USER MOD reduce.3.24.130724 H: found=0, std=0, add=953, rem=0, adj=28 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 145 MET CE :methyl -155:sc= -2.02! (180deg=-4.56!) USER MOD Set 1.2: A 146 THR OG1 : rot 66:sc= 1.09 USER MOD Set 2.1: A 101 SER OG : rot 1:sc= 0.156 USER MOD Set 2.2: A 135 GLN : amide:sc= 0.072 K(o=0.23,f=-3.3!) USER MOD Set 3.1: A 36 MET CE :methyl -109:sc= -0.648 (180deg=-3.91!) USER MOD Set 3.2: A 72 MET CE :methyl 129:sc= -1.68 (180deg=-4.91!) USER MOD Set 4.1: A 26 THR OG1 : rot 151:sc= 1.25 USER MOD Set 4.2: 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+ -171:sc= 0 (180deg=-0.0595) USER MOD Single : A 17 SER OG : rot -31:sc= 0.169 USER MOD Single : A 28 THR OG1 : rot -144:sc= 0.155 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00912 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -170:sc= -0.152 USER MOD Single : A 38 SER OG : rot 108:sc= 1.22 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= -0.0318 X(o=-0.032,f=-0.032) USER MOD Single : A 44 THR OG1 : rot 171:sc= 1.34 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl -120:sc= -1.52 (180deg=-4.08!) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 70 THR OG1 : rot 2:sc= 0.993 USER MOD Single : A 71 MET CE :methyl -164:sc= -1.84 (180deg=-2.45) USER MOD Single : A 81 SER OG : rot 35:sc= 0.0625 USER MOD Single : A 94 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.024) USER MOD Single : A 97 ASN : amide:sc= -1.49! K(o=-1.5!,f=-0.64) USER MOD Single : A 99 TYR OH : rot 23:sc= -2.29! USER MOD Single : A 107 HIS : no HD1:sc= -0.786 K(o=-0.79,f=0.21) USER MOD Single : A 109 MET CE :methyl 140:sc= -3.14! (180deg=-6.29!) USER MOD Single : A 110 THR OG1 : rot 125:sc= 0.946 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 115 LYS NZ :NH3+ -177:sc= -2.33! (180deg=-2.52!) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl -118:sc= -4.75! (180deg=-8.34!) USER MOD Single : A 137 ASN : amide:sc= -0.943 K(o=-0.94,f=-6.4!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 MET CE :methyl -142:sc= -0.5 (180deg=-4.83!) USER MOD Single : A 148 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00137) USER MOD ----------------------------------------------------------------- ATOM 90 N GLU A 7 9.315 15.609 -7.027 1.00 3.51 N ATOM 91 CA GLU A 7 8.425 16.329 -7.946 1.00 3.59 C ATOM 92 C GLU A 7 6.945 16.026 -7.715 1.00 3.35 C ATOM 93 O GLU A 7 6.089 16.796 -8.160 1.00 3.38 O