USER MOD reduce.3.24.130724 H: found=0, std=0, add=953, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 957 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 109 MET CE :methyl 144:sc= -3.65! (180deg=-7.37!) USER MOD Set 1.2: A 145 MET CE :methyl -116:sc= -3.22! (180deg=-9.46!) USER MOD Set 2.1: A 99 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 137 ASN : amide:sc= -1.5 K(o=-1.5,f=-5.4!) USER MOD Set 3.1: A 36 MET CE :methyl 139:sc= -2.55! (180deg=-5.53!) USER MOD Set 3.2: A 72 MET CE :methyl 143:sc= -0.0561 (180deg=-0.349) USER MOD Set 4.1: A 26 THR OG1 : rot -147:sc= 1.03 USER MOD Set 4.2: A 62 THR OG1 : rot 138:sc= 1.22 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 13 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0522) USER MOD Single : A 17 SER OG : rot 104:sc= 0.392 USER MOD Single : A 28 THR OG1 : rot -108:sc= -0.0599 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0158 USER MOD Single : A 30 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000705) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0845 USER MOD Single : A 38 SER OG : rot -37:sc= 0.127 USER MOD Single : A 41 GLN : amide:sc= -0.0222 X(o=-0.022,f=0) USER MOD Single : A 42 ASN : amide:sc= -0.541 K(o=-0.54,f=-1.3!) USER MOD Single : A 44 THR OG1 : rot 172:sc= 0.781 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl 150:sc= -5.15! (180deg=-6.01!) USER MOD Single : A 53 ASN : amide:sc=-0.00313 X(o=-0.0031,f=-0.029) USER MOD Single : A 70 THR OG1 : rot 10:sc= 0.759 USER MOD Single : A 71 MET CE :methyl -160:sc= -5.35! (180deg=-6.06!) USER MOD Single : A 81 SER OG : rot 26:sc= 0.416 USER MOD Single : A 94 LYS NZ :NH3+ 142:sc= -1.06 (180deg=-3.72!) USER MOD Single : A 97 ASN : amide:sc= -0.306 X(o=-0.31,f=0) USER MOD Single : A 101 SER OG : rot 123:sc= 0.129 USER MOD Single : A 107 HIS : no HD1:sc= -0.953 K(o=-0.95,f=0.28) USER MOD Single : A 110 THR OG1 : rot 124:sc= 0.648 USER MOD Single : A 111 ASN : amide:sc= 0.899 K(o=0.9,f=-0.026) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.0036 USER MOD Single : A 124 MET CE :methyl -136:sc= -4.21! (180deg=-6.63!) USER MOD Single : A 135 GLN : amide:sc= -1.84 K(o=-1.8,f=0) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.465 K(o=-0.47,f=-7.5!) USER MOD Single : A 144 MET CE :methyl -152:sc= -1.32 (180deg=-3.79) USER MOD Single : A 146 THR OG1 : rot 180:sc= 0 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 90 N GLU A 7 -6.096 12.456 -12.573 1.00 3.51 N ATOM 91 CA GLU A 7 -7.477 12.800 -12.220 1.00 3.59 C ATOM 92 C GLU A 7 -7.797 12.587 -10.743 1.00 3.35 C ATOM 93 O GLU A 7 -8.766 13.166 -10.244 1.00 3.38 O ATOM 94 CB GLU A 7 -8.469 12.020 -13.089 1.00 3.93 C ATOM 95 CG GLU A 7 -8.543 12.507 -14.529 1.00 4.45 C ATOM 96 CD GLU A 7 -9.534 11.718 -15.361 1.00 5.14 C ATOM 97 OE1 GLU A 7 -9.127 10.703 -15.966 1.00 5.54 O ATOM 98 OE2 GLU A 7 -10.718 12.113 -15.408 1.00 5.58 O ATOM 0 HA GLU A 7 -7.579 13.868 -12.413 1.00 3.59 H new ATOM 0 HB2 GLU A 7 -8.189 10.966 -13.086 1.00 3.93 H new ATOM 0 HB3 GLU A 7 -9.461 12.088 -12.641 1.00 3.93 H new ATOM 0 HG2 GLU A 7 -8.824 13.560 -14.538 1.00 4.45 H new ATOM 0 HG3 GLU A 7 -7.555 12.436 -14.984 1.00 4.45 H new ATOM 105 N GLN A 8 -7.007 11.757 -10.038 1.00 3.16 N ATOM 106 CA GLN A 8 -7.228 11.545 -8.605 1.00 2.96 C ATOM 107 C GLN A 8 -6.999 12.838 -7.862 1.00 2.69 C ATOM 108 O GLN A 8 -7.669 13.121 -6.874 1.00 2.63 O ATOM 109 CB GLN A 8 -6.355 10.419 -8.046 1.00 2.87 C ATOM 110 CG GLN A 8 -7.028 9.056 -8.074 1.00 3.23 C ATOM 111 CD GLN A 8 -6.251 8.005 -7.304 1.00 3.13 C ATOM 112 OE1 GLN A 8 -6.462 7.815 -6.107 1.00 3.27 O ATOM 113 NE2 GLN A 8 -5.347 7.317 -7.989 1.00 3.29 N ATOM 0 H GLN A 8 -6.225 11.233 -10.432 1.00 3.16 H new ATOM 0 HA GLN A 8 -8.262 11.230 -8.463 1.00 2.96 H new ATOM 0 HB2 GLN A 8 -5.429 10.370 -8.619 1.00 2.87 H new ATOM 0 HB3 GLN A 8 -6.081 10.659 -7.019 1.00 2.87 H new ATOM 0 HG2 GLN A 8 -8.030 9.141 -7.654 1.00 3.23 H new ATOM 0 HG3 GLN A 8 -7.142 8.733 -9.109 1.00 3.23 H new ATOM 0 HE21 GLN A 8 -5.205 7.508 -8.981 1.00 3.29 H new ATOM 0 HE22 GLN A 8 -4.794 6.597 -7.524 1.00 3.29 H new ATOM 122 N ILE A 9 -6.037 13.610 -8.360 1.00 2.59 N ATOM 123 CA ILE A 9 -5.751 14.938 -7.858 1.00 2.41 C ATOM 124 C ILE A 9 -7.017 15.782 -7.971 1.00 2.64 C ATOM 125 O ILE A 9 -7.371 16.499 -7.036 1.00 2.55 O ATOM 126 CB ILE A 9 -4.575 15.544 -8.652 1.00 2.42 C ATOM 127 CG1 ILE A 9 -3.278 14.917 -8.144 1.00 2.20 C ATOM 128 CG2 ILE A 9 -4.553 17.067 -8.585 1.00 2.45 C ATOM 129 CD1 ILE A 9 -2.868 13.697 -8.932 1.00 2.35 C ATOM 0 H ILE A 9 -5.433 13.323 -9.130 1.00 2.59 H new ATOM 0 HA ILE A 9 -5.454 14.906 -6.810 1.00 2.41 H new ATOM 0 HB ILE A 9 -4.695 15.312 -9.710 1.00 2.42 H new ATOM 0 HG12 ILE A 9 -2.480 15.658 -8.190 1.00 2.20 H new ATOM 0 HG13 ILE A 9 -3.399 14.643 -7.096 1.00 2.20 H new ATOM 0 HG21 ILE A 9 -3.707 17.444 -9.159 1.00 2.45 H new ATOM 0 HG22 ILE A 9 -5.479 17.463 -9.001 1.00 2.45 H new ATOM 0 HG23 ILE A 9 -4.457 17.384 -7.547 1.00 2.45 H new ATOM 0 HD11 ILE A 9 -1.940 13.296 -8.525 1.00 2.35 H new ATOM 0 HD12 ILE A 9 -3.650 12.941 -8.865 1.00 2.35 H new ATOM 0 HD13 ILE A 9 -2.717 13.972 -9.976 1.00 2.35 H new ATOM 141 N ALA A 10 -7.690 15.678 -9.138 1.00 2.97 N ATOM 142 CA ALA A 10 -8.976 16.351 -9.361 1.00 3.26 C ATOM 143 C ALA A 10 -9.986 15.930 -8.298 1.00 3.27 C ATOM 144 O ALA A 10 -10.890 16.694 -7.946 1.00 3.43 O ATOM 145 CB ALA A 10 -9.505 16.069 -10.759 1.00 3.61 C ATOM 0 H ALA A 10 -7.360 15.134 -9.935 1.00 2.97 H new ATOM 0 HA ALA A 10 -8.819 17.427 -9.279 1.00 3.26 H new ATOM 0 HB1 ALA A 10 -10.458 16.579 -10.897 1.00 3.61 H new ATOM 0 HB2 ALA A 10 -8.790 16.430 -11.498 1.00 3.61 H new ATOM 0 HB3 ALA A 10 -9.647 14.996 -10.885 1.00 3.61 H new ATOM 151 N GLU A 11 -9.813 14.699 -7.796 1.00 3.14 N ATOM 152 CA GLU A 11 -10.646 14.171 -6.714 1.00 3.18 C ATOM 153 C GLU A 11 -10.097 14.630 -5.375 1.00 2.87 C ATOM 154 O GLU A 11 -10.823 14.720 -4.382 1.00 2.94 O ATOM 155 CB GLU A 11 -10.670 12.648 -6.732 1.00 3.24 C ATOM 156 CG GLU A 11 -11.299 12.039 -7.979 1.00 3.63 C ATOM 157 CD GLU A 11 -11.302 10.523 -7.950 1.00 3.78 C ATOM 158 OE1 GLU A 11 -12.286 9.941 -7.447 1.00 4.13 O ATOM 159 OE2 GLU A 11 -10.321 9.918 -8.431 1.00 3.90 O ATOM 0 H GLU A 11 -9.099 14.050 -8.126 1.00 3.14 H new ATOM 0 HA GLU A 11 -11.660 14.544 -6.859 1.00 3.18 H new ATOM 0 HB2 GLU A 11 -9.648 12.280 -6.640 1.00 3.24 H new ATOM 0 HB3 GLU A 11 -11.216 12.296 -5.857 1.00 3.24 H new ATOM 0 HG2 GLU A 11 -12.323 12.399 -8.077 1.00 3.63 H new ATOM 0 HG3 GLU A 11 -10.755 12.381 -8.860 1.00 3.63 H new ATOM 166 N PHE A 12 -8.792 14.892 -5.368 1.00 2.56 N ATOM 167 CA PHE A 12 -8.093 15.361 -4.181 1.00 2.24 C ATOM 168 C PHE A 12 -8.410 16.835 -3.886 1.00 2.30 C ATOM 169 O PHE A 12 -8.493 17.221 -2.716 1.00 2.22 O ATOM 170 CB PHE A 12 -6.577 15.173 -4.344 1.00 1.94 C ATOM 171 CG PHE A 12 -6.074 13.739 -4.231 1.00 1.85 C ATOM 172 CD1 PHE A 12 -4.707 13.485 -4.207 1.00 2.28 C ATOM 173 CD2 PHE A 12 -6.942 12.652 -4.115 1.00 2.07 C ATOM 174 CE1 PHE A 12 -4.224 12.198 -4.065 1.00 2.34 C ATOM 175 CE2 PHE A 12 -6.454 11.372 -3.985 1.00 2.03 C ATOM 176 CZ PHE A 12 -5.108 11.140 -3.955 1.00 1.90 C ATOM 0 H PHE A 12 -8.192 14.784 -6.186 1.00 2.56 H new ATOM 0 HA PHE A 12 -8.440 14.765 -3.337 1.00 2.24 H new ATOM 0 HB2 PHE A 12 -6.283 15.566 -5.317 1.00 1.94 H new ATOM 0 HB3 PHE A 12 -6.071 15.777 -3.590 1.00 1.94 H new ATOM 0 HD1 PHE A 12 -4.012 14.306 -4.301 1.00 2.28 H new ATOM 0 HD2 PHE A 12 -8.009 12.818 -4.127 1.00 2.07 H new ATOM 0 HE1 PHE A 12 -3.159 12.019 -4.040 1.00 2.34 H new ATOM 0 HE2 PHE A 12 -7.142 10.543 -3.906 1.00 2.03 H new ATOM 0 HZ PHE A 12 -4.735 10.132 -3.846 1.00 1.90 H new ATOM 186 N LYS A 13 -8.588 17.660 -4.947 1.00 2.51 N ATOM 187 CA LYS A 13 -8.902 19.090 -4.760 1.00 2.67 C ATOM 188 C LYS A 13 -10.370 19.333 -4.432 1.00 2.96 C ATOM 189 O LYS A 13 -10.693 20.366 -3.849 1.00 3.07 O ATOM 190 CB LYS A 13 -8.474 19.969 -5.953 1.00 2.86 C ATOM 191 CG LYS A 13 -8.649 19.343 -7.340 1.00 3.04 C ATOM 192 CD LYS A 13 -7.315 19.251 -8.089 1.00 2.93 C ATOM 193 CE LYS A 13 -6.875 20.590 -8.686 1.00 3.15 C ATOM 194 NZ LYS A 13 -7.718 20.991 -9.848 1.00 3.58 N ATOM 0 H LYS A 13 -8.520 17.364 -5.921 1.00 2.51 H new ATOM 0 HA LYS A 13 -8.307 19.391 -3.898 1.00 2.67 H new ATOM 0 HB2 LYS A 13 -9.045 20.897 -5.919 1.00 2.86 H new ATOM 0 HB3 LYS A 13 -7.425 20.236 -5.825 1.00 2.86 H new ATOM 0 HG2 LYS A 13 -9.080 18.347 -7.239 1.00 3.04 H new ATOM 0 HG3 LYS A 13 -9.354 19.937 -7.922 1.00 3.04 H new ATOM 0 HD2 LYS A 13 -6.545 18.892 -7.406 1.00 2.93 H new ATOM 0 HD3 LYS A 13 -7.402 18.514 -8.887 1.00 2.93 H new ATOM 0 HE2 LYS A 13 -6.926 21.362 -7.919 1.00 3.15 H new ATOM 0 HE3 LYS A 13 -5.834 20.521 -9.001 1.00 3.15 H new ATOM 0 HZ1 LYS A 13 -7.295 21.819 -10.314 1.00 3.58 H new ATOM 0 HZ2 LYS A 13 -7.773 20.203 -10.525 1.00 3.58 H new ATOM 0 HZ3 LYS A 13 -8.674 21.231 -9.517 1.00 3.58 H new ATOM 208 N GLU A 14 -11.266 18.400 -4.799 1.00 3.12 N ATOM 209 CA GLU A 14 -12.689 18.567 -4.466 1.00 3.43 C ATOM 210 C GLU A 14 -12.914 18.362 -2.954 1.00 3.34 C ATOM 211 O GLU A 14 -13.869 18.894 -2.380 1.00 3.56 O ATOM 212 CB GLU A 14 -13.585 17.624 -5.304 1.00 3.67 C ATOM 213 CG GLU A 14 -13.338 16.131 -5.101 1.00 4.07 C ATOM 214 CD GLU A 14 -14.067 15.276 -6.119 1.00 4.36 C ATOM 215 OE1 GLU A 14 -13.506 15.044 -7.210 1.00 4.71 O ATOM 216 OE2 GLU A 14 -15.198 14.837 -5.824 1.00 4.52 O ATOM 0 H GLU A 14 -11.039 17.547 -5.311 1.00 3.12 H new ATOM 0 HA GLU A 14 -12.978 19.587 -4.719 1.00 3.43 H new ATOM 0 HB2 GLU A 14 -14.628 17.837 -5.068 1.00 3.67 H new ATOM 0 HB3 GLU A 14 -13.442 17.858 -6.359 1.00 3.67 H new ATOM 0 HG2 GLU A 14 -12.268 15.932 -5.164 1.00 4.07 H new ATOM 0 HG3 GLU A 14 -13.657 15.847 -4.098 1.00 4.07 H new ATOM 223 N ALA A 15 -12.011 17.582 -2.335 1.00 3.04 N ATOM 224 CA ALA A 15 -12.064 17.284 -0.902 1.00 2.97 C ATOM 225 C ALA A 15 -11.320 18.315 -0.058 1.00 2.76 C ATOM 226 O ALA A 15 -11.920 18.958 0.800 1.00 2.91 O ATOM 227 CB ALA A 15 -11.515 15.879 -0.630 1.00 2.84 C ATOM 0 H ALA A 15 -11.227 17.143 -2.817 1.00 3.04 H new ATOM 0 HA ALA A 15 -13.112 17.329 -0.607 1.00 2.97 H new ATOM 0 HB1 ALA A 15 -11.561 15.671 0.439 1.00 2.84 H new ATOM 0 HB2 ALA A 15 -12.113 15.144 -1.168 1.00 2.84 H new ATOM 0 HB3 ALA A 15 -10.480 15.821 -0.967 1.00 2.84 H new ATOM 233 N PHE A 16 -10.005 18.456 -0.295 1.00 2.45 N ATOM 234 CA PHE A 16 -9.162 19.412 0.443 1.00 2.28 C ATOM 235 C PHE A 16 -9.799 20.797 0.469 1.00 2.56 C ATOM 236 O PHE A 16 -9.797 21.478 1.495 1.00 2.60 O ATOM 237 CB PHE A 16 -7.787 19.497 -0.226 1.00 2.02 C ATOM 238 CG PHE A 16 -6.717 20.253 0.537 1.00 1.86 C ATOM 239 CD1 PHE A 16 -5.604 19.578 1.019 1.00 2.18 C ATOM 240 CD2 PHE A 16 -6.801 21.632 0.737 1.00 2.17 C ATOM 241 CE1 PHE A 16 -4.604 20.242 1.682 1.00 2.21 C ATOM 242 CE2 PHE A 16 -5.793 22.300 1.413 1.00 2.07 C ATOM 243 CZ PHE A 16 -4.696 21.597 1.883 1.00 1.79 C ATOM 0 H PHE A 16 -9.500 17.916 -0.997 1.00 2.45 H new ATOM 0 HA PHE A 16 -9.059 19.061 1.470 1.00 2.28 H new ATOM 0 HB2 PHE A 16 -7.429 18.483 -0.404 1.00 2.02 H new ATOM 0 HB3 PHE A 16 -7.909 19.967 -1.202 1.00 2.02 H new ATOM 0 HD1 PHE A 16 -5.524 18.511 0.869 1.00 2.18 H new ATOM 0 HD2 PHE A 16 -7.654 22.179 0.364 1.00 2.17 H new ATOM 0 HE1 PHE A 16 -3.744 19.699 2.046 1.00 2.21 H new ATOM 0 HE2 PHE A 16 -5.862 23.366 1.573 1.00 2.07 H new ATOM 0 HZ PHE A 16 -3.910 22.117 2.410 1.00 1.79 H new ATOM 253 N SER A 17 -10.356 21.185 -0.674 1.00 2.80 N ATOM 254 CA SER A 17 -10.982 22.475 -0.828 1.00 3.11 C ATOM 255 C SER A 17 -12.288 22.598 -0.058 1.00 3.36 C ATOM 256 O SER A 17 -12.754 23.714 0.187 1.00 3.59 O ATOM 257 CB SER A 17 -11.213 22.788 -2.301 1.00 3.33 C ATOM 258 OG SER A 17 -9.986 22.978 -2.984 1.00 3.30 O ATOM 0 H SER A 17 -10.381 20.607 -1.514 1.00 2.80 H new ATOM 0 HA SER A 17 -10.291 23.204 -0.404 1.00 3.11 H new ATOM 0 HB2 SER A 17 -11.768 21.973 -2.766 1.00 3.33 H new ATOM 0 HB3 SER A 17 -11.826 23.685 -2.393 1.00 3.33 H new ATOM 0 HG SER A 17 -9.788 22.186 -3.527 1.00 3.30 H new ATOM 264 N LEU A 18 -12.896 21.459 0.316 1.00 3.35 N ATOM 265 CA LEU A 18 -14.141 21.493 1.062 1.00 3.63 C ATOM 266 C LEU A 18 -13.886 22.000 2.478 1.00 3.56 C ATOM 267 O LEU A 18 -14.794 22.433 3.193 1.00 3.81 O ATOM 268 CB LEU A 18 -14.829 20.122 1.030 1.00 3.72 C ATOM 269 CG LEU A 18 -14.493 19.189 2.182 1.00 3.54 C ATOM 270 CD1 LEU A 18 -15.478 19.358 3.334 1.00 3.79 C ATOM 271 CD2 LEU A 18 -14.444 17.735 1.734 1.00 3.53 C ATOM 0 H LEU A 18 -12.544 20.524 0.113 1.00 3.35 H new ATOM 0 HA LEU A 18 -14.831 22.193 0.591 1.00 3.63 H new ATOM 0 HB2 LEU A 18 -15.908 20.278 1.015 1.00 3.72 H new ATOM 0 HB3 LEU A 18 -14.566 19.626 0.096 1.00 3.72 H new ATOM 0 HG LEU A 18 -13.499 19.464 2.535 1.00 3.54 H new ATOM 0 HD11 LEU A 18 -15.212 18.678 4.143 1.00 3.79 H new ATOM 0 HD12 LEU A 18 -15.441 20.385 3.697 1.00 3.79 H new ATOM 0 HD13 LEU A 18 -16.486 19.132 2.987 1.00 3.79 H new ATOM 0 HD21 LEU A 18 -14.201 17.100 2.586 1.00 3.53 H new ATOM 0 HD22 LEU A 18 -15.414 17.446 1.331 1.00 3.53 H new ATOM 0 HD23 LEU A 18 -13.681 17.617 0.964 1.00 3.53 H new ATOM 283 N PHE A 19 -12.621 21.919 2.830 1.00 3.24 N ATOM 284 CA PHE A 19 -12.110 22.366 4.118 1.00 3.16 C ATOM 285 C PHE A 19 -11.147 23.533 3.899 1.00 3.11 C ATOM 286 O PHE A 19 -10.505 24.012 4.839 1.00 3.07 O ATOM 287 CB PHE A 19 -11.362 21.228 4.818 1.00 2.89 C ATOM 288 CG PHE A 19 -12.176 19.986 5.096 1.00 3.01 C ATOM 289 CD1 PHE A 19 -11.943 18.823 4.379 1.00 3.31 C ATOM 290 CD2 PHE A 19 -13.155 19.976 6.080 1.00 3.27 C ATOM 291 CE1 PHE A 19 -12.669 17.677 4.636 1.00 3.50 C ATOM 292 CE2 PHE A 19 -13.886 18.831 6.338 1.00 3.41 C ATOM 293 CZ PHE A 19 -13.641 17.679 5.616 1.00 3.37 C ATOM 0 H PHE A 19 -11.900 21.533 2.220 1.00 3.24 H new ATOM 0 HA PHE A 19 -12.948 22.679 4.741 1.00 3.16 H new ATOM 0 HB2 PHE A 19 -10.505 20.949 4.205 1.00 2.89 H new ATOM 0 HB3 PHE A 19 -10.969 21.603 5.763 1.00 2.89 H new ATOM 0 HD1 PHE A 19 -11.185 18.813 3.610 1.00 3.31 H new ATOM 0 HD2 PHE A 19 -13.348 