USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 851 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 151 THR OG1 : rot 130:sc= 0.23 USER MOD Set 1.2: A 155 MET CE :methyl -107:sc= -1.63 (180deg=-2.96) USER MOD Set 2.1: A 141 GLN : amide:sc= 0.303 K(o=1.2,f=0.16) USER MOD Set 2.2: A 147 TYR OH : rot 70:sc= 0.855 USER MOD Set 3.1: A 80 HIS : no HD1:sc= -0.322 K(o=-0.58,f=-1.3) USER MOD Set 3.2: A 104 THR OG1 : rot 180:sc= -0.262 USER MOD Set 4.1: A 84 GLN : amide:sc= 0.0766 K(o=0.16,f=-0.96) USER MOD Set 4.2: A 180 SER OG : rot -170:sc= 0.0811 USER MOD Single : A 76 GLN : amide:sc= -4.99! C(o=-5!,f=-15!) USER MOD Single : A 77 SER OG : rot -101:sc= 1.27 USER MOD Single : A 82 SER OG : rot 60:sc= 0.121 USER MOD Single : A 85 THR OG1 : rot 120:sc= 0.941 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 CYS SG : rot 180:sc= 0.0658 USER MOD Single : A 93 SER OG : rot 180:sc= 0.0164 USER MOD Single : A 103 ASN : amide:sc= -2.78! C(o=-2.8!,f=-6.5!) USER MOD Single : A 107 LYS NZ :NH3+ 161:sc= -0.0922 (180deg=-0.408) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ -166:sc= -0.0473 (180deg=-0.31) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 170:sc=-0.00159 (180deg=-0.088) USER MOD Single : A 118 HIS : no HD1:sc= -4.08! C(o=-4.1!,f=-6.6!) USER MOD Single : A 119 LYS NZ :NH3+ 162:sc= -0.102 (180deg=-0.49) USER MOD Single : A 122 ASN : amide:sc= -0.161 K(o=-0.16,f=-8.3!) USER MOD Single : A 125 LYS NZ :NH3+ -165:sc= -0.0729 (180deg=-0.329) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 135 LYS NZ :NH3+ 167:sc= -0.0391 (180deg=-0.222) USER MOD Single : A 139 SER OG : rot -120:sc= -0.0149 USER MOD Single : A 140 ASN : amide:sc= 0.979 K(o=0.98,f=-0.74) USER MOD Single : A 145 SER OG : rot 72:sc= 1.22 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 LYS NZ :NH3+ 165:sc= -0.0285 (180deg=-0.288) USER MOD Single : A 160 TYR OH : rot 180:sc= 1.27 USER MOD Single : A 163 LYS NZ :NH3+ -163:sc= 1.66 (180deg=1.13) USER MOD Single : A 165 TYR OH : rot 150:sc= -1.08 USER MOD Single : A 166 LYS NZ :NH3+ -132:sc= 1.05 (180deg=-0.00513) USER MOD Single : A 170 TYR OH : rot 180:sc= 0 USER MOD Single : A 176 THR OG1 : rot 30:sc= 0.343 USER MOD Single : A 183 MET CE :methyl -174:sc= -1.39 (180deg=-1.87) USER MOD ----------------------------------------------------------------- ATOM 49 N ASP A 75 20.372 -0.361 -0.846 1.00 0.79 N ATOM 50 CA ASP A 75 19.647 -1.559 -1.260 1.00 0.78 C ATOM 51 C ASP A 75 18.140 -1.337 -1.258 1.00 0.67 C ATOM 52 O ASP A 75 17.411 -2.004 -1.976 1.00 0.92 O ATOM 53 CB ASP A 75 19.980 -2.733 -0.332 1.00 0.92 C ATOM 54 CG ASP A 75 21.432 -3.153 -0.396 1.00 1.37 C ATOM 55 OD1 ASP A 75 21.755 -4.078 -1.170 1.00 2.01 O ATOM 56 OD2 ASP A 75 22.257 -2.567 0.335 1.00 1.86 O ATOM 0 HA ASP A 75 19.962 -1.788 -2.278 1.00 0.78 H new ATOM 0 HB2 ASP A 75 19.733 -2.458 0.693 1.00 0.92 H new ATOM 0 HB3 ASP A 75 19.351 -3.584 -0.594 1.00 0.92 H new ATOM 61 N GLN A 76 17.676 -0.384 -0.467 1.00 0.59 N ATOM 62 CA GLN A 76 16.241 -0.216 -0.237 1.00 0.77 C ATOM 63 C GLN A 76 15.628 0.758 -1.236 1.00 0.69 C ATOM 64 O GLN A 76 14.512 1.218 -1.047 1.00 0.94 O ATOM 65 CB GLN A 76 15.982 0.308 1.175 1.00 1.07 C ATOM 66 CG GLN A 76 16.892 -0.277 2.242 1.00 1.21 C ATOM 67 CD GLN A 76 16.808 -1.782 2.328 1.00 1.75 C ATOM 68 OE1 GLN A 76 17.578 -2.495 1.702 1.00 2.30 O ATOM 69 NE2 GLN A 76 15.882 -2.278 3.120 1.00 2.36 N ATOM 0 H GLN A 76 18.265 0.286 0.028 1.00 0.59 H new ATOM 0 HA GLN A 76 15.779 -1.195 -0.363 1.00 0.77 H new ATOM 0 HB2 GLN A 76 16.096 1.392 1.173 1.00 1.07 H new ATOM 0 HB3 GLN A 76 14.947 0.097 1.443 1.00 1.07 H new ATOM 0 HG2 GLN A 76 17.922 0.013 2.032 1.00 1.21 H new ATOM 0 HG3 GLN A 76 16.631 0.152 3.209 1.00 1.21 H new ATOM 0 HE21 GLN A 76 15.256 -1.652 3.627 1.00 2.36 H new ATOM 0 HE22 GLN A 76 15.790 -3.288 3.227 1.00 2.36 H new ATOM 78 N SER A 77 16.371 1.083 -2.272 1.00 0.51 N ATOM 79 CA SER A 77 16.018 2.174 -3.169 1.00 0.56 C ATOM 80 C SER A 77 14.650 2.017 -3.849 1.00 0.43 C ATOM 81 O SER A 77 13.866 2.969 -3.880 1.00 0.54 O ATOM 82 CB SER A 77 17.105 2.335 -4.235 1.00 0.80 C ATOM 83 OG SER A 77 16.775 3.363 -5.157 1.00 1.52 O ATOM 0 H SER A 77 17.236 0.603 -2.520 1.00 0.51 H new ATOM 0 HA SER A 77 15.944 3.065 -2.545 1.00 0.56 H new ATOM 0 HB2 SER A 77 18.056 2.565 -3.755 1.00 0.80 H new ATOM 0 HB3 SER A 77 17.237 1.394 -4.768 1.00 0.80 H new ATOM 0 HG SER A 77 16.430 2.963 -5.983 1.00 1.52 H new ATOM 89 N ASP A 78 14.343 0.835 -4.372 1.00 0.35 N ATOM 90 CA ASP A 78 13.295 0.737 -5.391 1.00 0.38 C ATOM 91 C ASP A 78 12.216 -0.308 -5.111 1.00 0.33 C ATOM 92 O ASP A 78 11.787 -1.013 -6.026 1.00 0.42 O ATOM 93 CB ASP A 78 13.921 0.499 -6.768 1.00 0.51 C ATOM 94 CG ASP A 78 14.441 1.779 -7.391 1.00 0.94 C ATOM 95 OD1 ASP A 78 13.642 2.499 -8.026 1.00 1.66 O ATOM 96 OD2 ASP A 78 15.647 2.079 -7.240 1.00 1.66 O ATOM 0 H ASP A 78 14.788 -0.047 -4.119 1.00 0.35 H new ATOM 0 HA ASP A 78 12.776 1.695 -5.366 1.00 0.38 H new ATOM 0 HB2 ASP A 78 14.739 -0.216 -6.675 1.00 0.51 H new ATOM 0 HB3 ASP A 78 13.180 0.050 -7.429 1.00 0.51 H new ATOM 101 N LEU A 79 11.790 -0.434 -3.865 1.00 0.26 N ATOM 102 CA LEU A 79 10.620 -1.260 -3.556 1.00 0.26 C ATOM 103 C LEU A 79 9.361 -0.593 -4.111 1.00 0.30 C ATOM 104 O LEU A 79 8.903 0.416 -3.580 1.00 0.51 O ATOM 105 CB LEU A 79 10.466 -1.479 -2.043 1.00 0.28 C ATOM 106 CG LEU A 79 11.292 -2.619 -1.432 1.00 0.28 C ATOM 107 CD1 LEU A 79 10.909 -3.952 -2.051 1.00 0.29 C ATOM 108 CD2 LEU A 79 12.783 -2.363 -1.585 1.00 0.30 C ATOM 0 H LEU A 79 12.224 0.015 -3.058 1.00 0.26 H new ATOM 0 HA LEU A 79 10.762 -2.235 -4.023 1.00 0.26 H new ATOM 0 HB2 LEU A 79 10.733 -0.553 -1.535 1.00 0.28 H new ATOM 0 HB3 LEU A 79 9.414 -1.667 -1.830 1.00 0.28 H new ATOM 0 HG LEU A 79 11.068 -2.658 -0.366 1.00 0.28 H new ATOM 0 HD11 LEU A 79 11.507 -4.746 -1.603 1.00 0.29 H new ATOM 0 HD12 LEU A 79 9.852 -4.147 -1.870 1.00 0.29 H new ATOM 0 HD13 LEU A 79 11.093 -3.921 -3.125 1.00 0.29 H new ATOM 0 HD21 LEU A 79 13.341 -3.188 -1.142 1.00 0.30 H new ATOM 0 HD22 LEU A 79 13.032 -2.283 -2.643 1.00 0.30 H new ATOM 0 HD23 LEU A 79 13.046 -1.434 -1.079 1.00 0.30 H new ATOM 120 N HIS A 80 8.814 -1.145 -5.187 1.00 0.21 N ATOM 121 CA HIS A 80 7.665 -0.533 -5.848 1.00 0.25 C ATOM 122 C HIS A 80 6.417 -1.367 -5.628 1.00 0.22 C ATOM 123 O HIS A 80 6.444 -2.586 -5.802 1.00 0.23 O ATOM 124 CB HIS A 80 7.898 -0.398 -7.359 1.00 0.33 C ATOM 125 CG HIS A 80 9.166 0.299 -7.747 1.00 1.03 C ATOM 126 ND1 HIS A 80 10.022 -0.196 -8.707 1.00 1.94 N ATOM 127 CD2 HIS A 80 9.714 1.461 -7.321 1.00 1.86 C ATOM 128 CE1 HIS A 80 11.041 0.627 -8.854 1.00 2.58 C ATOM 129 NE2 HIS A 80 10.879 1.638 -8.027 1.00 2.50 N ATOM 0 H HIS A 80 9.143 -2.008 -5.619 1.00 0.21 H new ATOM 0 HA HIS A 80 7.534 0.458 -5.413 1.00 0.25 H new ATOM 0 HB2 HIS A 80 7.900 -1.394 -7.801 1.00 0.33 H new ATOM 0 HB3 HIS A 80 7.057 0.142 -7.794 1.00 0.33 H new ATOM 0 HD2 HIS A 80 9.312 2.123 -6.569 1.00 1.86 H new ATOM 0 HE1 HIS A 80 11.868 0.494 -9.536 1.00 2.58 H new ATOM 0 HE2 HIS A 80 11.517 2.427 -7.926 1.00 2.50 H new ATOM 138 N ILE A 81 5.326 -0.715 -5.248 1.00 0.23 N ATOM 139 CA ILE A 81 4.037 -1.389 -5.154 1.00 0.23 C ATOM 140 C ILE A 81 3.625 -1.873 -6.540 1.00 0.26 C ATOM 141 O ILE A 81 3.279 -1.070 -7.408 1.00 0.36 O ATOM 142 CB ILE A 81 2.939 -0.465 -4.587 1.00 0.24 C ATOM 143 CG1 ILE A 81 3.317 0.030 -3.186 1.00 0.23 C ATOM 144 CG2 ILE A 81 1.604 -1.201 -4.550 1.00 0.28 C ATOM 145 CD1 ILE A 81 2.332 1.026 -2.614 1.00 0.27 C ATOM 0 H ILE A 81 5.307 0.274 -5.001 1.00 0.23 H new ATOM 0 HA ILE A 81 4.147 -2.230 -4.469 1.00 0.23 H new ATOM 0 HB ILE A 81 2.844 0.403 -5.240 1.00 0.24 H new ATOM 0 HG12 ILE A 81 3.389 -0.825 -2.514 1.00 0.23 H new ATOM 0 HG13 ILE A 81 4.305 0.489 -3.225 1.00 0.23 H new ATOM 0 HG21 ILE A 81 0.835 -0.541 -4.148 1.00 0.28 H new ATOM 0 HG22 ILE A 81 1.329 -1.506 -5.560 1.00 0.28 H new ATOM 0 HG23 ILE A 81 1.692 -2.083 -3.916 1.00 0.28 H new ATOM 0 HD11 ILE A 81 2.661 1.334 -1.622 1.00 0.27 H new ATOM 0 HD12 ILE A 81 2.277 1.898 -3.265 1.00 0.27 H new ATOM 0 HD13 ILE A 81 1.347 0.564 -2.543 1.00 0.27 H new ATOM 157 N SER A 82 3.682 -3.177 -6.749 1.00 0.25 N ATOM 158 CA SER A 82 3.469 -3.742 -8.073 1.00 0.29 C ATOM 159 C SER A 82 2.132 -4.474 -8.165 1.00 0.33 C ATOM 160 O SER A 82 1.620 -4.715 -9.260 1.00 0.43 O ATOM 161 CB SER A 82 4.621 -4.686 -8.415 1.00 0.32 C ATOM 162 OG SER A 82 5.865 -4.022 -8.257 1.00 1.10 O ATOM 0 H SER A 82 3.874 -3.865 -6.021 1.00 0.25 H new ATOM 0 HA SER A 82 3.441 -2.925 -8.794 1.00 0.29 H new ATOM 0 HB2 SER A 82 4.585 -5.564 -7.770 1.00 0.32 H new ATOM 0 HB3 SER A 82 4.518 -5.040 -9.441 1.00 0.32 H new ATOM 0 HG SER A 82 5.963 -3.727 -7.328 1.00 1.10 H new ATOM 168 N ASP A 83 1.567 -4.818 -7.017 1.00 0.33 N ATOM 169 CA ASP A 83 0.280 -5.502 -6.974 1.00 0.38 C ATOM 170 C ASP A 83 -0.390 -5.220 -5.643 1.00 0.30 C ATOM 171 O ASP A 83 0.247 -4.696 -4.730 1.00 0.27 O ATOM 172 CB ASP A 83 0.455 -7.015 -7.178 1.00 0.46 C ATOM 173 CG ASP A 83 -0.856 -7.729 -7.449 1.00 1.27 C ATOM 174 OD1 ASP A 83 -1.349 -7.658 -8.595 1.00 2.07 O ATOM 175 OD2 ASP A 83 -1.396 -8.372 -6.528 1.00 1.90 O ATOM 0 H ASP A 83 1.979 -4.635 -6.102 1.00 0.33 H new ATOM 0 HA ASP A 83 -0.348 -5.129 -7.783 1.00 0.38 H new ATOM 0 HB2 ASP A 83 1.136 -7.188 -8.011 1.00 0.46 H new ATOM 0 HB3 ASP A 83 0.921 -7.445 -6.291 1.00 0.46 H new ATOM 180 N GLN A 84 -1.666 -5.545 -5.537 1.00 0.31 N ATOM 181 CA GLN A 84 -2.421 -5.306 -4.324 1.00 0.35 C ATOM 182 C GLN A 84 -3.754 -6.026 -4.389 1.00 0.34 C ATOM 183 O GLN A 84 -3.997 -6.800 -5.316 1.00 0.39 O ATOM 184 CB GLN A 84 -2.648 -3.801 -4.097 1.00 0.49 C ATOM 185 CG GLN A 84 -3.539 -3.122 -5.134 1.00 0.64 C ATOM 186 CD GLN A 84 -2.883 -2.976 -6.494 1.00 1.32 C ATOM 187 OE1 GLN A 84 -3.042 -3.822 -7.377 1.00 2.14 O ATOM 188 NE2 GLN A 84 -2.113 -1.914 -6.659 1.00 1.98 N ATOM 0 H GLN A 84 -2.204 -5.980 -6.286 1.00 0.31 H new ATOM 0 HA GLN A 84 -1.842 -5.693 -3.485 1.00 0.35 H new ATOM 0 HB2 GLN A 84 -3.090 -3.660 -3.111 1.00 0.49 H new ATOM 0 HB3 GLN A 84 -1.680 -3.300 -4.087 1.00 0.49 H new ATOM 0 HG2 GLN A 84 -4.459 -3.697 -5.243 1.00 0.64 H new ATOM 0 HG3 GLN A 84 -3.821 -2.135 -4.768 1.00 0.64 H new ATOM 0 HE21 GLN A 84 -2.008 -1.238 -5.903 1.00 1.98 H new ATOM 0 HE22 GLN A 84 -1.624 -1.771 -7.542 1.00 1.98 H new ATOM 197 N THR A 85 -4.595 -5.783 -3.389 1.00 0.34 N ATOM 198 CA THR A 85 -5.948 -6.315 -3.345 1.00 0.39 C ATOM 199 C THR A 85 -6.617 -6.249 -4.715 1.00 0.50 C ATOM 200 O THR A 85 -6.640 -5.194 -5.356 1.00 0.54 O ATOM 201 CB THR A 85 -6.789 -5.512 -2.341 1.00 0.32 C ATOM 202 OG1 THR A 85 -6.107 -5.451 -1.084 1.00 0.43 O ATOM 203 CG2 THR A 85 -8.163 -6.129 -2.152 1.00 0.42 C ATOM 0 H THR A 85 -4.353 -5.208 -2.582 1.00 0.34 H new ATOM 0 HA THR A 85 -5.886 -7.359 -3.037 1.00 0.39 H new ATOM 0 HB THR A 85 -6.924 -4.506 -2.737 1.00 0.32 H new ATOM 0 HG1 THR A 85 -5.930 -4.515 -0.853 1.00 0.43 H new ATOM 0 HG21 THR A 85 -8.732 -5.537 -1.436 1.00 0.42 H new ATOM 0 HG22 THR A 85 -8.688 -6.147 -3.107 1.00 0.42 H new ATOM 0 HG23 THR A 85 -8.056 -7.147 -1.778 1.00 0.42 H new ATOM 211 N ASP A 86 -7.145 -7.377 -5.168 1.00 0.69 N ATOM 212 CA ASP A 86 -7.777 -7.439 -6.472 1.00 0.89 C ATOM 213 C ASP A 86 -9.073 -6.634 -6.461 1.00 0.83 C ATOM 214 O ASP A 86 -10.041 -6.975 -5.782 1.00 1.12 O ATOM 215 CB ASP A 86 -8.011 -8.897 -6.910 1.00 1.20 C ATOM 216 CG ASP A 86 -8.999 -9.666 -6.050 1.00 1.67 C ATOM 217 OD1 ASP A 86 -10.068 -10.053 -6.575 1.00 2.32 O ATOM 218 OD2 ASP A 86 -8.702 -9.908 -4.860 1.00 2.23 O ATOM 0 H ASP A 86 -7.147 -8.257 -4.652 1.00 0.69 H new ATOM 0 HA ASP A 86 -7.108 -6.994 -7.208 1.00 0.89 H new ATOM 0 HB2 ASP A 86 -8.367 -8.900 -7.940 1.00 1.20 H new ATOM 0 HB3 ASP A 86 -7.056 -9.423 -6.901 1.00 1.20 H new ATOM 223 N THR A 87 -9.051 -5.526 -7.185 1.00 0.72 N ATOM 224 CA THR A 87 -10.172 -4.607 -7.226 1.00 0.74 C ATOM 225 C THR A 87 -11.317 -5.185 -8.054 1.00 0.81 C ATOM 226 O THR A 87 -12.454 -5.247 -7.580 1.00 1.42 O ATOM 227 CB THR A 87 -9.729 -3.255 -7.812 1.00 1.14 C ATOM 228 OG1 THR A 87 -8.616 -2.743 -7.062 1.00 1.36 O ATOM 229 CG2 THR A 87 -10.866 -2.250 -7.789 1.00 1.87 C ATOM 0 H THR A 87 -8.257 -5.241 -7.758 1.00 0.72 H new ATOM 0 HA THR A 87 -10.526 -4.455 -6.206 1.00 0.74 H new ATOM 0 HB THR A 87 -9.433 -3.413 -8.849 1.00 1.14 H new ATOM 0 HG1 THR A 87 -8.335 -1.883 -7.439 1.00 1.36 H new ATOM 0 HG21 THR A 87 -10.524 -1.304 -8.209 1.00 1.87 H new ATOM 0 HG22 THR A 87 -11.699 -2.630 -8.381 1.00 1.87 H new ATOM 0 HG23 THR A 87 -11.193 -2.094 -6.761 1.00 1.87 H new ATOM 280 N VAL A 91 -15.130 -3.932 -5.273 1.00 0.65 N ATOM 281 CA VAL A 91 -14.894 -4.945 -4.262 1.00 0.77 C ATOM 282 C VAL A 91 -16.078 -4.988 -3.301 1.00 0.55 C ATOM 283 O VAL A 91 -16.756 -3.984 -3.095 1.00 0.46 O ATOM 284 CB VAL A 91 -13.588 -4.671 -3.481 1.00 1.02 C ATOM 285 CG1 VAL A 91 -13.254 -5.827 -2.552 1.00 1.43 C ATOM 286 CG2 VAL A 91 -12.435 -4.414 -4.437 1.00 1.51 C ATOM 0 HA VAL A 91 -14.787 -5.909 -4.760 1.00 0.77 H new ATOM 0 HB VAL A 91 -13.743 -3.779 -2.874 1.00 1.02 H new ATOM 0 HG11 VAL A 91 -12.331 -5.608 -2.015 1.00 1.43 H new ATOM 0 HG12 VAL A 91 -14.065 -5.965 -1.837 1.00 1.43 H new ATOM 0 HG13 VAL A 91 -13.126 -6.738 -3.136 1.00 1.43 H new ATOM 0 HG21 VAL A 91 -11.526 -4.223 -3.867 1.00 1.51 H new ATOM 0 HG22 VAL A 91 -12.288 -5.287 -5.073 1.00 1.51 H new ATOM 0 HG23 VAL A 91 -12.663 -3.547 -5.057 1.00 1.51 H new ATOM 296 N CYS A 92 -16.322 -6.154 -2.729 1.00 0.79 N ATOM 297 CA CYS A 92 -17.478 -6.375 -1.881 1.00 0.64 C ATOM 298 C CYS A 92 -17.136 -6.185 -0.401 1.00 0.62 C ATOM 299 O CYS A 92 -16.064 -5.676 -0.067 1.00 1.20 O ATOM 300 CB CYS A 92 -18.037 -7.775 -2.137 1.00 1.10 C ATOM 301 SG CYS A 92 -16.834 -9.104 -1.925 1.00 1.91 S ATOM 0 H CYS A 92 -15.724 -6.973 -2.840 1.00 0.79 H new ATOM 0 HA CYS A 92 -18.237 -5.634 -2.130 1.00 0.64 H new ATOM 0 HB2 CYS A 92 -18.875 -7.948 -1.462 1.00 1.10 H new ATOM 0 HB3 CYS A 92 -18.432 -7.816 -3.152 1.00 1.10 H new ATOM 0 HG CYS A 92 -17.405 -10.248 -2.162 1.00 1.91 H new ATOM 307 N SER A 93 -18.091 -6.560 0.454 1.00 0.69 N ATOM 308 CA SER A 93 -18.017 -6.425 1.918 1.00 1.02 C ATOM 309 C SER A 93 -16.621 -6.687 2.523 1.00 0.58 C ATOM 310 O SER A 93 -15.788 -7.354 1.907 1.00 0.73 O ATOM 311 CB SER A 93 -19.028 -7.393 2.535 1.00 1.83 C ATOM 312 OG SER A 93 -20.321 -7.185 1.991 1.00 2.58 O ATOM 0 H SER A 93 -18.966 -6.980 0.140 1.00 0.69 H new ATOM 0 HA SER A 93 -18.242 -5.384 2.150 1.00 1.02 H new ATOM 0 HB2 SER A 93 -18.713 -8.420 2.353 1.00 1.83 H new ATOM 0 HB3 SER A 93 -19.057 -7.256 3.616 1.00 1.83 H new ATOM 0 HG SER A 93 -20.952 -7.815 2.397 1.00 2.58 H new ATOM 318 N PRO A 94 -16.386 -6.169 3.763 1.00 0.78 N ATOM 319 CA PRO A 94 -15.130 -6.250 4.516 1.00 0.67 C ATOM 320 C PRO A 94 -14.184 -7.381 4.110 1.00 0.53 C ATOM 321 O PRO A 94 -14.580 -8.546 3.984 1.00 0.59 O ATOM 322 CB PRO A 94 -15.635 -6.464 5.947 1.00 0.93 C ATOM 323 CG PRO A 94 -17.031 -5.896 5.977 1.00 1.39 C ATOM 324 CD PRO A 94 -17.355 -5.432 4.575 1.00 1.43 C ATOM 0 HA PRO A 94 -14.519 -5.363 4.349 1.00 0.67 H new ATOM 0 HB2 PRO A 94 -15.638 -7.523 6.207 1.00 0.93 H new ATOM 0 HB3 PRO A 94 -14.992 -5.960 6.668 1.00 0.93 H new ATOM 0 HG2 PRO A 94 -17.746 -6.649 6.308 1.00 1.39 H new ATOM 0 HG3 PRO A 94 -17.094 -5.066 6.681 1.00 1.39 H new ATOM 0 HD2 PRO A 94 -18.382 -5.670 4.296 1.00 1.43 H new ATOM 0 HD3 PRO A 94 -17.237 -4.354 4.467 1.00 1.43 H new ATOM 332 N PHE A 95 -12.922 -7.018 3.939 1.00 0.43 N ATOM 333 CA PHE A 95 -11.902 -7.935 3.468 1.00 0.40 C ATOM 334 C PHE A 95 -10.538 -7.472 3.974 1.00 0.33 C ATOM 335 O PHE A 95 -10.346 -6.286 4.245 1.00 0.32 O ATOM 336 CB PHE A 95 -11.934 -7.966 1.933 1.00 0.46 C ATOM 337 CG PHE A 95 -10.981 -8.943 1.295 1.00 0.50 C ATOM 338 CD1 PHE A 95 -11.203 -10.308 1.382 1.00 1.26 C ATOM 339 CD2 PHE A 95 -9.869 -8.494 0.598 1.00 1.35 C ATOM 340 CE1 PHE A 95 -10.333 -11.203 0.790 1.00 1.33 C ATOM 341 CE2 PHE A 95 -8.997 -9.386 0.006 1.00 1.36 C ATOM 342 CZ PHE A 95 -9.228 -10.741 0.103 1.00 0.68 C ATOM 0 H PHE A 95 -12.578 -6.076 4.124 1.00 0.43 H new ATOM 0 HA PHE A 95 -12.088 -8.941 3.845 1.00 0.40 H new ATOM 0 HB2 PHE A 95 -12.947 -8.207 1.611 1.00 0.46 H new ATOM 0 HB3 PHE A 95 -11.710 -6.967 1.560 1.00 0.46 H new ATOM 0 HD1 PHE A 95 -12.065 -10.676 1.918 1.00 1.26 H new ATOM 0 HD2 PHE A 95 -9.683 -7.433 0.517 1.00 1.35 H new ATOM 0 HE1 PHE A 95 -10.517 -12.265 0.865 1.00 1.33 H new ATOM 0 HE2 PHE A 95 -8.135 -9.022 -0.533 1.00 1.36 H new ATOM 0 HZ PHE A 95 -8.546 -11.440 -0.358 1.00 0.68 H new ATOM 352 N ALA A 96 -9.613 -8.408 4.139 1.00 0.37 N ATOM 353 CA ALA A 96 -8.254 -8.078 4.534 1.00 0.38 C ATOM 354 C ALA A 96 -7.442 -7.663 3.316 1.00 0.35 C ATOM 355 O ALA A 96 -7.081 -8.491 2.481 1.00 0.51 O ATOM 356 CB ALA A 96 -7.601 -9.254 5.242 1.00 0.49 C ATOM 0 H ALA A 96 -9.782 -9.405 4.004 1.00 0.37 H new ATOM 0 HA ALA A 96 -8.286 -7.241 5.231 1.00 0.38 H new ATOM 0 HB1 ALA A 96 -6.584 -8.987 5.530 1.00 0.49 H new ATOM 0 HB2 ALA A 96 -8.176 -9.507 6.133 1.00 0.49 H new ATOM 0 HB3 ALA A 96 -7.574 -10.113 4.572 1.00 0.49 H new ATOM 362 N LEU A 97 -7.164 -6.376 3.227 1.00 0.24 N ATOM 363 CA LEU A 97 -6.517 -5.801 2.057 1.00 0.22 C ATOM 364 C LEU A 97 -5.012 -6.004 2.112 1.00 0.22 C ATOM 365 O LEU A 97 -4.413 -5.990 3.185 1.00 0.24 O ATOM 366 CB LEU A 97 -6.855 -4.309 1.949 1.00 0.23 C ATOM 367 CG LEU A 97 -8.127 -3.974 1.155 1.00 0.46 C ATOM 368 CD1 LEU A 97 -9.264 -4.916 1.507 1.00 1.40 C ATOM 369 CD2 LEU A 97 -8.549 -2.539 1.416 1.00 1.07 C ATOM 0 H LEU A 97 -7.378 -5.700 3.960 1.00 0.24 H new ATOM 0 HA LEU A 97 -6.892 -6.313 1.171 1.00 0.22 H new ATOM 0 HB2 LEU A 97 -6.959 -3.904 2.956 1.00 0.23 H new ATOM 0 HB3 LEU A 97 -6.013 -3.796 1.485 1.00 0.23 H new ATOM 0 HG LEU A 97 -7.898 -4.096 0.096 1.00 0.46 H new ATOM 0 HD11 LEU A 97 -10.148 -4.651 0.928 1.00 1.40 H new ATOM 0 HD12 LEU A 97 -8.972 -5.941 1.276 1.00 1.40 H new ATOM 0 HD13 LEU A 97 -9.489 -4.834 2.570 1.00 1.40 H new ATOM 0 HD21 LEU A 97 -9.451 -2.316 0.847 1.00 1.07 H new ATOM 0 HD22 LEU A 97 -8.748 -2.406 2.479 1.00 1.07 H new ATOM 0 HD23 LEU A 97 -7.750 -1.863 1.109 1.00 1.07 H new ATOM 381 N PHE A 98 -4.409 -6.193 0.950 1.00 0.23 N ATOM 382 CA PHE A 98 -2.983 -6.445 0.863 1.00 0.23 C ATOM 383 C PHE A 98 -2.351 -5.647 -0.265 1.00 0.22 C ATOM 384 O PHE A 98 -3.046 -5.145 -1.152 1.00 0.25 O ATOM 385 CB PHE A 98 -2.718 -7.944 0.664 1.00 0.24 C ATOM 386 CG PHE A 98 -3.468 -8.555 -0.492 1.00 0.26 C ATOM 387 CD1 PHE A 98 -2.918 -8.582 -1.765 1.00 1.26 C ATOM 388 CD2 PHE A 98 -4.726 -9.111 -0.298 1.00 1.18 C ATOM 389 CE1 PHE A 98 -3.608 -9.151 -2.820 1.00 1.31 C ATOM 390 CE2 PHE A 98 -5.418 -9.678 -1.350 1.00 1.17 C ATOM 391 CZ PHE A 98 -4.859 -9.697 -2.611 1.00 0.40 C ATOM 0 H PHE A 98 -4.889 -6.176 0.050 1.00 0.23 H new ATOM 0 HA PHE A 98 -2.528 -6.125 1.800 1.00 0.23 H new ATOM 0 HB2 PHE A 98 -1.650 -8.096 0.510 1.00 0.24 H new ATOM 0 HB3 PHE A 98 -2.987 -8.474 1.578 1.00 0.24 H new ATOM 0 HD1 PHE A 98 -1.941 -8.154 -1.934 1.00 1.26 H new ATOM 0 HD2 PHE A 98 -5.168 -9.100 0.687 1.00 1.18 H new ATOM 0 HE1 PHE A 98 -3.169 -9.168 -3.806 1.00 1.31 H new ATOM 0 HE2 PHE A 98 -6.396 -10.106 -1.186 1.00 1.17 H new ATOM 0 HZ PHE A 98 -5.400 -10.139 -3.435 1.00 0.40 H new ATOM 401 N ALA A 99 -1.037 -5.521 -0.203 1.00 0.20 N ATOM 402 CA ALA A 99 -0.263 -4.872 -1.246 1.00 0.19 C ATOM 403 C ALA A 99 1.070 -5.581 -1.404 1.00 0.17 C ATOM 404 O ALA A 99 1.657 -6.036 -0.425 1.00 0.19 O ATOM 405 CB ALA A 99 -0.048 -3.400 -0.935 1.00 0.21 C ATOM 0 H ALA A 99 -0.475 -5.867 0.575 1.00 0.20 H new ATOM 0 HA ALA A 99 -0.819 -4.934 -2.182 1.00 0.19 H new ATOM 0 HB1 ALA A 99 0.535 -2.941 -1.734 1.00 0.21 H new ATOM 0 HB2 ALA A 99 -1.013 -2.900 -0.856 1.00 0.21 H new ATOM 0 HB3 ALA A 99 0.489 -3.302 0.008 1.00 0.21 H new ATOM 411 N VAL A 100 1.534 -5.689 -2.631 1.00 0.17 N ATOM 412 CA VAL A 100 2.777 -6.377 -2.917 1.00 0.18 C ATOM 413 C VAL A 100 3.806 -5.408 -3.482 1.00 0.19 C ATOM 414 O VAL A 100 3.562 -4.737 -4.489 1.00 0.22 O ATOM 415 CB VAL A 100 2.558 -7.530 -3.915 1.00 0.23 C ATOM 416 CG1 VAL A 100 3.858 -8.265 -4.193 1.00 0.26 C ATOM 417 CG2 VAL A 100 1.498 -8.491 -3.398 1.00 0.25 C ATOM 0 H VAL A 100 1.066 -5.306 -3.452 1.00 0.17 H new ATOM 0 HA VAL A 100 3.147 -6.791 -1.979 1.00 0.18 H new ATOM 0 HB VAL A 100 2.207 -7.102 -4.854 1.00 0.23 H new ATOM 0 HG11 VAL A 100 3.675 -9.074 -4.900 1.00 0.26 H new ATOM 0 HG12 VAL A 100 4.585 -7.571 -4.615 1.00 0.26 H new ATOM 0 HG13 VAL A 100 4.248 -8.678 -3.263 1.00 0.26 H new ATOM 0 HG21 VAL A 100 1.357 -9.298 -4.117 1.00 0.25 H new ATOM 0 HG22 VAL A 100 1.819 -8.907 -2.443 1.00 0.25 H new ATOM 0 HG23 VAL A 100 0.557 -7.957 -3.264 1.00 0.25 H new ATOM 427 N LEU A 101 4.953 -5.342 -2.831 1.00 0.19 N ATOM 428 CA LEU A 101 6.039 -4.491 -3.272 1.00 0.19 C ATOM 429 C LEU A 101 7.126 -5.347 -3.889 1.00 0.21 C ATOM 430 O LEU A 101 7.645 -6.266 -3.256 1.00 0.23 O ATOM 431 CB LEU A 101 6.631 -3.669 -2.118 1.00 0.19 C ATOM 432 CG LEU A 101 5.674 -2.690 -1.429 1.00 0.22 C ATOM 433 CD1 LEU A 101 4.817 -3.404 -0.392 1.00 0.30 C ATOM 434 CD2 LEU A 101 6.458 -1.551 -0.792 1.00 0.21 C ATOM 0 H LEU A 101 5.156 -5.875 -1.985 1.00 0.19 H new ATOM 0 HA LEU A 101 5.639 -3.792 -4.007 1.00 0.19 H new ATOM 0 HB2 LEU A 101 7.016 -4.359 -1.367 1.00 0.19 H new ATOM 0 HB3 LEU A 101 7.483 -3.106 -2.499 1.00 0.19 H new ATOM 0 HG LEU A 101 5.005 -2.273 -2.182 1.00 0.22 H new ATOM 0 HD11 LEU A 101 4.147 -2.687 0.082 1.00 0.30 H new ATOM 0 HD12 LEU A 101 4.230 -4.182 -0.879 1.00 0.30 H new ATOM 0 HD13 LEU A 101 5.460 -3.854 0.364 1.00 0.30 H new ATOM 0 HD21 LEU A 101 5.768 -0.862 -0.306 1.00 0.21 H new ATOM 0 HD22 LEU A 101 7.150 -1.954 -0.052 1.00 0.21 H new ATOM 0 HD23 LEU A 101 7.019 -1.020 -1.561 1.00 0.21 H new ATOM 446 N GLU A 102 7.459 -5.055 -5.124 1.00 0.24 N ATOM 447 CA GLU A 102 8.481 -5.799 -5.822 1.00 0.29 C ATOM 448 C GLU A 102 9.750 -4.972 -5.896 1.00 0.28 C ATOM 449 O GLU A 102 9.705 -3.779 -6.212 1.00 0.26 O ATOM 450 CB GLU A 102 8.008 -6.164 -7.230 1.00 0.34 C ATOM 451 CG GLU A 102 8.992 -7.032 -7.991 1.00 0.41 C ATOM 452 CD GLU A 102 8.557 -7.291 -9.414 1.00 0.53 C ATOM 453 OE1 GLU A 102 7.960 -8.354 -9.673 1.00 1.32 O ATOM 454 OE2 GLU A 102 8.822 -6.436 -10.285 1.00 0.95 O ATOM 0 H GLU A 102 7.035 -4.304 -5.668 1.00 0.24 H new ATOM 0 HA GLU A 102 8.683 -6.721 -5.277 1.00 0.29 H new ATOM 0 HB2 GLU A 102 7.053 -6.685 -7.161 1.00 0.34 H new ATOM 0 HB3 GLU A 102 7.831 -5.248 -7.794 1.00 0.34 H new ATOM 0 HG2 GLU A 102 9.969 -6.549 -7.996 1.00 0.41 H new ATOM 0 HG3 GLU A 102 9.109 -7.983 -7.472 1.00 0.41 H new ATOM 461 N ASN A 103 10.873 -5.588 -5.580 1.00 0.38 N ATOM 462 CA ASN A 103 12.147 -4.906 -5.680 1.00 0.44 C ATOM 463 C ASN A 103 12.741 -5.112 -7.061 1.00 0.37 C ATOM 464 O ASN A 103 12.911 -6.240 -7.518 1.00 0.51 O ATOM 465 CB ASN A 103 13.131 -5.379 -4.596 1.00 0.68 C ATOM 466 CG ASN A 103 13.369 -6.876 -4.591 1.00 0.87 C ATOM 467 OD1 ASN A 103 12.678 -7.619 -3.902 1.00 1.76 O ATOM 468 ND2 ASN A 103 14.363 -7.324 -5.342 1.00 1.64 N ATOM 0 H ASN A 103 10.929 -6.553 -5.254 1.00 0.38 H new ATOM 0 HA ASN A 103 11.971 -3.842 -5.521 1.00 0.44 H new ATOM 0 HB2 ASN A 103 14.084 -4.870 -4.738 1.00 0.68 H new ATOM 0 HB3 ASN A 103 12.752 -5.078 -3.619 1.00 0.68 H new ATOM 0 HD21 ASN A 103 14.578 -8.321 -5.362 1.00 1.64 H new ATOM 0 HD22 ASN A 103 14.914 -6.672 -5.901 1.00 1.64 H new ATOM 475 N THR A 104 13.029 -4.018 -7.740 1.00 0.34 N ATOM 476 CA THR A 104 13.698 -4.086 -9.026 1.00 0.38 C ATOM 477 C THR A 104 15.199 -4.253 -8.823 1.00 0.50 C ATOM 478 O THR A 104 15.998 -3.390 -9.189 1.00 0.70 O ATOM 479 CB THR A 104 13.405 -2.836 -9.872 1.00 0.55 C ATOM 480 OG1 THR A 104 13.538 -1.660 -9.064 1.00 0.77 O ATOM 481 CG2 THR A 104 12.002 -2.901 -10.455 1.00 0.73 C ATOM 0 H THR A 104 12.811 -3.073 -7.424 1.00 0.34 H new ATOM 0 HA THR A 104 13.314 -4.951 -9.567 1.00 0.38 H new ATOM 0 HB THR A 104 14.122 -2.797 -10.692 1.00 0.55 H new ATOM 0 HG1 THR A 104 13.352 -0.866 -9.608 1.00 0.77 H new ATOM 0 HG21 THR A 104 11.814 -2.008 -11.050 1.00 0.73 H new ATOM 0 HG22 THR A 104 11.911 -3.784 -11.087 1.00 0.73 H new ATOM 0 HG23 THR A 104 11.274 -2.958 -9.646 