ATOM 94 CB GLU A 7 8.798 16.033 -9.402 1.00 3.93 C ATOM 95 CG GLU A 7 10.085 16.706 -9.858 1.00 4.45 C ATOM 96 CD GLU A 7 10.426 16.395 -11.302 1.00 5.14 C ATOM 97 OE1 GLU A 7 9.984 17.152 -12.192 1.00 5.54 O ATOM 98 OE2 GLU A 7 11.134 15.395 -11.543 1.00 5.58 O ATOM 0 HA GLU A 7 8.568 17.389 -7.738 1.00 3.59 H new ATOM 0 HB2 GLU A 7 8.898 14.955 -9.529 1.00 3.93 H new ATOM 0 HB3 GLU A 7 7.982 16.356 -10.049 1.00 3.93 H new ATOM 0 HG2 GLU A 7 9.990 17.785 -9.735 1.00 4.45 H new ATOM 0 HG3 GLU A 7 10.906 16.384 -9.217 1.00 4.45 H new ATOM 105 N GLN A 8 6.634 14.906 -7.040 1.00 3.16 N ATOM 106 CA GLN A 8 5.242 14.567 -6.734 1.00 2.96 C ATOM 107 C GLN A 8 4.658 15.618 -5.822 1.00 2.69 C ATOM 108 O GLN A 8 3.490 15.976 -5.943 1.00 2.63 O ATOM 109 CB GLN A 8 5.114 13.166 -6.124 1.00 2.87 C ATOM 110 CG GLN A 8 5.349 12.039 -7.119 1.00 3.23 C ATOM 111 CD GLN A 8 5.218 10.667 -6.487 1.00 3.13 C ATOM 112 OE1 GLN A 8 4.132 10.087 -6.455 1.00 3.27 O ATOM 113 NE2 GLN A 8 6.326 10.140 -5.981 1.00 3.29 N ATOM 0 H GLN A 8 7.320 14.231 -6.702 1.00 3.16 H new ATOM 0 HA GLN A 8 4.678 14.550 -7.667 1.00 2.96 H new ATOM 0 HB2 GLN A 8 5.827 13.070 -5.305 1.00 2.87 H new ATOM 0 HB3 GLN A 8 4.118 13.057 -5.694 1.00 2.87 H new ATOM 0 HG2 GLN A 8 4.635 12.127 -7.938 1.00 3.23 H new ATOM 0 HG3 GLN A 8 6.344 12.142 -7.551 1.00 3.23 H new ATOM 0 HE21 GLN A 8 7.204 10.656 -6.029 1.00 3.29 H new ATOM 0 HE22 GLN A 8 6.299 9.219 -5.544 1.00 3.29 H new ATOM 122 N ILE A 9 5.497 16.098 -4.910 1.00 2.59 N ATOM 123 CA ILE A 9 5.160 17.192 -4.024 1.00 2.41 C ATOM 124 C ILE A 9 4.793 18.409 -4.873 1.00 2.64 C ATOM 125 O ILE A 9 3.819 19.103 -4.583 1.00 2.55 O ATOM 126 CB ILE A 9 6.352 17.475 -3.087 1.00 2.42 C ATOM 127 CG1 ILE A 9 6.383 16.400 -2.004 1.00 2.20 C ATOM 128 CG2 ILE A 9 6.303 18.878 -2.502 1.00 2.45 C ATOM 129 CD1 ILE A 9 7.224 15.202 -2.381 1.00 2.35 C ATOM 0 H ILE A 9 6.438 15.731 -4.769 1.00 2.59 H new ATOM 0 HA ILE A 9 4.304 16.942 -3.398 1.00 2.41 H new ATOM 0 HB ILE A 9 7.278 17.434 -3.661 1.00 2.42 H new ATOM 0 HG12 ILE A 9 6.771 16.833 -1.082 1.00 2.20 H new ATOM 0 HG13 ILE A 9 5.364 16.071 -1.798 1.00 2.20 H new ATOM 0 HG21 ILE A 9 7.163 19.030 -1.849 1.00 2.45 H new ATOM 0 HG22 ILE A 9 6.326 19.610 -3.309 1.00 2.45 H new ATOM 0 HG23 ILE A 9 5.385 19.001 -1.928 1.00 2.45 H new ATOM 0 HD11 ILE A 9 7.205 14.474 -1.570 1.00 2.35 H new ATOM 0 HD12 ILE A 9 6.823 14.746 -3.286 1.00 2.35 H new ATOM 0 HD13 