20.873 6.650 1.00 3.27 H new ATOM 0 HE1 PHE A 19 -12.476 16.778 4.070 1.00 3.50 H new ATOM 0 HE2 PHE A 19 -14.648 18.837 7.103 1.00 3.41 H new ATOM 0 HZ PHE A 19 -14.208 16.782 5.818 1.00 3.37 H new ATOM 303 N ALA A 20 -11.066 23.985 2.634 1.00 3.18 N ATOM 304 CA ALA A 20 -10.150 25.083 2.225 1.00 3.22 C ATOM 305 C ALA A 20 -10.239 26.340 3.104 1.00 3.51 C ATOM 306 O ALA A 20 -11.331 26.830 3.406 1.00 3.80 O ATOM 307 CB ALA A 20 -10.390 25.466 0.772 1.00 3.38 C ATOM 0 H ALA A 20 -11.625 23.608 1.868 1.00 3.18 H new ATOM 0 HA ALA A 20 -9.145 24.682 2.355 1.00 3.22 H new ATOM 0 HB1 ALA A 20 -9.711 26.271 0.491 1.00 3.38 H new ATOM 0 HB2 ALA A 20 -10.212 24.601 0.133 1.00 3.38 H new ATOM 0 HB3 ALA A 20 -11.420 25.801 0.649 1.00 3.38 H new ATOM 354 N ASP A 24 -3.234 30.647 3.062 1.00 3.98 N ATOM 355 CA ASP A 24 -2.442 30.022 1.983 1.00 3.89 C ATOM 356 C ASP A 24 -3.260 28.967 1.225 1.00 3.62 C ATOM 357 O ASP A 24 -2.868 28.518 0.144 1.00 3.56 O ATOM 358 CB ASP A 24 -1.173 29.381 2.556 1.00 3.77 C ATOM 359 CG ASP A 24 -0.166 30.409 3.039 1.00 4.13 C ATOM 360 OD1 ASP A 24 -0.233 30.793 4.225 1.00 4.50 O ATOM 361 OD2 ASP A 24 0.688 30.828 2.230 1.00 4.32 O ATOM 0 HA ASP A 24 -2.164 30.808 1.280 1.00 3.89 H new ATOM 0 HB2 ASP A 24 -1.444 28.726 3.384 1.00 3.77 H new ATOM 0 HB3 ASP A 24 -0.710 28.755 1.793 1.00 3.77 H new ATOM 366 N GLY A 25 -4.399 28.592 1.820 1.00 3.50 N ATOM 367 CA GLY A 25 -5.304 27.615 1.231 1.00 3.30 C ATOM 368 C GLY A 25 -4.958 26.242 1.720 1.00 2.90 C ATOM 369 O GLY A 25 -4.690 25.324 0.938 1.00 2.69 O ATOM 0 H GLY A 25 -4.712 28.959 2.719 1.00 3.50 H new ATOM 0 HA2 GLY A 25 -6.334 27.855 1.494 1.00 3.30 H new ATOM 0 HA3 GLY A 25 -5.235 27.652 0.144 1.00 3.30 H new ATOM 373 N THR A 26 -4.975 26.130 3.046 1.00 2.85 N ATOM 374 CA THR A 26 -4.614 24.909 3.729 1.00 2.53 C ATOM 375 C THR A 26 -5.798 24.255 4.445 1.00 2.45 C ATOM 376 O THR A 26 -6.915 24.781 4.426 1.00 2.66 O ATOM 377 CB THR A 26 -3.507 25.177 4.757 1.00 2.59 C ATOM 378 OG1 THR A 26 -3.950 26.077 5.781 1.00 2.84 O ATOM 379 CG2 THR A 26 -2.297 25.730 4.071 1.00 2.74 C ATOM 0 H THR A 26 -5.242 26.891 3.671 1.00 2.85 H new ATOM 0 HA THR A 26 -4.264 24.222 2.958 1.00 2.53 H new ATOM 0 HB THR A 26 -3.251 24.230 5.233 1.00 2.59 H new ATOM 0 HG1 THR A 26 -3.196 26.626 6.082 1.00 2.84 H new ATOM 0 HG21 THR A 26 -1.515 25.918 4.807 1.00 2.74 H new ATOM 0 HG22 THR A 26 -1.937 25.012 3.334 1.00 2.74 H new ATOM 0 HG23 THR A 26 -2.557 26.663 3.571 1.00 2.74 H new ATOM 387 N ILE A 27 -5.529 23.098 5.080 1.00 2.21 N ATOM 388 CA ILE A 27 -6.550 22.347 5.836 1.00 2.22 C ATOM 389 C ILE A 27 -5.883 21.645 7.020 1.00 2.15 C ATOM 390 O ILE A 27 -4.707 21.860 7.275 1.00 2.13 O ATOM 391 CB ILE A 27 -7.356 21.317 4.973 1.00 2.13 C ATOM 392 CG1 ILE A 27 -6.443 20.195 4.454 1.00 1.82 C ATOM 393 CG2 ILE A 27 -8.098 22.024 3.840 1.00 2.31 C ATOM 394 CD1 ILE A 27 -7.195 18.994 3.916 1.00 1.79 C ATOM 0 H ILE A 27 -4.607 22.661 5.084 1.00 2.21 H new ATOM 0 HA ILE A 27 -7.285 23.074 6.182 1.00 2.22 H new ATOM 0 HB ILE A 27 -8.106 20.847 5.609 1.00 2.13 H new ATOM 0 HG12 ILE A 27 -5.804 20.594 3.666 1.00 1.82 H new ATOM 0 HG13 ILE A 27 -5.788 19.870 5.262 1.00 1.82 H new ATOM 0 HG21 ILE A 27 -8.651 21.290 3.254 1.00 2.31 H new ATOM 0 HG22 ILE A 27 -8.793 22.752 4.259 1.00 2.31 H new ATOM 0 HG23 ILE A 27 -7.380 22.535 3.198 1.00 2.31 H new ATOM 0 HD11 ILE A 27 -6.483 18.245 3.568 1.00 1.79 H new ATOM 0 HD12 ILE A 27 -7.813 18.568 4.706 1.00 1.79 H new ATOM 0 HD13 ILE A 27 -7.830 19.304 3.086 1.00 1.79 H new ATOM 406 N THR A 28 -6.637 20.839 7.752 1.00 2.23 N ATOM 407 CA THR A 28 -6.090 20.118 8.902 1.00 2.29 C ATOM 408 C THR A 28 -5.859 18.651 8.532 1.00 2.17 C ATOM 409 O THR A 28 -6.013 18.270 7.366 1.00 2.04 O ATOM 410 CB THR A 28 -6.990 20.249 10.163 1.00 2.57 C ATOM 411 OG1 THR A 28 -8.237 19.568 9.968 1.00 2.86 O ATOM 412 CG2 THR A 28 -7.265 21.711 10.513 1.00 3.10 C ATOM 0 H THR A 28 -7.626 20.665 7.575 1.00 2.23 H new ATOM 0 HA THR A 28 -5.134 20.573 9.160 1.00 2.29 H new ATOM 0 HB THR A 28 -6.448 19.791 10.990 1.00 2.57 H new ATOM 0 HG1 THR A 28 -8.956 20.226 9.861 1.00 2.86 H new ATOM 0 HG21 THR A 28 -7.897 21.760 11.400 1.00 3.10 H new ATOM 0 HG22 THR A 28 -6.322 22.221 10.711 1.00 3.10 H new ATOM 0 HG23 THR A 28 -7.772 22.196 9.679 1.00 3.10 H new ATOM 420 N THR A 29 -5.491 17.835 9.520 1.00 2.30 N ATOM 421 CA THR A 29 -5.174 16.430 9.277 1.00 2.30 C ATOM 422 C THR A 29 -6.368 15.484 9.338 1.00 2.50 C ATOM 423 O THR A 29 -6.544 14.656 8.440 1.00 2.44 O ATOM 424 CB THR A 29 -4.097 15.943 10.225 1.00 2.48 C ATOM 425 OG1 THR A 29 -4.375 16.351 11.572 1.00 2.75 O ATOM 426 CG2 THR A 29 -2.768 16.493 9.762 1.00 2.32 C ATOM 0 H THR A 29 -5.406 18.124 10.495 1.00 2.30 H new ATOM 0 HA THR A 29 -4.816 16.405 8.248 1.00 2.30 H new ATOM 0 HB THR A 29 -4.069 14.853 10.217 1.00 2.48 H new ATOM 0 HG1 THR A 29 -3.667 16.024 12.166 1.00 2.75 H new ATOM 0 HG21 THR A 29 -1.980 16.153 10.433 1.00 2.32 H new ATOM 0 HG22 THR A 29 -2.561 16.141 8.751 1.00 2.32 H new ATOM 0 HG23 THR A 29 -2.803 17.582 9.767 1.00 2.32 H new ATOM 434 N LYS A 30 -7.174 15.589 10.400 1.00 2.77 N ATOM 435 CA LYS A 30 -8.362 14.727 10.577 1.00 3.04 C ATOM 436 C LYS A 30 -9.300 14.780 9.356 1.00 2.98 C ATOM 437 O LYS A 30 -9.891 13.767 8.971 1.00 3.14 O ATOM 438 CB LYS A 30 -9.133 15.094 11.867 1.00 3.33 C ATOM 439 CG LYS A 30 -9.479 16.580 12.027 1.00 3.42 C ATOM 440 CD LYS A 30 -8.482 17.296 12.929 1.00 3.38 C ATOM 441 CE LYS A 30 -8.833 18.767 13.102 1.00 3.68 C ATOM 442 NZ LYS A 30 -10.017 18.963 13.987 1.00 3.70 N ATOM 0 H LYS A 30 -7.031 16.261 11.154 1.00 2.77 H new ATOM 0 HA LYS A 30 -7.998 13.704 10.671 1.00 3.04 H new ATOM 0 HB2 LYS A 30 -10.058 14.518 11.893 1.00 3.33 H new ATOM 0 HB3 LYS A 30 -8.539 14.782 12.726 1.00 3.33 H new ATOM 0 HG2 LYS A 30 -9.492 17.058 11.048 1.00 3.42 H new ATOM 0 HG3 LYS A 30 -10.482 16.678 12.443 1.00 3.42 H new ATOM 0 HD2 LYS A 30 -8.460 16.810 13.905 1.00 3.38 H new ATOM 0 HD3 LYS A 30 -7.481 17.208 12.507 1.00 3.38 H new ATOM 0 HE2 LYS A 30 -7.977 19.296 13.521 1.00 3.68 H new ATOM 0 HE3 LYS A 30 -9.034 19.208 12.126 1.00 3.68 H new ATOM 0 HZ1 LYS A 30 -10.209 19.980 14.090 1.00 3.70 H new ATOM 0 HZ2 LYS A 30 -10.845 18.495 13.567 1.00 3.70 H new ATOM 0 HZ3 LYS A 30 -9.823 18.551 14.922 1.00 3.70 H new ATOM 456 N GLU A 31 -9.414 15.974 8.769 1.00 2.81 N ATOM 457 CA GLU A 31 -10.263 16.208 7.596 1.00 2.81 C ATOM 458 C GLU A 31 -9.527 15.978 6.267 1.00 2.52 C ATOM 459 O GLU A 31 -10.182 15.903 5.222 1.00 2.57 O ATOM 460 CB GLU A 31 -10.839 17.631 7.645 1.00 2.89 C ATOM 461 CG GLU A 31 -11.762 17.882 8.835 1.00 3.24 C ATOM 462 CD GLU A 31 -11.944 19.357 9.146 1.00 3.22 C ATOM 463 OE1 GLU A 31 -13.089 19.847 9.050 1.00 3.26 O ATOM 464 OE2 GLU A 31 -10.943 20.022 9.492 1.00 3.60 O ATOM 0 H GLU A 31 -8.921 16.806 9.093 1.00 2.81 H new ATOM 0 HA GLU A 31 -11.071 15.478 7.635 1.00 2.81 H new ATOM 0 HB2 GLU A 31 -10.016 18.345 7.679 1.00 2.89 H new ATOM 0 HB3 GLU A 31 -11.389 17.822 6.724 1.00 2.89 H new ATOM 0 HG2 GLU A 31 -12.736 17.437 8.632 1.00 3.24 H new ATOM 0 HG3 GLU A 31 -11.358 17.379 9.713 1.00 3.24 H new ATOM 471 N LEU A 32 -8.177 15.860 6.285 1.00 2.26 N ATOM 472 CA LEU A 32 -7.430 15.640 5.032 1.00 1.98 C ATOM 473 C LEU A 32 -7.525 14.210 4.556 1.00 2.07 C ATOM 474 O LEU A 32 -7.539 13.953 3.358 1.00 1.98 O ATOM 475 CB LEU A 32 -5.971 16.086 5.098 1.00 1.69 C ATOM 476 CG LEU A 32 -4.999 15.427 6.082 1.00 1.74 C ATOM 477 CD1 LEU A 32 -4.470 14.077 5.607 1.00 1.76 C ATOM 478 CD2 LEU A 32 -3.852 16.366 6.215 1.00 1.59 C ATOM 0 H LEU A 32 -7.602 15.912 7.126 1.00 2.26 H new ATOM 0 HA LEU A 32 -7.920 16.282 4.300 1.00 1.98 H new ATOM 0 HB2 LEU A 32 -5.551 15.962 4.100 1.00 1.69 H new ATOM 0 HB3 LEU A 32 -5.971 17.155 5.313 1.00 1.69 H new ATOM 0 HG LEU A 32 -5.523 15.236 7.019 1.00 1.74 H new ATOM 0 HD11 LEU A 32 -3.788 13.670 6.354 1.00 1.76 H new ATOM 0 HD12 LEU A 32 -5.304 13.389 5.464 1.00 1.76 H new ATOM 0 HD13 LEU A 32 -3.940 14.206 4.663 1.00 1.76 H new ATOM 0 HD21 LEU A 32 -3.120 15.951 6.908 1.00 1.59 H new ATOM 0 HD22 LEU A 32 -3.387 16.512 5.240 1.00 1.59 H new ATOM 0 HD23 LEU A 32 -4.208 17.324 6.595 1.00 1.59 H new ATOM 490 N GLY A 33 -7.535 13.280 5.502 1.00 2.31 N ATOM 491 CA GLY A 33 -7.707 11.878 5.154 1.00 2.52 C ATOM 492 C GLY A 33 -9.062 11.653 4.550 1.00 2.75 C ATOM 493 O GLY A 33 -9.305 10.636 3.913 1.00 2.91 O ATOM 0 H GLY A 33 -7.428 13.467 6.499 1.00 2.31 H new ATOM 0 HA2 GLY A 33 -6.933 11.574 4.450 1.00 2.52 H new ATOM 0 HA3 GLY A 33 -7.591 11.259 6.043 1.00 2.52 H new ATOM 497 N THR A 34 -9.958 12.621 4.802 1.00 2.81 N ATOM 498 CA THR A 34 -11.292 12.619 4.236 1.00 3.07 C ATOM 499 C THR A 34 -11.177 12.881 2.747 1.00 2.93 C ATOM 500 O THR A 34 -12.090 12.629 1.955 1.00 3.16 O ATOM 501 CB THR A 34 -12.248 13.620 4.937 1.00 3.23 C ATOM 502 OG1 THR A 34 -12.029 13.592 6.354 1.00 3.30 O ATOM 503 CG2 THR A 34 -13.714 13.291 4.657 1.00 3.60 C ATOM 0 H THR A 34 -9.766 13.421 5.405 1.00 2.81 H new ATOM 0 HA THR A 34 -11.745 11.642 4.403 1.00 3.07 H new ATOM 0 HB THR A 34 -12.033 14.612 4.539 1.00 3.23 H new ATOM 0 HG1 THR A 34 -12.634 14.227 6.791 1.00 3.30 H new ATOM 0 HG21 THR A 34 -14.353 14.014 5.165 1.00 3.60 H new ATOM 0 HG22 THR A 34 -13.898 13.335 3.584 1.00 3.60 H new ATOM 0 HG23 THR A 34 -13.938 12.289 5.023 1.00 3.60 H new ATOM 511 N VAL A 35 -10.006 13.400 2.426 1.00 2.56 N ATOM 512 CA VAL A 35 -9.578 13.637 1.052 1.00 2.39 C ATOM 513 C VAL A 35 -9.119 12.295 0.536 1.00 2.44 C ATOM 514 O VAL A 35 -9.342 11.972 -0.625 1.00 2.53 O ATOM 515 CB VAL A 35 -8.370 14.626 0.873 1.00 2.01 C ATOM 516 CG1 VAL A 35 -7.906 14.680 -0.583 1.00 1.92 C ATOM 517 CG2 VAL A 35 -8.682 16.035 1.328 1.00 2.02 C ATOM 0 H VAL A 35 -9.312 13.674 3.121 1.00 2.56 H new ATOM 0 HA VAL A 35 -10.418 14.092 0.528 1.00 2.39 H new ATOM 0 HB VAL A 35 -7.578 14.228 1.507 1.00 2.01 H new ATOM 0 HG11 VAL A 35 -7.069 15.373 -0.673 1.00 1.92 H new ATOM 0 HG12 VAL A 35 -7.590 13.687 -0.901 1.00 1.92 H new ATOM 0 HG13 VAL A 35 -8.727 15.019 -1.214 1.00 1.92 H new ATOM 0 HG21 VAL A 35 -7.807 16.668 1.178 1.00 2.02 H new ATOM 0 HG22 VAL A 35 -9.518 16.428 0.749 1.00 2.02 H new ATOM 0 HG23 VAL A 35 -8.946 16.026 2.385 1.00 2.02 H new ATOM 527 N MET A 36 -8.472 11.513 1.429 1.00 2.44 N ATOM 528 CA MET A 36 -7.968 10.218 1.038 1.00 2.55 C ATOM 529 C MET A 36 -9.055 9.136 1.076 1.00 2.97 C ATOM 530 O MET A 36 -9.138 8.308 0.165 1.00 3.11 O ATOM 531 CB MET A 36 -6.794 9.811 1.927 1.00 2.49 C ATOM 532 CG MET A 36 -5.659 9.123 1.181 1.00 2.24 C ATOM 533 SD MET A 36 -4.328 8.577 2.274 1.00 2.48 S ATOM 534 CE MET A 36 -3.409 10.101 2.506 1.00 1.96 C ATOM 0 H MET A 36 -8.299 11.767 2.402 1.00 2.44 H new ATOM 0 HA MET A 36 -7.628 10.306 0.006 1.00 2.55 H new ATOM 0 HB2 MET A 36 -6.403 10.699 2.423 1.00 2.49 H new ATOM 0 HB3 MET A 36 -7.158 9.144 2.708 1.00 2.49 H new ATOM 0 HG2 MET A 36 -6.055 8.263 0.641 1.00 2.24 H new ATOM 0 HG3 MET A 36 -5.253 9.808 0.436 1.00 2.24 H new ATOM 0 HE1 MET A 36 -3.101 10.185 3.548 1.00 1.96 H new ATOM 0 HE2 MET A 36 -2.527 10.095 1.866 1.00 1.96 H new ATOM 0 HE3 MET A 36 -4.041 10.950 2.245 1.00 1.96 H new ATOM 544 N ARG A 37 -9.907 9.174 2.122 1.00 3.18 N ATOM 545 CA ARG A 37 -10.951 8.171 2.333 1.00 3.60 C ATOM 546 C ARG A 37 -12.063 8.223 1.276 1.00 3.77 C ATOM 547 O ARG A 37 -12.819 7.261 1.112 1.00 4.10 O ATOM 548 CB ARG A 37 -11.587 8.378 3.714 1.00 3.78 C ATOM 549 CG ARG A 37 -11.219 7.326 4.754 1.00 4.18 C ATOM 550 CD ARG A 37 -12.119 6.092 4.672 1.00 4.52 C ATOM 551 NE ARG A 37 -13.505 6.384 5.067 1.00 4.90 N ATOM 552 CZ ARG A 37 -14.480 5.468 5.163 1.00 5.36 C ATOM 553 NH1 ARG A 37 -14.248 4.184 4.898 1.00 5.45 N ATOM 554 NH2 ARG A 37 -15.698 5.845 5.530 1.00 5.91 N ATOM 0 H ARG A 37 -9.884 9.901 2.837 1.00 3.18 H new ATOM 0 HA ARG A 37 -10.466 7.198 2.256 1.00 3.60 H new ATOM 0 HB2 ARG A 37 -11.293 9.358 4.090 1.00 3.78 H new ATOM 0 HB3 ARG A 37 -12.671 8.392 3.600 1.00 3.78 H new ATOM 0 HG2 ARG A 37 -10.181 7.026 4.613 1.00 4.18 H new ATOM 0 HG3 ARG A 37 -11.293 7.762 5.750 1.00 4.18 H new ATOM 0 HD2 ARG A 37 -12.108 5.704 3.653 1.00 4.52 H new ATOM 0 HD3 ARG A 37 -11.718 5.309 5.315 1.00 4.52 H new ATOM 0 HE ARG A 37 -13.742 7.352 5.283 1.00 4.90 H new ATOM 0 HH11 ARG A 37 -13.315 3.882 4.616 1.00 5.45 H new ATOM 0 HH12 ARG A 37 -15.003 3.503 4.977 1.00 5.45 H new ATOM 0 HH21 ARG A 37 -15.888 6.826 5.737 1.00 5.91 H new ATOM 0 HH22 ARG A 37 -16.445 5.154 5.605 1.00 5.91 H new ATOM 568 N SER A 38 -12.144 9.355 0.574 1.00 3.57 N ATOM 569 CA SER A 38 -13.176 9.592 -0.448 1.00 3.76 C ATOM 570 C SER A 38 -12.910 8.845 -1.764 1.00 3.81 C ATOM 571 O SER A 38 -13.802 8.762 -2.615 1.00 4.08 O ATOM 572 CB SER A 38 -13.295 11.095 -0.720 1.00 3.59 C ATOM 573 OG SER A 38 -14.442 11.391 -1.500 1.00 3.89 O ATOM 0 H SER A 38 -11.498 10.135 0.695 1.00 3.57 H new ATOM 0 HA SER A 38 -14.112 9.200 -0.049 1.00 3.76 H new ATOM 0 HB2 SER A 38 -13.347 11.634 0.226 1.00 3.59 H new ATOM 0 HB3 SER A 38 -12.401 11.444 -1.237 1.00 3.59 H new ATOM 0 HG SER A 38 -14.581 10.680 -2.160 1.00 3.89 H new ATOM 579 N LEU A 39 -11.698 8.303 -1.928 1.00 3.59 N ATOM 580 CA LEU A 39 -11.345 7.576 -3.153 1.00 3.65 C ATOM 581 C LEU A 39 -11.295 6.063 -2.923 1.00 3.91 C ATOM 582 O LEU A 39 -11.147 5.288 -3.875 1.00 4.06 O ATOM 583 CB LEU A 39 -10.011 8.073 -3.718 1.00 3.29 C ATOM 584 CG LEU A 39 -9.931 9.583 -3.912 1.00 3.06 C ATOM 585 CD1 LEU A 39 -9.237 10.215 -2.731 1.00 2.78 C ATOM 586 CD2 LEU A 39 -9.228 9.940 -5.202 1.00 3.19 C ATOM 0 H LEU A 39 -10.951 8.353 -1.235 1.00 3.59 H new ATOM 0 HA LEU A 39 -12.130 7.775 -3.882 1.00 3.65 H new ATOM 0 HB2 LEU A 39 -9.209 7.762 -3.049 1.00 3.29 H new ATOM 0 HB3 LEU A 39 -9.833 7.586 -4.677 1.00 3.29 H new ATOM 0 HG LEU A 39 -10.947 9.973 -3.978 1.00 3.06 H new ATOM 0 HD11 LEU A 39 -9.183 11.294 -2.875 1.00 2.78 H new ATOM 0 HD12 LEU A 39 -9.797 9.998 -1.821 1.00 2.78 H new ATOM 0 HD13 LEU A 39 -8.229 9.810 -2.642 1.00 2.78 H new ATOM 0 HD21 LEU A 39 -9.189 11.024 -5.307 1.00 3.19 H new ATOM 0 HD22 LEU A 39 -8.214 9.540 -5.186 1.00 3.19 H new ATOM 0 HD23 LEU A 39 -9.773 9.513 -6.044 1.00 3.19 H new ATOM 598 N GLY A 40 -11.430 5.657 -1.656 1.00 4.01 N ATOM 599 CA GLY A 40 -11.397 4.245 -1.299 1.00 4.30 C ATOM 600 C GLY A 40 -10.058 3.820 -0.722 1.00 4.16 C ATOM 601 O GLY A 40 -9.653 2.664 -0.877 1.00 4.36 O ATOM 0 H GLY A 40 -11.563 6.289 -0.866 1.00 4.01 H new ATOM 0 HA2 GLY A 40 -12.183 4.039 -0.573 1.00 4.30 H new ATOM 0 HA3 GLY A 40 -11.614 3.645 -2.183 1.00 4.30 H new ATOM 605 N GLN A 41 -9.372 4.763 -0.056 1.00 3.86 N ATOM 606 CA GLN A 41 -8.067 4.512 0.557 1.00 3.74 C ATOM 607 C GLN A 41 -7.907 5.446 1.751 1.00 3.60 C ATOM 608 O GLN A 41 -7.889 6.663 1.589 1.00 3.46 O ATOM 609 CB GLN A 41 -6.944 4.754 -0.476 1.00 3.47 C ATOM 610 CG GLN A 41 -5.594 4.129 -0.124 1.00 3.68 C ATOM 611 CD GLN A 41 -5.542 2.635 -0.395 1.00 3.94 C ATOM 612 OE1 GLN A 41 -5.177 2.203 -1.488 1.00 4.34 O ATOM 613 NE2 GLN A 41 -5.910 1.840 0.604 1.00 4.15 N ATOM 0 H GLN A 41 -9.710 5.717 0.070 1.00 3.86 H new ATOM 0 HA GLN A 41 -8.001 3.477 0.892 1.00 3.74 H new ATOM 0 HB2 GLN A 41 -7.268 4.362 -1.440 1.00 3.47 H new ATOM 0 HB3 GLN A 41 -6.809 5.829 -0.598 1.00 3.47 H new ATOM 0 HG2 GLN A 41 -4.810 4.624 -0.697 1.00 3.68 H new ATOM 0 HG3 GLN A 41 -5.380 4.309 0.930 1.00 3.68 H new ATOM 0 HE21 GLN A 41 -6.206 2.242 1.494 1.00 4.15 H new ATOM 0 HE22 GLN A 41 -5.897 0.827 0.481 1.00 4.15 H new ATOM 622 N ASN A 42 -7.764 4.877 2.940 1.00 3.76 N ATOM 623 CA ASN A 42 -7.636 5.676 4.142 1.00 3.68 C ATOM 624 C ASN A 42 -6.159 5.799 4.590 1.00 3.53 C ATOM 625 O ASN A 42 -5.383 4.866 4.366 1.00 3.67 O ATOM 626 CB ASN A 42 -8.497 5.080 5.281 1.00 4.06 C ATOM 627 CG ASN A 42 -8.184 3.619 5.618 1.00 4.60 C ATOM 628 OD1 ASN A 42 -7.039 3.169 5.534 1.00 4.82 O ATOM 629 ND2 ASN A 42 -9.213 2.873 6.003 1.00 5.19 N ATOM 0 H ASN A 42 -7.734 3.869 3.094 1.00 3.76 H new ATOM 0 HA ASN A 42 -7.997 6.678 3.913 1.00 3.68 H new ATOM 0 HB2 ASN A 42 -8.358 5.684 6.178 1.00 4.06 H new ATOM 0 HB3 ASN A 42 -9.548 5.158 5.003 1.00 4.06 H new ATOM 0 HD21 ASN A 42 -9.070 1.892 6.242 1.00 5.19 H new ATOM 0 HD22 ASN A 42 -10.146 3.281 6.060 1.00 5.19 H new ATOM 636 N PRO A 43 -5.740 6.940 5.224 1.00 3.30 N ATOM 637 CA PRO A 43 -4.361 7.126 5.706 1.00 3.22 C ATOM 638 C PRO A 43 -4.168 6.608 7.141 1.00 3.54 C ATOM 639 O PRO A 43 -5.141 6.222 7.797 1.00 3.81 O ATOM 640 CB PRO A 43 -4.171 8.653 5.654 1.00 2.89 C ATOM 641 CG PRO A 43 -5.514 9.246 5.329 1.00 2.92 C ATOM 642 CD PRO A 43 -6.533 8.153 5.506 1.00 3.17 C ATOM 0 HA PRO A 43 -3.640 6.571 5.106 1.00 3.22 H new ATOM 0 HB2 PRO A 43 -3.803 9.030 6.608 1.00 2.89 H new ATOM 0 HB3 PRO A 43 -3.435 8.926 4.898 1.00 2.89 H new ATOM 0 HG2 PRO A 43 -5.733 10.087 5.986 1.00 2.92 H new ATOM 0 HG3 PRO A 43 -5.530 9.627 4.308 1.00 2.92 H new ATOM 0 HD2 PRO A 43 -6.949 8.143 6.514 1.00 3.17 H new ATOM 0 HD3 PRO A 43 -7.371 8.261 4.817 1.00 3.17 H new ATOM 650 N THR A 44 -2.911 6.605 7.623 1.00 3.56 N ATOM 651 CA THR A 44 -2.598 6.147 8.986 1.00 3.90 C ATOM 652 C THR A 44 -2.911 7.247 10.011 1.00 3.85 C ATOM 653 O THR A 44 -3.052 8.414 9.644 1.00 3.54 O ATOM 654 CB THR A 44 -1.118 5.716 9.131 1.00 4.01 C ATOM 655 OG1 THR A 44 -0.535 5.464 7.844 1.00 3.86 O ATOM 656 CG2 THR A 44 -1.002 4.462 9.988 1.00 4.50 C ATOM 0 H THR A 44 -2.099 6.914 7.089 1.00 3.56 H new ATOM 0 HA THR A 44 -3.225 5.276 9.178 1.00 3.90 H new ATOM 0 HB THR A 44 -0.582 6.532 9.616 1.00 4.01 H new ATOM 0 HG1 THR A 44 0.430 5.323 7.944 1.00 3.86 H new ATOM 0 HG21 THR A 44 0.046 4.177 10.076 1.00 4.50 H new ATOM 0 HG22 THR A 44 -1.409 4.660 10.980 1.00 4.50 H new ATOM 0 HG23 THR A 44 -1.560 3.650 9.522 1.00 4.50 H new ATOM 664 N GLU A 45 -3.014 6.862 11.289 1.00 4.21 N ATOM 665 CA GLU A 45 -3.341 7.802 12.377 1.00 4.27 C ATOM 666 C GLU A 45 -2.136 8.637 12.845 1.00 4.16 C ATOM 667 O GLU A 45 -2.262 9.847 13.055 1.00 4.02 O ATOM 668 CB GLU A 45 -3.965 7.054 13.576 1.00 4.73 C ATOM 669 CG GLU A 45 -3.192 5.821 14.052 1.00 4.87 C ATOM 670 CD GLU A 45 -3.855 5.137 15.231 1.00 5.41 C ATOM 671 OE1 GLU A 45 -3.539 5.501 16.383 1.00 5.67 O ATOM 672 OE2 GLU A 45 -4.692 4.238 15.002 1.00 5.89 O ATOM 0 H GLU A 45 -2.875 5.900 11.600 1.00 4.21 H new ATOM 0 HA GLU A 45 -4.067 8.502 11.963 1.00 4.27 H new ATOM 0 HB2 GLU A 45 -4.056 7.750 14.410 1.00 4.73 H new ATOM 0 HB3 GLU A 45 -4.975 6.747 13.306 1.00 4.73 H new ATOM 0 HG2 GLU A 45 -3.103 5.112 13.229 1.00 4.87 H new ATOM 0 HG3 GLU A 45 -2.180 6.116 14.330 1.00 4.87 H new ATOM 679 N ALA A 46 -0.980 7.982 13.001 1.00 4.29 N ATOM 680 CA ALA A 46 0.244 8.644 13.477 1.00 4.30 C ATOM 681 C ALA A 46 1.029 9.365 12.374 1.00 3.96 C ATOM 682 O ALA A 46 1.838 10.248 12.676 1.00 3.93 O ATOM 683 CB ALA A 46 1.145 7.631 14.165 1.00 4.70 C ATOM 0 H ALA A 46 -0.865 6.988 12.804 1.00 4.29 H new ATOM 0 HA ALA A 46 -0.080 9.413 14.179 1.00 4.30 H new ATOM 0 HB1 ALA A 46 2.050 8.128 14.515 1.00 4.70 H new ATOM 0 HB2 ALA A 46 0.619 7.194 15.014 1.00 4.70 H new ATOM 0 HB3 ALA A 46 1.413 6.844 13.460 1.00 4.70 H new ATOM 689 N GLU A 47 0.795 8.997 11.106 1.00 3.76 N ATOM 690 CA GLU A 47 1.509 9.600 9.979 1.00 3.47 C ATOM 691 C GLU A 47 0.973 10.966 9.577 1.00 3.09 C ATOM 692 O GLU A 47 1.747 11.811 9.119 1.00 2.91 O ATOM 693 CB GLU A 47 1.520 8.655 8.770 1.00 3.43 C ATOM 694 CG GLU A 47 2.564 7.543 8.854 1.00 3.78 C ATOM 695 CD GLU A 47 2.145 6.388 9.749 1.00 3.77 C ATOM 696 OE1 GLU A 47 1.858 5.297 9.214 1.00 3.72 O ATOM 697 OE2 GLU A 47 2.110 6.575 10.984 1.00 4.19 O ATOM 0 H GLU A 47 0.116 8.284 10.839 1.00 3.76 H new ATOM 0 HA GLU A 47 2.530 9.759 10.325 1.00 3.47 H new ATOM 0 HB2 GLU A 47 0.533 8.204 8.666 1.00 3.43 H new ATOM 0 HB3 GLU A 47 1.700 9.240 7.868 1.00 3.43 H new ATOM 0 HG2 GLU A 47 2.761 7.163 7.851 1.00 3.78 H new ATOM 0 HG3 GLU A 47 3.500 7.960 9.226 1.00 3.78 H new ATOM 704 N LEU A 48 -0.336 11.192 9.750 1.00 3.03 N ATOM 705 CA LEU A 48 -0.957 12.492 9.415 1.00 2.71 C ATOM 706 C LEU A 48 -0.256 13.635 10.139 1.00 2.75 C ATOM 707 O LEU A 48 -0.299 14.778 9.704 1.00 2.53 O ATOM 708 CB LEU A 48 -2.432 12.544 9.793 1.00 2.77 C ATOM 709 CG LEU A 48 -3.279 11.338 9.415 1.00 2.90 C ATOM 710 CD1 LEU A 48 -4.336 11.071 10.476 1.00 3.19 C ATOM 711 CD2 LEU A 48 -3.924 11.589 8.073 1.00 2.63 C ATOM 0 H LEU A 48 -0.988 10.499 10.118 1.00 3.03 H new ATOM 0 HA LEU A 48 -0.857 12.600 8.335 1.00 2.71 H new ATOM 0 HB2 LEU A 48 -2.502 12.684 10.872 1.00 2.77 H new ATOM 0 HB3 LEU A 48 -2.871 13.427 9.328 1.00 2.77 H new ATOM 0 HG LEU A 48 -2.642 10.456 9.351 1.00 2.90 H new ATOM 0 HD11 LEU A 48 -4.931 10.205 10.187 1.00 3.19 H new ATOM 0 HD12 LEU A 48 -3.851 10.875 11.432 1.00 3.19 H new ATOM 0 HD13 LEU A 48 -4.985 11.942 10.570 1.00 3.19 H new ATOM 0 HD21 LEU A 48 -4.533 10.729 7.795 1.00 2.63 H new ATOM 0 HD22 LEU A 48 -4.555 12.476 8.133 1.00 2.63 H new ATOM 0 HD23 LEU A 48 -3.150 11.744 7.321 1.00 2.63 H new ATOM 723 N GLN A 49 0.352 13.300 11.270 1.00 3.08 N ATOM 724 CA GLN A 49 1.097 14.258 12.073 1.00 3.22 C ATOM 725 C GLN A 49 2.534 14.425 11.564 1.00 3.25 C ATOM 726 O GLN A 49 3.058 15.538 11.583 1.00 3.25 O ATOM 727 CB GLN A 49 1.123 13.819 13.540 1.00 3.61 C ATOM 728 CG GLN A 49 -0.207 13.990 14.260 1.00 3.67 C ATOM 729 CD GLN A 49 -0.146 13.552 15.710 1.00 4.10 C ATOM 730 OE1 GLN A 49 -0.400 12.391 16.031 1.00 4.58 O ATOM 731 NE2 GLN A 49 0.192 14.481 16.596 1.00 4.30 N ATOM 0 H GLN A 49 0.342 12.356 11.656 1.00 3.08 H new ATOM 0 HA GLN A 49 0.589 15.219 11.988 1.00 3.22 H new ATOM 0 HB2 GLN A 49 1.420 12.771 13.590 1.00 3.61 H new ATOM 0 HB3 GLN A 49 1.886 14.392 14.067 1.00 3.61 H new ATOM 0 HG2 GLN A 49 -0.509 15.036 14.213 1.00 3.67 H new ATOM 0 HG3 GLN A 49 -0.973 13.413 13.742 1.00 3.67 H new ATOM 0 HE21 GLN A 49 0.394 15.432 16.286 1.00 4.30 H new ATOM 0 HE22 GLN A 49 0.249 14.244 17.586 1.00 4.30 H new ATOM 740 N ASP A 50 3.169 13.319 11.120 1.00 3.34 N ATOM 741 CA ASP A 50 4.563 13.376 10.649 1.00 3.43 C ATOM 742 C ASP A 50 4.748 13.686 9.152 1.00 3.13 C ATOM 743 O ASP A 50 5.469 14.628 8.822 1.00 3.13 O ATOM 744 CB ASP A 50 5.322 12.109 10.991 1.00 3.76 C ATOM 745 CG ASP A 50 5.410 11.848 12.485 1.00 4.11 C ATOM 746 OD1 ASP A 50 6.380 12.320 13.114 1.00 4.38 O ATOM 747 OD2 ASP A 50 4.508 11.172 13.023 1.00 4.38 O ATOM 0 H ASP A 50 2.745 12.392 11.079 1.00 3.34 H new ATOM 0 HA ASP A 50 4.976 14.228 11.189 1.00 3.43 H new ATOM 0 HB2 ASP A 50 4.836 11.261 10.509 1.00 3.76 H new ATOM 0 HB3 ASP A 50 6.330 12.175 10.580 1.00 3.76 H new ATOM 752 N MET A 51 4.145 12.895 8.229 1.00 2.93 N ATOM 753 CA MET A 51 4.341 13.157 6.777 1.00 2.66 C ATOM 754 C MET A 51 3.735 14.478 6.372 1.00 2.39 C ATOM 755 O MET A 51 4.245 15.157 5.476 1.00 2.30 O ATOM 756 CB MET A 51 3.884 12.002 5.862 1.00 2.59 C ATOM 757 CG MET A 51 2.634 11.268 6.303 1.00 2.35 C ATOM 758 SD MET A 51 1.171 11.790 5.407 1.00 2.18 S ATOM 759 CE MET A 51 -0.053 10.987 6.414 1.00 2.48 C ATOM 0 H MET A 51 3.543 12.102 8.448 1.00 2.93 H new ATOM 0 HA MET A 51 5.419 13.221 6.629 1.00 2.66 H new ATOM 0 HB2 MET A 51 3.715 12.401 4.862 1.00 2.59 H new ATOM 0 HB3 MET A 51 4.698 11.281 5.784 1.00 2.59 H new ATOM 0 HG2 MET A 51 2.778 10.197 6.162 1.00 2.35 H new ATOM 0 HG3 MET A 51 2.479 11.431 7.370 1.00 2.35 H new ATOM 0 HE1 MET A 51 -0.978 11.563 6.391 1.00 2.48 H new ATOM 0 HE2 MET A 51 -0.240 9.985 6.029 1.00 2.48 H new ATOM 0 HE3 MET A 51 0.307 10.920 7.440 1.00 2.48 H new ATOM 769 N ILE A 52 2.662 14.844 7.055 1.00 2.33 N ATOM 770 CA ILE A 52 2.010 16.122 6.853 1.00 2.15 C ATOM 771 C ILE A 52 2.881 17.228 7.443 1.00 2.40 C ATOM 772 O ILE A 52 2.795 18.377 7.046 1.00 2.36 O ATOM 773 CB ILE A 52 0.595 16.097 7.482 1.00 2.10 C ATOM 774 CG1 ILE A 52 -0.432 15.844 6.394 1.00 1.78 C ATOM 775 CG2 ILE A 52 0.254 17.360 8.270 1.00 2.22 C ATOM 776 CD1 ILE A 52 -1.115 14.504 6.507 1.00 1.85 C ATOM 0 H ILE A 52 2.220 14.260 7.765 1.00 2.33 H new ATOM 0 HA ILE A 52 1.888 16.320 5.788 1.00 2.15 H new ATOM 0 HB ILE A 52 0.579 15.286 8.210 1.00 2.10 H new ATOM 0 HG12 ILE A 52 -1.186 16.631 6.428 1.00 1.78 H new ATOM 0 HG13 ILE A 52 0.057 15.912 5.422 1.00 1.78 H new ATOM 0 HG21 ILE A 52 -0.751 17.272 8.682 1.00 2.22 H new ATOM 0 HG22 ILE A 52 0.969 17.486 9.083 1.00 2.22 H new ATOM 0 HG23 ILE A 52 0.301 18.225 7.609 1.00 2.22 H new ATOM 0 HD11 ILE A 52 -1.835 14.393 5.696 1.00 1.85 H new ATOM 0 HD12 ILE A 52 -0.371 13.710 6.443 1.00 1.85 H new ATOM 0 HD13 ILE A 52 -1.633 14.439 7.464 1.00 1.85 H new ATOM 788 N ASN A 53 3.750 16.825 8.368 1.00 2.72 N ATOM 789 CA ASN A 53 4.686 17.722 9.035 1.00 3.03 C ATOM 790 C ASN A 53 5.816 18.101 8.114 1.00 3.09 C ATOM 791 O ASN A 53 6.635 18.973 8.393 1.00 3.36 O ATOM 792 CB ASN A 53 5.222 17.039 10.297 1.00 3.37 C ATOM 793 CG ASN A 53 5.994 17.967 11.224 1.00 3.66 C ATOM 794 OD1 ASN A 53 7.210 18.114 11.101 1.00 3.89 O ATOM 795 ND2 ASN A 53 5.287 18.595 12.156 1.00 3.98 N ATOM 0 H ASN A 53 3.823 15.856 8.677 1.00 2.72 H new ATOM 0 HA ASN A 53 4.167 18.639 9.313 1.00 3.03 H new ATOM 0 HB2 ASN A 53 4.386 16.607 10.847 1.00 3.37 H new ATOM 0 HB3 ASN A 53 5.871 16.214 10.003 1.00 3.37 H new ATOM 0 HD21 ASN A 53 5.750 19.229 12.807 1.00 3.98 H new ATOM 0 HD22 ASN A 53 4.280 18.443 12.221 1.00 3.98 H new ATOM 802 N GLU A 54 5.851 17.365 7.062 1.00 2.90 N ATOM 803 CA GLU A 54 6.810 17.558 5.989 1.00 2.96 C ATOM 804 C GLU A 54 6.286 18.570 4.970 1.00 2.77 C ATOM 805 O GLU A 54 7.061 19.150 4.204 1.00 2.93 O ATOM 806 CB GLU A 54 7.103 16.219 5.301 1.00 2.91 C ATOM 807 CG GLU A 54 7.927 15.259 6.149 1.00 3.22 C ATOM 808 CD GLU A 54 8.143 13.920 5.472 1.00 3.25 C ATOM 809 OE1 GLU A 54 9.148 13.778 4.745 1.00 3.56 O ATOM 810 OE2 GLU A 54 7.307 13.013 5.669 1.00 3.40 O ATOM 0 H GLU A 54 5.208 16.590 6.902 1.00 2.90 H new ATOM 0 HA GLU A 54 7.733 17.949 6.417 1.00 2.96 H new ATOM 0 HB2 GLU A 54 6.159 15.741 5.041 1.00 2.91 H new ATOM 0 HB3 GLU A 54 7.632 16.409 4.367 1.00 2.91 H new ATOM 0 HG2 GLU A 54 8.894 15.712 6.367 1.00 3.22 H new ATOM 0 HG3 GLU A 54 7.426 15.102 7.104 1.00 3.22 H new ATOM 817 N VAL A 55 4.965 18.768 4.978 1.00 2.49 N ATOM 818 CA VAL A 55 4.311 19.698 4.053 1.00 2.36 C ATOM 819 C VAL A 55 3.421 20.720 4.764 1.00 2.40 C ATOM 820 O VAL A 55 3.126 21.778 4.197 1.00 2.49 O ATOM 821 CB VAL A 55 3.519 18.921 2.953 1.00 1.99 C ATOM 822 CG1 VAL A 55 2.664 19.835 2.073 1.00 2.37 C ATOM 823 CG2 VAL A 55 4.479 18.120 2.085 1.00 2.07 C ATOM 0 H VAL A 55 4.326 18.295 5.617 1.00 2.49 H new ATOM 0 HA VAL A 55 5.103 20.270 3.570 1.00 2.36 H new ATOM 0 HB VAL A 55 2.836 18.250 3.474 1.00 1.99 H new ATOM 0 HG11 VAL A 55 2.139 19.236 1.329 1.00 2.37 H new ATOM 0 HG12 VAL A 55 1.938 20.362 2.693 1.00 2.37 H new ATOM 0 HG13 VAL A 55 3.305 20.559 1.570 1.00 2.37 H new ATOM 0 HG21 VAL A 55 3.917 17.582 1.322 1.00 2.07 H new ATOM 0 HG22 VAL A 55 5.187 18.796 1.606 1.00 2.07 H new ATOM 0 HG23 VAL A 55 5.022 17.407 2.705 1.00 2.07 H new ATOM 833 N ALA A 56 3.022 20.436 5.998 1.00 2.43 N ATOM 834 CA ALA A 56 2.163 21.355 6.728 1.00 2.53 C ATOM 835 C ALA A 56 3.005 22.115 7.740 1.00 2.90 C ATOM 836 O ALA A 56 2.494 22.786 8.646 1.00 3.05 O ATOM 837 CB ALA A 56 1.016 20.599 7.374 1.00 2.36 C ATOM 0 H ALA A 56 3.276 19.589 6.507 1.00 2.43 H new ATOM 0 HA ALA A 56 1.715 22.081 6.049 1.00 2.53 H new ATOM 0 HB1 ALA A 56 0.380 21.298 7.918 1.00 2.36 H new ATOM 0 HB2 ALA A 56 0.430 20.099 6.603 1.00 2.36 H new ATOM 0 HB3 ALA A 56 1.414 19.857 8.066 1.00 2.36 H new ATOM 843 N ALA A 57 4.319 22.002 7.537 1.00 3.08 N ATOM 844 CA ALA A 57 5.303 22.645 8.373 1.00 3.45 C ATOM 845 C ALA A 57 6.036 23.736 7.632 1.00 3.67 C ATOM 846 O ALA A 57 6.523 23.554 6.513 1.00 3.69 O ATOM 847 CB ALA A 57 6.281 21.639 8.939 1.00 3.64 C ATOM 0 H ALA A 57 4.722 21.454 6.777 1.00 3.08 H new ATOM 0 HA ALA A 57 4.767 23.107 9.202 1.00 3.45 H new ATOM 0 HB1 ALA A 57 7.011 22.153 9.565 1.00 3.64 H new ATOM 0 HB2 ALA A 57 5.742 20.905 9.538 1.00 3.64 H new ATOM 0 HB3 ALA A 57 6.796 21.133 8.122 1.00 3.64 H new ATOM 886 N GLY A 61 0.383 25.921 11.006 1.00 3.52 N ATOM 887 CA GLY A 61 -0.470 25.106 