1.00 0.73 H new ATOM 489 N GLY A 105 15.563 -5.360 -8.189 1.00 0.52 N ATOM 490 CA GLY A 105 16.957 -5.636 -7.900 1.00 0.72 C ATOM 491 C GLY A 105 17.353 -5.160 -6.521 1.00 0.66 C ATOM 492 O GLY A 105 18.186 -5.774 -5.851 1.00 0.80 O ATOM 0 H GLY A 105 14.912 -6.077 -7.868 1.00 0.52 H new ATOM 0 HA2 GLY A 105 17.139 -6.708 -7.980 1.00 0.72 H new ATOM 0 HA3 GLY A 105 17.585 -5.150 -8.646 1.00 0.72 H new ATOM 496 N GLU A 106 16.731 -4.077 -6.092 1.00 0.60 N ATOM 497 CA GLU A 106 17.044 -3.450 -4.818 1.00 0.56 C ATOM 498 C GLU A 106 16.349 -4.182 -3.673 1.00 0.65 C ATOM 499 O GLU A 106 15.264 -3.796 -3.242 1.00 1.05 O ATOM 500 CB GLU A 106 16.617 -1.981 -4.859 1.00 0.68 C ATOM 501 CG GLU A 106 17.212 -1.205 -6.023 1.00 1.25 C ATOM 502 CD GLU A 106 18.720 -1.066 -5.941 1.00 1.91 C ATOM 503 OE1 GLU A 106 19.198 0.054 -5.676 1.00 2.54 O ATOM 504 OE2 GLU A 106 19.435 -2.068 -6.161 1.00 2.47 O ATOM 0 H GLU A 106 15.994 -3.606 -6.616 1.00 0.60 H new ATOM 0 HA GLU A 106 18.119 -3.506 -4.645 1.00 0.56 H new ATOM 0 HB2 GLU A 106 15.530 -1.929 -4.917 1.00 0.68 H new ATOM 0 HB3 GLU A 106 16.910 -1.500 -3.926 1.00 0.68 H new ATOM 0 HG2 GLU A 106 16.950 -1.704 -6.956 1.00 1.25 H new ATOM 0 HG3 GLU A 106 16.764 -0.212 -6.056 1.00 1.25 H new ATOM 511 N LYS A 107 16.981 -5.252 -3.209 1.00 0.61 N ATOM 512 CA LYS A 107 16.448 -6.081 -2.130 1.00 0.69 C ATOM 513 C LYS A 107 16.265 -5.296 -0.834 1.00 0.66 C ATOM 514 O LYS A 107 17.072 -4.432 -0.500 1.00 0.76 O ATOM 515 CB LYS A 107 17.394 -7.252 -1.856 1.00 0.86 C ATOM 516 CG LYS A 107 17.560 -8.222 -3.014 1.00 1.37 C ATOM 517 CD LYS A 107 16.271 -8.961 -3.322 1.00 1.80 C ATOM 518 CE LYS A 107 16.494 -10.055 -4.353 1.00 2.66 C ATOM 519 NZ LYS A 107 17.418 -11.110 -3.856 1.00 3.32 N ATOM 0 H LYS A 107 17.880 -5.572 -3.569 1.00 0.61 H new ATOM 0 HA LYS A 107 15.472 -6.439 -2.458 1.00 0.69 H new ATOM 0 HB2 LYS A 107 18.374 -6.855 -1.590 1.00 0.86 H new ATOM 0 HB3 LYS A 107 17.027 -7.802 -0.989 1.00 0.86 H new ATOM 0 HG2 LYS A 107 17.887 -7.677 -3.900 1.00 1.37 H new ATOM 0 HG3 LYS A 107 18.343 -8.942 -2.775 1.00 1.37 H new ATOM 0 HD2 LYS A 107 15.872 -9.397 -2.406 1.00 1.80 H new ATOM 0 HD3 LYS A 107 15.525 -8.257 -3.691 1.00 1.80 H new ATOM 0 HE2 LYS A 107 15.537 -10.506 -4.616 1.00 2.66 H new ATOM 0 HE3 LYS A 107 16.901 -9.617 -5.264 1.00 2.66 H new ATOM 0 HZ1 LYS A 107 17.299 -11.972 -4.426 1.00 3.32 H new ATOM 0 HZ2 LYS A 107 18.400 -10.776 -3.934 1.00 3.32 H new ATOM 0 HZ3 LYS A 107 17.202 -11.320 -2.861 1.00 3.32 H new ATOM 533 N LEU A 108 15.212 -5.633 -0.099 1.00 0.59 N ATOM 534 CA LEU A 108 14.968 -5.054 1.215 1.00 0.57 C ATOM 535 C LEU A 108 15.909 -5.724 2.217 1.00 0.63 C ATOM 536 O LEU A 108 15.623 -6.814 2.717 1.00 0.74 O ATOM 537 CB LEU A 108 13.493 -5.281 1.606 1.00 0.60 C ATOM 538 CG LEU A 108 12.907 -4.411 2.733 1.00 0.58 C ATOM 539 CD1 LEU A 108 13.582 -4.671 4.071 1.00 0.61 C ATOM 540 CD2 LEU A 108 12.990 -2.943 2.365 1.00 0.56 C ATOM 0 H LEU A 108 14.509 -6.310 -0.395 1.00 0.59 H new ATOM 0 HA LEU A 108 15.157 -3.981 1.208 1.00 0.57 H new ATOM 0 HB2 LEU A 108 12.883 -5.130 0.715 1.00 0.60 H new ATOM 0 HB3 LEU A 108 13.380 -6.326 1.896 1.00 0.60 H new ATOM 0 HG LEU A 108 11.859 -4.688 2.846 1.00 0.58 H new ATOM 0 HD11 LEU A 108 13.135 -4.034 4.834 1.00 0.61 H new ATOM 0 HD12 LEU A 108 13.450 -5.717 4.348 1.00 0.61 H new ATOM 0 HD13 LEU A 108 14.646 -4.449 3.991 1.00 0.61 H new ATOM 0 HD21 LEU A 108 12.572 -2.341 3.172 1.00 0.56 H new ATOM 0 HD22 LEU A 108 14.032 -2.666 2.208 1.00 0.56 H new ATOM 0 HD23 LEU A 108 12.426 -2.765 1.450 1.00 0.56 H new ATOM 552 N LYS A 109 17.035 -5.079 2.496 1.00 0.62 N ATOM 553 CA LYS A 109 18.054 -5.671 3.353 1.00 0.73 C ATOM 554 C LYS A 109 18.435 -4.749 4.517 1.00 0.75 C ATOM 555 O LYS A 109 18.787 -5.219 5.597 1.00 1.15 O ATOM 556 CB LYS A 109 19.285 -6.005 2.506 1.00 0.92 C ATOM 557 CG LYS A 109 20.375 -6.758 3.251 1.00 1.17 C ATOM 558 CD LYS A 109 21.499 -7.166 2.313 1.00 1.66 C ATOM 559 CE LYS A 109 22.620 -7.875 3.056 1.00 2.07 C ATOM 560 NZ LYS A 109 23.693 -8.336 2.135 1.00 2.72 N ATOM 0 H LYS A 109 17.265 -4.150 2.143 1.00 0.62 H new ATOM 0 HA LYS A 109 17.647 -6.581 3.793 1.00 0.73 H new ATOM 0 HB2 LYS A 109 18.970 -6.600 1.649 1.00 0.92 H new ATOM 0 HB3 LYS A 109 19.704 -5.078 2.114 1.00 0.92 H new ATOM 0 HG2 LYS A 109 20.773 -6.132 4.049 1.00 1.17 H new ATOM 0 HG3 LYS A 109 19.951 -7.645 3.723 1.00 1.17 H new ATOM 0 HD2 LYS A 109 21.105 -7.822 1.536 1.00 1.66 H new ATOM 0 HD3 LYS A 109 21.895 -6.282 1.813 1.00 1.66 H new ATOM 0 HE2 LYS A 109 23.045 -7.201 3.800 1.00 2.07 H new ATOM 0 HE3 LYS A 109 22.213 -8.730 3.596 1.00 2.07 H new ATOM 0 HZ1 LYS A 109 24.438 -8.814 2.681 1.00 2.72 H new ATOM 0 HZ2 LYS A 109 23.293 -8.999 1.441 1.00 2.72 H new ATOM 0 HZ3 LYS A 109 24.099 -7.518 1.638 1.00 2.72 H new ATOM 574 N LYS A 110 18.355 -3.441 4.302 1.00 0.62 N ATOM 575 CA LYS A 110 18.768 -2.471 5.319 1.00 0.73 C ATOM 576 C LYS A 110 17.576 -1.890 6.085 1.00 0.77 C ATOM 577 O LYS A 110 17.143 -2.448 7.088 1.00 1.53 O ATOM 578 CB LYS A 110 19.572 -1.330 4.685 1.00 0.93 C ATOM 579 CG LYS A 110 20.895 -1.770 4.088 1.00 1.14 C ATOM 580 CD LYS A 110 21.644 -0.595 3.489 1.00 1.46 C ATOM 581 CE LYS A 110 22.993 -1.018 2.936 1.00 1.80 C ATOM 582 NZ LYS A 110 23.861 -1.622 3.982 1.00 1.59 N ATOM 0 H LYS A 110 18.010 -3.025 3.437 1.00 0.62 H new ATOM 0 HA LYS A 110 19.394 -3.010 6.029 1.00 0.73 H new ATOM 0 HB2 LYS A 110 18.970 -0.863 3.905 1.00 0.93 H new ATOM 0 HB3 LYS A 110 19.761 -0.568 5.441 1.00 0.93 H new ATOM 0 HG2 LYS A 110 21.506 -2.240 4.858 1.00 1.14 H new ATOM 0 HG3 LYS A 110 20.718 -2.522 3.319 1.00 1.14 H new ATOM 0 HD2 LYS A 110 21.047 -0.149 2.693 1.00 1.46 H new ATOM 0 HD3 LYS A 110 21.786 0.173 4.249 1.00 1.46 H new ATOM 0 HE2 LYS A 110 22.845 -1.736 2.129 1.00 1.80 H new ATOM 0 HE3 LYS A 110 23.495 -0.152 2.504 1.00 1.80 H new ATOM 0 HZ1 LYS A 110 24.839 -1.678 3.632 1.00 1.59 H new ATOM 0 HZ2 LYS A 110 23.833 -1.033 4.839 1.00 1.59 H new ATOM 0 HZ3 LYS A 110 23.519 -2.578 4.208 1.00 1.59 H new ATOM 596 N SER A 111 17.051 -0.769 5.599 1.00 0.51 N ATOM 597 CA SER A 111 15.986 -0.050 6.289 1.00 0.52 C ATOM 598 C SER A 111 14.616 -0.459 5.751 1.00 0.48 C ATOM 599 O SER A 111 14.435 -0.636 4.547 1.00 0.86 O ATOM 600 CB SER A 111 16.196 1.458 6.125 1.00 0.72 C ATOM 601 OG SER A 111 15.224 2.201 6.839 1.00 1.55 O ATOM 0 H SER A 111 17.349 -0.337 4.724 1.00 0.51 H new ATOM 0 HA SER A 111 16.020 -0.305 7.348 1.00 0.52 H new ATOM 0 HB2 SER A 111 17.192 1.728 6.477 1.00 0.72 H new ATOM 0 HB3 SER A 111 16.150 1.719 5.068 1.00 0.72 H new ATOM 0 HG SER A 111 15.388 3.159 6.714 1.00 1.55 H new ATOM 607 N LYS A 112 13.658 -0.592 6.652 1.00 0.39 N ATOM 608 CA LYS A 112 12.331 -1.081 6.306 1.00 0.32 C ATOM 609 C LYS A 112 11.481 0.021 5.685 1.00 0.28 C ATOM 610 O LYS A 112 11.536 1.173 6.111 1.00 0.33 O ATOM 611 CB LYS A 112 11.629 -1.623 7.554 1.00 0.45 C ATOM 612 CG LYS A 112 12.430 -2.679 8.297 1.00 0.55 C ATOM 613 CD LYS A 112 11.730 -3.096 9.579 1.00 0.69 C ATOM 614 CE LYS A 112 12.541 -4.115 10.362 1.00 0.84 C ATOM 615 NZ LYS A 112 11.839 -4.544 11.598 1.00 1.53 N ATOM 0 H LYS A 112 13.775 -0.366 7.640 1.00 0.39 H new ATOM 0 HA LYS A 112 12.450 -1.880 5.574 1.00 0.32 H new ATOM 0 HB2 LYS A 112 11.421 -0.795 8.231 1.00 0.45 H new ATOM 0 HB3 LYS A 112 10.668 -2.047 7.264 1.00 0.45 H new ATOM 0 HG2 LYS A 112 12.571 -3.550 7.657 1.00 0.55 H new ATOM 0 HG3 LYS A 112 13.421 -2.290 8.530 1.00 0.55 H new ATOM 0 HD2 LYS A 112 11.555 -2.217 10.199 1.00 0.69 H new ATOM 0 HD3 LYS A 112 10.753 -3.516 9.339 1.00 0.69 H new ATOM 0 HE2 LYS A 112 12.736 -4.984 9.734 1.00 0.84 H new ATOM 0 HE3 LYS A 112 13.509 -3.687 10.623 1.00 0.84 H new ATOM 0 HZ1 LYS A 112 12.423 -5.239 12.105 1.00 1.53 H new ATOM 0 HZ2 LYS A 112 11.675 -3.718 12.208 1.00 1.53 H new ATOM 0 HZ3 LYS A 112 10.927 -4.976 11.347 1.00 1.53 H new ATOM 629 N TRP A 113 10.703 -0.342 4.676 1.00 0.24 N ATOM 630 CA TRP A 113 9.776 0.586 4.044 1.00 0.22 C ATOM 631 C TRP A 113 8.529 0.742 4.888 1.00 0.21 C ATOM 632 O TRP A 113 7.916 -0.250 5.292 1.00 0.25 O ATOM 633 CB TRP A 113 9.399 0.108 2.640 1.00 0.22 C ATOM 634 CG TRP A 113 10.426 0.443 1.607 1.00 0.23 C ATOM 635 CD1 TRP A 113 11.732 0.057 1.598 1.00 0.24 C ATOM 636 CD2 TRP A 113 10.231 1.230 0.424 1.00 0.24 C ATOM 637 NE1 TRP A 113 12.365 0.562 0.493 1.00 0.25 N ATOM 638 CE2 TRP A 113 11.467 1.284 -0.242 1.00 0.25 C ATOM 639 CE3 TRP A 113 9.136 1.898 -0.136 1.00 0.28 C ATOM 640 CZ2 TRP A 113 11.642 1.974 -1.435 1.00 0.29 C ATOM 641 CZ3 TRP A 113 9.313 2.582 -1.324 1.00 0.32 C ATOM 642 CH2 TRP A 113 10.559 2.614 -1.961 1.00 0.32 C ATOM 0 H TRP A 113 10.696 -1.280 4.275 1.00 0.24 H new ATOM 0 HA TRP A 113 10.271 1.553 3.959 1.00 0.22 H new ATOM 0 HB2 TRP A 113 9.251 -0.972 2.659 1.00 0.22 H new ATOM 0 HB3 TRP A 113 8.447 0.555 2.355 1.00 0.22 H new ATOM 0 HD1 TRP A 113 12.201 -0.558 2.352 1.00 0.24 H new ATOM 0 HE1 TRP A 113 13.347 0.422 0.257 1.00 0.25 H new ATOM 0 HE3 TRP A 113 8.172 1.879 0.350 1.00 0.28 H new ATOM 0 HZ2 TRP A 113 12.602 2.002 -1.929 1.00 0.29 H new ATOM 0 HZ3 TRP A 113 8.476 3.100 -1.768 1.00 0.32 H new ATOM 0 HH2 TRP A 113 10.665 3.157 -2.889 1.00 0.32 H new ATOM 653 N LYS A 114 8.161 1.983 5.156 1.00 0.20 N ATOM 654 CA LYS A 114 7.000 2.265 5.971 1.00 0.24 C ATOM 655 C LYS A 114 5.788 2.488 5.084 1.00 0.20 C ATOM 656 O LYS A 114 5.852 3.234 4.103 1.00 0.24 O ATOM 657 CB LYS A 114 7.238 3.493 6.843 1.00 0.37 C ATOM 658 CG LYS A 114 6.220 3.628 7.960 1.00 0.58 C ATOM 659 CD LYS A 114 6.393 4.920 8.733 1.00 1.04 C ATOM 660 CE LYS A 114 5.366 5.034 9.847 1.00 1.08 C ATOM 661 NZ LYS A 114 5.605 4.043 10.931 1.00 1.66 N ATOM 0 H LYS A 114 8.653 2.811 4.819 1.00 0.20 H new ATOM 0 HA LYS A 114 6.819 1.409 6.622 1.00 0.24 H new ATOM 0 HB2 LYS A 114 8.238 3.439 7.274 1.00 0.37 H new ATOM 0 HB3 LYS A 114 7.207 4.387 6.220 1.00 0.37 H new ATOM 0 HG2 LYS A 114 5.215 3.588 7.541 1.00 0.58 H new ATOM 0 HG3 LYS A 114 6.315 2.782 8.641 1.00 0.58 H new ATOM 0 HD2 LYS A 114 7.397 4.963 9.155 1.00 1.04 H new ATOM 0 HD3 LYS A 114 6.295 5.768 8.056 1.00 1.04 H new ATOM 0 HE2 LYS A 114 5.394 6.041 10.264 1.00 1.08 H new ATOM 0 HE3 LYS A 114 4.367 4.887 9.436 1.00 1.08 H new ATOM 0 HZ1 LYS A 114 4.994 4.263 11.743 1.00 1.66 H new ATOM 0 HZ2 LYS A 114 5.388 3.088 10.582 1.00 1.66 H new ATOM 0 HZ3 LYS A 114 6.601 4.085 11.226 1.00 1.66 H new ATOM 675 N TRP A 115 4.690 1.845 5.431 1.00 0.17 N ATOM 676 CA TRP A 115 3.476 1.949 4.650 1.00 0.15 C ATOM 677 C TRP A 115 2.317 2.389 5.524 1.00 0.16 C ATOM 678 O TRP A 115 2.312 2.150 6.734 1.00 0.18 O ATOM 679 CB TRP A 115 3.148 0.609 3.982 1.00 0.15 C ATOM 680 CG TRP A 115 2.897 -0.504 4.955 1.00 0.16 C ATOM 681 CD1 TRP A 115 3.825 -1.350 5.481 1.00 0.19 C ATOM 682 CD2 TRP A 115 1.637 -0.897 5.510 1.00 0.17 C ATOM 683 NE1 TRP A 115 3.222 -2.240 6.334 1.00 0.22 N ATOM 684 CE2 TRP A 115 1.880 -1.984 6.366 1.00 0.20 C ATOM 685 CE3 TRP A 115 0.330 -0.433 5.366 1.00 0.18 C ATOM 686 CZ2 TRP A 115 0.864 -2.615 7.076 1.00 0.23 C ATOM 687 CZ3 TRP A 115 -0.679 -1.060 6.070 1.00 0.20 C ATOM 688 CH2 TRP A 115 -0.407 -2.141 6.915 1.00 0.22 C ATOM 0 H TRP A 115 4.615 1.244 6.251 1.00 0.17 H new ATOM 0 HA TRP A 115 3.635 2.698 3.874 1.00 0.15 H new ATOM 0 HB2 TRP A 115 2.268 0.733 3.351 1.00 0.15 H new ATOM 0 HB3 TRP A 115 3.973 0.328 3.327 1.00 0.15 H new ATOM 0 HD1 TRP A 115 4.882 -1.324 5.259 1.00 0.19 H new ATOM 0 HE1 TRP A 115 3.698 -2.974 6.859 1.00 0.22 H new ATOM 0 HE3 TRP A 115 0.111 0.401 4.716 1.00 0.18 H new ATOM 0 HZ2 TRP A 115 1.072 -3.449 7.730 1.00 0.23 H new ATOM 0 HZ3 TRP A 115 -1.695 -0.710 5.966 1.00 0.20 H new ATOM 0 HH2 TRP A 115 -1.218 -2.611 7.451 1.00 0.22 H new ATOM 699 N GLU A 116 1.350 3.049 4.911 1.00 0.17 N ATOM 700 CA GLU A 116 0.134 3.449 5.597 1.00 0.20 C ATOM 701 C GLU A 116 -1.073 3.118 4.734 1.00 0.19 C ATOM 702 O GLU A 116 -1.053 3.338 3.526 1.00 0.25 O ATOM 703 CB GLU A 116 0.135 4.954 5.864 1.00 0.32 C ATOM 704 CG GLU A 116 1.445 5.511 6.375 1.00 0.50 C ATOM 705 CD GLU A 116 1.479 7.017 6.262 1.00 0.64 C ATOM 706 OE1 