ILE A 9 8.251 15.520 -2.559 1.00 2.35 H new ATOM 141 N ALA A 10 5.603 18.653 -5.924 1.00 2.97 N ATOM 142 CA ALA A 10 5.325 19.721 -6.893 1.00 3.26 C ATOM 143 C ALA A 10 3.951 19.515 -7.526 1.00 3.27 C ATOM 144 O ALA A 10 3.295 20.477 -7.936 1.00 3.43 O ATOM 145 CB ALA A 10 6.413 19.792 -7.955 1.00 3.61 C ATOM 0 H ALA A 10 6.452 18.123 -6.119 1.00 2.97 H new ATOM 0 HA ALA A 10 5.320 20.674 -6.364 1.00 3.26 H new ATOM 0 HB1 ALA A 10 6.182 20.591 -8.659 1.00 3.61 H new ATOM 0 HB2 ALA A 10 7.373 19.993 -7.480 1.00 3.61 H new ATOM 0 HB3 ALA A 10 6.464 18.842 -8.488 1.00 3.61 H new ATOM 151 N GLU A 11 3.534 18.241 -7.598 1.00 3.14 N ATOM 152 CA GLU A 11 2.206 17.881 -8.104 1.00 3.18 C ATOM 153 C GLU A 11 1.187 18.001 -6.984 1.00 2.87 C ATOM 154 O GLU A 11 -0.008 18.195 -7.220 1.00 2.94 O ATOM 155 CB GLU A 11 2.186 16.448 -8.628 1.00 3.24 C ATOM 156 CG GLU A 11 3.114 16.182 -9.813 1.00 3.63 C ATOM 157 CD GLU A 11 2.540 16.662 -11.136 1.00 3.78 C ATOM 158 OE1 GLU A 11 1.846 15.868 -11.805 1.00 4.13 O ATOM 159 OE2 GLU A 11 2.785 17.832 -11.500 1.00 3.90 O ATOM 0 H GLU A 11 4.101 17.443 -7.311 1.00 3.14 H new ATOM 0 HA GLU A 11 1.961 18.560 -8.921 1.00 3.18 H new ATOM 0 HB2 GLU A 11 2.458 15.775 -7.814 1.00 3.24 H new ATOM 0 HB3 GLU A 11 1.166 16.198 -8.921 1.00 3.24 H new ATOM 0 HG2 GLU A 11 4.070 16.676 -9.637 1.00 3.63 H new ATOM 0 HG3 GLU A 11 3.315 15.113 -9.877 1.00 3.63 H new ATOM 166 N PHE A 12 1.692 17.854 -5.760 1.00 2.56 N ATOM 167 CA PHE A 12 0.881 17.958 -4.555 1.00 2.24 C ATOM 168 C PHE A 12 0.485 19.412 -4.270 1.00 2.30 C ATOM 169 O PHE A 12 -0.643 19.669 -3.839 1.00 2.22 O ATOM 170 CB PHE A 12 1.644 17.386 -3.351 1.00 1.94 C ATOM 171 CG PHE A 12 1.724 15.868 -3.277 1.00 1.85 C ATOM 172 CD1 PHE A 12 2.202 15.260 -2.123 1.00 2.28 C ATOM 173 CD2 PHE A 12 1.293 15.048 -4.322 1.00 2.07 C ATOM 174 CE1 PHE A 12 2.244 13.883 -2.009 1.00 2.34 C ATOM 175 CE2 PHE A 12 1.349 13.676 -4.209 1.00 2.03 C ATOM 176 CZ PHE A 12 1.814 13.091 -3.063 1.00 1.90 C ATOM 0 H PHE A 12 2.677 17.659 -5.579 1.00 2.56 H new ATOM 0 HA PHE A 12 -0.029 17.381 -4.718 1.00 2.24 H new ATOM 0 HB2 PHE A 12 2.659 17.784 -3.366 1.00 1.94 H new ATOM 0 HB3 PHE A 12 1.172 17.751 -2.439 1.00 1.94 H new ATOM 0 HD1 PHE A 12 2.546 15.872 -1.303 1.00 2.28 H new ATOM 0 HD2 PHE A 12 0.912 15.494 -5.229 1.00 2.07 H new ATOM 0 HE1 PHE A 12 2.611 13.425 -1.102 1.00 2.34 H new ATOM 0 HE2 PHE A 12 1.023 13.057 -5.032 1.00 2.03 H new