USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 640 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 22 LYS NZ :NH3+ -133:sc= 0.752 (180deg=0) USER MOD Set 1.2: A 42 GLN : amide:sc= 0.168! C(o=0.92!,f=-12!) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc= -1.23 K(o=-1.2,f=-4.9!) USER MOD Single : A 8 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.004) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -2.65! USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -40:sc= 0.312 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 169:sc= 1.22 USER MOD Single : A 39 CYS SG : rot 97:sc= -0.189 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 29:sc= 0.185 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.05 USER MOD Single : A 52 SER OG : rot -120:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -168:sc= 0.536 (180deg=0.0335) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.0112 X(o=-0.011,f=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot -179:sc= -2.6! USER MOD ----------------------------------------------------------------- ATOM 27 N GLN A 3 14.107 8.073 5.434 1.00 2.87 N ATOM 28 CA GLN A 3 12.674 8.334 5.382 1.00 2.29 C ATOM 29 C GLN A 3 11.938 7.181 4.709 1.00 1.97 C ATOM 30 O GLN A 3 12.510 6.463 3.888 1.00 2.17 O ATOM 31 CB GLN A 3 12.395 9.639 4.633 1.00 2.41 C ATOM 32 CG GLN A 3 12.967 9.667 3.224 1.00 3.17 C ATOM 33 CD GLN A 3 11.907 9.936 2.172 1.00 3.60 C ATOM 34 OE1 GLN A 3 11.375 11.042 2.080 1.00 3.44 O ATOM 35 NE2 GLN A 3 11.596 8.922 1.373 1.00 4.47 N ATOM 0 HA GLN A 3 12.310 8.428 6.405 1.00 2.29 H new ATOM 0 HB2 GLN A 3 11.318 9.795 4.582 1.00 2.41 H new ATOM 0 HB3 GLN A 3 12.811 10.471 5.202 1.00 2.41 H new ATOM 0 HG2 GLN A 3 13.738 10.435 3.163 1.00 3.17 H new ATOM 0 HG3 GLN A 3 13.450 8.713 3.013 1.00 3.17 H new ATOM 0 HE21 GLN A 3 12.063 8.022 1.486 1.00 4.47 H new ATOM 0 HE22 GLN A 3 10.890 9.043 0.647 1.00 4.47 H new ATOM 44 N VAL A 4 10.670 7.004 5.064 1.00 1.57 N ATOM 45 CA VAL A 4 9.861 5.931 4.494 1.00 1.29 C ATOM 46 C VAL A 4 8.717 6.475 3.646 1.00 1.28 C ATOM 47 O VAL A 4 8.132 7.513 3.955 1.00 1.44 O ATOM 48 CB VAL A 4 9.270 5.011 5.585 1.00 1.17 C ATOM 49 CG1 VAL A 4 10.371 4.394 6.430 1.00 1.39 C ATOM 50 CG2 VAL A 4 8.279 5.770 6.454 1.00 1.57 C ATOM 0 H VAL A 4 10.180 7.588 5.742 1.00 1.57 H new ATOM 0 HA VAL A 4 10.536 5.352 3.864 1.00 1.29 H new ATOM 0 HB VAL A 4 8.734 4.202 5.090 1.00 1.17 H new ATOM 0 HG11 VAL A 4 9.929 3.751 7.191 1.00 1.39 H new ATOM 0 HG12 VAL A 4 11.030 3.803 5.794 1.00 1.39 H new ATOM 0 HG13 VAL A 4 10.945 5.185 6.913 1.00 1.39 H new ATOM 0 HG21 VAL A 4 7.876 5.102 7.215 1.00 1.57 H new ATOM 0 HG22 VAL A 4 8.784 6.607 6.937 1.00 1.57 H new ATOM 0 HG23 VAL A 4 7.465 6.146 5.834 1.00 1.57 H new ATOM 60 N VAL A 5 8.389 5.741 2.590 1.00 1.14 N ATOM 61 CA VAL A 5 7.299 6.105 1.698 1.00 1.22 C ATOM 62 C VAL A 5 6.054 5.323 2.085 1.00 1.03 C ATOM 63 O VAL A 5 6.073 4.093 2.132 1.00 0.92 O ATOM 64 CB VAL A 5 7.643 5.804 0.225 1.00 1.29 C ATOM 65 CG1 VAL A 5 8.838 6.631 -0.224 1.00 1.79 C ATOM 66 CG2 VAL A 5 7.908 4.316 0.027 1.00 1.70 C ATOM 0 H VAL A 5 8.870 4.880 2.330 1.00 1.14 H new ATOM 0 HA VAL A 5 7.128 7.177 1.796 1.00 1.22 H new ATOM 0 HB VAL A 5 6.787 6.080 -0.391 1.00 1.29 H new ATOM 0 HG11 VAL A 5 9.066 6.405 -1.266 1.00 1.79 H new ATOM 0 HG12 VAL A 5 8.605 7.691 -0.125 1.00 1.79 H new ATOM 0 HG13 VAL A 5 9.701 6.390 0.397 1.00 1.79 H new ATOM 0 HG21 VAL A 5 8.149 4.125 -1.019 1.00 1.70 H new ATOM 0 HG22 VAL A 5 8.745 4.009 0.654 1.00 1.70 H new ATOM 0 HG23 VAL A 5 7.020 3.748 0.304 1.00 1.70 H new ATOM 76 N GLN A 6 4.982 6.035 2.398 1.00 1.03 N ATOM 77 CA GLN A 6 3.749 5.388 2.818 1.00 0.85 C ATOM 78 C GLN A 6 2.720 5.318 1.698 1.00 0.83 C ATOM 79 O GLN A 6 2.549 6.264 0.929 1.00 0.94 O ATOM 80 CB GLN A 6 3.154 6.122 4.017 1.00 0.83 C ATOM 81 CG GLN A 6 4.007 6.024 5.270 1.00 1.45 C ATOM 82 CD GLN A 6 4.497 7.376 5.754 1.00 1.81 C ATOM 83 OE1 GLN A 6 5.648 7.520 6.165 1.00 2.26 O ATOM 84 NE2 GLN A 6 3.624 8.377 5.709 1.00 2.01 N ATOM 0 H GLN A 6 4.941 7.054 2.370 1.00 1.03 H new ATOM 0 HA GLN A 6 4.002 4.365 3.096 1.00 0.85 H new ATOM 0 HB2 GLN A 6 3.019 7.173 3.760 1.00 0.83 H new ATOM 0 HB3 GLN A 6 2.165 5.716 4.228 1.00 0.83 H new ATOM 0 HG2 GLN A 6 3.429 5.547 6.062 1.00 1.45 H new ATOM 0 HG3 GLN A 6 4.865 5.382 5.071 1.00 1.45 H new ATOM 0 HE21 GLN A 6 2.679 8.214 5.361 1.00 2.01 H new ATOM 0 HE22 GLN A 6 3.899 9.308 6.023 1.00 2.01 H new ATOM 93 N PHE A 7 2.019 4.191 1.636 1.00 0.74 N ATOM 94 CA PHE A 7 0.983 3.982 0.643 1.00 0.78 C ATOM 95 C PHE A 7 -0.384 4.161 1.301 1.00 0.62 C ATOM 96 O PHE A 7 -0.707 3.479 2.278 1.00 0.55 O ATOM 97 CB PHE A 7 1.117 2.584 0.022 1.00 0.86 C ATOM 98 CG PHE A 7 -0.114 2.112 -0.699 1.00 0.97 C ATOM 99 CD1 PHE A 7 -0.526 2.721 -1.872 1.00 0.98 C ATOM 100 CD2 PHE A 7 -0.862 1.063 -0.194 1.00 1.14 C ATOM 101 CE1 PHE A 7 -1.663 2.292 -2.528 1.00 1.17 C ATOM 102 CE2 PHE A 7 -1.998 0.628 -0.844 1.00 1.29 C ATOM 103 CZ PHE A 7 -2.401 1.243 -2.014 1.00 1.29 C ATOM 0 H PHE A 7 2.155 3.404 2.270 1.00 0.74 H new ATOM 0 HA PHE A 7 1.088 4.713 -0.158 1.00 0.78 H new ATOM 0 HB2 PHE A 7 1.955 2.587 -0.675 1.00 0.86 H new ATOM 0 HB3 PHE A 7 1.360 1.870 0.809 1.00 0.86 H new ATOM 0 HD1 PHE A 7 0.048 3.541 -2.278 1.00 0.98 H new ATOM 0 HD2 PHE A 7 -0.552 0.579 0.720 1.00 1.14 H new ATOM 0 HE1 PHE A 7 -1.975 2.776 -3.442 1.00 1.17 H new ATOM 0 HE2 PHE A 7 -2.572 -0.192 -0.439 1.00 1.29 H new ATOM 0 HZ PHE A 7 -3.290 0.905 -2.525 1.00 1.29 H new ATOM 113 N LYS A 8 -1.170 5.091 0.771 1.00 0.60 N ATOM 114 CA LYS A 8 -2.493 5.375 1.311 1.00 0.54 C ATOM 115 C LYS A 8 -3.585 4.892 0.363 1.00 0.68 C ATOM 116 O LYS A 8 -3.436 4.961 -0.857 1.00 0.77 O ATOM 117 CB LYS A 8 -2.647 6.879 1.567 1.00 0.61 C ATOM 118 CG LYS A 8 -2.782 7.709 0.299 1.00 1.40 C ATOM 119 CD LYS A 8 -1.540 8.551 0.050 1.00 2.22 C ATOM 120 CE LYS A 8 -1.215 9.432 1.245 1.00 1.88 C ATOM 121 NZ LYS A 8 0.133 9.134 1.804 1.00 2.42 N ATOM 0 H LYS A 8 -0.913 5.662 -0.034 1.00 0.60 H new ATOM 0 HA LYS A 8 -2.597 4.839 2.254 1.00 0.54 H new ATOM 0 HB2 LYS A 8 -3.525 7.043 2.192 1.00 0.61 H new ATOM 0 HB3 LYS A 8 -1.783 7.232 2.131 1.00 0.61 H new ATOM 0 HG2 LYS A 8 -2.953 7.050 -0.552 1.00 1.40 H new ATOM 0 HG3 LYS A 8 -3.654 8.359 0.379 1.00 1.40 H new ATOM 0 HD2 LYS A 8 -0.693 7.898 -0.163 1.00 2.22 H new ATOM 0 HD3 LYS A 8 -1.692 9.174 -0.832 1.00 2.22 H new ATOM 0 HE2 LYS A 8 -1.261 10.479 0.947 1.00 1.88 H new ATOM 0 HE3 LYS A 8 -1.969 9.287 2.019 1.00 1.88 H new ATOM 0 HZ1 LYS A 8 0.289 9.707 2.657 1.00 2.42 H new ATOM 0 HZ2 LYS A 8 0.192 8.125 2.049 1.00 2.42 H new ATOM 0 HZ3 LYS A 8 0.860 9.361 1.096 1.00 2.42 H new ATOM 135 N LEU A 9 -4.690 4.412 0.928 1.00 0.86 N ATOM 136 CA LEU A 9 -5.806 3.935 0.119 1.00 1.06 C ATOM 137 C LEU A 9 -6.225 5.031 -0.858 1.00 1.74 C ATOM 138 O LEU A 9 -6.704 6.089 -0.449 1.00 2.24 O ATOM 139 CB LEU A 9 -6.975 3.533 1.036 1.00 1.28 C ATOM 140 CG LEU A 9 -8.234 2.980 0.345 1.00 1.38 C ATOM 141 CD1 LEU A 9 -8.921 4.057 -0.475 1.00 1.75 C ATOM 142 CD2 LEU A 9 -7.905 1.779 -0.520 1.00 1.96 C ATOM 0 H LEU A 9 -4.835 4.344 1.935 1.00 0.86 H new ATOM 0 HA LEU A 9 -5.505 3.057 -0.453 1.00 1.06 H new ATOM 0 HB2 LEU A 9 -6.614 2.782 1.739 1.00 1.28 H new ATOM 0 HB3 LEU A 9 -7.264 4.405 1.622 1.00 1.28 H new ATOM 0 HG LEU A 9 -8.921 2.654 1.126 1.00 1.38 H new ATOM 0 HD11 LEU A 9 -9.808 3.640 -0.953 1.00 1.75 H new ATOM 0 HD12 LEU A 9 -9.213 4.880 0.177 1.00 1.75 H new ATOM 0 HD13 LEU A 9 -8.236 4.425 -1.239 1.00 1.75 H new ATOM 0 HD21 LEU A 9 -8.815 1.412 -0.994 1.00 1.96 H new ATOM 0 HD22 LEU A 9 -7.188 2.069 -1.288 1.00 1.96 H new ATOM 0 HD23 LEU A 9 -7.475 0.991 0.099 1.00 1.96 H new ATOM 154 N SER A 10 -6.029 4.777 -2.148 1.00 2.11 N ATOM 155 CA SER A 10 -6.374 5.750 -3.177 1.00 2.83 C ATOM 156 C SER A 10 -7.131 5.089 -4.323 1.00 2.93 C ATOM 157 O SER A 10 -6.592 4.900 -5.414 1.00 3.26 O ATOM 158 CB SER A 10 -5.110 6.433 -3.707 1.00 3.76 C ATOM 159 OG SER A 10 -5.284 7.837 -3.788 1.00 4.49 O ATOM 0 H SER A 10 -5.634 3.907 -2.505 1.00 2.11 H new ATOM 0 HA SER A 10 -7.023 6.502 -2.727 1.00 2.83 H new ATOM 0 HB2 SER A 10 -4.268 6.205 -3.053 1.00 3.76 H new ATOM 0 HB3 SER A 10 -4.865 6.036 -4.692 1.00 3.76 H new ATOM 0 HG SER A 10 -4.462 8.249 -4.127 1.00 4.49 H new ATOM 165 N ASP A 11 -8.384 4.744 -4.063 1.00 3.22 N ATOM 166 CA ASP A 11 -9.231 4.106 -5.064 1.00 3.68 C ATOM 167 C ASP A 11 -10.570 4.830 -5.177 1.00 3.44 C ATOM 168 O ASP A 11 -11.095 5.021 -6.274 1.00 4.01 O ATOM 169 CB ASP A 11 -9.459 2.636 -4.705 1.00 4.18 C ATOM 170 CG ASP A 11 -8.429 1.720 -5.337 1.00 4.90 C ATOM 171 OD1 ASP A 11 -7.333 1.569 -4.757 1.00 5.41 O ATOM 172 OD2 ASP A 11 -8.719 1.153 -6.411 1.00 5.24 O ATOM 0 H ASP A 11 -8.839 4.896 -3.163 1.00 3.22 H new ATOM 0 HA ASP A 11 -8.724 4.161 -6.028 1.00 3.68 H new ATOM 0 HB2 ASP A 11 -9.428 2.520 -3.622 1.00 4.18 H new ATOM 0 HB3 ASP A 11 -10.456 