GLU A 116 1.251 7.534 5.145 1.00 1.40 O ATOM 707 OE2 GLU A 116 1.720 7.694 7.279 1.00 1.22 O ATOM 0 H GLU A 116 1.385 3.322 3.929 1.00 0.17 H new ATOM 0 HA GLU A 116 0.086 2.911 6.544 1.00 0.20 H new ATOM 0 HB2 GLU A 116 -0.128 5.472 4.941 1.00 0.32 H new ATOM 0 HB3 GLU A 116 -0.646 5.180 6.590 1.00 0.32 H new ATOM 0 HG2 GLU A 116 1.587 5.218 7.415 1.00 0.50 H new ATOM 0 HG3 GLU A 116 2.271 5.082 5.808 1.00 0.50 H new ATOM 714 N LEU A 117 -2.117 2.600 5.344 1.00 0.17 N ATOM 715 CA LEU A 117 -3.371 2.407 4.646 1.00 0.16 C ATOM 716 C LEU A 117 -4.270 3.591 4.936 1.00 0.15 C ATOM 717 O LEU A 117 -4.481 3.947 6.094 1.00 0.19 O ATOM 718 CB LEU A 117 -4.065 1.123 5.086 1.00 0.19 C ATOM 719 CG LEU A 117 -5.366 0.825 4.344 1.00 0.21 C ATOM 720 CD1 LEU A 117 -5.090 0.214 2.980 1.00 0.22 C ATOM 721 CD2 LEU A 117 -6.251 -0.080 5.172 1.00 0.25 C ATOM 0 H LEU A 117 -2.123 2.305 6.320 1.00 0.17 H new ATOM 0 HA LEU A 117 -3.168 2.326 3.578 1.00 0.16 H new ATOM 0 HB2 LEU A 117 -3.380 0.287 4.944 1.00 0.19 H new ATOM 0 HB3 LEU A 117 -4.276 1.185 6.154 1.00 0.19 H new ATOM 0 HG LEU A 117 -5.891 1.767 4.185 1.00 0.21 H new ATOM 0 HD11 LEU A 117 -6.034 0.012 2.474 1.00 0.22 H new ATOM 0 HD12 LEU A 117 -4.500 0.909 2.383 1.00 0.22 H new ATOM 0 HD13 LEU A 117 -4.538 -0.718 3.104 1.00 0.22 H new ATOM 0 HD21 LEU A 117 -7.174 -0.283 4.629 1.00 0.25 H new ATOM 0 HD22 LEU A 117 -5.731 -1.018 5.367 1.00 0.25 H new ATOM 0 HD23 LEU A 117 -6.486 0.408 6.118 1.00 0.25 H new ATOM 733 N HIS A 118 -4.782 4.208 3.896 1.00 0.13 N ATOM 734 CA HIS A 118 -5.564 5.418 4.063 1.00 0.14 C ATOM 735 C HIS A 118 -7.017 5.198 3.695 1.00 0.18 C ATOM 736 O HIS A 118 -7.341 4.342 2.873 1.00 0.21 O ATOM 737 CB HIS A 118 -4.982 6.555 3.223 1.00 0.18 C ATOM 738 CG HIS A 118 -3.678 7.083 3.743 1.00 0.20 C ATOM 739 ND1 HIS A 118 -3.463 8.417 4.015 1.00 0.50 N ATOM 740 CD2 HIS A 118 -2.515 6.451 4.037 1.00 0.24 C ATOM 741 CE1 HIS A 118 -2.229 8.582 4.454 1.00 0.45 C ATOM 742 NE2 HIS A 118 -1.632 7.408 4.478 1.00 0.22 N ATOM 0 H HIS A 118 -4.674 3.897 2.930 1.00 0.13 H new ATOM 0 HA HIS A 118 -5.518 5.692 5.117 1.00 0.14 H new ATOM 0 HB2 HIS A 118 -4.840 6.204 2.201 1.00 0.18 H new ATOM 0 HB3 HIS A 118 -5.704 7.371 3.182 1.00 0.18 H new ATOM 0 HD2 HIS A 118 -2.319 5.393 3.942 1.00 0.24 H new ATOM 0 HE1 HIS A 118 -1.784 9.522 4.745 1.00 0.45 H new ATOM 0 HE2 HIS A 118 -0.671 7.237 4.775 1.00 0.22 H new ATOM 751 N LYS A 119 -7.879 5.966 4.336 1.00 0.22 N ATOM 752 CA LYS A 119 -9.281 6.033 3.968 1.00 0.29 C ATOM 753 C LYS A 119 -9.465 7.167 2.971 1.00 0.27 C ATOM 754 O LYS A 119 -9.457 8.341 3.341 1.00 0.43 O ATOM 755 CB LYS A 119 -10.153 6.261 5.212 1.00 0.43 C ATOM 756 CG LYS A 119 -11.606 6.617 4.906 1.00 0.70 C ATOM 757 CD LYS A 119 -12.376 5.454 4.297 1.00 0.84 C ATOM 758 CE LYS A 119 -12.647 4.357 5.316 1.00 1.04 C ATOM 759 NZ LYS A 119 -13.443 4.849 6.474 1.00 1.69 N ATOM 0 H LYS A 119 -7.627 6.560 5.126 1.00 0.22 H new ATOM 0 HA LYS A 119 -9.589 5.091 3.515 1.00 0.29 H new ATOM 0 HB2 LYS A 119 -10.134 5.360 5.825 1.00 0.43 H new ATOM 0 HB3 LYS A 119 -9.713 7.061 5.808 1.00 0.43 H new ATOM 0 HG2 LYS A 119 -12.100 6.934 5.824 1.00 0.70 H new ATOM 0 HG3 LYS A 119 -11.632 7.464 4.221 1.00 0.70 H new ATOM 0 HD2 LYS A 119 -13.322 5.816 3.894 1.00 0.84 H new ATOM 0 HD3 LYS A 119 -11.810 5.042 3.462 1.00 0.84 H new ATOM 0 HE2 LYS A 119 -13.180 3.538 4.833 1.00 1.04 H new ATOM 0 HE3 LYS A 119 -11.700 3.954 5.674 1.00 1.04 H new ATOM 0 HZ1 LYS A 119 -13.860 4.040 6.977 1.00 1.69 H new ATOM 0 HZ2 LYS A 119 -12.824 5.377 7.121 1.00 1.69 H new ATOM 0 HZ3 LYS A 119 -14.202 5.474 6.133 1.00 1.69 H new ATOM 773 N LEU A 120 -9.597 6.813 1.708 1.00 0.23 N ATOM 774 CA LEU A 120 -9.707 7.800 0.654 1.00 0.26 C ATOM 775 C LEU A 120 -11.169 8.063 0.348 1.00 0.34 C ATOM 776 O LEU A 120 -11.983 7.142 0.314 1.00 0.37 O ATOM 777 CB LEU A 120 -8.961 7.345 -0.609 1.00 0.24 C ATOM 778 CG LEU A 120 -7.434 7.230 -0.479 1.00 0.20 C ATOM 779 CD1 LEU A 120 -6.858 8.424 0.269 1.00 0.25 C ATOM 780 CD2 LEU A 120 -7.041 5.930 0.194 1.00 0.21 C ATOM 0 H LEU A 120 -9.631 5.846 1.387 1.00 0.23 H new ATOM 0 HA LEU A 120 -9.244 8.726 0.995 1.00 0.26 H new ATOM 0 HB2 LEU A 120 -9.355 6.375 -0.911 1.00 0.24 H new ATOM 0 HB3 LEU A 120 -9.187 8.045 -1.413 1.00 0.24 H new ATOM 0 HG LEU A 120 -7.013 7.228 -1.485 1.00 0.20 H new ATOM 0 HD11 LEU A 120 -5.776 8.317 0.347 1.00 0.25 H new ATOM 0 HD12 LEU A 120 -7.094 9.340 -0.272 1.00 0.25 H new ATOM 0 HD13 LEU A 120 -7.291 8.471 1.268 1.00 0.25 H new ATOM 0 HD21 LEU A 120 -5.955 5.875 0.273 1.00 0.21 H new ATOM 0 HD22 LEU A 120 -7.480 5.889 1.191 1.00 0.21 H new ATOM 0 HD23 LEU A 120 -7.405 5.090 -0.397 1.00 0.21 H new ATOM 792 N GLU A 121 -11.500 9.323 0.140 1.00 0.46 N ATOM 793 CA GLU A 121 -12.884 9.722 -0.059 1.00 0.57 C ATOM 794 C GLU A 121 -13.314 9.544 -1.511 1.00 0.58 C ATOM 795 O GLU A 121 -14.502 9.622 -1.826 1.00 0.69 O ATOM 796 CB GLU A 121 -13.084 11.164 0.397 1.00 0.70 C ATOM 797 CG GLU A 121 -12.969 11.331 1.905 1.00 0.80 C ATOM 798 CD GLU A 121 -14.092 10.641 2.656 1.00 1.63 C ATOM 799 OE1 GLU A 121 -13.942 9.454 3.016 1.00 2.36 O ATOM 800 OE2 GLU A 121 -15.134 11.288 2.891 1.00 2.22 O ATOM 0 H GLU A 121 -10.829 10.091 0.104 1.00 0.46 H new ATOM 0 HA GLU A 121 -13.516 9.072 0.547 1.00 0.57 H new ATOM 0 HB2 GLU A 121 -12.345 11.800 -0.091 1.00 0.70 H new ATOM 0 HB3 GLU A 121 -14.066 11.509 0.072 1.00 0.70 H new ATOM 0 HG2 GLU A 121 -12.013 10.929 2.239 1.00 0.80 H new ATOM 0 HG3 GLU A 121 -12.972 12.393 2.150 1.00 0.80 H new ATOM 807 N ASN A 122 -12.351 9.305 -2.389 1.00 0.53 N ATOM 808 CA ASN A 122 -12.652 8.997 -3.781 1.00 0.60 C ATOM 809 C ASN A 122 -11.503 8.222 -4.402 1.00 0.62 C ATOM 810 O ASN A 122 -10.352 8.356 -3.984 1.00 1.22 O ATOM 811 CB ASN A 122 -12.954 10.264 -4.612 1.00 0.73 C ATOM 812 CG ASN A 122 -11.726 11.072 -5.002 1.00 1.03 C ATOM 813 OD1 ASN A 122 -11.645 11.569 -6.124 1.00 1.16 O ATOM 814 ND2 ASN A 122 -10.785 11.247 -4.090 1.00 1.87 N ATOM 0 H ASN A 122 -11.356 9.318 -2.164 1.00 0.53 H new ATOM 0 HA ASN A 122 -13.554 8.385 -3.791 1.00 0.60 H new ATOM 0 HB2 ASN A 122 -13.483 9.970 -5.519 1.00 0.73 H new ATOM 0 HB3 ASN A 122 -13.628 10.904 -4.043 1.00 0.73 H new ATOM 0 HD21 ASN A 122 -9.962 11.808 -4.308 1.00 1.87 H new ATOM 0 HD22 ASN A 122 -10.882 10.821 -3.168 1.00 1.87 H new ATOM 821 N ALA A 123 -11.826 7.398 -5.382 1.00 0.67 N ATOM 822 CA ALA A 123 -10.829 6.618 -6.091 1.00 0.66 C ATOM 823 C ALA A 123 -10.647 7.177 -7.493 1.00 0.71 C ATOM 824 O ALA A 123 -10.594 6.436 -8.475 1.00 0.90 O ATOM 825 CB ALA A 123 -11.245 5.156 -6.134 1.00 0.69 C ATOM 0 H ALA A 123 -12.782 7.251 -5.707 1.00 0.67 H new ATOM 0 HA ALA A 123 -9.875 6.682 -5.567 1.00 0.66 H new ATOM 0 HB1 ALA A 123 -10.490 4.579 -6.668 1.00 0.69 H new ATOM 0 HB2 ALA A 123 -11.341 4.775 -5.117 1.00 0.69 H new ATOM 0 HB3 ALA A 123 -12.202 5.065 -6.647 1.00 0.69 H new ATOM 831 N ARG A 124 -10.573 8.497 -7.573 1.00 0.72 N ATOM 832 CA ARG A 124 -10.490 9.191 -8.850 1.00 0.83 C ATOM 833 C ARG A 124 -9.366 10.217 -8.833 1.00 0.75 C ATOM 834 O ARG A 124 -8.382 10.085 -9.558 1.00 0.86 O ATOM 835 CB ARG A 124 -11.825 9.870 -9.156 1.00 1.08 C ATOM 836 CG ARG A 124 -12.972 8.887 -9.295 1.00 1.37 C ATOM 837 CD ARG A 124 -14.313 9.583 -9.416 1.00 1.63 C ATOM 838 NE ARG A 124 -15.403 8.619 -9.557 1.00 2.28 N ATOM 839 CZ ARG A 124 -16.597 8.747 -8.980 1.00 2.84 C ATOM 840 NH1 ARG A 124 -16.877 9.816 -8.246 1.00 2.76 N ATOM 841 NH2 ARG A 124 -17.515 7.804 -9.145 1.00 3.84 N ATOM 0 H ARG A 124 -10.569 9.114 -6.761 1.00 0.72 H new ATOM 0 HA ARG A 124 -10.272 8.463 -9.631 1.00 0.83 H new ATOM 0 HB2 ARG A 124 -12.056 10.579 -8.361 1.00 1.08 H new ATOM 0 HB3 ARG A 124 -11.732 10.444 -10.078 1.00 1.08 H new ATOM 0 HG2 ARG A 124 -12.808 8.263 -10.173 1.00 1.37 H new ATOM 0 HG3 ARG A 124 -12.986 8.223 -8.430 1.00 1.37 H new ATOM 0 HD2 ARG A 124 -14.484 10.202 -8.535 1.00 1.63 H new ATOM 0 HD3 ARG A 124 -14.302 10.251 -10.278 1.00 1.63 H new ATOM 0 HE ARG A 124 -15.239 7.795 -10.135 1.00 2.28 H new ATOM 0 HH11 ARG A 124 -16.176 10.546 -8.121 1.00 2.76 H new ATOM 0 HH12 ARG A 124 -17.793 9.908 -7.807 1.00 2.76 H new ATOM 0 HH21 ARG A 124 -17.306 6.983 -9.713 1.00 3.84 H new ATOM 0 HH22 ARG A 124 -18.430 7.900 -8.704 1.00 3.84 H new ATOM 855 N LYS A 125 -9.524 11.232 -7.995 1.00 0.75 N ATOM 856 CA LYS A 125 -8.509 12.263 -7.834 1.00 0.68 C ATOM 857 C LYS A 125 -7.272 11.682 -7.166 1.00 0.55 C ATOM 858 O LYS A 125 -7.357 10.650 -6.496 1.00 0.53 O ATOM 859 CB LYS A 125 -9.062 13.410 -6.978 1.00 0.79 C ATOM 860 CG LYS A 125 -10.282 14.090 -7.574 1.00 0.93 C ATOM 861 CD LYS A 125 -10.837 15.146 -6.635 1.00 1.64 C ATOM 862 CE LYS A 125 -12.017 15.877 -7.251 1.00 1.90 C ATOM 863 NZ LYS A 125 -11.642 16.569 -8.512 1.00 2.26 N ATOM 0 H LYS A 125 -10.351 11.364 -7.413 1.00 0.75 H new ATOM 0 HA LYS A 125 -8.237 12.644 -8.819 1.00 0.68 H new ATOM 0 HB2 LYS A 125 -9.319 13.023 -5.992 1.00 0.79 H new ATOM 0 HB3 LYS A 125 -8.278 14.153 -6.834 1.00 0.79 H new ATOM 0 HG2 LYS A 125 -10.016 14.550 -8.526 1.00 0.93 H new ATOM 0 HG3 LYS A 125 -11.050 13.346 -7.783 1.00 0.93 H new ATOM 0 HD2 LYS A 125 -11.146 14.677 -5.701 1.00 1.64 H new ATOM 0 HD3 LYS A 125 -10.053 15.862 -6.388 1.00 1.64 H new ATOM 0 HE2 LYS A 125 -12.820 15.167 -7.451 1.00 1.90 H new ATOM 0 HE3 LYS A 125 -12.405 16.605 -6.539 1.00 1.90 H new ATOM 0 HZ1 LYS A 125 -12.383 17.253 -8.766 1.00 2.26 H new ATOM 0 HZ2 LYS A 125 -10.740 17.069 -8.379 1.00 2.26 H new ATOM 0 HZ3 LYS A 125 -11.540 15.870 -9.275 1.00 2.26 H new ATOM 877 N PRO A 126 -6.109 12.335 -7.339 1.00 0.51 N ATOM 878 CA PRO A 126 -4.880 11.941 -6.658 1.00 0.45 C ATOM 879 C PRO A 126 -5.117 11.785 -5.165 1.00 0.39 C ATOM 880 O PRO A 126 -5.634 12.694 -4.507 1.00 0.47 O ATOM 881 CB PRO A 126 -3.907 13.096 -6.934 1.00 0.51 C ATOM 882 CG PRO A 126 -4.735 14.184 -7.534 1.00 0.59 C ATOM 883 CD PRO A 126 -5.894 13.503 -8.201 1.00 0.60 C ATOM 0 HA PRO A 126 -4.500 10.981 -7.009 1.00 0.45 H new ATOM 0 HB2 PRO A 126 -3.426 13.431 -6.015 1.00 0.51 H new ATOM 0 HB3 PRO A 126 -3.114 12.786 -7.615 1.00 0.51 H new ATOM 0 HG2 PRO A 126 -5.079 14.879 -6.768 1.00 0.59 H new ATOM 0 HG3 PRO A 126 -4.156 14.763 -8.254 1.00 0.59 H new ATOM 0 HD2 PRO A 126 -6.774 14.145 -8.243 1.00 0.60 H new ATOM 0 HD3 PRO A 126 -5.661 13.215 -9.226 1.00 0.60 H new ATOM 891 N LEU A 127 -4.758 10.628 -4.640 1.00 0.32 N ATOM 892 CA LEU A 127 -5.083 10.275 -3.271 1.00 0.26 C ATOM 893 C LEU A 127 -4.380 11.192 -2.281 1.00 0.29 C ATOM 894 O LEU A 127 -3.364 11.814 -2.599 1.00 0.37 O ATOM 895 CB LEU A 127 -4.736 8.814 -3.014 1.00 0.24 C ATOM 896 CG LEU A 127 -5.358 7.825 -4.007 1.00 0.26 C ATOM 897 CD1 LEU A 127 -5.062 6.400 -3.591 1.00 0.26 C ATOM 898 CD2 LEU A 127 -6.860 8.050 -4.132 1.00 0.27 C ATOM 0 H LEU A 127 -4.237 9.912 -5.146 1.00 0.32 H new ATOM 0 HA LEU A 127 -6.155 10.408 -3.125 1.00 0.26 H new ATOM 0 HB2 LEU A 127 -3.652 8.702 -3.041 1.00 0.24 H new ATOM 0 HB3 LEU A 127 -5.059 8.549 -2.007 1.00 0.24 H new ATOM 0 HG LEU A 127 -4.910 7.998 -4.986 1.00 0.26 H new ATOM 0 HD11 LEU A 127 -5.511 5.711 -4.307 1.00 0.26 H new ATOM 0 HD12 LEU A 127 -3.983 6.245 -3.566 1.00 0.26 H new ATOM 0 HD13 LEU A 127 -5.478 6.216 -2.601 1.00 0.26 H new ATOM 0 HD21 LEU A 127 -7.277 7.336 -4.842 1.00 0.27 H new ATOM 0 HD22 LEU A 127 -7.331 7.911 -3.159 1.00 0.27 H new ATOM 0 HD23 LEU A 127 -7.048 9.064 -4.485 1.00 0.27 H new ATOM 910 N LYS A 128 -4.932 11.269 -1.083 1.00 0.29 N ATOM 911 CA LYS A 128 -4.517 12.267 -0.112 1.00 0.36 C ATOM 912 C LYS A 128 -4.120 11.652 1.225 1.00 0.26 C ATOM 913 O LYS A 128 -4.650 10.619 1.644 1.00 0.23 O ATOM 914 CB LYS A 128 -5.655 13.267 0.103 1.00 0.51 C ATOM 915 CG LYS A 128 -6.978 12.611 0.479 1.00 1.10 C ATOM 916 CD LYS A 128 -8.055 13.638 0.804 1.00 1.37 C ATOM 917 CE LYS A 128 -8.388 14.508 -0.397 1.00 1.80 C ATOM 918 NZ LYS A 128 -9.475 15.477 -0.093 1.00 2.27 N ATOM 0 H LYS A 128 -5.673 10.648 -0.758 1.00 0.29 H new ATOM 0 HA LYS A 128 -3.636 12.768 -0.512 1.00 0.36 H new ATOM 0 HB2 LYS A 128 -5.369 13.967 0.888 1.00 0.51 H new ATOM 0 HB3 