ATOM 0 HZ PHE A 12 1.846 12.015 -2.979 1.00 1.90 H new ATOM 186 N LYS A 13 1.416 20.367 -4.511 1.00 2.51 N ATOM 187 CA LYS A 13 1.135 21.793 -4.261 1.00 2.67 C ATOM 188 C LYS A 13 0.292 22.434 -5.357 1.00 2.96 C ATOM 189 O LYS A 13 -0.360 23.444 -5.099 1.00 3.07 O ATOM 190 CB LYS A 13 2.409 22.625 -4.016 1.00 2.86 C ATOM 191 CG LYS A 13 3.624 22.251 -4.869 1.00 3.04 C ATOM 192 CD LYS A 13 4.821 21.846 -4.002 1.00 2.93 C ATOM 193 CE LYS A 13 5.552 23.049 -3.401 1.00 3.15 C ATOM 194 NZ LYS A 13 6.312 23.817 -4.428 1.00 3.58 N ATOM 0 H LYS A 13 2.351 20.176 -4.872 1.00 2.51 H new ATOM 0 HA LYS A 13 0.550 21.801 -3.341 1.00 2.67 H new ATOM 0 HB2 LYS A 13 2.174 23.675 -4.193 1.00 2.86 H new ATOM 0 HB3 LYS A 13 2.684 22.532 -2.965 1.00 2.86 H new ATOM 0 HG2 LYS A 13 3.362 21.429 -5.535 1.00 3.04 H new ATOM 0 HG3 LYS A 13 3.900 23.096 -5.499 1.00 3.04 H new ATOM 0 HD2 LYS A 13 4.477 21.196 -3.197 1.00 2.93 H new ATOM 0 HD3 LYS A 13 5.520 21.265 -4.604 1.00 2.93 H new ATOM 0 HE2 LYS A 13 4.829 23.707 -2.919 1.00 3.15 H new ATOM 0 HE3 LYS A 13 6.237 22.706 -2.626 1.00 3.15 H new ATOM 0 HZ1 LYS A 13 6.910 24.526 -3.959 1.00 3.58 H new ATOM 0 HZ2 LYS A 13 6.911 23.166 -4.975 1.00 3.58 H new ATOM 0 HZ3 LYS A 13 5.646 24.295 -5.068 1.00 3.58 H new ATOM 208 N GLU A 14 0.294 21.869 -6.577 1.00 3.12 N ATOM 209 CA GLU A 14 -0.539 22.429 -7.653 1.00 3.43 C ATOM 210 C GLU A 14 -2.028 22.138 -7.384 1.00 3.34 C ATOM 211 O GLU A 14 -2.908 22.868 -7.849 1.00 3.56 O ATOM 212 CB GLU A 14 -0.102 21.921 -9.049 1.00 3.67 C ATOM 213 CG GLU A 14 -0.053 20.402 -9.221 1.00 4.07 C ATOM 214 CD GLU A 14 -1.386 19.813 -9.646 1.00 4.36 C ATOM 215 OE1 GLU A 14 -2.115 19.302 -8.771 1.00 4.71 O ATOM 216 OE2 GLU A 14 -1.699 19.865 -10.854 1.00 4.52 O ATOM 0 H GLU A 14 0.845 21.051 -6.837 1.00 3.12 H new ATOM 0 HA GLU A 14 -0.397 23.510 -7.658 1.00 3.43 H new ATOM 0 HB2 GLU A 14 -0.785 22.330 -9.793 1.00 3.67 H new ATOM 0 HB3 GLU A 14 0.887 22.324 -9.268 1.00 3.67 H new ATOM 0 HG2 GLU A 14 0.704 20.150 -9.964 1.00 4.07 H new ATOM 0 HG3 GLU A 14 0.258 19.945 -8.282 1.00 4.07 H new ATOM 223 N ALA A 15 -2.280 21.056 -6.625 1.00 3.04 N ATOM 224 CA ALA A 15 -3.635 20.638 -6.261 1.00 2.97 C ATOM 225 C ALA A 15 -4.128 21.293 -4.974 1.00 2.76 C ATOM 226 O ALA A 15 -5.130 22.004 -4.987 1.00 2.91 O ATOM 227 CB ALA A 15 -3.709 19.112 -6.138 1.00 2.84 C ATOM 0 H ALA A 15 -1.548 20.452 -6.250 1.00 3.04 H new ATOM 0 HA ALA A 15 -4.293 