11.862 1.00 3.44 C ATOM 888 C GLY A 61 -1.395 24.165 11.100 1.00 3.11 C ATOM 889 O GLY A 61 -2.152 23.414 11.723 1.00 3.10 O ATOM 0 HA2 GLY A 61 0.159 24.518 12.530 1.00 3.44 H new ATOM 0 HA3 GLY A 61 -1.073 25.763 12.488 1.00 3.44 H new ATOM 893 N THR A 62 -1.341 24.201 9.759 1.00 2.91 N ATOM 894 CA THR A 62 -2.171 23.326 8.923 1.00 2.61 C ATOM 895 C THR A 62 -1.447 22.899 7.638 1.00 2.41 C ATOM 896 O THR A 62 -0.288 23.257 7.416 1.00 2.55 O ATOM 897 CB THR A 62 -3.541 23.960 8.585 1.00 2.62 C ATOM 898 OG1 THR A 62 -3.387 25.349 8.271 1.00 2.84 O ATOM 899 CG2 THR A 62 -4.499 23.793 9.755 1.00 2.75 C ATOM 0 H THR A 62 -0.731 24.827 9.233 1.00 2.91 H new ATOM 0 HA THR A 62 -2.357 22.433 9.519 1.00 2.61 H new ATOM 0 HB THR A 62 -3.953 23.450 7.714 1.00 2.62 H new ATOM 0 HG1 THR A 62 -3.941 25.572 7.494 1.00 2.84 H new ATOM 0 HG21 THR A 62 -5.460 24.243 9.506 1.00 2.75 H new ATOM 0 HG22 THR A 62 -4.638 22.732 9.963 1.00 2.75 H new ATOM 0 HG23 THR A 62 -4.086 24.284 10.636 1.00 2.75 H new ATOM 907 N ILE A 63 -2.174 22.162 6.793 1.00 2.14 N ATOM 908 CA ILE A 63 -1.666 21.586 5.554 1.00 1.93 C ATOM 909 C ILE A 63 -2.116 22.337 4.337 1.00 1.95 C ATOM 910 O ILE A 63 -3.280 22.662 4.210 1.00 1.99 O ATOM 911 CB ILE A 63 -2.238 20.190 5.257 1.00 1.63 C ATOM 912 CG1 ILE A 63 -3.235 19.693 6.322 1.00 1.70 C ATOM 913 CG2 ILE A 63 -1.183 19.116 4.951 1.00 1.51 C ATOM 914 CD1 ILE A 63 -2.604 19.232 7.621 1.00 1.95 C ATOM 0 H ILE A 63 -3.157 21.947 6.960 1.00 2.14 H new ATOM 0 HA ILE A 63 -0.588 21.598 5.718 1.00 1.93 H new ATOM 0 HB ILE A 63 -2.794 20.343 4.332 1.00 1.63 H new ATOM 0 HG12 ILE A 63 -3.939 20.495 6.542 1.00 1.70 H new ATOM 0 HG13 ILE A 63 -3.812 18.869 5.902 1.00 1.70 H new ATOM 0 HG21 ILE A 63 -1.678 18.165 4.754 1.00 1.51 H new ATOM 0 HG22 ILE A 63 -0.605 19.412 4.075 1.00 1.51 H new ATOM 0 HG23 ILE A 63 -0.516 19.007 5.806 1.00 1.51 H new ATOM 0 HD11 ILE A 63 -3.384 18.901 8.307 1.00 1.95 H new ATOM 0 HD12 ILE A 63 -1.922 18.406 7.421 1.00 1.95 H new ATOM 0 HD13 ILE A 63 -2.052 20.057 8.070 1.00 1.95 H new ATOM 926 N ASP A 64 -1.213 22.489 3.405 1.00 2.01 N ATOM 927 CA ASP A 64 -1.507 23.119 2.141 1.00 2.12 C ATOM 928 C ASP A 64 -1.733 22.018 1.090 1.00 1.86 C ATOM 929 O ASP A 64 -1.328 20.872 1.308 1.00 1.62 O ATOM 930 CB ASP A 64 -0.418 24.113 1.708 1.00 2.46 C ATOM 931 CG ASP A 64 0.978 23.507 1.610 1.00 2.46 C ATOM 932 OD1 ASP A 64 1.339 23.021 0.518 1.00 2.68 O ATOM 933 OD2 ASP A 64 1.704 23.521 2.626 1.00 2.74 O ATOM 0 H ASP A 64 -0.246 22.178 3.500 1.00 2.01 H new ATOM 0 HA ASP A 64 -2.412 23.717 2.246 1.00 2.12 H new ATOM 0 HB2 ASP A 64 -0.689 24.532 0.739 1.00 2.46 H new ATOM 0 HB3 ASP A 64 -0.394 24.940 2.417 1.00 2.46 H new ATOM 938 N PHE A 65 -2.361 22.356 -0.039 1.00 1.97 N ATOM 939 CA PHE A 65 -2.685 21.353 -1.064 1.00 1.80 C ATOM 940 C PHE A 65 -1.496 20.946 -1.992 1.00 1.83 C ATOM 941 O PHE A 65 -1.302 19.747 -2.200 1.00 1.60 O ATOM 942 CB PHE A 65 -3.869 21.837 -1.926 1.00 2.04 C ATOM 943 CG PHE A 65 -4.524 20.753 -2.760 1.00 1.95 C ATOM 944 CD1 PHE A 65 -5.217 19.726 -2.149 1.00 2.40 C ATOM 945 CD2 PHE A 65 -4.457 20.773 -4.144 1.00 2.11 C ATOM 946 CE1 PHE A 65 -5.834 18.736 -2.876 1.00 2.45 C ATOM 947 CE2 PHE A 65 -5.070 19.782 -4.890 1.00 2.08 C ATOM 948 CZ PHE A 65 -5.758 18.764 -4.254 1.00 1.96 C ATOM 0 H PHE A 65 -2.654 23.306 -0.268 1.00 1.97 H new ATOM 0 HA PHE A 65 -2.947 20.454 -0.507 1.00 1.80 H new ATOM 0 HB2 PHE A 65 -4.621 22.279 -1.272 1.00 2.04 H new ATOM 0 HB3 PHE A 65 -3.519 22.627 -2.590 1.00 2.04 H new ATOM 0 HD1 PHE A 65 -5.276 19.700 -1.071 1.00 2.40 H new ATOM 0 HD2 PHE A 65 -3.923 21.567 -4.644 1.00 2.11 H new ATOM 0 HE1 PHE A 65 -6.372 17.945 -2.375 1.00 2.45 H new ATOM 0 HE2 PHE A 65 -5.011 19.803 -5.968 1.00 2.08 H new ATOM 0 HZ PHE A 65 -6.236 17.990 -4.836 1.00 1.96 H new ATOM 958 N PRO A 66 -0.683 21.912 -2.558 1.00 2.16 N ATOM 959 CA PRO A 66 0.423 21.612 -3.522 1.00 2.30 C ATOM 960 C PRO A 66 1.280 20.344 -3.276 1.00 2.09 C ATOM 961 O PRO A 66 1.352 19.483 -4.156 1.00 2.04 O ATOM 962 CB PRO A 66 1.292 22.865 -3.426 1.00 2.67 C ATOM 963 CG PRO A 66 0.328 23.966 -3.181 1.00 2.78 C ATOM 964 CD PRO A 66 -0.759 23.383 -2.314 1.00 2.48 C ATOM 0 HA PRO A 66 -0.008 21.384 -4.497 1.00 2.30 H new ATOM 0 HB2 PRO A 66 2.017 22.784 -2.616 1.00 2.67 H new ATOM 0 HB3 PRO A 66 1.856 23.028 -4.344 1.00 2.67 H new ATOM 0 HG2 PRO A 66 0.814 24.806 -2.685 1.00 2.78 H new ATOM 0 HG3 PRO A 66 -0.081 24.342 -4.119 1.00 2.78 H new ATOM 0 HD2 PRO A 66 -0.598 23.620 -1.262 1.00 2.48 H new ATOM 0 HD3 PRO A 66 -1.738 23.780 -2.584 1.00 2.48 H new ATOM 972 N GLU A 67 1.942 20.237 -2.115 1.00 2.04 N ATOM 973 CA GLU A 67 2.805 19.084 -1.823 1.00 1.95 C ATOM 974 C GLU A 67 2.109 17.929 -1.134 1.00 1.60 C ATOM 975 O GLU A 67 2.648 16.825 -1.042 1.00 1.59 O ATOM 976 CB GLU A 67 4.078 19.507 -1.086 1.00 2.24 C ATOM 977 CG GLU A 67 5.115 20.160 -1.986 1.00 2.61 C ATOM 978 CD GLU A 67 6.365 20.571 -1.232 1.00 3.15 C ATOM 979 OE1 GLU A 67 7.301 19.750 -1.141 1.00 3.47 O ATOM 980 OE2 GLU A 67 6.407 21.716 -0.733 1.00 3.66 O ATOM 0 H GLU A 67 1.897 20.930 -1.368 1.00 2.04 H new ATOM 0 HA GLU A 67 3.089 18.690 -2.799 1.00 1.95 H new ATOM 0 HB2 GLU A 67 3.812 20.201 -0.289 1.00 2.24 H new ATOM 0 HB3 GLU A 67 4.521 18.631 -0.612 1.00 2.24 H new ATOM 0 HG2 GLU A 67 5.387 19.468 -2.783 1.00 2.61 H new ATOM 0 HG3 GLU A 67 4.677 21.037 -2.462 1.00 2.61 H new ATOM 987 N PHE A 68 0.925 18.200 -0.655 1.00 1.40 N ATOM 988 CA PHE A 68 0.099 17.200 0.045 1.00 1.10 C ATOM 989 C PHE A 68 -0.260 16.036 -0.919 1.00 0.99 C ATOM 990 O PHE A 68 -0.460 14.904 -0.471 1.00 0.94 O ATOM 991 CB PHE A 68 -1.120 17.913 0.680 1.00 1.04 C ATOM 992 CG PHE A 68 -2.287 17.068 1.140 1.00 0.89 C ATOM 993 CD1 PHE A 68 -3.465 17.068 0.406 1.00 1.36 C ATOM 994 CD2 PHE A 68 -2.243 16.341 2.330 1.00 1.60 C ATOM 995 CE1 PHE A 68 -4.574 16.373 0.842 1.00 1.57 C ATOM 996 CE2 PHE A 68 -3.345 15.640 2.756 1.00 1.57 C ATOM 997 CZ PHE A 68 -4.521 15.659 2.018 1.00 1.15 C ATOM 0 H PHE A 68 0.487 19.118 -0.729 1.00 1.40 H new ATOM 0 HA PHE A 68 0.646 16.734 0.864 1.00 1.10 H new ATOM 0 HB2 PHE A 68 -0.762 18.481 1.539 1.00 1.04 H new ATOM 0 HB3 PHE A 68 -1.497 18.634 -0.045 1.00 1.04 H new ATOM 0 HD1 PHE A 68 -3.514 17.621 -0.521 1.00 1.36 H new ATOM 0 HD2 PHE A 68 -1.338 16.329 2.919 1.00 1.60 H new ATOM 0 HE1 PHE A 68 -5.484 16.389 0.261 1.00 1.57 H new ATOM 0 HE2 PHE A 68 -3.296 15.070 3.672 1.00 1.57 H new ATOM 0 HZ PHE A 68 -5.389 15.117 2.364 1.00 1.15 H new ATOM 1007 N LEU A 69 -0.337 16.335 -2.241 1.00 1.15 N ATOM 1008 CA LEU A 69 -0.597 15.302 -3.273 1.00 1.24 C ATOM 1009 C LEU A 69 0.686 14.579 -3.672 1.00 1.42 C ATOM 1010 O LEU A 69 0.667 13.380 -3.955 1.00 1.53 O ATOM 1011 CB LEU A 69 -1.233 15.847 -4.558 1.00 1.51 C ATOM 1012 CG LEU A 69 -2.093 17.093 -4.438 1.00 1.59 C ATOM 1013 CD1 LEU A 69 -1.280 18.296 -4.843 1.00 1.82 C ATOM 1014 CD2 LEU A 69 -3.311 16.968 -5.322 1.00 1.76 C ATOM 0 H LEU A 69 -0.223 17.277 -2.614 1.00 1.15 H new ATOM 0 HA LEU A 69 -1.305 14.622 -2.798 1.00 1.24 H new ATOM 0 HB2 LEU A 69 -0.432 16.057 -5.267 1.00 1.51 H new ATOM 0 HB3 LEU A 69 -1.844 15.056 -4.993 1.00 1.51 H new ATOM 0 HG LEU A 69 -2.424 17.209 -3.406 1.00 1.59 H new ATOM 0 HD11 LEU A 69 -1.892 19.194 -4.759 1.00 1.82 H new ATOM 0 HD12 LEU A 69 -0.412 18.386 -4.189 1.00 1.82 H new ATOM 0 HD13 LEU A 69 -0.947 18.179 -5.874 1.00 1.82 H new ATOM 0 HD21 LEU A 69 -3.922 17.866 -5.229 1.00 1.76 H new ATOM 0 HD22 LEU A 69 -2.997 16.848 -6.359 1.00 1.76 H new ATOM 0 HD23 LEU A 69 -3.895 16.099 -5.017 1.00 1.76 H new ATOM 1026 N THR A 70 1.801 15.327 -3.719 1.00 1.58 N ATOM 1027 CA THR A 70 3.109 14.756 -4.106 1.00 1.88 C ATOM 1028 C THR A 70 3.535 13.664 -3.126 1.00 1.87 C ATOM 1029 O THR A 70 4.170 12.678 -3.510 1.00 2.04 O ATOM 1030 CB THR A 70 4.220 15.827 -4.198 1.00 2.19 C ATOM 1031 OG1 THR A 70 4.240 16.631 -3.016 1.00 2.14 O ATOM 1032 CG2 THR A 70 4.026 16.716 -5.419 1.00 2.80 C ATOM 0 H THR A 70 1.827 16.322 -3.496 1.00 1.58 H new ATOM 0 HA THR A 70 2.976 14.327 -5.099 1.00 1.88 H new ATOM 0 HB THR A 70 5.173 15.308 -4.295 1.00 2.19 H new ATOM 0 HG1 THR A 70 3.655 16.231 -2.339 1.00 2.14 H new ATOM 0 HG21 THR A 70 4.822 17.460 -5.458 1.00 2.80 H new ATOM 0 HG22 THR A 70 4.055 16.106 -6.322 1.00 2.80 H new ATOM 0 HG23 THR A 70 3.062 17.220 -5.353 1.00 2.80 H new ATOM 1040 N MET A 71 3.170 13.870 -1.858 1.00 1.77 N ATOM 1041 CA MET A 71 3.447 12.917 -0.780 1.00 1.91 C ATOM 1042 C MET A 71 2.396 11.793 -0.752 1.00 1.83 C ATOM 1043 O MET A 71 2.659 10.707 -0.238 1.00 2.06 O ATOM 1044 CB MET A 71 3.499 13.640 0.579 1.00 2.01 C ATOM 1045 CG MET A 71 2.289 14.522 0.883 1.00 2.31 C ATOM 1046 SD MET A 71 2.529 15.546 2.341 1.00 2.07 S ATOM 1047 CE MET A 71 2.022 14.426 3.636 1.00 1.57 C ATOM 0 H MET A 71 2.672 14.705 -1.549 1.00 1.77 H new ATOM 0 HA MET A 71 4.420 12.465 -0.971 1.00 1.91 H new ATOM 0 HB2 MET A 71 3.594 12.894 1.368 1.00 2.01 H new ATOM 0 HB3 MET A 71 4.398 14.256 0.613 1.00 2.01 H new ATOM 0 HG2 MET A 71 2.085 15.161 0.024 1.00 2.31 H new ATOM 0 HG3 MET A 71 1.411 13.892 1.027 1.00 2.31 H new ATOM 0 HE1 MET A 71 1.774 14.995 4.532 1.00 1.57 H new ATOM 0 HE2 MET A 71 1.147 13.864 3.309 1.00 1.57 H new ATOM 0 HE3 MET A 71 2.835 13.735 3.858 1.00 1.57 H new ATOM 1057 N MET A 72 1.208 12.080 -1.324 1.00 1.61 N ATOM 1058 CA MET A 72 0.073 11.136 -1.379 1.00 1.69 C ATOM 1059 C MET A 72 0.467 9.742 -1.900 1.00 1.97 C ATOM 1060 O MET A 72 -0.102 8.737 -1.464 1.00 2.17 O ATOM 1061 CB MET A 72 -1.048 11.728 -2.240 1.00 1.60 C ATOM 1062 CG MET A 72 -2.095 12.486 -1.438 1.00 1.46 C ATOM 1063 SD MET A 72 -3.189 11.397 -0.511 1.00 1.69 S ATOM 1064 CE MET A 72 -4.460 12.556 -0.012 1.00 1.53 C ATOM 0 H MET A 72 1.009 12.979 -1.763 1.00 1.61 H new ATOM 0 HA MET A 72 -0.274 10.994 -0.356 1.00 1.69 H new ATOM 0 HB2 MET A 72 -0.611 12.400 -2.979 1.00 1.60 H new ATOM 0 HB3 MET A 72 -1.536 10.923 -2.790 1.00 1.60 H new ATOM 0 HG2 MET A 72 -1.595 13.165 -0.747 1.00 1.46 H new ATOM 0 HG3 MET A 72 -2.689 13.100 -2.114 1.00 1.46 H new ATOM 0 HE1 MET A 72 -5.432 12.064 -0.041 1.00 1.53 H new ATOM 0 HE2 MET A 72 -4.259 12.903 1.002 1.00 1.53 H new ATOM 0 HE3 MET A 72 -4.464 13.407 -0.693 1.00 1.53 H new ATOM 1207 N SER A 81 2.805 -3.365 -2.089 1.00 3.49 N ATOM 1208 CA SER A 81 2.553 -4.797 -2.294 1.00 3.36 C ATOM 1209 C SER A 81 3.522 -5.705 -1.526 1.00 2.88 C ATOM 1210 O SER A 81 3.223 -6.878 -1.290 1.00 2.79 O ATOM 1211 CB SER A 81 2.612 -5.128 -3.786 1.00 3.71 C ATOM 1212 OG SER A 81 1.598 -4.445 -4.502 1.00 4.35 O ATOM 0 HA SER A 81 1.557 -4.994 -1.897 1.00 3.36 H new ATOM 0 HB2 SER A 81 3.589 -4.854 -4.184 1.00 3.71 H new ATOM 0 HB3 SER A 81 2.500 -6.203 -3.928 1.00 3.71 H new ATOM 0 HG SER A 81 1.351 -3.628 -4.020 1.00 4.35 H new ATOM 1218 N GLU A 82 4.670 -5.154 -1.139 1.00 2.97 N ATOM 1219 CA GLU A 82 5.697 -5.910 -0.397 1.00 3.25 C ATOM 1220 C GLU A 82 5.390 -5.944 1.094 1.00 3.85 C ATOM 1221 O GLU A 82 5.846 -6.829 1.821 1.00 4.27 O ATOM 1222 CB GLU A 82 7.076 -5.295 -0.618 1.00 3.94 C ATOM 1223 CG GLU A 82 7.625 -5.485 -2.026 1.00 4.12 C ATOM 1224 CD GLU A 82 8.995 -4.861 -2.207 1.00 4.93 C ATOM 1225 OE1 GLU A 82 10.002 -5.559 -1.964 1.00 5.51 O ATOM 1226 OE2 GLU A 82 9.061 -3.674 -2.591 1.00 5.25 O ATOM 0 H GLU A 82 4.921 -4.183 -1.324 1.00 2.97 H new ATOM 0 HA GLU A 82 5.690 -6.932 -0.776 1.00 3.25 H new ATOM 0 HB2 GLU A 82 7.025 -4.228 -0.401 1.00 3.94 H new ATOM 0 HB3 GLU A 82 7.775 -5.732 0.095 1.00 3.94 H new ATOM 0 HG2 GLU A 82 7.683 -6.550 -2.249 1.00 4.12 H new ATOM 0 HG3 GLU A 82 6.932 -5.046 -2.744 1.00 4.12 H new ATOM 1233 N GLU A 83 4.650 -4.941 1.532 1.00 4.18 N ATOM 1234 CA GLU A 83 4.202 -4.829 2.922 1.00 5.12 C ATOM 1235 C GLU A 83 2.954 -5.695 3.141 1.00 5.33 C ATOM 1236 O GLU A 83 2.635 -6.072 4.272 1.00 6.21 O ATOM 1237 CB GLU A 83 3.898 -3.370 3.279 1.00 5.53 C ATOM 1238 CG GLU A 83 5.141 -2.508 3.452 1.00 5.74 C ATOM 1239 CD GLU A 83 4.809 -1.071 3.804 1.00 6.48 C ATOM 1240 OE1 GLU A 83 4.667 -0.772 5.008 1.00 6.88 O ATOM 1241 OE2 GLU A 83 4.693 -0.245 2.875 1.00 6.89 O ATOM 0 H GLU A 83 4.338 -4.174 0.936 1.00 4.18 H new ATOM 0 HA GLU A 83 5.002 -5.182 3.572 1.00 5.12 H new ATOM 0 HB2 GLU A 83 3.273 -2.937 2.498 1.00 5.53 H new ATOM 0 HB3 GLU A 83 3.318 -3.345 4.202 1.00 5.53 H new ATOM 0 HG2 GLU A 83 5.768 -2.934 4.235 1.00 5.74 H new ATOM 0 HG3 GLU A 83 5.723 -2.527 2.531 1.00 5.74 H new ATOM 1248 N GLU A 84 2.264 -5.996 2.028 1.00 4.72 N ATOM 1249 CA GLU A 84 1.037 -6.798 2.035 1.00 5.16 C ATOM 1250 C GLU A 84 1.307 -8.312 2.044 1.00 4.87 C ATOM 1251 O GLU A 84 0.487 -9.069 2.570 1.00 5.53 O ATOM 1252 CB GLU A 84 0.168 -6.434 0.826 1.00 5.11 C ATOM 1253 CG GLU A 84 -0.474 -5.055 0.924 1.00 5.77 C ATOM 1254 CD GLU A 84 -1.228 -4.665 -0.333 1.00 6.38 C ATOM 1255 OE1 GLU A 84 -0.574 -4.448 -1.376 1.00 6.86 O ATOM 1256 OE2 GLU A 84 -2.472 -4.571 -0.274 1.00 6.68 O ATOM 0 H GLU A 84 2.545 -5.687 1.097 1.00 4.72 H new ATOM 0 HA GLU A 84 0.513 -6.563 2.961 1.00 5.16 H new ATOM 0 HB2 GLU A 84 0.779 -6.477 -0.075 1.00 5.11 H new ATOM 0 HB3 GLU A 84 -0.616 -7.183 0.715 1.00 5.11 H new ATOM 0 HG2 GLU A 84 -1.158 -5.038 1.772 1.00 5.77 H new ATOM 0 HG3 GLU A 84 0.299 -4.313 1.123 1.00 5.77 H new ATOM 1263 N ILE A 85 2.446 -8.762 1.464 1.00 3.98 N ATOM 1264 CA ILE A 85 2.790 -10.203 1.432 1.00 3.69 C ATOM 1265 C ILE A 85 2.943 -10.775 2.818 1.00 4.63 C ATOM 1266 O ILE A 85 2.168 -11.642 3.223 1.00 5.03 O ATOM 1267 CB ILE A 85 4.063 -10.517 0.590 1.00 2.77 C ATOM 1268 CG1 ILE A 85 5.108 -9.399 0.700 1.00 3.16 C ATOM 1269 CG2 ILE A 85 3.683 -10.726 -0.862 1.00 1.99 C ATOM 1270 CD1 ILE A 85 6.531 -9.884 0.888 1.00 3.97 C ATOM 0 H ILE A 85 3.134 -8.156 1.017 1.00 3.98 H new ATOM 0 HA ILE A 85 1.946 -10.685 0.939 1.00 3.69 H new ATOM 0 HB ILE A 85 4.508 -11.429 0.988 1.00 2.77 H new ATOM 0 HG12 ILE A 85 5.062 -8.787 -0.201 1.00 3.16 H new ATOM 0 HG13 ILE A 85 4.844 -8.754 1.538 1.00 3.16 H new ATOM 0 HG21 ILE A 85 4.578 -10.945 -1.444 1.00 1.99 H new ATOM 0 HG22 ILE A 85 2.986 -11.561 -0.939 1.00 1.99 H new ATOM 0 HG23 ILE A 85 3.211 -9.823 -1.248 1.00 1.99 H new ATOM 0 HD11 ILE A 85 7.201 -9.027 0.956 1.00 3.97 H new ATOM 0 HD12 ILE A 85 6.597 -10.470 1.804 1.00 3.97 H new ATOM 0 HD13 ILE A 85 6.819 -10.504 0.039 1.00 3.97 H new ATOM 1282 N ARG A 86 3.894 -10.243 3.559 1.00 5.19 N ATOM 1283 CA ARG A 86 4.133 -10.669 4.942 1.00 6.32 C ATOM 1284 C ARG A 86 2.898 -10.430 5.775 1.00 7.11 C ATOM 1285 O ARG A 86 2.743 -10.988 6.867 1.00 7.98 O ATOM 1286 CB ARG A 86 5.246 -9.864 5.571 1.00 6.99 C ATOM 1287 CG ARG A 86 6.612 -10.093 4.929 1.00 7.36 C ATOM 1288 CD ARG A 86 7.706 -9.320 5.646 1.00 8.25 C ATOM 1289 NE ARG A 86 9.033 -9.596 5.085 1.00 8.76 N ATOM 1290 CZ ARG A 86 10.191 -9.180 5.619 1.00 9.65 C ATOM 1291 NH1 ARG A 86 10.214 -8.460 6.739 1.00 10.08 N ATOM 1292 NH2 ARG A 86 11.335 -9.490 5.025 1.00 10.26 N ATOM 0 H ARG A 86 4.523 -9.509 3.233 1.00 5.19 H new ATOM 0 HA ARG A 86 4.397 -11.726 4.914 1.00 6.32 H new ATOM 0 HB2 ARG A 86 4.997 -8.805 5.505 1.00 6.99 H new ATOM 0 HB3 ARG A 86 5.307 -10.112 6.631 1.00 6.99 H new ATOM 0 HG2 ARG A 86 6.848 -11.157 4.945 1.00 7.36 H new ATOM 0 HG3 ARG A 86 6.578 -9.790 3.883 1.00 7.36 H new ATOM 0 HD2 ARG A 86 7.499 -8.252 5.578 1.00 8.25 H new ATOM 0 HD3 ARG A 86 7.699 -9.580 6.705 1.00 8.25 H new ATOM 0 HE ARG A 86 9.078 -10.144 4.226 1.00 8.76 H new ATOM 0 HH11 ARG A 86 9.341 -8.216 7.206 1.00 10.08 H new ATOM 0 HH12 ARG A 86 11.105 -8.153 7.130 1.00 10.08 H new ATOM 0 HH21 ARG A 86 11.331 -10.042 4.167 1.00 10.26 H new ATOM 0 HH22 ARG A 86 12.219 -9.177 5.426 1.00 10.26 H new ATOM 1306 N GLU A 87 2.017 -9.592 5.227 1.00 6.95 N ATOM 1307 CA GLU A 87 0.809 -9.228 5.919 1.00 7.91 C ATOM 1308 C GLU A 87 -0.292 -10.267 5.668 1.00 7.97 C ATOM 1309 O GLU A 87 -1.184 -10.469 6.497 1.00 8.94 O ATOM 1310 CB GLU A 87 0.345 -7.827 5.504 1.00 8.02 C ATOM 1311 CG GLU A 87 -0.394 -7.070 6.600 1.00 8.75 C ATOM 1312 CD GLU A 87 -0.832 -5.687 6.159 1.00 9.11 C ATOM 1313 OE1 GLU A 87 -1.957 -5.560 5.633 1.00 9.62 O ATOM 1314 OE2 GLU A 87 -0.048 -4.731 6.340 1.00 9.05 O ATOM 0 H GLU A 87 2.129 -9.161 4.309 1.00 6.95 H new ATOM 0 HA GLU A 87 1.020 -9.209 6.988 1.00 7.91 H new ATOM 0 HB2 GLU A 87 1.213 -7.244 5.196 1.00 8.02 H new ATOM 0 HB3 GLU A 87 -0.306 -7.914 4.634 1.00 8.02 H new ATOM 0 HG2 GLU A 87 -1.269 -7.644 6.906 1.00 8.75 H new ATOM 0 HG3 GLU A 87 0.251 -6.981 7.474 1.00 8.75 H new ATOM 1321 N ALA A 88 -0.191 -10.910 4.500 1.00 7.00 N ATOM 1322 CA ALA A 88 -1.134 -11.938 4.053 1.00 7.06 C ATOM 1323 C ALA A 88 -0.697 -13.325 4.507 1.00 7.01 C ATOM 1324 O ALA A 88 -1.497 -14.109 4.991 1.00 7.73 O ATOM 1325 CB ALA A 88 -1.249 -11.915 2.545 1.00 6.21 C ATOM 0 H ALA A 88 0.557 -10.728 3.831 1.00 7.00 H new ATOM 0 HA ALA A 88 -2.104 -11.718 4.500 1.00 7.06 H new ATOM 0 HB1 ALA A 88 -1.952 -12.683 2.222 1.00 6.21 H new ATOM 0 HB2 ALA A 88 -1.606 -10.937 2.222 1.00 6.21 H new ATOM 0 HB3 ALA A 88 -0.272 -12.109 2.103 1.00 6.21 H new ATOM 1331 N PHE A 89 0.577 -13.637 4.277 1.00 6.21 N ATOM 1332 CA PHE A 89 1.193 -14.908 4.687 1.00 6.21 C ATOM 1333 C PHE A 89 0.889 -15.320 6.137 1.00 7.49 C ATOM 1334 O PHE A 89 1.049 -16.486 6.497 1.00 7.70 O ATOM 1335 CB PHE A 89 2.689 -14.827 4.417 1.00 5.56 C ATOM 1336 CG PHE A 89 2.958 -15.016 2.966 1.00 4.24 C ATOM 1337 CD1 PHE A 89 3.305 -16.259 2.490 1.00 3.84 C ATOM 1338 CD2 PHE A 89 2.792 -13.970 2.065 1.00 3.79 C ATOM 1339 CE1 PHE A 89 3.482 -16.463 1.157 1.00 2.77 C ATOM 1340 CE2 PHE A 89 2.983 -14.163 0.738 1.00 2.72 C ATOM 1341 CZ PHE A 89 3.326 -15.415 0.283 1.00 1.93 C ATOM 0 H PHE A 89 1.222 -13.011 3.796 1.00 6.21 H new ATOM 0 HA PHE A 89 0.745 -15.703 4.091 1.00 6.21 H new ATOM 0 HB2 PHE A 89 3.073 -13.861 4.743 1.00 5.56 H new ATOM 0 HB3 PHE A 89 3.212 -15.589 4.994 1.00 5.56 H new ATOM 0 HD1 PHE A 89 3.438 -17.079 3.180 1.00 3.84 H new ATOM 0 HD2 PHE A 89 2.508 -12.993 2.427 1.00 3.79 H new ATOM 0 HE1 PHE A 89 3.744 -17.444 0.788 1.00 2.77 H new ATOM 0 HE2 PHE A 89 2.867 -13.343 0.045 1.00 2.72 H new ATOM 0 HZ PHE A 89 3.474 -15.576 -0.775 1.00 1.93 H new ATOM 1351 N ARG A 90 0.448 -14.362 6.960 1.00 8.36 N ATOM 1352 CA ARG A 90 0.070 -14.645 8.348 1.00 9.63 C ATOM 1353 C ARG A 90 -1.316 -15.318 8.404 1.00 10.20 C ATOM 1354 O ARG A 90 -1.752 -15.770 9.469 1.00 11.20 O ATOM 1355 CB ARG A 90 0.062 -13.355 9.177 1.00 10.38 C ATOM 1356 CG ARG A 90 1.452 -12.810 9.484 1.00 10.73 C ATOM 1357 CD ARG A 90 1.390 -11.537 10.317 1.00 11.51 C ATOM 1358 NE ARG A 90 1.027 -11.802 11.716 1.00 12.01 N ATOM 1359 CZ ARG A 90 0.955 -10.870 12.677 1.00 12.77 C ATOM 1360 NH1 ARG A 90 1.217 -9.590 12.417 1.00 13.10 N ATOM 1361 NH2 ARG A 90 0.617 -11.225 13.909 1.00 13.29 N ATOM 0 H ARG A 90 0.344 -13.384 6.688 1.00 8.36 H new ATOM 0 HA ARG A 90 0.808 -15.327 8.770 1.00 9.63 H new ATOM 0 HB2 ARG A 90 -0.506 -12.594 8.642 1.00 10.38 H new ATOM 0 HB3 ARG A 90 -0.460 -13.541 10.116 1.00 10.38 H new ATOM 0 HG2 ARG A 90 2.029 -13.566 10.018 1.00 10.73 H new ATOM 0 HG3 ARG A 90 1.977 -12.608 8.551 1.00 10.73 H new ATOM 0 HD2 ARG A 90 2.358 -11.036 10.284 1.00 11.51 H new ATOM 0 HD3 ARG A 90 0.663 -10.854 9.879 1.00 11.51 H new ATOM 0 HE ARG A 90 0.814 -12.765 11.975 1.00 12.01 H new ATOM 0 HH11 ARG A 90 1.478 -9.304 11.473 1.00 13.10 H new ATOM 0 HH12 ARG A 90 1.157 -8.896 13.162 1.00 13.10 H new ATOM 0 HH21 ARG A 90 0.414 -12.202 14.121 1.00 13.29 H new ATOM 0 HH22 ARG A 90 0.560 -10.521 14.645 1.00 13.29 H new ATOM 1375 N VAL A 91 -1.994 -15.381 7.239 1.00 9.66 N ATOM 1376 CA VAL A 91 -3.303 -15.978 7.115 1.00 10.29 C ATOM 1377 C VAL A 91 -3.222 -17.394 6.545 1.00 9.81 C ATOM 1378 O VAL A 91 -3.783 -18.338 7.108 1.00 10.52 O ATOM 1379 CB VAL A 91 -4.240 -15.164 6.191 1.00 10.33 C ATOM 1380 CG1 VAL A 91 -5.676 -15.186 6.702 1.00 11.64 C ATOM 1381 CG2 VAL A 91 -3.775 -13.729 5.964 1.00 9.85 C ATOM 0 H VAL A 91 -1.629 -15.011 6.362 1.00 9.66 H new ATOM 0 HA VAL A 91 -3.708 -15.993 8.127 1.00 10.29 H new ATOM 0 HB VAL A 91 -4.201 -15.659 5.221 1.00 10.33 H new ATOM 0 HG11 VAL A 91 -6.310 -14.605 6.032 1.00 11.64 H new ATOM 0 HG12 VAL A 91 -6.033 -16.215 6.739 1.00 11.64 H new ATOM 0 HG13 VAL A 91 -5.713 -14.753 7.702 1.00 11.64 H new ATOM 0 HG21 VAL A 91 -4.479 -13.218 5.307 1.00 9.85 H new ATOM 0 HG22 VAL A 91 -3.726 -13.207 6.920 1.00 9.85 H new ATOM 0 HG23 VAL A 91 -2.787 -13.735 5.503 1.00 9.85 H new ATOM 1391 N PHE A 92 -2.514 -17.512 5.423 1.00 8.63 N ATOM 1392 CA PHE A 92 -2.379 -18.785 4.698 1.00 8.08 C ATOM 1393 C PHE A 92 -1.110 -19.550 5.068 1.00 7.58 C ATOM 1394 O PHE A 92 -1.095 -20.784 5.022 1.00 7.57 O ATOM 1395 CB PHE A 92 -2.324 -18.524 3.184 1.00 7.14 C ATOM 1396 CG PHE A 92 -3.270 -17.468 2.658 1.00 7.60 C ATOM 1397 CD1 PHE A 92 -4.425 -17.831 1.986 1.00 7.95 C ATOM 1398 CD2 PHE A 92 -2.975 -16.114 2.794 1.00 7.88 C ATOM 1399 CE1 PHE A 92 -5.266 -16.870 1.459 1.00 8.45 C ATOM 1400 CE2 PHE A 92 -3.811 -15.155 2.275 1.00 8.39 C ATOM 1401 CZ PHE A 92 -4.957 -15.530 1.601 1.00 8.62 C ATOM 0 H PHE A 92 -2.018 -16.734 4.988 1.00 8.63 H new ATOM 0 HA PHE A 92 -3.246 -19.383 4.978 1.00 8.08 H new ATOM 0 HB2 PHE A 92 -1.306 -18.235 2.922 1.00 7.14 H new ATOM 0 HB3 PHE A 92 -2.532 -19.460 2.666 1.00 7.14 H new ATOM 0 HD1 PHE A 92 -4.671 -18.876 1.873 1.00 7.95 H new ATOM 0 HD2 PHE A 92 -2.077 -15.814 3.314 1.00 7.88 H new ATOM 0 HE1 PHE A 92 -6.164 -17.165 0.937 1.00 8.45 H new ATOM 0 HE2 PHE A 92 -3.572 -14.108 2.394 1.00 8.39 H new ATOM 0 HZ PHE A 92 -5.611 -14.777 1.186 1.00 8.62 H new ATOM 1411 N ALA A 93 -0.058 -18.819 5.433 1.00 7.32 N ATOM 1412 CA ALA A 93 1.213 -19.426 5.814 1.00 7.11 C ATOM 1413 C ALA A 93 1.344 -19.447 7.340 1.00 8.33 C ATOM 1414 O ALA A 93 0.600 -18.745 8.034 1.00 8.83 O ATOM 1415 CB ALA A 93 2.373 -18.696 5.121 1.00 6.22 C ATOM 0 H ALA A 93 -0.063 -17.800 5.472 1.00 7.32 H new ATOM 0 HA ALA A 93 1.249 -20.463 5.479 1.00 7.11 H new ATOM 0 HB1 ALA A 93 3.318 -19.156 5.411 1.00 6.22 H new ATOM 0 HB2 ALA A 93 2.253 -18.766 4.040 1.00 6.22 H new ATOM 0 HB3 ALA A 93 2.373 -17.648 5.419 1.00 6.22 H new ATOM 1421 N LYS A 94 2.285 -20.268 7.857 1.00 8.92 N ATOM 1422 CA LYS A 94 2.535 -20.432 9.317 1.00 10.13 C ATOM 1423 C LYS A 94 1.428 -21.268 10.002 1.00 10.64 C ATOM 1424 O LYS A 94 1.322 -21.286 11.235 1.00 11.32 O ATOM 1425 CB LYS A 94 2.685 -19.070 10.044 1.00 10.90 C ATOM 1426 CG LYS A 94 3.997 -18.349 9.756 1.00 11.36 C ATOM 1427 CD LYS A 94 3.934 -17.564 8.454 1.00 11.16 C ATOM 1428 CE LYS A 94 5.199 -17.746 7.641 1.00 10.61 C ATOM 1429 NZ LYS A 94 5.165 -16.949 6.384 1.00 11.01 N ATOM 0 H LYS A 94 2.898 -20.840 7.276 1.00 8.92 H new ATOM 0 HA LYS A 94 3.480 -20.970 9.399 1.00 10.13 H new ATOM 0 HB2 LYS A 94 1.857 -18.423 9.754 1.00 10.90 H new ATOM 0 HB3 LYS A 94 2.601 -19.233 11.118 1.00 10.90 H new ATOM 0 HG2 LYS A 94 4.228 -17.672 10.578 1.00 11.36 H new ATOM 0 HG3 LYS A 94 4.808 -19.076 9.704 1.00 11.36 H new ATOM 0 HD2 LYS A 94 3.074 -17.892 7.870 1.00 11.16 H new ATOM 0 HD3 LYS A 94 3.788 -16.506 8.671 1.00 11.16 H new ATOM 0 HE2 LYS A 94 6.061 -17.448 8.238 1.00 10.61 H new ATOM 0 HE3 LYS A 94 5.328 -18.801 7.400 1.00 10.61 H new ATOM 0 HZ1 LYS A 94 6.111 -16.562 6.193 1.00 11.01 H new ATOM 0 HZ2 LYS A 94 4.875 -17.559 5.594 1.00 11.01 H new ATOM 0 HZ3 LYS A 94 4.485 -16.168 6.486 1.00 11.01 H new ATOM 1443 N ASP A 95 0.627 -21.978 9.191 1.00 10.41 N ATOM 1444 CA ASP A 95 -0.481 -22.798 9.689 1.00 10.95 C ATOM 1445 C ASP A 95 -0.048 -24.222 10.074 1.00 11.36 C ATOM 1446 O ASP A 95 -0.874 -25.141 10.164 1.00 11.72 O ATOM 1447 CB ASP A 95 -1.621 -22.819 8.658 1.00 10.75 C ATOM 1448 CG ASP A 95 -2.983 -23.053 9.290 1.00 10.79 C ATOM 1449 OD1 ASP A 95 -3.644 -22.061 9.662 1.00 11.08 O ATOM 1450 OD2 ASP A 95 -3.386 -24.229 9.412 1.00 10.72 O ATOM 0 H ASP A 95 0.731 -21.998 8.177 1.00 10.41 H new ATOM 0 HA ASP A 95 -0.840 -22.337 10.609 1.00 10.95 H new ATOM 0 HB2 ASP A 95 -1.634 -21.872 8.118 1.00 10.75 H new ATOM 0 HB3 ASP A 95 -1.427 -23.601 7.924 1.00 10.75 H new ATOM 1455 N GLY A 96 1.242 -24.374 10.320 1.00 11.41 N ATOM 1456 CA GLY A 96 1.809 -25.669 10.688 1.00 11.89 C ATOM 1457 C GLY A 96 3.204 -25.855 10.160 1.00 11.67 C ATOM 1458 O GLY A 96 3.443 -25.654 8.966 1.00 11.82 O ATOM 0 H GLY A 96 1.923 -23.616 10.272 1.00 11.41 H new ATOM 0 HA2 GLY A 96 1.819 -25.763 11.774 1.00 11.89 H new ATOM 0 HA3 GLY A 96 1.170 -26.464 10.305 1.00 11.89 H new ATOM 1462 N ASN A 97 4.132 -26.263 11.060 1.00 11.48 N ATOM 1463 CA ASN A 97 5.557 -26.501 10.732 1.00 11.39 C ATOM 1464 C ASN A 97 6.298 -25.223 10.317 1.00 11.24 C ATOM 1465 O ASN A 97 7.512 -25.098 10.507 1.00 11.69 O ATOM 1466 CB ASN A 97 5.636 -27.544 9.632 1.00 10.47 C ATOM 1467 CG ASN A 97 6.837 -28.461 9.761 1.00 10.82 C ATOM 1468 OD1 ASN A 97 6.766 -29.510 10.403 1.00 11.12 O ATOM 1469 ND2 ASN A 97 7.950 -28.069 9.151 1.00 10.95 N ATOM 0 H ASN A 97 3.910 -26.437 12.040 1.00 11.48 H new ATOM 0 HA ASN A 97 6.055 -26.858 11.634 1.00 11.39 H new ATOM 0 HB2 ASN A 97 4.726 -28.144 9.644 1.00 10.47 H new ATOM 0 HB3 ASN A 97 5.674 -27.041 8.666 1.00 10.47 H new ATOM 0 HD21 ASN A 97 8.790 -28.645 9.204 1.00 10.95 H new ATOM 0 HD22 ASN A 97 7.964 -27.192 8.630 1.00 10.95 H new ATOM 1476 N GLY A 98 5.535 -24.301 9.757 1.00 10.71 N ATOM 1477 CA GLY A 98 6.042 -23.022 9.297 1.00 10.57 C ATOM 1478 C GLY A 98 6.066 -22.914 7.782 1.00 9.35 C ATOM 1479 O GLY A 98 6.155 -21.809 7.249 1.00 9.23 O ATOM 0 H GLY A 98 4.533 -24.422 9.607 1.00 10.71 H new ATOM 0 HA2 GLY A 98 5.424 -22.222 9.705 1.00 10.57 H new ATOM 0 HA3 GLY A 98 7.050 -22.874 9.684 1.00 10.57 H new ATOM 1483 N TYR A 99 5.914 -24.057 7.089 1.00 8.53 N ATOM 1484 CA TYR A 99 5.908 -24.098 5.629 1.00 7.35 C ATOM 1485 C TYR A 99 4.558 -23.642 5.071 1.00 6.60 C ATOM 1486 O TYR A 99 3.525 -23.780 5.733 1.00 6.68 O ATOM 1487 CB TYR A 99 6.177 -25.524 5.112 1.00 7.03 C ATOM 1488 CG TYR A 99 7.634 -25.941 5.048 1.00 7.42 C ATOM 1489 CD1 TYR A 99 8.311 -26.037 3.824 1.00 7.29 C ATOM 1490 CD2 TYR A 99 8.327 -26.274 6.207 1.00 8.16 C ATOM 1491 CE1 TYR A 99 9.630 -26.450 3.778 1.00 7.85 C ATOM 1492 CE2 TYR A 99 9.647 -26.680 6.160 1.00 8.71 C ATOM 1493 CZ TYR A 99 10.292 -26.767 4.945 1.00 8.53 C ATOM 1494 OH TYR A 99 11.604 -27.177 4.897 1.00 9.21 O ATOM 0 H TYR A 99 5.793 -24.969 7.529 1.00 8.53 H new ATOM 0 HA TYR A 99 6.697 -23.425 5.293 1.00 7.35 H new ATOM 0 HB2 TYR A 99 5.645 -26.228 5.752 1.00 7.03 H new ATOM 0 HB3 TYR A 99 5.749 -25.615 4.114 1.00 7.03 H new ATOM 0 HD1 TYR A 99 7.797 -25.786 2.908 1.00 7.29 H new ATOM 0 HD2 TYR A 99 7.824 -26.214 7.161 1.00 8.16 H new ATOM 0 HE1 TYR A 99 10.141 -26.524 2.829 1.00 7.85 H new ATOM 0 HE2 TYR A 99 10.171 -26.928 7.071 1.00 8.71 H new ATOM 0 HH TYR A 99 11.923 -27.361 5.805 1.00 9.21 H new ATOM 1504 N ILE A 100 4.587 -23.104 3.856 1.00 6.19 N ATOM 1505 CA ILE A 100 3.380 -22.660 3.163 1.00 5.73 C ATOM 1506 C ILE A 100 3.239 -23.454 1.868 1.00 4.64 C ATOM 1507 O ILE A 100 4.179 -23.512 1.070 1.00 4.17 O ATOM 1508 CB ILE A 100 3.377 -21.109 2.904 1.00 5.84 C ATOM 1509 CG1 ILE A 100 2.197 -20.642 2.014 1.00 5.96 C ATOM 1510 CG2 ILE A 100 4.695 -20.629 2.294 1.00 5.70 C ATOM 1511 CD1 ILE A 100 0.812 -20.855 2.601 1.00 6.65 C ATOM 0 H ILE A 100 5.446 -22.963 3.324 1.00 6.19 H new ATOM 0 HA ILE A 100 2.516 -22.851 3.800 1.00 5.73 H new ATOM 0 HB ILE A 100 3.252 -20.657 3.888 1.00 5.84 H new ATOM 0 HG12 ILE A 100 2.323 -19.580 1.801 1.00 5.96 H new ATOM 0 HG13 ILE A 100 2.253 -21.167 1.061 1.00 5.96 H new ATOM 0 HG21 ILE A 100 4.650 -19.552 2.131 1.00 5.70 H new ATOM 0 HG22 ILE A 100 5.516 -20.859 2.973 1.00 5.70 H new ATOM 0 HG23 ILE A 100 4.860 -21.133 1.342 1.00 5.70 H new ATOM 0 HD11 ILE A 100 0.060 -20.495 1.899 1.00 6.65 H new ATOM 0 HD12 ILE A 100 0.655 -21.917 2.787 1.00 6.65 H new ATOM 0 HD13 ILE A 100 0.726 -20.306 3.539 1.00 6.65 H new ATOM 1523 N SER A 101 2.061 -24.056 1.664 1.00 4.56 N ATOM 1524 CA SER A 101 1.811 -24.868 0.479 1.00 3.87 C ATOM 1525 C SER A 101 1.870 -24.057 -0.803 1.00 3.18 C ATOM 1526 O SER A 101 1.504 -22.879 -0.834 1.00 3.33 O ATOM 1527 CB SER A 101 0.484 -25.611 0.566 1.00 4.59 C ATOM 1528 OG SER A 101 0.299 -26.197 1.843 1.00 5.48 O ATOM 0 H SER A 101 1.271 -23.993 2.306 1.00 4.56 H new ATOM 0 HA SER A 101 2.616 -25.603 0.448 1.00 3.87 H new ATOM 0 HB2 SER A 101 -0.334 -24.921 0.359 1.00 4.59 H new ATOM 0 HB3 SER A 101 0.449 -26.386 -0.200 1.00 4.59 H new ATOM 0 HG SER A 101 -0.532 -25.861 2.240 1.00 5.48 H new ATOM 1534 N ALA A 102 2.340 -24.725 -1.854 1.00 2.74 N ATOM 1535 CA ALA A 102 2.494 -24.116 -3.184 1.00 2.63 C ATOM 1536 C ALA A 102 1.159 -23.704 -3.813 1.00 3.39 C ATOM 1537 O ALA A 102 1.135 -22.846 -4.691 1.00 3.61 O ATOM 1538 CB ALA A 102 3.224 -25.070 -4.115 1.00 3.06 C ATOM 0 H ALA A 102 2.626 -25.703 -1.813 1.00 2.74 H new ATOM 0 HA ALA A 102 3.078 -23.206 -3.044 1.00 2.63 H new ATOM 0 HB1 ALA A 102 3.332 -24.609 -5.097 1.00 3.06 H new ATOM 0 HB2 ALA A 102 4.210 -25.292 -3.708 1.00 3.06 H new ATOM 0 HB3 ALA A 102 2.654 -25.994 -4.209 1.00 3.06 H new ATOM 1544 N ALA A 103 0.061 -24.314 -3.349 1.00 4.09 N ATOM 1545 CA ALA A 103 -1.282 -24.028 -3.873 1.00 5.20 C ATOM 1546 C ALA A 103 -1.931 -22.796 -3.227 1.00 5.47 C ATOM 1547 O ALA A 103 -2.863 -22.222 -3.797 1.00 6.33 O ATOM 1548 CB ALA A 103 -2.177 -25.244 -3.690 1.00 5.96 C ATOM 0 H ALA A 103 0.077 -25.013 -2.607 1.00 4.09 H new ATOM 0 HA ALA A 103 -1.167 -23.802 -4.933 1.00 5.20 H new ATOM 0 HB1 ALA A 103 -3.171 -25.026 -4.080 1.00 5.96 H new ATOM 0 HB2 ALA A 103 -1.754 -26.092 -4.229 1.00 5.96 H new ATOM 0 HB3 ALA A 103 -2.249 -25.487 -2.630 1.00 5.96 H new ATOM 1554 N GLU A 104 -1.439 -22.395 -2.044 1.00 4.91 N ATOM 1555 CA GLU A 104 -1.993 -21.242 -1.319 1.00 5.33 C ATOM 1556 C GLU A 104 -1.384 -19.906 -1.764 1.00 4.76 C ATOM 1557 O GLU A 104 -2.092 -18.902 -1.805 1.00 5.38 O ATOM 1558 CB GLU A 104 -1.813 -21.422 0.191 1.00 5.44 C ATOM 1559 CG GLU A 104 -2.844 -22.342 0.839 1.00 6.31 C ATOM 1560 CD GLU A 104 -2.529 -23.817 0.656 1.00 6.92 C ATOM 1561 OE1 GLU A 104 -2.680 -24.321 -0.477 1.00 7.26 O ATOM 1562 OE2 GLU A 104 -2.136 -24.466 1.648 1.00 7.37 O ATOM 0 H GLU A 104 -0.660 -22.852 -1.570 1.00 4.91 H new ATOM 0 HA GLU A 104 -3.055 -21.205 -1.561 1.00 5.33 H new ATOM 0 HB2 GLU A 104 -0.816 -21.820 0.382 1.00 5.44 H new ATOM 0 HB3 GLU A 104 -1.863 -20.444 0.671 1.00 5.44 H new ATOM 0 HG2 GLU A 104 -2.902 -22.119 1.904 1.00 6.31 H new ATOM 0 HG3 GLU A 104 -3.826 -22.132 0.416 1.00 6.31 H new ATOM 1569 N LEU A 105 -0.069 -19.890 -2.060 1.00 3.64 N ATOM 1570 CA LEU A 105 0.650 -18.679 -2.517 1.00 3.09 C ATOM 1571 C LEU A 105 -0.052 -17.913 -3.607 1.00 4.03 C ATOM 1572 O LEU A 105 -0.142 -16.684 -3.547 1.00 4.13 O ATOM 1573 CB LEU A 105 2.034 -19.045 -3.049 1.00 2.35 C ATOM 1574 CG LEU A 105 2.867 -19.993 -2.168 1.00 1.65 C ATOM 1575 CD1 LEU A 105 4.018 -20.598 -2.950 1.00 2.00 C ATOM 1576 CD2 LEU A 105 3.387 -19.253 -0.949 1.00 1.38 C ATOM 0 H LEU A 105 0.526 -20.715 -1.990 1.00 3.64 H new ATOM 0 HA LEU A 105 0.703 -18.044 -1.633 1.00 3.09 H new ATOM 0 HB2 LEU A 105 1.914 -19.504 -4.030 1.00 2.35 H new ATOM 0 HB3 LEU A 105 2.600 -18.125 -3.195 1.00 2.35 H new ATOM 0 HG LEU A 105 2.221 -20.807 -1.839 1.00 1.65 H new ATOM 0 HD11 LEU A 105 4.589 -21.263 -2.302 1.00 2.00 H new ATOM 0 HD12 LEU A 105 3.626 -21.164 -3.795 1.00 2.00 H new ATOM 0 HD13 LEU A 105 4.667 -19.803 -3.315 1.00 2.00 H new ATOM 0 HD21 LEU A 105 3.975 -19.934 -0.333 1.00 1.38 H new ATOM 0 HD22 LEU A 105 4.014 -18.420 -1.269 1.00 1.38 H new ATOM 0 HD23 LEU A 105 2.547 -18.873 -0.368 1.00 1.38 H new ATOM 1588 N ARG A 106 -0.531 -18.638 -4.607 1.00 4.83 N ATOM 1589 CA ARG A 106 -1.223 -18.011 -5.724 1.00 5.95 C ATOM 1590 C ARG A 106 -2.496 -17.359 -5.231 1.00 6.65 C ATOM 1591 O ARG A 106 -2.997 -16.416 -5.824 1.00 7.39 O ATOM 1592 CB ARG A 106 -1.550 -18.996 -6.857 1.00 6.81 C ATOM 1593 CG ARG A 106 -0.369 -19.825 -7.373 1.00 6.46 C ATOM 1594 CD ARG A 106 -0.240 -21.123 -6.619 1.00 5.99 C ATOM 1595 NE ARG A 106 0.679 -22.055 -7.283 1.00 6.40 N ATOM 1596 CZ ARG A 106 0.409 -23.343 -7.545 1.00 6.89 C ATOM 1597 NH1 ARG A 106 -0.759 -23.887 -7.206 1.00 7.08 N ATOM 1598 NH2 ARG A 106 1.319 -24.091 -8.154 1.00 7.37 N ATOM 0 H ARG A 106 -0.454 -19.653 -4.669 1.00 4.83 H new ATOM 0 HA ARG A 106 -0.547 -17.263 -6.139 1.00 5.95 H new ATOM 0 HB2 ARG A 106 -2.326 -19.678 -6.509 1.00 6.81 H new ATOM 0 HB3 ARG A 106 -1.970 -18.435 -7.692 1.00 6.81 H new ATOM 0 HG2 ARG A 106 -0.503 -20.031 -8.435 1.00 6.46 H new ATOM 0 HG3 ARG A 106 0.552 -19.251 -7.273 1.00 6.46 H new ATOM 0 HD2 ARG A 106 0.115 -20.922 -5.608 1.00 5.99 H new ATOM 0 HD3 ARG A 106 -1.222 -21.587 -6.525 1.00 5.99 H new ATOM 0 HE ARG A 106 1.591 -21.697 -7.566 1.00 6.40 H new ATOM 0 HH11 ARG A 106 -1.468 -23.322 -6.738 1.00 7.08 H new ATOM 0 HH12 ARG A 106 -0.944 -24.868 -7.414 1.00 7.08 H new ATOM 0 HH21 ARG A 106 2.217 -23.686 -8.420 1.00 7.37 H new ATOM 0 HH22 ARG A 106 1.121 -25.071 -8.357 1.00 7.37 H new ATOM 1612 N HIS A 107 -3.009 -17.914 -4.146 1.00 6.60 N ATOM 1613 CA HIS A 107 -4.171 -17.392 -3.470 1.00 7.43 C ATOM 1614 C HIS A 107 -3.752 -16.279 -2.499 1.00 6.90 C ATOM 1615 O HIS A 107 -4.590 -15.483 -2.085 1.00 7.61 O ATOM 1616 CB HIS A 107 -4.920 -18.500 -2.723 1.00 8.00 C ATOM 1617 CG HIS A 107 -5.666 -19.436 -3.625 1.00 8.87 C ATOM 1618 ND1 HIS A 107 -7.029 -19.364 -3.823 1.00 9.79 N ATOM 1619 CD2 HIS A 107 -5.232 -20.471 -4.383 1.00 9.07 C ATOM 1620 CE1 HIS A 107 -7.401 -20.314 -4.662 1.00 10.41 C ATOM 1621 NE2 HIS A 107 -6.330 -20.998 -5.017 1.00 10.03 N ATOM 0 H HIS A 107 -2.621 -18.750 -3.709 1.00 6.60 H new ATOM 0 HA HIS A 107 -4.848 -16.978 -4.218 1.00 7.43 H new ATOM 0 HB2 HIS A 107 -4.207 -19.072 -2.130 1.00 8.00 H new ATOM 0 HB3 HIS A 107 -5.623 -18.045 -2.025 1.00 8.00 H new ATOM 0 HD2 HIS A 107 -4.213 -20.817 -4.472 1.00 9.07 H new ATOM 0 HE1 HIS A 107 -8.410 -20.499 -5.000 1.00 10.41 H new ATOM 0 HE2 HIS A 107 -6.319 -21.791 -5.659 1.00 10.03 H new ATOM 1630 N VAL A 108 -2.442 -16.237 -2.133 1.00 5.69 N ATOM 1631 CA VAL A 108 -1.922 -15.219 -1.220 1.00 5.20 C ATOM 1632 C VAL A 108 -1.550 -13.940 -1.948 1.00 4.84 C ATOM 1633 O VAL A 108 -2.123 -12.883 -1.675 1.00 5.36 O ATOM 1634 CB VAL A 108 -0.674 -15.735 -0.433 1.00 4.27 C ATOM 1635 CG1 VAL A 108 -0.117 -14.666 0.499 1.00 4.16 C ATOM 1636 CG2 VAL A 108 -0.966 -17.020 0.327 1.00 4.80 C ATOM 0 H VAL A 108 -1.741 -16.900 -2.463 1.00 5.69 H new ATOM 0 HA VAL A 108 -2.727 -15.004 -0.518 1.00 5.20 H new ATOM 0 HB VAL A 108 0.090 -15.964 -1.176 1.00 4.27 H new ATOM 0 HG11 VAL A 108 0.750 -15.061 1.029 1.00 4.16 H new ATOM 0 HG12 VAL A 108 0.181 -13.794 -0.084 1.00 4.16 H new ATOM 0 HG13 VAL A 108 -0.882 -14.377 1.219 1.00 4.16 H new ATOM 0 HG21 VAL A 108 -0.070 -17.340 0.858 1.00 4.80 H new ATOM 0 HG22 VAL A 108 -1.769 -16.845 1.043 1.00 4.80 H new ATOM 0 HG23 VAL A 108 -1.269 -17.797 -0.375 1.00 4.80 H new ATOM 1646 N MET A 109 -0.566 -14.042 -2.834 1.00 4.11 N ATOM 1647 CA MET A 109 -0.124 -12.901 -3.647 1.00 4.08 C ATOM 1648 C MET A 109 -1.318 -12.302 -4.385 1.00 5.33 C ATOM 1649 O MET A 109 -1.383 -11.086 -4.584 1.00 5.53 O ATOM 1650 CB MET A 109 1.000 -13.302 -4.598 1.00 3.81 C ATOM 1651 CG MET A 109 2.364 -13.319 -3.907 1.00 2.70 C ATOM 1652 SD MET A 109 3.733 -13.706 -5.012 1.00 3.27 S ATOM 1653 CE MET A 109 3.533 -15.470 -5.213 1.00 3.46 C ATOM 0 H MET A 109 -0.053 -14.905 -3.013 1.00 4.11 H new ATOM 0 HA MET A 109 0.287 -12.134 -2.991 1.00 4.08 H new ATOM 0 HB2 MET A 109 0.791 -14.290 -5.009 1.00 3.81 H new ATOM 0 HB3 MET A 109 1.029 -12.607 -5.437 1.00 3.81 H new ATOM 0 HG2 MET A 109 2.542 -12.345 -3.450 1.00 2.70 H new ATOM 0 HG3 MET A 109 2.343 -14.051 -3.099 1.00 2.70 H new ATOM 0 HE1 MET A 109 3.797 -15.752 -6.232 1.00 3.46 H new ATOM 0 HE2 MET A 109 4.184 -15.992 -4.512 1.00 3.46 H new ATOM 0 HE3 MET A 109 2.496 -15.743 -5.018 1.00 3.46 H new ATOM 1663 N THR A 110 -2.261 -13.177 -4.794 1.00 6.20 N ATOM 1664 CA THR A 110 -3.517 -12.712 -5.400 1.00 7.45 C ATOM 1665 C THR A 110 -4.418 -12.043 -4.329 1.00 7.80 C ATOM 1666 O THR A 110 -5.113 -11.073 -4.637 1.00 8.54 O ATOM 1667 CB THR A 110 -4.283 -13.865 -6.081 1.00 8.32 C ATOM 1668 OG1 THR A 110 -3.438 -14.485 -7.056 1.00 8.16 O ATOM 1669 CG2 THR A 110 -5.561 -13.391 -6.776 1.00 9.65 C ATOM 0 H THR A 110 -2.176 -14.190 -4.716 1.00 6.20 H new ATOM 0 HA THR A 110 -3.259 -11.980 -6.165 1.00 7.45 H new ATOM 0 HB THR A 110 -4.567 -14.569 -5.298 1.00 8.32 H new ATOM 0 HG1 THR A 110 -3.362 -15.442 -6.862 1.00 8.16 H new ATOM 0 HG21 THR A 110 -6.061 -14.242 -7.239 1.00 9.65 H new ATOM 0 HG22 THR A 110 -6.226 -12.934 -6.043 1.00 9.65 H new ATOM 0 HG23 THR A 110 -5.308 -12.658 -7.542 1.00 9.65 H new ATOM 1677 N ASN A 111 -4.410 -12.566 -3.076 1.00 7.42 N ATOM 1678 CA ASN A 111 -5.225 -11.973 -1.993 1.00 8.00 C ATOM 1679 C ASN A 111 -4.524 -10.771 -1.333 1.00 7.57 C ATOM 1680 O ASN A 111 -5.080 -10.133 -0.432 1.00 8.26 O ATOM 1681 CB ASN A 111 -5.568 -13.023 -0.933 1.00 7.98 C ATOM 1682 CG ASN A 111 -6.990 -13.534 -1.064 1.00 9.16 C ATOM 1683 OD1 ASN A 111 -7.913 -12.995 -0.453 1.00 9.84 O ATOM 1684 ND2 ASN A 111 -7.175 -14.576 -1.866 1.00 9.58 N ATOM 0 H ASN A 111 -3.860 -13.379 -2.798 1.00 7.42 H new ATOM 0 HA ASN A 111 -6.146 -11.612 -2.451 1.00 8.00 H new ATOM 0 HB2 ASN A 111 -4.875 -13.860 -1.017 1.00 7.98 H new ATOM 0 HB3 ASN A 111 -5.429 -12.593 0.059 1.00 7.98 H new ATOM 0 HD21 ASN A 111 -8.111 -14.961 -1.995 1.00 9.58 H new ATOM 0 HD22 ASN A 111 -6.381 -14.992 -2.353 1.00 9.58 H new ATOM 1691 N LEU A 112 -3.304 -10.468 -1.804 1.00 6.48 N ATOM 1692 CA LEU A 112 -2.475 -9.371 -1.286 1.00 6.02 C ATOM 1693 C LEU A 112 -3.177 -7.992 -1.339 1.00 6.50 C ATOM 1694 O LEU A 112 -2.929 -7.144 -0.477 1.00 6.87 O ATOM 1695 CB LEU A 112 -1.104 -9.406 -2.029 1.00 4.81 C ATOM 1696 CG LEU A 112 -0.468 -8.074 -2.470 1.00 4.44 C ATOM 1697 CD1 LEU A 112 1.010 -8.259 -2.785 1.00 4.55 C ATOM 1698 CD2 LEU A 112 -1.191 -7.533 -3.686 1.00 4.77 C ATOM 0 H LEU A 112 -2.861 -10.985 -2.564 1.00 6.48 H new ATOM 0 HA LEU A 112 -2.304 -9.521 -0.220 1.00 6.02 H new ATOM 0 HB2 LEU A 112 -0.390 -9.915 -1.382 1.00 4.81 H new ATOM 0 HB3 LEU A 112 -1.225 -10.025 -2.918 1.00 4.81 H new ATOM 0 HG LEU A 112 -0.559 -7.361 -1.650 1.00 4.44 H new ATOM 0 HD11 LEU A 112 1.438 -7.306 -3.094 1.00 4.55 H new ATOM 0 HD12 LEU A 112 1.529 -8.619 -1.897 1.00 4.55 H new ATOM 0 HD13 LEU A 112 1.122 -8.985 -3.590 1.00 4.55 H new ATOM 0 HD21 LEU A 112 -0.735 -6.591 -3.991 1.00 4.77 H new ATOM 0 HD22 LEU A 112 -1.119 -8.252 -4.502 1.00 4.77 H new ATOM 0 HD23 LEU A 112 -2.240 -7.366 -3.441 1.00 4.77 H new ATOM 1710 N GLY A 113 -4.044 -7.786 -2.339 1.00 6.67 N ATOM 1711 CA GLY A 113 -4.752 -6.515 -2.477 1.00 7.40 C ATOM 1712 C GLY A 113 -4.832 -6.056 -3.914 1.00 8.34 C ATOM 1713 O GLY A 113 -5.909 -6.056 -4.513 1.00 8.64 O ATOM 0 H GLY A 113 -4.268 -8.477 -3.055 1.00 6.67 H new ATOM 0 HA2 GLY A 113 -5.760 -6.617 -2.074 1.00 7.40 H new ATOM 0 HA3 GLY A 113 -4.247 -5.754 -1.882 1.00 7.40 H new ATOM 1717 N GLU A 114 -3.676 -5.652 -4.455 1.00 8.94 N ATOM 1718 CA GLU A 114 -3.549 -5.212 -5.857 1.00 10.00 C ATOM 1719 C GLU A 114 -3.560 -6.422 -6.775 1.00 10.47 C ATOM 1720 O GLU A 114 -3.670 -6.315 -7.998 1.00 11.33 O ATOM 1721 CB GLU A 114 -2.238 -4.471 -6.038 1.00 10.43 C ATOM 1722 CG GLU A 114 -2.213 -3.079 -5.420 1.00 10.39 C ATOM 1723 CD GLU A 114 -0.900 -2.360 -5.655 1.00 11.02 C ATOM 1724 OE1 GLU A 114 -0.065 -2.330 -4.726 1.00 11.20 O ATOM 1725 OE2 GLU A 114 -0.705 -1.827 -6.768 1.00 11.47 O ATOM 0 H GLU A 114 -2.799 -5.620 -3.935 1.00 8.94 H new ATOM 0 HA GLU A 114 -4.384 -4.555 -6.103 1.00 10.00 H new ATOM 0 HB2 GLU A 114 -1.435 -5.064 -5.600 1.00 10.43 H new ATOM 0 HB3 GLU A 114 -2.026 -4.386 -7.104 1.00 10.43 H new ATOM 0 HG2 GLU A 114 -3.027 -2.486 -5.837 1.00 10.39 H new ATOM 0 HG3 GLU A 114 -2.393 -3.158 -4.348 1.00 10.39 H new ATOM 1732 N LYS A 115 -3.425 -7.565 -6.106 1.00 10.04 N ATOM 1733 CA LYS A 115 -3.405 -8.930 -6.659 1.00 10.61 C ATOM 1734 C LYS A 115 -2.418 -9.140 -7.804 1.00 10.14 C ATOM 1735 O LYS A 115 -2.083 -8.211 -8.544 1.00 10.70 O ATOM 1736 CB LYS A 115 -4.783 -9.422 -7.124 1.00 11.03 C ATOM 1737 CG LYS A 115 -5.261 -8.719 -8.379 1.00 10.36 C ATOM 1738 CD LYS A 115 -6.695 -8.228 -8.243 1.00 10.71 C ATOM 1739 CE LYS A 115 -6.791 -7.130 -7.191 1.00 10.61 C ATOM 1740 NZ LYS A 115 -8.139 -7.072 -6.560 1.00 10.83 N ATOM 0 H LYS A 115 -3.319 -7.569 -5.092 1.00 10.04 H new ATOM 0 HA LYS A 115 -3.072 -9.520 -5.805 1.00 10.61 H new ATOM 0 HB2 LYS A 115 -4.738 -10.495 -7.308 1.00 11.03 H new ATOM 0 HB3 LYS A 115 -5.509 -9.266 -6.326 1.00 11.03 H new ATOM 0 HG2 LYS A 115 -4.607 -7.874 -8.593 1.00 10.36 H new ATOM 0 HG3 LYS A 115 -5.189 -9.401 -9.227 1.00 10.36 H new ATOM 0 HD2 LYS A 115 -7.048 -7.851 -9.203 1.00 10.71 H new ATOM 0 HD3 LYS A 115 -7.345 -9.059 -7.969 1.00 10.71 H new ATOM 0 HE2 LYS A 115 -6.038 -7.300 -6.421 1.00 10.61 H new ATOM 0 HE3 LYS A 115 -6.565 -6.168 -7.651 1.00 10.61 H new ATOM 0 HZ1 LYS A 115 -8.158 -6.311 -5.851 1.00 10.83 H new ATOM 0 HZ2 LYS A 115 -8.856 -6.884 -7.289 1.00 10.83 H new ATOM 0 HZ3 LYS A 115 -8.345 -7.981 -6.098 1.00 10.83 H new ATOM 1754 N LEU A 116 -1.961 -10.379 -7.924 1.00 9.19 N ATOM 1755 CA LEU A 116 -1.092 -10.772 -9.012 1.00 8.69 C ATOM 1756 C LEU A 116 -1.525 -12.152 -9.513 1.00 9.07 C ATOM 1757 O LEU A 116 -2.287 -12.842 -8.827 1.00 9.05 O ATOM 1758 CB LEU A 116 0.386 -10.759 -8.587 1.00 7.40 C ATOM 1759 CG LEU A 116 0.934 -9.381 -8.195 1.00 6.84 C ATOM 1760 CD1 LEU A 116 1.756 -9.468 -6.917 1.00 6.44 C ATOM 1761 CD2 LEU A 116 1.766 -8.797 -9.326 1.00 6.43 C ATOM 0 H LEU A 116 -2.183 -11.131 -7.272 1.00 9.19 H new ATOM 0 HA LEU A 116 -1.182 -10.051 -9.825 1.00 8.69 H new ATOM 0 HB2 LEU A 116 0.512 -11.437 -7.743 1.00 7.40 H new ATOM 0 HB3 LEU A 116 0.988 -11.154 -9.406 1.00 7.40 H new ATOM 0 HG LEU A 116 0.088 -8.719 -8.010 1.00 6.84 H new ATOM 0 HD11 LEU A 116 2.134 -8.479 -6.659 1.00 6.44 H new ATOM 0 HD12 LEU A 116 1.130 -9.840 -6.106 1.00 6.44 H new ATOM 0 HD13 LEU A 116 2.594 -10.148 -7.069 1.00 6.44 H new ATOM 0 HD21 LEU A 116 2.147 -7.819 -9.030 1.00 6.43 H new ATOM 