2.336 -5.029 1.00 4.18 H new ATOM 177 N ILE A 12 -11.116 5.227 -4.032 1.00 2.82 N ATOM 178 CA ILE A 12 -12.393 5.929 -3.988 1.00 2.70 C ATOM 179 C ILE A 12 -12.243 7.293 -3.316 1.00 2.96 C ATOM 180 O ILE A 12 -11.138 7.701 -2.958 1.00 3.29 O ATOM 181 CB ILE A 12 -13.463 5.110 -3.228 1.00 2.58 C ATOM 182 CG1 ILE A 12 -12.826 4.274 -2.109 1.00 1.94 C ATOM 183 CG2 ILE A 12 -14.238 4.218 -4.186 1.00 3.25 C ATOM 184 CD1 ILE A 12 -12.078 3.051 -2.605 1.00 1.97 C ATOM 0 H ILE A 12 -10.691 5.073 -3.118 1.00 2.82 H new ATOM 0 HA ILE A 12 -12.717 6.064 -5.020 1.00 2.70 H new ATOM 0 HB ILE A 12 -14.160 5.812 -2.770 1.00 2.58 H new ATOM 0 HG12 ILE A 12 -12.139 4.904 -1.545 1.00 1.94 H new ATOM 0 HG13 ILE A 12 -13.606 3.955 -1.418 1.00 1.94 H new ATOM 0 HG21 ILE A 12 -14.985 3.651 -3.631 1.00 3.25 H new ATOM 0 HG22 ILE A 12 -14.734 4.834 -4.936 1.00 3.25 H new ATOM 0 HG23 ILE A 12 -13.551 3.529 -4.678 1.00 3.25 H new ATOM 0 HD11 ILE A 12 -11.657 2.513 -1.756 1.00 1.97 H new ATOM 0 HD12 ILE A 12 -12.765 2.398 -3.144 1.00 1.97 H new ATOM 0 HD13 ILE A 12 -11.274 3.362 -3.272 1.00 1.97 H new ATOM 196 N GLY A 13 -13.362 7.993 -3.145 1.00 3.15 N ATOM 197 CA GLY A 13 -13.335 9.301 -2.513 1.00 3.67 C ATOM 198 C GLY A 13 -14.127 9.329 -1.218 1.00 3.84 C ATOM 199 O GLY A 13 -15.225 8.783 -1.145 1.00 3.63 O ATOM 0 H GLY A 13 -14.288 7.677 -3.433 1.00 3.15 H new ATOM 0 HA2 GLY A 13 -12.302 9.584 -2.311 1.00 3.67 H new ATOM 0 HA3 GLY A 13 -13.740 10.043 -3.201 1.00 3.67 H new ATOM 203 N GLU A 14 -13.569 9.965 -0.191 1.00 4.49 N ATOM 204 CA GLU A 14 -14.234 10.057 1.109 1.00 4.81 C ATOM 205 C GLU A 14 -15.709 10.426 0.957 1.00 4.15 C ATOM 206 O GLU A 14 -16.042 11.575 0.667 1.00 4.04 O ATOM 207 CB GLU A 14 -13.532 11.093 1.989 1.00 5.76 C ATOM 208 CG GLU A 14 -13.267 12.411 1.280 1.00 6.16 C ATOM 209 CD GLU A 14 -13.533 13.614 2.164 1.00 7.04 C ATOM 210 OE1 GLU A 14 -14.512 13.578 2.938 1.00 7.72 O ATOM 211 OE2 GLU A 14 -12.761 14.593 2.081 1.00 7.20 O ATOM 0 H GLU A 14 -12.659 10.424 -0.232 1.00 4.49 H new ATOM 0 HA GLU A 14 -14.175 9.077 1.582 1.00 4.81 H new ATOM 0 HB2 GLU A 14 -14.142 11.281 2.872 1.00 5.76 H new ATOM 0 HB3 GLU A 14 -12.585 10.680 2.338 1.00 5.76 H new ATOM 0 HG2 GLU A 14 -12.231 12.435 0.942 1.00 6.16 H new ATOM 0 HG3 GLU A 14 -13.894 12.473 0.390 1.00 6.16 H new ATOM 218 N GLY A 15 -16.588 9.448 1.160 1.00 3.81 N ATOM 219 CA GLY A 15 -18.014 9.704 1.043 1.00 3.32 C ATOM 220 C GLY A 15 -18.818 8.468 0.677 1.00 2.93 C ATOM 221 O GLY A 15 -20.036 8.443 0.856 1.00 3.13 O ATOM 0 H GLY A 15 -16.341 8.488 1.402 1.00 3.81 H new ATOM 0 HA2 GLY A 15 -18.383 10.103 1.988 1.00 3.32 H new ATOM 0 HA3 GLY A 15 -18.177 10.472 0.287 1.00 3.32 H new ATOM 225 N ILE A 16 -18.147 7.443 0.162 1.00 2.53 N ATOM 226 CA ILE A 16 -18.823 6.211 -0.229 1.00 2.22 C ATOM 227 C ILE A 16 -18.202 4.995 0.454 1.00 1.91 C ATOM 228 O ILE A 16 -17.483 5.123 1.444 1.00 1.88 O ATOM 229 CB ILE A 16 -18.797 6.018 -1.767 1.00 2.22 C ATOM 230 CG1 ILE A 16 -17.418 5.540 -2.256 1.00 2.32 C ATOM 231 CG2 ILE A 16 -19.188 7.313 -2.464 1.00 2.54 C ATOM 232 CD1 ILE A 16 -16.356 6.608 -2.211 1.00 2.22 C ATOM 0 H ILE A 16 -17.139 7.441 0.006 1.00 2.53 H new ATOM 0 HA ILE A 16 -19.860 6.300 0.094 1.00 2.22 H new ATOM 0 HB ILE A 16 -19.522 5.244 -2.019 1.00 2.22 H new ATOM 0 HG12 ILE A 16 -17.098 4.696 -1.645 1.00 2.32 H new ATOM 0 HG13 ILE A 16 -17.511 5.176 -3.279 1.00 2.32 H new ATOM 0 HG21 ILE A 16 -19.166 7.166 -3.544 1.00 2.54 H new ATOM 0 HG22 ILE A 16 -20.193 7.602 -2.157 1.00 2.54 H new ATOM 0 HG23 ILE A 16 -18.485 8.100 -2.191 1.00 2.54 H new ATOM 0 HD11 ILE A 16 -15.412 6.198 -2.570 1.00 2.22 H new ATOM 0 HD12 ILE A 16 -16.653 7.443 -2.845 1.00 2.22 H new ATOM 0 HD13 ILE A 16 -16.233 6.956 -1.185 1.00 2.22 H new ATOM 244 N ARG A 17 -18.473 3.817 -0.101 1.00 1.82 N ATOM 245 CA ARG A 17 -17.930 2.578 0.427 1.00 1.64 C ATOM 246 C ARG A 17 -16.413 2.558 0.276 1.00 1.22 C ATOM 247 O ARG A 17 -15.859 3.204 -0.613 1.00 1.14 O ATOM 248 CB ARG A 17 -18.544 1.377 -0.294 1.00 1.77 C ATOM 249 CG ARG A 17 -19.777 0.815 0.395 1.00 2.27 C ATOM 250 CD ARG A 17 -20.827 0.376 -0.613 1.00 2.75 C ATOM 251 NE ARG A 17 -20.560 -0.962 -1.135 1.00 3.16 N ATOM 252 CZ ARG A 17 -21.188 -1.483 -2.184 1.00 3.76 C ATOM 253 NH1 ARG A 17 -22.123 -0.785 -2.814 1.00 4.04 N ATOM 254 NH2 ARG A 17 -20.883 -2.703 -2.604 1.00 4.40 N ATOM 0 H ARG A 17 -19.069 3.699 -0.920 1.00 1.82 H new ATOM 0 HA ARG A 17 -18.179 2.516 1.486 1.00 1.64 H new ATOM 0 HB2 ARG A 17 -18.809 1.671 -1.310 1.00 1.77 H new ATOM 0 HB3 ARG A 17 -17.794 0.591 -0.375 1.00 1.77 H new ATOM 0 HG2 ARG A 17 -19.492 -0.033 1.018 1.00 2.27 H new ATOM 0 HG3 ARG A 17 -20.200 1.570 1.058 1.00 2.27 H new ATOM 0 HD2 ARG A 17 -21.810 0.392 -0.142 1.00 2.75 H new ATOM 0 HD3 ARG A 17 -20.857 1.088 -1.438 1.00 2.75 H new ATOM 0 HE ARG A 17 -19.852 -1.528 -0.668 1.00 3.16 H new ATOM 0 HH11 ARG A 17 -22.361 0.154 -2.494 1.00 4.04 H new ATOM 0 HH12 ARG A 17 -22.604 -1.187 -3.619 1.00 4.04 H new ATOM 0 HH21 ARG A 17 -20.165 -3.244 -2.122 1.00 4.40 H new ATOM 0 HH22 ARG A 17 -21.366 -3.101 -3.409 1.00 4.40 H new ATOM 268 N GLU A 18 -15.748 1.817 1.150 1.00 1.16 N ATOM 269 CA GLU A 18 -14.295 1.716 1.119 1.00 0.91 C ATOM 270 C GLU A 18 -13.875 0.445 0.385 1.00 0.63 C ATOM 271 O GLU A 18 -14.728 -0.350 -0.007 1.00 0.66 O ATOM 272 CB GLU A 18 -13.749 1.749 2.543 1.00 1.29 C ATOM 273 CG GLU A 18 -13.937 3.100 3.212 1.00 1.64 C ATOM 274 CD GLU A 18 -14.532 2.985 4.603 1.00 1.83 C ATOM 275 OE1 GLU A 18 -14.377 1.915 5.227 1.00 2.11 O ATOM 276 OE2 GLU A 18 -15.152 3.966 5.066 1.00 2.17 O ATOM 0 H GLU A 18 -16.192 1.275 1.891 1.00 1.16 H new ATOM 0 HA GLU A 18 -13.878 2.565 0.577 1.00 0.91 H new ATOM 0 HB2 GLU A 18 -14.247 0.982 3.136 1.00 1.29 H new ATOM 0 HB3 GLU A 18 -12.688 1.501 2.527 1.00 1.29 H new ATOM 0 HG2 GLU A 18 -12.974 3.608 3.274 1.00 1.64 H new ATOM 0 HG3 GLU A 18 -14.586 3.720 2.594 1.00 1.64 H new ATOM 283 N VAL A 19 -12.573 0.261 0.155 1.00 0.63 N ATOM 284 CA VAL A 19 -12.125 -0.921 -0.589 1.00 0.57 C ATOM 285 C VAL A 19 -11.262 -1.865 0.242 1.00 0.41 C ATOM 286 O VAL A 19 -10.510 -1.442 1.120 1.00 0.47 O ATOM 287 CB VAL A 19 -11.368 -0.533 -1.872 1.00 0.93 C ATOM 288 CG1 VAL A 19 -10.029 0.091 -1.537 1.00 1.51 C ATOM 289 CG2 VAL A 19 -11.188 -1.745 -2.774 1.00 1.16 C ATOM 0 H VAL A 19 -11.831 0.891 0.461 1.00 0.63 H new ATOM 0 HA VAL A 19 -13.038 -1.454 -0.854 1.00 0.57 H new ATOM 0 HB VAL A 19 -11.961 0.207 -2.409 1.00 0.93 H new ATOM 0 HG11 VAL A 19 -9.511 0.357 -2.458 1.00 1.51 H new ATOM 0 HG12 VAL A 19 -10.185 0.987 -0.936 1.00 1.51 H new ATOM 0 HG13 VAL A 19 -9.426 -0.622 -0.975 1.00 1.51 H new ATOM 0 HG21 VAL A 19 -10.651 -1.451 -3.676 1.00 1.16 H new ATOM 0 HG22 VAL A 19 -10.619 -2.510 -2.246 1.00 1.16 H new ATOM 0 HG23 VAL A 19 -12.165 -2.143 -3.047 1.00 1.16 H new ATOM 299 N THR A 20 -11.390 -3.156 -0.054 1.00 0.37 N ATOM 300 CA THR A 20 -10.648 -4.194 0.650 1.00 0.30 C ATOM 301 C THR A 20 -9.410 -4.599 -0.128 1.00 0.33 C ATOM 302 O THR A 20 -9.338 -4.417 -1.344 1.00 0.65 O ATOM 303 CB THR A 20 -11.513 -5.456 0.853 1.00 0.43 C ATOM 304 OG1 THR A 20 -12.903 -5.113 0.843 1.00 0.69 O ATOM 305 CG2 THR A 20 -11.162 -6.161 2.157 1.00 0.54 C ATOM 0 H THR A 20 -12.008 -3.509 -0.785 1.00 0.37 H new ATOM 0 HA THR A 20 -10.364 -3.778 1.617 1.00 0.30 H new ATOM 0 HB THR A 20 -11.306 -6.139 0.029 1.00 0.43 H new ATOM 0 HG1 THR A 20 -13.441 -5.922 0.971 1.00 0.69 H new ATOM 0 HG21 THR A 20 -11.788 -7.046 2.272 1.00 0.54 H new ATOM 0 HG22 THR A 20 -10.113 -6.458 2.139 1.00 0.54 H new ATOM 0 HG23 THR A 20 -11.333 -5.484 2.994 1.00 0.54 H new ATOM 313 N VAL A 21 -8.440 -5.161 0.577 1.00 0.28 N ATOM 314 CA VAL A 21 -7.207 -5.605 -0.056 1.00 0.25 C ATOM 315 C VAL A 21 -7.416 -6.950 -0.743 1.00 0.29 C ATOM 316 O VAL A 21 -7.913 -7.898 -0.135 1.00 0.33 O ATOM 317 CB VAL A 21 -6.060 -5.723 0.965 1.00 0.29 C ATOM 318 CG1 VAL A 21 -4.747 -6.028 0.261 1.00 1.39 C ATOM 319 CG2 VAL A 21 -5.951 -4.447 1.788 1.00 1.21 C ATOM 0 H VAL A 21 -8.482 -5.320 1.584 1.00 0.28 H new ATOM 0 HA VAL A 21 -6.932 -4.855 -0.798 1.00 0.25 H new ATOM 0 HB VAL A 21 -6.280 -6.549 1.642 1.00 0.29 H new ATOM 0 HG11 VAL A 21 -3.949 -6.108 0.999 1.00 1.39 H new ATOM 0 HG12 VAL A 21 -4.835 -6.969 -0.281 1.00 1.39 H new ATOM 0 HG13 VAL A 21 -4.515 -5.226 -0.440 1.00 1.39 H new ATOM 0 HG21 VAL A 21 -5.136 -4.545 2.505 1.00 1.21 H new ATOM 0 HG22 VAL A 21 -5.753 -3.603 1.127 1.00 1.21 H new ATOM 0 HG23 VAL A 21 -6.886 -4.278 2.322 1.00 1.21 H new ATOM 329 N LYS A 22 -7.052 -7.023 -2.019 1.00 0.36 N ATOM 330 CA LYS A 22 -7.217 -8.250 -2.789 1.00 0.46 C ATOM 331 C LYS A 22 -5.994 -9.153 -2.666 1.00 0.52 C ATOM 332 O LYS A 22 -6.119 -10.377 -2.635 1.00 0.66 O ATOM 333 CB LYS A 22 -7.476 -7.923 -4.262 1.00 0.52 C ATOM 334 CG LYS A 22 -8.603 -8.737 -4.878 1.00 0.78 C ATOM 335 CD LYS A 22 -8.073 -9.758 -5.873 1.00 1.48 C ATOM 336 CE LYS A 22 -9.199 -10.578 -6.486 1.00 