20.972 -7.063 1.00 2.97 H new ATOM 0 HB1 ALA A 15 -4.723 18.818 -5.867 1.00 2.84 H new ATOM 0 HB2 ALA A 15 -3.442 18.657 -7.092 1.00 2.84 H new ATOM 0 HB3 ALA A 15 -3.015 18.775 -5.368 1.00 2.84 H new ATOM 233 N PHE A 16 -3.426 21.033 -3.860 1.00 2.45 N ATOM 234 CA PHE A 16 -3.781 21.590 -2.544 1.00 2.28 C ATOM 235 C PHE A 16 -4.025 23.093 -2.632 1.00 2.56 C ATOM 236 O PHE A 16 -4.971 23.618 -2.046 1.00 2.60 O ATOM 237 CB PHE A 16 -2.644 21.312 -1.556 1.00 2.02 C ATOM 238 CG PHE A 16 -2.940 21.605 -0.098 1.00 1.86 C ATOM 239 CD1 PHE A 16 -3.136 22.909 0.356 1.00 2.18 C ATOM 240 CD2 PHE A 16 -2.978 20.568 0.822 1.00 2.17 C ATOM 241 CE1 PHE A 16 -3.371 23.153 1.697 1.00 2.21 C ATOM 242 CE2 PHE A 16 -3.214 20.810 2.152 1.00 2.07 C ATOM 243 CZ PHE A 16 -3.412 22.097 2.592 1.00 1.79 C ATOM 0 H PHE A 16 -2.600 20.434 -3.845 1.00 2.45 H new ATOM 0 HA PHE A 16 -4.700 21.115 -2.202 1.00 2.28 H new ATOM 0 HB2 PHE A 16 -2.362 20.263 -1.645 1.00 2.02 H new ATOM 0 HB3 PHE A 16 -1.778 21.902 -1.855 1.00 2.02 H new ATOM 0 HD1 PHE A 16 -3.104 23.732 -0.343 1.00 2.18 H new ATOM 0 HD2 PHE A 16 -2.819 19.554 0.486 1.00 2.17 H new ATOM 0 HE1 PHE A 16 -3.522 24.164 2.045 1.00 2.21 H new ATOM 0 HE2 PHE A 16 -3.244 19.989 2.853 1.00 2.07 H new ATOM 0 HZ PHE A 16 -3.600 22.285 3.639 1.00 1.79 H new ATOM 253 N SER A 17 -3.164 23.762 -3.389 1.00 2.80 N ATOM 254 CA SER A 17 -3.233 25.192 -3.559 1.00 3.11 C ATOM 255 C SER A 17 -4.421 25.635 -4.402 1.00 3.36 C ATOM 256 O SER A 17 -4.805 26.808 -4.353 1.00 3.59 O ATOM 257 CB SER A 17 -1.933 25.720 -4.160 1.00 3.33 C ATOM 258 OG SER A 17 -1.887 27.139 -4.145 1.00 3.30 O ATOM 0 H SER A 17 -2.400 23.319 -3.900 1.00 2.80 H new ATOM 0 HA SER A 17 -3.376 25.617 -2.566 1.00 3.11 H new ATOM 0 HB2 SER A 17 -1.086 25.322 -3.601 1.00 3.33 H new ATOM 0 HB3 SER A 17 -1.835 25.363 -5.185 1.00 3.33 H new ATOM 0 HG SER A 17 -2.794 27.497 -4.240 1.00 3.30 H new ATOM 264 N LEU A 18 -5.003 24.714 -5.187 1.00 3.35 N ATOM 265 CA LEU A 18 -6.140 25.060 -6.019 1.00 3.63 C ATOM 266 C LEU A 18 -7.365 25.335 -5.153 1.00 3.56 C ATOM 267 O LEU A 18 -8.340 25.962 -5.579 1.00 3.81 O ATOM 268 CB LEU A 18 -6.385 23.975 -7.076 1.00 3.72 C ATOM 269 CG LEU A 18 -7.366 22.883 -6.682 1.00 3.54 C ATOM 270 CD1 LEU A 18 -8.784 23.235 -7.119 1.00 3.79 C ATOM 271 CD2 LEU A 18 -6.959 21.529 -7.243 1.00 3.53 C ATOM 0 H LEU A 18 -4.702 23.742 -5.255 1.00 3.35 H new ATOM 0 HA LEU A 18 -5.925 25.980 -6.563 