LYS A 128 -5.793 13.849 -0.808 1.00 0.51 H new ATOM 0 HG2 LYS A 128 -7.316 11.980 -0.343 1.00 1.10 H new ATOM 0 HG3 LYS A 128 -6.827 11.960 1.340 1.00 1.10 H new ATOM 0 HD2 LYS A 128 -8.956 13.125 1.142 1.00 1.37 H new ATOM 0 HD3 LYS A 128 -7.719 14.268 1.627 1.00 1.37 H new ATOM 0 HE2 LYS A 128 -7.496 15.049 -0.712 1.00 1.80 H new ATOM 0 HE3 LYS A 128 -8.688 13.875 -1.232 1.00 1.80 H new ATOM 0 HZ1 LYS A 128 -9.673 16.052 -0.937 1.00 2.27 H new ATOM 0 HZ2 LYS A 128 -10.334 14.960 0.183 1.00 2.27 H new ATOM 0 HZ3 LYS A 128 -9.179 16.098 0.687 1.00 2.27 H new ATOM 932 N ASP A 129 -3.170 12.304 1.873 1.00 0.32 N ATOM 933 CA ASP A 129 -2.785 11.977 3.240 1.00 0.39 C ATOM 934 C ASP A 129 -3.752 12.663 4.199 1.00 0.45 C ATOM 935 O ASP A 129 -4.463 13.590 3.805 1.00 0.51 O ATOM 936 CB ASP A 129 -1.350 12.455 3.511 1.00 0.59 C ATOM 937 CG ASP A 129 -0.769 11.926 4.812 1.00 1.00 C ATOM 938 OD1 ASP A 129 -0.258 10.789 4.818 1.00 1.56 O ATOM 939 OD2 ASP A 129 -0.802 12.657 5.828 1.00 1.88 O ATOM 0 H ASP A 129 -2.642 13.077 1.468 1.00 0.32 H new ATOM 0 HA ASP A 129 -2.824 10.897 3.385 1.00 0.39 H new ATOM 0 HB2 ASP A 129 -0.710 12.145 2.685 1.00 0.59 H new ATOM 0 HB3 ASP A 129 -1.337 13.545 3.533 1.00 0.59 H new ATOM 944 N GLY A 130 -3.779 12.225 5.445 1.00 0.51 N ATOM 945 CA GLY A 130 -4.659 12.844 6.419 1.00 0.62 C ATOM 946 C GLY A 130 -5.582 11.857 7.103 1.00 0.60 C ATOM 947 O GLY A 130 -5.939 12.044 8.266 1.00 0.75 O ATOM 0 H GLY A 130 -3.212 11.456 5.802 1.00 0.51 H new ATOM 0 HA2 GLY A 130 -4.056 13.350 7.173 1.00 0.62 H new ATOM 0 HA3 GLY A 130 -5.258 13.608 5.924 1.00 0.62 H new ATOM 951 N ASN A 131 -5.984 10.811 6.401 1.00 0.47 N ATOM 952 CA ASN A 131 -6.772 9.757 7.022 1.00 0.46 C ATOM 953 C ASN A 131 -6.052 8.425 6.912 1.00 0.40 C ATOM 954 O ASN A 131 -6.003 7.824 5.843 1.00 0.46 O ATOM 955 CB ASN A 131 -8.159 9.647 6.384 1.00 0.51 C ATOM 956 CG ASN A 131 -9.054 10.828 6.705 1.00 1.32 C ATOM 957 OD1 ASN A 131 -9.741 10.838 7.728 1.00 2.28 O ATOM 958 ND2 ASN A 131 -9.069 11.821 5.830 1.00 1.45 N ATOM 0 H ASN A 131 -5.781 10.668 5.412 1.00 0.47 H new ATOM 0 HA ASN A 131 -6.898 10.015 8.073 1.00 0.46 H new ATOM 0 HB2 ASN A 131 -8.050 9.564 5.303 1.00 0.51 H new ATOM 0 HB3 ASN A 131 -8.639 8.731 6.727 1.00 0.51 H new ATOM 0 HD21 ASN A 131 -9.665 12.633 5.991 1.00 1.45 H new ATOM 0 HD22 ASN A 131 -8.485 11.774 4.995 1.00 1.45 H new ATOM 965 N VAL A 132 -5.499 7.968 8.021 1.00 0.36 N ATOM 966 CA VAL A 132 -4.794 6.697 8.057 1.00 0.31 C ATOM 967 C VAL A 132 -5.542 5.705 8.940 1.00 0.28 C ATOM 968 O VAL A 132 -6.102 6.075 9.974 1.00 0.35 O ATOM 969 CB VAL A 132 -3.339 6.864 8.556 1.00 0.35 C ATOM 970 CG1 VAL A 132 -3.304 7.431 9.963 1.00 0.73 C ATOM 971 CG2 VAL A 132 -2.583 5.545 8.493 1.00 0.71 C ATOM 0 H VAL A 132 -5.524 8.460 8.914 1.00 0.36 H new ATOM 0 HA VAL A 132 -4.753 6.312 7.038 1.00 0.31 H new ATOM 0 HB VAL A 132 -2.843 7.572 7.892 1.00 0.35 H new ATOM 0 HG11 VAL A 132 -2.269 7.537 10.287 1.00 0.73 H new ATOM 0 HG12 VAL A 132 -3.790 8.407 9.974 1.00 0.73 H new ATOM 0 HG13 VAL A 132 -3.829 6.757 10.640 1.00 0.73 H new ATOM 0 HG21 VAL A 132 -1.564 5.693 8.850 1.00 0.71 H new ATOM 0 HG22 VAL A 132 -3.084 4.808 9.121 1.00 0.71 H new ATOM 0 HG23 VAL A 132 -2.559 5.188 7.463 1.00 0.71 H new ATOM 981 N ILE A 133 -5.572 4.459 8.505 1.00 0.23 N ATOM 982 CA ILE A 133 -6.290 3.410 9.207 1.00 0.26 C ATOM 983 C ILE A 133 -5.311 2.375 9.752 1.00 0.28 C ATOM 984 O ILE A 133 -5.304 2.069 10.943 1.00 0.38 O ATOM 985 CB ILE A 133 -7.293 2.719 8.260 1.00 0.31 C ATOM 986 CG1 ILE A 133 -8.198 3.756 7.580 1.00 0.34 C ATOM 987 CG2 ILE A 133 -8.125 1.692 9.010 1.00 0.38 C ATOM 988 CD1 ILE A 133 -9.034 4.576 8.543 1.00 0.35 C ATOM 0 H ILE A 133 -5.100 4.145 7.657 1.00 0.23 H new ATOM 0 HA ILE A 133 -6.835 3.863 10.036 1.00 0.26 H new ATOM 0 HB ILE A 133 -6.727 2.199 7.487 1.00 0.31 H new ATOM 0 HG12 ILE A 133 -7.579 4.430 6.989 1.00 0.34 H new ATOM 0 HG13 ILE A 133 -8.863 3.242 6.886 1.00 0.34 H new ATOM 0 HG21 ILE A 133 -8.825 1.218 8.322 1.00 0.38 H new ATOM 0 HG22 ILE A 133 -7.468 0.935 9.439 1.00 0.38 H new ATOM 0 HG23 ILE A 133 -8.679 2.186 9.808 1.00 0.38 H new ATOM 0 HD11 ILE A 133 -9.644 5.284 7.983 1.00 0.35 H new ATOM 0 HD12 ILE A 133 -9.682 3.914 9.117 1.00 0.35 H new ATOM 0 HD13 ILE A 133 -8.378 5.120 9.222 1.00 0.35 H new ATOM 1000 N GLU A 134 -4.471 1.866 8.865 1.00 0.25 N ATOM 1001 CA GLU A 134 -3.466 0.870 9.209 1.00 0.30 C ATOM 1002 C GLU A 134 -2.104 1.404 8.797 1.00 0.23 C ATOM 1003 O GLU A 134 -2.030 2.276 7.934 1.00 0.21 O ATOM 1004 CB GLU A 134 -3.737 -0.448 8.470 1.00 0.43 C ATOM 1005 CG GLU A 134 -5.086 -1.085 8.772 1.00 0.63 C ATOM 1006 CD GLU A 134 -5.089 -1.872 10.064 1.00 0.74 C ATOM 1007 OE1 GLU A 134 -4.683 -3.056 10.041 1.00 1.50 O ATOM 1008 OE2 GLU A 134 -5.497 -1.320 11.107 1.00 1.42 O ATOM 0 H GLU A 134 -4.466 2.133 7.881 1.00 0.25 H new ATOM 0 HA GLU A 134 -3.498 0.678 10.282 1.00 0.30 H new ATOM 0 HB2 GLU A 134 -3.669 -0.267 7.397 1.00 0.43 H new ATOM 0 HB3 GLU A 134 -2.951 -1.159 8.724 1.00 0.43 H new ATOM 0 HG2 GLU A 134 -5.846 -0.306 8.825 1.00 0.63 H new ATOM 0 HG3 GLU A 134 -5.363 -1.745 7.950 1.00 0.63 H new ATOM 1015 N LYS A 135 -1.036 0.904 9.398 1.00 0.28 N ATOM 1016 CA LYS A 135 0.311 1.309 9.006 1.00 0.25 C ATOM 1017 C LYS A 135 1.365 0.414 9.635 1.00 0.27 C ATOM 1018 O LYS A 135 1.083 -0.346 10.562 1.00 0.34 O ATOM 1019 CB LYS A 135 0.582 2.777 9.370 1.00 0.32 C ATOM 1020 CG LYS A 135 0.252 3.136 10.807 1.00 0.56 C ATOM 1021 CD LYS A 135 0.637 4.571 11.117 1.00 0.62 C ATOM 1022 CE LYS A 135 0.370 4.924 12.571 1.00 0.74 C ATOM 1023 NZ LYS A 135 1.177 4.090 13.504 1.00 1.53 N ATOM 0 H LYS A 135 -1.071 0.221 10.155 1.00 0.28 H new ATOM 0 HA LYS A 135 0.373 1.204 7.923 1.00 0.25 H new ATOM 0 HB2 LYS A 135 1.634 2.997 9.185 1.00 0.32 H new ATOM 0 HB3 LYS A 135 0.001 3.417 8.706 1.00 0.32 H new ATOM 0 HG2 LYS A 135 -0.815 2.997 10.984 1.00 0.56 H new ATOM 0 HG3 LYS A 135 0.778 2.462 11.483 1.00 0.56 H new ATOM 0 HD2 LYS A 135 1.694 4.720 10.895 1.00 0.62 H new ATOM 0 HD3 LYS A 135 0.077 5.246 10.470 1.00 0.62 H new ATOM 0 HE2 LYS A 135 0.598 5.977 12.736 1.00 0.74 H new ATOM 0 HE3 LYS A 135 -0.690 4.789 12.788 1.00 0.74 H new ATOM 0 HZ1 LYS A 135 1.137 4.500 14.459 1.00 1.53 H new ATOM 0 HZ2 LYS A 135 0.793 3.124 13.526 1.00 1.53 H new ATOM 0 HZ3 LYS A 135 2.165 4.063 13.180 1.00 1.53 H new ATOM 1037 N GLY A 136 2.575 0.498 9.110 1.00 0.30 N ATOM 1038 CA GLY A 136 3.675 -0.269 9.649 1.00 0.38 C ATOM 1039 C GLY A 136 4.826 -0.347 8.679 1.00 0.34 C ATOM 1040 O GLY A 136 5.130 0.629 7.994 1.00 0.29 O ATOM 0 H GLY A 136 2.816 1.088 8.314 1.00 0.30 H new ATOM 0 HA2 GLY A 136 4.014 0.185 10.580 1.00 0.38 H new ATOM 0 HA3 GLY A 136 3.333 -1.275 9.891 1.00 0.38 H new ATOM 1044 N PHE A 137 5.451 -1.508 8.606 1.00 0.38 N ATOM 1045 CA PHE A 137 6.566 -1.722 7.704 1.00 0.32 C ATOM 1046 C PHE A 137 6.364 -3.017 6.932 1.00 0.33 C ATOM 1047 O PHE A 137 5.581 -3.870 7.356 1.00 0.46 O ATOM 1048 CB PHE A 137 7.889 -1.742 8.477 1.00 0.42 C ATOM 1049 CG PHE A 137 7.910 -2.714 9.628 1.00 1.07 C ATOM 1050 CD1 PHE A 137 8.222 -4.050 9.426 1.00 2.05 C ATOM 1051 CD2 PHE A 137 7.620 -2.288 10.915 1.00 1.81 C ATOM 1052 CE1 PHE A 137 8.244 -4.938 10.483 1.00 2.86 C ATOM 1053 CE2 PHE A 137 7.641 -3.172 11.975 1.00 2.60 C ATOM 1054 CZ PHE A 137 7.953 -4.500 11.759 1.00 2.93 C ATOM 0 H PHE A 137 5.202 -2.323 9.166 1.00 0.38 H new ATOM 0 HA PHE A 137 6.610 -0.898 6.992 1.00 0.32 H new ATOM 0 HB2 PHE A 137 8.697 -1.992 7.789 1.00 0.42 H new ATOM 0 HB3 PHE A 137 8.092 -0.741 8.856 1.00 0.42 H new ATOM 0 HD1 PHE A 137 8.450 -4.400 8.430 1.00 2.05 H new ATOM 0 HD2 PHE A 137 7.374 -1.251 11.091 1.00 1.81 H new ATOM 0 HE1 PHE A 137 8.489 -5.976 10.311 1.00 2.86 H new ATOM 0 HE2 PHE A 137 7.414 -2.826 12.972 1.00 2.60 H new ATOM 0 HZ PHE A 137 7.969 -5.194 12.586 1.00 2.93 H new ATOM 1064 N VAL A 138 7.033 -3.166 5.800 1.00 0.27 N ATOM 1065 CA VAL A 138 6.806 -4.334 4.960 1.00 0.41 C ATOM 1066 C VAL A 138 7.433 -5.593 5.561 1.00 0.70 C ATOM 1067 O VAL A 138 6.710 -6.450 6.074 1.00 1.41 O ATOM 1068 CB VAL A 138 7.349 -4.113 3.529 1.00 0.53 C ATOM 1069 CG1 VAL A 138 7.099 -5.334 2.661 1.00 0.76 C ATOM 1070 CG2 VAL A 138 6.723 -2.878 2.896 1.00 0.48 C ATOM 0 H VAL A 138 7.726 -2.507 5.445 1.00 0.27 H new ATOM 0 HA VAL A 138 5.727 -4.477 4.908 1.00 0.41 H new ATOM 0 HB VAL A 138 8.425 -3.956 3.601 1.00 0.53 H new ATOM 0 HG11 VAL A 138 7.490 -5.155 1.659 1.00 0.76 H new ATOM 0 HG12 VAL A 138 7.600 -6.199 3.096 1.00 0.76 H new ATOM 0 HG13 VAL A 138 6.028 -5.526 2.603 1.00 0.76 H new ATOM 0 HG21 VAL A 138 7.121 -2.744 1.890 1.00 0.48 H new ATOM 0 HG22 VAL A 138 5.642 -3.004 2.845 1.00 0.48 H new ATOM 0 HG23 VAL A 138 6.958 -2.001 3.499 1.00 0.48 H new ATOM 1080 N SER A 139 8.772 -5.656 5.543 1.00 0.32 N ATOM 1081 CA SER A 139 9.545 -6.804 6.047 1.00 0.51 C ATOM 1082 C SER A 139 8.803 -8.140 5.913 1.00 0.39 C ATOM 1083 O SER A 139 8.532 -8.813 6.910 1.00 1.13 O ATOM 1084 CB SER A 139 9.935 -6.561 7.503 1.00 1.03 C ATOM 1085 OG SER A 139 10.701 -5.375 7.623 1.00 1.68 O ATOM 0 H SER A 139 9.356 -4.905 5.175 1.00 0.32 H new ATOM 0 HA SER A 139 10.437 -6.884 5.426 1.00 0.51 H new ATOM 0 HB2 SER A 139 9.038 -6.485 8.117 1.00 1.03 H new ATOM 0 HB3 SER A 139 10.507 -7.409 7.878 1.00 1.03 H new ATOM 0 HG SER A 139 11.580 -5.590 7.999 1.00 1.68 H new ATOM 1091 N ASN A 140 8.472 -8.523 4.688 1.00 0.51 N ATOM 1092 CA ASN A 140 7.736 -9.761 4.459 1.00 0.34 C ATOM 1093 C ASN A 140 8.126 -10.373 3.118 1.00 0.27 C ATOM 1094 O ASN A 140 7.624 -9.979 2.065 1.00 0.37 O ATOM 1095 CB ASN A 140 6.228 -9.493 4.530 1.00 0.37 C ATOM 1096 CG ASN A 140 5.387 -10.750 4.405 1.00 0.38 C ATOM 1097 OD1 ASN A 140 5.836 -11.850 4.726 1.00 0.94 O ATOM 1098 ND2 ASN A 140 4.148 -10.588 3.966 1.00 0.88 N ATOM 0 H ASN A 140 8.699 -8.000 3.842 1.00 0.51 H new ATOM 0 HA ASN A 140 7.993 -10.478 5.238 1.00 0.34 H new ATOM 0 HB2 ASN A 140 5.998 -9.003 5.476 1.00 0.37 H new ATOM 0 HB3 ASN A 140 5.952 -8.799 3.736 1.00 0.37 H new ATOM 0 HD21 ASN A 140 3.527 -11.393 3.884 1.00 0.88 H new ATOM 0 HD22 ASN A 140 3.815 -9.658 3.710 1.00 0.88 H new ATOM 1105 N GLN A 141 9.038 -11.335 3.179 1.00 0.35 N ATOM 1106 CA GLN A 141 9.618 -11.954 1.989 1.00 0.32 C ATOM 1107 C GLN A 141 8.734 -13.097 1.488 1.00 0.30 C ATOM 1108 O GLN A 141 8.907 -14.246 1.898 1.00 0.36 O ATOM 1109 CB GLN A 141 11.008 -12.500 2.335 1.00 0.39 C ATOM 1110 CG GLN A 141 11.876 -12.867 1.138 1.00 0.39 C ATOM 1111 CD GLN A 141 12.624 -11.675 0.574 1.00 0.52 C ATOM 1112 OE1 GLN A 141 13.716 -11.342 1.032 1.00 0.69 O ATOM 1113 NE2 GLN A 141 12.061 -11.040 -0.438 1.00 0.63 N ATOM 0 H GLN A 141 9.399 -11.710 4.056 1.00 0.35 H new ATOM 0 HA GLN A 141 9.693 -11.203 1.202 1.00 0.32 H new ATOM 0 HB2 GLN A 141 11.535 -11.756 2.931 1.00 0.39 H new ATOM 0 HB3 GLN A 141 10.888 -13.384 2.962 1.00 0.39 H new ATOM 0 HG2 GLN A 141 12.592 -13.634 1.434 1.00 0.39 H new ATOM 0 HG3 GLN A 141 11.249 -13.300 0.358 1.00 0.39 H new ATOM 0 HE21 GLN A 141 11.154 -11.345 -0.791 1.00 0.63 H new ATOM 0 HE22 GLN A 141 12.533 -10.244 -0.867 1.00 0.63 H new ATOM 1122 N ILE A 142 7.784 -12.786 0.615 1.00 0.25 N ATOM 1123 CA ILE A 142 6.918 -13.819 0.051 1.00 0.27 C ATOM 1124 C ILE A 142 7.559 -14.450 -1.179 1.00 0.30 C ATOM 1125 O ILE A 142 7.131 -15.506 -1.644 1.00 0.37 O ATOM 1126 CB ILE A 142 5.516 -13.288 -0.323 1.00 0.27 C ATOM 1127 CG1 ILE A 142 5.606 -12.172 -1.370 1.00 0.24 C ATOM 1128 CG2 ILE A 142 4.794 -12.795 0.922 1.00 0.29 C ATOM 1129 CD1 ILE A 142 4.272 -11.829 -1.997 1.00 0.26 C ATOM 0 H ILE A 142 7.593 -11.840 0.284 1.00 0.25 H new ATOM 0 HA ILE A 142 6.793 -14.569 0.832 1.00 0.27 H new ATOM 0 HB ILE A 142 4.947 -14.108 -0.760 1.00 0.27 H new ATOM 0 HG12 ILE A 142 6.021 -11.278 -0.903 1.00 0.24 H new ATOM 0 HG13 ILE A 142 6.301 -12.474 -2.154 1.00 0.24 H new ATOM 0 HG21 ILE A 142 3.807 -12.423 0.647 1.00 0.29 H new ATOM 0 HG22 ILE A 142 4.688 -13.617 1.630 1.00 0.29 H new ATOM 0 HG23 ILE A 142 5.369 -11.992 1.382 1.00 0.29 H new ATOM 0 HD11 ILE A 142 4.408 -11.032 -2.728 1.00 