USER MOD reduce.3.24.130724 H: found=0, std=0, add=953, rem=0, adj=25 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 101 SER OG : rot 160:sc= 0.163 USER MOD Set 1.2: A 135 GLN : amide:sc= 0.136 K(o=0.3,f=2.3) USER MOD Set 2.1: A 36 MET CE :methyl 139:sc= -0.726 (180deg=-4.45!) USER MOD Set 2.2: A 72 MET CE :methyl 156:sc= -0.123 (180deg=-0.0344) USER MOD Set 3.1: A 26 THR OG1 : rot 159:sc= 1.15 USER MOD Set 3.2: A 62 THR OG1 : rot -170:sc= 1.08 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -31:sc= 0.0577 USER MOD Single : A 28 THR OG1 : rot -84:sc= 0.527 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -170:sc= -0.147 USER MOD Single : A 38 SER OG : rot 75:sc= 1.25 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc=-0.00792 X(o=-0.0079,f=0) USER MOD Single : A 44 THR OG1 : rot -144:sc= -0.208 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl -119:sc= -1.23 (180deg=-3.94!) USER MOD Single : A 53 ASN : amide:sc= -0.0745 X(o=-0.075,f=0) USER MOD Single : A 70 THR OG1 : rot 1:sc= 0.616 USER MOD Single : A 71 MET CE :methyl -140:sc= -1.2 (180deg=-2.59) USER MOD Single : A 81 SER OG : rot 28:sc= 0.0689 USER MOD Single : A 94 LYS NZ :NH3+ 153:sc= 1.22 (180deg=0.312) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -0.0775 X(o=-0.077,f=0.0088) USER MOD Single : A 109 MET CE :methyl 140:sc= -2.5! (180deg=-4.49!) USER MOD Single : A 110 THR OG1 : rot 95:sc= 1 USER MOD Single : A 111 ASN : amide:sc= -1.13 X(o=-1.1,f=-1.1) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.00254 USER MOD Single : A 124 MET CE :methyl 139:sc= -3.57! (180deg=-7.41!) USER MOD Single : A 137 ASN : amide:sc= -0.534 X(o=-0.53,f=-0.4) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -1.63 K(o=-1.6,f=-8.6!) USER MOD Single : A 144 MET CE :methyl -135:sc= -0.162 (180deg=-5.59!) USER MOD Single : A 145 MET CE :methyl 161:sc= -2.46 (180deg=-4.62) USER MOD Single : A 146 THR OG1 : rot 73:sc= 1.29 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 90 N GLU A 7 4.372 11.057 -10.950 1.00 3.51 N ATOM 91 CA GLU A 7 3.058 11.339 -11.542 1.00 3.59 C ATOM 92 C GLU A 7 1.906 11.105 -10.569 1.00 3.35 C ATOM 93 O GLU A 7 0.802 11.607 -10.798 1.00 3.38 O ATOM 94 CB GLU A 7 2.847 10.510 -12.814 1.00 3.93 C ATOM 95 CG GLU A 7 3.669 10.985 -14.003 1.00 4.45 C ATOM 96 CD GLU A 7 3.434 10.149 -15.246 1.00 5.14 C ATOM 97 OE1 GLU A 7 2.521 10.490 -16.027 1.00 5.54 O ATOM 98 OE2 GLU A 7 4.164 9.153 -15.438 1.00 5.58 O ATOM 0 HA GLU A 7 3.055 12.399 -11.794 1.00 3.59 H new ATOM 0 HB2 GLU A 7 3.097 9.470 -12.604 1.00 3.93 H new ATOM 0 HB3 GLU A 7 1.791 10.536 -13.082 1.00 3.93 H new ATOM 0 HG2 GLU A 7 3.423 12.025 -14.217 1.00 4.45 H new ATOM 0 HG3 GLU A 7 4.727 10.954 -13.744 1.00 4.45 H new ATOM 105 N GLN A 8 2.147 10.331 -9.494 1.00 3.16 N ATOM 106 CA GLN A 8 1.116 10.090 -8.479 1.00 2.96 C ATOM 107 C GLN A 8 0.704 11.402 -7.856 1.00 2.69 C ATOM 108 O GLN A 8 -0.458 11.597 -7.516 1.00 2.63 O ATOM 109 CB GLN A 8 1.587 9.094 -7.413 1.00 2.87 C ATOM 110 CG GLN A 8 1.690 7.660 -7.913 1.00 3.23 C ATOM 111 CD GLN A 8 2.154 6.700 -6.835 1.00 3.13 C ATOM 112 OE1 GLN A 8 3.351 6.469 -6.667 1.00 3.27 O ATOM 113 NE2 GLN A 8 1.205 6.135 -6.098 1.00 3.29 N ATOM 0 H GLN A 8 3.038 9.869 -9.311 1.00 3.16 H new ATOM 0 HA GLN A 8 0.251 9.640 -8.967 1.00 2.96 H new ATOM 0 HB2 GLN A 8 2.561 9.409 -7.040 1.00 2.87 H new ATOM 0 HB3 GLN A 8 0.897 9.126 -6.570 1.00 2.87 H new ATOM 0 HG2 GLN A 8 0.718 7.339 -8.287 1.00 3.23 H new ATOM 0 HG3 GLN A 8 2.384 7.621 -8.753 1.00 3.23 H new ATOM 0 HE21 GLN A 8 0.225 6.356 -6.272 1.00 3.29 H new ATOM 0 HE22 GLN A 8 1.456 5.480 -5.357 1.00 3.29 H new ATOM 122 N ILE A 9 1.685 12.291 -7.715 1.00 2.59 N ATOM 123 CA ILE A 9 1.467 13.645 -7.247 1.00 2.41 C ATOM 124 C ILE A 9 0.444 14.315 -8.161 1.00 2.64 C ATOM 125 O ILE A 9 -0.489 14.960 -7.684 1.00 2.55 O ATOM 126 CB ILE A 9 2.813 14.402 -7.231 1.00 2.42 C ATOM 127 CG1 ILE A 9 3.612 13.943 -6.012 1.00 2.20 C ATOM 128 CG2 ILE A 9 2.631 15.916 -7.274 1.00 2.45 C ATOM 129 CD1 ILE A 9 4.510 12.763 -6.304 1.00 2.35 C ATOM 0 H ILE A 9 2.661 12.083 -7.926 1.00 2.59 H new ATOM 0 HA ILE A 9 1.074 13.651 -6.230 1.00 2.41 H new ATOM 0 HB ILE A 9 3.371 14.161 -8.136 1.00 2.42 H new ATOM 0 HG12 ILE A 9 4.218 14.773 -5.649 1.00 2.20 H new ATOM 0 HG13 ILE A 9 2.922 13.678 -5.211 1.00 2.20 H new ATOM 0 HG21 ILE A 9 3.607 16.400 -7.261 1.00 2.45 H new ATOM 0 HG22 ILE A 9 2.101 16.193 -8.185 1.00 2.45 H new ATOM 0 HG23 ILE A 9 2.054 16.238 -6.407 1.00 2.45 H new ATOM 0 HD11 ILE A 9 5.051 12.484 -5.399 1.00 2.35 H new ATOM 0 HD12 ILE A 9 3.906 11.920 -6.640 1.00 2.35 H new ATOM 0 HD13 ILE A 9 5.222 13.032 -7.084 1.00 2.35 H new ATOM 141 N ALA A 10 0.639 14.141 -9.487 1.00 2.97 N ATOM 142 CA ALA A 10 -0.312 14.645 -10.486 1.00 3.26 C ATOM 143 C ALA A 10 -1.704 14.068 -10.239 1.00 3.27 C ATOM 144 O ALA A 10 -2.712 14.690 -10.584 1.00 3.43 O ATOM 145 CB ALA A 10 0.164 14.341 -11.899 1.00 3.61 C ATOM 0 H ALA A 10 1.445 13.657 -9.883 1.00 2.97 H new ATOM 0 HA ALA A 10 -0.369 15.729 -10.384 1.00 3.26 H new ATOM 0 HB1 ALA A 10 -0.560 14.726 -12.617 1.00 3.61 H new ATOM 0 HB2 ALA A 10 1.130 14.816 -12.068 1.00 3.61 H new ATOM 0 HB3 ALA A 10 0.263 13.263 -12.026 1.00 3.61 H new ATOM 151 N GLU A 11 -1.737 12.870 -9.636 1.00 3.14 N ATOM 152 CA GLU A 11 -2.996 12.223 -9.257 1.00 3.18 C ATOM 153 C GLU A 11 -3.453 12.756 -7.909 1.00 2.87 C ATOM 154 O GLU A 11 -4.650 12.801 -7.612 1.00 2.94 O ATOM 155 CB GLU A 11 -2.832 10.706 -9.159 1.00 3.24 C ATOM 156 CG GLU A 11 -2.472 10.013 -10.472 1.00 3.63 C ATOM 157 CD GLU A 11 -3.672 9.806 -11.381 1.00 3.78 C ATOM 158 OE1 GLU A 11 -3.932 10.684 -12.231 1.00 4.13 O ATOM 159 OE2 GLU A 11 -4.349 8.766 -11.243 1.00 3.90 O ATOM 0 H GLU A 11 -0.903 12.331 -9.401 1.00 3.14 H new ATOM 0 HA GLU A 11 -3.736 12.445 -10.026 1.00 3.18 H new ATOM 0 HB2 GLU A 11 -2.058 10.485 -8.424 1.00 3.24 H new ATOM 0 HB3 GLU A 11 -3.761 10.278 -8.782 1.00 3.24 H new ATOM 0 HG2 GLU A 11 -1.723 10.607 -10.997 1.00 3.63 H new ATOM 0 HG3 GLU A 11 -2.017 9.047 -10.254 1.00 3.63 H new ATOM 166 N PHE A 12 -2.464 13.158 -7.106 1.00 2.56 N ATOM 167 CA PHE A 12 -2.697 13.715 -5.777 1.00 2.24 C ATOM 168 C PHE A 12 -3.316 15.115 -5.860 1.00 2.30 C ATOM 169 O PHE A 12 -4.199 15.443 -5.062 1.00 2.22 O ATOM 170 CB PHE A 12 -1.382 13.769 -4.984 1.00 1.94 C ATOM 171 CG PHE A 12 -0.850 12.429 -4.494 1.00 1.85 C ATOM 172 CD1 PHE A 12 -1.443 11.218 -4.852 1.00 2.28 C ATOM 173 CD2 PHE A 12 0.247 12.390 -3.640 1.00 2.07 C ATOM 174 CE1 PHE A 12 -0.958 10.026 -4.367 1.00 2.34 C ATOM 175 CE2 PHE A 12 0.733 11.188 -3.161 1.00 2.03 C ATOM 176 CZ PHE A 12 0.119 10.004 -3.527 1.00 1.90 C ATOM 0 H PHE A 12 -1.478 13.105 -7.363 1.00 2.56 H new ATOM 0 HA PHE A 12 -3.401 13.062 -5.261 1.00 2.24 H new ATOM 0 HB2 PHE A 12 -0.621 14.234 -5.610 1.00 1.94 H new ATOM 0 HB3 PHE A 12 -1.526 14.419 -4.121 1.00 1.94 H new ATOM 0 HD1 PHE A 12 -2.293 11.217 -5.518 1.00 2.28 H new ATOM 0 HD2 PHE A 12 0.726 13.312 -3.347 1.00 2.07 H new ATOM 0 HE1 PHE A 12 -1.433 9.099 -4.653 1.00 2.34 H new ATOM 0 HE2 PHE A 12 1.589 11.173 -2.503 1.00 2.03 H new ATOM 0 HZ PHE A 12 0.491 9.063 -3.149 1.00 1.90 H new ATOM 186 N LYS A 13 -2.852 15.942 -6.827 1.00 2.51 N ATOM 187 CA LYS A 13 -3.394 17.303 -6.996 1.00 2.67 C ATOM 188 C LYS A 13 -4.751 17.284 -7.688 1.00 2.96 C ATOM 189 O LYS A 13 -5.502 18.252 -7.595 1.00 3.07 O ATOM 190 CB LYS A 13 -2.429 18.257 -7.727 1.00 2.86 C ATOM 191 CG LYS A 13 -1.610 17.634 -8.862 1.00 3.04 C ATOM 192 CD LYS A 13 -0.105 17.747 -8.603 1.00 2.93 C ATOM 193 CE LYS A 13 0.438 19.146 -8.895 1.00 3.15 C ATOM 194 NZ LYS A 13 1.902 19.238 -8.637 1.00 3.58 N ATOM 0 H LYS A 13 -2.117 15.693 -7.489 1.00 2.51 H new ATOM 0 HA LYS A 13 -3.521 17.695 -5.987 1.00 2.67 H new ATOM 0 HB2 LYS A 13 -3.007 19.087 -8.134 1.00 2.86 H new ATOM 0 HB3 LYS A 13 -1.740 18.678 -6.995 1.00 2.86 H new ATOM 0 HG2 LYS A 13 -1.882 16.584 -8.973 1.00 3.04 H new ATOM 0 HG3 LYS A 13 -1.856 18.129 -9.802 1.00 3.04 H new ATOM 0 HD2 LYS A 13 0.101 17.491 -7.564 1.00 2.93 H new ATOM 0 HD3 LYS A 13 0.422 17.020 -9.221 1.00 2.93 H new ATOM 0 HE2 LYS A 13 0.236 19.404 -9.934 1.00 3.15 H new ATOM 0 HE3 LYS A 13 -0.086 19.875 -8.277 1.00 3.15 H new ATOM 0 HZ1 LYS A 13 2.232 20.202 -8.847 1.00 3.58 H new ATOM 0 HZ2 LYS A 13 2.093 19.016 -7.639 1.00 3.58 H new ATOM 0 HZ3 LYS A 13 2.405 18.560 -9.245 1.00 3.58 H new ATOM 208 N GLU A 14 -5.062 16.185 -8.392 1.00 3.12 N ATOM 209 CA GLU A 14 -6.365 16.042 -9.049 1.00 3.43 C ATOM 210 C GLU A 14 -7.463 15.816 -8.000 1.00 3.34 C ATOM 211 O GLU A 14 -8.614 16.216 -8.196 1.00 3.56 O ATOM 212 CB GLU A 14 -6.345 14.880 -10.047 1.00 3.67 C ATOM 213 CG GLU A 14 -5.632 15.205 -11.350 1.00 4.07 C ATOM 214 CD GLU A 14 -5.634 14.041 -12.321 1.00 4.36 C ATOM 215 OE1 GLU A 14 -6.583 13.941 -13.127 1.00 4.71 O ATOM 216 OE2 GLU A 14 -4.685 13.229 -12.277 1.00 4.52 O ATOM 0 H GLU A 14 -4.434 15.391 -8.519 1.00 3.12 H new ATOM 0 HA GLU A 14 -6.577 16.961 -9.595 1.00 3.43 H new ATOM 0 HB2 GLU A 14 -5.860 14.022 -9.582 1.00 3.67 H new ATOM 0 HB3 GLU A 14 -7.371 14.585 -10.268 1.00 3.67 H new ATOM 0 HG2 GLU A 14 -6.112 16.065 -11.818 1.00 4.07 H new ATOM 0 HG3 GLU A 14 -4.603 15.492 -11.135 1.00 4.07 H new ATOM 223 N ALA A 15 -7.078 15.167 -6.887 1.00 3.04 N ATOM 224 CA ALA A 15 -7.994 14.870 -5.784 1.00 2.97 C ATOM 225 C ALA A 15 -8.067 15.991 -4.752 1.00 2.76 C ATOM 226 O ALA A 15 -9.144 16.532 -4.508 1.00 2.91 O ATOM 227 CB ALA A 15 -7.602 13.551 -5.109 1.00 2.84 C ATOM 0 H ALA A 15 -6.125 14.837 -6.732 1.00 3.04 H new ATOM 0 HA ALA A 15 -8.989 14.778 -6.218 1.00 2.97 H new ATOM 0 HB1 ALA A 15 -8.291 13.342 -4.291 1.00 2.84 H new ATOM 0 HB2 ALA A 15 -7.648 12.742 -5.838 1.00 2.84 H new ATOM 0 HB3 ALA A 15 -6.588 13.630 -4.718 1.00 2.84 H new ATOM 233 N PHE A 16 -6.922 16.326 -4.134 1.00 2.45 N ATOM 234 CA PHE A 16 -6.853 17.388 -3.114 1.00 2.28 C ATOM 235 C PHE A 16 -7.540 18.660 -3.598 1.00 2.56 C ATOM 236 O PHE A 16 -8.274 19.307 -2.853 1.00 2.60 O ATOM 237 CB PHE A 16 -5.388 17.699 -2.788 1.00 2.02 C ATOM 238 CG PHE A 16 -5.147 18.572 -1.568 1.00 1.86 C ATOM 239 CD1 PHE A 16 -4.508 18.044 -0.455 1.00 2.18 C ATOM 240 CD2 PHE A 16 -5.527 19.915 -1.545 1.00 2.17 C ATOM 241 CE1 PHE A 16 -4.252 18.817 0.652 1.00 2.21 C ATOM 242 CE2 PHE A 16 -5.273 20.693 -0.426 1.00 2.07 C ATOM 243 CZ PHE A 16 -4.632 20.136 0.674 1.00 1.79 C ATOM 0 H PHE A 16 -6.027 15.875 -4.324 1.00 2.45 H new ATOM 0 HA PHE A 16 -7.367 17.033 -2.221 1.00 2.28 H new ATOM 0 HB2 PHE A 16 -4.860 16.756 -2.645 1.00 2.02 H new ATOM 0 HB3 PHE A 16 -4.940 18.187 -3.653 1.00 2.02 H new ATOM 0 HD1 PHE A 16 -4.206 17.007 -0.459 1.00 2.18 H new ATOM 0 HD2 PHE A 16 -6.021 20.349 -2.402 1.00 2.17 H new ATOM 0 HE1 PHE A 16 -3.751 18.386 1.506 1.00 2.21 H new ATOM 0 HE2 PHE A 16 -5.573 21.730 -0.409 1.00 2.07 H new ATOM 0 HZ PHE A 16 -4.433 20.741 1.546 1.00 1.79 H new ATOM 253 N SER A 17 -7.299 18.987 -4.862 1.00 2.80 N ATOM 254 CA SER A 17 -7.845 20.176 -5.468 1.00 3.11 C ATOM 255 C SER A 17 -9.348 20.088 -5.705 1.00 3.36 C ATOM 256 O SER A 17 -10.000 21.120 -5.889 1.00 3.59 O ATOM 257 CB SER A 17 -7.124 20.491 -6.775 1.00 3.33 C ATOM 258 OG SER A 17 -7.486 21.766 -7.279 1.00 3.30 O ATOM 0 H SER A 17 -6.718 18.429 -5.488 1.00 2.80 H new ATOM 0 HA SER A 17 -7.683 20.987 -4.758 1.00 3.11 H new ATOM 0 HB2 SER A 17 -6.047 20.456 -6.614 1.00 3.33 H new ATOM 0 HB3 SER A 17 -7.361 19.726 -7.515 1.00 3.33 H new ATOM 0 HG SER A 17 -8.408 21.971 -7.018 1.00 3.30 H new ATOM 264 N LEU A 18 -9.906 18.866 -5.717 1.00 3.35 N ATOM 265 CA LEU A 18 -11.336 18.707 -5.930 1.00 3.63 C ATOM 266 C LEU A 18 -12.108 19.238 -4.727 1.00 3.56 C ATOM 267 O LEU A 18 -13.307 19.524 -4.791 1.00 3.81 O ATOM 268 CB LEU A 18 -11.674 17.248 -6.265 1.00 3.72 C ATOM 269 CG LEU A 18 -12.020 16.361 -5.079 1.00 3.54 C ATOM 270 CD1 LEU A 18 -13.521 16.361 -4.809 1.00 3.79 C ATOM 271 CD2 LEU A 18 -11.516 14.938 -5.272 1.00 3.53 C ATOM 0 H LEU A 18 -9.392 17.995 -5.584 1.00 3.35 H new ATOM 0 HA LEU A 18 -11.644 19.299 -6.791 1.00 3.63 H new ATOM 0 HB2 LEU A 18 -12.515 17.239 -6.959 1.00 3.72 H new ATOM 0 HB3 LEU A 18 -10.825 16.809 -6.788 1.00 3.72 H new ATOM 0 HG LEU A 18 -11.513 16.780 -4.210 1.00 3.54 H new ATOM 0 HD11 LEU A 18 -13.737 15.718 -3.956 1.00 3.79 H new ATOM 0 HD12 LEU A 18 -13.851 17.377 -4.591 1.00 3.79 H new ATOM 0 HD13 LEU A 18 -14.049 15.988 -5.687 1.00 3.79 H new ATOM 0 HD21 LEU A 18 -11.783 14.336 -4.403 1.00 3.53 H new ATOM 0 HD22 LEU A 18 -11.971 14.509 -6.165 1.00 3.53 H new ATOM 0 HD23 LEU A 18 -10.432 14.948 -5.387 1.00 3.53 H new ATOM 283 N PHE A 19 -11.363 19.349 -3.649 1.00 3.24 N ATOM 284 CA PHE A 19 -11.851 19.863 -2.377 1.00 3.16 C ATOM 285 C PHE A 19 -11.121 21.166 -2.049 1.00 3.11 C ATOM 286 O PHE A 19 -11.294 21.734 -0.966 1.00 3.07 O ATOM 287 CB PHE A 19 -11.584 18.855 -1.256 1.00 2.89 C ATOM 288 CG PHE A 19 -12.213 17.494 -1.434 1.00 3.01 C ATOM 289 CD1 PHE A 19 -11.428 16.399 -1.760 1.00 3.31 C ATOM 290 CD2 PHE A 19 -13.576 17.306 -1.258 1.00 3.27 C ATOM 291 CE1 PHE A 19 -11.988 15.146 -1.905 1.00 3.50 C ATOM 292 CE2 PHE A 19 -14.142 16.053 -1.406 1.00 3.41 C ATOM 293 CZ PHE A 19 -13.346 14.971 -1.729 1.00 3.37 C ATOM 0 H PHE A 19 -10.379 19.080 -3.626 1.00 3.24 H new ATOM 0 HA PHE A 19 -12.924 20.036 -2.457 1.00 3.16 H new ATOM 0 HB2 PHE A 19 -10.506 18.726 -1.158 1.00 2.89 H new ATOM 0 HB3 PHE A 19 -11.941 19.280 -0.318 1.00 2.89 H new ATOM 0 HD1 PHE A 19 -10.365 16.528 -1.902 1.00 3.31 H new ATOM 0 HD2 PHE A 19 -14.202 18.148 -1.002 1.00 3.27 H new ATOM 0 HE1 PHE A 19 -11.363 14.302 -2.156 1.00 3.50 H new ATOM 0 HE2 PHE A 19 -15.205 15.920 -1.269 1.00 3.41 H new ATOM 0 HZ PHE A 19 -13.785 13.991 -1.844 1.00 3.37 H new ATOM 303 N ALA A 20 -10.306 21.634 -3.012 1.00 3.18 N ATOM 304 CA ALA A 20 -9.477 22.857 -2.844 1.00 3.22 C ATOM 305 C ALA A 20 -10.253 24.087 -2.349 1.00 3.51 C ATOM 306 O ALA A 20 -11.348 24.386 -2.832 1.00 3.80 O ATOM 307 CB ALA A 20 -8.758 23.203 -4.139 1.00 3.38 C ATOM 0 H ALA A 20 -10.199 21.186 -3.922 1.00 3.18 H new ATOM 0 HA ALA A 20 -8.759 22.607 -2.063 1.00 3.22 H new ATOM 0 HB1 ALA A 20 -8.158 24.101 -3.993 1.00 3.38 H new ATOM 0 HB2 ALA A 20 -8.110 22.376 -4.427 1.00 3.38 H new ATOM 0 HB3 ALA A 20 -9.491 23.381 -4.926 1.00 3.38 H new ATOM 354 N ASP A 24 -5.248 29.364 1.477 1.00 3.98 N ATOM 355 CA ASP A 24 -3.896 28.848 1.179 1.00 3.89 C ATOM 356 C ASP A 24 -3.945 27.672 0.193 1.00 3.62 C ATOM 357 O ASP A 24 -2.918 27.268 -0.361 1.00 3.56 O ATOM 358 CB ASP A 24 -3.196 28.412 2.470 1.00 3.77 C ATOM 359 CG ASP A 24 -2.828 29.585 3.361 1.00 4.13 C ATOM 360 OD1 ASP A 24 -1.713 30.124 3.201 1.00 4.50 O ATOM 361 OD2 ASP A 24 -3.655 29.963 4.217 1.00 4.32 O ATOM 0 HA ASP A 24 -3.331 29.657 0.715 1.00 3.89 H new ATOM 0 HB2 ASP A 24 -3.847 27.733 3.020 1.00 3.77 H new ATOM 0 HB3 ASP A 24 -2.294 27.854 2.219 1.00 3.77 H new ATOM 366 N GLY A 25 -5.158 27.144 -0.008 1.00 3.50 N ATOM 367 CA GLY A 25 -5.386 26.034 -0.924 1.00 3.30 C ATOM 368 C GLY A 25 -5.281 24.734 -0.184 1.00 2.90 C ATOM 369 O GLY A 25 -4.489 23.853 -0.531 1.00 2.69 O ATOM 0 H GLY A 25 -6.001 27.476 0.460 1.00 3.50 H new ATOM 0 HA2 GLY A 25 -6.372 26.124 -1.381 1.00 3.30 H new ATOM 0 HA3 GLY A 25 -4.656 26.062 -1.733 1.00 3.30 H new ATOM 373 N THR A 26 -6.112 24.645 0.850 1.00 2.85 N ATOM 374 CA THR A 26 -6.139 23.503 1.736 1.00 2.53 C ATOM 375 C THR A 26 -7.425 22.690 1.610 1.00 2.45 C ATOM 376 O THR A 26 -8.316 23.039 0.829 1.00 2.66 O ATOM 377 CB THR A 26 -5.980 23.955 3.193 1.00 2.59 C ATOM 378 OG1 THR A 26 -7.066 24.797 3.596 1.00 2.84 O ATOM 379 CG2 THR A 26 -4.679 24.676 3.362 1.00 2.74 C ATOM 0 H THR A 26 -6.786 25.371 1.092 1.00 2.85 H new ATOM 0 HA THR A 26 -5.306 22.864 1.442 1.00 2.53 H new ATOM 0 HB THR A 26 -5.988 23.069 3.828 1.00 2.59 H new ATOM 0 HG1 THR A 26 -7.134 24.798 4.574 1.00 2.84 H new ATOM 0 HG21 THR A 26 -4.572 24.995 4.399 1.00 2.74 H new ATOM 0 HG22 THR A 26 -3.857 24.010 3.100 1.00 2.74 H new ATOM 0 HG23 THR A 26 -4.660 25.549 2.710 1.00 2.74 H new ATOM 387 N ILE A 27 -7.513 21.604 2.401 1.00 2.21 N ATOM 388 CA ILE A 27 -8.694 20.720 2.405 1.00 2.22 C ATOM 389 C ILE A 27 -8.878 20.148 3.810 1.00 2.15 C ATOM 390 O ILE A 27 -8.162 20.542 4.731 1.00 2.13 O ATOM 391 CB ILE A 27 -8.637 19.571 1.332 1.00 2.13 C ATOM 392 CG1 ILE A 27 -7.484 18.594 1.612 1.00 1.82 C ATOM 393 CG2 ILE A 27 -8.562 20.157 -0.075 1.00 2.31 C ATOM 394 CD1 ILE A 27 -7.511 17.343 0.756 1.00 1.79 C ATOM 0 H ILE A 27 -6.778 21.317 3.047 1.00 2.21 H new ATOM 0 HA ILE A 27 -9.554 21.327 2.123 1.00 2.22 H new ATOM 0 HB ILE A 27 -9.558 18.993 1.402 1.00 2.13 H new ATOM 0 HG12 ILE A 27 -6.538 19.110 1.452 1.00 1.82 H new ATOM 0 HG13 ILE A 27 -7.515 18.303 2.662 1.00 1.82 H new ATOM 0 HG21 ILE A 27 -8.523 19.348 -0.804 1.00 2.31 H new ATOM 0 HG22 ILE A 27 -9.443 20.771 -0.261 1.00 2.31 H new ATOM 0 HG23 ILE A 27 -7.666 20.771 -0.166 1.00 2.31 H new ATOM 0 HD11 ILE A 27 -6.665 16.707 1.015 1.00 1.79 H new ATOM 0 HD12 ILE A 27 -8.440 16.801 0.933 1.00 1.79 H new ATOM 0 HD13 ILE A 27 -7.447 17.621 -0.296 1.00 1.79 H new ATOM 406 N THR A 28 -9.838 19.247 3.980 1.00 2.23 N ATOM 407 CA THR A 28 -10.081 18.637 5.287 1.00 2.29 C ATOM 408 C THR A 28 -9.712 17.159 5.240 1.00 2.17 C ATOM 409 O THR A 28 -9.909 16.481 4.228 1.00 2.04 O ATOM 410 CB THR A 28 -11.545 18.812 5.778 1.00 2.57 C ATOM 411 OG1 THR A 28 -12.443 18.030 4.978 1.00 2.86 O ATOM 412 CG2 THR A 28 -11.989 20.273 5.741 1.00 3.10 C ATOM 0 H THR A 28 -10.458 18.923 3.238 1.00 2.23 H new ATOM 0 HA THR A 28 -9.449 19.158 6.007 1.00 2.29 H new ATOM 0 HB THR A 28 -11.574 18.468 6.812 1.00 2.57 H new ATOM 0 HG1 THR A 28 -12.676 18.527 4.166 1.00 2.86 H new ATOM 0 HG21 THR A 28 -13.018 20.350 6.092 1.00 3.10 H new ATOM 0 HG22 THR A 28 -11.341 20.867 6.385 1.00 3.10 H new ATOM 0 HG23 THR A 28 -11.926 20.647 4.719 1.00 3.10 H new ATOM 420 N THR A 29 -9.168 16.695 6.362 1.00 2.30 N ATOM 421 CA THR A 29 -8.658 15.325 6.551 1.00 2.30 C ATOM 422 C THR A 29 -9.535 14.194 6.014 1.00 2.50 C ATOM 423 O THR A 29 -9.033 13.314 5.308 1.00 2.44 O ATOM 424 CB THR A 29 -8.372 15.076 8.020 1.00 2.48 C ATOM 425 OG1 THR A 29 -9.478 15.490 8.834 1.00 2.75 O ATOM 426 CG2 THR A 29 -7.121 15.834 8.392 1.00 2.32 C ATOM 0 H THR A 29 -9.063 17.274 7.195 1.00 2.30 H new ATOM 0 HA THR A 29 -7.752 15.294 5.946 1.00 2.30 H new ATOM 0 HB THR A 29 -8.226 14.010 8.192 1.00 2.48 H new ATOM 0 HG1 THR A 29 -9.272 15.319 9.777 1.00 2.75 H new ATOM 0 HG21 THR A 29 -6.896 15.669 9.446 1.00 2.32 H new ATOM 0 HG22 THR A 29 -6.288 15.482 7.784 1.00 2.32 H new ATOM 0 HG23 THR A 29 -7.275 16.899 8.216 1.00 2.32 H new ATOM 434 N LYS A 30 -10.829 14.207 6.356 1.00 2.77 N ATOM 435 CA LYS A 30 -11.771 13.167 5.900 1.00 3.04 C ATOM 436 C LYS A 30 -11.772 13.039 4.370 1.00 2.98 C ATOM 437 O LYS A 30 -11.870 11.934 3.829 1.00 3.14 O ATOM 438 CB LYS A 30 -13.193 13.473 6.398 1.00 3.33 C ATOM 439 CG LYS A 30 -13.397 13.255 7.897 1.00 3.42 C ATOM 440 CD LYS A 30 -13.008 14.484 8.710 1.00 3.38 C ATOM 441 CE LYS A 30 -13.223 14.258 10.198 1.00 3.68 C ATOM 442 NZ LYS A 30 -12.846 15.453 11.002 1.00 3.70 N ATOM 0 H LYS A 30 -11.251 14.924 6.946 1.00 2.77 H new ATOM 0 HA LYS A 30 -11.439 12.218 6.321 1.00 3.04 H new ATOM 0 HB2 LYS A 30 -13.434 14.508 6.158 1.00 3.33 H new ATOM 0 HB3 LYS A 30 -13.899 12.846 5.853 1.00 3.33 H new ATOM 0 HG2 LYS A 30 -14.441 13.009 8.089 1.00 3.42 H new ATOM 0 HG3 LYS A 30 -12.803 12.401 8.223 1.00 3.42 H new ATOM 0 HD2 LYS A 30 -11.962 14.728 8.525 1.00 3.38 H new ATOM 0 HD3 LYS A 30 -13.597 15.340 8.382 1.00 3.38 H new ATOM 0 HE2 LYS A 30 -14.269 14.013 10.380 1.00 3.68 H new ATOM 0 HE3 LYS A 30 -12.634 13.401 10.524 1.00 3.68 H new ATOM 0 HZ1 LYS A 30 -13.007 15.258 12.011 1.00 3.70 H new ATOM 0 HZ2 LYS A 30 -11.841 15.672 10.848 1.00 3.70 H new ATOM 0 HZ3 LYS A 30 -13.426 16.265 10.709 1.00 3.70 H new ATOM 456 N GLU A 31 -11.661 14.188 3.698 1.00 2.81 N ATOM 457 CA GLU A 31 -11.639 14.255 2.234 1.00 2.81 C ATOM 458 C GLU A 31 -10.221 14.146 1.650 1.00 2.52 C ATOM 459 O GLU A 31 -10.080 14.001 0.430 1.00 2.57 O ATOM 460 CB GLU A 31 -12.314 15.551 1.760 1.00 2.89 C ATOM 461 CG GLU A 31 -13.802 15.627 2.097 1.00 3.24 C ATOM 462 CD GLU A 31 -14.371 17.030 1.978 1.00 3.22 C ATOM 463 OE1 GLU A 31 -13.906 17.927 2.715 1.00 3.26 O ATOM 464 OE2 GLU A 31 -15.290 17.229 1.157 1.00 3.60 O ATOM 0 H GLU A 31 -11.584 15.098 4.153 1.00 2.81 H new ATOM 0 HA GLU A 31 -12.194 13.392 1.866 1.00 2.81 H new ATOM 0 HB2 GLU A 31 -11.804 16.402 2.212 1.00 2.89 H new ATOM 0 HB3 GLU A 31 -12.190 15.641 0.681 1.00 2.89 H new ATOM 0 HG2 GLU A 31 -14.353 14.961 1.433 1.00 3.24 H new ATOM 0 HG3 GLU A 31 -13.957 15.264 3.113 1.00 3.24 H new ATOM 471 N LEU A 32 -9.163 14.206 2.497 1.00 2.26 N ATOM 472 CA LEU A 32 -7.785 14.110 1.978 1.00 1.98 C ATOM 473 C LEU A 32 -7.398 12.686 1.653 1.00 2.07 C ATOM 474 O LEU A 32 -6.683 12.437 0.687 1.00 1.98 O ATOM 475 CB LEU A 32 -6.737 14.786 2.876 1.00 1.69 C ATOM 476 CG LEU A 32 -6.355 14.208 4.262 1.00 1.74 C ATOM 477 CD1 LEU A 32 -5.587 12.897 4.223 1.00 1.76 C ATOM 478 CD2 LEU A 32 -5.454 15.204 4.905 1.00 1.59 C ATOM 0 H LEU A 32 -9.236 14.317 3.508 1.00 2.26 H new ATOM 0 HA LEU A 32 -7.790 14.675 1.046 1.00 1.98 H new ATOM 0 HB2 LEU A 32 -5.817 14.847 2.295 1.00 1.69 H new ATOM 0 HB3 LEU A 32 -7.077 15.808 3.043 1.00 1.69 H new ATOM 0 HG LEU A 32 -7.289 14.014 4.790 1.00 1.74 H new ATOM 0 HD11 LEU A 32 -5.366 12.574 5.240 1.00 1.76 H new ATOM 0 HD12 LEU A 32 -6.189 12.137 3.724 1.00 1.76 H new ATOM 0 HD13 LEU A 32 -4.654 13.038 3.677 1.00 1.76 H new ATOM 0 HD21 LEU A 32 -5.155 14.842 5.889 1.00 1.59 H new ATOM 0 HD22 LEU A 32 -4.568 15.346 4.286 1.00 1.59 H new ATOM 0 HD23 LEU A 32 -5.978 16.154 5.011 1.00 1.59 H new ATOM 490 N GLY A 33 -7.845 11.759 2.489 1.00 2.31 N ATOM 491 CA GLY A 33 -7.596 10.349 2.234 1.00 2.52 C ATOM 492 C GLY A 33 -8.291 9.907 0.981 1.00 2.75 C ATOM 493 O GLY A 33 -7.982 8.859 0.431 1.00 2.91 O ATOM 0 H GLY A 33 -8.375 11.955 3.338 1.00 2.31 H new ATOM 0 HA2 GLY A 33 -6.524 10.175 2.142 1.00 2.52 H new ATOM 0 HA3 GLY A 33 -7.945 9.754 3.078 1.00 2.52 H new ATOM 497 N THR A 34 -9.276 10.715 0.563 1.00 2.81 N ATOM 498 CA THR A 34 -10.005 10.484 -0.670 1.00 3.07 C ATOM 499 C THR A 34 -9.062 10.695 -1.839 1.00 2.93 C ATOM 500 O THR A 34 -9.309 10.273 -2.971 1.00 3.16 O ATOM 501 CB THR A 34 -11.290 11.346 -0.784 1.00 3.23 C ATOM 502 OG1 THR A 34 -11.958 11.393 0.484 1.00 3.30 O ATOM 503 CG2 THR A 34 -12.254 10.789 -1.830 1.00 3.60 C ATOM 0 H THR A 34 -9.581 11.542 1.076 1.00 2.81 H new ATOM 0 HA THR A 34 -10.362 9.454 -0.677 1.00 3.07 H new ATOM 0 HB THR A 34 -10.987 12.347 -1.092 1.00 3.23 H new ATOM 0 HG1 THR A 34 -12.842 11.801 0.373 1.00 3.30 H new ATOM 0 HG21 THR A 34 -13.141 11.420 -1.880 1.00 3.60 H new ATOM 0 HG22 THR A 34 -11.765 10.773 -2.804 1.00 3.60 H new ATOM 0 HG23 THR A 34 -12.545 9.776 -1.554 1.00 3.60 H new ATOM 511 N VAL A 35 -7.984 11.371 -1.495 1.00 2.56 N ATOM 512 CA VAL A 35 -6.863 11.605 -2.397 1.00 2.39 C ATOM 513 C VAL A 35 -6.026 10.343 -2.342 1.00 2.44 C ATOM 514 O VAL A 35 -5.509 9.900 -3.360 1.00 2.53 O ATOM 515 CB VAL A 35 -5.905 12.793 -2.018 1.00 2.01 C ATOM 516 CG1 VAL A 35 -4.811 12.973 -3.073 1.00 1.92 C ATOM 517 CG2 VAL A 35 -6.620 14.118 -1.830 1.00 2.02 C ATOM 0 H VAL A 35 -7.856 11.781 -0.570 1.00 2.56 H new ATOM 0 HA VAL A 35 -7.288 11.863 -3.367 1.00 2.39 H new ATOM 0 HB VAL A 35 -5.470 12.513 -1.059 1.00 2.01 H new ATOM 0 HG11 VAL A 35 -4.162 13.801 -2.787 1.00 1.92 H new ATOM 0 HG12 VAL A 35 -4.222 12.059 -3.146 1.00 1.92 H new ATOM 0 HG13 VAL A 35 -5.269 13.188 -4.039 1.00 1.92 H new ATOM 0 HG21 VAL A 35 -5.895 14.889 -1.570 1.00 2.02 H new ATOM 0 HG22 VAL A 35 -7.126 14.393 -2.755 1.00 2.02 H new ATOM 0 HG23 VAL A 35 -7.353 14.025 -1.029 1.00 2.02 H new ATOM 527 N MET A 36 -5.916 9.764 -1.125 1.00 2.44 N ATOM 528 CA MET A 36 -5.116 8.571 -0.933 1.00 2.55 C ATOM 529 C MET A 36 -5.871 7.286 -1.310 1.00 2.97 C ATOM 530 O MET A 36 -5.265 6.328 -1.797 1.00 3.11 O ATOM 531 CB MET A 36 -4.657 8.488 0.516 1.00 2.49 C ATOM 532 CG MET A 36 -3.298 7.821 0.711 1.00 2.24 C ATOM 533 SD MET A 36 -2.854 7.623 2.452 1.00 2.48 S ATOM 534 CE MET A 36 -2.356 9.290 2.893 1.00 1.96 C ATOM 0 H MET A 36 -6.372 10.111 -0.281 1.00 2.44 H new ATOM 0 HA MET A 36 -4.256 8.649 -1.599 1.00 2.55 H new ATOM 0 HB2 MET A 36 -4.616 9.496 0.929 1.00 2.49 H new ATOM 0 HB3 MET A 36 -5.403 7.938 1.090 1.00 2.49 H new ATOM 0 HG2 MET A 36 -3.307 6.843 0.230 1.00 2.24 H new ATOM 0 HG3 MET A 36 -2.533 8.415 0.211 1.00 2.24 H new ATOM 0 HE1 MET A 36 -2.740 9.534 3.884 1.00 1.96 H new ATOM 0 HE2 MET A 36 -1.268 9.355 2.899 1.00 1.96 H new ATOM 0 HE3 MET A 36 -2.758 9.994 2.165 1.00 1.96 H new ATOM 544 N ARG A 37 -7.197 7.283 -1.080 1.00 3.18 N ATOM 545 CA ARG A 37 -8.040 6.118 -1.334 1.00 3.60 C ATOM 546 C ARG A 37 -8.295 5.857 -2.828 1.00 3.77 C ATOM 547 O ARG A 37 -8.700 4.754 -3.208 1.00 4.10 O ATOM 548 CB ARG A 37 -9.391 6.293 -0.627 1.00 3.78 C ATOM 549 CG ARG A 37 -9.566 5.459 0.640 1.00 4.18 C ATOM 550 CD ARG A 37 -10.064 4.046 0.341 1.00 4.52 C ATOM 551 NE ARG A 37 -11.440 4.033 -0.176 1.00 4.90 N ATOM 552 CZ ARG A 37 -12.109 2.930 -0.540 1.00 5.36 C ATOM 553 NH1 ARG A 37 -11.549 1.724 -0.454 1.00 5.45 N ATOM 554 NH2 ARG A 37 -13.351 3.037 -0.993 1.00 5.91 N ATOM 0 H ARG A 37 -7.705 8.088 -0.714 1.00 3.18 H new ATOM 0 HA ARG A 37 -7.497 5.258 -0.943 1.00 3.60 H new ATOM 0 HB2 ARG A 37 -9.518 7.345 -0.372 1.00 3.78 H new ATOM 0 HB3 ARG A 37 -10.187 6.036 -1.326 1.00 3.78 H new ATOM 0 HG2 ARG A 37 -8.615 5.402 1.169 1.00 4.18 H new ATOM 0 HG3 ARG A 37 -10.271 5.957 1.305 1.00 4.18 H new ATOM 0 HD2 ARG A 37 -9.401 3.577 -0.386 1.00 4.52 H new ATOM 0 HD3 ARG A 37 -10.015 3.447 1.250 1.00 4.52 H new ATOM 0 HE ARG A 37 -11.921 4.928 -0.264 1.00 4.90 H new ATOM 0 HH11 ARG A 37 -10.595 1.628 -0.106 1.00 5.45 H new ATOM 0 HH12 ARG A 37 -12.074 0.896 -0.736 1.00 5.45 H new ATOM 0 HH21 ARG A 37 -13.791 3.954 -1.063 1.00 5.91 H new ATOM 0 HH22 ARG A 37 -13.866 2.202 -1.272 1.00 5.91 H new ATOM 568 N SER A 38 -8.055 6.877 -3.655 1.00 3.57 N ATOM 569 CA SER A 38 -8.304 6.807 -5.106 1.00 3.76 C ATOM 570 C SER A 38 -7.225 6.054 -5.895 1.00 3.81 C ATOM 571 O SER A 38 -7.546 5.383 -6.881 1.00 4.08 O ATOM 572 CB SER A 38 -8.455 8.217 -5.676 1.00 3.59 C ATOM 573 OG SER A 38 -9.637 8.836 -5.200 1.00 3.89 O ATOM 0 H SER A 38 -7.684 7.775 -3.344 1.00 3.57 H new ATOM 0 HA SER A 38 -9.225 6.236 -5.222 1.00 3.76 H new ATOM 0 HB2 SER A 38 -7.589 8.819 -5.400 1.00 3.59 H new ATOM 0 HB3 SER A 38 -8.478 8.172 -6.765 1.00 3.59 H new ATOM 0 HG SER A 38 -9.512 9.105 -4.266 1.00 3.89 H new ATOM 579 N LEU A 39 -5.958 6.159 -5.470 1.00 3.59 N ATOM 580 CA LEU A 39 -4.847 5.495 -6.182 1.00 3.65 C ATOM 581 C LEU A 39 -4.705 4.014 -5.803 1.00 3.91 C ATOM 582 O LEU A 39 -3.898 3.289 -6.396 1.00 4.06 O ATOM 583 CB LEU A 39 -3.521 6.218 -5.926 1.00 3.29 C ATOM 584 CG LEU A 39 -3.546 7.718 -6.204 1.00 3.06 C ATOM 585 CD1 LEU A 39 -3.775 8.468 -4.916 1.00 2.78 C ATOM 586 CD2 LEU A 39 -2.269 8.179 -6.872 1.00 3.19 C ATOM 0 H LEU A 39 -5.675 6.690 -4.647 1.00 3.59 H new ATOM 0 HA LEU A 39 -5.091 5.546 -7.243 1.00 3.65 H new ATOM 0 HB2 LEU A 39 -3.232 6.060 -4.887 1.00 3.29 H new ATOM 0 HB3 LEU A 39 -2.749 5.761 -6.545 1.00 3.29 H new ATOM 0 HG LEU A 39 -4.365 7.927 -6.892 1.00 3.06 H new ATOM 0 HD11 LEU A 39 -3.792 9.539 -5.117 1.00 2.78 H new ATOM 0 HD12 LEU A 39 -4.728 8.164 -4.483 1.00 2.78 H new ATOM 0 HD13 LEU A 39 -2.970 8.243 -4.216 1.00 2.78 H new ATOM 0 HD21 LEU A 39 -2.321 9.252 -7.055 1.00 3.19 H new ATOM 0 HD22 LEU A 39 -1.420 7.963 -6.223 1.00 3.19 H new ATOM 0 HD23 LEU A 39 -2.144 7.655 -7.819 1.00 3.19 H new ATOM 598 N GLY A 40 -5.503 3.579 -4.827 1.00 4.01 N ATOM 599 CA GLY A 40 -5.457 2.201 -4.360 1.00 4.30 C ATOM 600 C GLY A 40 -4.778 2.091 -3.010 1.00 4.16 C ATOM 601 O GLY A 40 -4.055 1.126 -2.745 1.00 4.36 O ATOM 0 H GLY A 40 -6.187 4.164 -4.347 1.00 4.01 H new ATOM 0 HA2 GLY A 40 -6.470 1.806 -4.291 1.00 4.30 H new ATOM 0 HA3 GLY A 40 -4.924 1.588 -5.087 1.00 4.30 H new ATOM 605 N GLN A 41 -5.022 3.095 -2.160 1.00 3.86 N ATOM 606 CA GLN A 41 -4.448 3.169 -0.818 1.00 3.74 C ATOM 607 C GLN A 41 -5.496 3.756 0.121 1.00 3.60 C ATOM 608 O GLN A 41 -6.620 4.014 -0.305 1.00 3.46 O ATOM 609 CB GLN A 41 -3.175 4.038 -0.816 1.00 3.47 C ATOM 610 CG GLN A 41 -1.985 3.402 -1.522 1.00 3.68 C ATOM 611 CD GLN A 41 -0.727 4.240 -1.413 1.00 3.94 C ATOM 612 OE1 GLN A 41 0.057 4.085 -0.476 1.00 4.34 O ATOM 613 NE2 GLN A 41 -0.527 5.136 -2.373 1.00 4.15 N ATOM 0 H GLN A 41 -5.628 3.883 -2.389 1.00 3.86 H new ATOM 0 HA GLN A 41 -4.165 2.171 -0.483 1.00 3.74 H new ATOM 0 HB2 GLN A 41 -3.399 4.992 -1.293 1.00 3.47 H new ATOM 0 HB3 GLN A 41 -2.898 4.255 0.216 1.00 3.47 H new ATOM 0 HG2 GLN A 41 -1.799 2.416 -1.096 1.00 3.68 H new ATOM 0 HG3 GLN A 41 -2.228 3.253 -2.574 1.00 3.68 H new ATOM 0 HE21 GLN A 41 -1.203 5.231 -3.131 1.00 4.15 H new ATOM 0 HE22 GLN A 41 0.302 5.729 -2.352 1.00 4.15 H new ATOM 622 N ASN A 42 -5.159 3.924 1.405 1.00 3.76 N ATOM 623 CA ASN A 42 -6.091 4.506 2.368 1.00 3.68 C ATOM 624 C ASN A 42 -5.363 4.860 3.689 1.00 3.53 C ATOM 625 O ASN A 42 -4.577 4.040 4.172 1.00 3.67 O ATOM 626 CB ASN A 42 -7.277 3.550 2.662 1.00 4.06 C ATOM 627 CG ASN A 42 -6.850 2.180 3.181 1.00 4.60 C ATOM 628 OD1 ASN A 42 -6.631 1.250 2.405 1.00 4.82 O ATOM 629 ND2 ASN A 42 -6.733 2.057 4.498 1.00 5.19 N ATOM 0 H ASN A 42 -4.253 3.666 1.796 1.00 3.76 H new ATOM 0 HA ASN A 42 -6.489 5.418 1.924 1.00 3.68 H new ATOM 0 HB2 ASN A 42 -7.935 4.017 3.395 1.00 4.06 H new ATOM 0 HB3 ASN A 42 -7.859 3.417 1.750 1.00 4.06 H new ATOM 0 HD21 ASN A 42 -6.451 1.165 4.904 1.00 5.19 H new ATOM 0 HD22 ASN A 42 -6.925 2.855 5.104 1.00 5.19 H new ATOM 636 N PRO A 43 -5.595 6.065 4.302 1.00 3.30 N ATOM 637 CA PRO A 43 -4.947 6.449 5.568 1.00 3.22 C ATOM 638 C PRO A 43 -5.747 6.000 6.802 1.00 3.54 C ATOM 639 O PRO A 43 -6.868 5.498 6.669 1.00 3.81 O ATOM 640 CB PRO A 43 -4.892 7.985 5.486 1.00 2.89 C ATOM 641 CG PRO A 43 -5.698 8.384 4.282 1.00 2.92 C ATOM 642 CD PRO A 43 -6.461 7.165 3.834 1.00 3.17 C ATOM 0 HA PRO A 43 -3.971 5.979 5.684 1.00 3.22 H new ATOM 0 HB2 PRO A 43 -5.300 8.435 6.391 1.00 2.89 H new ATOM 0 HB3 PRO A 43 -3.862 8.331 5.394 1.00 2.89 H new ATOM 0 HG2 PRO A 43 -6.381 9.197 4.528 1.00 2.92 H new ATOM 0 HG3 PRO A 43 -5.047 8.745 3.486 1.00 2.92 H new ATOM 0 HD2 PRO A 43 -7.454 7.119 4.281 1.00 3.17 H new ATOM 0 HD3 PRO A 43 -6.597 7.144 2.753 1.00 3.17 H new ATOM 650 N THR A 44 -5.161 6.185 8.000 1.00 3.56 N ATOM 651 CA THR A 44 -5.812 5.809 9.269 1.00 3.90 C ATOM 652 C THR A 44 -6.951 6.779 9.625 1.00 3.85 C ATOM 653 O THR A 44 -7.100 7.823 8.988 1.00 3.54 O ATOM 654 CB THR A 44 -4.802 5.753 10.440 1.00 4.01 C ATOM 655 OG1 THR A 44 -3.483 6.098 9.992 1.00 3.86 O ATOM 656 CG2 THR A 44 -4.779 4.366 11.064 1.00 4.50 C ATOM 0 H THR A 44 -4.234 6.594 8.115 1.00 3.56 H new ATOM 0 HA THR A 44 -6.227 4.812 9.119 1.00 3.90 H new ATOM 0 HB THR A 44 -5.123 6.476 11.190 1.00 4.01 H new ATOM 0 HG1 THR A 44 -2.823 5.554 10.470 1.00 3.86 H new ATOM 0 HG21 THR A 44 -4.062 4.348 11.885 1.00 4.50 H new ATOM 0 HG22 THR A 44 -5.771 4.121 11.443 1.00 4.50 H new ATOM 0 HG23 THR A 44 -4.487 3.633 10.312 1.00 4.50 H new ATOM 664 N GLU A 45 -7.750 6.418 10.643 1.00 4.21 N ATOM 665 CA GLU A 45 -8.896 7.232 11.079 1.00 4.27 C ATOM 666 C GLU A 45 -8.494 8.418 11.971 1.00 4.16 C ATOM 667 O GLU A 45 -8.977 9.535 11.766 1.00 4.02 O ATOM 668 CB GLU A 45 -9.919 6.356 11.815 1.00 4.73 C ATOM 669 CG GLU A 45 -10.706 5.428 10.901 1.00 4.87 C ATOM 670 CD GLU A 45 -11.694 4.564 11.661 1.00 5.41 C ATOM 671 OE1 GLU A 45 -11.309 3.455 12.085 1.00 5.67 O ATOM 672 OE2 GLU A 45 -12.853 4.997 11.831 1.00 5.89 O ATOM 0 H GLU A 45 -7.621 5.562 11.182 1.00 4.21 H new ATOM 0 HA GLU A 45 -9.339 7.650 10.175 1.00 4.27 H new ATOM 0 HB2 GLU A 45 -9.399 5.758 12.563 1.00 4.73 H new ATOM 0 HB3 GLU A 45 -10.616 7.000 12.350 1.00 4.73 H new ATOM 0 HG2 GLU A 45 -11.242 6.022 10.161 1.00 4.87 H new ATOM 0 HG3 GLU A 45 -10.013 4.788 10.355 1.00 4.87 H new ATOM 679 N ALA A 46 -7.614 8.169 12.951 1.00 4.29 N ATOM 680 CA ALA A 46 -7.175 9.213 13.890 1.00 4.30 C ATOM 681 C ALA A 46 -5.900 9.924 13.445 1.00 3.96 C ATOM 682 O ALA A 46 -5.727 11.115 13.721 1.00 3.93 O ATOM 683 CB ALA A 46 -6.958 8.620 15.272 1.00 4.70 C ATOM 0 H ALA A 46 -7.192 7.255 13.115 1.00 4.29 H new ATOM 0 HA ALA A 46 -7.972 9.956 13.914 1.00 4.30 H new ATOM 0 HB1 ALA A 46 -6.633 9.403 15.957 1.00 4.70 H new ATOM 0 HB2 ALA A 46 -7.891 8.186 15.632 1.00 4.70 H new ATOM 0 HB3 ALA A 46 -6.194 7.844 15.219 1.00 4.70 H new ATOM 689 N GLU A 47 -5.011 9.194 12.757 1.00 3.76 N ATOM 690 CA GLU A 47 -3.726 9.739 12.301 1.00 3.47 C ATOM 691 C GLU A 47 -3.862 10.933 11.363 1.00 3.09 C ATOM 692 O GLU A 47 -2.943 11.746 11.281 1.00 2.91 O ATOM 693 CB GLU A 47 -2.872 8.641 11.662 1.00 3.43 C ATOM 694 CG GLU A 47 -2.230 7.701 12.672 1.00 3.78 C ATOM 695 CD GLU A 47 -1.294 6.698 12.026 1.00 3.77 C ATOM 696 OE1 GLU A 47 -0.173 7.094 11.643 1.00 3.72 O ATOM 697 OE2 GLU A 47 -1.680 5.517 11.906 1.00 4.19 O ATOM 0 H GLU A 47 -5.161 8.218 12.503 1.00 3.76 H new ATOM 0 HA GLU A 47 -3.224 10.116 13.192 1.00 3.47 H new ATOM 0 HB2 GLU A 47 -3.494 8.059 10.981 1.00 3.43 H new ATOM 0 HB3 GLU A 47 -2.089 9.105 11.062 1.00 3.43 H new ATOM 0 HG2 GLU A 47 -1.677 8.286 13.407 1.00 3.78 H new ATOM 0 HG3 GLU A 47 -3.011 7.167 13.213 1.00 3.78 H new ATOM 704 N LEU A 48 -4.999 11.057 10.667 1.00 3.03 N ATOM 705 CA LEU A 48 -5.229 12.207 9.778 1.00 2.71 C ATOM 706 C LEU A 48 -5.206 13.504 10.585 1.00 2.75 C ATOM 707 O LEU A 48 -4.953 14.573 10.057 1.00 2.53 O ATOM 708 CB LEU A 48 -6.571 12.132 9.062 1.00 2.77 C ATOM 709 CG LEU A 48 -6.995 10.769 8.539 1.00 2.90 C ATOM 710 CD1 LEU A 48 -8.481 10.542 8.775 1.00 3.19 C ATOM 711 CD2 LEU A 48 -6.672 10.696 7.069 1.00 2.63 C ATOM 0 H LEU A 48 -5.766 10.386 10.700 1.00 3.03 H new ATOM 0 HA LEU A 48 -4.432 12.186 9.035 1.00 2.71 H new ATOM 0 HB2 LEU A 48 -7.341 12.488 9.746 1.00 2.77 H new ATOM 0 HB3 LEU A 48 -6.547 12.826 8.221 1.00 2.77 H new ATOM 0 HG LEU A 48 -6.454 9.987 9.072 1.00 2.90 H new ATOM 0 HD11 LEU A 48 -8.764 9.561 8.394 1.00 3.19 H new ATOM 0 HD12 LEU A 48 -8.691 10.590 9.843 1.00 3.19 H new ATOM 0 HD13 LEU A 48 -9.053 11.312 8.257 1.00 3.19 H new ATOM 0 HD21 LEU A 48 -6.971 9.723 6.679 1.00 2.63 H new ATOM 0 HD22 LEU A 48 -7.211 11.481 6.539 1.00 2.63 H new ATOM 0 HD23 LEU A 48 -5.600 10.831 6.925 1.00 2.63 H new ATOM 723 N GLN A 49 -5.521 13.381 11.873 1.00 3.08 N ATOM 724 CA GLN A 49 -5.511 14.512 12.798 1.00 3.22 C ATOM 725 C GLN A 49 -4.083 14.874 13.232 1.00 3.25 C ATOM 726 O GLN A 49 -3.765 16.058 13.364 1.00 3.25 O ATOM 727 CB GLN A 49 -6.364 14.202 14.033 1.00 3.61 C ATOM 728 CG GLN A 49 -7.863 14.213 13.766 1.00 3.67 C ATOM 729 CD GLN A 49 -8.678 13.912 15.009 1.00 4.10 C ATOM 730 OE1 GLN A 49 -9.051 14.817 15.755 1.00 4.58 O ATOM 731 NE2 GLN A 49 -8.958 12.634 15.238 1.00 4.30 N ATOM 0 H GLN A 49 -5.790 12.496 12.304 1.00 3.08 H new ATOM 0 HA GLN A 49 -5.934 15.368 12.272 1.00 3.22 H new ATOM 0 HB2 GLN A 49 -6.081 13.224 14.421 1.00 3.61 H new ATOM 0 HB3 GLN A 49 -6.138 14.931 14.811 1.00 3.61 H new ATOM 0 HG2 GLN A 49 -8.152 15.188 13.374 1.00 3.67 H new ATOM 0 HG3 GLN A 49 -8.097 13.478 12.996 1.00 3.67 H new ATOM 0 HE21 GLN A 49 -8.628 11.916 14.593 1.00 4.30 H new ATOM 0 HE22 GLN A 49 -9.503 12.370 16.059 1.00 4.30 H new ATOM 740 N ASP A 50 -3.230 13.853 13.455 1.00 3.34 N ATOM 741 CA ASP A 50 -1.845 14.087 13.895 1.00 3.43 C ATOM 742 C ASP A 50 -0.848 14.280 12.736 1.00 3.13 C ATOM 743 O ASP A 50 -0.035 15.206 12.773 1.00 3.13 O ATOM 744 CB ASP A 50 -1.371 12.963 14.803 1.00 3.76 C ATOM 745 CG ASP A 50 -2.064 12.969 16.154 1.00 4.11 C ATOM 746 OD1 ASP A 50 -1.553 13.634 17.080 1.00 4.38 O ATOM 747 OD2 ASP A 50 -3.116 12.309 16.284 1.00 4.38 O ATOM 0 H ASP A 50 -3.475 12.870 13.338 1.00 3.34 H new ATOM 0 HA ASP A 50 -1.867 15.027 14.447 1.00 3.43 H new ATOM 0 HB2 ASP A 50 -1.549 12.006 14.312 1.00 3.76 H new ATOM 0 HB3 ASP A 50 -0.295 13.050 14.951 1.00 3.76 H new ATOM 752 N MET A 51 -0.888 13.393 11.721 1.00 2.93 N ATOM 753 CA MET A 51 0.023 13.482 10.546 1.00 2.66 C ATOM 754 C MET A 51 -0.218 14.767 9.790 1.00 2.39 C ATOM 755 O MET A 51 0.699 15.356 9.210 1.00 2.30 O ATOM 756 CB MET A 51 -0.152 12.269 9.620 1.00 2.59 C ATOM 757 CG MET A 51 -0.247 10.933 10.360 1.00 2.35 C ATOM 758 SD MET A 51 -0.662 9.525 9.296 1.00 2.18 S ATOM 759 CE MET A 51 -2.232 10.020 8.576 1.00 2.48 C ATOM 0 H MET A 51 -1.537 12.607 11.685 1.00 2.93 H new ATOM 0 HA MET A 51 1.050 13.480 10.911 1.00 2.66 H new ATOM 0 HB2 MET A 51 -1.053 12.407 9.023 1.00 2.59 H new ATOM 0 HB3 MET A 51 0.688 12.230 8.926 1.00 2.59 H new ATOM 0 HG2 MET A 51 0.705 10.734 10.852 1.00 2.35 H new ATOM 0 HG3 MET A 51 -1.000 11.017 11.144 1.00 2.35 H new ATOM 0 HE1 MET A 51 -3.004 9.304 8.859 1.00 2.48 H new ATOM 0 HE2 MET A 51 -2.504 11.010 8.941 1.00 2.48 H new ATOM 0 HE3 MET A 51 -2.142 10.046 7.490 1.00 2.48 H new ATOM 769 N ILE A 52 -1.469 15.173 9.815 1.00 2.33 N ATOM 770 CA ILE A 52 -1.920 16.406 9.224 1.00 2.15 C ATOM 771 C ILE A 52 -1.564 17.564 10.135 1.00 2.40 C ATOM 772 O ILE A 52 -1.482 18.697 9.707 1.00 2.36 O ATOM 773 CB ILE A 52 -3.431 16.286 8.939 1.00 2.10 C ATOM 774 CG1 ILE A 52 -3.603 15.736 7.537 1.00 1.78 C ATOM 775 CG2 ILE A 52 -4.222 17.577 9.132 1.00 2.22 C ATOM 776 CD1 ILE A 52 -3.632 14.221 7.465 1.00 1.85 C ATOM 0 H ILE A 52 -2.216 14.639 10.259 1.00 2.33 H new ATOM 0 HA ILE A 52 -1.424 16.602 8.273 1.00 2.15 H new ATOM 0 HB ILE A 52 -3.852 15.608 9.681 1.00 2.10 H new ATOM 0 HG12 ILE A 52 -4.529 16.127 7.116 1.00 1.78 H new ATOM 0 HG13 ILE A 52 -2.789 16.103 6.912 1.00 1.78 H new ATOM 0 HG21 ILE A 52 -5.274 17.396 8.909 1.00 2.22 H new ATOM 0 HG22 ILE A 52 -4.123 17.914 10.164 1.00 2.22 H new ATOM 0 HG23 ILE A 52 -3.836 18.344 8.461 1.00 2.22 H new ATOM 0 HD11 ILE A 52 -3.758 13.908 6.428 1.00 1.85 H new ATOM 0 HD12 ILE A 52 -2.696 13.820 7.854 1.00 1.85 H new ATOM 0 HD13 ILE A 52 -4.463 13.844 8.061 1.00 1.85 H new ATOM 788 N ASN A 53 -1.339 17.240 11.399 1.00 2.72 N ATOM 789 CA ASN A 53 -0.939 18.215 12.394 1.00 3.03 C ATOM 790 C ASN A 53 0.524 18.532 12.234 1.00 3.09 C ATOM 791 O ASN A 53 1.078 19.439 12.851 1.00 3.36 O ATOM 792 CB ASN A 53 -1.241 17.676 13.793 1.00 3.37 C ATOM 793 CG ASN A 53 -1.141 18.723 14.892 1.00 3.66 C ATOM 794 OD1 ASN A 53 -2.122 19.391 15.220 1.00 3.89 O ATOM 795 ND2 ASN A 53 0.048 18.868 15.465 1.00 3.98 N ATOM 0 H ASN A 53 -1.430 16.291 11.761 1.00 2.72 H new ATOM 0 HA ASN A 53 -1.503 19.137 12.256 1.00 3.03 H new ATOM 0 HB2 ASN A 53 -2.245 17.252 13.799 1.00 3.37 H new ATOM 0 HB3 ASN A 53 -0.550 16.863 14.015 1.00 3.37 H new ATOM 0 HD21 ASN A 53 0.175 19.554 16.209 1.00 3.98 H new ATOM 0 HD22 ASN A 53 0.834 18.293 15.162 1.00 3.98 H new ATOM 802 N GLU A 54 1.114 17.695 11.449 1.00 2.90 N ATOM 803 CA GLU A 54 2.507 17.815 11.059 1.00 2.96 C ATOM 804 C GLU A 54 2.629 18.685 9.804 1.00 2.77 C ATOM 805 O GLU A 54 3.703 19.216 9.508 1.00 2.93 O ATOM 806 CB GLU A 54 3.110 16.428 10.792 1.00 2.91 C ATOM 807 CG GLU A 54 3.242 15.562 12.038 1.00 3.22 C ATOM 808 CD GLU A 54 3.770 14.175 11.731 1.00 3.25 C ATOM 809 OE1 GLU A 54 2.948 13.273 11.462 1.00 3.56 O ATOM 810 OE2 GLU A 54 5.005 13.990 11.759 1.00 3.40 O ATOM 0 H GLU A 54 0.644 16.885 11.044 1.00 2.90 H new ATOM 0 HA GLU A 54 3.056 18.286 11.875 1.00 2.96 H new ATOM 0 HB2 GLU A 54 2.489 15.907 10.063 1.00 2.91 H new ATOM 0 HB3 GLU A 54 4.095 16.551 10.341 1.00 2.91 H new ATOM 0 HG2 GLU A 54 3.909 16.052 12.747 1.00 3.22 H new ATOM 0 HG3 GLU A 54 2.269 15.477 12.522 1.00 3.22 H new ATOM 817 N VAL A 55 1.509 18.817 9.080 1.00 2.49 N ATOM 818 CA VAL A 55 1.468 19.600 7.840 1.00 2.36 C ATOM 819 C VAL A 55 0.359 20.656 7.812 1.00 2.40 C ATOM 820 O VAL A 55 0.469 21.644 7.076 1.00 2.49 O ATOM 821 CB VAL A 55 1.381 18.652 6.596 1.00 1.99 C ATOM 822 CG1 VAL A 55 1.070 19.394 5.294 1.00 2.37 C ATOM 823 CG2 VAL A 55 2.672 17.855 6.443 1.00 2.07 C ATOM 0 H VAL A 55 0.618 18.390 9.334 1.00 2.49 H new ATOM 0 HA VAL A 55 2.403 20.159 7.799 1.00 2.36 H new ATOM 0 HB VAL A 55 0.547 17.975 6.783 1.00 1.99 H new ATOM 0 HG11 VAL A 55 1.023 18.681 4.471 1.00 2.37 H new ATOM 0 HG12 VAL A 55 0.112 19.905 5.386 1.00 2.37 H new ATOM 0 HG13 VAL A 55 1.853 20.126 5.096 1.00 2.37 H new ATOM 0 HG21 VAL A 55 2.595 17.201 5.574 1.00 2.07 H new ATOM 0 HG22 VAL A 55 3.509 18.540 6.309 1.00 2.07 H new ATOM 0 HG23 VAL A 55 2.836 17.253 7.337 1.00 2.07 H new ATOM 833 N ALA A 56 -0.677 20.479 8.616 1.00 2.43 N ATOM 834 CA ALA A 56 -1.784 21.426 8.625 1.00 2.53 C ATOM 835 C ALA A 56 -1.726 22.232 9.901 1.00 2.90 C ATOM 836 O ALA A 56 -2.692 22.892 10.305 1.00 3.05 O ATOM 837 CB ALA A 56 -3.101 20.691 8.470 1.00 2.36 C ATOM 0 H ALA A 56 -0.776 19.698 9.265 1.00 2.43 H new ATOM 0 HA ALA A 56 -1.704 22.113 7.783 1.00 2.53 H new ATOM 0 HB1 ALA A 56 -3.921 21.409 8.478 1.00 2.36 H new ATOM 0 HB2 ALA A 56 -3.105 20.146 7.526 1.00 2.36 H new ATOM 0 HB3 ALA A 56 -3.225 19.989 9.294 1.00 2.36 H new ATOM 843 N ALA A 57 -0.544 22.176 10.513 1.00 3.08 N ATOM 844 CA ALA A 57 -0.274 22.878 11.747 1.00 3.45 C ATOM 845 C ALA A 57 0.087 24.321 11.488 1.00 3.67 C ATOM 846 O ALA A 57 0.712 24.646 10.477 1.00 3.69 O ATOM 847 CB ALA A 57 0.799 22.158 12.546 1.00 3.64 C ATOM 0 H ALA A 57 0.248 21.639 10.159 1.00 3.08 H new ATOM 0 HA ALA A 57 -1.184 22.883 12.346 1.00 3.45 H new ATOM 0 HB1 ALA A 57 0.989 22.701 13.472 1.00 3.64 H new ATOM 0 HB2 ALA A 57 0.462 21.148 12.780 1.00 3.64 H new ATOM 0 HB3 ALA A 57 1.717 22.108 11.960 1.00 3.64 H new ATOM 886 N GLY A 61 -6.753 25.945 9.978 1.00 3.52 N ATOM 887 CA GLY A 61 -7.681 24.948 10.503 1.00 3.44 C ATOM 888 C GLY A 61 -7.848 23.733 9.598 1.00 3.11 C ATOM 889 O GLY A 61 -8.600 22.814 9.933 1.00 3.10 O ATOM 0 HA2 GLY A 61 -7.331 24.617 11.481 