2.16 C ATOM 337 NZ LYS A 22 -9.736 -9.950 -7.726 1.00 2.95 N ATOM 0 H LYS A 22 -6.642 -6.249 -2.541 1.00 0.36 H new ATOM 0 HA LYS A 22 -8.076 -8.783 -2.382 1.00 0.46 H new ATOM 0 HB2 LYS A 22 -7.713 -6.863 -4.354 1.00 0.52 H new ATOM 0 HB3 LYS A 22 -6.562 -8.096 -4.830 1.00 0.52 H new ATOM 0 HG2 LYS A 22 -9.157 -9.248 -4.090 1.00 0.78 H new ATOM 0 HG3 LYS A 22 -9.304 -8.069 -5.379 1.00 0.78 H new ATOM 0 HD2 LYS A 22 -7.523 -9.246 -6.663 1.00 1.48 H new ATOM 0 HD3 LYS A 22 -7.368 -10.423 -5.373 1.00 1.48 H new ATOM 0 HE2 LYS A 22 -8.835 -11.579 -6.715 1.00 2.16 H new ATOM 0 HE3 LYS A 22 -10.003 -10.690 -5.759 1.00 2.16 H new ATOM 0 HZ1 LYS A 22 -10.775 -9.942 -7.689 1.00 2.95 H new ATOM 0 HZ2 LYS A 22 -9.385 -8.974 -7.801 1.00 2.95 H new ATOM 0 HZ3 LYS A 22 -9.423 -10.495 -8.555 1.00 2.95 H new ATOM 351 N GLU A 23 -4.812 -8.548 -2.604 1.00 0.46 N ATOM 352 CA GLU A 23 -3.578 -9.315 -2.492 1.00 0.56 C ATOM 353 C GLU A 23 -2.591 -8.656 -1.533 1.00 0.42 C ATOM 354 O GLU A 23 -2.356 -7.449 -1.594 1.00 0.42 O ATOM 355 CB GLU A 23 -2.933 -9.482 -3.869 1.00 0.73 C ATOM 356 CG GLU A 23 -3.630 -10.511 -4.744 1.00 1.09 C ATOM 357 CD GLU A 23 -3.112 -11.917 -4.516 1.00 1.33 C ATOM 358 OE1 GLU A 23 -2.036 -12.062 -3.899 1.00 1.63 O ATOM 359 OE2 GLU A 23 -3.783 -12.874 -4.956 1.00 2.13 O ATOM 0 H GLU A 23 -4.683 -7.536 -2.629 1.00 0.46 H new ATOM 0 HA GLU A 23 -3.834 -10.295 -2.090 1.00 0.56 H new ATOM 0 HB2 GLU A 23 -2.935 -8.520 -4.381 1.00 0.73 H new ATOM 0 HB3 GLU A 23 -1.890 -9.773 -3.740 1.00 0.73 H new ATOM 0 HG2 GLU A 23 -4.701 -10.486 -4.545 1.00 1.09 H new ATOM 0 HG3 GLU A 23 -3.494 -10.243 -5.792 1.00 1.09 H new ATOM 366 N TRP A 24 -2.010 -9.467 -0.656 1.00 0.35 N ATOM 367 CA TRP A 24 -1.035 -8.990 0.318 1.00 0.26 C ATOM 368 C TRP A 24 0.231 -9.835 0.241 1.00 0.24 C ATOM 369 O TRP A 24 0.194 -11.039 0.491 1.00 0.33 O ATOM 370 CB TRP A 24 -1.619 -9.055 1.730 1.00 0.37 C ATOM 371 CG TRP A 24 -2.232 -7.768 2.183 1.00 0.43 C ATOM 372 CD1 TRP A 24 -3.535 -7.565 2.523 1.00 0.75 C ATOM 373 CD2 TRP A 24 -1.573 -6.507 2.346 1.00 0.36 C ATOM 374 NE1 TRP A 24 -3.729 -6.259 2.898 1.00 0.74 N ATOM 375 CE2 TRP A 24 -2.539 -5.588 2.796 1.00 0.47 C ATOM 376 CE3 TRP A 24 -0.260 -6.067 2.160 1.00 0.61 C ATOM 377 CZ2 TRP A 24 -2.234 -4.256 3.061 1.00 0.52 C ATOM 378 CZ3 TRP A 24 0.042 -4.743 2.423 1.00 0.83 C ATOM 379 CH2 TRP A 24 -0.942 -3.852 2.871 1.00 0.70 C ATOM 0 H TRP A 24 -2.200 -10.468 -0.600 1.00 0.35 H new ATOM 0 HA TRP A 24 -0.789 -7.953 0.088 1.00 0.26 H new ATOM 0 HB2 TRP A 24 -2.374 -9.840 1.766 1.00 0.37 H new ATOM 0 HB3 TRP A 24 -0.831 -9.338 2.428 1.00 0.37 H new ATOM 0 HD1 TRP A 24 -4.305 -8.322 2.501 1.00 0.75 H new ATOM 0 HE1 TRP A 24 -4.614 -5.854 3.203 1.00 0.74 H new ATOM 0 HE3 TRP A 24 0.505 -6.748 1.817 1.00 0.61 H new ATOM 0 HZ2 TRP A 24 -2.991 -3.566 3.404 1.00 0.52 H new ATOM 0 HZ3 TRP A 24 1.053 -4.390 2.281 1.00 0.83 H new ATOM 0 HH2 TRP A 24 -0.674 -2.825 3.070 1.00 0.70 H new ATOM 390 N TYR A 25 1.346 -9.210 -0.121 1.00 0.20 N ATOM 391 CA TYR A 25 2.606 -9.936 -0.242 1.00 0.31 C ATOM 392 C TYR A 25 3.692 -9.326 0.636 1.00 0.27 C ATOM 393 O TYR A 25 4.853 -9.250 0.234 1.00 0.36 O ATOM 394 CB TYR A 25 3.065 -9.949 -1.701 1.00 0.42 C ATOM 395 CG TYR A 25 2.396 -11.016 -2.537 1.00 0.70 C ATOM 396 CD1 TYR A 25 2.509 -12.360 -2.203 1.00 1.07 C ATOM 397 CD2 TYR A 25 1.653 -10.679 -3.662 1.00 1.16 C ATOM 398 CE1 TYR A 25 1.900 -13.338 -2.967 1.00 1.34 C ATOM 399 CE2 TYR A 25 1.041 -11.652 -4.430 1.00 1.44 C ATOM 400 CZ TYR A 25 1.168 -12.979 -4.078 1.00 1.36 C ATOM 401 OH TYR A 25 0.560 -13.950 -4.840 1.00 1.72 O ATOM 0 H TYR A 25 1.404 -8.214 -0.334 1.00 0.20 H new ATOM 0 HA TYR A 25 2.435 -10.958 0.097 1.00 0.31 H new ATOM 0 HB2 TYR A 25 2.865 -8.974 -2.145 1.00 0.42 H new ATOM 0 HB3 TYR A 25 4.144 -10.098 -1.732 1.00 0.42 H new ATOM 0 HD1 TYR A 25 3.082 -12.645 -1.333 1.00 1.07 H new ATOM 0 HD2 TYR A 25 1.552 -9.640 -3.941 1.00 1.16 H new ATOM 0 HE1 TYR A 25 1.997 -14.378 -2.694 1.00 1.34 H new ATOM 0 HE2 TYR A 25 0.466 -11.374 -5.301 1.00 1.44 H new ATOM 0 HH TYR A 25 0.083 -13.530 -5.586 1.00 1.72 H new ATOM 411 N VAL A 26 3.313 -8.894 1.833 1.00 0.22 N ATOM 412 CA VAL A 26 4.265 -8.292 2.758 1.00 0.22 C ATOM 413 C VAL A 26 3.772 -8.386 4.201 1.00 0.22 C ATOM 414 O VAL A 26 2.609 -8.703 4.450 1.00 0.31 O ATOM 415 CB VAL A 26 4.531 -6.814 2.403 1.00 0.28 C ATOM 416 CG1 VAL A 26 4.963 -6.681 0.954 1.00 0.50 C ATOM 417 CG2 VAL A 26 3.299 -5.960 2.675 1.00 0.40 C ATOM 0 H VAL A 26 2.357 -8.949 2.185 1.00 0.22 H new ATOM 0 HA VAL A 26 5.196 -8.852 2.666 1.00 0.22 H new ATOM 0 HB VAL A 26 5.341 -6.454 3.038 1.00 0.28 H new ATOM 0 HG11 VAL A 26 5.146 -5.631 0.724 1.00 0.50 H new ATOM 0 HG12 VAL A 26 5.877 -7.252 0.793 1.00 0.50 H new ATOM 0 HG13 VAL A 26 4.177 -7.064 0.303 1.00 0.50 H new ATOM 0 HG21 VAL A 26 3.511 -4.922 2.417 1.00 0.40 H new ATOM 0 HG22 VAL A 26 2.466 -6.321 2.072 1.00 0.40 H new ATOM 0 HG23 VAL A 26 3.037 -6.025 3.731 1.00 0.40 H new ATOM 427 N LYS A 27 4.664 -8.104 5.147 1.00 0.24 N ATOM 428 CA LYS A 27 4.318 -8.154 6.564 1.00 0.26 C ATOM 429 C LYS A 27 5.101 -7.107 7.354 1.00 0.29 C ATOM 430 O LYS A 27 6.146 -6.633 6.908 1.00 0.42 O ATOM 431 CB LYS A 27 4.589 -9.549 7.132 1.00 0.38 C ATOM 432 CG LYS A 27 3.381 -10.472 7.080 1.00 0.61 C ATOM 433 CD LYS A 27 2.488 -10.295 8.299 1.00 0.99 C ATOM 434 CE LYS A 27 1.159 -11.011 8.123 1.00 1.52 C ATOM 435 NZ LYS A 27 0.394 -11.088 9.398 1.00 1.89 N ATOM 0 H LYS A 27 5.631 -7.839 4.958 1.00 0.24 H new ATOM 0 HA LYS A 27 3.255 -7.934 6.659 1.00 0.26 H new ATOM 0 HB2 LYS A 27 5.409 -10.005 6.577 1.00 0.38 H new ATOM 0 HB3 LYS A 27 4.919 -9.453 8.167 1.00 0.38 H new ATOM 0 HG2 LYS A 27 2.807 -10.270 6.176 1.00 0.61 H new ATOM 0 HG3 LYS A 27 3.716 -11.508 7.021 1.00 0.61 H new ATOM 0 HD2 LYS A 27 2.996 -10.680 9.183 1.00 0.99 H new ATOM 0 HD3 LYS A 27 2.311 -9.233 8.471 1.00 0.99 H new ATOM 0 HE2 LYS A 27 0.563 -10.490 7.374 1.00 1.52 H new ATOM 0 HE3 LYS A 27 1.337 -12.018 7.745 1.00 1.52 H new ATOM 0 HZ1 LYS A 27 -0.505 -11.584 9.234 1.00 1.89 H new ATOM 0 HZ2 LYS A 27 0.951 -11.607 10.106 1.00 1.89 H new ATOM 0 HZ3 LYS A 27 0.201 -10.127 9.746 1.00 1.89 H new ATOM 449 N GLU A 28 4.588 -6.750 8.529 1.00 0.30 N ATOM 450 CA GLU A 28 5.242 -5.757 9.381 1.00 0.34 C ATOM 451 C GLU A 28 6.694 -6.144 9.642 1.00 0.38 C ATOM 452 O GLU A 28 6.990 -7.299 9.949 1.00 0.42 O ATOM 453 CB GLU A 28 4.496 -5.617 10.711 1.00 0.42 C ATOM 454 CG GLU A 28 2.983 -5.666 10.575 1.00 0.35 C ATOM 455 CD GLU A 28 2.401 -6.998 11.008 1.00 1.10 C ATOM 456 OE1 GLU A 28 3.183 -7.886 11.409 1.00 2.03 O ATOM 457 OE2 GLU A 28 1.163 -7.152 10.947 1.00 1.23 O ATOM 0 H GLU A 28 3.724 -7.132 8.913 1.00 0.30 H new ATOM 0 HA GLU A 28 5.222 -4.799 8.861 1.00 0.34 H new ATOM 0 HB2 GLU A 28 4.817 -6.414 11.382 1.00 0.42 H new ATOM 0 HB3 GLU A 28 4.779 -4.674 11.178 1.00 0.42 H new ATOM 0 HG2 GLU A 28 2.542 -4.869 11.174 1.00 0.35 H new ATOM 0 HG3 GLU A 28 2.709 -5.474 9.538 1.00 0.35 H new ATOM 464 N GLY A 29 7.601 -5.178 9.505 1.00 0.39 N ATOM 465 CA GLY A 29 9.008 -5.462 9.718 1.00 0.45 C ATOM 466 C GLY A 29 9.611 -6.274 8.585 1.00 0.40 C ATOM 467 O GLY A 29 10.771 -6.680 8.654 1.00 0.44 O ATOM 0 H GLY A 29 7.388 -4.213 9.253 1.00 0.39 H new ATOM 0 HA2 GLY A 29 9.554 -4.524 9.820 1.00 0.45 H new ATOM 0 HA3 GLY A 29 9.129 -6.005 10.655 1.00 0.45 H new ATOM 471 N ASP A 30 8.813 -6.533 7.550 1.00 0.34 N ATOM 472 CA ASP A 30 9.259 -7.325 6.411 1.00 0.31 C ATOM 473 C ASP A 30 9.763 -6.441 5.280 1.00 0.25 C ATOM 474 O ASP A 30 9.361 -5.285 5.151 1.00 0.24 O ATOM 475 CB ASP A 30 8.116 -8.205 5.905 1.00 0.31 C ATOM 476 CG ASP A 30 8.612 -9.473 5.238 1.00 0.91 C ATOM 477 OD1 ASP A 30 9.811 -9.533 4.895 1.00 1.36 O ATOM 478 OD2 ASP A 30 7.800 -10.405 5.059 1.00 1.27 O ATOM 0 H ASP A 30 7.850 -6.203 7.480 1.00 0.34 H new ATOM 0 HA ASP A 30 10.085 -7.953 6.746 1.00 0.31 H new ATOM 0 HB2 ASP A 30 7.467 -8.468 6.740 1.00 0.31 H new ATOM 0 HB3 ASP A 30 7.511 -7.638 5.197 1.00 0.31 H new ATOM 483 N THR A 31 10.641 -7.000 4.457 1.00 0.23 N ATOM 484 CA THR A 31 11.195 -6.270 3.329 1.00 0.18 C ATOM 485 C THR A 31 10.475 -6.636 2.039 1.00 0.18 C ATOM 486 O THR A 31 9.952 -7.741 1.895 1.00 0.30 O ATOM 487 CB THR A 31 12.699 -6.545 3.157 1.00 0.19 C ATOM 488 OG1 THR A 31 13.322 -6.697 4.438 1.00 0.31 O ATOM 489 CG2 THR A 31 13.364 -5.411 2.394 1.00 0.30 C ATOM 0 H THR A 31 10.983 -7.956 4.551 1.00 0.23 H new ATOM 0 HA THR A 31 11.053 -5.210 3.540 1.00 0.18 H new ATOM 0 HB THR A 31 12.817 -7.468 2.589 1.00 0.19 H new ATOM 0 HG1 THR A 31 14.278 -6.873 4.318 1.00 0.31 H new ATOM 0 HG21 THR A 31 14.427 -5.622 2.282 1.00 0.30 H new ATOM 0 HG22 THR A 31 12.907 -5.318 1.409 1.00 0.30 H new ATOM 0 HG23 THR A 31 13.236 -4.478 2.943 1.00 0.30 H new ATOM 497 N VAL A 32 10.448 -5.695 1.108 1.00 0.14 N ATOM 498 CA VAL A 32 9.791 -5.895 -0.176 1.00 0.14 C ATOM 499 C VAL A 32 10.809 -5.970 -1.304 1.00 0.14 C