0.26 H new ATOM 0 HD12 ILE A 142 3.865 -12.711 -2.492 1.00 0.26 H new ATOM 0 HD13 ILE A 142 3.581 -11.497 -1.223 1.00 0.26 H new ATOM 1141 N GLY A 143 8.578 -13.788 -1.699 1.00 0.28 N ATOM 1142 CA GLY A 143 9.334 -14.319 -2.813 1.00 0.34 C ATOM 1143 C GLY A 143 10.738 -13.769 -2.794 1.00 0.40 C ATOM 1144 O GLY A 143 11.009 -12.842 -2.039 1.00 0.53 O ATOM 0 H GLY A 143 8.899 -12.880 -1.364 1.00 0.28 H new ATOM 0 HA2 GLY A 143 9.360 -15.407 -2.759 1.00 0.34 H new ATOM 0 HA3 GLY A 143 8.845 -14.058 -3.752 1.00 0.34 H new ATOM 1148 N ASP A 144 11.621 -14.311 -3.624 1.00 0.48 N ATOM 1149 CA ASP A 144 13.032 -13.912 -3.616 1.00 0.56 C ATOM 1150 C ASP A 144 13.187 -12.418 -3.891 1.00 0.48 C ATOM 1151 O ASP A 144 14.093 -11.772 -3.366 1.00 0.56 O ATOM 1152 CB ASP A 144 13.841 -14.719 -4.643 1.00 0.70 C ATOM 1153 CG ASP A 144 13.485 -14.395 -6.082 1.00 1.63 C ATOM 1154 OD1 ASP A 144 12.557 -15.029 -6.626 1.00 2.49 O ATOM 1155 OD2 ASP A 144 14.137 -13.514 -6.684 1.00 2.30 O ATOM 0 H ASP A 144 11.390 -15.028 -4.312 1.00 0.48 H new ATOM 0 HA ASP A 144 13.422 -14.123 -2.620 1.00 0.56 H new ATOM 0 HB2 ASP A 144 14.903 -14.529 -4.488 1.00 0.70 H new ATOM 0 HB3 ASP A 144 13.679 -15.782 -4.467 1.00 0.70 H new ATOM 1160 N SER A 145 12.293 -11.878 -4.703 1.00 0.38 N ATOM 1161 CA SER A 145 12.305 -10.461 -5.020 1.00 0.35 C ATOM 1162 C SER A 145 10.909 -9.877 -4.869 1.00 0.31 C ATOM 1163 O SER A 145 10.528 -8.951 -5.588 1.00 0.36 O ATOM 1164 CB SER A 145 12.813 -10.242 -6.445 1.00 0.38 C ATOM 1165 OG SER A 145 14.102 -10.813 -6.618 1.00 1.08 O ATOM 0 H SER A 145 11.546 -12.404 -5.157 1.00 0.38 H new ATOM 0 HA SER A 145 12.976 -9.954 -4.326 1.00 0.35 H new ATOM 0 HB2 SER A 145 12.116 -10.686 -7.156 1.00 0.38 H new ATOM 0 HB3 SER A 145 12.852 -9.174 -6.661 1.00 0.38 H new ATOM 0 HG SER A 145 14.028 -11.790 -6.630 1.00 1.08 H new ATOM 1171 N LEU A 146 10.150 -10.413 -3.927 1.00 0.27 N ATOM 1172 CA LEU A 146 8.776 -9.999 -3.755 1.00 0.22 C ATOM 1173 C LEU A 146 8.439 -9.843 -2.277 1.00 0.21 C ATOM 1174 O LEU A 146 8.688 -10.745 -1.470 1.00 0.23 O ATOM 1175 CB LEU A 146 7.848 -11.021 -4.407 1.00 0.23 C ATOM 1176 CG LEU A 146 6.497 -10.483 -4.859 1.00 0.23 C ATOM 1177 CD1 LEU A 146 6.674 -9.458 -5.968 1.00 0.26 C ATOM 1178 CD2 LEU A 146 5.608 -11.624 -5.319 1.00 0.27 C ATOM 0 H LEU A 146 10.464 -11.132 -3.275 1.00 0.27 H new ATOM 0 HA LEU A 146 8.638 -9.031 -4.236 1.00 0.22 H new ATOM 0 HB2 LEU A 146 8.357 -11.449 -5.271 1.00 0.23 H new ATOM 0 HB3 LEU A 146 7.678 -11.834 -3.701 1.00 0.23 H new ATOM 0 HG LEU A 146 6.017 -9.988 -4.014 1.00 0.23 H new ATOM 0 HD11 LEU A 146 5.698 -9.085 -6.278 1.00 0.26 H new ATOM 0 HD12 LEU A 146 7.280 -8.629 -5.604 1.00 0.26 H new ATOM 0 HD13 LEU A 146 7.171 -9.924 -6.819 1.00 0.26 H new ATOM 0 HD21 LEU A 146 4.645 -11.228 -5.640 1.00 0.27 H new ATOM 0 HD22 LEU A 146 6.083 -12.142 -6.152 1.00 0.27 H new ATOM 0 HD23 LEU A 146 5.457 -12.322 -4.496 1.00 0.27 H new ATOM 1190 N TYR A 147 7.889 -8.692 -1.927 1.00 0.18 N ATOM 1191 CA TYR A 147 7.492 -8.404 -0.559 1.00 0.18 C ATOM 1192 C TYR A 147 6.008 -8.065 -0.520 1.00 0.16 C ATOM 1193 O TYR A 147 5.453 -7.609 -1.511 1.00 0.19 O ATOM 1194 CB TYR A 147 8.321 -7.245 0.004 1.00 0.19 C ATOM 1195 CG TYR A 147 9.786 -7.577 0.204 1.00 0.23 C ATOM 1196 CD1 TYR A 147 10.261 -7.998 1.441 1.00 1.21 C ATOM 1197 CD2 TYR A 147 10.694 -7.473 -0.843 1.00 1.10 C ATOM 1198 CE1 TYR A 147 11.595 -8.308 1.626 1.00 1.24 C ATOM 1199 CE2 TYR A 147 12.029 -7.779 -0.666 1.00 1.10 C ATOM 1200 CZ TYR A 147 12.474 -8.198 0.570 1.00 0.36 C ATOM 1201 OH TYR A 147 13.803 -8.510 0.748 1.00 0.43 O ATOM 0 H TYR A 147 7.705 -7.932 -2.582 1.00 0.18 H new ATOM 0 HA TYR A 147 7.673 -9.284 0.059 1.00 0.18 H new ATOM 0 HB2 TYR A 147 8.241 -6.393 -0.671 1.00 0.19 H new ATOM 0 HB3 TYR A 147 7.895 -6.937 0.959 1.00 0.19 H new ATOM 0 HD1 TYR A 147 9.576 -8.084 2.271 1.00 1.21 H new ATOM 0 HD2 TYR A 147 10.349 -7.147 -1.813 1.00 1.10 H new ATOM 0 HE1 TYR A 147 11.947 -8.635 2.593 1.00 1.24 H new ATOM 0 HE2 TYR A 147 12.720 -7.691 -1.491 1.00 1.10 H new ATOM 0 HH TYR A 147 13.898 -9.477 0.876 1.00 0.43 H new ATOM 1211 N LYS A 148 5.362 -8.290 0.612 1.00 0.17 N ATOM 1212 CA LYS A 148 3.919 -8.105 0.694 1.00 0.18 C ATOM 1213 C LYS A 148 3.487 -7.581 2.063 1.00 0.19 C ATOM 1214 O LYS A 148 4.068 -7.930 3.085 1.00 0.28 O ATOM 1215 CB LYS A 148 3.235 -9.439 0.390 1.00 0.26 C ATOM 1216 CG LYS A 148 1.719 -9.420 0.480 1.00 0.34 C ATOM 1217 CD LYS A 148 1.154 -10.807 0.227 1.00 0.50 C ATOM 1218 CE LYS A 148 -0.354 -10.847 0.400 1.00 0.62 C ATOM 1219 NZ LYS A 148 -0.891 -12.219 0.201 1.00 0.84 N ATOM 0 H LYS A 148 5.805 -8.597 1.478 1.00 0.17 H new ATOM 0 HA LYS A 148 3.621 -7.355 -0.039 1.00 0.18 H new ATOM 0 HB2 LYS A 148 3.520 -9.756 -0.613 1.00 0.26 H new ATOM 0 HB3 LYS A 148 3.615 -10.191 1.082 1.00 0.26 H new ATOM 0 HG2 LYS A 148 1.412 -9.070 1.465 1.00 0.34 H new ATOM 0 HG3 LYS A 148 1.314 -8.717 -0.249 1.00 0.34 H new ATOM 0 HD2 LYS A 148 1.412 -11.125 -0.783 1.00 0.50 H new ATOM 0 HD3 LYS A 148 1.617 -11.517 0.912 1.00 0.50 H new ATOM 0 HE2 LYS A 148 -0.616 -10.494 1.397 1.00 0.62 H new ATOM 0 HE3 LYS A 148 -0.821 -10.166 -0.312 1.00 0.62 H new ATOM 0 HZ1 LYS A 148 -1.923 -12.209 0.327 1.00 0.84 H new ATOM 0 HZ2 LYS A 148 -0.662 -12.545 -0.760 1.00 0.84 H new ATOM 0 HZ3 LYS A 148 -0.464 -12.863 0.897 1.00 0.84 H new ATOM 1233 N ILE A 149 2.464 -6.742 2.058 1.00 0.15 N ATOM 1234 CA ILE A 149 1.883 -6.197 3.277 1.00 0.18 C ATOM 1235 C ILE A 149 0.385 -6.462 3.300 1.00 0.22 C ATOM 1236 O ILE A 149 -0.231 -6.621 2.245 1.00 0.35 O ATOM 1237 CB ILE A 149 2.142 -4.681 3.398 1.00 0.18 C ATOM 1238 CG1 ILE A 149 1.845 -3.971 2.070 1.00 0.19 C ATOM 1239 CG2 ILE A 149 3.571 -4.432 3.834 1.00 0.19 C ATOM 1240 CD1 ILE A 149 2.076 -2.475 2.105 1.00 0.20 C ATOM 0 H ILE A 149 2.010 -6.417 1.204 1.00 0.15 H new ATOM 0 HA ILE A 149 2.359 -6.692 4.124 1.00 0.18 H new ATOM 0 HB ILE A 149 1.472 -4.271 4.153 1.00 0.18 H new ATOM 0 HG12 ILE A 149 2.469 -4.406 1.290 1.00 0.19 H new ATOM 0 HG13 ILE A 149 0.808 -4.162 1.792 1.00 0.19 H new ATOM 0 HG21 ILE A 149 3.744 -3.359 3.917 1.00 0.19 H new ATOM 0 HG22 ILE A 149 3.743 -4.903 4.802 1.00 0.19 H new ATOM 0 HG23 ILE A 149 4.255 -4.854 3.098 1.00 0.19 H new ATOM 0 HD11 ILE A 149 1.844 -2.048 1.129 1.00 0.20 H new ATOM 0 HD12 ILE A 149 1.432 -2.025 2.861 1.00 0.20 H new ATOM 0 HD13 ILE A 149 3.119 -2.273 2.350 1.00 0.20 H new ATOM 1252 N GLU A 150 -0.198 -6.516 4.489 1.00 0.24 N ATOM 1253 CA GLU A 150 -1.612 -6.828 4.630 1.00 0.27 C ATOM 1254 C GLU A 150 -2.208 -6.113 5.840 1.00 0.24 C ATOM 1255 O GLU A 150 -1.544 -5.928 6.860 1.00 0.31 O ATOM 1256 CB GLU A 150 -1.790 -8.344 4.767 1.00 0.40 C ATOM 1257 CG GLU A 150 -3.240 -8.802 4.762 1.00 1.08 C ATOM 1258 CD GLU A 150 -3.379 -10.296 4.954 1.00 1.55 C ATOM 1259 OE1 GLU A 150 -3.316 -10.758 6.113 1.00 2.03 O ATOM 1260 OE2 GLU A 150 -3.553 -11.016 3.948 1.00 2.30 O ATOM 0 H GLU A 150 0.287 -6.348 5.370 1.00 0.24 H new ATOM 0 HA GLU A 150 -2.139 -6.481 3.741 1.00 0.27 H new ATOM 0 HB2 GLU A 150 -1.262 -8.836 3.950 1.00 0.40 H new ATOM 0 HB3 GLU A 150 -1.320 -8.672 5.694 1.00 0.40 H new ATOM 0 HG2 GLU A 150 -3.783 -8.286 5.554 1.00 1.08 H new ATOM 0 HG3 GLU A 150 -3.704 -8.516 3.818 1.00 1.08 H new ATOM 1267 N THR A 151 -3.458 -5.687 5.702 1.00 0.21 N ATOM 1268 CA THR A 151 -4.189 -5.058 6.788 1.00 0.23 C ATOM 1269 C THR A 151 -4.600 -6.106 7.814 1.00 0.24 C ATOM 1270 O THR A 151 -4.941 -7.235 7.453 1.00 0.27 O ATOM 1271 CB THR A 151 -5.439 -4.342 6.249 1.00 0.25 C ATOM 1272 OG1 THR A 151 -6.320 -5.293 5.640 1.00 0.25 O ATOM 1273 CG2 THR A 151 -5.047 -3.288 5.228 1.00 0.29 C ATOM 0 H THR A 151 -3.990 -5.769 4.835 1.00 0.21 H new ATOM 0 HA THR A 151 -3.540 -4.323 7.264 1.00 0.23 H new ATOM 0 HB THR A 151 -5.947 -3.856 7.082 1.00 0.25 H new ATOM 0 HG1 THR A 151 -7.226 -5.173 5.993 1.00 0.25 H new ATOM 0 HG21 THR A 151 -5.943 -2.791 4.856 1.00 0.29 H new ATOM 0 HG22 THR A 151 -4.392 -2.553 5.697 1.00 0.29 H new ATOM 0 HG23 THR A 151 -4.524 -3.763 4.397 1.00 0.29 H new ATOM 1281 N LYS A 152 -4.586 -5.727 9.083 1.00 0.31 N ATOM 1282 CA LYS A 152 -4.767 -6.681 10.171 1.00 0.38 C ATOM 1283 C LYS A 152 -6.237 -7.045 10.371 1.00 0.39 C ATOM 1284 O LYS A 152 -6.551 -8.082 10.953 1.00 0.51 O ATOM 1285 CB LYS A 152 -4.192 -6.098 11.466 1.00 0.48 C ATOM 1286 CG LYS A 152 -4.253 -7.043 12.653 1.00 0.80 C ATOM 1287 CD LYS A 152 -3.763 -6.370 13.923 1.00 1.02 C ATOM 1288 CE LYS A 152 -3.856 -7.308 15.113 1.00 1.99 C ATOM 1289 NZ LYS A 152 -3.447 -6.647 16.377 1.00 2.42 N ATOM 0 H LYS A 152 -4.451 -4.763 9.387 1.00 0.31 H new ATOM 0 HA LYS A 152 -4.236 -7.595 9.907 1.00 0.38 H new ATOM 0 HB2 LYS A 152 -3.154 -5.814 11.294 1.00 0.48 H new ATOM 0 HB3 LYS A 152 -4.735 -5.186 11.713 1.00 0.48 H new ATOM 0 HG2 LYS A 152 -5.278 -7.387 12.794 1.00 0.80 H new ATOM 0 HG3 LYS A 152 -3.646 -7.925 12.449 1.00 0.80 H new ATOM 0 HD2 LYS A 152 -2.730 -6.047 13.791 1.00 1.02 H new ATOM 0 HD3 LYS A 152 -4.355 -5.475 14.115 1.00 1.02 H new ATOM 0 HE2 LYS A 152 -4.879 -7.671 15.209 1.00 1.99 H new ATOM 0 HE3 LYS A 152 -3.224 -8.179 14.938 1.00 1.99 H new ATOM 0 HZ1 LYS A 152 -3.526 -7.323 17.163 1.00 2.42 H new ATOM 0 HZ2 LYS A 152 -2.462 -6.323 16.296 1.00 2.42 H new ATOM 0 HZ3 LYS A 152 -4.066 -5.831 16.558 1.00 2.42 H new ATOM 1303 N LYS A 153 -7.135 -6.203 9.883 1.00 0.37 N ATOM 1304 CA LYS A 153 -8.558 -6.405 10.124 1.00 0.43 C ATOM 1305 C LYS A 153 -9.380 -6.178 8.862 1.00 0.40 C ATOM 1306 O LYS A 153 -8.996 -5.401 7.987 1.00 0.40 O ATOM 1307 CB LYS A 153 -9.041 -5.459 11.229 1.00 0.51 C ATOM 1308 CG LYS A 153 -8.875 -3.984 10.889 1.00 0.57 C ATOM 1309 CD LYS A 153 -9.424 -3.090 11.988 1.00 0.66 C ATOM 1310 CE LYS A 153 -9.210 -1.620 11.661 1.00 0.69 C ATOM 1311 NZ LYS A 153 -9.738 -0.726 12.726 1.00 1.29 N ATOM 0 H LYS A 153 -6.909 -5.381 9.323 1.00 0.37 H new ATOM 0 HA LYS A 153 -8.697 -7.440 10.436 1.00 0.43 H new ATOM 0 HB2 LYS A 153 -10.093 -5.660 11.432 1.00 0.51 H new ATOM 0 HB3 LYS A 153 -8.492 -5.675 12.146 1.00 0.51 H new ATOM 0 HG2 LYS A 153 -7.819 -3.763 10.733 1.00 0.57 H new ATOM 0 HG3 LYS A 153 -9.388 -3.766 9.952 1.00 0.57 H new ATOM 0 HD2 LYS A 153 -10.488 -3.284 12.121 1.00 0.66 H new ATOM 0 HD3 LYS A 153 -8.936 -3.330 12.933 1.00 0.66 H new ATOM 0 HE2 LYS A 153 -8.145 -1.431 11.525 1.00 0.69 H new ATOM 0 HE3 LYS A 153 -9.699 -1.385 10.716 1.00 0.69 H new ATOM 0 HZ1 LYS A 153 -9.571 0.266 12.461 1.00 1.29 H new ATOM 0 HZ2 LYS A 153 -10.759 -0.887 12.839 1.00 1.29 H new ATOM 0 HZ3 LYS A 153 -9.254 -0.931 13.623 1.00 1.29 H new ATOM 1325 N LYS A 154 -10.508 -6.876 8.773 1.00 0.43 N ATOM 1326 CA LYS A 154 -11.470 -6.644 7.708 1.00 0.44 C ATOM 1327 C LYS A 154 -12.232 -5.362 8.013 1.00 0.53 C ATOM 1328 O LYS A 154 -13.047 -5.323 8.937 1.00 0.67 O ATOM 1329 CB LYS A 154 -12.458 -7.809 7.595 1.00 0.44 C ATOM 1330 CG LYS A 154 -11.805 -9.170 7.417 1.00 0.47 C ATOM 1331 CD LYS A 154 -12.852 -10.268 7.332 1.00 0.54 C ATOM 1332 CE LYS A 154 -12.216 -11.647 7.257 1.00 0.66 C ATOM 1333 NZ LYS A 154 -13.229 -12.722 7.090 1.00 1.41 N ATOM 0 H LYS A 154 -10.776 -7.609 9.430 1.00 0.43 H new ATOM 0 HA LYS A 154 -10.937 -6.558 6.761 1.00 0.44 H new ATOM 0 HB2 LYS A 154 -13.079 -7.832 8.491 1.00 0.44 H new ATOM 0 HB3 LYS A 154 -13.123 -7.625 6.751 1.00 0.44 H new ATOM 0 HG2 LYS A 154 -11.198 -9.171 6.512 1.00 0.47 H new ATOM 0 HG3 LYS A 154 -11.133 -9.367 8.252 1.00 0.47 H new ATOM 0 HD2 LYS A 154 -13.506 -10.216 8.203 1.00 0.54 H new ATOM 0 HD3 LYS A 154 -13.477 -10.107 6.454 1.00 0.54 H new ATOM 0 HE2 LYS A 154 -11.515 -11.677 6.423 1.00 0.66 H new ATOM 0 HE3 LYS A 154 -11.640 -11.830 8.164 1.00 0.66 H new ATOM 0 HZ1 LYS A 154 -12.752 -13.645 7.044 1.00 1.41 H new ATOM 0 HZ2 LYS A 154 -13.883 -12.711 7.898 1.00 1.41 H new ATOM 0 HZ3 LYS A 154 -13.762 -12.563 6.211 1.00 1.41 H new ATOM 1347 N MET A 155 -11.956 -4.319 7.254 1.00 0.61 N ATOM 1348 CA MET A 155 -12.518 -3.004 7.526 1.00 0.76 C ATOM 1349 C MET A 155 -13.876 -2.825 6.869 1.00 0.62 C ATOM 1350 O MET A 155 -14.233 -3.550 5.941 1.00 0.57 O ATOM 1351 CB