1.00 3.44 H new ATOM 0 HA3 GLY A 61 -8.655 25.414 10.654 1.00 3.44 H new ATOM 893 N THR A 62 -7.149 23.731 8.456 1.00 2.91 N ATOM 894 CA THR A 62 -7.201 22.616 7.510 1.00 2.61 C ATOM 895 C THR A 62 -5.808 22.283 6.969 1.00 2.41 C ATOM 896 O THR A 62 -4.812 22.888 7.377 1.00 2.55 O ATOM 897 CB THR A 62 -8.189 22.870 6.347 1.00 2.62 C ATOM 898 OG1 THR A 62 -8.093 24.227 5.900 1.00 2.84 O ATOM 899 CG2 THR A 62 -9.613 22.574 6.791 1.00 2.75 C ATOM 0 H THR A 62 -6.538 24.495 8.166 1.00 2.91 H new ATOM 0 HA THR A 62 -7.573 21.756 8.067 1.00 2.61 H new ATOM 0 HB THR A 62 -7.929 22.206 5.522 1.00 2.62 H new ATOM 0 HG1 THR A 62 -8.825 24.419 5.278 1.00 2.84 H new ATOM 0 HG21 THR A 62 -10.298 22.757 5.963 1.00 2.75 H new ATOM 0 HG22 THR A 62 -9.688 21.532 7.101 1.00 2.75 H new ATOM 0 HG23 THR A 62 -9.875 23.221 7.628 1.00 2.75 H new ATOM 907 N ILE A 63 -5.765 21.337 6.032 1.00 2.14 N ATOM 908 CA ILE A 63 -4.527 20.839 5.448 1.00 1.93 C ATOM 909 C ILE A 63 -4.267 21.423 4.092 1.00 1.95 C ATOM 910 O ILE A 63 -5.160 21.505 3.267 1.00 1.99 O ATOM 911 CB ILE A 63 -4.586 19.352 5.159 1.00 1.63 C ATOM 912 CG1 ILE A 63 -5.753 18.674 5.857 1.00 1.70 C ATOM 913 CG2 ILE A 63 -3.297 18.583 5.457 1.00 1.51 C ATOM 914 CD1 ILE A 63 -6.710 18.083 4.894 1.00 1.95 C ATOM 0 H ILE A 63 -6.601 20.891 5.654 1.00 2.14 H new ATOM 0 HA ILE A 63 -3.768 21.104 6.184 1.00 1.93 H new ATOM 0 HB ILE A 63 -4.731 19.311 4.079 1.00 1.63 H new ATOM 0 HG12 ILE A 63 -5.376 17.894 6.518 1.00 1.70 H new ATOM 0 HG13 ILE A 63 -6.271 19.400 6.484 1.00 1.70 H new ATOM 0 HG21 ILE A 63 -3.439 17.529 5.218 1.00 1.51 H new ATOM 0 HG22 ILE A 63 -2.485 18.986 4.852 1.00 1.51 H new ATOM 0 HG23 ILE A 63 -3.048 18.686 6.513 1.00 1.51 H new ATOM 0 HD11 ILE A 63 -7.527 17.609 5.438 1.00 1.95 H new ATOM 0 HD12 ILE A 63 -7.109 18.867 4.250 1.00 1.95 H new ATOM 0 HD13 ILE A 63 -6.199 17.337 4.285 1.00 1.95 H new ATOM 926 N ASP A 64 -3.015 21.683 3.844 1.00 2.01 N ATOM 927 CA ASP A 64 -2.563 22.218 2.584 1.00 2.12 C ATOM 928 C ASP A 64 -1.947 21.090 1.737 1.00 1.86 C ATOM 929 O ASP A 64 -1.666 20.006 2.262 1.00 1.62 O ATOM 930 CB ASP A 64 -1.584 23.391 2.777 1.00 2.46 C ATOM 931 CG ASP A 64 -0.285 23.012 3.480 1.00 2.46 C ATOM 932 OD1 ASP A 64 0.674 22.619 2.782 1.00 2.68 O ATOM 933 OD2 ASP A 64 -0.232 23.109 4.724 1.00 2.74 O ATOM 0 H ASP A 64 -2.266 21.528 4.519 1.00 2.01 H new ATOM 0 HA ASP A 64 -3.422 22.625 2.050 1.00 2.12 H new ATOM 0 HB2 ASP A 64 -1.346 23.815 1.801 1.00 2.46 H new ATOM 0 HB3 ASP A 64 -2.080 24.173 3.352 1.00 2.46 H new ATOM 938 N PHE A 65 -1.736 21.343 0.442 1.00 1.97 N ATOM 939 CA PHE A 65 -1.209 20.317 -0.465 1.00 1.80 C ATOM 940 C PHE A 65 0.349 20.173 -0.455 1.00 1.83 C ATOM 941 O PHE A 65 0.835 19.040 -0.473 1.00 1.60 O ATOM 942 CB PHE A 65 -1.685 20.592 -1.905 1.00 2.04 C ATOM 943 CG PHE A 65 -1.492 19.432 -2.861 1.00 1.95 C ATOM 944 CD1 PHE A 65 -2.252 18.288 -2.727 1.00 2.40 C ATOM 945 CD2 PHE A 65 -0.566 19.495 -3.889 1.00 2.11 C ATOM 946 CE1 PHE A 65 -2.113 17.223 -3.582 1.00 2.45 C ATOM 947 CE2 PHE A 65 -0.410 18.430 -4.759 1.00 2.08 C ATOM 948 CZ PHE A 65 -1.185 17.293 -4.604 1.00 1.96 C ATOM 0 H PHE A 65 -1.920 22.243 -0.001 1.00 1.97 H new ATOM 0 HA PHE A 65 -1.603 19.372 -0.092 1.00 1.80 H new ATOM 0 HB2 PHE A 65 -2.743 20.855 -1.881 1.00 2.04 H new ATOM 0 HB3 PHE A 65 -1.150 21.459 -2.292 1.00 2.04 H new ATOM 0 HD1 PHE A 65 -2.976 18.229 -1.928 1.00 2.40 H new ATOM 0 HD2 PHE A 65 0.039 20.381 -4.013 1.00 2.11 H new ATOM 0 HE1 PHE A 65 -2.722 16.340 -3.457 1.00 2.45 H new ATOM 0 HE2 PHE A 65 0.315 18.486 -5.558 1.00 2.08 H new ATOM 0 HZ PHE A 65 -1.064 16.461 -5.282 1.00 1.96 H new ATOM 958 N PRO A 66 1.158 21.299 -0.442 1.00 2.16 N ATOM 959 CA PRO A 66 2.654 21.255 -0.495 1.00 2.30 C ATOM 960 C PRO A 66 3.364 20.131 0.297 1.00 2.09 C ATOM 961 O PRO A 66 4.118 19.356 -0.294 1.00 2.04 O ATOM 962 CB PRO A 66 3.042 22.626 0.056 1.00 2.67 C ATOM 963 CG PRO A 66 1.964 23.530 -0.412 1.00 2.78 C ATOM 964 CD PRO A 66 0.695 22.716 -0.383 1.00 2.48 C ATOM 0 HA PRO A 66 2.975 21.030 -1.512 1.00 2.30 H new ATOM 0 HB2 PRO A 66 3.106 22.613 1.144 1.00 2.67 H new ATOM 0 HB3 PRO A 66 4.016 22.943 -0.317 1.00 2.67 H new ATOM 0 HG2 PRO A 66 1.881 24.405 0.233 1.00 2.78 H new ATOM 0 HG3 PRO A 66 2.170 23.895 -1.418 1.00 2.78 H new ATOM 0 HD2 PRO A 66 0.121 22.908 0.523 1.00 2.48 H new ATOM 0 HD3 PRO A 66 0.049 22.958 -1.227 1.00 2.48 H new ATOM 972 N GLU A 67 3.148 20.056 1.617 1.00 2.04 N ATOM 973 CA GLU A 67 3.795 19.037 2.454 1.00 1.95 C ATOM 974 C GLU A 67 2.999 17.753 2.571 1.00 1.60 C ATOM 975 O GLU A 67 3.490 16.732 3.061 1.00 1.59 O ATOM 976 CB GLU A 67 4.192 19.596 3.822 1.00 2.24 C ATOM 977 CG GLU A 67 5.423 20.489 3.784 1.00 2.61 C ATOM 978 CD GLU A 67 5.787 21.038 5.149 1.00 3.15 C ATOM 979 OE1 GLU A 67 5.286 22.125 5.505 1.00 3.47 O ATOM 980 OE2 GLU A 67 6.574 20.381 5.863 1.00 3.66 O ATOM 0 H GLU A 67 2.531 20.688 2.128 1.00 2.04 H new ATOM 0 HA GLU A 67 4.712 18.762 1.933 1.00 1.95 H new ATOM 0 HB2 GLU A 67 3.355 20.163 4.230 1.00 2.24 H new ATOM 0 HB3 GLU A 67 4.377 18.766 4.504 1.00 2.24 H new ATOM 0 HG2 GLU A 67 6.266 19.923 3.388 1.00 2.61 H new ATOM 0 HG3 GLU A 67 5.245 21.318 3.099 1.00 2.61 H new ATOM 987 N PHE A 68 1.772 17.840 2.132 1.00 1.40 N ATOM 988 CA PHE A 68 0.823 16.714 2.134 1.00 1.10 C ATOM 989 C PHE A 68 1.405 15.517 1.352 1.00 0.99 C ATOM 990 O PHE A 68 1.176 14.365 1.723 1.00 0.94 O ATOM 991 CB PHE A 68 -0.512 17.203 1.546 1.00 1.04 C ATOM 992 CG PHE A 68 -1.638 16.195 1.421 1.00 0.89 C ATOM 993 CD1 PHE A 68 -2.275 15.641 2.536 1.00 1.36 C ATOM 994 CD2 PHE A 68 -2.117 15.864 0.160 1.00 1.60 C ATOM 995 CE1 PHE A 68 -3.341 14.798 2.379 1.00 1.57 C ATOM 996 CE2 PHE A 68 -3.183 15.001 0.005 1.00 1.57 C ATOM 997 CZ PHE A 68 -3.802 14.469 1.113 1.00 1.15 C ATOM 0 H PHE A 68 1.379 18.701 1.753 1.00 1.40 H new ATOM 0 HA PHE A 68 0.647 16.363 3.151 1.00 1.10 H new ATOM 0 HB2 PHE A 68 -0.868 18.029 2.162 1.00 1.04 H new ATOM 0 HB3 PHE A 68 -0.313 17.609 0.554 1.00 1.04 H new ATOM 0 HD1 PHE A 68 -1.923 15.880 3.528 1.00 1.36 H new ATOM 0 HD2 PHE A 68 -1.647 16.289 -0.715 1.00 1.60 H new ATOM 0 HE1 PHE A 68 -3.828 14.385 3.250 1.00 1.57 H new ATOM 0 HE2 PHE A 68 -3.531 14.744 -0.985 1.00 1.57 H new ATOM 0 HZ PHE A 68 -4.642 13.799 0.997 1.00 1.15 H new ATOM 1007 N LEU A 69 2.165 15.814 0.276 1.00 1.15 N ATOM 1008 CA LEU A 69 2.820 14.774 -0.543 1.00 1.24 C ATOM 1009 C LEU A 69 4.128 14.311 0.089 1.00 1.42 C ATOM 1010 O LEU A 69 4.507 13.145 -0.043 1.00 1.53 O ATOM 1011 CB LEU A 69 3.118 15.233 -1.976 1.00 1.51 C ATOM 1012 CG LEU A 69 2.280 16.382 -2.516 1.00 1.59 C ATOM 1013 CD1 LEU A 69 3.096 17.650 -2.501 1.00 1.82 C ATOM 1014 CD2 LEU A 69 1.815 16.077 -3.919 1.00 1.76 C ATOM 0 H LEU A 69 2.339 16.766 -0.045 1.00 1.15 H new ATOM 0 HA LEU A 69 2.105 13.952 -0.584 1.00 1.24 H new ATOM 0 HB2 LEU A 69 4.167 15.524 -2.028 1.00 1.51 H new ATOM 0 HB3 LEU A 69 2.991 14.378 -2.640 1.00 1.51 H new ATOM 0 HG LEU A 69 1.402 16.513 -1.883 1.00 1.59 H new ATOM 0 HD11 LEU A 69 2.496 18.474 -2.888 1.00 1.82 H new ATOM 0 HD12 LEU A 69 3.403 17.873 -1.479 1.00 1.82 H new ATOM 0 HD13 LEU A 69 3.980 17.521 -3.125 1.00 1.82 H new ATOM 0 HD21 LEU A 69 1.216 16.908 -4.293 1.00 1.76 H new ATOM 0 HD22 LEU A 69 2.680 15.933 -4.566 1.00 1.76 H new ATOM 0 HD23 LEU A 69 1.212 15.169 -3.913 1.00 1.76 H new ATOM 1026 N THR A 70 4.823 15.240 0.766 1.00 1.58 N ATOM 1027 CA THR A 70 6.102 14.920 1.430 1.00 1.88 C ATOM 1028 C THR A 70 5.864 13.977 2.608 1.00 1.87 C ATOM 1029 O THR A 70 6.697 13.117 2.909 1.00 2.04 O ATOM 1030 CB THR A 70 6.861 16.177 1.919 1.00 2.19 C ATOM 1031 OG1 THR A 70 6.014 16.992 2.732 1.00 2.14 O ATOM 1032 CG2 THR A 70 7.385 16.995 0.745 1.00 2.80 C ATOM 0 H THR A 70 4.526 16.210 0.869 1.00 1.58 H new ATOM 0 HA THR A 70 6.728 14.436 0.680 1.00 1.88 H new ATOM 0 HB THR A 70 7.710 15.838 2.513 1.00 2.19 H new ATOM 0 HG1 THR A 70 5.133 16.570 2.813 1.00 2.14 H new ATOM 0 HG21 THR A 70 7.914 17.872 1.119 1.00 2.80 H new ATOM 0 HG22 THR A 70 8.067 16.385 0.153 1.00 2.80 H new ATOM 0 HG23 THR A 70 6.549 17.314 0.122 1.00 2.80 H new ATOM 1040 N MET A 71 4.710 14.161 3.265 1.00 1.77 N ATOM 1041 CA MET A 71 4.293 13.316 4.384 1.00 1.91 C ATOM 1042 C MET A 71 3.647 12.017 3.861 1.00 1.83 C ATOM 1043 O MET A 71 3.618 11.006 4.563 1.00 2.06 O ATOM 1044 CB MET A 71 3.343 14.091 5.330 1.00 2.01 C ATOM 1045 CG MET A 71 1.987 14.483 4.730 1.00 2.31 C ATOM 1046 SD MET A 71 0.683 13.311 5.152 1.00 2.07 S ATOM 1047 CE MET A 71 -0.139 14.172 6.494 1.00 1.57 C ATOM 0 H MET A 71 4.044 14.898 3.034 1.00 1.77 H new ATOM 0 HA MET A 71 5.173 13.038 4.965 1.00 1.91 H new ATOM 0 HB2 MET A 71 3.166 13.482 6.217 1.00 2.01 H new ATOM 0 HB3 MET A 71 3.849 14.997 5.662 1.00 2.01 H new ATOM 0 HG2 MET A 71 1.709 15.475 5.085 1.00 2.31 H new ATOM 0 HG3 MET A 71 2.077 14.547 3.646 1.00 2.31 H new ATOM 0 HE1 MET A 71 -0.411 13.458 7.271 1.00 1.57 H new ATOM 0 HE2 MET A 71 0.533 14.923 6.910 1.00 1.57 H new ATOM 0 HE3 MET A 71 -1.039 14.659 6.117 1.00 1.57 H new ATOM 1057 N MET A 72 3.150 12.072 2.602 1.00 1.61 N ATOM 1058 CA MET A 72 2.496 10.933 1.924 1.00 1.69 C ATOM 1059 C MET A 72 3.344 9.655 1.974 1.00 1.97 C ATOM 1060 O MET A 72 2.806 8.559 2.152 1.00 2.17 O ATOM 1061 CB MET A 72 2.191 11.296 0.467 1.00 1.60 C ATOM 1062 CG MET A 72 0.771 11.793 0.248 1.00 1.46 C ATOM 1063 SD MET A 72 -0.461 10.490 0.425 1.00 1.69 S ATOM 1064 CE MET A 72 -1.938 11.361 -0.091 1.00 1.53 C ATOM 0 H MET A 72 3.193 12.914 2.027 1.00 1.61 H new ATOM 0 HA MET A 72 1.569 10.729 2.459 1.00 1.69 H new ATOM 0 HB2 MET A 72 2.891 12.065 0.139 1.00 1.60 H new ATOM 0 HB3 MET A 72 2.362 10.421 -0.160 1.00 1.60 H new ATOM 0 HG2 MET A 72 0.556 12.589 0.961 1.00 1.46 H new ATOM 0 HG3 MET A 72 0.693 12.228 -0.749 1.00 1.46 H new ATOM 0 HE1 MET A 72 -2.678 10.644 -0.446 1.00 1.53 H new ATOM 0 HE2 MET A 72 -2.347 11.916 0.753 1.00 1.53 H new ATOM 0 HE3 MET A 72 -1.690 12.054 -0.895 1.00 1.53 H new ATOM 1207 N SER A 81 3.158 -2.271 3.250 1.00 3.49 N ATOM 1208 CA SER A 81 2.766 -3.653 2.980 1.00 3.36 C ATOM 1209 C SER A 81 3.966 -4.578 2.757 1.00 2.88 C ATOM 1210 O SER A 81 3.843 -5.800 2.879 1.00 2.79 O ATOM 1211 CB SER A 81 1.835 -3.710 1.768 1.00 3.71 C ATOM 1212 OG SER A 81 0.659 -2.952 1.992 1.00 4.35 O ATOM 0 HA SER A 81 2.244 -4.011 3.867 1.00 3.36 H new ATOM 0 HB2 SER A 81 2.354 -3.330 0.888 1.00 3.71 H new ATOM 0 HB3 SER A 81 1.569 -4.746 1.558 1.00 3.71 H new ATOM 0 HG SER A 81 0.853 -2.226 2.622 1.00 4.35 H new ATOM 1218 N GLU A 82 5.116 -3.982 2.431 1.00 2.97 N ATOM 1219 CA GLU A 82 6.357 -4.735 2.167 1.00 3.25 C ATOM 1220 C GLU A 82 7.007 -5.246 3.445 1.00 3.85 C ATOM 1221 O GLU A 82 7.690 -6.273 3.442 1.00 4.27 O ATOM 1222 CB GLU A 82 7.354 -3.869 1.398 1.00 3.94 C ATOM 1223 CG GLU A 82 6.958 -3.599 -0.046 1.00 4.12 C ATOM 1224 CD GLU A 82 7.996 -2.784 -0.792 1.00 4.93 C ATOM 1225 OE1 GLU A 82 8.942 -3.387 -1.340 1.00 5.51 O ATOM 1226 OE2 GLU A 82 7.862 -1.542 -0.827 1.00 5.25 O ATOM 0 H GLU A 82 5.219 -2.971 2.342 1.00 2.97 H new ATOM 0 HA GLU A 82 6.079 -5.600 1.565 1.00 3.25 H new ATOM 0 HB2 GLU A 82 7.467 -2.917 1.916 1.00 3.94 H new ATOM 0 HB3 GLU A 82 8.329 -4.357 1.411 1.00 3.94 H new ATOM 0 HG2 GLU A 82 6.807 -4.548 -0.561 1.00 4.12 H new ATOM 0 HG3 GLU A 82 6.005 -3.071 -0.065 1.00 4.12 H new ATOM 1233 N GLU A 83 6.799 -4.505 4.522 1.00 4.18 N ATOM 1234 CA GLU A 83 7.324 -4.867 5.843 1.00 5.12 C ATOM 1235 C GLU A 83 6.467 -5.966 6.483 1.00 5.33 C ATOM 1236 O GLU A 83 6.932 -6.695 7.362 1.00 6.21 O ATOM 1237 CB GLU A 83 7.367 -3.640 6.761 1.00 5.53 C ATOM 1238 CG GLU A 83 8.469 -2.650 6.414 1.00 5.74 C ATOM 1239 CD GLU A 83 8.488 -1.451 7.342 1.00 6.48 C ATOM 1240 OE1 GLU A 83 9.186 -1.510 8.376 1.00 6.88 O ATOM 1241 OE2 GLU A 83 7.805 -0.451 7.033 1.00 6.89 O ATOM 0 H GLU A 83 6.264 -3.637 4.513 1.00 4.18 H new ATOM 0 HA GLU A 83 8.338 -5.244 5.711 1.00 5.12 H new ATOM 0 HB2 GLU A 83 6.405 -3.129 6.714 1.00 5.53 H new ATOM 0 HB3 GLU A 83 7.502 -3.973 7.790 1.00 5.53 H new ATOM 0 HG2 GLU A 83 9.434 -3.155 6.459 1.00 5.74 H new ATOM 0 HG3 GLU A 83 8.336 -2.308 5.388 1.00 5.74 H new ATOM 1248 N GLU A 84 5.212 -6.068 6.018 1.00 4.72 N ATOM 1249 CA GLU A 84 4.250 -7.054 6.521 1.00 5.16 C ATOM 1250 C GLU A 84 4.387 -8.431 5.852 1.00 4.87 C ATOM 1251 O GLU A 84 4.058 -9.445 6.474 1.00 5.53 O ATOM 1252 CB GLU A 84 2.819 -6.538 6.335 1.00 5.11 C ATOM 1253 CG GLU A 84 2.432 -5.432 7.306 1.00 5.77 C ATOM 1254 CD GLU A 84 1.009 -4.949 7.102 1.00 6.38 C ATOM 1255 OE1 GLU A 84 0.811 -4.004 6.310 1.00 6.86 O ATOM 1256 OE2 GLU A 84 0.093 -5.517 7.733 1.00 6.68 O ATOM 0 H GLU A 84 4.838 -5.468 5.283 1.00 4.72 H new ATOM 0 HA GLU A 84 4.472 -7.187 7.580 1.00 5.16 H new ATOM 0 HB2 GLU A 84 2.706 -6.169 5.316 1.00 5.11 H new ATOM 0 HB3 GLU A 84 2.125 -7.370 6.452 1.00 5.11 H new ATOM 0 HG2 GLU A 84 2.546 -5.794 8.328 1.00 5.77 H new ATOM 0 HG3 GLU A 84 3.117 -4.593 7.187 1.00 5.77 H new ATOM 1263 N ILE A 85 4.870 -8.475 4.590 1.00 3.98 N ATOM 1264 CA ILE A 85 5.014 -9.750 3.856 1.00 3.69 C ATOM 1265 C ILE A 85 6.043 -10.672 4.465 1.00 4.63 C ATOM 1266 O ILE A 85 5.710 -11.784 4.877 1.00 5.03 O ATOM 1267 CB ILE A 85 5.248 -9.557 2.335 1.00 2.77 C ATOM 1268 CG1 ILE A 85 6.374 -8.560 2.018 1.00 3.16 C ATOM 1269 CG2 ILE A 85 3.953 -9.085 1.720 1.00 1.99 C ATOM 1270 CD1 ILE A 85 7.372 -9.072 1.004 1.00 3.97 C ATOM 0 H ILE A 85 5.163 -7.652 4.064 1.00 3.98 H new ATOM 0 HA ILE A 85 4.048 -10.244 3.962 1.00 3.69 H new ATOM 0 HB ILE A 85 5.563 -10.513 1.916 1.00 2.77 H new ATOM 0 HG12 ILE A 85 5.934 -7.635 1.646 1.00 3.16 H new ATOM 0 HG13 ILE A 85 6.900 -8.314 2.940 1.00 3.16 H new ATOM 0 HG21 ILE A 85 4.090 -8.941 0.648 1.00 1.99 H new ATOM 0 HG22 ILE A 85 3.177 -9.831 1.889 1.00 1.99 H new ATOM 0 HG23 ILE A 85 3.656 -8.141 2.178 1.00 1.99 H new ATOM 0 HD11 ILE A 85 8.136 -8.314 0.831 1.00 3.97 H new ATOM 0 HD12 ILE A 85 7.841 -9.981 1.382 1.00 3.97 H new ATOM 0 HD13 ILE A 85 6.859 -9.290 