ATOM 500 O VAL A 32 11.972 -5.610 -1.128 1.00 0.18 O ATOM 501 CB VAL A 32 8.777 -4.768 -0.498 1.00 0.20 C ATOM 502 CG1 VAL A 32 7.359 -5.277 -0.339 1.00 0.28 C ATOM 503 CG2 VAL A 32 9.001 -3.530 0.368 1.00 0.18 C ATOM 0 H VAL A 32 10.878 -4.777 1.219 1.00 0.14 H new ATOM 0 HA VAL A 32 9.251 -6.839 -0.098 1.00 0.14 H new ATOM 0 HB VAL A 32 8.936 -4.470 -1.534 1.00 0.20 H new ATOM 0 HG11 VAL A 32 6.657 -4.475 -0.568 1.00 0.28 H new ATOM 0 HG12 VAL A 32 7.193 -6.111 -1.021 1.00 0.28 H new ATOM 0 HG13 VAL A 32 7.205 -5.612 0.687 1.00 0.28 H new ATOM 0 HG21 VAL A 32 8.268 -2.766 0.108 1.00 0.18 H new ATOM 0 HG22 VAL A 32 8.890 -3.796 1.419 1.00 0.18 H new ATOM 0 HG23 VAL A 32 10.005 -3.142 0.196 1.00 0.18 H new ATOM 513 N SER A 33 10.354 -6.434 -2.463 1.00 0.23 N ATOM 514 CA SER A 33 11.210 -6.554 -3.635 1.00 0.31 C ATOM 515 C SER A 33 10.520 -5.955 -4.856 1.00 0.33 C ATOM 516 O SER A 33 9.311 -5.732 -4.844 1.00 0.35 O ATOM 517 CB SER A 33 11.553 -8.022 -3.896 1.00 0.38 C ATOM 518 OG SER A 33 12.878 -8.316 -3.488 1.00 1.42 O ATOM 0 H SER A 33 9.391 -6.734 -2.615 1.00 0.23 H new ATOM 0 HA SER A 33 12.133 -6.006 -3.447 1.00 0.31 H new ATOM 0 HB2 SER A 33 10.853 -8.663 -3.360 1.00 0.38 H new ATOM 0 HB3 SER A 33 11.438 -8.242 -4.957 1.00 0.38 H new ATOM 0 HG SER A 33 13.468 -7.572 -3.731 1.00 1.42 H new ATOM 524 N GLN A 34 11.290 -5.692 -5.904 1.00 0.37 N ATOM 525 CA GLN A 34 10.742 -5.111 -7.125 1.00 0.41 C ATOM 526 C GLN A 34 9.600 -5.959 -7.681 1.00 0.43 C ATOM 527 O GLN A 34 8.685 -5.441 -8.321 1.00 0.52 O ATOM 528 CB GLN A 34 11.841 -4.956 -8.179 1.00 0.44 C ATOM 529 CG GLN A 34 12.263 -6.269 -8.819 1.00 0.76 C ATOM 530 CD GLN A 34 13.659 -6.207 -9.408 1.00 1.54 C ATOM 531 OE1 GLN A 34 13.829 -6.098 -10.623 1.00 2.38 O ATOM 532 NE2 GLN A 34 14.668 -6.277 -8.548 1.00 1.72 N ATOM 0 H GLN A 34 12.294 -5.871 -5.934 1.00 0.37 H new ATOM 0 HA GLN A 34 10.343 -4.128 -6.876 1.00 0.41 H new ATOM 0 HB2 GLN A 34 11.492 -4.278 -8.958 1.00 0.44 H new ATOM 0 HB3 GLN A 34 12.712 -4.490 -7.717 1.00 0.44 H new ATOM 0 HG2 GLN A 34 12.222 -7.063 -8.073 1.00 0.76 H new ATOM 0 HG3 GLN A 34 11.553 -6.532 -9.603 1.00 0.76 H new ATOM 0 HE21 GLN A 34 14.482 -6.367 -7.549 1.00 1.72 H new ATOM 0 HE22 GLN A 34 15.630 -6.241 -8.886 1.00 1.72 H new ATOM 541 N PHE A 35 9.661 -7.265 -7.440 1.00 0.43 N ATOM 542 CA PHE A 35 8.632 -8.177 -7.928 1.00 0.48 C ATOM 543 C PHE A 35 7.611 -8.504 -6.839 1.00 0.43 C ATOM 544 O PHE A 35 6.509 -8.968 -7.133 1.00 0.47 O ATOM 545 CB PHE A 35 9.271 -9.466 -8.448 1.00 0.58 C ATOM 546 CG PHE A 35 9.320 -9.550 -9.948 1.00 0.99 C ATOM 547 CD1 PHE A 35 8.226 -9.177 -10.714 1.00 1.86 C ATOM 548 CD2 PHE A 35 10.460 -10.004 -10.591 1.00 1.12 C ATOM 549 CE1 PHE A 35 8.270 -9.255 -12.093 1.00 2.52 C ATOM 550 CE2 PHE A 35 10.510 -10.083 -11.970 1.00 1.64 C ATOM 551 CZ PHE A 35 9.413 -9.709 -12.722 1.00 2.31 C ATOM 0 H PHE A 35 10.409 -7.714 -6.912 1.00 0.43 H new ATOM 0 HA PHE A 35 8.107 -7.679 -8.744 1.00 0.48 H new ATOM 0 HB2 PHE A 35 10.285 -9.544 -8.055 1.00 0.58 H new ATOM 0 HB3 PHE A 35 8.713 -10.319 -8.063 1.00 0.58 H new ATOM 0 HD1 PHE A 35 7.330 -8.822 -10.228 1.00 1.86 H new ATOM 0 HD2 PHE A 35 11.320 -10.300 -10.008 1.00 1.12 H new ATOM 0 HE1 PHE A 35 7.411 -8.961 -12.679 1.00 2.52 H new ATOM 0 HE2 PHE A 35 11.406 -10.437 -12.459 1.00 1.64 H new ATOM 0 HZ PHE A 35 9.449 -9.771 -13.800 1.00 2.31 H new ATOM 561 N ASP A 36 7.978 -8.264 -5.583 1.00 0.36 N ATOM 562 CA ASP A 36 7.083 -8.541 -4.464 1.00 0.34 C ATOM 563 C ASP A 36 6.277 -7.301 -4.086 1.00 0.25 C ATOM 564 O ASP A 36 6.712 -6.489 -3.269 1.00 0.21 O ATOM 565 CB ASP A 36 7.880 -9.035 -3.255 1.00 0.41 C ATOM 566 CG ASP A 36 7.760 -10.534 -3.059 1.00 0.76 C ATOM 567 OD1 ASP A 36 6.636 -11.010 -2.793 1.00 0.84 O ATOM 568 OD2 ASP A 36 8.790 -11.232 -3.171 1.00 1.69 O ATOM 0 H ASP A 36 8.884 -7.880 -5.316 1.00 0.36 H new ATOM 0 HA ASP A 36 6.387 -9.320 -4.775 1.00 0.34 H new ATOM 0 HB2 ASP A 36 8.930 -8.771 -3.382 1.00 0.41 H new ATOM 0 HB3 ASP A 36 7.529 -8.524 -2.358 1.00 0.41 H new ATOM 573 N SER A 37 5.097 -7.164 -4.685 1.00 0.26 N ATOM 574 CA SER A 37 4.226 -6.026 -4.413 1.00 0.21 C ATOM 575 C SER A 37 3.859 -5.963 -2.934 1.00 0.23 C ATOM 576 O SER A 37 3.954 -6.958 -2.216 1.00 0.28 O ATOM 577 CB SER A 37 2.957 -6.112 -5.264 1.00 0.25 C ATOM 578 OG SER A 37 2.507 -7.452 -5.376 1.00 0.94 O ATOM 0 H SER A 37 4.722 -7.828 -5.363 1.00 0.26 H new ATOM 0 HA SER A 37 4.767 -5.116 -4.673 1.00 0.21 H new ATOM 0 HB2 SER A 37 2.174 -5.498 -4.818 1.00 0.25 H new ATOM 0 HB3 SER A 37 3.153 -5.707 -6.257 1.00 0.25 H new ATOM 0 HG SER A 37 1.607 -7.463 -5.763 1.00 0.94 H new ATOM 584 N ILE A 38 3.441 -4.784 -2.484 1.00 0.22 N ATOM 585 CA ILE A 38 3.061 -4.589 -1.090 1.00 0.27 C ATOM 586 C ILE A 38 1.571 -4.841 -0.882 1.00 0.27 C ATOM 587 O ILE A 38 1.177 -5.881 -0.343 1.00 0.27 O ATOM 588 CB ILE A 38 3.421 -3.169 -0.605 1.00 0.32 C ATOM 589 CG1 ILE A 38 4.913 -2.909 -0.842 1.00 0.36 C ATOM 590 CG2 ILE A 38 3.064 -3.001 0.869 1.00 0.34 C ATOM 591 CD1 ILE A 38 5.448 -1.673 -0.151 1.00 0.47 C ATOM 0 H ILE A 38 3.357 -3.950 -3.065 1.00 0.22 H new ATOM 0 HA ILE A 38 3.624 -5.313 -0.501 1.00 0.27 H new ATOM 0 HB ILE A 38 2.844 -2.439 -1.172 1.00 0.32 H new ATOM 0 HG12 ILE A 38 5.479 -3.776 -0.501 1.00 0.36 H new ATOM 0 HG13 ILE A 38 5.088 -2.816 -1.914 1.00 0.36 H new ATOM 0 HG21 ILE A 38 3.325 -1.994 1.194 1.00 0.34 H new ATOM 0 HG22 ILE A 38 1.994 -3.161 1.005 1.00 0.34 H new ATOM 0 HG23 ILE A 38 3.618 -3.728 1.463 1.00 0.34 H new ATOM 0 HD11 ILE A 38 6.510 -1.564 -0.371 1.00 0.47 H new ATOM 0 HD12 ILE A 38 4.911 -0.795 -0.509 1.00 0.47 H new ATOM 0 HD13 ILE A 38 5.309 -1.769 0.926 1.00 0.47 H new ATOM 603 N CYS A 39 0.747 -3.888 -1.313 1.00 0.32 N ATOM 604 CA CYS A 39 -0.699 -4.002 -1.172 1.00 0.34 C ATOM 605 C CYS A 39 -1.399 -3.887 -2.522 1.00 0.40 C ATOM 606 O CYS A 39 -0.997 -3.101 -3.379 1.00 0.55 O ATOM 607 CB CYS A 39 -1.222 -2.914 -0.232 1.00 0.40 C ATOM 608 SG CYS A 39 -2.947 -3.131 0.262 1.00 1.29 S ATOM 0 H CYS A 39 1.059 -3.028 -1.763 1.00 0.32 H new ATOM 0 HA CYS A 39 -0.917 -4.985 -0.754 1.00 0.34 H new ATOM 0 HB2 CYS A 39 -0.599 -2.892 0.662 1.00 0.40 H new ATOM 0 HB3 CYS A 39 -1.114 -1.945 -0.720 1.00 0.40 H new ATOM 0 HG CYS A 39 -2.996 -3.718 1.421 1.00 1.29 H new ATOM 614 N GLU A 40 -2.458 -4.668 -2.699 1.00 0.36 N ATOM 615 CA GLU A 40 -3.228 -4.647 -3.936 1.00 0.44 C ATOM 616 C GLU A 40 -4.720 -4.677 -3.627 1.00 0.48 C ATOM 617 O GLU A 40 -5.197 -5.567 -2.923 1.00 0.50 O ATOM 618 CB GLU A 40 -2.853 -5.836 -4.826 1.00 0.57 C ATOM 619 CG GLU A 40 -1.402 -6.273 -4.687 1.00 1.15 C ATOM 620 CD GLU A 40 -0.938 -7.134 -5.846 1.00 1.65 C ATOM 621 OE1 GLU A 40 -1.607 -8.148 -6.137 1.00 1.74 O ATOM 622 OE2 GLU A 40 0.094 -6.794 -6.461 1.00 2.37 O ATOM 0 H GLU A 40 -2.803 -5.325 -2.000 1.00 0.36 H new ATOM 0 HA GLU A 40 -2.994 -3.726 -4.471 1.00 0.44 H new ATOM 0 HB2 GLU A 40 -3.501 -6.678 -4.584 1.00 0.57 H new ATOM 0 HB3 GLU A 40 -3.046 -5.574 -5.866 1.00 0.57 H new ATOM 0 HG2 GLU A 40 -0.766 -5.391 -4.617 1.00 1.15 H new ATOM 0 HG3 GLU A 40 -1.281 -6.827 -3.756 1.00 1.15 H new ATOM 629 N VAL A 41 -5.451 -3.697 -4.147 1.00 0.55 N ATOM 630 CA VAL A 41 -6.887 -3.616 -3.912 1.00 0.64 C ATOM 631 C VAL A 41 -7.666 -3.584 -5.222 1.00 0.92 C ATOM 632 O VAL A 41 -7.230 -2.981 -6.203 1.00 1.08 O ATOM 633 CB VAL A 41 -7.251 -2.372 -3.076 1.00 0.65 C ATOM 634 CG1 VAL A 41 -6.477 -2.363 -1.767 1.00 1.35 C ATOM 635 CG2 VAL A 41 -6.993 -1.096 -3.865 1.00 1.32 C ATOM 0 H VAL A 41 -5.074 -2.951 -4.732 1.00 0.55 H new ATOM 0 HA VAL A 41 -7.164 -4.512 -3.356 1.00 0.64 H new ATOM 0 HB VAL A 41 -8.315 -2.416 -2.844 1.00 0.65 H new ATOM 0 HG11 VAL A 41 -6.747 -1.478 -1.191 1.00 1.35 H new ATOM 0 HG12 VAL A 41 -6.721 -3.258 -1.194 1.00 1.35 H new ATOM 0 HG13 VAL A 41 -5.408 -2.347 -1.977 1.00 1.35 H new ATOM 0 HG21 VAL A 41 -7.257 -0.232 -3.256 1.00 1.32 H new ATOM 0 HG22 VAL A 41 -5.938 -1.042 -4.134 1.00 1.32 H new ATOM 0 HG23 VAL A 41 -7.599 -1.100 -4.771 1.00 1.32 H new ATOM 645 N GLN A 42 -8.824 -4.234 -5.225 1.00 1.03 N ATOM 646 CA GLN A 42 -9.674 -4.280 -6.408 1.00 1.34 C ATOM 647 C GLN A 42 -11.093 -3.838 -6.067 1.00 1.39 C ATOM 648 O GLN A 42 -11.765 -4.459 -5.243 1.00 1.38 O ATOM 649 CB GLN A 42 -9.693 -5.694 -6.993 1.00 1.58 C ATOM 650 CG GLN A 42 -8.341 -6.157 -7.511 1.00 1.80 C ATOM 651 CD GLN A 42 -8.452 -6.942 -8.804 1.00 2.17 C ATOM 652 OE1 GLN A 42 -9.343 -7.776 -8.963 1.00 2.33 O ATOM 653 NE2 GLN A 42 -7.544 -6.677 -9.737 1.00 2.60 N ATOM 0 H GLN A 42 -9.196 -4.737 -4.420 1.00 1.03 H new ATOM 0 HA GLN A 42 -9.265 -3.595 -7.151 1.00 1.34 H new ATOM 0 HB2 GLN A 42 -10.037 -6.390 -6.228 1.00 1.58 H new ATOM 0 HB3 GLN A 42 -10.417 -5.732 -7.807 1.00 1.58 H new ATOM 0 HG2 GLN A 42 -7.700 -5.290 -7.670 1.00 1.80 H new ATOM 0 HG3 GLN A 42 -7.858 -6.776 -6.755 1.00 1.80 H new ATOM 0 HE21 GLN A 42 -6.823 -5.977 -9.562 1.00 2.60 H new ATOM 0 HE22 GLN A 42 -7.568 -7.173 -10.628 1.00 2.60 H new ATOM 662 N SER A 43 -11.543 -2.762 -6.702 1.00 1.55 N ATOM 663 CA SER A 43 -12.882 -2.238 -6.460 1.00 1.64 C ATOM 664 C SER A 43 -13.697 -2.210 -7.748 1.00 2.05 C ATOM 665 O SER A 43 -13.146 -2.079 -8.841 1.00 2.29 O ATOM 666 CB SER A 43 -12.800 -0.832 -5.863 1.00 1.43 C ATOM 667 OG SER A 43 -13.674 -0.697 -4.756 1.00 1.73 O ATOM 0 H SER A 43 -11.001 -2.236 -7.388 1.00 1.55 H new ATOM 0 HA SER A 43 -13.382 -2.898 -5.751 1.00 1.64 H new ATOM 0 HB2 SER A 43 -11.777 -0.626 -5.550 1.00 1.43 H new ATOM 0 HB3 SER A 43 -13.055 -0.095 -6.624 1.00 1.43 H new ATOM 0 HG SER A 43 -13.602 0.210 -4.391 1.00 1.73 H new ATOM 673 N ASP A 44 -15.014 -2.333 -7.611 1.00 2.23 N ATOM 674 CA ASP A 44 -15.907 -2.322 -8.764 1.00 2.66 C ATOM 675 C ASP A 44 -15.617 -1.124 -9.662 1.00 2.80 C ATOM 676 O ASP A 44 -15.763 -1.199 -10.882 1.00 3.14 O ATOM 677 CB ASP A 44 -17.366 -2.290 -8.306 1.00 2.85 C ATOM 678 CG ASP A 44 -17.586 -1.348 -7.138 1.00 3.67 C ATOM 679 OD1 ASP A 44 -16.688 -0.525 -6.862 1.00 4.39 O ATOM 680 OD2 ASP A 44 -18.656 -1.435 -6.499 1.00 3.89 O ATOM 0 H ASP A 44 -15.486 -2.441 -6.713 1.00 2.23 H new ATOM 0 HA ASP A 44 -15.734 -3.234 -9.336 1.00 2.66 H new ATOM 0 HB2 ASP A 44 -17.999 -1.985 -9.139 1.00 2.85 H new ATOM 0 HB3 ASP A 44 -17.677 -3.295 -8.022 1.00 2.85 H new ATOM 685 N LYS A 45 -15.201 -0.020 -9.051 1.00 2.69 N ATOM 686 CA LYS A 45 -14.887 1.193 -9.795 1.00 2.92 C ATOM 687 C LYS A 45 -13.574 1.036 -10.554 1.00 3.03 C ATOM 688 O LYS A 45 -13.546 1.090 -11.783 1.00 3.65 O ATOM 689 CB LYS A 45 -14.801 2.392 -8.848 1.00 2.89 C ATOM 690 CG LYS A 45 -14.404 3.686 -9.540 1.00 2.98 C ATOM 691 CD LYS A 45 -13.399 4.474 -8.715 1.00 3.17 C ATOM 692 CE LYS A 45 -12.249 4.980 -9.572 1.00 3.22 C ATOM 693 NZ LYS A 45 -12.344 6.445 -9.822 1.00 3.62 N ATOM 0 H LYS A 45 -15.074 0.059 -8.042 1.00 2.69 H new ATOM 0 HA LYS A 45 -15.687 1.366 -10.515 1.00 2.92 H new ATOM 0 HB2 LYS A 45 -15.767 2.531 -8.362 1.00 2.89 H new ATOM 0 HB3 LYS A 45 -14.078 2.173 -8.062 1.00 2.89 H new ATOM 0 HG2 LYS A 45 -13.977 3.461 -10.517 1.00 2.98 H new ATOM 0 HG3 LYS A 45 -15.292 4.295 -9.712 1.00 2.98 H new ATOM 0 HD2 LYS A 45 -13.899 5.318 -8.240 1.00 3.17 H new ATOM 0 HD3 LYS A 45 -13.009 3.844 -7.916 1.00 3.17 H new ATOM 0 HE2 LYS A 45 -11.303 4.757 -9.078 1.00 3.22 H new ATOM 0 HE3 LYS A 45 -12.245 4.449 -10.524 1.00 3.22 H new ATOM 0 HZ1 LYS A 45 -11.542 6.750 -10.410 1.00 3.62 H new ATOM 0 HZ2 LYS A 45 -13.235 6.656 -10.316 1.00 3.62 H new ATOM 0 HZ3 LYS A 45 -12.322 6.954 -8.915 1.00 3.62 H new ATOM 707 N ALA A 46 -12.489 0.842 -9.812 1.00 2.58 N ATOM 708 CA ALA A 46 -11.172 0.677 -10.416 1.00 2.82 C ATOM 709 C ALA A 46 -10.286 -0.234 -9.572 1.00 2.68 C ATOM 710 O ALA A 46 -10.458 -0.334 -8.358 1.00 2.63 O ATOM 711 CB ALA A 46 -10.507 2.032 -10.603 1.00 2.83 C ATOM 0 H ALA A 46 -12.495 0.795 -8.793 1.00 2.58 H new ATOM 0 HA ALA A 46 -11.305 0.207 -11.391 1.00 2.82 H new ATOM 0 HB1 ALA A 46 -9.524 1.896 -11.055 1.00 2.83 H new ATOM 0 HB2 ALA A 46 -11.123 2.653 -11.254 1.00 2.83 H new ATOM 0 HB3 ALA A 46 -10.397 2.520 -9.635 1.00 2.83 H new ATOM 717 N SER A 47 -9.331 -0.888 -10.225 1.00 2.96 N ATOM 718 CA SER A 47 -8.406 -1.783 -9.539 1.00 2.92 C ATOM 719 C SER A 47 -6.988 -1.226 -9.602 1.00 2.26 C ATOM 720 O SER A 47 -6.514 -0.838 -10.670 1.00 2.31 O ATOM 721 CB SER A 47 -8.452 -3.178 -10.164 1.00 3.72 C ATOM 722 OG SER A 47 -9.597 -3.893 -9.731 1.00 4.52 O ATOM 0 H SER A 47 -9.177 -0.815 -11.231 1.00 2.96 H new ATOM 0 HA SER A 47 -8.708 -1.859 -8.494 1.00 2.92 H new ATOM 0 HB2 SER A 47 -8.462 -3.093 -11.251 1.00 3.72 H new ATOM 0 HB3 SER A 47 -7.551 -3.730 -9.896 1.00 3.72 H new ATOM 0 HG SER A 47 -9.604 -4.781 -10.146 1.00 4.52 H new ATOM 728 N VAL A 48 -6.317 -1.176 -8.456 1.00 2.12 N ATOM 729 CA VAL A 48 -4.960 -0.650 -8.400 1.00 1.80 C ATOM 730 C VAL A 48 -4.006 -1.604 -7.695 1.00 1.55 C ATOM 731 O VAL A 48 -4.237 -2.005 -6.554 1.00 1.97 O ATOM 732 CB VAL A 48 -4.913 0.708 -7.678 1.00 2.53 C ATOM 733 CG1 VAL A 48 -3.506 1.285 -7.717 1.00 2.98 C ATOM 734 CG2 VAL A 48 -5.913 1.675 -8.293 1.00 3.50 C ATOM 0 H VAL A 48 -6.688 -1.491 -7.560 1.00 2.12 H new ATOM 0 HA VAL A 48 -4.642 -0.528 -9.435 1.00 1.80 H new ATOM 0 HB VAL A 48 -5.188 0.554 -6.635 1.00 2.53 H new ATOM 0 HG11 VAL A 48 -3.492 2.245 -7.202 1.00 2.98 H new ATOM 0 HG12 VAL A 48 -2.817 0.599 -7.224 1.00 2.98 H new ATOM 0 HG13 VAL A 48 -3.199 1.425 -8.753 1.00 2.98 H new ATOM 0 HG21 VAL A 48 -5.865 2.630 -7.769 1.00 3.50 H new ATOM 0 HG22 VAL A 48 -5.673 1.826 -9.345 1.00 3.50 H new ATOM 0 HG23 VAL A 48 -6.918 1.263 -8.206 1.00 3.50 H new ATOM 744 N THR A 49 -2.919 -1.942 -8.378 1.00 1.13 N ATOM 745 CA THR A 49 -1.906 -2.825 -7.820 1.00 0.98 C ATOM 746 C THR A 49 -0.670 -2.017 -7.445 1.00 0.69 C ATOM 747 O THR A 49 -0.184 -1.212 -8.239 1.00 0.71 O ATOM 748 CB THR A 49 -1.513 -3.936 -8.811 1.00 1.22 C ATOM 749 OG1 THR A 49 -0.995 -3.358 -10.015 1.00 1.28 O ATOM 750 CG2 THR A 49 -2.710 -4.817 -9.137 1.00 1.46 C ATOM 0 H THR A 49 -2.717 -1.616 -9.323 1.00 1.13 H new ATOM 0 HA THR A 49 -2.327 -3.297 -6.932 1.00 0.98 H new ATOM 0 HB THR A 49 -0.744 -4.553 -8.346 1.00 1.22 H new ATOM 0 HG1 THR A 49 -0.580 -2.494 -9.811 1.00 1.28 H new ATOM 0 HG21 THR A 49 -2.409 -5.595 -9.839 1.00 1.46 H new ATOM 0 HG22 THR A 49 -3.082 -5.278 -8.222 1.00 1.46 H new ATOM 0 HG23 THR A 49 -3.497 -4.210 -9.584 1.00 1.46 H new ATOM 758 N ILE A 50 -0.174 -2.215 -6.230 1.00 0.66 N ATOM 759 CA ILE A 50 0.993 -1.476 -5.765 1.00 0.49 C ATOM 760 C ILE A 50 2.271 -2.294 -5.885 1.00 0.37 C ATOM 761 O ILE A 50 2.510 -3.219 -5.107 1.00 0.36 O ATOM 762 CB ILE A 50 0.825 -1.025 -4.302 1.00 0.66 C ATOM 763 CG1 ILE A 50 -0.484 -0.253 -4.130 1.00 0.95 C ATOM 764 CG2 ILE A 50 2.012 -0.176 -3.869 1.00 0.78 C ATOM 765 CD1 ILE A 50 -0.602 0.950 -5.040 1.00 1.01 C ATOM 0 H ILE A 50 -0.558 -2.875 -5.554 1.00 0.66 H new ATOM 0 HA ILE A 50 1.075 -0.600 -6.408 1.00 0.49 H new ATOM 0 HB ILE A 50 0.787 -1.910 -3.666 1.00 0.66 H new ATOM 0 HG12 ILE A 50 -1.320 -0.926 -4.320 1.00 0.95 H new ATOM 0 HG13 ILE A 50 -0.569 0.076 -3.094 1.00 0.95 H new ATOM 0 HG21 ILE A 50 1.878 0.135 -2.833 1.00 0.78 H new ATOM 0 HG22 ILE A 50 2.928 -0.760 -3.957 1.00 0.78 H new ATOM 0 HG23 ILE A 50 2.081 0.706 -4.506 1.00 0.78 H new ATOM 0 HD11 ILE A 50 -1.555 1.448 -4.863 1.00 1.01 H new ATOM 0 HD12 ILE A 50 0.214 1.643 -4.834 1.00 1.01 H new ATOM 0 HD13 ILE A 50 -0.550 0.626 -6.080 1.00 1.01 H new ATOM 777 N THR A 51 3.098 -1.928 -6.858 1.00 0.41 N ATOM 778 CA THR A 51 4.367 -2.604 -7.079 1.00 0.44 C ATOM 779 C THR A 51 5.465 -1.935 -6.264 1.00 0.40 C ATOM 780 O THR A 51 5.207 -0.980 -5.532 1.00 0.50 O ATOM 781 CB THR A 51 4.762 -2.597 -8.568 1.00 0.56 C ATOM 782 OG1 THR A 51 4.129 -1.501 -9.238 1.00 0.79 O ATOM 783 CG2 THR A 51 4.365 -3.904 -9.236 1.00 1.04 C ATOM 0 H THR A 51 2.910 -1.164 -7.507 1.00 0.41 H new ATOM 0 HA THR A 51 4.247 -3.640 -6.761 1.00 0.44 H new ATOM 0 HB THR A 51 5.844 -2.486 -8.635 1.00 0.56 H new ATOM 0 HG1 THR A 51 4.387 -1.503 -10.184 1.00 0.79 H new ATOM 0 HG21 THR A 51 4.653 -3.878 -10.287 1.00 1.04 H new ATOM 0 HG22 THR A 51 4.871 -4.734 -8.742 1.00 1.04 H new ATOM 0 HG23 THR A 51 3.286 -4.039 -9.159 1.00 1.04 H new ATOM 791 N SER A 52 6.685 -2.437 -6.382 1.00 0.49 N ATOM 792 CA SER A 52 7.801 -1.872 -5.638 1.00 0.56 C ATOM 793 C SER A 52 8.858 -1.287 -6.570 1.00 0.56 C ATOM 794 O SER A 52 9.284 -0.146 -6.394 1.00 0.66 O ATOM 795 CB SER A 52 8.424 -2.937 -4.735 1.00 0.63 C ATOM 796 OG SER A 52 7.973 -2.799 -3.399 1.00 1.36 O ATOM 0 H SER A 52 6.927 -3.227 -6.980 1.00 0.49 H new ATOM 0 HA SER A 52 7.415 -1.060 -5.022 1.00 0.56 H new ATOM 0 HB2 SER A 52 8.169 -3.929 -5.108 1.00 0.63 H new ATOM 0 HB3 SER A 52 9.510 -2.854 -4.766 1.00 0.63 H new ATOM 0 HG SER A 52 8.740 -2.640 -2.810 1.00 1.36 H new ATOM 802 N ARG A 53 9.295 -2.076 -7.551 1.00 0.54 N ATOM 803 CA ARG A 53 10.320 -1.623 -8.491 1.00 0.63 C ATOM 804 C ARG A 53 11.679 -1.479 -7.775 1.00 0.58 C ATOM 805 O ARG A 53 12.646 -0.969 -8.342 1.00 0.68 O ATOM 806 CB ARG A 53 9.853 -0.300 -9.149 1.00 0.83 C ATOM 807 CG ARG A 53 10.919 0.779 -9.325 1.00 1.39 C ATOM 808 CD ARG A 53 11.863 0.453 -10.473 1.00 2.19 C ATOM 809 NE ARG A 53 13.086 1.250 -10.419 1.00 2.73 N ATOM 810 CZ ARG A 53 14.019 1.239 -11.368 1.00 3.54 C ATOM 811 NH1 ARG A 53 13.872 0.469 -12.438 1.00 4.04 N ATOM 812 NH2 ARG A 53 15.099 1.999 -11.245 1.00 4.23 N ATOM 0 H ARG A 53 8.959 -3.025 -7.715 1.00 0.54 H new ATOM 0 HA ARG A 53 10.460 -2.361 -9.281 1.00 0.63 H new ATOM 0 HB2 ARG A 53 9.437 -0.533 -10.129 1.00 0.83 H new ATOM 0 HB3 ARG A 53 9.043 0.114 -8.549 1.00 0.83 H new ATOM 0 HG2 ARG A 53 10.438 1.739 -9.510 1.00 1.39 H new ATOM 0 HG3 ARG A 53 11.490 0.881 -8.402 1.00 1.39 H new ATOM 0 HD2 ARG A 53 12.119 -0.606 -10.442 1.00 2.19 H new ATOM 0 HD3 ARG A 53 11.356 0.631 -11.421 1.00 2.19 H new ATOM 0 HE ARG A 53 13.233 1.850 -9.607 1.00 2.73 H new ATOM 