MET A 155 -11.553 -1.925 7.050 1.00 1.01 C ATOM 1352 CG MET A 155 -10.305 -1.824 7.907 1.00 1.22 C ATOM 1353 SD MET A 155 -8.897 -1.167 7.005 1.00 0.95 S ATOM 1354 CE MET A 155 -8.633 -2.488 5.824 1.00 0.80 C ATOM 0 H MET A 155 -11.343 -4.354 6.439 1.00 0.61 H new ATOM 0 HA MET A 155 -12.663 -2.915 8.603 1.00 0.76 H new ATOM 0 HB2 MET A 155 -11.264 -2.133 6.020 1.00 1.01 H new ATOM 0 HB3 MET A 155 -12.065 -0.963 7.049 1.00 1.01 H new ATOM 0 HG2 MET A 155 -10.510 -1.186 8.767 1.00 1.22 H new ATOM 0 HG3 MET A 155 -10.054 -2.811 8.295 1.00 1.22 H new ATOM 0 HE1 MET A 155 -7.738 -3.047 6.097 1.00 0.80 H new ATOM 0 HE2 MET A 155 -9.494 -3.157 5.828 1.00 0.80 H new ATOM 0 HE3 MET A 155 -8.507 -2.065 4.827 1.00 0.80 H new ATOM 1364 N LYS A 156 -14.623 -1.851 7.368 1.00 0.65 N ATOM 1365 CA LYS A 156 -15.960 -1.560 6.872 1.00 0.59 C ATOM 1366 C LYS A 156 -15.899 -0.926 5.482 1.00 0.44 C ATOM 1367 O LYS A 156 -14.842 -0.444 5.068 1.00 0.42 O ATOM 1368 CB LYS A 156 -16.683 -0.631 7.852 1.00 0.72 C ATOM 1369 CG LYS A 156 -16.880 -1.245 9.228 1.00 1.28 C ATOM 1370 CD LYS A 156 -17.624 -0.306 10.160 1.00 1.79 C ATOM 1371 CE LYS A 156 -17.771 -0.907 11.549 1.00 2.54 C ATOM 1372 NZ LYS A 156 -16.453 -1.118 12.203 1.00 3.40 N ATOM 0 H LYS A 156 -14.320 -1.241 8.127 1.00 0.65 H new ATOM 0 HA LYS A 156 -16.514 -2.495 6.791 1.00 0.59 H new ATOM 0 HB2 LYS A 156 -16.114 0.293 7.952 1.00 0.72 H new ATOM 0 HB3 LYS A 156 -17.655 -0.364 7.438 1.00 0.72 H new ATOM 0 HG2 LYS A 156 -17.434 -2.179 9.134 1.00 1.28 H new ATOM 0 HG3 LYS A 156 -15.910 -1.492 9.659 1.00 1.28 H new ATOM 0 HD2 LYS A 156 -17.090 0.642 10.226 1.00 1.79 H new ATOM 0 HD3 LYS A 156 -18.610 -0.089 9.749 1.00 1.79 H new ATOM 0 HE2 LYS A 156 -18.382 -0.249 12.167 1.00 2.54 H new ATOM 0 HE3 LYS A 156 -18.298 -1.858 11.479 1.00 2.54 H new ATOM 0 HZ1 LYS A 156 -16.593 -1.284 13.220 1.00 3.40 H new ATOM 0 HZ2 LYS A 156 -15.983 -1.943 11.779 1.00 3.40 H new ATOM 0 HZ3 LYS A 156 -15.859 -0.275 12.068 1.00 3.40 H new ATOM 1386 N PRO A 157 -17.030 -0.932 4.743 1.00 0.46 N ATOM 1387 CA PRO A 157 -17.116 -0.352 3.397 1.00 0.41 C ATOM 1388 C PRO A 157 -16.494 1.037 3.295 1.00 0.37 C ATOM 1389 O PRO A 157 -16.715 1.895 4.150 1.00 0.46 O ATOM 1390 CB PRO A 157 -18.621 -0.274 3.156 1.00 0.52 C ATOM 1391 CG PRO A 157 -19.167 -1.424 3.919 1.00 0.63 C ATOM 1392 CD PRO A 157 -18.317 -1.530 5.155 1.00 0.63 C ATOM 0 HA PRO A 157 -16.568 -0.949 2.668 1.00 0.41 H new ATOM 0 HB2 PRO A 157 -19.033 0.671 3.509 1.00 0.52 H new ATOM 0 HB3 PRO A 157 -18.860 -0.349 2.095 1.00 0.52 H new ATOM 0 HG2 PRO A 157 -20.214 -1.262 4.176 1.00 0.63 H new ATOM 0 HG3 PRO A 157 -19.121 -2.341 3.332 1.00 0.63 H new ATOM 0 HD2 PRO A 157 -18.759 -0.992 5.993 1.00 0.63 H new ATOM 0 HD3 PRO A 157 -18.195 -2.566 5.470 1.00 0.63 H new ATOM 1400 N GLY A 158 -15.731 1.251 2.235 1.00 0.32 N ATOM 1401 CA GLY A 158 -15.033 2.501 2.045 1.00 0.33 C ATOM 1402 C GLY A 158 -13.964 2.372 0.985 1.00 0.27 C ATOM 1403 O GLY A 158 -13.817 1.309 0.384 1.00 0.27 O ATOM 0 H GLY A 158 -15.582 0.568 1.492 1.00 0.32 H new ATOM 0 HA2 GLY A 158 -15.742 3.277 1.758 1.00 0.33 H new ATOM 0 HA3 GLY A 158 -14.581 2.815 2.986 1.00 0.33 H new ATOM 1407 N ILE A 159 -13.210 3.432 0.759 1.00 0.29 N ATOM 1408 CA ILE A 159 -12.162 3.408 -0.247 1.00 0.26 C ATOM 1409 C ILE A 159 -10.806 3.428 0.433 1.00 0.21 C ATOM 1410 O ILE A 159 -10.537 4.294 1.265 1.00 0.24 O ATOM 1411 CB ILE A 159 -12.276 4.602 -1.215 1.00 0.30 C ATOM 1412 CG1 ILE A 159 -13.722 4.738 -1.710 1.00 0.40 C ATOM 1413 CG2 ILE A 159 -11.310 4.433 -2.382 1.00 0.29 C ATOM 1414 CD1 ILE A 159 -13.941 5.897 -2.651 1.00 0.44 C ATOM 0 H ILE A 159 -13.302 4.318 1.256 1.00 0.29 H new ATOM 0 HA ILE A 159 -12.274 2.494 -0.830 1.00 0.26 H new ATOM 0 HB ILE A 159 -12.007 5.517 -0.687 1.00 0.30 H new ATOM 0 HG12 ILE A 159 -14.012 3.815 -2.213 1.00 0.40 H new ATOM 0 HG13 ILE A 159 -14.381 4.852 -0.849 1.00 0.40 H new ATOM 0 HG21 ILE A 159 -11.402 5.284 -3.057 1.00 0.29 H new ATOM 0 HG22 ILE A 159 -10.289 4.378 -2.004 1.00 0.29 H new ATOM 0 HG23 ILE A 159 -11.547 3.515 -2.921 1.00 0.29 H new ATOM 0 HD11 ILE A 159 -14.987 5.925 -2.956 1.00 0.44 H new ATOM 0 HD12 ILE A 159 -13.685 6.829 -2.147 1.00 0.44 H new ATOM 0 HD13 ILE A 159 -13.310 5.775 -3.531 1.00 0.44 H new ATOM 1426 N TYR A 160 -9.964 2.465 0.104 1.00 0.18 N ATOM 1427 CA TYR A 160 -8.683 2.329 0.775 1.00 0.17 C ATOM 1428 C TYR A 160 -7.553 2.216 -0.233 1.00 0.16 C ATOM 1429 O TYR A 160 -7.761 1.798 -1.372 1.00 0.19 O ATOM 1430 CB TYR A 160 -8.683 1.097 1.688 1.00 0.21 C ATOM 1431 CG TYR A 160 -9.761 1.109 2.756 1.00 0.23 C ATOM 1432 CD1 TYR A 160 -9.499 1.573 4.039 1.00 1.20 C ATOM 1433 CD2 TYR A 160 -11.042 0.648 2.477 1.00 1.24 C ATOM 1434 CE1 TYR A 160 -10.483 1.576 5.010 1.00 1.23 C ATOM 1435 CE2 TYR A 160 -12.028 0.652 3.442 1.00 1.24 C ATOM 1436 CZ TYR A 160 -11.745 1.114 4.705 1.00 0.35 C ATOM 1437 OH TYR A 160 -12.731 1.124 5.666 1.00 0.43 O ATOM 0 H TYR A 160 -10.142 1.769 -0.620 1.00 0.18 H new ATOM 0 HA TYR A 160 -8.526 3.222 1.379 1.00 0.17 H new ATOM 0 HB2 TYR A 160 -8.807 0.205 1.074 1.00 0.21 H new ATOM 0 HB3 TYR A 160 -7.710 1.019 2.172 1.00 0.21 H new ATOM 0 HD1 TYR A 160 -8.512 1.937 4.282 1.00 1.20 H new ATOM 0 HD2 TYR A 160 -11.270 0.280 1.487 1.00 1.24 H new ATOM 0 HE1 TYR A 160 -10.264 1.939 6.003 1.00 1.23 H new ATOM 0 HE2 TYR A 160 -13.019 0.293 3.206 1.00 1.24 H new ATOM 0 HH TYR A 160 -13.561 0.766 5.287 1.00 0.43 H new ATOM 1447 N ALA A 161 -6.363 2.601 0.197 1.00 0.14 N ATOM 1448 CA ALA A 161 -5.166 2.487 -0.619 1.00 0.14 C ATOM 1449 C ALA A 161 -3.934 2.482 0.270 1.00 0.14 C ATOM 1450 O ALA A 161 -3.969 2.986 1.396 1.00 0.14 O ATOM 1451 CB ALA A 161 -5.088 3.628 -1.617 1.00 0.14 C ATOM 0 H ALA A 161 -6.200 3.001 1.121 1.00 0.14 H new ATOM 0 HA ALA A 161 -5.210 1.550 -1.174 1.00 0.14 H new ATOM 0 HB1 ALA A 161 -4.185 3.524 -2.218 1.00 0.14 H new ATOM 0 HB2 ALA A 161 -5.962 3.603 -2.268 1.00 0.14 H new ATOM 0 HB3 ALA A 161 -5.061 4.578 -1.083 1.00 0.14 H new ATOM 1457 N PHE A 162 -2.852 1.915 -0.237 1.00 0.14 N ATOM 1458 CA PHE A 162 -1.609 1.835 0.515 1.00 0.15 C ATOM 1459 C PHE A 162 -0.663 2.945 0.088 1.00 0.15 C ATOM 1460 O PHE A 162 -0.411 3.137 -1.101 1.00 0.15 O ATOM 1461 CB PHE A 162 -0.936 0.473 0.322 1.00 0.17 C ATOM 1462 CG PHE A 162 -1.713 -0.677 0.904 1.00 0.18 C ATOM 1463 CD1 PHE A 162 -2.661 -1.350 0.148 1.00 1.13 C ATOM 1464 CD2 PHE A 162 -1.491 -1.086 2.210 1.00 1.15 C ATOM 1465 CE1 PHE A 162 -3.369 -2.408 0.684 1.00 1.13 C ATOM 1466 CE2 PHE A 162 -2.197 -2.144 2.750 1.00 1.16 C ATOM 1467 CZ PHE A 162 -3.137 -2.805 1.986 1.00 0.24 C ATOM 0 H PHE A 162 -2.809 1.502 -1.169 1.00 0.14 H new ATOM 0 HA PHE A 162 -1.847 1.954 1.572 1.00 0.15 H new ATOM 0 HB2 PHE A 162 -0.790 0.298 -0.744 1.00 0.17 H new ATOM 0 HB3 PHE A 162 0.053 0.499 0.779 1.00 0.17 H new ATOM 0 HD1 PHE A 162 -2.848 -1.044 -0.871 1.00 1.13 H new ATOM 0 HD2 PHE A 162 -0.757 -0.571 2.813 1.00 1.15 H new ATOM 0 HE1 PHE A 162 -4.104 -2.925 0.085 1.00 1.13 H new ATOM 0 HE2 PHE A 162 -2.013 -2.453 3.768 1.00 1.16 H new ATOM 0 HZ PHE A 162 -3.691 -3.632 2.406 1.00 0.24 H new ATOM 1477 N LYS A 163 -0.162 3.673 1.066 1.00 0.16 N ATOM 1478 CA LYS A 163 0.752 4.774 0.829 1.00 0.18 C ATOM 1479 C LYS A 163 2.124 4.444 1.399 1.00 0.20 C ATOM 1480 O LYS A 163 2.320 4.457 2.615 1.00 0.23 O ATOM 1481 CB LYS A 163 0.202 6.052 1.476 1.00 0.23 C ATOM 1482 CG LYS A 163 1.144 7.249 1.412 1.00 0.31 C ATOM 1483 CD LYS A 163 0.494 8.485 2.025 1.00 0.45 C ATOM 1484 CE LYS A 163 1.507 9.580 2.321 1.00 0.74 C ATOM 1485 NZ LYS A 163 2.512 9.141 3.320 1.00 1.28 N ATOM 0 H LYS A 163 -0.378 3.518 2.051 1.00 0.16 H new ATOM 0 HA LYS A 163 0.849 4.934 -0.245 1.00 0.18 H new ATOM 0 HB2 LYS A 163 -0.736 6.317 0.987 1.00 0.23 H new ATOM 0 HB3 LYS A 163 -0.031 5.844 2.520 1.00 0.23 H new ATOM 0 HG2 LYS A 163 2.068 7.018 1.942 1.00 0.31 H new ATOM 0 HG3 LYS A 163 1.413 7.451 0.375 1.00 0.31 H new ATOM 0 HD2 LYS A 163 -0.265 8.869 1.344 1.00 0.45 H new ATOM 0 HD3 LYS A 163 -0.016 8.206 2.947 1.00 0.45 H new ATOM 0 HE2 LYS A 163 2.012 9.868 1.399 1.00 0.74 H new ATOM 0 HE3 LYS A 163 0.989 10.465 2.690 1.00 0.74 H new ATOM 0 HZ1 LYS A 163 2.999 9.973 3.711 1.00 1.28 H new ATOM 0 HZ2 LYS A 163 2.036 8.626 4.088 1.00 1.28 H new ATOM 0 HZ3 LYS A 163 3.206 8.516 2.863 1.00 1.28 H new ATOM 1499 N VAL A 164 3.059 4.127 0.524 1.00 0.22 N ATOM 1500 CA VAL A 164 4.427 3.872 0.941 1.00 0.26 C ATOM 1501 C VAL A 164 5.281 5.085 0.590 1.00 0.33 C ATOM 1502 O VAL A 164 5.058 5.731 -0.435 1.00 0.34 O ATOM 1503 CB VAL A 164 5.007 2.588 0.286 1.00 0.28 C ATOM 1504 CG1 VAL A 164 4.081 1.404 0.521 1.00 0.27 C ATOM 1505 CG2 VAL A 164 5.263 2.778 -1.200 1.00 0.29 C ATOM 0 H VAL A 164 2.898 4.040 -0.479 1.00 0.22 H new ATOM 0 HA VAL A 164 4.436 3.706 2.018 1.00 0.26 H new ATOM 0 HB VAL A 164 5.967 2.384 0.760 1.00 0.28 H new ATOM 0 HG11 VAL A 164 4.503 0.514 0.055 1.00 0.27 H new ATOM 0 HG12 VAL A 164 3.971 1.235 1.592 1.00 0.27 H new ATOM 0 HG13 VAL A 164 3.105 1.613 0.084 1.00 0.27 H new ATOM 0 HG21 VAL A 164 5.668 1.857 -1.620 1.00 0.29 H new ATOM 0 HG22 VAL A 164 4.327 3.025 -1.702 1.00 0.29 H new ATOM 0 HG23 VAL A 164 5.977 3.588 -1.345 1.00 0.29 H new ATOM 1515 N TYR A 165 6.218 5.437 1.454 1.00 0.45 N ATOM 1516 CA TYR A 165 7.056 6.596 1.194 1.00 0.57 C ATOM 1517 C TYR A 165 8.498 6.348 1.603 1.00 0.70 C ATOM 1518 O TYR A 165 9.021 6.981 2.524 1.00 1.67 O ATOM 1519 CB TYR A 165 6.488 7.858 1.865 1.00 0.62 C ATOM 1520 CG TYR A 165 6.119 7.721 3.331 1.00 0.63 C ATOM 1521 CD1 TYR A 165 6.970 8.180 4.330 1.00 1.30 C ATOM 1522 CD2 TYR A 165 4.904 7.169 3.712 1.00 1.38 C ATOM 1523 CE1 TYR A 165 6.620 8.089 5.664 1.00 1.31 C ATOM 1524 CE2 TYR A 165 4.551 7.069 5.043 1.00 1.45 C ATOM 1525 CZ TYR A 165 5.410 7.532 6.013 1.00 0.79 C ATOM 1526 OH TYR A 165 5.052 7.453 7.339 1.00 0.93 O ATOM 0 H TYR A 165 6.416 4.947 2.327 1.00 0.45 H new ATOM 0 HA TYR A 165 7.052 6.766 0.117 1.00 0.57 H new ATOM 0 HB2 TYR A 165 7.221 8.659 1.768 1.00 0.62 H new ATOM 0 HB3 TYR A 165 5.601 8.170 1.315 1.00 0.62 H new ATOM 0 HD1 TYR A 165 7.921 8.615 4.059 1.00 1.30 H new ATOM 0 HD2 TYR A 165 4.223 6.811 2.954 1.00 1.38 H new ATOM 0 HE1 TYR A 165 7.291 8.452 6.428 1.00 1.31 H new ATOM 0 HE2 TYR A 165 3.605 6.629 5.322 1.00 1.45 H new ATOM 0 HH TYR A 165 4.077 7.504 7.418 1.00 0.93 H new ATOM 1536 N LYS A 166 9.129 5.412 0.894 1.00 0.48 N ATOM 1537 CA LYS A 166 10.555 5.127 1.049 1.00 0.49 C ATOM 1538 C LYS A 166 10.831 4.456 2.407 1.00 0.46 C ATOM 1539 O LYS A 166 9.923 4.328 3.233 1.00 0.55 O ATOM 1540 CB LYS A 166 11.376 6.425 0.883 1.00 0.57 C ATOM 1541 CG LYS A 166 11.002 7.255 -0.350 1.00 0.71 C ATOM 1542 CD LYS A 166 11.060 6.458 -1.654 1.00 0.94 C ATOM 1543 CE LYS A 166 12.471 5.993 -1.993 1.00 1.35 C ATOM 1544 NZ LYS A 166 12.555 5.435 -3.371 1.00 1.53 N ATOM 0 H LYS A 166 8.666 4.830 0.196 1.00 0.48 H new ATOM 0 HA LYS A 166 10.863 4.429 0.270 1.00 0.49 H new ATOM 0 HB2 LYS A 166 11.246 7.040 1.774 1.00 0.57 H new ATOM 0 HB3 LYS A 166 12.434 6.167 0.826 1.00 0.57 H new ATOM 0 HG2 LYS A 166 9.996 7.654 -0.220 1.00 0.71 H new ATOM 0 HG3 LYS A 166 11.676 8.109 -0.423 1.00 0.71 H new ATOM 0 HD2 LYS A 166 10.405 5.591 -1.575 1.00 0.94 H new ATOM 0 HD3 LYS A 166 10.678 7.073 -2.469 1.00 0.94 H new ATOM 0 HE2 LYS A 166 13.162 6.830 -1.898 1.00 1.35 H new ATOM 0 HE3 LYS A 166 12.786 5.236 -1.275 1.00 1.35 H new ATOM 0 HZ1 LYS A 166 13.058 4.525 -3.347 1.00 1.53 H new ATOM 0 HZ2 LYS A 166 11.596 5.291 -3.746 1.00 1.53 H new ATOM 0 HZ3 LYS A 166 13.070 6.099 -3.984 1.00 1.53 H new ATOM 1558 N PRO A 167 12.065 3.967 2.647 1.00 0.44 N ATOM 1559 CA PRO A 167 12.436 3.378 3.943 1.00 0.47 C ATOM 1560 C PRO A 167 12.285 4.370 5.092 1.00 0.47 C ATOM 1561 O PRO A 167 12.550 5.564 4.933 1.00 0.50 O ATOM 1562 CB PRO A 167 13.908 2.996 3.757 1.00 0.58 C ATOM 1563 CG PRO A 167 14.079 2.870 2.285 1.00 0.60 C ATOM 1564 CD PRO A 167 13.181 3.906 1.686 1.00 0.49 C ATOM 0 HA PRO A 167 11.795 2.536 4.205 1.00 0.47 H new ATOM 0 HB2 PRO A 167 14.570 3.757 4.169 1.00 0.58 H new ATOM 0 HB3 PRO