0.067 1.00 3.97 H new ATOM 1282 N ARG A 86 7.273 -10.201 4.551 1.00 5.19 N ATOM 1283 CA ARG A 86 8.355 -10.971 5.173 1.00 6.32 C ATOM 1284 C ARG A 86 7.975 -11.382 6.578 1.00 7.11 C ATOM 1285 O ARG A 86 8.523 -12.341 7.132 1.00 7.98 O ATOM 1286 CB ARG A 86 9.605 -10.136 5.299 1.00 6.99 C ATOM 1287 CG ARG A 86 10.505 -10.196 4.076 1.00 7.36 C ATOM 1288 CD ARG A 86 11.747 -9.336 4.253 1.00 8.25 C ATOM 1289 NE ARG A 86 12.628 -9.397 3.081 1.00 8.76 N ATOM 1290 CZ ARG A 86 13.826 -8.800 2.995 1.00 9.65 C ATOM 1291 NH1 ARG A 86 14.315 -8.086 4.008 1.00 10.08 N ATOM 1292 NH2 ARG A 86 14.540 -8.922 1.884 1.00 10.26 N ATOM 0 H ARG A 86 7.557 -9.287 4.199 1.00 5.19 H new ATOM 0 HA ARG A 86 8.528 -11.841 4.539 1.00 6.32 H new ATOM 0 HB2 ARG A 86 9.322 -9.099 5.480 1.00 6.99 H new ATOM 0 HB3 ARG A 86 10.168 -10.470 6.170 1.00 6.99 H new ATOM 0 HG2 ARG A 86 10.800 -11.229 3.891 1.00 7.36 H new ATOM 0 HG3 ARG A 86 9.951 -9.861 3.199 1.00 7.36 H new ATOM 0 HD2 ARG A 86 11.450 -8.302 4.430 1.00 8.25 H new ATOM 0 HD3 ARG A 86 12.294 -9.666 5.136 1.00 8.25 H new ATOM 0 HE ARG A 86 12.306 -9.932 2.274 1.00 8.76 H new ATOM 0 HH11 ARG A 86 13.776 -7.986 4.868 1.00 10.08 H new ATOM 0 HH12 ARG A 86 15.228 -7.640 3.923 1.00 10.08 H new ATOM 0 HH21 ARG A 86 14.177 -9.467 1.102 1.00 10.26 H new ATOM 0 HH22 ARG A 86 15.452 -8.471 1.812 1.00 10.26 H new ATOM 1306 N GLU A 87 7.020 -10.637 7.141 1.00 6.95 N ATOM 1307 CA GLU A 87 6.586 -10.879 8.496 1.00 7.91 C ATOM 1308 C GLU A 87 5.499 -11.953 8.553 1.00 7.97 C ATOM 1309 O GLU A 87 5.412 -12.723 9.513 1.00 8.94 O ATOM 1310 CB GLU A 87 6.102 -9.592 9.166 1.00 8.02 C ATOM 1311 CG GLU A 87 7.230 -8.695 9.653 1.00 8.75 C ATOM 1312 CD GLU A 87 6.732 -7.542 10.504 1.00 9.11 C ATOM 1313 OE1 GLU A 87 6.667 -7.703 11.741 1.00 9.62 O ATOM 1314 OE2 GLU A 87 6.407 -6.479 9.934 1.00 9.05 O ATOM 0 H GLU A 87 6.542 -9.868 6.672 1.00 6.95 H new ATOM 0 HA GLU A 87 7.452 -11.244 9.048 1.00 7.91 H new ATOM 0 HB2 GLU A 87 5.486 -9.035 8.460 1.00 8.02 H new ATOM 0 HB3 GLU A 87 5.464 -9.850 10.011 1.00 8.02 H new ATOM 0 HG2 GLU A 87 7.938 -9.289 10.231 1.00 8.75 H new ATOM 0 HG3 GLU A 87 7.772 -8.300 8.794 1.00 8.75 H new ATOM 1321 N ALA A 88 4.679 -11.975 7.497 1.00 7.00 N ATOM 1322 CA ALA A 88 3.563 -12.918 7.361 1.00 7.06 C ATOM 1323 C ALA A 88 4.032 -14.274 6.841 1.00 7.01 C ATOM 1324 O ALA A 88 3.651 -15.318 7.360 1.00 7.73 O ATOM 1325 CB ALA A 88 2.511 -12.355 6.436 1.00 6.21 C ATOM 0 H ALA A 88 4.771 -11.335 6.708 1.00 7.00 H new ATOM 0 HA ALA A 88 3.135 -13.064 8.353 1.00 7.06 H new ATOM 0 HB1 ALA A 88 1.689 -13.065 6.344 1.00 6.21 H new ATOM 0 HB2 ALA A 88 2.135 -11.416 6.841 1.00 6.21 H new ATOM 0 HB3 ALA A 88 2.948 -12.177 5.453 1.00 6.21 H new ATOM 1331 N PHE A 89 4.806 -14.247 5.759 1.00 6.21 N ATOM 1332 CA PHE A 89 5.401 -15.451 5.169 1.00 6.21 C ATOM 1333 C PHE A 89 6.189 -16.296 6.185 1.00 7.49 C ATOM 1334 O PHE A 89 6.454 -17.473 5.943 1.00 7.70 O ATOM 1335 CB PHE A 89 6.269 -15.034 3.989 1.00 5.56 C ATOM 1336 CG PHE A 89 5.428 -14.629 2.829 1.00 4.24 C ATOM 1337 CD1 PHE A 89 5.136 -15.544 1.848 1.00 3.84 C ATOM 1338 CD2 PHE A 89 4.875 -13.354 2.746 1.00 3.79 C ATOM 1339 CE1 PHE A 89 4.331 -15.216 0.815 1.00 2.77 C ATOM 1340 CE2 PHE A 89 4.074 -13.017 1.703 1.00 2.72 C ATOM 1341 CZ PHE A 89 3.799 -13.960 0.727 1.00 1.93 C ATOM 0 H PHE A 89 5.041 -13.388 5.262 1.00 6.21 H new ATOM 0 HA PHE A 89 4.595 -16.100 4.826 1.00 6.21 H new ATOM 0 HB2 PHE A 89 6.915 -14.206 4.282 1.00 5.56 H new ATOM 0 HB3 PHE A 89 6.920 -15.860 3.701 1.00 5.56 H new ATOM 0 HD1 PHE A 89 5.555 -16.538 1.903 1.00 3.84 H new ATOM 0 HD2 PHE A 89 5.085 -12.628 3.517 1.00 3.79 H new ATOM 0 HE1 PHE A 89 4.106 -15.949 0.055 1.00 2.77 H new ATOM 0 HE2 PHE A 89 3.656 -12.024 1.635 1.00 2.72 H new ATOM 0 HZ PHE A 89 3.162 -13.702 -0.106 1.00 1.93 H new ATOM 1351 N ARG A 90 6.555 -15.687 7.320 1.00 8.36 N ATOM 1352 CA ARG A 90 7.263 -16.393 8.390 1.00 9.63 C ATOM 1353 C ARG A 90 6.278 -17.218 9.237 1.00 10.20 C ATOM 1354 O ARG A 90 6.696 -18.043 10.056 1.00 11.20 O ATOM 1355 CB ARG A 90 8.022 -15.405 9.280 1.00 10.38 C ATOM 1356 CG ARG A 90 9.307 -14.881 8.657 1.00 10.73 C ATOM 1357 CD ARG A 90 10.058 -13.967 9.612 1.00 11.51 C ATOM 1358 NE ARG A 90 11.313 -13.476 9.031 1.00 12.01 N ATOM 1359 CZ ARG A 90 12.324 -12.945 9.734 1.00 12.77 C ATOM 1360 NH1 ARG A 90 12.253 -12.822 11.058 1.00 13.10 N ATOM 1361 NH2 ARG A 90 13.415 -12.534 9.102 1.00 13.29 N ATOM 0 H ARG A 90 6.371 -14.704 7.519 1.00 8.36 H new ATOM 0 HA ARG A 90 7.983 -17.071 7.930 1.00 9.63 H new ATOM 0 HB2 ARG A 90 7.370 -14.562 9.509 1.00 10.38 H new ATOM 0 HB3 ARG A 90 8.260 -15.891 10.226 1.00 10.38 H new ATOM 0 HG2 ARG A 90 9.945 -15.719 8.377 1.00 10.73 H new ATOM 0 HG3 ARG A 90 9.073 -14.339 7.741 1.00 10.73 H new ATOM 0 HD2 ARG A 90 9.425 -13.120 9.876 1.00 11.51 H new ATOM 0 HD3 ARG A 90 10.272 -14.505 10.536 1.00 11.51 H new ATOM 0 HE ARG A 90 11.424 -13.544 8.019 1.00 12.01 H new ATOM 0 HH11 ARG A 90 11.419 -13.134 11.555 1.00 13.10 H new ATOM 0 HH12 ARG A 90 13.033 -12.415 11.575 1.00 13.10 H new ATOM 0 HH21 ARG A 90 13.481 -12.623 8.088 1.00 13.29 H new ATOM 0 HH22 ARG A 90 14.188 -12.129 9.630 1.00 13.29 H new ATOM 1375 N VAL A 91 4.967 -16.985 9.024 1.00 9.66 N ATOM 1376 CA VAL A 91 3.918 -17.678 9.728 1.00 10.29 C ATOM 1377 C VAL A 91 3.351 -18.815 8.895 1.00 9.81 C ATOM 1378 O VAL A 91 3.166 -19.932 9.388 1.00 10.52 O ATOM 1379 CB VAL A 91 2.738 -16.754 10.090 1.00 10.33 C ATOM 1380 CG1 VAL A 91 2.243 -17.015 11.506 1.00 11.64 C ATOM 1381 CG2 VAL A 91 3.047 -15.280 9.886 1.00 9.85 C ATOM 0 H VAL A 91 4.625 -16.301 8.349 1.00 9.66 H new ATOM 0 HA VAL A 91 4.384 -18.055 10.639 1.00 10.29 H new ATOM 0 HB VAL A 91 1.938 -17.002 9.392 1.00 10.33 H new ATOM 0 HG11 VAL A 91 1.411 -16.347 11.729 1.00 11.64 H new ATOM 0 HG12 VAL A 91 1.911 -18.050 11.590 1.00 11.64 H new ATOM 0 HG13 VAL A 91 3.053 -16.835 12.213 1.00 11.64 H new ATOM 0 HG21 VAL A 91 2.176 -14.684 10.159 1.00 9.85 H new ATOM 0 HG22 VAL A 91 3.892 -14.995 10.513 1.00 9.85 H new ATOM 0 HG23 VAL A 91 3.295 -15.102 8.840 1.00 9.85 H new ATOM 1391 N PHE A 92 3.081 -18.508 7.628 1.00 8.63 N ATOM 1392 CA PHE A 92 2.481 -19.474 6.707 1.00 8.08 C ATOM 1393 C PHE A 92 3.513 -20.216 5.865 1.00 7.58 C ATOM 1394 O PHE A 92 3.298 -21.377 5.504 1.00 7.57 O ATOM 1395 CB PHE A 92 1.553 -18.749 5.731 1.00 7.14 C ATOM 1396 CG PHE A 92 0.612 -17.744 6.336 1.00 7.60 C ATOM 1397 CD1 PHE A 92 0.983 -16.412 6.487 1.00 7.95 C ATOM 1398 CD2 PHE A 92 -0.668 -18.123 6.695 1.00 7.88 C ATOM 1399 CE1 PHE A 92 0.094 -15.490 6.984 1.00 8.45 C ATOM 1400 CE2 PHE A 92 -1.558 -17.205 7.205 1.00 8.39 C ATOM 1401 CZ PHE A 92 -1.179 -15.885 7.348 1.00 8.62 C ATOM 0 H PHE A 92 3.269 -17.595 7.214 1.00 8.63 H new ATOM 0 HA PHE A 92 1.948 -20.193 7.330 1.00 8.08 H new ATOM 0 HB2 PHE A 92 2.167 -18.240 4.988 1.00 7.14 H new ATOM 0 HB3 PHE A 92 0.963 -19.496 5.200 1.00 7.14 H new ATOM 0 HD1 PHE A 92 1.979 -16.100 6.211 1.00 7.95 H new ATOM 0 HD2 PHE A 92 -0.973 -19.152 6.574 1.00 7.88 H new ATOM 0 HE1 PHE A 92 0.390 -14.457 7.090 1.00 8.45 H new ATOM 0 HE2 PHE A 92 -2.551 -17.517 7.493 1.00 8.39 H new ATOM 0 HZ PHE A 92 -1.877 -15.162 7.744 1.00 8.62 H new ATOM 1411 N ALA A 93 4.623 -19.549 5.559 1.00 7.32 N ATOM 1412 CA ALA A 93 5.683 -20.153 4.770 1.00 7.11 C ATOM 1413 C ALA A 93 6.847 -20.578 5.669 1.00 8.33 C ATOM 1414 O ALA A 93 7.897 -19.923 5.717 1.00 8.83 O ATOM 1415 CB ALA A 93 6.113 -19.219 3.644 1.00 6.22 C ATOM 0 H ALA A 93 4.808 -18.588 5.848 1.00 7.32 H new ATOM 0 HA ALA A 93 5.305 -21.059 4.297 1.00 7.11 H new ATOM 0 HB1 ALA A 93 6.908 -19.689 3.065 1.00 6.22 H new ATOM 0 HB2 ALA A 93 5.262 -19.016 2.994 1.00 6.22 H new ATOM 0 HB3 ALA A 93 6.478 -18.283 4.067 1.00 6.22 H new ATOM 1421 N LYS A 94 6.632 -21.678 6.403 1.00 8.92 N ATOM 1422 CA LYS A 94 7.623 -22.238 7.326 1.00 10.13 C ATOM 1423 C LYS A 94 8.935 -22.588 6.643 1.00 10.64 C ATOM 1424 O LYS A 94 8.954 -23.213 5.580 1.00 11.32 O ATOM 1425 CB LYS A 94 7.035 -23.470 8.018 1.00 10.90 C ATOM 1426 CG LYS A 94 7.134 -23.439 9.546 1.00 11.36 C ATOM 1427 CD LYS A 94 5.948 -22.717 10.199 1.00 11.16 C ATOM 1428 CE LYS A 94 6.200 -21.222 10.372 1.00 10.61 C ATOM 1429 NZ LYS A 94 5.157 -20.578 11.217 1.00 11.01 N ATOM 0 H LYS A 94 5.760 -22.206 6.371 1.00 8.92 H new ATOM 0 HA LYS A 94 7.855 -21.470 8.064 1.00 10.13 H new ATOM 0 HB2 LYS A 94 5.987 -23.566 7.735 1.00 10.90 H new ATOM 0 HB3 LYS A 94 7.547 -24.359 7.650 1.00 10.90 H new ATOM 0 HG2 LYS A 94 7.186 -24.460 9.924 1.00 11.36 H new ATOM 0 HG3 LYS A 94 8.061 -22.944 9.837 1.00 11.36 H new ATOM 0 HD2 LYS A 94 5.056 -22.864 9.589 1.00 11.16 H new ATOM 0 HD3 LYS A 94 5.746 -23.164 11.173 1.00 11.16 H new ATOM 0 HE2 LYS A 94 7.180 -21.069 10.825 1.00 10.61 H new ATOM 0 HE3 LYS A 94 6.222 -20.742 9.394 1.00 10.61 H new ATOM 0 HZ1 LYS A 94 5.558 -19.740 11.685 1.00 11.01 H new ATOM 0 HZ2 LYS A 94 4.355 -20.291 10.620 1.00 11.01 H new ATOM 0 HZ3 LYS A 94 4.828 -21.253 11.937 1.00 11.01 H new ATOM 1443 N ASP A 95 10.035 -22.162 7.286 1.00 10.41 N ATOM 1444 CA ASP A 95 11.394 -22.413 6.803 1.00 10.95 C ATOM 1445 C ASP A 95 11.781 -23.884 6.975 1.00 11.36 C ATOM 1446 O ASP A 95 12.961 -24.256 6.972 1.00 11.72 O ATOM 1447 CB ASP A 95 12.398 -21.489 7.507 1.00 10.75 C ATOM 1448 CG ASP A 95 12.254 -20.039 7.084 1.00 10.79 C ATOM 1449 OD1 ASP A 95 11.477 -19.306 7.731 1.00 11.08 O ATOM 1450 OD2 ASP A 95 12.918 -19.637 6.106 1.00 10.72 O ATOM 0 H ASP A 95 10.002 -21.633 8.157 1.00 10.41 H new ATOM 0 HA ASP A 95 11.420 -22.191 5.736 1.00 10.95 H new ATOM 0 HB2 ASP A 95 12.260 -21.564 8.586 1.00 10.75 H new ATOM 0 HB3 ASP A 95 13.411 -21.828 7.291 1.00 10.75 H new ATOM 1455 N GLY A 96 10.736 -24.701 7.104 1.00 11.41 N ATOM 1456 CA GLY A 96 10.858 -26.160 7.270 1.00 11.89 C ATOM 1457 C GLY A 96 11.748 -26.842 6.247 1.00 11.67 C ATOM 1458 O GLY A 96 12.354 -27.879 6.534 1.00 11.82 O ATOM 0 H GLY A 96 9.771 -24.372 7.097 1.00 11.41 H new ATOM 0 HA2 GLY A 96 11.248 -26.367 8.267 1.00 11.89 H new ATOM 0 HA3 GLY A 96 9.863 -26.602 7.219 1.00 11.89 H new ATOM 1462 N ASN A 97 11.817 -26.248 5.059 1.00 11.48 N ATOM 1463 CA ASN A 97 12.580 -26.788 3.956 1.00 11.39 C ATOM 1464 C ASN A 97 13.341 -25.698 3.214 1.00 11.24 C ATOM 1465 O ASN A 97 14.395 -25.947 2.621 1.00 11.69 O ATOM 1466 CB ASN A 97 11.610 -27.485 3.020 1.00 10.47 C ATOM 1467 CG ASN A 97 12.194 -28.733 2.385 1.00 10.82 C ATOM 1468 OD1 ASN A 97 12.796 -28.675 1.313 1.00 11.12 O ATOM 1469 ND2 ASN A 97 12.018 -29.871 3.046 1.00 10.95 N ATOM 0 H ASN A 97 11.339 -25.373 4.841 1.00 11.48 H new ATOM 0 HA ASN A 97 13.323 -27.490 4.336 1.00 11.39 H new ATOM 0 HB2 ASN A 97 10.709 -27.752 3.572 1.00 10.47 H new ATOM 0 HB3 ASN A 97 11.309 -26.791 2.235 1.00 10.47 H new ATOM 0 HD21 ASN A 97 12.388 -30.743 2.668 1.00 10.95 H new ATOM 0 HD22 ASN A 97 11.512 -29.873 3.932 1.00 10.95 H new ATOM 1476 N GLY A 98 12.781 -24.498 3.263 1.00 10.71 N ATOM 1477 CA GLY A 98 13.367 -23.342 2.603 1.00 10.57 C ATOM 1478 C GLY A 98 12.565 -22.899 1.393 1.00 9.35 C ATOM 1479 O GLY A 98 13.122 -22.328 0.456 1.00 9.23 O ATOM 0 H GLY A 98 11.912 -24.299 3.759 1.00 10.71 H new ATOM 0 HA2 GLY A 98 13.435 -22.517 3.313 1.00 10.57 H new ATOM 0 HA3 GLY A 98 14.385 -23.581 2.294 1.00 10.57 H new ATOM 1483 N TYR A 99 11.261 -23.194 1.413 1.00 8.53 N ATOM 1484 CA TYR A 99 10.351 -22.829 0.343 1.00 7.35 C ATOM 1485 C TYR A 99 9.133 -22.091 0.885 1.00 6.60 C ATOM 1486 O TYR A 99 8.729 -22.291 2.035 1.00 6.68 O ATOM 1487 CB TYR A 99 9.854 -24.079 -0.406 1.00 7.03 C ATOM 1488 CG TYR A 99 10.775 -24.610 -1.483 1.00 7.42 C ATOM 1489 CD1 TYR A 99 11.921 -25.325 -1.148 1.00 7.29 C ATOM 1490 CD2 TYR A 99 10.488 -24.417 -2.838 1.00 8.16 C ATOM 1491 CE1 TYR A 99 12.759 -25.827 -2.125 1.00 7.85 C ATOM 1492 CE2 TYR A 99 11.326 -24.919 -3.817 1.00 8.71 C ATOM 1493 CZ TYR A 99 12.458 -25.621 -3.456 1.00 8.53 C ATOM 1494 OH TYR A 99 13.292 -26.121 -4.429 1.00 9.21 O ATOM 0 H TYR A 99 10.813 -23.696 2.180 1.00 8.53 H new ATOM 0 HA TYR A 99 10.905 -22.181 -0.336 1.00 7.35 H new ATOM 0 HB2 TYR A 99 9.682 -24.872 0.322 1.00 7.03 H new ATOM 0 HB3 TYR A 99 8.890 -23.849 -0.860 1.00 7.03 H new ATOM 0 HD1 TYR A 99 12.159 -25.490 -0.108 1.00 7.29 H new ATOM 0 HD2 TYR A 99 9.602 -23.870 -3.123 1.00 8.16 H new ATOM 0 HE1 TYR A 99 13.646 -26.378 -1.848 1.00 7.85 H new ATOM 0 HE2 TYR A 99 11.095 -24.762 -4.860 1.00 8.71 H new ATOM 0 HH TYR A 99 12.938 -25.891 -5.313 1.00 9.21 H new ATOM 1504 N ILE A 100 8.563 -21.241 0.037 1.00 6.19 N ATOM 1505 CA ILE A 100 7.347 -20.504 0.347 1.00 5.73 C ATOM 1506 C ILE A 100 6.222 -21.179 -0.459 1.00 4.64 C ATOM 1507 O ILE A 100 6.001 -20.862 -1.625 1.00 4.17 O ATOM 1508 CB ILE A 100 7.535 -18.969 0.026 1.00 5.84 C ATOM 1509 CG1 ILE A 100 8.182 -18.196 1.200 1.00 5.96 C ATOM 1510 CG2 ILE A 100 6.224 -18.278 -0.326 1.00 5.70 C ATOM 1511 CD1 ILE A 100 9.415 -18.834 1.832 1.00 6.65 C ATOM 0 H ILE A 100 8.936 -21.044 -0.892 1.00 6.19 H new ATOM 0 HA ILE A 100 7.094 -20.535 1.407 1.00 5.73 H new ATOM 0 HB ILE A 100 8.199 -18.947 -0.838 1.00 5.84 H new ATOM 0 HG12 ILE A 100 8.455 -17.202 0.846 1.00 5.96 H new ATOM 0 HG13 ILE A 100 7.430 -18.062 1.977 1.00 5.96 H new ATOM 0 HG21 ILE A 100 6.413 -17.225 -0.537 1.00 5.70 H new ATOM 0 HG22 ILE A 100 5.788 -18.752 -1.205 1.00 5.70 H new ATOM 0 HG23 ILE A 100 5.532 -18.361 0.512 1.00 5.70 H new ATOM 0 HD11 ILE A 100 9.778 -18.201 2.642 1.00 6.65 H new ATOM 0 HD12 ILE A 100 9.154 -19.816 2.228 1.00 6.65 H new ATOM 0 HD13 ILE A 100 10.195 -18.942 1.079 1.00 6.65 H new ATOM 1523 N SER A 101 5.548 -22.151 0.182 1.00 4.56 N ATOM 1524 CA SER A 101 4.492 -22.966 -0.447 1.00 3.87 C ATOM 1525 C SER A 101 3.372 -22.158 -1.097 1.00 3.18 C ATOM 1526 O SER A 101 3.162 -20.983 -0.788 1.00 3.33 O ATOM 1527 CB SER A 101 3.901 -23.945 0.572 1.00 4.59 C ATOM 1528 OG SER A 101 4.921 -24.633 1.276 1.00 5.48 O ATOM 0 H SER A 101 5.722 -22.395 1.157 1.00 4.56 H new ATOM 0 HA SER