0 HH11 ARG A 53 13.042 -0.116 -12.535 1.00 4.04 H new ATOM 0 HH12 ARG A 53 14.589 0.462 -13.164 1.00 4.04 H new ATOM 0 HH21 ARG A 53 15.214 2.592 -10.423 1.00 4.23 H new ATOM 0 HH22 ARG A 53 15.814 1.991 -11.972 1.00 4.23 H new ATOM 826 N TYR A 54 11.742 -1.942 -6.528 1.00 0.45 N ATOM 827 CA TYR A 54 12.954 -1.873 -5.730 1.00 0.41 C ATOM 828 C TYR A 54 12.721 -2.597 -4.413 1.00 0.31 C ATOM 829 O TYR A 54 11.596 -3.003 -4.119 1.00 0.28 O ATOM 830 CB TYR A 54 13.352 -0.417 -5.473 1.00 0.50 C ATOM 831 CG TYR A 54 14.626 -0.003 -6.177 1.00 1.15 C ATOM 832 CD1 TYR A 54 15.786 -0.759 -6.059 1.00 1.89 C ATOM 833 CD2 TYR A 54 14.667 1.142 -6.961 1.00 1.77 C ATOM 834 CE1 TYR A 54 16.950 -0.384 -6.702 1.00 2.72 C ATOM 835 CE2 TYR A 54 15.827 1.523 -7.608 1.00 2.59 C ATOM 836 CZ TYR A 54 16.965 0.757 -7.476 1.00 2.95 C ATOM 837 OH TYR A 54 18.122 1.134 -8.119 1.00 3.88 O ATOM 0 H TYR A 54 10.953 -2.374 -6.047 1.00 0.45 H new ATOM 0 HA TYR A 54 13.769 -2.352 -6.273 1.00 0.41 H new ATOM 0 HB2 TYR A 54 12.540 0.235 -5.796 1.00 0.50 H new ATOM 0 HB3 TYR A 54 13.474 -0.267 -4.400 1.00 0.50 H new ATOM 0 HD1 TYR A 54 15.778 -1.654 -5.455 1.00 1.89 H new ATOM 0 HD2 TYR A 54 13.777 1.745 -7.067 1.00 1.77 H new ATOM 0 HE1 TYR A 54 17.844 -0.982 -6.599 1.00 2.72 H new ATOM 0 HE2 TYR A 54 15.842 2.417 -8.214 1.00 2.59 H new ATOM 0 HH TYR A 54 17.962 1.959 -8.623 1.00 3.88 H new ATOM 847 N ASP A 55 13.767 -2.767 -3.622 1.00 0.30 N ATOM 848 CA ASP A 55 13.624 -3.455 -2.348 1.00 0.24 C ATOM 849 C ASP A 55 13.465 -2.451 -1.216 1.00 0.23 C ATOM 850 O ASP A 55 14.302 -1.568 -1.031 1.00 0.28 O ATOM 851 CB ASP A 55 14.823 -4.365 -2.080 1.00 0.28 C ATOM 852 CG ASP A 55 15.374 -4.998 -3.344 1.00 1.01 C ATOM 853 OD1 ASP A 55 14.711 -5.903 -3.893 1.00 1.33 O ATOM 854 OD2 ASP A 55 16.469 -4.589 -3.785 1.00 1.52 O ATOM 0 H ASP A 55 14.711 -2.444 -3.834 1.00 0.30 H new ATOM 0 HA ASP A 55 12.728 -4.074 -2.398 1.00 0.24 H new ATOM 0 HB2 ASP A 55 15.610 -3.788 -1.595 1.00 0.28 H new ATOM 0 HB3 ASP A 55 14.529 -5.151 -1.384 1.00 0.28 H new ATOM 859 N GLY A 56 12.370 -2.581 -0.473 1.00 0.18 N ATOM 860 CA GLY A 56 12.106 -1.666 0.618 1.00 0.18 C ATOM 861 C GLY A 56 11.786 -2.368 1.919 1.00 0.15 C ATOM 862 O GLY A 56 11.502 -3.560 1.934 1.00 0.15 O ATOM 0 H GLY A 56 11.663 -3.303 -0.608 1.00 0.18 H new ATOM 0 HA2 GLY A 56 12.974 -1.023 0.763 1.00 0.18 H new ATOM 0 HA3 GLY A 56 11.272 -1.018 0.347 1.00 0.18 H new ATOM 866 N VAL A 57 11.841 -1.628 3.017 1.00 0.18 N ATOM 867 CA VAL A 57 11.563 -2.199 4.330 1.00 0.21 C ATOM 868 C VAL A 57 10.198 -1.771 4.862 1.00 0.22 C ATOM 869 O VAL A 57 9.946 -0.585 5.069 1.00 0.26 O ATOM 870 CB VAL A 57 12.646 -1.803 5.352 1.00 0.30 C ATOM 871 CG1 VAL A 57 12.531 -2.650 6.610 1.00 1.06 C ATOM 872 CG2 VAL A 57 14.031 -1.932 4.737 1.00 1.11 C ATOM 0 H VAL A 57 12.074 -0.635 3.027 1.00 0.18 H new ATOM 0 HA VAL A 57 11.564 -3.281 4.200 1.00 0.21 H new ATOM 0 HB VAL A 57 12.493 -0.761 5.631 1.00 0.30 H new ATOM 0 HG11 VAL A 57 13.304 -2.355 7.319 1.00 1.06 H new ATOM 0 HG12 VAL A 57 11.550 -2.501 7.060 1.00 1.06 H new ATOM 0 HG13 VAL A 57 12.656 -3.702 6.353 1.00 1.06 H new ATOM 0 HG21 VAL A 57 14.784 -1.648 5.473 1.00 1.11 H new ATOM 0 HG22 VAL A 57 14.197 -2.964 4.427 1.00 1.11 H new ATOM 0 HG23 VAL A 57 14.106 -1.276 3.870 1.00 1.11 H new ATOM 882 N ILE A 58 9.332 -2.753 5.103 1.00 0.21 N ATOM 883 CA ILE A 58 7.998 -2.495 5.637 1.00 0.24 C ATOM 884 C ILE A 58 7.998 -2.742 7.137 1.00 0.33 C ATOM 885 O ILE A 58 8.446 -3.797 7.597 1.00 0.38 O ATOM 886 CB ILE A 58 6.940 -3.388 4.962 1.00 0.19 C ATOM 887 CG1 ILE A 58 7.095 -3.310 3.447 1.00 0.20 C ATOM 888 CG2 ILE A 58 5.538 -2.966 5.369 1.00 0.23 C ATOM 889 CD1 ILE A 58 6.150 -4.212 2.691 1.00 0.17 C ATOM 0 H ILE A 58 9.532 -3.739 4.936 1.00 0.21 H new ATOM 0 HA ILE A 58 7.741 -1.456 5.430 1.00 0.24 H new ATOM 0 HB ILE A 58 7.092 -4.417 5.288 1.00 0.19 H new ATOM 0 HG12 ILE A 58 6.934 -2.281 3.127 1.00 0.20 H new ATOM 0 HG13 ILE A 58 8.120 -3.569 3.182 1.00 0.20 H new ATOM 0 HG21 ILE A 58 4.808 -3.611 4.880 1.00 0.23 H new ATOM 0 HG22 ILE A 58 5.432 -3.052 6.450 1.00 0.23 H new ATOM 0 HG23 ILE A 58 5.368 -1.932 5.069 1.00 0.23 H new ATOM 0 HD11 ILE A 58 6.320 -4.101 1.620 1.00 0.17 H new ATOM 0 HD12 ILE A 58 6.326 -5.248 2.981 1.00 0.17 H new ATOM 0 HD13 ILE A 58 5.121 -3.939 2.925 1.00 0.17 H new ATOM 901 N LYS A 59 7.542 -1.749 7.897 1.00 0.40 N ATOM 902 CA LYS A 59 7.550 -1.845 9.355 1.00 0.53 C ATOM 903 C LYS A 59 6.205 -2.251 9.952 1.00 0.52 C ATOM 904 O LYS A 59 6.168 -3.027 10.906 1.00 0.61 O ATOM 905 CB LYS A 59 7.994 -0.513 9.959 1.00 0.65 C ATOM 906 CG LYS A 59 8.224 -0.573 11.460 1.00 0.83 C ATOM 907 CD LYS A 59 7.976 0.776 12.115 1.00 1.03 C ATOM 908 CE LYS A 59 8.987 1.057 13.215 1.00 1.51 C ATOM 909 NZ LYS A 59 9.912 2.165 12.848 1.00 2.14 N ATOM 0 H LYS A 59 7.165 -0.875 7.531 1.00 0.40 H new ATOM 0 HA LYS A 59 8.254 -2.638 9.605 1.00 0.53 H new ATOM 0 HB2 LYS A 59 8.914 -0.191 9.471 1.00 0.65 H new ATOM 0 HB3 LYS A 59 7.239 0.243 9.745 1.00 0.65 H new ATOM 0 HG2 LYS A 59 7.564 -1.320 11.901 1.00 0.83 H new ATOM 0 HG3 LYS A 59 9.246 -0.894 11.660 1.00 0.83 H new ATOM 0 HD2 LYS A 59 8.029 1.562 11.362 1.00 1.03 H new ATOM 0 HD3 LYS A 59 6.969 0.800 12.531 1.00 1.03 H new ATOM 0 HE2 LYS A 59 8.461 1.313 14.135 1.00 1.51 H new ATOM 0 HE3 LYS A 59 9.564 0.154 13.418 1.00 1.51 H new ATOM 0 HZ1 LYS A 59 10.586 2.326 13.624 1.00 2.14 H new ATOM 0 HZ2 LYS A 59 10.433 1.911 11.984 1.00 2.14 H new ATOM 0 HZ3 LYS A 59 9.364 3.033 12.679 1.00 2.14 H new ATOM 923 N LYS A 60 5.104 -1.724 9.428 1.00 0.44 N ATOM 924 CA LYS A 60 3.799 -2.065 9.986 1.00 0.45 C ATOM 925 C LYS A 60 2.701 -2.134 8.932 1.00 0.37 C ATOM 926 O LYS A 60 2.708 -1.397 7.947 1.00 0.53 O ATOM 927 CB LYS A 60 3.409 -1.053 11.065 1.00 0.55 C ATOM 928 CG LYS A 60 3.009 0.303 10.511 1.00 0.76 C ATOM 929 CD LYS A 60 4.214 1.071 9.995 1.00 0.51 C ATOM 930 CE LYS A 60 4.403 2.377 10.750 1.00 0.71 C ATOM 931 NZ LYS A 60 3.173 3.215 10.726 1.00 1.35 N ATOM 0 H LYS A 60 5.085 -1.077 8.640 1.00 0.44 H new ATOM 0 HA LYS A 60 3.895 -3.061 10.418 1.00 0.45 H new ATOM 0 HB2 LYS A 60 2.581 -1.457 11.648 1.00 0.55 H new ATOM 0 HB3 LYS A 60 4.247 -0.923 11.750 1.00 0.55 H new ATOM 0 HG2 LYS A 60 2.289 0.169 9.704 1.00 0.76 H new ATOM 0 HG3 LYS A 60 2.512 0.883 11.289 1.00 0.76 H new ATOM 0 HD2 LYS A 60 5.109 0.457 10.096 1.00 0.51 H new ATOM 0 HD3 LYS A 60 4.088 1.278 8.932 1.00 0.51 H new ATOM 0 HE2 LYS A 60 4.676 2.163 11.783 1.00 0.71 H new ATOM 0 HE3 LYS A 60 5.230 2.934 10.310 1.00 0.71 H new ATOM 0 HZ1 LYS A 60 3.398 4.171 11.068 1.00 1.35 H new ATOM 0 HZ2 LYS A 60 2.811 3.272 9.753 1.00 1.35 H new ATOM 0 HZ3 LYS A 60 2.450 2.788 11.340 1.00 1.35 H new ATOM 945 N LEU A 61 1.746 -3.023 9.182 1.00 0.35 N ATOM 946 CA LEU A 61 0.599 -3.217 8.307 1.00 0.37 C ATOM 947 C LEU A 61 -0.659 -3.371 9.157 1.00 0.56 C ATOM 948 O LEU A 61 -0.643 -4.073 10.168 1.00 0.94 O ATOM 949 CB LEU A 61 0.798 -4.452 7.425 1.00 0.39 C ATOM 950 CG LEU A 61 1.832 -4.296 6.307 1.00 0.33 C ATOM 951 CD1 LEU A 61 2.607 -5.588 6.119 1.00 1.14 C ATOM 952 CD2 LEU A 61 1.152 -3.888 5.010 1.00 0.91 C ATOM 0 H LEU A 61 1.747 -3.631 10.001 1.00 0.35 H new ATOM 0 HA LEU A 61 0.494 -2.350 7.655 1.00 0.37 H new ATOM 0 HB2 LEU A 61 1.096 -5.287 8.059 1.00 0.39 H new ATOM 0 HB3 LEU A 61 -0.160 -4.717 6.977 1.00 0.39 H new ATOM 0 HG LEU A 61 2.534 -3.511 6.590 1.00 0.33 H new ATOM 0 HD11 LEU A 61 3.338 -5.461 5.321 1.00 1.14 H new ATOM 0 HD12 LEU A 61 3.122 -5.842 7.046 1.00 1.14 H new ATOM 0 HD13 LEU A 61 1.918 -6.391 5.856 1.00 1.14 H new ATOM 0 HD21 LEU A 61 1.900 -3.781 4.225 1.00 0.91 H new ATOM 0 HD22 LEU A 61 0.430 -4.652 4.722 1.00 0.91 H new ATOM 0 HD23 LEU A 61 0.637 -2.938 5.152 1.00 0.91 H new ATOM 964 N TYR A 62 -1.739 -2.703 8.769 1.00 0.68 N ATOM 965 CA TYR A 62 -2.979 -2.773 9.537 1.00 0.88 C ATOM 966 C TYR A 62 -4.102 -3.450 8.757 1.00 0.75 C ATOM 967 O TYR A 62 -4.821 -4.290 9.297 1.00 0.87 O ATOM 968 CB TYR A 62 -3.418 -1.368 9.952 1.00 1.16 C ATOM 969 CG TYR A 62 -3.699 -1.235 11.431 1.00 1.24 C ATOM 970 CD1 TYR A 62 -4.672 -2.013 12.044 1.00 1.81 C ATOM 971 CD2 TYR A 62 -2.990 -0.333 12.214 1.00 1.55 C ATOM 972 CE1 TYR A 62 -4.932 -1.896 13.397 1.00 2.35 C ATOM 973 CE2 TYR A 62 -3.244 -0.209 13.567 1.00 2.07 C ATOM 974 CZ TYR A 62 -4.215 -0.993 14.153 1.00 2.38 C ATOM 975 OH TYR A 62 -4.469 -0.875 15.500 1.00 3.08 O ATOM 0 H TYR A 62 -1.783 -2.113 7.938 1.00 0.68 H new ATOM 0 HA TYR A 62 -2.778 -3.377 10.422 1.00 0.88 H new ATOM 0 HB2 TYR A 62 -2.641 -0.656 9.673 1.00 1.16 H new ATOM 0 HB3 TYR A 62 -4.314 -1.097 9.394 1.00 1.16 H new ATOM 0 HD1 TYR A 62 -5.235 -2.721 11.454 1.00 1.81 H new ATOM 0 HD2 TYR A 62 -2.228 0.282 11.758 1.00 1.55 H new ATOM 0 HE1 TYR A 62 -5.692 -2.508 13.859 1.00 2.35 H new ATOM 0 HE2 TYR A 62 -2.685 0.498 14.162 1.00 2.07 H new ATOM 0 HH TYR A 62 -3.877 -0.196 15.886 1.00 3.08 H new ATOM 985 N TYR