0 HD22 LEU A 116 2.602 -9.462 -9.543 1.00 6.43 H new ATOM 0 HD23 LEU A 116 1.146 -8.691 -10.216 1.00 6.43 H new ATOM 1773 N THR A 117 -1.049 -12.566 -10.695 1.00 9.56 N ATOM 1774 CA THR A 117 -1.434 -13.853 -11.249 1.00 10.01 C ATOM 1775 C THR A 117 -0.579 -15.003 -10.780 1.00 9.24 C ATOM 1776 O THR A 117 0.305 -14.872 -9.931 1.00 8.29 O ATOM 1777 CB THR A 117 -1.422 -13.890 -12.787 1.00 11.26 C ATOM 1778 OG1 THR A 117 -0.282 -13.191 -13.304 1.00 11.46 O ATOM 1779 CG2 THR A 117 -2.694 -13.295 -13.326 1.00 12.18 C ATOM 0 H THR A 117 -0.404 -12.029 -11.274 1.00 9.56 H new ATOM 0 HA THR A 117 -2.451 -13.973 -10.877 1.00 10.01 H new ATOM 0 HB THR A 117 -1.355 -14.929 -13.109 1.00 11.26 H new ATOM 0 HG1 THR A 117 -0.292 -13.228 -14.283 1.00 11.46 H new ATOM 0 HG21 THR A 117 -2.677 -13.325 -14.415 1.00 12.18 H new ATOM 0 HG22 THR A 117 -3.547 -13.867 -12.960 1.00 12.18 H new ATOM 0 HG23 THR A 117 -2.781 -12.261 -12.993 1.00 12.18 H new ATOM 1787 N ASP A 118 -0.910 -16.137 -11.371 1.00 9.74 N ATOM 1788 CA ASP A 118 -0.255 -17.404 -11.156 1.00 9.28 C ATOM 1789 C ASP A 118 1.115 -17.442 -11.793 1.00 9.42 C ATOM 1790 O ASP A 118 2.007 -18.144 -11.319 1.00 8.80 O ATOM 1791 CB ASP A 118 -1.143 -18.460 -11.769 1.00 10.08 C ATOM 1792 CG ASP A 118 -2.185 -18.986 -10.802 1.00 9.81 C ATOM 1793 OD1 ASP A 118 -3.293 -18.411 -10.751 1.00 9.86 O ATOM 1794 OD2 ASP A 118 -1.895 -19.974 -10.095 1.00 9.76 O ATOM 0 H ASP A 118 -1.676 -16.197 -12.042 1.00 9.74 H new ATOM 0 HA ASP A 118 -0.107 -17.572 -10.089 1.00 9.28 H new ATOM 0 HB2 ASP A 118 -1.643 -18.044 -12.644 1.00 10.08 H new ATOM 0 HB3 ASP A 118 -0.527 -19.289 -12.118 1.00 10.08 H new ATOM 1799 N GLU A 119 1.266 -16.680 -12.874 1.00 10.37 N ATOM 1800 CA GLU A 119 2.540 -16.576 -13.572 1.00 10.83 C ATOM 1801 C GLU A 119 3.532 -15.823 -12.707 1.00 10.04 C ATOM 1802 O GLU A 119 4.744 -15.924 -12.900 1.00 10.27 O ATOM 1803 CB GLU A 119 2.387 -15.915 -14.946 1.00 12.10 C ATOM 1804 CG GLU A 119 1.697 -16.793 -15.979 1.00 13.08 C ATOM 1805 CD GLU A 119 1.563 -16.111 -17.327 1.00 14.16 C ATOM 1806 OE1 GLU A 119 2.484 -16.254 -18.158 1.00 14.50 O ATOM 1807 OE2 GLU A 119 0.537 -15.434 -17.551 1.00 14.78 O ATOM 0 H GLU A 119 0.516 -16.124 -13.285 1.00 10.37 H new ATOM 0 HA GLU A 119 2.917 -17.583 -13.752 1.00 10.83 H new ATOM 0 HB2 GLU A 119 1.820 -14.991 -14.833 1.00 12.10 H new ATOM 0 HB3 GLU A 119 3.374 -15.640 -15.318 1.00 12.10 H new ATOM 0 HG2 GLU A 119 2.260 -17.718 -16.098 1.00 13.08 H new ATOM 0 HG3 GLU A 119 0.707 -17.067 -15.615 1.00 13.08 H new ATOM 1814 N GLU A 120 2.985 -15.058 -11.752 1.00 9.24 N ATOM 1815 CA GLU A 120 3.786 -14.357 -10.759 1.00 8.40 C ATOM 1816 C GLU A 120 4.377 -15.424 -9.859 1.00 7.57 C ATOM 1817 O GLU A 120 5.560 -15.397 -9.536 1.00 7.44 O ATOM 1818 CB GLU A 120 2.930 -13.392 -9.912 1.00 7.71 C ATOM 1819 CG GLU A 120 3.713 -12.299 -9.179 1.00 7.14 C ATOM 1820 CD GLU A 120 4.488 -11.370 -10.103 1.00 8.10 C ATOM 1821 OE1 GLU A 120 5.729 -11.495 -10.165 1.00 8.52 O ATOM 1822 OE2 GLU A 120 3.851 -10.524 -10.764 1.00 8.58 O ATOM 0 H GLU A 120 1.980 -14.913 -11.653 1.00 9.24 H new ATOM 0 HA GLU A 120 4.551 -13.757 -11.252 1.00 8.40 H new ATOM 0 HB2 GLU A 120 2.196 -12.917 -10.562 1.00 7.71 H new ATOM 0 HB3 GLU A 120 2.375 -13.974 -9.177 1.00 7.71 H new ATOM 0 HG2 GLU A 120 3.019 -11.706 -8.583 1.00 7.14 H new ATOM 0 HG3 GLU A 120 4.410 -12.769 -8.484 1.00 7.14 H new ATOM 1829 N VAL A 121 3.533 -16.415 -9.527 1.00 7.19 N ATOM 1830 CA VAL A 121 3.915 -17.500 -8.679 1.00 6.42 C ATOM 1831 C VAL A 121 4.826 -18.491 -9.403 1.00 7.15 C ATOM 1832 O VAL A 121 5.899 -18.816 -8.901 1.00 6.95 O ATOM 1833 CB VAL A 121 2.641 -18.181 -8.138 1.00 5.97 C ATOM 1834 CG1 VAL A 121 3.000 -19.209 -7.107 1.00 5.00 C ATOM 1835 CG2 VAL A 121 1.686 -17.145 -7.544 1.00 5.72 C ATOM 0 H VAL A 121 2.568 -16.464 -9.853 1.00 7.19 H new ATOM 0 HA VAL A 121 4.496 -17.114 -7.842 1.00 6.42 H new ATOM 0 HB VAL A 121 2.137 -18.677 -8.968 1.00 5.97 H new ATOM 0 HG11 VAL A 121 2.092 -19.682 -6.733 1.00 5.00 H new ATOM 0 HG12 VAL A 121 3.645 -19.965 -7.556 1.00 5.00 H new ATOM 0 HG13 VAL A 121 3.525 -18.728 -6.281 1.00 5.00 H new ATOM 0 HG21 VAL A 121 0.794 -17.646 -7.168 1.00 5.72 H new ATOM 0 HG22 VAL A 121 2.180 -16.622 -6.726 1.00 5.72 H new ATOM 0 HG23 VAL A 121 1.402 -16.428 -8.314 1.00 5.72 H new ATOM 1845 N ASP A 122 4.413 -18.916 -10.599 1.00 8.17 N ATOM 1846 CA ASP A 122 5.191 -19.878 -11.414 1.00 9.00 C ATOM 1847 C ASP A 122 6.575 -19.324 -11.752 1.00 9.58 C ATOM 1848 O ASP A 122 7.510 -20.085 -11.997 1.00 10.07 O ATOM 1849 CB ASP A 122 4.445 -20.245 -12.700 1.00 10.08 C ATOM 1850 CG ASP A 122 3.199 -21.072 -12.440 1.00 9.97 C ATOM 1851 OD1 ASP A 122 2.088 -20.504 -12.489 1.00 10.09 O ATOM 1852 OD2 ASP A 122 3.336 -22.287 -12.187 1.00 9.98 O ATOM 0 H ASP A 122 3.542 -18.613 -11.034 1.00 8.17 H new ATOM 0 HA ASP A 122 5.316 -20.781 -10.817 1.00 9.00 H new ATOM 0 HB2 ASP A 122 4.167 -19.332 -13.227 1.00 10.08 H new ATOM 0 HB3 ASP A 122 5.114 -20.801 -13.357 1.00 10.08 H new ATOM 1857 N GLU A 123 6.678 -17.989 -11.743 1.00 9.61 N ATOM 1858 CA GLU A 123 7.935 -17.280 -12.010 1.00 10.24 C ATOM 1859 C GLU A 123 8.889 -17.433 -10.817 1.00 9.65 C ATOM 1860 O GLU A 123 10.098 -17.601 -10.998 1.00 10.36 O ATOM 1861 CB GLU A 123 7.665 -15.790 -12.283 1.00 10.45 C ATOM 1862 CG GLU A 123 8.674 -15.120 -13.217 1.00 11.70 C ATOM 1863 CD GLU A 123 9.977 -14.760 -12.524 1.00 11.94 C ATOM 1864 OE1 GLU A 123 10.907 -15.594 -12.537 1.00 12.02 O ATOM 1865 OE2 GLU A 123 10.066 -13.644 -11.971 1.00 12.16 O ATOM 0 H GLU A 123 5.891 -17.370 -11.550 1.00 9.61 H new ATOM 0 HA GLU A 123 8.399 -17.716 -12.894 1.00 10.24 H new ATOM 0 HB2 GLU A 123 6.669 -15.688 -12.713 1.00 10.45 H new ATOM 0 HB3 GLU A 123 7.659 -15.256 -11.333 1.00 10.45 H new ATOM 0 HG2 GLU A 123 8.886 -15.787 -14.053 1.00 11.70 H new ATOM 0 HG3 GLU A 123 8.230 -14.217 -13.635 1.00 11.70 H new ATOM 1872 N MET A 124 8.320 -17.371 -9.597 1.00 8.45 N ATOM 1873 CA MET A 124 9.104 -17.528 -8.360 1.00 7.91 C ATOM 1874 C MET A 124 9.252 -18.984 -7.968 1.00 7.70 C ATOM 1875 O MET A 124 10.142 -19.335 -7.186 1.00 7.76 O ATOM 1876 CB MET A 124 8.563 -16.717 -7.167 1.00 6.78 C ATOM 1877 CG MET A 124 7.051 -16.545 -7.102 1.00 6.98 C ATOM 1878 SD MET A 124 6.586 -14.953 -6.402 1.00 6.62 S ATOM 1879 CE MET A 124 6.953 -13.898 -7.798 1.00 7.40 C ATOM 0 H MET A 124 7.324 -17.214 -9.444 1.00 8.45 H new ATOM 0 HA MET A 124 10.085 -17.119 -8.601 1.00 7.91 H new ATOM 0 HB2 MET A 124 8.893 -17.199 -6.247 1.00 6.78 H new ATOM 0 HB3 MET A 124 9.020 -15.728 -7.190 1.00 6.78 H new ATOM 0 HG2 MET A 124 6.632 -16.637 -8.104 1.00 6.98 H new ATOM 0 HG3 MET A 124 6.620 -17.346 -6.501 1.00 6.98 H new ATOM 0 HE1 MET A 124 7.475 -13.005 -7.452 1.00 7.40 H new ATOM 0 HE2 MET A 124 7.584 -14.436 -8.505 1.00 7.40 H new ATOM 0 HE3 MET A 124 6.024 -13.608 -8.289 1.00 7.40 H new ATOM 1889 N ILE A 125 8.380 -19.829 -8.517 1.00 7.60 N ATOM 1890 CA ILE A 125 8.406 -21.252 -8.238 1.00 7.41 C ATOM 1891 C ILE A 125 9.667 -21.921 -8.780 1.00 8.49 C ATOM 1892 O ILE A 125 10.297 -22.718 -8.085 1.00 8.45 O ATOM 1893 CB ILE A 125 7.147 -21.954 -8.747 1.00 7.24 C ATOM 1894 CG1 ILE A 125 5.939 -21.487 -7.936 1.00 6.16 C ATOM 1895 CG2 ILE A 125 7.341 -23.431 -8.600 1.00 7.27 C ATOM 1896 CD1 ILE A 125 4.613 -21.769 -8.571 1.00 6.48 C ATOM 0 H ILE A 125 7.643 -19.543 -9.162 1.00 7.60 H new ATOM 0 HA ILE A 125 8.425 -21.355 -7.153 1.00 7.41 H new ATOM 0 HB ILE A 125 6.970 -21.712 -9.795 1.00 7.24 H new ATOM 0 HG12 ILE A 125 5.968 -21.967 -6.958 1.00 6.16 H new ATOM 0 HG13 ILE A 125 6.025 -20.414 -7.767 1.00 6.16 H new ATOM 0 HG21 ILE A 125 6.453 -23.952 -8.958 1.00 7.27 H new ATOM 0 HG22 ILE A 125 8.206 -23.744 -9.185 1.00 7.27 H new ATOM 0 HG23 ILE A 125 7.506 -23.674 -7.550 1.00 7.27 H new ATOM 0 HD11 ILE A 125 3.815 -21.403 -7.925 1.00 6.48 H new ATOM 0 HD12 ILE A 125 4.558 -21.266 -9.536 1.00 6.48 H new ATOM 0 HD13 ILE A 125 4.500 -22.844 -8.715 1.00 6.48 H new ATOM 1908 N ARG A 126 9.978 -21.624 -10.037 1.00 9.53 N ATOM 1909 CA ARG A 126 11.201 -22.122 -10.713 1.00 10.70 C ATOM 1910 C ARG A 126 12.429 -21.944 -9.812 1.00 10.89 C ATOM 1911 O ARG A 126 13.323 -22.794 -9.792 1.00 11.45 O ATOM 1912 CB ARG A 126 11.463 -21.376 -12.029 1.00 11.76 C ATOM 1913 CG ARG A 126 10.291 -21.340 -12.995 1.00 12.03 C ATOM 1914 CD ARG A 126 10.049 -19.922 -13.475 1.00 12.20 C ATOM 1915 NE ARG A 126 8.906 -19.835 -14.391 1.00 12.92 N ATOM 1916 CZ ARG A 126 8.598 -18.758 -15.128 1.00 13.50 C ATOM 1917 NH1 ARG A 126 9.340 -17.653 -15.076 1.00 13.44 N ATOM 1918 NH2 ARG A 126 7.538 -18.791 -15.923 1.00 14.26 N ATOM 0 H ARG A 126 9.397 -21.031 -10.629 1.00 9.53 H new ATOM 0 HA ARG A 126 11.035 -23.179 -10.923 1.00 10.70 H new ATOM 0 HB2 ARG A 126 11.753 -20.351 -11.796 1.00 11.76 H new ATOM 0 HB3 ARG A 126 12.312 -21.842 -12.530 1.00 11.76 H new ATOM 0 HG2 ARG A 126 10.492 -21.990 -13.846 1.00 12.03 H new ATOM 0 HG3 ARG A 126 9.396 -21.724 -12.506 1.00 12.03 H new ATOM 0 HD2 ARG A 126 9.874 -19.274 -12.616 1.00 12.20 H new ATOM 0 HD3 ARG A 126 10.943 -19.552 -13.976 1.00 12.20 H new ATOM 0 HE ARG A 126 8.302 -20.653 -14.473 1.00 12.92 H new ATOM 0 HH11 ARG A 126 10.158 -17.616 -14.468 1.00 13.44 H new ATOM 0 HH12 ARG A 126 9.090 -16.844 -15.644 1.00 13.44 H new ATOM 0 HH21 ARG A 126 6.963 -19.632 -15.971 1.00 14.26 H new ATOM 0 HH22 ARG A 126 7.298 -17.976 -16.487 1.00 14.26 H new ATOM 1932 N GLU A 127 12.451 -20.817 -9.068 1.00 10.50 N ATOM 1933 CA GLU A 127 13.533 -20.518 -8.128 1.00 10.79 C ATOM 1934 C GLU A 127 13.364 -21.330 -6.843 1.00 10.06 C ATOM 1935 O GLU A 127 14.350 -21.683 -6.189 1.00 10.61 O ATOM 1936 CB GLU A 127 13.547 -19.026 -7.791 1.00 10.70 C ATOM 1937 CG GLU A 127 14.056 -18.132 -8.919 1.00 11.77 C ATOM 1938 CD GLU A 127 15.570 -18.134 -9.043 1.00 12.85 C ATOM 1939 OE1 GLU A 127 16.220 -17.282 -8.400 1.00 13.26 O ATOM 1940 OE2 GLU A 127 16.105 -18.987 -9.783 1.00 13.42 O ATOM 0 H GLU A 127 11.725 -20.102 -9.107 1.00 10.50 H new ATOM 0 HA GLU A 127 14.478 -20.788 -8.599 1.00 10.79 H new ATOM 0 HB2 GLU A 127 12.536 -18.716 -7.525 1.00 10.70 H new ATOM 0 HB3 GLU A 127 14.170 -18.870 -6.910 1.00 10.70 H new ATOM 0 HG2 GLU A 127 13.620 -18.462 -9.862 1.00 11.77 H new ATOM 0 HG3 GLU A 127 13.713 -17.112 -8.749 1.00 11.77 H new ATOM 1947 N ALA A 128 12.097 -21.620 -6.495 1.00 8.89 N ATOM 1948 CA ALA A 128 11.763 -22.405 -5.305 1.00 8.16 C ATOM 1949 C ALA A 128 12.041 -23.899 -5.492 1.00 8.57 C ATOM 1950 O ALA A 128 12.277 -24.616 -4.515 1.00 8.66 O ATOM 1951 CB ALA A 128 10.300 -22.215 -4.981 1.00 6.87 C ATOM 0 H ALA A 128 11.284 -21.316 -7.031 1.00 8.89 H new ATOM 0 HA ALA A 128 12.395 -22.050 -4.491 1.00 8.16 H new ATOM 0 HB1 ALA A 128 10.045 -22.797 -4.096 1.00 6.87 H new ATOM 0 HB2 ALA A 128 10.104 -21.160 -4.791 1.00 6.87 H new ATOM 0 HB3 ALA A 128 9.694 -22.551 -5.823 1.00 6.87 H new ATOM 1957 N ALA A 129 11.990 -24.352 -6.764 1.00 8.95 N ATOM 1958 CA ALA A 129 12.207 -25.765 -7.167 1.00 9.43 C ATOM 1959 C ALA A 129 10.963 -26.612 -6.886 1.00 8.51 C ATOM 1960 O ALA A 129 10.505 -27.355 -7.758 1.00 8.76 O ATOM 1961 CB ALA A 129 13.449 -26.384 -6.515 1.00 10.42 C ATOM 0 H ALA A 129 11.794 -23.738 -7.555 1.00 8.95 H new ATOM 0 HA ALA A 129 12.388 -25.758 -8.242 1.00 9.43 H new ATOM 0 HB1 ALA A 129 13.557 -27.417 -6.846 1.00 10.42 H new ATOM 0 HB2 ALA A 129 14.333 -25.816 -6.804 1.00 10.42 H new ATOM 0 HB3 ALA A 129 13.341 -26.360 -5.431 1.00 10.42 H new ATOM 1967 N ILE A 130 10.428 -26.483 -5.652 1.00 7.54 N ATOM 1968 CA ILE A 130 9.216 -27.191 -5.192 1.00 6.69 C ATOM 1969 C ILE A 130 9.268 -28.713 -5.486 1.00 6.68 C ATOM 1970 O ILE A 130 10.352 -29.283 -5.635 1.00 6.97 O ATOM 1971 CB ILE A 130 7.919 -26.491 -5.763 1.00 5.80 C ATOM 1972 CG1 ILE A 130 6.726 -26.658 -4.806 1.00 5.43 C ATOM 1973 CG2 ILE A 130 7.551 -26.937 -7.182 1.00 6.19 C ATOM 1974 CD1 ILE A 130 6.664 -25.586 -3.733 1.00 4.53 C ATOM 0 H ILE A 130 10.832 -25.876 -4.939 1.00 7.54 H new ATOM 0 HA ILE A 130 9.174 -27.117 -4.105 1.00 6.69 H new ATOM 0 HB ILE A 130 8.164 -25.431 -5.835 1.00 5.80 H new ATOM 0 HG12 ILE A 130 5.801 -26.640 -5.382 1.00 5.43 H new ATOM 0 HG13 ILE A 130 6.785 -27.637 -4.330 1.00 5.43 H new ATOM 0 HG21 ILE A 130 6.651 -26.414 -7.506 1.00 6.19 H new ATOM 0 HG22 ILE A 130 8.371 -26.703 -7.861 1.00 6.19 H new ATOM 0 HG23 ILE A 130 7.369 -28.012 -7.190 1.00 6.19 H new ATOM 0 HD11 ILE A 130 5.800 -25.762 -3.092 1.00 4.53 H new ATOM 0 HD12 ILE A 130 7.573 -25.619 -3.133 1.00 4.53 H new ATOM 0 HD13 ILE A 130 6.574 -24.606 -4.202 1.00 4.53 H new ATOM 1986 N ASP A 131 8.080 -29.344 -5.559 1.00 6.58 N ATOM 1987 CA ASP A 131 7.916 -30.793 -5.832 1.00 6.68 C ATOM 1988 C ASP A 131 8.474 -31.658 -4.693 1.00 6.59 C ATOM 1989 O ASP A 131 9.315 -31.206 -3.909 1.00 6.80 O ATOM 1990 CB ASP A 131 8.558 -31.182 -7.180 1.00 7.70 C ATOM 1991 CG ASP A 131 7.898 -32.392 -7.820 1.00 7.98 C ATOM 1992 OD1 ASP A 131 8.341 -33.526 -7.544 1.00 8.18 O ATOM 1993 OD2 ASP A 131 6.938 -32.202 -8.597 1.00 8.25 O ATOM 0 H ASP A 131 7.192 -28.859 -5.429 1.00 6.58 H new ATOM 0 HA ASP A 131 6.845 -30.987 -5.895 1.00 6.68 H new ATOM 0 HB2 ASP A 131 8.496 -30.336 -7.864 1.00 7.70 H new ATOM 0 HB3 ASP A 131 9.617 -31.390 -7.026 1.00 7.70 H new ATOM 1998 N GLY A 132 7.991 -32.905 -4.620 1.00 6.49 N ATOM 1999 CA GLY A 132 8.416 -33.829 -3.578 1.00 6.52 C ATOM 2000 C GLY A 132 7.438 -33.850 -2.419 1.00 5.87 C ATOM 2001 O GLY A 132 7.003 -34.919 -1.982 1.00 6.01 O ATOM 0 H GLY A 132 7.307 -33.290 -5.272 1.00 6.49 H new ATOM 0 HA2 GLY A 132 8.508 -34.832 -3.995 1.00 6.52 H new ATOM 0 HA3 GLY A 132 9.403 -33.542 -3.217 1.00 6.52 H new ATOM 2005 N ASP A 133 7.101 -32.653 -1.931 1.00 5.34 N ATOM 2006 CA ASP A 133 6.159 -32.483 -0.831 1.00 4.95 C ATOM 2007 C ASP A 133 4.945 -31.777 -1.363 1.00 4.57 C ATOM 2008 O ASP A 133 3.814 -31.990 -0.916 1.00 4.65 O ATOM 2009 CB ASP A 133 6.751 -31.583 0.233 1.00 4.99 C ATOM 2010 CG ASP A 133 6.375 -31.999 1.642 1.00 5.63 C ATOM 2011 OD1 ASP A 133 5.341 -31.514 