A 101 4.983 -23.505 -1.257 1.00 3.87 H new ATOM 0 HB2 SER A 101 3.271 -23.403 1.277 1.00 4.59 H new ATOM 0 HB3 SER A 101 3.261 -24.664 0.060 1.00 4.59 H new ATOM 0 HG SER A 101 4.556 -24.995 2.110 1.00 5.48 H new ATOM 1534 N ALA A 102 2.672 -22.834 -2.015 1.00 2.74 N ATOM 1535 CA ALA A 102 1.562 -22.244 -2.773 1.00 2.63 C ATOM 1536 C ALA A 102 0.255 -22.152 -1.977 1.00 3.39 C ATOM 1537 O ALA A 102 -0.440 -21.136 -2.044 1.00 3.61 O ATOM 1538 CB ALA A 102 1.325 -23.043 -4.041 1.00 3.06 C ATOM 0 H ALA A 102 2.859 -23.808 -2.254 1.00 2.74 H new ATOM 0 HA ALA A 102 1.859 -21.222 -3.008 1.00 2.63 H new ATOM 0 HB1 ALA A 102 0.500 -22.602 -4.600 1.00 3.06 H new ATOM 0 HB2 ALA A 102 2.227 -23.030 -4.653 1.00 3.06 H new ATOM 0 HB3 ALA A 102 1.077 -24.072 -3.782 1.00 3.06 H new ATOM 1544 N ALA A 103 -0.064 -23.214 -1.223 1.00 4.09 N ATOM 1545 CA ALA A 103 -1.306 -23.289 -0.432 1.00 5.20 C ATOM 1546 C ALA A 103 -1.422 -22.198 0.643 1.00 5.47 C ATOM 1547 O ALA A 103 -2.532 -21.880 1.081 1.00 6.33 O ATOM 1548 CB ALA A 103 -1.423 -24.662 0.212 1.00 5.96 C ATOM 0 H ALA A 103 0.526 -24.042 -1.143 1.00 4.09 H new ATOM 0 HA ALA A 103 -2.126 -23.121 -1.130 1.00 5.20 H new ATOM 0 HB1 ALA A 103 -2.342 -24.713 0.796 1.00 5.96 H new ATOM 0 HB2 ALA A 103 -1.443 -25.427 -0.564 1.00 5.96 H new ATOM 0 HB3 ALA A 103 -0.568 -24.831 0.866 1.00 5.96 H new ATOM 1554 N GLU A 104 -0.282 -21.633 1.059 1.00 4.91 N ATOM 1555 CA GLU A 104 -0.266 -20.591 2.095 1.00 5.33 C ATOM 1556 C GLU A 104 -0.474 -19.175 1.536 1.00 4.76 C ATOM 1557 O GLU A 104 -1.219 -18.395 2.124 1.00 5.38 O ATOM 1558 CB GLU A 104 1.022 -20.654 2.936 1.00 5.44 C ATOM 1559 CG GLU A 104 2.330 -20.776 2.152 1.00 6.31 C ATOM 1560 CD GLU A 104 3.099 -19.467 2.082 1.00 6.92 C ATOM 1561 OE1 GLU A 104 3.158 -18.745 3.103 1.00 7.26 O ATOM 1562 OE2 GLU A 104 3.654 -19.170 1.010 1.00 7.37 O ATOM 0 H GLU A 104 0.639 -21.878 0.696 1.00 4.91 H new ATOM 0 HA GLU A 104 -1.119 -20.803 2.740 1.00 5.33 H new ATOM 0 HB2 GLU A 104 1.074 -19.757 3.553 1.00 5.44 H new ATOM 0 HB3 GLU A 104 0.948 -21.504 3.615 1.00 5.44 H new ATOM 0 HG2 GLU A 104 2.957 -21.536 2.617 1.00 6.31 H new ATOM 0 HG3 GLU A 104 2.111 -21.118 1.140 1.00 6.31 H new ATOM 1569 N LEU A 105 0.212 -18.848 0.424 1.00 3.64 N ATOM 1570 CA LEU A 105 0.137 -17.526 -0.248 1.00 3.09 C ATOM 1571 C LEU A 105 -1.231 -16.900 -0.309 1.00 4.03 C ATOM 1572 O LEU A 105 -1.392 -15.722 0.016 1.00 4.13 O ATOM 1573 CB LEU A 105 0.636 -17.644 -1.687 1.00 2.35 C ATOM 1574 CG LEU A 105 1.994 -18.333 -1.865 1.00 1.65 C ATOM 1575 CD1 LEU A 105 2.250 -18.694 -3.312 1.00 2.00 C ATOM 1576 CD2 LEU A 105 3.102 -17.446 -1.345 1.00 1.38 C ATOM 0 H LEU A 105 0.843 -19.499 -0.043 1.00 3.64 H new ATOM 0 HA LEU A 105 0.759 -16.880 0.372 1.00 3.09 H new ATOM 0 HB2 LEU A 105 -0.107 -18.192 -2.266 1.00 2.35 H new ATOM 0 HB3 LEU A 105 0.698 -16.643 -2.114 1.00 2.35 H new ATOM 0 HG LEU A 105 1.975 -19.258 -1.289 1.00 1.65 H new ATOM 0 HD11 LEU A 105 3.222 -19.180 -3.399 1.00 2.00 H new ATOM 0 HD12 LEU A 105 1.472 -19.373 -3.661 1.00 2.00 H new ATOM 0 HD13 LEU A 105 2.241 -17.789 -3.920 1.00 2.00 H new ATOM 0 HD21 LEU A 105 4.061 -17.947 -1.477 1.00 1.38 H new ATOM 0 HD22 LEU A 105 3.104 -16.506 -1.896 1.00 1.38 H new ATOM 0 HD23 LEU A 105 2.940 -17.245 -0.286 1.00 1.38 H new ATOM 1588 N ARG A 106 -2.202 -17.679 -0.743 1.00 4.83 N ATOM 1589 CA ARG A 106 -3.566 -17.180 -0.882 1.00 5.95 C ATOM 1590 C ARG A 106 -4.121 -16.785 0.471 1.00 6.65 C ATOM 1591 O ARG A 106 -5.017 -15.954 0.577 1.00 7.39 O ATOM 1592 CB ARG A 106 -4.505 -18.195 -1.558 1.00 6.81 C ATOM 1593 CG ARG A 106 -3.989 -18.797 -2.870 1.00 6.46 C ATOM 1594 CD ARG A 106 -3.234 -20.078 -2.611 1.00 5.99 C ATOM 1595 NE ARG A 106 -4.125 -21.241 -2.528 1.00 6.40 N ATOM 1596 CZ ARG A 106 -3.776 -22.495 -2.851 1.00 6.89 C ATOM 1597 NH1 ARG A 106 -2.550 -22.779 -3.287 1.00 7.08 N ATOM 1598 NH2 ARG A 106 -4.666 -23.471 -2.736 1.00 7.37 N ATOM 0 H ARG A 106 -2.078 -18.657 -1.006 1.00 4.83 H new ATOM 0 HA ARG A 106 -3.517 -16.305 -1.531 1.00 5.95 H new ATOM 0 HB2 ARG A 106 -4.699 -19.007 -0.857 1.00 6.81 H new ATOM 0 HB3 ARG A 106 -5.460 -17.707 -1.753 1.00 6.81 H new ATOM 0 HG2 ARG A 106 -4.826 -18.992 -3.540 1.00 6.46 H new ATOM 0 HG3 ARG A 106 -3.338 -18.081 -3.373 1.00 6.46 H new ATOM 0 HD2 ARG A 106 -2.507 -20.236 -3.407 1.00 5.99 H new ATOM 0 HD3 ARG A 106 -2.673 -19.985 -1.681 1.00 5.99 H new ATOM 0 HE ARG A 106 -5.078 -21.084 -2.201 1.00 6.40 H new ATOM 0 HH11 ARG A 106 -1.857 -22.036 -3.380 1.00 7.08 H new ATOM 0 HH12 ARG A 106 -2.304 -23.739 -3.528 1.00 7.08 H new ATOM 0 HH21 ARG A 106 -5.608 -23.265 -2.404 1.00 7.37 H new ATOM 0 HH22 ARG A 106 -4.408 -24.427 -2.980 1.00 7.37 H new ATOM 1612 N HIS A 107 -3.581 -17.430 1.488 1.00 6.60 N ATOM 1613 CA HIS A 107 -3.908 -17.144 2.862 1.00 7.43 C ATOM 1614 C HIS A 107 -2.980 -16.048 3.402 1.00 6.90 C ATOM 1615 O HIS A 107 -3.303 -15.418 4.408 1.00 7.61 O ATOM 1616 CB HIS A 107 -3.802 -18.405 3.727 1.00 8.00 C ATOM 1617 CG HIS A 107 -4.866 -19.423 3.444 1.00 8.87 C ATOM 1618 ND1 HIS A 107 -5.982 -19.586 4.238 1.00 9.79 N ATOM 1619 CD2 HIS A 107 -4.980 -20.333 2.448 1.00 9.07 C ATOM 1620 CE1 HIS A 107 -6.735 -20.553 3.744 1.00 10.41 C ATOM 1621 NE2 HIS A 107 -6.149 -21.021 2.658 1.00 10.03 N ATOM 0 H HIS A 107 -2.895 -18.176 1.376 1.00 6.60 H new ATOM 0 HA HIS A 107 -4.939 -16.793 2.905 1.00 7.43 H new ATOM 0 HB2 HIS A 107 -2.825 -18.861 3.570 1.00 8.00 H new ATOM 0 HB3 HIS A 107 -3.855 -18.119 4.778 1.00 8.00 H new ATOM 0 HD2 HIS A 107 -4.281 -20.489 1.639 1.00 9.07 H new ATOM 0 HE1 HIS A 107 -7.670 -20.901 4.158 1.00 10.41 H new ATOM 0 HE2 HIS A 107 -6.507 -21.773 2.069 1.00 10.03 H new ATOM 1630 N VAL A 108 -1.815 -15.827 2.729 1.00 5.69 N ATOM 1631 CA VAL A 108 -0.862 -14.801 3.149 1.00 5.20 C ATOM 1632 C VAL A 108 -1.211 -13.442 2.573 1.00 4.84 C ATOM 1633 O VAL A 108 -1.479 -12.505 3.323 1.00 5.36 O ATOM 1634 CB VAL A 108 0.605 -15.163 2.759 1.00 4.27 C ATOM 1635 CG1 VAL A 108 1.585 -14.140 3.308 1.00 4.16 C ATOM 1636 CG2 VAL A 108 0.984 -16.565 3.196 1.00 4.80 C ATOM 0 H VAL A 108 -1.530 -16.350 1.901 1.00 5.69 H new ATOM 0 HA VAL A 108 -0.931 -14.756 4.236 1.00 5.20 H new ATOM 0 HB VAL A 108 0.660 -15.140 1.671 1.00 4.27 H new ATOM 0 HG11 VAL A 108 2.599 -14.417 3.021 1.00 4.16 H new ATOM 0 HG12 VAL A 108 1.349 -13.156 2.902 1.00 4.16 H new ATOM 0 HG13 VAL A 108 1.510 -14.112 4.395 1.00 4.16 H new ATOM 0 HG21 VAL A 108 2.013 -16.772 2.903 1.00 4.80 H new ATOM 0 HG22 VAL A 108 0.892 -16.646 4.279 1.00 4.80 H new ATOM 0 HG23 VAL A 108 0.320 -17.286 2.720 1.00 4.80 H new ATOM 1646 N MET A 109 -1.153 -13.341 1.247 1.00 4.11 N ATOM 1647 CA MET A 109 -1.517 -12.108 0.533 1.00 4.08 C ATOM 1648 C MET A 109 -2.874 -11.612 0.990 1.00 5.33 C ATOM 1649 O MET A 109 -3.087 -10.402 1.119 1.00 5.53 O ATOM 1650 CB MET A 109 -1.446 -12.304 -0.967 1.00 3.81 C ATOM 1651 CG MET A 109 -0.024 -12.112 -1.473 1.00 2.70 C ATOM 1652 SD MET A 109 0.112 -12.108 -3.269 1.00 3.27 S ATOM 1653 CE MET A 109 -0.074 -13.848 -3.624 1.00 3.46 C ATOM 0 H MET A 109 -0.856 -14.102 0.636 1.00 4.11 H new ATOM 0 HA MET A 109 -0.790 -11.334 0.779 1.00 4.08 H new ATOM 0 HB2 MET A 109 -1.796 -13.304 -1.224 1.00 3.81 H new ATOM 0 HB3 MET A 109 -2.111 -11.596 -1.462 1.00 3.81 H new ATOM 0 HG2 MET A 109 0.366 -11.170 -1.086 1.00 2.70 H new ATOM 0 HG3 MET A 109 0.605 -12.906 -1.072 1.00 2.70 H new ATOM 0 HE1 MET A 109 -0.689 -13.974 -4.515 1.00 3.46 H new ATOM 0 HE2 MET A 109 0.907 -14.291 -3.795 1.00 3.46 H new ATOM 0 HE3 MET A 109 -0.553 -14.343 -2.779 1.00 3.46 H new ATOM 1663 N THR A 110 -3.791 -12.556 1.231 1.00 6.20 N ATOM 1664 CA THR A 110 -5.090 -12.212 1.808 1.00 7.45 C ATOM 1665 C THR A 110 -4.916 -11.752 3.282 1.00 7.80 C ATOM 1666 O THR A 110 -5.697 -10.931 3.769 1.00 8.54 O ATOM 1667 CB THR A 110 -6.047 -13.418 1.753 1.00 8.32 C ATOM 1668 OG1 THR A 110 -6.166 -13.866 0.398 1.00 8.16 O ATOM 1669 CG2 THR A 110 -7.443 -13.085 2.284 1.00 9.65 C ATOM 0 H THR A 110 -3.659 -13.549 1.038 1.00 6.20 H new ATOM 0 HA THR A 110 -5.518 -11.398 1.223 1.00 7.45 H new ATOM 0 HB THR A 110 -5.624 -14.195 2.390 1.00 8.32 H new ATOM 0 HG1 THR A 110 -5.528 -14.592 0.236 1.00 8.16 H new ATOM 0 HG21 THR A 110 -8.076 -13.970 2.222 1.00 9.65 H new ATOM 0 HG22 THR A 110 -7.370 -12.763 3.323 1.00 9.65 H new ATOM 0 HG23 THR A 110 -7.878 -12.285 1.686 1.00 9.65 H new ATOM 1677 N ASN A 111 -3.883 -12.293 3.977 1.00 7.42 N ATOM 1678 CA ASN A 111 -3.619 -11.948 5.390 1.00 8.00 C ATOM 1679 C ASN A 111 -2.928 -10.579 5.619 1.00 7.57 C ATOM 1680 O ASN A 111 -3.426 -9.793 6.431 1.00 8.26 O ATOM 1681 CB ASN A 111 -2.791 -13.050 6.059 1.00 7.98 C ATOM 1682 CG ASN A 111 -3.087 -13.183 7.543 1.00 9.16 C ATOM 1683 OD1 ASN A 111 -2.451 -12.537 8.376 1.00 9.84 O ATOM 1684 ND2 ASN A 111 -4.058 -14.024 7.880 1.00 9.58 N ATOM 0 H ASN A 111 -3.226 -12.965 3.581 1.00 7.42 H new ATOM 0 HA ASN A 111 -4.606 -11.863 5.844 1.00 8.00 H new ATOM 0 HB2 ASN A 111 -2.992 -14.001 5.565 1.00 7.98 H new ATOM 0 HB3 ASN A 111 -1.731 -12.837 5.921 1.00 7.98 H new ATOM 0 HD21 ASN A 111 -4.302 -14.154 8.862 1.00 9.58 H new ATOM 0 HD22 ASN A 111 -4.560 -14.540 7.157 1.00 9.58 H new ATOM 1691 N LEU A 112 -1.790 -10.286 4.928 1.00 6.48 N ATOM 1692 CA LEU A 112 -1.045 -9.010 5.147 1.00 6.02 C ATOM 1693 C LEU A 112 -1.926 -7.762 5.037 1.00 6.50 C ATOM 1694 O LEU A 112 -2.067 -7.015 6.011 1.00 6.87 O ATOM 1695 CB LEU A 112 0.173 -8.844 4.226 1.00 4.81 C ATOM 1696 CG LEU A 112 -0.013 -9.237 2.777 1.00 4.44 C ATOM 1697 CD1 LEU A 112 0.572 -8.181 1.856 1.00 4.55 C ATOM 1698 CD2 LEU A 112 0.641 -10.572 2.568 1.00 4.77 C ATOM 0 H LEU A 112 -1.375 -10.901 4.229 1.00 6.48 H new ATOM 0 HA LEU A 112 -0.692 -9.096 6.175 1.00 6.02 H new ATOM 0 HB2 LEU A 112 0.484 -7.800 4.258 1.00 4.81 H new ATOM 0 HB3 LEU A 112 0.993 -9.434 4.636 1.00 4.81 H new ATOM 0 HG LEU A 112 -1.074 -9.311 2.539 1.00 4.44 H new ATOM 0 HD11 LEU A 112 0.428 -8.483 0.819 1.00 4.55 H new ATOM 0 HD12 LEU A 112 0.071 -7.229 2.030 1.00 4.55 H new ATOM 0 HD13 LEU A 112 1.638 -8.072 2.058 1.00 4.55 H new ATOM 0 HD21 LEU A 112 0.520 -10.878 1.529 1.00 4.77 H new ATOM 0 HD22 LEU A 112 1.703 -10.498 2.803 1.00 4.77 H new ATOM 0 HD23 LEU A 112 0.176 -11.311 3.220 1.00 4.77 H new ATOM 1710 N GLY A 113 -2.510 -7.545 3.855 1.00 6.67 N ATOM 1711 CA GLY A 113 -3.375 -6.384 3.661 1.00 7.40 C ATOM 1712 C GLY A 113 -3.598 -6.005 2.209 1.00 8.34 C ATOM 1713 O GLY A 113 -3.737 -4.820 1.892 1.00 8.64 O ATOM 0 H GLY A 113 -2.402 -8.144 3.037 1.00 6.67 H new ATOM 0 HA2 GLY A 113 -4.341 -6.584 4.124 1.00 7.40 H new ATOM 0 HA3 GLY A 113 -2.941 -5.532 4.184 1.00 7.40 H new ATOM 1717 N GLU A 114 -3.625 -7.008 1.331 1.00 8.94 N ATOM 1718 CA GLU A 114 -3.863 -6.797 -0.101 1.00 10.00 C ATOM 1719 C GLU A 114 -5.328 -6.962 -0.440 1.00 10.47 C ATOM 1720 O GLU A 114 -5.792 -6.502 -1.485 1.00 11.33 O ATOM 1721 CB GLU A 114 -3.052 -7.792 -0.909 1.00 10.43 C ATOM 1722 CG GLU A 114 -1.572 -7.456 -0.967 1.00 10.39 C ATOM 1723 CD GLU A 114 -0.748 -8.508 -1.684 1.00 11.02 C ATOM 1724 OE1 GLU A 114 0.115 -9.129 -1.029 1.00 11.20 O ATOM 1725 OE2 GLU A 114 -0.960 -8.707 -2.899 1.00 11.47 O ATOM 0 H GLU A 114 -3.484 -7.985 1.588 1.00 8.94 H new ATOM 0 HA GLU A 114 -3.559 -5.779 -0.347 1.00 10.00 H new ATOM 0 HB2 GLU A 114 -3.175 -8.785 -0.478 1.00 10.43 H new ATOM 0 HB3 GLU A 114 -3.448 -7.834 -1.924 1.00 10.43 H new ATOM 0 HG2 GLU A 114 -1.443 -6.498 -1.470 1.00 10.39 H new ATOM 0 HG3 GLU A 114 -1.193 -7.337 0.048 1.00 10.39 H new ATOM 1732 N LYS A 115 -6.028 -7.642 0.477 1.00 10.04 N ATOM 1733 CA LYS A 115 -7.476 -7.967 0.428 1.00 10.61 C ATOM 1734 C LYS A 115 -7.912 -8.677 -0.859 1.00 10.14 C ATOM 1735 O LYS A 115 -9.047 -9.157 -0.958 1.00 10.70 O ATOM 1736 CB LYS A 115 -8.398 -6.752 0.673 1.00 11.03 C ATOM 1737 CG LYS A 115 -8.244 -5.647 -0.364 1.00 10.36 C ATOM 1738 CD LYS A 115 -7.965 -4.292 0.284 1.00 10.71 C ATOM 1739 CE LYS A 115 -6.597 -4.260 0.962 1.00 10.61 C ATOM 1740 NZ LYS A 115 -6.522 -3.217 2.022 1.00 10.83 N ATOM 0 H LYS A 115 -5.584 -8.003 1.321 1.00 10.04 H new ATOM 0 HA LYS A 115 -7.596 -8.662 1.259 1.00 10.61 H new ATOM 0 HB2 LYS A 115 -9.434 -7.089 0.680 1.00 11.03 H new ATOM 0 HB3 LYS A 115 -8.189 -6.342 1.661 1.00 11.03 H new ATOM 0 HG2 LYS A 115 -7.430 -5.898 -1.044 1.00 10.36 H new ATOM 0 HG3 LYS A 115 -9.152 -5.583 -0.963 1.00 10.36 H new ATOM 0 HD2 LYS A 115 -8.014 -3.510 -0.473 1.00 10.71 H new ATOM 0 HD3 LYS A 115 -8.740 -4.074 1.018 1.00 10.71 H new ATOM 0 HE2 LYS A 115 -6.386 -5.236 1.399 1.00 10.61 H new ATOM 0 HE3 LYS A 115 -5.826 -4.072 0.214 1.00 10.61 H new ATOM 0 HZ1 LYS A 115 -5.577 -3.230 2.456 1.00 10.83 H new ATOM 0 HZ2 LYS A 115 -6.697 -2.282 1.602 1.00 10.83 H new ATOM 0 HZ3 LYS A 115 -7.240 -3.409 2.750 1.00 10.83 H new ATOM 1754 N LEU A 116 -7.000 -8.749 -1.827 1.00 9.19 N ATOM 1755 CA LEU A 116 -7.276 -9.345 -3.119 1.00 8.69 C ATOM 1756 C LEU A 116 -7.627 -10.842 -3.004 1.00 9.07 C ATOM 1757 O LEU A 116 -7.612 -11.400 -1.901 1.00 9.05 O ATOM 1758 CB LEU A 116 -6.082 -9.113 -4.048 1.00 7.40 C ATOM 1759 CG LEU A 116 -6.094 -7.768 -4.786 1.00 6.84 C ATOM 1760 CD1 LEU A 116 -4.681 -7.235 -4.967 1.00 6.44 C ATOM 1761 CD2 LEU A 116 -6.784 -7.909 -6.137 1.00 6.43 C ATOM 0 H LEU A 116 -6.049 -8.393 -1.730 1.00 9.19 H new ATOM 0 HA LEU A 116 -8.156 -8.862 -3.544 1.00 8.69 H new ATOM 0 HB2 LEU A 116 -5.165 -9.182 -3.463 1.00 7.40 H new ATOM 0 HB3 LEU A 116 -6.051 -9.916 -4.785 1.00 7.40 H new ATOM 0 HG LEU A 116 -6.652 -7.054 -4.181 1.00 6.84 H new ATOM 0 HD11 LEU A 116 -4.717 -6.281 -5.493 1.00 6.44 H new ATOM 0 HD12 LEU A 116 -4.217 -7.094 -3.991 1.00 6.44 H new ATOM 0 HD13 LEU A 116 -4.095 -7.947 -5.548 1.00 6.44 H new ATOM 0 HD21 LEU A 116 -6.784 -6.946 -6.648 1.00 6.43 H new ATOM 0 HD22 LEU A 116 -6.251 -8.641 -6.743 1.00 6.43 H new ATOM 0 HD23 LEU A 116 -7.812 -8.241 -5.988 1.00 6.43 H new ATOM 1773 N THR A 117 -7.929 -11.485 -4.138 1.00 9.56 N ATOM 1774 CA THR A 117 -8.323 -12.878 -4.144 