A 167 14.142 2.060 4.265 1.00 0.58 H new ATOM 0 HG2 PRO A 167 15.117 3.036 1.995 1.00 0.60 H new ATOM 0 HG3 PRO A 167 13.808 1.871 1.943 1.00 0.60 H new ATOM 0 HD2 PRO A 167 13.683 4.868 1.588 1.00 0.49 H new ATOM 0 HD3 PRO A 167 12.842 3.620 0.690 1.00 0.49 H new ATOM 1572 N ALA A 168 11.845 3.867 6.239 1.00 0.53 N ATOM 1573 CA ALA A 168 11.649 4.692 7.422 1.00 0.64 C ATOM 1574 C ALA A 168 12.967 5.315 7.869 1.00 0.71 C ATOM 1575 O ALA A 168 13.853 4.624 8.372 1.00 0.76 O ATOM 1576 CB ALA A 168 11.046 3.866 8.548 1.00 0.72 C ATOM 0 H ALA A 168 11.616 2.882 6.374 1.00 0.53 H new ATOM 0 HA ALA A 168 10.958 5.496 7.169 1.00 0.64 H new ATOM 0 HB1 ALA A 168 10.905 4.496 9.426 1.00 0.72 H new ATOM 0 HB2 ALA A 168 10.083 3.466 8.230 1.00 0.72 H new ATOM 0 HB3 ALA A 168 11.717 3.043 8.795 1.00 0.72 H new ATOM 1582 N GLY A 169 13.094 6.621 7.676 1.00 0.82 N ATOM 1583 CA GLY A 169 14.319 7.303 8.034 1.00 0.95 C ATOM 1584 C GLY A 169 15.078 7.801 6.822 1.00 0.96 C ATOM 1585 O GLY A 169 15.966 8.644 6.943 1.00 1.14 O ATOM 0 H GLY A 169 12.370 7.219 7.278 1.00 0.82 H new ATOM 0 HA2 GLY A 169 14.086 8.146 8.685 1.00 0.95 H new ATOM 0 HA3 GLY A 169 14.955 6.626 8.605 1.00 0.95 H new ATOM 1589 N TYR A 170 14.736 7.284 5.649 1.00 0.80 N ATOM 1590 CA TYR A 170 15.389 7.707 4.420 1.00 0.82 C ATOM 1591 C TYR A 170 14.640 8.891 3.815 1.00 0.86 C ATOM 1592 O TYR A 170 13.444 8.790 3.532 1.00 0.89 O ATOM 1593 CB TYR A 170 15.446 6.553 3.412 1.00 0.83 C ATOM 1594 CG TYR A 170 16.285 6.857 2.183 1.00 0.91 C ATOM 1595 CD1 TYR A 170 15.719 7.456 1.064 1.00 1.15 C ATOM 1596 CD2 TYR A 170 17.639 6.539 2.138 1.00 1.74 C ATOM 1597 CE1 TYR A 170 16.474 7.732 -0.059 1.00 1.21 C ATOM 1598 CE2 TYR A 170 18.401 6.815 1.016 1.00 1.82 C ATOM 1599 CZ TYR A 170 17.812 7.411 -0.078 1.00 1.11 C ATOM 1600 OH TYR A 170 18.560 7.685 -1.198 1.00 1.24 O ATOM 0 H TYR A 170 14.014 6.575 5.524 1.00 0.80 H new ATOM 0 HA TYR A 170 16.409 8.009 4.656 1.00 0.82 H new ATOM 0 HB2 TYR A 170 15.849 5.670 3.907 1.00 0.83 H new ATOM 0 HB3 TYR A 170 14.432 6.307 3.097 1.00 0.83 H new ATOM 0 HD1 TYR A 170 14.669 7.710 1.073 1.00 1.15 H new ATOM 0 HD2 TYR A 170 18.103 6.069 2.993 1.00 1.74 H new ATOM 0 HE1 TYR A 170 16.016 8.198 -0.919 1.00 1.21 H new ATOM 0 HE2 TYR A 170 19.451 6.565 0.998 1.00 1.82 H new ATOM 0 HH TYR A 170 19.486 7.399 -1.051 1.00 1.24 H new ATOM 1666 N THR A 176 7.912 11.469 -3.093 1.00 0.64 N ATOM 1667 CA THR A 176 7.593 11.692 -1.696 1.00 0.90 C ATOM 1668 C THR A 176 6.570 10.671 -1.200 1.00 0.80 C ATOM 1669 O THR A 176 6.460 10.420 0.002 1.00 1.05 O ATOM 1670 CB THR A 176 7.056 13.122 -1.489 1.00 1.30 C ATOM 1671 OG1 THR A 176 7.870 14.053 -2.220 1.00 1.49 O ATOM 1672 CG2 THR A 176 7.065 13.501 -0.014 1.00 1.76 C ATOM 0 HA THR A 176 8.509 11.571 -1.117 1.00 0.90 H new ATOM 0 HB THR A 176 6.029 13.156 -1.852 1.00 1.30 H new ATOM 0 HG1 THR A 176 8.242 13.611 -3.012 1.00 1.49 H new ATOM 0 HG21 THR A 176 6.681 14.514 0.104 1.00 1.76 H new ATOM 0 HG22 THR A 176 6.435 12.808 0.544 1.00 1.76 H new ATOM 0 HG23 THR A 176 8.085 13.453 0.368 1.00 1.76 H new ATOM 1680 N PHE A 177 5.827 10.077 -2.128 1.00 0.52 N ATOM 1681 CA PHE A 177 4.829 9.074 -1.780 1.00 0.45 C ATOM 1682 C PHE A 177 4.459 8.219 -2.990 1.00 0.41 C ATOM 1683 O PHE A 177 4.452 8.701 -4.123 1.00 0.50 O ATOM 1684 CB PHE A 177 3.569 9.743 -1.198 1.00 0.49 C ATOM 1685 CG PHE A 177 3.003 10.860 -2.043 1.00 0.55 C ATOM 1686 CD1 PHE A 177 3.263 12.187 -1.727 1.00 1.37 C ATOM 1687 CD2 PHE A 177 2.206 10.586 -3.148 1.00 1.31 C ATOM 1688 CE1 PHE A 177 2.743 13.213 -2.495 1.00 1.46 C ATOM 1689 CE2 PHE A 177 1.686 11.610 -3.917 1.00 1.38 C ATOM 1690 CZ PHE A 177 1.954 12.923 -3.591 1.00 0.86 C ATOM 0 H PHE A 177 5.898 10.273 -3.126 1.00 0.52 H new ATOM 0 HA PHE A 177 5.264 8.422 -1.023 1.00 0.45 H new ATOM 0 HB2 PHE A 177 2.800 8.983 -1.062 1.00 0.49 H new ATOM 0 HB3 PHE A 177 3.806 10.137 -0.210 1.00 0.49 H new ATOM 0 HD1 PHE A 177 3.879 12.421 -0.871 1.00 1.37 H new ATOM 0 HD2 PHE A 177 1.990 9.560 -3.409 1.00 1.31 H new ATOM 0 HE1 PHE A 177 2.954 14.241 -2.238 1.00 1.46 H new ATOM 0 HE2 PHE A 177 1.069 11.382 -4.774 1.00 1.38 H new ATOM 0 HZ PHE A 177 1.548 13.723 -4.192 1.00 0.86 H new ATOM 1700 N GLU A 178 4.168 6.948 -2.746 1.00 0.34 N ATOM 1701 CA GLU A 178 3.672 6.060 -3.783 1.00 0.32 C ATOM 1702 C GLU A 178 2.373 5.417 -3.316 1.00 0.28 C ATOM 1703 O GLU A 178 2.330 4.775 -2.264 1.00 0.28 O ATOM 1704 CB GLU A 178 4.711 4.983 -4.127 1.00 0.37 C ATOM 1705 CG GLU A 178 4.253 4.007 -5.204 1.00 0.40 C ATOM 1706 CD GLU A 178 5.355 3.072 -5.663 1.00 1.20 C ATOM 1707 OE1 GLU A 178 5.624 2.067 -4.975 1.00 1.91 O ATOM 1708 OE2 GLU A 178 5.952 3.332 -6.729 1.00 1.96 O ATOM 0 H GLU A 178 4.269 6.509 -1.831 1.00 0.34 H new ATOM 0 HA GLU A 178 3.485 6.641 -4.686 1.00 0.32 H new ATOM 0 HB2 GLU A 178 5.629 5.469 -4.457 1.00 0.37 H new ATOM 0 HB3 GLU A 178 4.954 4.424 -3.223 1.00 0.37 H new ATOM 0 HG2 GLU A 178 3.420 3.418 -4.822 1.00 0.40 H new ATOM 0 HG3 GLU A 178 3.880 4.568 -6.061 1.00 0.40 H new ATOM 1715 N TRP A 179 1.315 5.616 -4.084 1.00 0.28 N ATOM 1716 CA TRP A 179 0.012 5.077 -3.735 1.00 0.26 C ATOM 1717 C TRP A 179 -0.277 3.798 -4.496 1.00 0.27 C ATOM 1718 O TRP A 179 0.046 3.675 -5.680 1.00 0.38 O ATOM 1719 CB TRP A 179 -1.105 6.072 -4.054 1.00 0.27 C ATOM 1720 CG TRP A 179 -1.167 7.263 -3.153 1.00 0.27 C ATOM 1721 CD1 TRP A 179 -0.678 8.510 -3.407 1.00 0.32 C ATOM 1722 CD2 TRP A 179 -1.781 7.327 -1.861 1.00 0.24 C ATOM 1723 NE1 TRP A 179 -0.962 9.346 -2.359 1.00 0.32 N ATOM 1724 CE2 TRP A 179 -1.632 8.645 -1.397 1.00 0.27 C ATOM 1725 CE3 TRP A 179 -2.445 6.399 -1.049 1.00 0.20 C ATOM 1726 CZ2 TRP A 179 -2.120 9.064 -0.167 1.00 0.27 C ATOM 1727 CZ3 TRP A 179 -2.928 6.817 0.175 1.00 0.21 C ATOM 1728 CH2 TRP A 179 -2.765 8.141 0.605 1.00 0.24 C ATOM 0 H TRP A 179 1.333 6.148 -4.954 1.00 0.28 H new ATOM 0 HA TRP A 179 0.039 4.877 -2.664 1.00 0.26 H new ATOM 0 HB2 TRP A 179 -0.981 6.418 -5.080 1.00 0.27 H new ATOM 0 HB3 TRP A 179 -2.061 5.550 -4.007 1.00 0.27 H new ATOM 0 HD1 TRP A 179 -0.146 8.797 -4.302 1.00 0.32 H new ATOM 0 HE1 TRP A 179 -0.713 10.334 -2.306 1.00 0.32 H new ATOM 0 HE3 TRP A 179 -2.577 5.377 -1.374 1.00 0.20 H new ATOM 0 HZ2 TRP A 179 -1.994 10.083 0.167 1.00 0.27 H new ATOM 0 HZ3 TRP A 179 -3.440 6.111 0.812 1.00 0.21 H new ATOM 0 HH2 TRP A 179 -3.158 8.437 1.567 1.00 0.24 H new ATOM 1739 N SER A 180 -0.887 2.853 -3.811 1.00 0.23 N ATOM 1740 CA SER A 180 -1.477 1.707 -4.469 1.00 0.28 C ATOM 1741 C SER A 180 -2.796 2.146 -5.085 1.00 0.28 C ATOM 1742 O SER A 180 -3.373 3.150 -4.659 1.00 0.36 O ATOM 1743 CB SER A 180 -1.719 0.575 -3.465 1.00 0.33 C ATOM 1744 OG SER A 180 -2.228 -0.576 -4.108 1.00 1.06 O ATOM 0 H SER A 180 -0.987 2.857 -2.796 1.00 0.23 H new ATOM 0 HA SER A 180 -0.802 1.333 -5.239 1.00 0.28 H new ATOM 0 HB2 SER A 180 -0.786 0.329 -2.958 1.00 0.33 H new ATOM 0 HB3 SER A 180 -2.420 0.908 -2.699 1.00 0.33 H new ATOM 0 HG SER A 180 -2.521 -1.224 -3.434 1.00 1.06 H new ATOM 1750 N GLU A 181 -3.262 1.426 -6.090 1.00 0.31 N ATOM 1751 CA GLU A 181 -4.542 1.747 -6.700 1.00 0.38 C ATOM 1752 C GLU A 181 -5.659 1.598 -5.675 1.00 0.34 C ATOM 1753 O GLU A 181 -5.643 0.667 -4.870 1.00 0.49 O ATOM 1754 CB GLU A 181 -4.798 0.874 -7.927 1.00 0.56 C ATOM 1755 CG GLU A 181 -3.869 1.204 -9.086 1.00 0.74 C ATOM 1756 CD GLU A 181 -3.836 2.692 -9.384 1.00 1.38 C ATOM 1757 OE1 GLU A 181 -2.950 3.393 -8.847 1.00 2.12 O ATOM 1758 OE2 GLU A 181 -4.701 3.172 -10.146 1.00 1.91 O ATOM 0 H GLU A 181 -2.781 0.624 -6.498 1.00 0.31 H new ATOM 0 HA GLU A 181 -4.518 2.783 -7.037 1.00 0.38 H new ATOM 0 HB2 GLU A 181 -4.674 -0.174 -7.654 1.00 0.56 H new ATOM 0 HB3 GLU A 181 -5.832 1.000 -8.248 1.00 0.56 H new ATOM 0 HG2 GLU A 181 -2.862 0.859 -8.853 1.00 0.74 H new ATOM 0 HG3 GLU A 181 -4.193 0.663 -9.975 1.00 0.74 H new ATOM 1765 N PRO A 182 -6.635 2.520 -5.683 1.00 0.29 N ATOM 1766 CA PRO A 182 -7.649 2.592 -4.645 1.00 0.26 C ATOM 1767 C PRO A 182 -8.757 1.568 -4.845 1.00 0.28 C ATOM 1768 O PRO A 182 -9.497 1.615 -5.831 1.00 0.32 O ATOM 1769 CB PRO A 182 -8.209 4.018 -4.767 1.00 0.29 C ATOM 1770 CG PRO A 182 -7.583 4.627 -5.988 1.00 0.35 C ATOM 1771 CD PRO A 182 -6.859 3.530 -6.722 1.00 0.39 C ATOM 0 HA PRO A 182 -7.230 2.374 -3.663 1.00 0.26 H new ATOM 0 HB2 PRO A 182 -9.295 4.000 -4.857 1.00 0.29 H new ATOM 0 HB3 PRO A 182 -7.973 4.603 -3.879 1.00 0.29 H new ATOM 0 HG2 PRO A 182 -8.345 5.077 -6.625 1.00 0.35 H new ATOM 0 HG3 PRO A 182 -6.892 5.422 -5.708 1.00 0.35 H new ATOM 0 HD2 PRO A 182 -7.455 3.135 -7.545 1.00 0.39 H new ATOM 0 HD3 PRO A 182 -5.920 3.883 -7.149 1.00 0.39 H new ATOM 1779 N MET A 183 -8.854 0.636 -3.914 1.00 0.28 N ATOM 1780 CA MET A 183 -9.913 -0.358 -3.938 1.00 0.30 C ATOM 1781 C MET A 183 -11.074 0.100 -3.071 1.00 0.26 C ATOM 1782 O MET A 183 -10.880 0.608 -1.963 1.00 0.25 O ATOM 1783 CB MET A 183 -9.412 -1.735 -3.472 1.00 0.34 C ATOM 1784 CG MET A 183 -8.593 -1.708 -2.190 1.00 0.29 C ATOM 1785 SD MET A 183 -6.893 -1.166 -2.469 1.00 0.31 S ATOM 1786 CE MET A 183 -6.260 -1.121 -0.799 1.00 0.27 C ATOM 0 H MET A 183 -8.209 0.546 -3.129 1.00 0.28 H new ATOM 0 HA MET A 183 -10.250 -0.462 -4.969 1.00 0.30 H new ATOM 0 HB2 MET A 183 -10.271 -2.390 -3.326 1.00 0.34 H new ATOM 0 HB3 MET A 183 -8.808 -2.175 -4.265 1.00 0.34 H new ATOM 0 HG2 MET A 183 -9.070 -1.042 -1.471 1.00 0.29 H new ATOM 0 HG3 MET A 183 -8.586 -2.703 -1.746 1.00 0.29 H new ATOM 0 HE1 MET A 183 -5.254 -0.702 -0.802 1.00 0.27 H new ATOM 0 HE2 MET A 183 -6.909 -0.501 -0.180 1.00 0.27 H new ATOM 0 HE3 MET A 183 -6.230 -2.132 -0.394 1.00 0.27 H new ATOM 1796 N ARG A 184 -12.278 -0.070 -3.587 1.00 0.28 N ATOM 1797 CA ARG A 184 -13.476 0.355 -2.888 1.00 0.29 C ATOM 1798 C ARG A 184 -14.222 -0.856 -2.357 1.00 0.31 C ATOM 1799 O ARG A 184 -14.691 -1.690 -3.129 1.00 0.39 O ATOM 1800 CB ARG A 184 -14.398 1.140 -3.826 1.00 0.35 C ATOM 1801 CG ARG A 184 -13.728 2.302 -4.548 1.00 1.17 C ATOM 1802 CD ARG A 184 -14.632 2.865 -5.637 1.00 1.16 C ATOM 1803 NE ARG A 184 -14.786 1.930 -6.754 1.00 1.88 N ATOM 1804 CZ ARG A 184 -15.917 1.284 -7.047 1.00 2.24 C ATOM 1805 NH1 ARG A 184 -16.998 1.445 -6.294 1.00 1.94 N ATOM 1806 NH2 ARG A 184 -15.962 0.466 -8.090 1.00 3.32 N ATOM 0 H ARG A 184 -12.452 -0.503 -4.494 1.00 0.28 H new ATOM 0 HA ARG A 184 -13.178 0.998 -2.060 1.00 0.29 H new ATOM 0 HB2 ARG A 184 -14.807 0.455 -4.569 1.00 0.35 H new ATOM 0 HB3 ARG A 184 -15.239 1.524 -3.249 1.00 0.35 H new ATOM 0 HG2 ARG A 184 -13.484 3.087 -3.832 1.00 1.17 H new ATOM 0 HG3 ARG A 184 -12.788 1.968 -4.988 1.00 1.17 H new ATOM 0 HD2 ARG A 184 -15.611 3.092 -5.215 1.00 1.16 H new ATOM 0 HD3 ARG A 184 -14.218 3.804 -6.004 1.00 1.16 H new ATOM 0 HE ARG A 184 -13.974 1.761 -7.348 1.00 1.88 H new ATOM 0 HH11 ARG A 184 -16.968 2.066 -5.485 1.00 1.94 H new ATOM 0 HH12 ARG A 184 -17.859 0.948 -6.524 1.00 1.94 H new ATOM 0 HH21 ARG A 184 -15.133 0.331 -8.668 1.00 3.32 H new ATOM 0 HH22 ARG A 184 -16.826 -0.028 -8.314 1.00 3.32 H new ATOM 1820 N LEU A 185 -14.326 -0.953 -1.045 1.00 0.28 N ATOM 1821 CA LEU A 185 -15.082 -2.030 -0.428 1.00 0.32 C ATOM 1822 C LEU A 185 -16.536 -1.604 -0.329 1.00 0.36 C ATOM 1823 O LEU A 185 -16.871 -0.688 0.421 1.00 0.51 O ATOM 1824 CB LEU A 185 -14.536 -2.372 0.966 1.00 0.36 C ATOM 1825 CG LEU A 185 -13.030 -2.640 1.051 1.00 0.46 C ATOM 1826 CD1 LEU A 185 -12.667 -3.197 2.418 1.00 0.75 C ATOM 1827 CD2 LEU A 185 -12.581 -3.595 -0.038 1.00 0.74 C ATOM 0 H LEU A 185 -13.898 -0.302 -0.386 1.00 0.28 H new ATOM 0 HA LEU A 185 -14.990 -2.925 -1.043 1.00 0.32 H new ATOM 0 HB2 LEU A 185 -14.777 -1.550 1.640 1.00 0.36 H new ATOM 0 HB3 LEU A 185 -15.063 -3.252 1.335 1.00 0.36 H new ATOM 0 HG LEU A 185 -12.513 -1.692 0.906 1.00 0.46 H new ATOM 0 HD11 LEU A 185 -11.594 -3.382 2.462 1.00 0.75 H new ATOM 0 HD12 LEU A 185 -12.943 -2.478 3.189 1.00 0.75 H new ATOM 0 HD13 LEU A 185 -13.203 -4.131 2.584 1.00 0.75 H new ATOM 0 HD21 LEU A 185 -11.508 -3.766 0.048 1.00 0.74 H new ATOM 0 HD22 LEU A 185 -13.109 -4.543 0.068 1.00 0.74 H new ATOM 0 HD23 LEU A 185 -12.803 -3.164 -1.014 1.00 0.74 H new