2.148 1.00 6.07 O ATOM 2012 OD2 ASP A 133 7.114 -32.810 2.239 1.00 5.97 O ATOM 0 H ASP A 133 7.477 -31.776 -2.291 1.00 5.34 H new ATOM 0 HA ASP A 133 5.923 -33.461 -0.412 1.00 4.95 H new ATOM 0 HB2 ASP A 133 7.837 -31.584 0.138 1.00 4.99 H new ATOM 0 HB3 ASP A 133 6.417 -30.560 0.062 1.00 4.99 H new ATOM 2017 N GLY A 134 5.233 -30.925 -2.343 1.00 4.47 N ATOM 2018 CA GLY A 134 4.237 -30.142 -2.984 1.00 4.33 C ATOM 2019 C GLY A 134 4.082 -28.740 -2.406 1.00 3.73 C ATOM 2020 O GLY A 134 3.446 -27.885 -3.026 1.00 3.75 O ATOM 0 H GLY A 134 6.176 -30.774 -2.701 1.00 4.47 H new ATOM 0 HA2 GLY A 134 4.479 -30.062 -4.044 1.00 4.33 H new ATOM 0 HA3 GLY A 134 3.281 -30.661 -2.913 1.00 4.33 H new ATOM 2024 N GLN A 135 4.658 -28.513 -1.219 1.00 3.55 N ATOM 2025 CA GLN A 135 4.594 -27.219 -0.546 1.00 3.33 C ATOM 2026 C GLN A 135 5.971 -26.521 -0.510 1.00 3.69 C ATOM 2027 O GLN A 135 6.965 -27.088 -0.974 1.00 4.33 O ATOM 2028 CB GLN A 135 4.015 -27.417 0.859 1.00 3.82 C ATOM 2029 CG GLN A 135 4.711 -28.470 1.725 1.00 4.41 C ATOM 2030 CD GLN A 135 3.998 -28.705 3.043 1.00 5.26 C ATOM 2031 OE1 GLN A 135 3.117 -29.559 3.141 1.00 5.74 O ATOM 2032 NE2 GLN A 135 4.376 -27.946 4.064 1.00 5.78 N ATOM 0 H GLN A 135 5.179 -29.222 -0.703 1.00 3.55 H new ATOM 0 HA GLN A 135 3.938 -26.556 -1.110 1.00 3.33 H new ATOM 0 HB2 GLN A 135 4.050 -26.462 1.383 1.00 3.82 H new ATOM 0 HB3 GLN A 135 2.964 -27.690 0.763 1.00 3.82 H new ATOM 0 HG2 GLN A 135 4.767 -29.409 1.174 1.00 4.41 H new ATOM 0 HG3 GLN A 135 5.736 -28.154 1.922 1.00 4.41 H new ATOM 0 HE21 GLN A 135 5.111 -27.250 3.938 1.00 5.78 H new ATOM 0 HE22 GLN A 135 3.932 -28.059 4.975 1.00 5.78 H new ATOM 2041 N VAL A 136 6.017 -25.292 0.043 1.00 3.59 N ATOM 2042 CA VAL A 136 7.255 -24.523 0.124 1.00 4.23 C ATOM 2043 C VAL A 136 7.413 -23.820 1.477 1.00 4.67 C ATOM 2044 O VAL A 136 6.645 -24.057 2.411 1.00 4.74 O ATOM 2045 CB VAL A 136 7.365 -23.517 -1.073 1.00 4.02 C ATOM 2046 CG1 VAL A 136 6.554 -22.239 -0.854 1.00 3.51 C ATOM 2047 CG2 VAL A 136 8.819 -23.191 -1.418 1.00 5.08 C ATOM 0 H VAL A 136 5.205 -24.818 0.438 1.00 3.59 H new ATOM 0 HA VAL A 136 8.083 -25.227 0.046 1.00 4.23 H new ATOM 0 HB VAL A 136 6.925 -24.028 -1.929 1.00 4.02 H new ATOM 0 HG11 VAL A 136 6.670 -21.582 -1.716 1.00 3.51 H new ATOM 0 HG12 VAL A 136 5.501 -22.493 -0.730 1.00 3.51 H new ATOM 0 HG13 VAL A 136 6.912 -21.730 0.041 1.00 3.51 H new ATOM 0 HG21 VAL A 136 8.847 -22.491 -2.253 1.00 5.08 H new ATOM 0 HG22 VAL A 136 9.307 -22.743 -0.552 1.00 5.08 H new ATOM 0 HG23 VAL A 136 9.341 -24.107 -1.695 1.00 5.08 H new ATOM 2057 N ASN A 137 8.423 -22.953 1.544 1.00 5.28 N ATOM 2058 CA ASN A 137 8.736 -22.208 2.757 1.00 5.95 C ATOM 2059 C ASN A 137 8.270 -20.751 2.645 1.00 5.49 C ATOM 2060 O ASN A 137 7.625 -20.355 1.670 1.00 4.60 O ATOM 2061 CB ASN A 137 10.245 -22.248 3.094 1.00 7.18 C ATOM 2062 CG ASN A 137 10.914 -23.603 2.891 1.00 7.90 C ATOM 2063 OD1 ASN A 137 10.640 -24.317 1.925 1.00 8.11 O ATOM 2064 ND2 ASN A 137 11.801 -23.961 3.812 1.00 8.51 N ATOM 0 H ASN A 137 9.044 -22.750 0.760 1.00 5.28 H new ATOM 0 HA ASN A 137 8.196 -22.696 3.569 1.00 5.95 H new ATOM 0 HB2 ASN A 137 10.759 -21.510 2.479 1.00 7.18 H new ATOM 0 HB3 ASN A 137 10.378 -21.946 4.133 1.00 7.18 H new ATOM 0 HD21 ASN A 137 12.284 -24.856 3.734 1.00 8.51 H new ATOM 0 HD22 ASN A 137 12.000 -23.341 4.597 1.00 8.51 H new ATOM 2071 N TYR A 138 8.641 -19.976 3.656 1.00 6.22 N ATOM 2072 CA TYR A 138 8.285 -18.566 3.797 1.00 6.03 C ATOM 2073 C TYR A 138 9.488 -17.666 3.512 1.00 6.55 C ATOM 2074 O TYR A 138 9.352 -16.589 2.926 1.00 6.13 O ATOM 2075 CB TYR A 138 7.778 -18.323 5.236 1.00 6.78 C ATOM 2076 CG TYR A 138 8.425 -19.254 6.242 1.00 7.93 C ATOM 2077 CD1 TYR A 138 9.083 -18.786 7.366 1.00 8.62 C ATOM 2078 CD2 TYR A 138 8.408 -20.619 6.016 1.00 8.50 C ATOM 2079 CE1 TYR A 138 9.705 -19.666 8.232 1.00 9.65 C ATOM 2080 CE2 TYR A 138 9.011 -21.493 6.853 1.00 9.54 C ATOM 2081 CZ TYR A 138 9.669 -21.025 7.970 1.00 10.06 C ATOM 2082 OH TYR A 138 10.286 -21.907 8.827 1.00 11.13 O ATOM 0 H TYR A 138 9.216 -20.320 4.425 1.00 6.22 H new ATOM 0 HA TYR A 138 7.505 -18.322 3.076 1.00 6.03 H new ATOM 0 HB2 TYR A 138 7.979 -17.290 5.519 1.00 6.78 H new ATOM 0 HB3 TYR A 138 6.697 -18.457 5.265 1.00 6.78 H new ATOM 0 HD1 TYR A 138 9.111 -17.725 7.568 1.00 8.62 H new ATOM 0 HD2 TYR A 138 7.897 -20.998 5.143 1.00 8.50 H new ATOM 0 HE1 TYR A 138 10.216 -19.295 9.108 1.00 9.65 H new ATOM 0 HE2 TYR A 138 8.977 -22.553 6.647 1.00 9.54 H new ATOM 0 HH TYR A 138 10.165 -22.822 8.498 1.00 11.13 H new ATOM 2092 N GLU A 139 10.665 -18.142 3.945 1.00 7.59 N ATOM 2093 CA GLU A 139 11.940 -17.427 3.786 1.00 8.39 C ATOM 2094 C GLU A 139 12.507 -17.569 2.376 1.00 8.26 C ATOM 2095 O GLU A 139 13.326 -16.757 1.944 1.00 8.61 O ATOM 2096 CB GLU A 139 12.961 -17.983 4.773 1.00 9.64 C ATOM 2097 CG GLU A 139 12.681 -17.633 6.228 1.00 10.21 C ATOM 2098 CD GLU A 139 13.718 -18.205 7.175 1.00 11.39 C ATOM 2099 OE1 GLU A 139 14.723 -17.513 7.442 1.00 11.90 O ATOM 2100 OE2 GLU A 139 13.525 -19.344 7.650 1.00 11.94 O ATOM 0 H GLU A 139 10.759 -19.040 4.419 1.00 7.59 H new ATOM 0 HA GLU A 139 11.746 -16.371 3.974 1.00 8.39 H new ATOM 0 HB2 GLU A 139 12.993 -19.068 4.672 1.00 9.64 H new ATOM 0 HB3 GLU A 139 13.949 -17.609 4.505 1.00 9.64 H new ATOM 0 HG2 GLU A 139 12.652 -16.549 6.338 1.00 10.21 H new ATOM 0 HG3 GLU A 139 11.696 -18.008 6.505 1.00 10.21 H new ATOM 2107 N GLU A 140 12.102 -18.633 1.695 1.00 7.94 N ATOM 2108 CA GLU A 140 12.560 -18.905 0.332 1.00 8.10 C ATOM 2109 C GLU A 140 11.593 -18.379 -0.736 1.00 7.13 C ATOM 2110 O GLU A 140 12.039 -17.892 -1.779 1.00 7.54 O ATOM 2111 CB GLU A 140 12.769 -20.410 0.133 1.00 8.42 C ATOM 2112 CG GLU A 140 14.010 -20.956 0.823 1.00 9.47 C ATOM 2113 CD GLU A 140 14.191 -22.446 0.603 1.00 9.95 C ATOM 2114 OE1 GLU A 140 13.673 -23.234 1.422 1.00 10.29 O ATOM 2115 OE2 GLU A 140 14.850 -22.824 -0.388 1.00 10.17 O ATOM 0 H GLU A 140 11.453 -19.328 2.064 1.00 7.94 H new ATOM 0 HA GLU A 140 13.504 -18.375 0.209 1.00 8.10 H new ATOM 0 HB2 GLU A 140 11.894 -20.941 0.507 1.00 8.42 H new ATOM 0 HB3 GLU A 140 12.837 -20.620 -0.935 1.00 8.42 H new ATOM 0 HG2 GLU A 140 14.889 -20.428 0.453 1.00 9.47 H new ATOM 0 HG3 GLU A 140 13.945 -20.756 1.892 1.00 9.47 H new ATOM 2122 N PHE A 141 10.277 -18.472 -0.478 1.00 5.98 N ATOM 2123 CA PHE A 141 9.274 -18.047 -1.451 1.00 5.06 C ATOM 2124 C PHE A 141 8.916 -16.555 -1.407 1.00 4.76 C ATOM 2125 O PHE A 141 9.157 -15.833 -2.378 1.00 5.06 O ATOM 2126 CB PHE A 141 8.020 -18.930 -1.361 1.00 3.97 C ATOM 2127 CG PHE A 141 7.465 -19.219 -2.711 1.00 3.73 C ATOM 2128 CD1 PHE A 141 6.570 -18.344 -3.284 1.00 3.83 C ATOM 2129 CD2 PHE A 141 7.892 -20.325 -3.429 1.00 4.10 C ATOM 2130 CE1 PHE A 141 6.111 -18.549 -4.556 1.00 4.24 C ATOM 2131 CE2 PHE A 141 7.416 -20.554 -4.709 1.00 4.47 C ATOM 2132 CZ PHE A 141 6.531 -19.652 -5.267 1.00 4.52 C ATOM 0 H PHE A 141 9.892 -18.837 0.393 1.00 5.98 H new ATOM 0 HA PHE A 141 9.743 -18.184 -2.425 1.00 5.06 H new ATOM 0 HB2 PHE A 141 8.266 -19.865 -0.859 1.00 3.97 H new ATOM 0 HB3 PHE A 141 7.264 -18.432 -0.754 1.00 3.97 H new ATOM 0 HD1 PHE A 141 6.227 -17.487 -2.723 1.00 3.83 H new ATOM 0 HD2 PHE A 141 8.599 -21.012 -2.988 1.00 4.10 H new ATOM 0 HE1 PHE A 141 5.421 -17.848 -5.002 1.00 4.24 H new ATOM 0 HE2 PHE A 141 7.732 -21.425 -5.263 1.00 4.47 H new ATOM 0 HZ PHE A 141 6.165 -19.813 -6.270 1.00 4.52 H new ATOM 2142 N VAL A 142 8.338 -16.110 -0.296 1.00 4.40 N ATOM 2143 CA VAL A 142 7.925 -14.686 -0.103 1.00 4.15 C ATOM 2144 C VAL A 142 9.124 -13.776 -0.220 1.00 5.25 C ATOM 2145 O VAL A 142 9.043 -12.688 -0.792 1.00 5.25 O ATOM 2146 CB VAL A 142 7.242 -14.427 1.268 1.00 4.09 C ATOM 2147 CG1 VAL A 142 6.199 -13.324 1.175 1.00 3.37 C ATOM 2148 CG2 VAL A 142 6.623 -15.693 1.805 1.00 3.96 C ATOM 0 H VAL A 142 8.134 -16.708 0.505 1.00 4.40 H new ATOM 0 HA VAL A 142 7.196 -14.474 -0.885 1.00 4.15 H new ATOM 0 HB VAL A 142 8.016 -14.096 1.961 1.00 4.09 H new ATOM 0 HG11 VAL A 142 5.743 -13.171 2.153 1.00 3.37 H new ATOM 0 HG12 VAL A 142 6.675 -12.400 0.848 1.00 3.37 H new ATOM 0 HG13 VAL A 142 5.430 -13.610 0.457 1.00 3.37 H new ATOM 0 HG21 VAL A 142 6.151 -15.488 2.766 1.00 3.96 H new ATOM 0 HG22 VAL A 142 5.874 -16.058 1.103 1.00 3.96 H new ATOM 0 HG23 VAL A 142 7.397 -16.449 1.935 1.00 3.96 H new ATOM 2158 N GLN A 143 10.229 -14.232 0.349 1.00 6.26 N ATOM 2159 CA GLN A 143 11.496 -13.493 0.254 1.00 7.42 C ATOM 2160 C GLN A 143 11.955 -13.390 -1.204 1.00 7.74 C ATOM 2161 O GLN A 143 12.731 -12.495 -1.552 1.00 8.48 O ATOM 2162 CB GLN A 143 12.586 -14.114 1.123 1.00 8.47 C ATOM 2163 CG GLN A 143 12.485 -13.732 2.592 1.00 9.24 C ATOM 2164 CD GLN A 143 13.748 -14.052 3.369 1.00 10.23 C ATOM 2165 OE1 GLN A 143 13.886 -15.136 3.935 1.00 10.70 O ATOM 2166 NE2 GLN A 143 14.679 -13.106 3.399 1.00 10.74 N ATOM 0 H GLN A 143 10.283 -15.102 0.879 1.00 6.26 H new ATOM 0 HA GLN A 143 11.315 -12.487 0.633 1.00 7.42 H new ATOM 0 HB2 GLN A 143 12.536 -15.199 1.034 1.00 8.47 H new ATOM 0 HB3 GLN A 143 13.561 -13.808 0.743 1.00 8.47 H new ATOM 0 HG2 GLN A 143 12.275 -12.665 2.672 1.00 9.24 H new ATOM 0 HG3 GLN A 143 11.643 -14.258 3.043 1.00 9.24 H new ATOM 0 HE21 GLN A 143 14.523 -12.221 2.916 1.00 10.74 H new ATOM 0 HE22 GLN A 143 15.550 -13.264 3.905 1.00 10.74 H new ATOM 2175 N MET A 144 11.466 -14.319 -2.050 1.00 7.32 N ATOM 2176 CA MET A 144 11.784 -14.314 -3.476 1.00 7.88 C ATOM 2177 C MET A 144 10.919 -13.321 -4.241 1.00 7.37 C ATOM 2178 O MET A 144 11.081 -13.115 -5.449 1.00 8.01 O ATOM 2179 CB MET A 144 11.682 -15.717 -4.079 1.00 8.04 C ATOM 2180 CG MET A 144 12.909 -16.137 -4.882 1.00 9.33 C ATOM 2181 SD MET A 144 13.290 -15.023 -6.256 1.00 9.76 S ATOM 2182 CE MET A 144 12.061 -15.506 -7.469 1.00 9.64 C ATOM 0 H MET A 144 10.850 -15.079 -1.762 1.00 7.32 H new ATOM 0 HA MET A 144 12.820 -13.988 -3.573 1.00 7.88 H new ATOM 0 HB2 MET A 144 11.523 -16.436 -3.276 1.00 8.04 H new ATOM 0 HB3 MET A 144 10.805 -15.761 -4.725 1.00 8.04 H new ATOM 0 HG2 MET A 144 13.770 -16.186 -4.215 1.00 9.33 H new ATOM 0 HG3 MET A 144 12.751 -17.142 -5.273 1.00 9.33 H new ATOM 0 HE1 MET A 144 12.442 -15.309 -8.471 1.00 9.64 H new ATOM 0 HE2 MET A 144 11.845 -16.569 -7.365 1.00 9.64 H new ATOM 0 HE3 MET A 144 11.147 -14.933 -7.309 1.00 9.64 H new ATOM 2192 N MET A 145 10.013 -12.716 -3.497 1.00 6.37 N ATOM 2193 CA MET A 145 9.111 -11.675 -4.013 1.00 5.88 C ATOM 2194 C MET A 145 9.820 -10.334 -3.904 1.00 6.25 C ATOM 2195 O MET A 145 9.555 -9.396 -4.662 1.00 6.33 O ATOM 2196 CB MET A 145 7.790 -11.609 -3.239 1.00 4.66 C ATOM 2197 CG MET A 145 6.878 -12.805 -3.443 1.00 3.68 C ATOM 2198 SD MET A 145 5.792 -13.070 -2.037 1.00 3.52 S ATOM 2199 CE MET A 145 5.343 -14.780 -2.283 1.00 3.45 C ATOM 0 H MET A 145 9.872 -12.926 -2.509 1.00 6.37 H new ATOM 0 HA MET A 145 8.868 -11.917 -5.048 1.00 5.88 H new ATOM 0 HB2 MET A 145 8.011 -11.515 -2.176 1.00 4.66 H new ATOM 0 HB3 MET A 145 7.255 -10.706 -3.535 1.00 4.66 H new ATOM 0 HG2 MET A 145 6.279 -12.655 -4.341 1.00 3.68 H new ATOM 0 HG3 MET A 145 7.482 -13.697 -3.608 1.00 3.68 H new ATOM 0 HE1 MET A 145 4.272 -14.851 -2.472 1.00 3.45 H new ATOM 0 HE2 MET A 145 5.890 -15.181 -3.137 1.00 3.45 H new ATOM 0 HE3 MET A 145 5.593 -15.354 -1.391 1.00 3.45 H new ATOM 2209 N THR A 146 10.729 -10.288 -2.928 1.00 6.65 N ATOM 2210 CA THR A 146 11.562 -9.126 -2.649 1.00 7.20 C ATOM 2211 C THR A 146 12.819 -9.172 -3.534 1.00 8.45 C ATOM 2212 O THR A 146 13.461 -8.143 -3.767 1.00 8.99 O ATOM 2213 CB THR A 146 11.954 -9.081 -1.146 1.00 7.31 C ATOM 2214 OG1 THR A 146 10.799 -9.337 -0.337 1.00 6.44 O ATOM 2215 CG2 THR A 146 12.543 -7.727 -0.750 1.00 7.72 C ATOM 0 H THR A 146 10.907 -11.073 -2.301 1.00 6.65 H new ATOM 0 HA THR A 146 10.998 -8.221 -2.876 1.00 7.20 H new ATOM 0 HB THR A 146 12.713 -9.846 -0.984 1.00 7.31 H new ATOM 0 HG1 THR A 146 11.050 -9.310 0.610 1.00 6.44 H new ATOM 0 HG21 THR A 146 12.803 -7.739 0.308 1.00 7.72 H new ATOM 0 HG22 THR A 146 13.438 -7.532 -1.341 1.00 7.72 H new ATOM 0 HG23 THR A 146 11.809 -6.943 -0.934 1.00 7.72 H new ATOM 2223 N ALA A 147 13.154 -10.384 -4.018 1.00 8.92 N ATOM 2224 CA ALA A 147 14.304 -10.587 -4.898 1.00 10.15 C ATOM 2225 C ALA A 147 13.901 -10.439 -6.368 1.00 10.43 C ATOM 2226 O ALA A 147 14.678 -9.926 -7.178 1.00 11.37 O ATOM 2227 CB ALA A 147 14.922 -11.955 -4.653 1.00 10.68 C ATOM 0 H ALA A 147 12.636 -11.237 -3.808 1.00 8.92 H new ATOM 0 HA ALA A 147 15.046 -9.821 -4.671 1.00 10.15 H new ATOM 0 HB1 ALA A 147 15.777 -12.092 -5.315 1.00 10.68 H new ATOM 0 HB2 ALA A 147 15.251 -12.025 -3.616 1.00 10.68 H new ATOM 0 HB3 ALA A 147 14.181 -12.730 -4.852 1.00 10.68 H new ATOM 2233 N LYS A 148 12.679 -10.895 -6.702 1.00 9.72 N ATOM 2234 CA LYS A 148 12.155 -10.819 -8.060 1.00 10.13 C ATOM 2235 C LYS A 148 10.655 -10.526 -8.044 1.00 9.70 C ATOM 2236 O LYS A 148 9.893 -11.345 -7.485 1.00 9.60 O ATOM 2237 CB LYS A 148 12.434 -12.114 -8.845 1.00 10.60 C ATOM 2238 CG LYS A 148 13.857 -12.230 -9.385 1.00 11.38 C ATOM 2239 CD LYS A 148 14.768 -12.983 -8.426 1.00 11.36 C ATOM 2240 CE LYS A 148 16.181 -13.099 -8.975 1.00 12.34 C ATOM 2241 NZ LYS A 148 17.079 -13.837 -8.045 1.00 12.59 N ATOM 2242 OXT LYS A 148 10.255 -9.477 -8.591 1.00 9.69 O ATOM 0 H LYS A 148 12.037 -11.323 -6.034 1.00 9.72 H new ATOM 0 HA LYS A 148 12.669 -10.001 -8.564 1.00 10.13 H new ATOM 0 HB2 LYS A 148 12.234 -12.967 -8.197 1.00 10.60 H new ATOM 0 HB3 LYS A 148 11.736 -12.176 -9.679 1.00 10.60 H new ATOM 0 HG2 LYS A 148 13.840 -12.742 -10.347 1.00 11.38 H new ATOM 0 HG3 LYS A 148 14.261 -11.233 -9.562 1.00 11.38 H new ATOM 0 HD2 LYS A 148 14.791 -12.469 -7.465 1.00 11.36 H new ATOM 0 HD3 LYS A 148 14.364 -13.979 -8.245 1.00 11.36 H new ATOM 0 HE2 LYS A 148 16.156 -13.610 -9.937 1.00 12.34 H new ATOM 0 HE3 LYS A 148 16.584 -12.102 -9.154 1.00 12.34 H new ATOM 0 HZ1 LYS A 148 18.033 -13.894 -8.456 1.00 12.59 H new ATOM 0 HZ2 LYS A 148 17.124 -13.336 -7.135 1.00 12.59 H new ATOM 0 HZ3 LYS A 148 16.709 -14.797 -7.894 1.00 12.59 H new