1.00 10.01 C ATOM 1775 C THR A 117 -7.233 -13.828 -4.549 1.00 9.24 C ATOM 1776 O THR A 117 -6.075 -13.464 -4.749 1.00 8.29 O ATOM 1777 CB THR A 117 -9.515 -13.150 -5.078 1.00 11.26 C ATOM 1778 OG1 THR A 117 -9.363 -12.438 -6.314 1.00 11.46 O ATOM 1779 CG2 THR A 117 -10.789 -12.749 -4.398 1.00 12.18 C ATOM 0 H THR A 117 -7.905 -11.051 -5.061 1.00 9.56 H new ATOM 0 HA THR A 117 -8.589 -13.060 -3.103 1.00 10.01 H new ATOM 0 HB THR A 117 -9.550 -14.216 -5.304 1.00 11.26 H new ATOM 0 HG1 THR A 117 -10.129 -12.625 -6.895 1.00 11.46 H new ATOM 0 HG21 THR A 117 -11.632 -12.942 -5.061 1.00 12.18 H new ATOM 0 HG22 THR A 117 -10.909 -13.326 -3.481 1.00 12.18 H new ATOM 0 HG23 THR A 117 -10.754 -11.687 -4.157 1.00 12.18 H new ATOM 1787 N ASP A 118 -7.669 -15.075 -4.632 1.00 9.74 N ATOM 1788 CA ASP A 118 -6.868 -16.206 -5.050 1.00 9.28 C ATOM 1789 C ASP A 118 -6.417 -16.065 -6.488 1.00 9.42 C ATOM 1790 O ASP A 118 -5.385 -16.609 -6.879 1.00 8.80 O ATOM 1791 CB ASP A 118 -7.730 -17.439 -4.898 1.00 10.08 C ATOM 1792 CG ASP A 118 -7.677 -18.026 -3.502 1.00 9.81 C ATOM 1793 OD1 ASP A 118 -7.014 -19.069 -3.321 1.00 9.86 O ATOM 1794 OD2 ASP A 118 -8.297 -17.443 -2.588 1.00 9.76 O ATOM 0 H ASP A 118 -8.628 -15.333 -4.400 1.00 9.74 H new ATOM 0 HA ASP A 118 -5.968 -16.270 -4.439 1.00 9.28 H new ATOM 0 HB2 ASP A 118 -8.762 -17.187 -5.142 1.00 10.08 H new ATOM 0 HB3 ASP A 118 -7.407 -18.193 -5.616 1.00 10.08 H new ATOM 1799 N GLU A 119 -7.210 -15.325 -7.263 1.00 10.37 N ATOM 1800 CA GLU A 119 -6.895 -15.052 -8.661 1.00 10.83 C ATOM 1801 C GLU A 119 -5.647 -14.190 -8.750 1.00 10.04 C ATOM 1802 O GLU A 119 -4.964 -14.169 -9.776 1.00 10.27 O ATOM 1803 CB GLU A 119 -8.072 -14.392 -9.389 1.00 12.10 C ATOM 1804 CG GLU A 119 -9.238 -15.333 -9.653 1.00 13.08 C ATOM 1805 CD GLU A 119 -10.385 -14.651 -10.373 1.00 14.16 C ATOM 1806 OE1 GLU A 119 -10.395 -14.667 -11.622 1.00 14.50 O ATOM 1807 OE2 GLU A 119 -11.274 -14.102 -9.689 1.00 14.78 O ATOM 0 H GLU A 119 -8.081 -14.902 -6.941 1.00 10.37 H new ATOM 0 HA GLU A 119 -6.705 -16.003 -9.159 1.00 10.83 H new ATOM 0 HB2 GLU A 119 -8.426 -13.548 -8.797 1.00 12.10 H new ATOM 0 HB3 GLU A 119 -7.720 -13.990 -10.339 1.00 12.10 H new ATOM 0 HG2 GLU A 119 -8.891 -16.178 -10.248 1.00 13.08 H new ATOM 0 HG3 GLU A 119 -9.597 -15.736 -8.706 1.00 13.08 H new ATOM 1814 N GLU A 120 -5.365 -13.483 -7.647 1.00 9.24 N ATOM 1815 CA GLU A 120 -4.149 -12.688 -7.517 1.00 8.40 C ATOM 1816 C GLU A 120 -2.999 -13.670 -7.440 1.00 7.57 C ATOM 1817 O GLU A 120 -1.959 -13.478 -8.057 1.00 7.44 O ATOM 1818 CB GLU A 120 -4.174 -11.815 -6.247 1.00 7.71 C ATOM 1819 CG GLU A 120 -3.189 -10.639 -6.241 1.00 7.14 C ATOM 1820 CD GLU A 120 -3.310 -9.719 -7.450 1.00 8.10 C ATOM 1821 OE1 GLU A 120 -4.260 -8.913 -7.492 1.00 8.52 O ATOM 1822 OE2 GLU A 120 -2.450 -9.810 -8.351 1.00 8.58 O ATOM 0 H GLU A 120 -5.973 -13.450 -6.828 1.00 9.24 H new ATOM 0 HA GLU A 120 -4.051 -12.011 -8.365 1.00 8.40 H new ATOM 0 HB2 GLU A 120 -5.183 -11.423 -6.115 1.00 7.71 H new ATOM 0 HB3 GLU A 120 -3.963 -12.449 -5.386 1.00 7.71 H new ATOM 0 HG2 GLU A 120 -3.345 -10.053 -5.335 1.00 7.14 H new ATOM 0 HG3 GLU A 120 -2.173 -11.031 -6.196 1.00 7.14 H new ATOM 1829 N VAL A 121 -3.238 -14.769 -6.712 1.00 7.19 N ATOM 1830 CA VAL A 121 -2.266 -15.801 -6.546 1.00 6.42 C ATOM 1831 C VAL A 121 -2.125 -16.631 -7.824 1.00 7.15 C ATOM 1832 O VAL A 121 -1.014 -16.830 -8.308 1.00 6.95 O ATOM 1833 CB VAL A 121 -2.660 -16.669 -5.335 1.00 5.97 C ATOM 1834 CG1 VAL A 121 -1.582 -17.670 -5.046 1.00 5.00 C ATOM 1835 CG2 VAL A 121 -2.924 -15.793 -4.107 1.00 5.72 C ATOM 0 H VAL A 121 -4.119 -14.946 -6.230 1.00 7.19 H new ATOM 0 HA VAL A 121 -1.289 -15.358 -6.354 1.00 6.42 H new ATOM 0 HB VAL A 121 -3.579 -17.204 -5.574 1.00 5.97 H new ATOM 0 HG11 VAL A 121 -1.870 -18.278 -4.189 1.00 5.00 H new ATOM 0 HG12 VAL A 121 -1.440 -18.312 -5.915 1.00 5.00 H new ATOM 0 HG13 VAL A 121 -0.651 -17.148 -4.824 1.00 5.00 H new ATOM 0 HG21 VAL A 121 -3.201 -16.424 -3.263 1.00 5.72 H new ATOM 0 HG22 VAL A 121 -2.023 -15.231 -3.860 1.00 5.72 H new ATOM 0 HG23 VAL A 121 -3.736 -15.099 -4.323 1.00 5.72 H new ATOM 1845 N ASP A 122 -3.263 -17.054 -8.382 1.00 8.17 N ATOM 1846 CA ASP A 122 -3.293 -17.858 -9.627 1.00 9.00 C ATOM 1847 C ASP A 122 -2.652 -17.102 -10.791 1.00 9.58 C ATOM 1848 O ASP A 122 -2.169 -17.713 -11.745 1.00 10.07 O ATOM 1849 CB ASP A 122 -4.724 -18.261 -9.995 1.00 10.08 C ATOM 1850 CG ASP A 122 -5.352 -19.200 -8.980 1.00 9.97 C ATOM 1851 OD1 ASP A 122 -4.989 -20.396 -8.974 1.00 10.09 O ATOM 1852 OD2 ASP A 122 -6.207 -18.741 -8.195 1.00 9.98 O ATOM 0 H ASP A 122 -4.186 -16.856 -7.995 1.00 8.17 H new ATOM 0 HA ASP A 122 -2.715 -18.762 -9.438 1.00 9.00 H new ATOM 0 HB2 ASP A 122 -5.338 -17.364 -10.082 1.00 10.08 H new ATOM 0 HB3 ASP A 122 -4.721 -18.741 -10.974 1.00 10.08 H new ATOM 1857 N GLU A 123 -2.655 -15.766 -10.682 1.00 9.61 N ATOM 1858 CA GLU A 123 -2.053 -14.880 -11.685 1.00 10.24 C ATOM 1859 C GLU A 123 -0.524 -14.954 -11.615 1.00 9.65 C ATOM 1860 O GLU A 123 0.152 -14.953 -12.647 1.00 10.36 O ATOM 1861 CB GLU A 123 -2.518 -13.434 -11.482 1.00 10.45 C ATOM 1862 CG GLU A 123 -3.738 -13.065 -12.311 1.00 11.70 C ATOM 1863 CD GLU A 123 -4.185 -11.634 -12.085 1.00 11.94 C ATOM 1864 OE1 GLU A 123 -3.709 -10.741 -12.817 1.00 12.02 O ATOM 1865 OE2 GLU A 123 -5.010 -11.406 -11.176 1.00 12.16 O ATOM 0 H GLU A 123 -3.075 -15.270 -9.896 1.00 9.61 H new ATOM 0 HA GLU A 123 -2.378 -15.213 -12.671 1.00 10.24 H new ATOM 0 HB2 GLU A 123 -2.745 -13.279 -10.427 1.00 10.45 H new ATOM 0 HB3 GLU A 123 -1.700 -12.759 -11.734 1.00 10.45 H new ATOM 0 HG2 GLU A 123 -3.512 -13.209 -13.368 1.00 11.70 H new ATOM 0 HG3 GLU A 123 -4.557 -13.741 -12.066 1.00 11.70 H new ATOM 1872 N MET A 124 0.006 -15.014 -10.379 1.00 8.45 N ATOM 1873 CA MET A 124 1.448 -15.126 -10.147 1.00 7.91 C ATOM 1874 C MET A 124 1.905 -16.573 -10.178 1.00 7.70 C ATOM 1875 O MET A 124 3.096 -16.848 -10.353 1.00 7.76 O ATOM 1876 CB MET A 124 1.834 -14.494 -8.807 1.00 6.78 C ATOM 1877 CG MET A 124 2.306 -13.052 -8.919 1.00 6.98 C ATOM 1878 SD MET A 124 1.622 -11.987 -7.633 1.00 6.62 S ATOM 1879 CE MET A 124 -0.021 -11.706 -8.283 1.00 7.40 C ATOM 0 H MET A 124 -0.551 -14.986 -9.525 1.00 8.45 H new ATOM 0 HA MET A 124 1.947 -14.589 -10.953 1.00 7.91 H new ATOM 0 HB2 MET A 124 0.975 -14.534 -8.137 1.00 6.78 H new ATOM 0 HB3 MET A 124 2.624 -15.090 -8.349 1.00 6.78 H new ATOM 0 HG2 MET A 124 3.394 -13.026 -8.864 1.00 6.98 H new ATOM 0 HG3 MET A 124 2.026 -12.658 -9.896 1.00 6.98 H new ATOM 0 HE1 MET A 124 -0.746 -11.749 -7.470 1.00 7.40 H new ATOM 0 HE2 MET A 124 -0.063 -10.724 -8.755 1.00 7.40 H new ATOM 0 HE3 MET A 124 -0.257 -12.473 -9.020 1.00 7.40 H new ATOM 1889 N ILE A 125 0.953 -17.494 -10.007 1.00 7.60 N ATOM 1890 CA ILE A 125 1.245 -18.916 -10.021 1.00 7.41 C ATOM 1891 C ILE A 125 1.727 -19.388 -11.389 1.00 8.49 C ATOM 1892 O ILE A 125 2.692 -20.145 -11.483 1.00 8.45 O ATOM 1893 CB ILE A 125 0.056 -19.756 -9.548 1.00 7.24 C ATOM 1894 CG1 ILE A 125 -0.171 -19.529 -8.054 1.00 6.16 C ATOM 1895 CG2 ILE A 125 0.362 -21.197 -9.822 1.00 7.27 C ATOM 1896 CD1 ILE A 125 -1.515 -19.956 -7.554 1.00 6.48 C ATOM 0 H ILE A 125 -0.031 -17.271 -9.857 1.00 7.60 H new ATOM 0 HA ILE A 125 2.058 -19.065 -9.311 1.00 7.41 H new ATOM 0 HB ILE A 125 -0.852 -19.468 -10.078 1.00 7.24 H new ATOM 0 HG12 ILE A 125 0.596 -20.067 -7.498 1.00 6.16 H new ATOM 0 HG13 ILE A 125 -0.038 -18.469 -7.837 1.00 6.16 H new ATOM 0 HG21 ILE A 125 -0.473 -21.815 -9.492 1.00 7.27 H new ATOM 0 HG22 ILE A 125 0.519 -21.339 -10.891 1.00 7.27 H new ATOM 0 HG23 ILE A 125 1.263 -21.487 -9.282 1.00 7.27 H new ATOM 0 HD11 ILE A 125 -1.585 -19.757 -6.485 1.00 6.48 H new ATOM 0 HD12 ILE A 125 -2.292 -19.400 -8.079 1.00 6.48 H new ATOM 0 HD13 ILE A 125 -1.648 -21.023 -7.734 1.00 6.48 H new ATOM 1908 N ARG A 126 1.005 -18.971 -12.423 1.00 9.53 N ATOM 1909 CA ARG A 126 1.346 -19.271 -13.833 1.00 10.70 C ATOM 1910 C ARG A 126 2.844 -19.069 -14.086 1.00 10.89 C ATOM 1911 O ARG A 126 3.464 -19.833 -14.832 1.00 11.45 O ATOM 1912 CB ARG A 126 0.572 -18.366 -14.801 1.00 11.76 C ATOM 1913 CG ARG A 126 -0.928 -18.293 -14.563 1.00 12.03 C ATOM 1914 CD ARG A 126 -1.380 -16.847 -14.500 1.00 12.20 C ATOM 1915 NE ARG A 126 -2.822 -16.728 -14.254 1.00 12.92 N ATOM 1916 CZ ARG A 126 -3.571 -15.670 -14.597 1.00 13.50 C ATOM 1917 NH1 ARG A 126 -3.034 -14.615 -15.208 1.00 13.44 N ATOM 1918 NH2 ARG A 126 -4.869 -15.670 -14.324 1.00 14.26 N ATOM 0 H ARG A 126 0.159 -18.411 -12.319 1.00 9.53 H new ATOM 0 HA ARG A 126 1.073 -20.311 -14.009 1.00 10.70 H new ATOM 0 HB2 ARG A 126 0.983 -17.358 -14.738 1.00 11.76 H new ATOM 0 HB3 ARG A 126 0.745 -18.717 -15.818 1.00 11.76 H new ATOM 0 HG2 ARG A 126 -1.456 -18.812 -15.363 1.00 12.03 H new ATOM 0 HG3 ARG A 126 -1.181 -18.801 -13.632 1.00 12.03 H new ATOM 0 HD2 ARG A 126 -0.834 -16.332 -13.710 1.00 12.20 H new ATOM 0 HD3 ARG A 126 -1.130 -16.349 -15.437 1.00 12.20 H new ATOM 0 HE ARG A 126 -3.288 -17.507 -13.788 1.00 12.92 H new ATOM 0 HH11 ARG A 126 -2.037 -14.603 -15.423 1.00 13.44 H new ATOM 0 HH12 ARG A 126 -3.620 -13.819 -15.461 1.00 13.44 H new ATOM 0 HH21 ARG A 126 -5.292 -16.472 -13.856 1.00 14.26 H new ATOM 0 HH22 ARG A 126 -5.444 -14.868 -14.582 1.00 14.26 H new ATOM 1932 N GLU A 127 3.411 -18.022 -13.450 1.00 10.50 N ATOM 1933 CA GLU A 127 4.837 -17.716 -13.563 1.00 10.79 C ATOM 1934 C GLU A 127 5.673 -18.646 -12.677 1.00 10.06 C ATOM 1935 O GLU A 127 6.827 -18.946 -12.998 1.00 10.61 O ATOM 1936 CB GLU A 127 5.084 -16.261 -13.167 1.00 10.70 C ATOM 1937 CG GLU A 127 4.608 -15.245 -14.205 1.00 11.77 C ATOM 1938 CD GLU A 127 3.105 -15.015 -14.175 1.00 12.85 C ATOM 1939 OE1 GLU A 127 2.665 -14.031 -13.545 1.00 13.26 O ATOM 1940 OE2 GLU A 127 2.370 -15.819 -14.786 1.00 13.42 O ATOM 0 H GLU A 127 2.893 -17.377 -12.853 1.00 10.50 H new ATOM 0 HA GLU A 127 5.140 -17.870 -14.599 1.00 10.79 H new ATOM 0 HB2 GLU A 127 4.580 -16.062 -12.221 1.00 10.70 H new ATOM 0 HB3 GLU A 127 6.151 -16.118 -12.996 1.00 10.70 H new ATOM 0 HG2 GLU A 127 5.117 -14.296 -14.035 1.00 11.77 H new ATOM 0 HG3 GLU A 127 4.896 -15.588 -15.198 1.00 11.77 H new ATOM 1947 N ALA A 128 5.073 -19.096 -11.561 1.00 8.89 N ATOM 1948 CA ALA A 128 5.735 -20.002 -10.614 1.00 8.16 C ATOM 1949 C ALA A 128 5.748 -21.462 -11.075 1.00 8.57 C ATOM 1950 O ALA A 128 6.649 -22.220 -10.704 1.00 8.66 O ATOM 1951 CB ALA A 128 5.019 -19.938 -9.287 1.00 6.87 C ATOM 0 H ALA A 128 4.122 -18.842 -11.294 1.00 8.89 H new ATOM 0 HA ALA A 128 6.770 -19.670 -10.539 1.00 8.16 H new ATOM 0 HB1 ALA A 128 5.505 -20.609 -8.578 1.00 6.87 H new ATOM 0 HB2 ALA A 128 5.054 -18.918 -8.904 1.00 6.87 H new ATOM 0 HB3 ALA A 128 3.980 -20.241 -9.419 1.00 6.87 H new ATOM 1957 N ALA A 129 4.725 -21.845 -11.871 1.00 8.95 N ATOM 1958 CA ALA A 129 4.525 -23.226 -12.380 1.00 9.43 C ATOM 1959 C ALA A 129 3.873 -24.085 -11.290 1.00 8.51 C ATOM 1960 O ALA A 129 2.819 -24.686 -11.513 1.00 8.76 O ATOM 1961 CB ALA A 129 5.815 -23.872 -12.905 1.00 10.42 C ATOM 0 H ALA A 129 4.003 -21.196 -12.184 1.00 8.95 H new ATOM 0 HA ALA A 129 3.860 -23.164 -13.241 1.00 9.43 H new ATOM 0 HB1 ALA A 129 5.599 -24.879 -13.262 1.00 10.42 H new ATOM 0 HB2 ALA A 129 6.213 -23.275 -13.725 1.00 10.42 H new ATOM 0 HB3 ALA A 129 6.550 -23.922 -12.102 1.00 10.42 H new ATOM 1967 N ILE A 130 4.517 -24.118 -10.101 1.00 7.54 N ATOM 1968 CA ILE A 130 4.030 -24.845 -8.903 1.00 6.69 C ATOM 1969 C ILE A 130 4.080 -26.373 -9.028 1.00 6.68 C ATOM 1970 O ILE A 130 4.427 -27.067 -8.070 1.00 6.97 O ATOM 1971 CB ILE A 130 2.597 -24.343 -8.484 1.00 5.80 C ATOM 1972 CG1 ILE A 130 2.624 -23.745 -7.072 1.00 5.43 C ATOM 1973 CG2 ILE A 130 1.518 -25.427 -8.567 1.00 6.19 C ATOM 1974 CD1 ILE A 130 3.102 -22.304 -7.008 1.00 4.53 C ATOM 0 H ILE A 130 5.401 -23.635 -9.943 1.00 7.54 H new ATOM 0 HA ILE A 130 4.733 -24.605 -8.105 1.00 6.69 H new ATOM 0 HB ILE A 130 2.328 -23.575 -9.209 1.00 5.80 H new ATOM 0 HG12 ILE A 130 1.621 -23.801 -6.648 1.00 5.43 H new ATOM 0 HG13 ILE A 130 3.271 -24.358 -6.444 1.00 5.43 H new ATOM 0 HG21 ILE A 130 0.558 -25.009 -8.264 1.00 6.19 H new ATOM 0 HG22 ILE A 130 1.447 -25.792 -9.591 1.00 6.19 H new ATOM 0 HG23 ILE A 130 1.780 -26.252 -7.905 1.00 6.19 H new ATOM 0 HD11 ILE A 130 3.089 -21.962 -5.973 1.00 4.53 H new ATOM 0 HD12 ILE A 130 4.117 -22.240 -7.399 1.00 4.53 H new ATOM 0 HD13 ILE A 130 2.443 -21.675 -7.606 1.00 4.53 H new ATOM 1986 N ASP A 131 3.732 -26.868 -10.208 1.00 6.58 N ATOM 1987 CA ASP A 131 3.690 -28.308 -10.500 1.00 6.68 C ATOM 1988 C ASP A 131 5.031 -29.003 -10.238 1.00 6.59 C ATOM 1989 O ASP A 131 6.097 -28.391 -10.353 1.00 6.80 O ATOM 1990 CB ASP A 131 3.245 -28.538 -11.949 1.00 7.70 C ATOM 1991 CG ASP A 131 2.554 -29.877 -12.149 1.00 7.98 C ATOM 1992 OD1 ASP A 131 1.313 -29.931 -12.020 1.00 8.18 O ATOM 1993 OD2 ASP A 131 3.256 -30.870 -12.435 1.00 8.25 O ATOM 0 H ASP A 131 3.468 -26.283 -11.001 1.00 6.58 H new ATOM 0 HA ASP A 131 2.965 -28.753 -9.819 1.00 6.68 H new ATOM 0 HB2 ASP A 131 2.568 -27.737 -12.248 1.00 7.70 H new ATOM 0 HB3 ASP A 131 4.114 -28.482 -12.604 1.00 7.70 H new ATOM 1998 N GLY A 132 4.941 -30.289 -9.886 1.00 6.49 N ATOM 1999 CA GLY A 132 6.118 -31.083 -9.581 1.00 6.52 C ATOM 2000 C GLY A 132 6.296 -31.265 -8.087 1.00 5.87 C ATOM 2001 O GLY A 132 6.512 -32.384 -7.613 1.00 6.01 O ATOM 0 H GLY A 132 4.060 -30.796 -9.807 1.00 6.49 H new ATOM 0 HA2 GLY A 132 6.033 -32.059 -10.060 1.00 6.52 H new ATOM 0 HA3 GLY A 132 7.002 -30.599 -9.997 1.00 6.52 H new ATOM 2005 N ASP A 133 6.204 -30.151 -7.351 1.00 5.34 N ATOM 2006 CA ASP A 133 6.347 -30.151 -5.900 1.00 4.95 C ATOM 2007 C ASP A 133 5.040 -29.749 -5.278 1.00 4.57 C ATOM 2008 O ASP A 133 4.674 -30.192 -4.185 1.00 4.65 O ATOM 2009 CB ASP A 133 7.358 -29.108 -5.475 1.00 4.99 C ATOM 2010 CG ASP A 133 8.233 -29.561 -4.322 1.00 5.63 C ATOM 2011 OD1 ASP A 133 9.306 -30.145 -4.585 1.00 6.07 O ATOM 2012 OD2 ASP A 133 7.846 -29.332 -3.157 1.00 5.97 O ATOM 0 H ASP A 133 6.029 -29.228 -7.749 1.00 5.34 H new ATOM 0 HA ASP A 133 6.660 -31.147 -5.587 1.00 4.95 H new ATOM 0 HB2 ASP A 133 7.991 -28.856 -6.326 1.00 4.99 H new ATOM 0 HB3 ASP A 133 6.832 -28.197 -5.188 1.00 4.99 H new ATOM 2017 N GLY A 134 4.348 -28.890 -6.023 1.00 4.47 N ATOM 2018 CA GLY A 134 3.104 -28.347 -5.594 1.00 4.33 C ATOM 2019 C GLY A 134 3.250 -27.074 -4.759 1.00 3.73 C ATOM 2020 O GLY A 134 2.271 -26.355 -4.540 1.00 3.75 O ATOM 0 H GLY A 134 4.652 -28.563 -6.940 1.00 4.47 H new ATOM 0 HA2 GLY A 134 2.490 -28.130 -6.468 1.00 4.33 H new ATOM 0 HA3 GLY A 134 2.572 -29.097 -5.009 1.00 4.33 H new ATOM 2024 N GLN A 135 4.480 -26.812 -4.300 1.00 3.55 N ATOM 2025 CA GLN A 135 4.809 -25.633 -3.497 1.00 3.33 C ATOM 2026 C GLN A 135 5.760 -24.733 -4.307 1.00 3.69 C ATOM 2027 O GLN A 135 6.114 -25.075 -5.441 1.00 4.33 O ATOM 2028 CB GLN A 135 5.452 -26.061 -2.166 1.00 3.82 C ATOM 2029 CG GLN A 135 4.833 -27.302 -1.525 1.00 4.41 C ATOM 2030 CD GLN A 135 5.652 -27.832 -0.364 1.00 5.26 C ATOM 2031 OE1 GLN A 135 6.552 -28.651 -0.548 1.00 5.74 O ATOM 2032 NE2 GLN A 135 5.339 -27.371 0.841 1.00 5.78 N ATOM 0 H GLN A 135 5.280 -27.419 -4.478 1.00 3.55 H new ATOM 0 HA GLN A 135 3.902 -25.075 -3.263 1.00 3.33 H new ATOM 0 HB2 GLN A 135 6.513 -26.247 -2.334 1.00 3.82 H new ATOM 0 HB3 GLN A 135 5.382 -25.232 -1.462 1.00 3.82 H new ATOM 0 HG2 GLN A 135 3.828 -27.063 -1.176 1.00 4.41 H new ATOM 0 HG3 GLN A 135 4.731 -28.083 -2.279 1.00 4.41 H new ATOM 0 HE21 GLN A 135 4.585 -26.692 0.947 1.00 5.78 H new ATOM 0 HE22 GLN A 135 5.852 -27.696 1.660 1.00 5.78 H new ATOM 2041 N VAL A 136 6.174 -23.591 -3.737 1.00 3.59 N ATOM 2042 CA VAL A 136 7.063 -22.658 -4.431 1.00 4.23 C ATOM 2043 C VAL A 136 8.072 -22.019 -3.464 1.00 4.67 C ATOM 2044 O VAL A 136 8.155 -22.409 -2.300 1.00 4.74 O ATOM 2045 CB VAL A 136 6.222 -21.608 -5.252 1.00 4.02 C ATOM 2046 CG1 VAL A 136 5.338 -20.740 -4.362 1.00 3.51 C ATOM 2047 CG2 VAL A 136 7.069 -20.740 -6.184 1.00 5.08 C ATOM 0 H VAL A 136 5.906 -23.295 -2.798 1.00 3.59 H new ATOM 0 HA VAL A 136 7.664 -23.210 -5.154 1.00 4.23 H new ATOM 0 HB VAL A 136 5.571 -22.210 -5.886 1.00 4.02 H new ATOM 0 HG11 VAL A 136 4.781 -20.035 -4.979 1.00 3.51 H new ATOM 0 HG12 VAL A 136 4.640 -21.373 -3.814 1.00 3.51 H new ATOM 0 HG13 VAL A 136 5.961 -20.191 -3.656 1.00 3.51 H new ATOM 0 HG21 VAL A 136 6.424 -20.041 -6.716 1.00 5.08 H new ATOM 0 HG22 VAL A 136 7.801 -20.184 -5.598 1.00 5.08 H new ATOM 0 HG23 VAL A 136 7.587 -21.375 -6.903 1.00 5.08 H new ATOM 2057 N ASN A 137 8.843 -21.064 -3.979 1.00 5.28 N ATOM 2058 CA ASN A 137 9.874 -20.379 -3.193 1.00 5.95 C ATOM 2059 C ASN A 137 9.420 -18.983 -2.740 1.00 5.49 C ATOM 2060 O ASN A 137 8.254 -18.607 -2.890 1.00 4.60 O ATOM 2061 CB ASN A 137 11.206 -20.285 -3.967 1.00 7.18 C ATOM 2062 CG ASN A 137 11.755 -21.638 -4.382 1.00 7.90 C ATOM 2063 OD1 ASN A 137 11.358 -22.197 -5.404 1.00 8.11 O ATOM 2064 ND2 ASN A 137 12.683 -22.164 -3.591 1.00 8.51 N ATOM 0 H ASN A 137 8.774 -20.743 -4.945 1.00 5.28 H new ATOM 0 HA ASN A 137 10.037 -20.983 -2.300 1.00 5.95 H new ATOM 0 HB2 ASN A 137 11.059 -19.672 -4.856 1.00 7.18 H new ATOM 0 HB3 ASN A 137 11.944 -19.776 -3.347 1.00 7.18 H new ATOM 0 HD21 ASN A 137 13.097 -23.067 -3.821 1.00 8.51 H new ATOM 0 HD22 ASN A 137 12.982 -21.665 -2.753 1.00 8.51 H new ATOM 2071 N TYR A 138 10.380 -18.241 -2.191 1.00 6.22 N ATOM 2072 CA TYR A 138 10.189 -16.899 -1.643 1.00 6.03 C ATOM 2073 C TYR A 138 10.613 -15.820 -2.637 1.00 6.55 C ATOM 2074 O TYR A 138 9.929 -14.806 -2.804 1.00 6.13 O ATOM 2075 CB TYR A 138 11.032 -16.750 -0.354 1.00 6.78 C ATOM 2076 CG TYR A 138 12.293 -17.593 -0.376 1.00 7.93 C ATOM 2077 CD1 TYR A 138 12.216 -18.960 -0.616 1.00 8.62 C ATOM 2078 CD2 TYR A 138 13.546 -17.028 -0.218 1.00 8.50 C ATOM 2079 CE1 TYR A 138 13.322 -19.729 -0.701 1.00 9.65 C ATOM 2080 CE2 TYR A 138 14.683 -17.807 -0.289 1.00 9.54 C ATOM 2081 CZ TYR A 138 14.568 -19.162 -0.535 1.00 10.06 C ATOM 2082 OH TYR A 138 15.697 -19.944 -0.621 1.00 11.13 O ATOM 0 H TYR A 138 11.343 -18.568 -2.113 1.00 6.22 H new ATOM 0 HA TYR A 138 9.128 -16.771 -1.428 1.00 6.03 H new ATOM 0 HB2 TYR A 138 11.303 -15.703 -0.221 1.00 6.78 H new ATOM 0 HB3 TYR A 138 10.426 -17.034 0.506 1.00 6.78 H new ATOM 0 HD1 TYR A 138 11.246 -19.419 -0.738 1.00 8.62 H new ATOM 0 HD2 TYR A 138 13.635 -15.967 -0.037 1.00 8.50 H new ATOM 0 HE1 TYR A 138 13.231 -20.787 -0.899 1.00 9.65 H new ATOM 0 HE2 TYR A 138 15.657 -17.360 -0.153 1.00 9.54 H new ATOM 0 HH TYR A 138 16.492 -19.388 -0.481 1.00 11.13 H new ATOM 2092 N GLU A 139 11.758 -16.066 -3.292 1.00 7.59 N ATOM 2093 CA GLU A 139 12.349 -15.136 -4.267 1.00 8.39 C ATOM 2094 C GLU A 139 11.574 -15.104 -5.578 1.00 8.26 C ATOM 2095 O GLU A 139 11.627 -14.120 -6.319 1.00 8.61 O ATOM 2096 CB GLU A 139 13.787 -15.551 -4.564 1.00 9.64 C ATOM 2097 CG GLU A 139 14.756 -15.314 -3.413 1.00 10.21 C ATOM 2098 CD GLU A 139 16.172 -15.741 -3.746 1.00 11.39 C ATOM 2099 OE1 GLU A 139 16.941 -14.901 -4.258 1.00 11.90 O ATOM 2100 OE2 GLU A 139 16.512 -16.916 -3.494 1.00 11.94 O ATOM 0 H GLU A 139 12.302 -16.919 -3.160 1.00 7.59 H new ATOM 0 HA GLU A 139 12.313 -14.141 -3.824 1.00 8.39 H new ATOM 0 HB2 GLU A 139 13.801 -16.609 -4.824 1.00 9.64 H new ATOM 0 HB3 GLU A 139 14.138 -15.003 -5.438 1.00 9.64 H new ATOM 0 HG2 GLU A 139 14.752 -14.256 -3.151 1.00 10.21 H new ATOM 0 HG3 GLU A 139 14.412 -15.861 -2.535 1.00 10.21 H new ATOM 2107 N GLU A 140 10.883 -16.201 -5.861 1.00 7.94 N ATOM 2108 CA GLU A 140 10.100 -16.332 -7.084 1.00 8.10 C ATOM 2109 C GLU A 140 8.657 -15.837 -6.932 1.00 7.13 C ATOM 2110 O GLU A 140 8.156 -15.157 -7.825 1.00 7.54 O ATOM 2111 CB GLU A 140 10.096 -17.790 -7.558 1.00 8.42 C ATOM 2112 CG GLU A 140 11.415 -18.246 -8.166 1.00 9.47 C ATOM 2113 CD GLU A 140 11.377 -19.690 -8.625 1.00 9.95 C ATOM 2114 OE1 GLU A 140 11.016 -19.931 -9.796 1.00 10.29 O ATOM 2115 OE2 GLU A 140 11.709 -20.580 -7.814 1.00 10.17 O ATOM 0 H GLU A 140 10.849 -17.020 -5.254 1.00 7.94 H new ATOM 0 HA GLU A 140 10.581 -15.696 -7.827 1.00 8.10 H new ATOM 0 HB2 GLU A 140 9.854 -18.435 -6.713 1.00 8.42 H new ATOM 0 HB3 GLU A 140 9.304 -17.920 -8.295 1.00 8.42 H new ATOM 0 HG2 GLU A 140 11.661 -17.606 -9.013 1.00 9.47 H new ATOM 0 HG3 GLU A 140 12.211 -18.123 -7.432 1.00 9.47 H new ATOM 2122 N PHE A 141 7.985 -16.190 -5.823 1.00 5.98 N ATOM 2123 CA PHE A 141 6.587 -15.809 -5.628 1.00 5.06 C ATOM 2124 C PHE A 141 6.328 -14.445 -4.985 1.00 4.76 C ATOM 2125 O PHE A 141 5.770 -13.556 -5.635 1.00 5.06 O ATOM 2126 CB PHE A 141 5.838 -16.909 -4.881 1.00 3.97 C ATOM 2127 CG PHE A 141 4.516 -17.185 -5.498 1.00 3.73 C ATOM 2128 CD1 PHE A 141 4.343 -18.275 -6.325 1.00 3.83 C ATOM 2129 CD2 PHE A 141 3.461 -16.335 -5.266 1.00 4.10 C ATOM 2130 CE1 PHE A 141 3.126 -18.518 -6.920 1.00 4.24 C ATOM 2131 CE2 PHE A 141 2.240 -16.562 -5.850 1.00 4.47 C ATOM 2132 CZ PHE A 141 2.075 -17.651 -6.678 1.00 4.52 C ATOM 0 H PHE A 141 8.387 -16.733 -5.059 1.00 5.98 H new ATOM 0 HA PHE A 141 6.201 -15.692 -6.641 1.00 5.06 H new ATOM 0 HB2 PHE A 141 6.436 -17.820 -4.878 1.00 3.97 H new ATOM 0 HB3 PHE A 141 5.700 -16.615 -3.841 1.00 3.97 H new ATOM 0 HD1 PHE A 141 5.171 -18.944 -6.508 1.00 3.83 H new ATOM 0 HD2 PHE A 141 3.594 -15.481 -4.618 1.00 4.10 H new ATOM 0 HE1 PHE A 141 2.993 -19.373 -7.566 1.00 4.24 H new ATOM 0 HE2 PHE A 141 1.414 -15.892 -5.662 1.00 4.47 H new ATOM 0 HZ PHE A 141 1.116 -17.830 -7.142 1.00 4.52 H new ATOM 2142 N VAL A 142 6.721 -14.289 -3.721 1.00 4.40 N ATOM 2143 CA VAL A 142 6.508 -13.021 -2.964 1.00 4.15 C ATOM 2144 C VAL A 142 7.176 -11.882 -3.692 1.00 5.25 C ATOM 2145 O VAL A 142 6.593 -10.814 -3.886 1.00 5.25 O ATOM 2146 CB VAL A 142 7.075 -13.053 -1.512 1.00 4.09 C ATOM 2147 CG1 VAL A 142 6.351 -12.070 -0.604 1.00 3.37 C ATOM 2148 CG2 VAL A 142 7.011 -14.440 -0.931 1.00 3.96 C ATOM 0 H VAL A 142 7.191 -15.018 -3.184 1.00 4.40 H new ATOM 0 HA VAL A 142 5.428 -12.890 -2.897 1.00 4.15 H new ATOM 0 HB VAL A 142 8.121 -12.751 -1.573 1.00 4.09 H new ATOM 0 HG11 VAL A 142 6.774 -12.122 0.399 1.00 3.37 H new ATOM 0 HG12 VAL A 142 6.467 -11.059 -0.996 1.00 3.37 H new ATOM 0 HG13 VAL A 142 5.292 -12.324 -0.564 1.00 3.37 H new ATOM 0 HG21 VAL A 142 7.414 -14.429 0.082 1.00 3.96 H new ATOM 0 HG22 VAL A 142 5.975 -14.777 -0.906 1.00 3.96 H new ATOM 0 HG23 VAL A 142 7.598 -15.120 -1.548 1.00 3.96 H new ATOM 2158 N GLN A 143 8.415 -12.136 -4.084 1.00 6.26 N ATOM 2159 CA GLN A 143 9.190 -11.148 -4.839 1.00 7.42 C ATOM 2160 C GLN A 143 8.511 -10.793 -6.164 1.00 7.74 C ATOM 2161 O GLN A 143 8.665 -9.671 -6.656 1.00 8.48 O ATOM 2162 CB GLN A 143 10.626 -11.616 -5.074 1.00 8.47 C ATOM 2163 CG GLN A 143 11.545 -11.387 -3.881 1.00 9.24 C ATOM 2164 CD GLN A 143 13.013 -11.411 -4.260 1.00 10.23 C ATOM 2165 OE1 GLN A 143 13.660 -12.457 -4.226 1.00 10.70 O ATOM 2166 NE2 GLN A 143 13.548 -10.252 -4.624 1.00 10.74 N ATOM 0 H GLN A 143 8.908 -13.009 -3.897 1.00 6.26 H new ATOM 0 HA GLN A 143 9.230 -10.245 -4.231 1.00 7.42 H new ATOM 0 HB2 GLN A 143 10.618 -12.679 -5.317 1.00 8.47 H new ATOM 0 HB3 GLN A 143 11.032 -11.094 -5.940 1.00 8.47 H new ATOM 0 HG2 GLN A 143 11.308 -10.426 -3.424 1.00 9.24 H new ATOM 0 HG3 GLN A 143 11.355 -12.153 -3.129 1.00 9.24 H new ATOM 0 HE21 GLN A 143 12.975 -9.408 -4.638 1.00 10.74 H new ATOM 0 HE22 GLN A 143 14.532 -10.205 -4.889 1.00 10.74 H new ATOM 2175 N MET A 144 7.762 -11.749 -6.736 1.00 7.32 N ATOM 2176 CA MET A 144 7.037 -11.503 -7.979 1.00 7.88 C ATOM 2177 C MET A 144 5.653 -10.942 -7.728 1.00 7.37 C ATOM 2178 O MET A 144 4.931 -10.566 -8.657 1.00 8.01 O ATOM 2179 CB MET A 144 6.968 -12.754 -8.857 1.00 8.04 C ATOM 2180 CG MET A 144 7.171 -12.480 -10.338 1.00 9.33 C ATOM 2181 SD MET A 144 6.399 -13.725 -11.390 1.00 9.76 S ATOM 2182 CE MET A 144 4.740 -13.063 -11.532 1.00 9.64 C ATOM 0 H MET A 144 7.647 -12.689 -6.357 1.00 7.32 H new ATOM 0 HA MET A 144 7.604 -10.748 -8.523 1.00 7.88 H new ATOM 0 HB2 MET A 144 7.725 -13.463 -8.522 1.00 8.04 H new ATOM 0 HB3 MET A 144 5.999 -13.232 -8.716 1.00 8.04 H new ATOM 0 HG2 MET A 144 6.761 -11.500 -10.581 1.00 9.33 H new ATOM 0 HG3 MET A 144 8.239 -12.441 -10.553 1.00 9.33 H new ATOM 0 HE1 MET A 144 4.015 -13.865 -11.391 1.00 9.64 H new ATOM 0 HE2 MET A 144 4.587 -12.298 -10.771 1.00 9.64 H new ATOM 0 HE3 MET A 144 4.607 -12.623 -12.520 1.00 9.64 H new ATOM 2192 N MET A 145 5.316 -10.890 -6.463 1.00 6.37 N ATOM 2193 CA MET A 145 4.042 -10.346 -6.015 1.00 5.88 C ATOM 2194 C MET A 145 4.267 -8.896 -5.582 1.00 6.25 C ATOM 2195 O MET A 145 3.330 -8.098 -5.488 1.00 6.33 O ATOM 2196 CB MET A 145 3.404 -11.232 -4.916 1.00 4.66 C ATOM 2197 CG MET A 145 3.659 -10.794 -3.483 1.00 3.68 C ATOM 2198 SD MET A 145 3.206 -12.048 -2.280 1.00 3.52 S ATOM 2199 CE MET A 145 3.042 -11.026 -0.824 1.00 3.45 C ATOM 0 H MET A 145 5.914 -11.223 -5.707 1.00 6.37 H new ATOM 0 HA MET A 145 3.317 -10.349 -6.829 1.00 5.88 H new ATOM 0 HB2 MET A 145 2.327 -11.263 -5.080 1.00 4.66 H new ATOM 0 HB3 MET A 145 3.774 -12.250 -5.036 1.00 4.66 H new ATOM 0 HG2 MET A 145 4.715 -10.549 -3.365 1.00 3.68 H new ATOM 0 HG3 MET A 145 3.096 -9.883 -3.281 1.00 3.68 H new ATOM 0 HE1 MET A 145 2.452 -11.553 -0.074 1.00 3.45 H new ATOM 0 HE2 MET A 145 4.030 -10.807 -0.420 1.00 3.45 H new ATOM 0 HE3 MET A 145 2.543 -10.093 -1.088 1.00 3.45 H new ATOM 2209 N THR A 146 5.547 -8.596 -5.323 1.00 6.65 N ATOM 2210 CA THR A 146 5.999 -7.264 -4.952 1.00 7.20 C ATOM 2211 C THR A 146 6.430 -6.516 -6.224 1.00 8.45 C ATOM 2212 O THR A 146 6.429 -5.282 -6.254 1.00 8.99 O ATOM 2213 CB THR A 146 7.180 -7.322 -3.949 1.00 7.31 C ATOM 2214 OG1 THR A 146 6.953 -8.354 -2.981 1.00 6.44 O ATOM 2215 CG2 THR A 146 7.364 -5.993 -3.218 1.00 7.72 C ATOM 0 H THR A 146 6.299 -9.284 -5.368 1.00 6.65 H new ATOM 0 HA THR A 146 5.178 -6.740 -4.463 1.00 7.20 H new ATOM 0 HB THR A 146 8.083 -7.533 -4.522 1.00 7.31 H new ATOM 0 HG1 THR A 146 7.071 -9.230 -3.403 1.00 6.44 H new ATOM 0 HG21 THR A 146 8.201 -6.072 -2.524 1.00 7.72 H new ATOM 0 HG22 THR A 146 7.567 -5.204 -3.942 1.00 7.72 H new ATOM 0 HG23 THR A 146 6.456 -5.753 -2.665 1.00 7.72 H new ATOM 2223 N ALA A 147 6.797 -7.287 -7.273 1.00 8.92 N ATOM 2224 CA ALA A 147 7.211 -6.716 -8.554 1.00 10.15 C ATOM 2225 C ALA A 147 6.016 -6.547 -9.498 1.00 10.43 C ATOM 2226 O ALA A 147 5.953 -5.573 -10.253 1.00 11.37 O ATOM 2227 CB ALA A 147 8.276 -7.589 -9.199 1.00 10.68 C ATOM 0 H ALA A 147 6.811 -8.307 -7.247 1.00 8.92 H new ATOM 0 HA ALA A 147 7.630 -5.728 -8.364 1.00 10.15 H new ATOM 0 HB1 ALA A 147 8.576 -7.153 -10.152 1.00 10.68 H new ATOM 0 HB2 ALA A 147 9.142 -7.652 -8.541 1.00 10.68 H new ATOM 0 HB3 ALA A 147 7.874 -8.588 -9.367 1.00 10.68 H new ATOM 2233 N LYS A 148 5.073 -7.506 -9.446 1.00 9.72 N ATOM 2234 CA LYS A 148 3.875 -7.478 -10.284 1.00 10.13 C ATOM 2235 C LYS A 148 2.685 -8.091 -9.545 1.00 9.70 C ATOM 2236 O LYS A 148 1.736 -7.341 -9.235 1.00 9.60 O ATOM 2237 CB LYS A 148 4.072 -8.188 -11.651 1.00 10.60 C ATOM 2238 CG LYS A 148 5.256 -9.153 -11.730 1.00 11.38 C ATOM 2239 CD LYS A 148 6.498 -8.457 -12.264 1.00 11.36 C ATOM 2240 CE LYS A 148 7.682 -9.407 -12.354 1.00 12.34 C ATOM 2241 NZ LYS A 148 8.868 -8.759 -12.978 1.00 12.59 N ATOM 2242 OXT LYS A 148 2.713 -9.312 -9.273 1.00 9.69 O ATOM 0 H LYS A 148 5.125 -8.313 -8.825 1.00 9.72 H new ATOM 0 HA LYS A 148 3.674 -6.428 -10.495 1.00 10.13 H new ATOM 0 HB2 LYS A 148 3.162 -8.738 -11.889 1.00 10.60 H new ATOM 0 HB3 LYS A 148 4.195 -7.427 -12.421 1.00 10.60 H new ATOM 0 HG2 LYS A 148 5.462 -9.562 -10.741 1.00 11.38 H new ATOM 0 HG3 LYS A 148 5.001 -9.994 -12.375 1.00 11.38 H new ATOM 0 HD2 LYS A 148 6.288 -8.044 -13.250 1.00 11.36 H new ATOM 0 HD3 LYS A 148 6.753 -7.619 -11.615 1.00 11.36 H new ATOM 0 HE2 LYS A 148 7.943 -9.757 -11.355 1.00 12.34 H new ATOM 0 HE3 LYS A 148 7.400 -10.285 -12.936 1.00 12.34 H new ATOM 0 HZ1 LYS A 148 9.653 -9.440 -13.021 1.00 12.59 H new ATOM 0 HZ2 LYS A 148 8.627 -8.447 -13.941 1.00 12.59 H new ATOM 0 HZ3 LYS A 148 9.154 -7.936 -12.409 1.00 12.59 H new