A 63 -4.260 -3.072 7.496 1.00 0.64 N ATOM 986 CA TYR A 63 -5.314 -3.637 6.661 1.00 0.62 C ATOM 987 C TYR A 63 -4.849 -4.910 5.961 1.00 0.63 C ATOM 988 O TYR A 63 -3.719 -4.993 5.479 1.00 0.73 O ATOM 989 CB TYR A 63 -5.782 -2.602 5.639 1.00 0.79 C ATOM 990 CG TYR A 63 -6.221 -1.298 6.271 1.00 1.02 C ATOM 991 CD1 TYR A 63 -5.287 -0.381 6.736 1.00 1.16 C ATOM 992 CD2 TYR A 63 -7.568 -0.988 6.410 1.00 1.28 C ATOM 993 CE1 TYR A 63 -5.682 0.808 7.319 1.00 1.45 C ATOM 994 CE2 TYR A 63 -7.970 0.199 6.993 1.00 1.56 C ATOM 995 CZ TYR A 63 -7.024 1.093 7.445 1.00 1.60 C ATOM 996 OH TYR A 63 -7.422 2.276 8.025 1.00 1.93 O ATOM 0 H TYR A 63 -3.675 -2.379 7.029 1.00 0.64 H new ATOM 0 HA TYR A 63 -6.151 -3.904 7.306 1.00 0.62 H new ATOM 0 HB2 TYR A 63 -4.973 -2.404 4.936 1.00 0.79 H new ATOM 0 HB3 TYR A 63 -6.610 -3.017 5.064 1.00 0.79 H new ATOM 0 HD1 TYR A 63 -4.234 -0.601 6.640 1.00 1.16 H new ATOM 0 HD2 TYR A 63 -8.313 -1.686 6.057 1.00 1.28 H new ATOM 0 HE1 TYR A 63 -4.942 1.510 7.674 1.00 1.45 H new ATOM 0 HE2 TYR A 63 -9.021 0.425 7.094 1.00 1.56 H new ATOM 0 HH TYR A 63 -8.401 2.322 8.036 1.00 1.93 H new ATOM 1006 N ASN A 64 -5.734 -5.903 5.917 1.00 0.63 N ATOM 1007 CA ASN A 64 -5.427 -7.180 5.287 1.00 0.67 C ATOM 1008 C ASN A 64 -6.359 -7.464 4.116 1.00 0.49 C ATOM 1009 O ASN A 64 -7.159 -6.619 3.714 1.00 0.47 O ATOM 1010 CB ASN A 64 -5.540 -8.316 6.305 1.00 0.93 C ATOM 1011 CG ASN A 64 -4.542 -8.181 7.439 1.00 1.14 C ATOM 1012 OD1 ASN A 64 -4.920 -8.109 8.608 1.00 1.70 O ATOM 1013 ND2 ASN A 64 -3.260 -8.146 7.097 1.00 1.03 N ATOM 0 H ASN A 64 -6.672 -5.845 6.312 1.00 0.63 H new ATOM 0 HA ASN A 64 -4.405 -7.120 4.912 1.00 0.67 H new ATOM 0 HB2 ASN A 64 -6.550 -8.334 6.714 1.00 0.93 H new ATOM 0 HB3 ASN A 64 -5.384 -9.269 5.800 1.00 0.93 H new ATOM 0 HD21 ASN A 64 -2.543 -8.056 7.816 1.00 1.03 H new ATOM 0 HD22 ASN A 64 -2.992 -8.209 6.115 1.00 1.03 H new ATOM 1020 N LEU A 65 -6.232 -8.668 3.577 1.00 0.54 N ATOM 1021 CA LEU A 65 -7.029 -9.115 2.449 1.00 0.54 C ATOM 1022 C LEU A 65 -8.528 -8.951 2.700 1.00 0.66 C ATOM 1023 O LEU A 65 -9.311 -8.839 1.757 1.00 0.77 O ATOM 1024 CB LEU A 65 -6.716 -10.583 2.176 1.00 0.66 C ATOM 1025 CG LEU A 65 -5.372 -10.847 1.494 1.00 0.75 C ATOM 1026 CD1 LEU A 65 -4.452 -11.630 2.419 1.00 1.06 C ATOM 1027 CD2 LEU A 65 -5.573 -11.594 0.182 1.00 1.04 C ATOM 0 H LEU A 65 -5.568 -9.365 3.914 1.00 0.54 H new ATOM 0 HA LEU A 65 -6.773 -8.497 1.588 1.00 0.54 H new ATOM 0 HB2 LEU A 65 -6.738 -11.124 3.122 1.00 0.66 H new ATOM 0 HB3 LEU A 65 -7.509 -10.997 1.553 1.00 0.66 H new ATOM 0 HG LEU A 65 -4.904 -9.888 1.272 1.00 0.75 H new ATOM 0 HD11 LEU A 65 -3.500 -11.810 1.919 1.00 1.06 H new ATOM 0 HD12 LEU A 65 -4.281 -11.058 3.331 1.00 1.06 H new ATOM 0 HD13 LEU A 65 -4.915 -12.584 2.671 1.00 1.06 H new ATOM 0 HD21 LEU A 65 -4.605 -11.772 -0.287 1.00 1.04 H new ATOM 0 HD22 LEU A 65 -6.062 -12.548 0.378 1.00 1.04 H new ATOM 0 HD23 LEU A 65 -6.195 -10.997 -0.485 1.00 1.04 H new ATOM 1039 N ASP A 66 -8.929 -8.966 3.967 1.00 0.75 N ATOM 1040 CA ASP A 66 -10.342 -8.849 4.315 1.00 0.92 C ATOM 1041 C ASP A 66 -10.709 -7.446 4.796 1.00 0.87 C ATOM 1042 O ASP A 66 -11.864 -7.035 4.691 1.00 1.00 O ATOM 1043 CB ASP A 66 -10.703 -9.877 5.390 1.00 1.12 C ATOM 1044 CG ASP A 66 -10.672 -11.299 4.863 1.00 1.74 C ATOM 1045 OD1 ASP A 66 -9.571 -11.886 4.802 1.00 2.33 O ATOM 1046 OD2 ASP A 66 -11.748 -11.826 4.512 1.00 2.30 O ATOM 0 H ASP A 66 -8.301 -9.057 4.766 1.00 0.75 H new ATOM 0 HA ASP A 66 -10.915 -9.043 3.408 1.00 0.92 H new ATOM 0 HB2 ASP A 66 -10.007 -9.786 6.224 1.00 1.12 H new ATOM 0 HB3 ASP A 66 -11.697 -9.658 5.779 1.00 1.12 H new ATOM 1051 N ASP A 67 -9.737 -6.717 5.335 1.00 0.77 N ATOM 1052 CA ASP A 67 -9.999 -5.372 5.838 1.00 0.81 C ATOM 1053 C ASP A 67 -10.129 -4.356 4.705 1.00 0.69 C ATOM 1054 O ASP A 67 -9.611 -4.554 3.600 1.00 0.56 O ATOM 1055 CB ASP A 67 -8.906 -4.933 6.809 1.00 0.92 C ATOM 1056 CG ASP A 67 -9.470 -4.253 8.043 1.00 1.35 C ATOM 1057 OD1 ASP A 67 -10.656 -3.861 8.015 1.00 1.54 O ATOM 1058 OD2 ASP A 67 -8.726 -4.113 9.035 1.00 1.85 O ATOM 0 H ASP A 67 -8.771 -7.030 5.434 1.00 0.77 H new ATOM 0 HA ASP A 67 -10.951 -5.409 6.367 1.00 0.81 H new ATOM 0 HB2 ASP A 67 -8.321 -5.802 7.111 1.00 0.92 H new ATOM 0 HB3 ASP A 67 -8.224 -4.251 6.301 1.00 0.92 H new ATOM 1063 N ILE A 68 -10.833 -3.268 5.005 1.00 0.83 N ATOM 1064 CA ILE A 68 -11.073 -2.192 4.047 1.00 0.78 C ATOM 1065 C ILE A 68 -10.308 -0.941 4.424 1.00 0.99 C ATOM 1066 O ILE A 68 -10.228 -0.577 5.595 1.00 1.38 O ATOM 1067 CB ILE A 68 -12.571 -1.820 3.965 1.00 1.07 C ATOM 1068 CG1 ILE A 68 -13.461 -3.019 4.304 1.00 1.27 C ATOM 1069 CG2 ILE A 68 -12.905 -1.290 2.581 1.00 1.06 C ATOM 1070 CD1 ILE A 68 -13.409 -4.113 3.264 1.00 1.10 C ATOM 0 H ILE A 68 -11.254 -3.107 5.920 1.00 0.83 H new ATOM 0 HA ILE A 68 -10.733 -2.566 3.081 1.00 0.78 H new ATOM 0 HB ILE A 68 -12.765 -1.040 4.701 1.00 1.07 H new ATOM 0 HG12 ILE A 68 -13.157 -3.428 5.267 1.00 1.27 H new ATOM 0 HG13 ILE A 68 -14.491 -2.679 4.413 1.00 1.27 H new ATOM 0 HG21 ILE A 68 -13.963 -1.032 2.536 1.00 1.06 H new ATOM 0 HG22 ILE A 68 -12.306 -0.403 2.377 1.00 1.06 H new ATOM 0 HG23 ILE A 68 -12.686 -2.055 1.836 1.00 1.06 H new ATOM 0 HD11 ILE A 68 -14.062 -4.932 3.565 1.00 1.10 H new ATOM 0 HD12 ILE A 68 -13.741 -3.718 2.304 1.00 1.10 H new ATOM 0 HD13 ILE A 68 -12.386 -4.479 3.172 1.00 1.10 H new ATOM 1082 N ALA A 69 -9.765 -0.275 3.420 1.00 1.00 N ATOM 1083 CA ALA A 69 -9.024 0.949 3.641 1.00 1.34 C ATOM 1084 C ALA A 69 -9.857 2.153 3.226 1.00 1.19 C ATOM 1085 O ALA A 69 -10.652 2.074 2.277 1.00 1.68 O ATOM 1086 CB ALA A 69 -7.709 0.918 2.880 1.00 2.16 C ATOM 0 H ALA A 69 -9.825 -0.564 2.444 1.00 1.00 H new ATOM 0 HA ALA A 69 -8.801 1.035 4.705 1.00 1.34 H new ATOM 0 HB1 ALA A 69 -7.164 1.845 3.057 1.00 2.16 H new ATOM 0 HB2 ALA A 69 -7.110 0.074 3.223 1.00 2.16 H new ATOM 0 HB3 ALA A 69 -7.908 0.812 1.814 1.00 2.16 H new ATOM 1092 N TYR A 70 -9.664 3.262 3.936 1.00 1.18 N ATOM 1093 CA TYR A 70 -10.384 4.497 3.652 1.00 1.38 C ATOM 1094 C TYR A 70 -9.466 5.504 2.970 1.00 1.17 C ATOM 1095 O TYR A 70 -8.259 5.523 3.212 1.00 1.21 O ATOM 1096 CB TYR A 70 -10.958 5.103 4.939 1.00 1.97 C ATOM 1097 CG TYR A 70 -11.249 4.090 6.025 1.00 2.80 C ATOM 1098 CD1 TYR A 70 -11.799 2.851 5.718 1.00 3.47 C ATOM 1099 CD2 TYR A 70 -10.972 4.373 7.356 1.00 3.17 C ATOM 1100 CE1 TYR A 70 -12.064 1.924 6.709 1.00 4.42 C ATOM 1101 CE2 TYR A 70 -11.234 3.451 8.351 1.00 4.07 C ATOM 1102 CZ TYR A 70 -11.780 2.228 8.023 1.00 4.67 C ATOM 1103 OH TYR A 70 -12.042 1.307 9.011 1.00 5.65 O ATOM 0 H TYR A 70 -9.011 3.329 4.716 1.00 1.18 H new ATOM 0 HA TYR A 70 -11.210 4.259 2.982 1.00 1.38 H new ATOM 0 HB2 TYR A 70 -10.255 5.841 5.325 1.00 1.97 H new ATOM 0 HB3 TYR A 70 -11.878 5.635 4.698 1.00 1.97 H new ATOM 0 HD1 TYR A 70 -12.023 2.609 4.690 1.00 3.47 H new ATOM 0 HD2 TYR A 70 -10.545 5.330 7.618 1.00 3.17 H new ATOM 0 HE1 TYR A 70 -12.492 0.966 6.454 1.00 4.42 H new ATOM 0 HE2 TYR A 70 -11.012 3.687 9.381 1.00 4.07 H new ATOM 0 HH TYR A 70 -11.783 1.677 9.881 1.00 5.65 H new ATOM 1113 N VAL A 71 -10.042 6.334 2.110 1.00 1.69 N ATOM 1114 CA VAL A 71 -9.272 7.336 1.384 1.00 2.02 C ATOM 1115 C VAL A 71 -9.075 8.598 2.220 1.00 2.00 C ATOM 1116 O VAL A 71 -10.023 9.120 2.805 1.00 2.35 O ATOM 1117 CB VAL A 71 -9.955 7.731 0.056 1.00 2.95 C ATOM 1118 CG1 VAL A 71 -8.956 8.399 -0.874 1.00 3.18 C ATOM 1119 CG2 VAL A 71 -10.594 6.526 -0.626 1.00 3.61 C ATOM 0 H VAL A 71 -11.040 6.333 1.898 1.00 1.69 H new ATOM 0 HA VAL A 71 -8.304 6.882 1.170 1.00 2.02 H new ATOM 0 HB VAL A 71 -10.750 8.439 0.289 1.00 2.95 H new ATOM 0 HG11 VAL A 71 -9.452 8.672 -1.806 1.00 3.18 H new ATOM 0 HG12 VAL A 71 -8.559 9.296 -0.398 1.00 3.18 H new ATOM 0 HG13 VAL A 71 -8.139 7.709 -1.086 1.00 3.18 H new ATOM 0 HG21 VAL A 71 -11.065 6.842 -1.557 1.00 3.61 H new ATOM 0 HG22 VAL A 71 -9.828 5.781 -0.841 1.00 3.61 H new ATOM 0 HG23 VAL A 71 -11.347 6.092 0.032 1.00 3.61 H new ATOM 1129 N GLY A 72 -7.840 9.094 2.261 1.00 1.84 N ATOM 1130 CA GLY A 72 -7.555 10.301 3.017 1.00 1.87 C ATOM 1131 C GLY A 72 -6.503 10.110 4.096 1.00 1.57 C ATOM 1132 O GLY A 72 -6.165 11.057 4.807 1.00 1.63 O ATOM 0 H GLY A 72 -7.036 8.683 1.786 1.00 1.84 H new ATOM 0 HA2 GLY A 72 -7.222 11.079 2.330 1.00 1.87 H new ATOM 0 HA3 GLY A 72 -8.476 10.656 3.479 1.00 1.87 H new ATOM 1136 N LYS A 73 -5.977 8.894 4.226 1.00 1.31 N ATOM 1137 CA LYS A 73 -4.959 8.620 5.235 1.00 1.09 C ATOM 1138 C LYS A 73 -4.061 7.453 4.826 1.00 0.83 C ATOM 1139 O LYS A 73 -4.512 6.506 4.182 1.00 0.79 O ATOM 1140 CB LYS A 73 -5.618 8.324 6.583 1.00 1.27 C ATOM 1141 CG LYS A 73 -5.472 9.454 7.589 1.00 1.59 C ATOM 1142 CD LYS A 73 -6.116 9.102 8.920 1.00 1.98 C ATOM 1143 CE LYS A 73 -5.147 8.364 9.829 1.00 2.32 C ATOM 1144 NZ LYS A 73 -5.853 7.638 10.921 1.00 2.96 N ATOM 0 H LYS A 73 -6.236 8.092 3.652 1.00 1.31 H new ATOM 0 HA LYS A 73 -4.334 9.509 5.325 1.00 1.09 H new ATOM 0 HB2 LYS A 73 -6.678 8.124 6.424 1.00 1.27 H new ATOM 0 HB3 LYS A 73 -5.181 7.417 7.001 1.00 1.27 H new ATOM 0 HG2 LYS A 73 -4.415 9.672 7.742 1.00 1.59 H new ATOM 0 HG3 LYS A 73 -5.930 10.359 7.190 1.00 1.59 H new ATOM 0 HD2 LYS A 73 -6.457 10.013 9.413 1.00 1.98 H new ATOM 0 HD3 LYS A 73 -6.997 8.484 8.747 1.00 1.98 H new ATOM 0 HE2 LYS A 73 -4.564 7.656 9.240 1.00 2.32 H new ATOM 0 HE3 LYS A 73 -4.442 9.074 10.262 1.00 2.32 H new ATOM 0 HZ1 LYS A 73 -5.157 7.148 11.519 1.00 2.96 H new ATOM 0 HZ2 LYS A 73 -6.389 8.316 11.499 1.00 2.96 H new ATOM 0 HZ3 LYS A 73 -6.507 6.942 10.509 1.00 2.96 H new ATOM 1158 N PRO A 74 -2.770 7.508 5.203 1.00 0.75 N ATOM 1159 CA PRO A 74 -1.799 6.452 4.881 1.00 0.64 C ATOM 1160 C PRO A 74 -2.258 5.078 5.347 1.00 0.53 C ATOM 1161 O PRO A 74 -3.187 4.961 6.146 1.00 0.75 O ATOM 1162 CB PRO A 74 -0.541 6.882 5.639 1.00 0.77 C ATOM 1163 CG PRO A 74 -0.682 8.355 5.779 1.00 0.87 C ATOM 1164 CD PRO A 74 -2.150 8.600 5.975 1.00 0.91 C ATOM 0 HA PRO A 74 -1.651 6.351 3.806 1.00 0.64 H new ATOM 0 HB2 PRO A 74 -0.477 6.394 6.612 1.00 0.77 H new ATOM 0 HB3 PRO A 74 0.363 6.619 5.090 1.00 0.77 H new ATOM 0 HG2 PRO A 74 -0.106 8.726 6.627 1.00 0.87 H new ATOM 0 HG3 PRO A 74 -0.313 8.871 4.892 1.00 0.87 H new ATOM 0 HD2 PRO A 74 -2.430 8.560 7.028 1.00 0.91 H new ATOM 0 HD3 PRO A 74 -2.450 9.579 5.602 1.00 0.91 H new ATOM 1172 N LEU A 75 -1.606 4.038 4.839 1.00 0.40 N ATOM 1173 CA LEU A 75 -1.957 2.673 5.206 1.00 0.49 C ATOM 1174 C LEU A 75 -0.746 1.913 5.736 1.00 0.46 C ATOM 1175 O LEU A 75 -0.819 1.267 6.781 1.00 0.62 O ATOM 1176 CB LEU A 75 -2.541 1.939 3.998 1.00 0.64 C ATOM 1177 CG LEU A 75 -3.106 0.552 4.297 1.00 0.86 C ATOM 1178 CD1 LEU A 75 -4.039 0.106 3.182 1.00 1.84 C ATOM 1179 CD2 LEU A 75 -1.979 -0.454 4.491 1.00 1.32 C ATOM 0 H LEU A 75 -0.835 4.114 4.175 1.00 0.40 H new ATOM 0 HA LEU A 75 -2.703 2.720 5.999 1.00 0.49 H new ATOM 0 HB2 LEU A 75 -3.333 2.552 3.567 1.00 0.64 H new ATOM 0 HB3 LEU A 75 -1.764 1.843 3.240 1.00 0.64 H new ATOM 0 HG LEU A 75 -3.679 0.605 5.223 1.00 0.86 H new ATOM 0 HD11 LEU A 75 -4.433 -0.884 3.411 1.00 1.84 H new ATOM 0 HD12 LEU A 75 -4.864 0.813 3.093 1.00 1.84 H new ATOM 0 HD13 LEU A 75 -3.490 0.069 2.241 1.00 1.84 H new ATOM 0 HD21 LEU A 75 -2.401 -1.436 4.703 1.00 1.32 H new ATOM 0 HD22 LEU A 75 -1.377 -0.506 3.584 1.00 1.32 H new ATOM 0 HD23 LEU A 75 -1.351 -0.141 5.325 1.00 1.32 H new ATOM 1191 N VAL A 76 0.366 1.987 5.011 1.00 0.32 N ATOM 1192 CA VAL A 76 1.584 1.292 5.423 1.00 0.29 C ATOM 1193 C VAL A 76 2.837 2.116 5.138 1.00 0.27 C ATOM 1194 O VAL A 76 2.913 2.807 4.124 1.00 0.35 O ATOM 1195 CB VAL A 76 1.712 -0.069 4.716 1.00 0.36 C ATOM 1196 CG1 VAL A 76 1.922 0.121 3.221 1.00 0.37 C ATOM 1197 CG2 VAL A 76 2.846 -0.880 5.324 1.00 0.47 C ATOM 0 H VAL A 76 0.451 2.516 4.143 1.00 0.32 H new ATOM 0 HA VAL A 76 1.502 1.140 6.499 1.00 0.29 H new ATOM 0 HB VAL A 76 0.783 -0.621 4.859 1.00 0.36 H new ATOM 0 HG11 VAL A 76 2.010 -0.853 2.739 1.00 0.37 H new ATOM 0 HG12 VAL A 76 1.073 0.659 2.800 1.00 0.37 H new ATOM 0 HG13 VAL A 76 2.834 0.693 3.052 1.00 0.37 H new ATOM 0 HG21 VAL A 76 2.922 -1.839 4.812 1.00 0.47 H new ATOM 0 HG22 VAL A 76 3.783 -0.334 5.214 1.00 0.47 H new ATOM 0 HG23 VAL A 76 2.646 -1.048 6.382 1.00 0.47 H new ATOM 1207 N ASP A 77 3.827 2.022 6.026 1.00 0.30 N ATOM 1208 CA ASP A 77 5.082 2.744 5.848 1.00 0.41 C ATOM 1209 C ASP A 77 6.186 1.791 5.402 1.00 0.38 C ATOM 1210 O ASP A 77 6.428 0.756 6.031 1.00 0.41 O ATOM 1211 CB ASP A 77 5.492 3.458 7.137 1.00 0.58 C ATOM 1212 CG ASP A 77 4.304 4.005 7.905 1.00 0.78 C ATOM 1213 OD1 ASP A 77 3.378 3.222 8.205 1.00 1.10 O ATOM 1214 OD2 ASP A 77 4.298 5.217 8.205 1.00 0.87 O ATOM 0 H ASP A 77 3.782 1.454 6.872 1.00 0.30 H new ATOM 0 HA ASP A 77 4.930 3.496 5.074 1.00 0.41 H new ATOM 0 HB2 ASP A 77 6.042 2.764 7.773 1.00 0.58 H new ATOM 0 HB3 ASP A 77 6.171 4.276 6.895 1.00 0.58 H new ATOM 1219 N ILE A 78 6.841 2.146 4.303 1.00 0.44 N ATOM 1220 CA ILE A 78 7.912 1.332 3.739 1.00 0.42 C ATOM 1221 C ILE A 78 9.078 2.200 3.305 1.00 0.41 C ATOM 1222 O ILE A 78 8.884 3.342 2.912 1.00 0.51 O ATOM 1223 CB ILE A 78 7.431 0.543 2.508 1.00 0.42 C ATOM 1224 CG1 ILE A 78 5.987 0.076 2.700 1.00 0.53 C ATOM 1225 CG2 ILE A 78 8.357 -0.631 2.236 1.00 0.48 C ATOM 1226 CD1 ILE A 78 4.974 1.002 2.063 1.00 0.86 C ATOM 0 H ILE A 78 6.647 3.000 3.780 1.00 0.44 H new ATOM 0 HA ILE A 78 8.223 0.640 4.522 1.00 0.42 H new ATOM 0 HB ILE A 78 7.457 1.201 1.639 1.00 0.42 H new ATOM 0 HG12 ILE A 78 5.875 -0.922 2.276 1.00 0.53 H new ATOM 0 HG13 ILE A 78 5.776 -0.005 3.766 1.00 0.53 H new ATOM 0 HG21 ILE A 78 8.003 -1.179 1.363 1.00 0.48 H new ATOM 0 HG22 ILE A 78 9.366 -0.263 2.049 1.00 0.48 H new ATOM 0 HG23 ILE A 78 8.367 -1.294 3.101 1.00 0.48 H new ATOM 0 HD11 ILE A 78 3.969 0.615 2.234 1.00 0.86 H new ATOM 0 HD12 ILE A 78 5.061 1.995 2.504 1.00 0.86 H new ATOM 0 HD13 ILE A 78 5.161 1.064 0.991 1.00 0.86 H new ATOM 1238 N GLU A 79 10.286 1.656 3.343 1.00 0.29 N ATOM 1239 CA GLU A 79 11.444 2.422 2.911 1.00 0.29 C ATOM 1240 C GLU A 79 11.786 2.044 1.479 1.00 0.47 C ATOM 1241 O GLU A 79 12.179 0.916 1.205 1.00 0.79 O ATOM 1242 CB GLU A 79 12.639 2.153 3.829 1.00 0.62 C ATOM 1243 CG GLU A 79 12.764 3.146 4.972 1.00 0.92 C ATOM 1244 CD GLU A 79 14.187 3.279 5.477 1.00 0.96 C ATOM 1245 OE1 GLU A 79 14.774 2.250 5.874 1.00 1.09 O ATOM 1246 OE2 GLU A 79 14.715 4.411 5.476 1.00 1.39 O ATOM 0 H GLU A 79 10.487 0.708 3.661 1.00 0.29 H new ATOM 0 HA GLU A 79 11.210 3.485 2.962 1.00 0.29 H new ATOM 0 HB2 GLU A 79 12.551 1.147 4.240 1.00 0.62 H new ATOM 0 HB3 GLU A 79 13.554 2.176 3.237 1.00 0.62 H new ATOM 0 HG2 GLU A 79 12.407 4.121 4.641 1.00 0.92 H new ATOM 0 HG3 GLU A 79 12.119 2.832 5.793 1.00 0.92 H new ATOM 1253 N THR A 80 11.614 2.996 0.569 1.00 0.64 N ATOM 1254 CA THR A 80 11.881 2.769 -0.846 1.00 1.05 C ATOM 1255 C THR A 80 12.509 4.000 -1.487 1.00 1.00 C ATOM 1256 O THR A 80 12.352 5.116 -0.991 1.00 1.22 O ATOM 1257 CB THR A 80 10.590 2.399 -1.605 1.00 1.51 C ATOM 1258 OG1 THR A 80 9.497 2.299 -0.687 1.00 2.39 O ATOM 1259 CG2 THR A 80 10.748 1.079 -2.347 1.00 1.18 C ATOM 0 H THR A 80 11.289 3.938 0.788 1.00 0.64 H new ATOM 0 HA THR A 80 12.581 1.936 -0.913 1.00 1.05 H new ATOM 0 HB THR A 80 10.391 3.185 -2.334 1.00 1.51 H new ATOM 0 HG1 THR A 80 8.683 2.050 -1.173 1.00 2.39 H new ATOM 0 HG21 THR A 80 9.822 0.844 -2.873 1.00 1.18 H new ATOM 0 HG22 THR A 80 11.563 1.161 -3.066 1.00 1.18 H new ATOM 0 HG23 THR A 80 10.972 0.285 -1.634 1.00 1.18 H new ATOM 1267 N GLU A 81 13.215 3.798 -2.592 1.00 1.27 N ATOM 1268 CA GLU A 81 13.856 4.904 -3.291 1.00 1.30 C ATOM 1269 C GLU A 81 12.824 5.958 -3.677 1.00 1.99 C ATOM 1270 O GLU A 81 11.644 5.651 -3.845 1.00 2.56 O ATOM 1271 CB GLU A 81 14.578 4.399 -4.540 1.00 1.53 C ATOM 1272 CG GLU A 81 15.544 5.410 -5.133 1.00 1.62 C ATOM 1273 CD GLU A 81 15.070 5.959 -6.464 1.00 2.40 C ATOM 1274 OE1 GLU A 81 14.827 5.153 -7.386 1.00 3.13 O ATOM 1275 OE2 GLU A 81 14.940 7.196 -6.584 1.00 2.85 O ATOM 0 H GLU A 81 13.358 2.884 -3.022 1.00 1.27 H new ATOM 0 HA GLU A 81 14.587 5.356 -2.621 1.00 1.30 H new ATOM 0 HB2 GLU A 81 15.124 3.489 -4.291 1.00 1.53 H new ATOM 0 HB3 GLU A 81 13.838 4.130 -5.294 1.00 1.53 H new ATOM 0 HG2 GLU A 81 15.678 6.234 -4.432 1.00 1.62 H new ATOM 0 HG3 GLU A 81 16.519 4.941 -5.264 1.00 1.62 H new ATOM 1282 N ALA A 82 13.272 7.202 -3.808 1.00 2.01 N ATOM 1283 CA ALA A 82 12.384 8.306 -4.164 1.00 2.67 C ATOM 1284 C ALA A 82 11.470 7.936 -5.329 1.00 3.02 C ATOM 1285 O ALA A 82 11.922 7.790 -6.465 1.00 3.10 O ATOM 1286 CB ALA A 82 13.197 9.546 -4.504 1.00 2.85 C ATOM 0 H ALA A 82 14.246 7.473 -3.673 1.00 2.01 H new ATOM 0 HA ALA A 82 11.753 8.519 -3.301 1.00 2.67 H new ATOM 0 HB1 ALA A 82 12.524 10.362 -4.768 1.00 2.85 H new ATOM 0 HB2 ALA A 82 13.797 9.835 -3.641 1.00 2.85 H new ATOM 0 HB3 ALA A 82 13.854 9.331 -5.347 1.00 2.85 H new ATOM 1292 N LEU A 83 10.179 7.794 -5.039 1.00 3.31 N ATOM 1293 CA LEU A 83 9.198 7.449 -6.062 1.00 3.73 C ATOM 1294 C LEU A 83 8.218 8.598 -6.277 1.00 4.31 C ATOM 1295 O LEU A 83 7.703 9.175 -5.319 1.00 4.31 O ATOM 1296 CB LEU A 83 8.435 6.182 -5.668 1.00 3.56 C ATOM 1297 CG LEU A 83 9.226 4.879 -5.796 1.00 3.51 C ATOM 1298 CD1 LEU A 83 8.320 3.680 -5.556 1.00 3.49 C ATOM 1299 CD2 LEU A 83 9.885 4.787 -7.165 1.00 3.60 C ATOM 0 H LEU A 83 9.789 7.913 -4.104 1.00 3.31 H new ATOM 0 HA LEU A 83 9.732 7.264 -6.994 1.00 3.73 H new ATOM 0 HB2 LEU A 83 8.100 6.285 -4.636 1.00 3.56 H new ATOM 0 HB3 LEU A 83 7.541 6.108 -6.287 1.00 3.56 H new ATOM 0 HG LEU A 83 10.009 4.875 -5.038 1.00 3.51 H new ATOM 0 HD11 LEU A 83 8.899 2.762 -5.651 1.00 3.49 H new ATOM 0 HD12 LEU A 83 7.896 3.739 -4.554 1.00 3.49 H new ATOM 0 HD13 LEU A 83 7.515 3.679 -6.291 1.00 3.49 H new ATOM 0 HD21 LEU A 83 10.443 3.854 -7.238 1.00 3.60 H new ATOM 0 HD22 LEU A 83 9.119 4.813 -7.940 1.00 3.60 H new ATOM 0 HD23 LEU A 83 10.565 5.628 -7.299 1.00 3.60 H new