1.00 3.63 H new ATOM 0 HB2 LEU A 18 -6.749 24.454 -7.985 1.00 3.72 H new ATOM 0 HB3 LEU A 18 -5.430 23.510 -7.321 1.00 3.72 H new ATOM 0 HG LEU A 18 -7.346 22.813 -5.594 1.00 3.54 H new ATOM 0 HD11 LEU A 18 -9.464 22.436 -6.824 1.00 3.79 H new ATOM 0 HD12 LEU A 18 -9.091 24.167 -6.644 1.00 3.79 H new ATOM 0 HD13 LEU A 18 -8.812 23.354 -8.202 1.00 3.79 H new ATOM 0 HD21 LEU A 18 -7.686 20.776 -6.939 1.00 3.53 H new ATOM 0 HD22 LEU A 18 -6.925 21.581 -8.331 1.00 3.53 H new ATOM 0 HD23 LEU A 18 -5.975 21.258 -6.862 1.00 3.53 H new ATOM 283 N PHE A 19 -7.261 24.838 -3.940 1.00 3.24 N ATOM 284 CA PHE A 19 -8.286 24.993 -2.918 1.00 3.16 C ATOM 285 C PHE A 19 -7.736 25.847 -1.775 1.00 3.11 C ATOM 286 O PHE A 19 -8.411 26.062 -0.765 1.00 3.07 O ATOM 287 CB PHE A 19 -8.701 23.624 -2.365 1.00 2.89 C ATOM 288 CG PHE A 19 -9.249 22.649 -3.382 1.00 3.01 C ATOM 289 CD1 PHE A 19 -8.511 21.533 -3.750 1.00 3.31 C ATOM 290 CD2 PHE A 19 -10.500 22.837 -3.957 1.00 3.27 C ATOM 291 CE1 PHE A 19 -9.007 20.627 -4.666 1.00 3.50 C ATOM 292 CE2 PHE A 19 -10.998 21.934 -4.877 1.00 3.41 C ATOM 293 CZ PHE A 19 -10.251 20.826 -5.231 1.00 3.37 C ATOM 0 H PHE A 19 -6.450 24.305 -3.626 1.00 3.24 H new ATOM 0 HA PHE A 19 -9.156 25.476 -3.363 1.00 3.16 H new ATOM 0 HB2 PHE A 19 -7.836 23.170 -1.882 1.00 2.89 H new ATOM 0 HB3 PHE A 19 -9.454 23.777 -1.592 1.00 2.89 H new ATOM 0 HD1 PHE A 19 -7.536 21.371 -3.314 1.00 3.31 H new ATOM 0 HD2 PHE A 19 -11.090 23.699 -3.682 1.00 3.27 H new ATOM 0 HE1 PHE A 19 -8.422 19.762 -4.941 1.00 3.50 H new ATOM 0 HE2 PHE A 19 -11.970 22.094 -5.319 1.00 3.41 H new ATOM 0 HZ PHE A 19 -10.640 20.118 -5.948 1.00 3.37 H new ATOM 303 N ALA A 20 -6.503 26.349 -1.966 1.00 3.18 N ATOM 304 CA ALA A 20 -5.791 27.158 -0.941 1.00 3.22 C ATOM 305 C ALA A 20 -6.587 28.359 -0.399 1.00 3.51 C ATOM 306 O ALA A 20 -7.025 29.226 -1.161 1.00 3.80 O ATOM 307 CB ALA A 20 -4.457 27.651 -1.485 1.00 3.38 C ATOM 0 H ALA A 20 -5.970 26.211 -2.825 1.00 3.18 H new ATOM 0 HA ALA A 20 -5.646 26.480 -0.100 1.00 3.22 H new ATOM 0 HB1 ALA A 20 -3.949 28.241 -0.722 1.00 3.38 H new ATOM 0 HB2 ALA A 20 -3.837 26.797 -1.756 1.00 3.38 H new ATOM 0 HB3 ALA A 20 -4.629 28.268 -2.367 1.00 3.38 H new ATOM 354 N ASP A 24 -3.815 30.132 7.142 1.00 3.98 N ATOM 355 CA ASP A 24 -2.487 29.488 7.239 1.00 3.89 C ATOM 356 C ASP A 24 -2.092 28.792 5.927 1.00 3.62 C ATOM 357 O ASP A 24 -0.944 28.369 5.755 1.00 3.56 O ATOM 358 CB ASP A 24 -2.471 28.476 8.389 1.00 3.77 C ATOM 359 CG ASP A 24 -2.485 29.144 9.752 1.00 4.13 C ATOM 360 OD1 ASP A 24 -1.396 29.321 10.337 1.00 4.50 O ATOM 361 OD2 ASP A 24 -3.585 29.491 10.232 1.00 4.32 O ATOM 0 HA ASP A 24 -1.757 30.273 7.434 1.00 3.89 H new ATOM 0 HB2 ASP A 24 -3.336 27.818 8.302 1.00 3.77 H new ATOM 0 HB3 ASP A 24 -1.583 27.849 8.304 1.00 3.77 H new ATOM 366 N GLY A 25 -3.066 28.691 5.016 1.00 3.50 N ATOM 367 CA GLY A 25 -2.857 28.077 3.712 1.00 3.30 C ATOM 368 C GLY A 25 -3.197 26.620 3.773 1.00 2.90 C ATOM 369 O GLY A 25 -2.381 25.749 3.458 1.00 2.69 O ATOM 0 H GLY A 25 -4.015 29.033 5.166 1.00 3.50 H new ATOM 0 HA2 GLY A 25 -3.476 28.572 2.964 1.00 3.30 H new ATOM 0 HA3 GLY A 25 -1.820 28.204 3.403 1.00 3.30 H new ATOM 373 N THR A 26 -4.438 26.386 4.190 1.00 2.85 N ATOM 374 CA THR A 26 -4.964 25.053 4.372 1.00 2.53 C ATOM 375 C THR A 26 -6.080 24.727 3.380 1.00 2.45 C ATOM 376 O THR A 26 -6.431 25.557 2.539 1.00 2.66 O ATOM 377 CB THR A 26 -5.507 24.879 5.797 1.00 2.59 C ATOM 378 OG1 THR A 26 -6.593 25.779 6.053 1.00 2.84 O ATOM 379 CG2 THR A 26 -4.409 25.103 6.789 1.00 2.74 C ATOM 0 H THR A 26 -5.104 27.126 4.410 1.00 2.85 H new ATOM 0 HA THR A 26 -4.136 24.367 4.196 1.00 2.53 H new ATOM 0 HB THR A 26 -5.884 23.861 5.896 1.00 2.59 H new ATOM 0 HG1 THR A 26 -7.204 25.377 6.706 1.00 2.84 H new ATOM 0 HG21 THR A 26 -4.800 24.978 7.799 1.00 2.74 H new ATOM 0 HG22 THR A 26 -3.611 24.381 6.617 1.00 2.74 H new ATOM 0 HG23 THR A 26 -4.016 26.113 6.674 1.00 2.74 H new ATOM 387 N ILE A 27 -6.629 23.503 3.494 1.00 2.21 N ATOM 388 CA ILE A 27 -7.734 23.042 2.631 1.00 2.22 C ATOM 389 C ILE A 27 -8.617 22.074 3.419 1.00 2.15 C ATOM 390 O ILE A 27 -8.419 21.897 4.613 1.00 2.13 O ATOM 391 CB ILE A 27 -7.273 22.388 1.285 1.00 2.13 C ATOM 392 CG1 ILE A 27 -6.473 21.100 1.541 1.00 1.82 C ATOM 393 CG2 ILE A 27 -6.497 23.391 0.430 1.00 2.31 C ATOM 394 CD1 ILE A 27 -6.269 20.247 0.305 1.00 1.79 C ATOM 0 H ILE A 27 -6.323 22.812 4.179 1.00 2.21 H new ATOM 0 HA ILE A 27 -8.294 23.931 2.341 1.00 2.22 H new ATOM 0 HB ILE A 27 -8.160 22.103 0.720 1.00 2.13 H new ATOM 0 HG12 ILE A 27 -5.499 21.365 1.952 1.00 1.82 H new ATOM 0 HG13 ILE A 27 -6.988 20.508 2.298 1.00 1.82 H new ATOM 0 HG21 ILE A 27 -6.187 22.914 -0.500 1.00 2.31 H new ATOM 0 HG22 ILE A 27 -7.134 24.246 0.204 1.00 2.31 H new ATOM 0 HG23 ILE A 27 -5.616 23.729 0.975 1.00 2.31 H new ATOM 0 HD11 ILE A 27 -5.697 19.357 0.567 1.00 1.79 H new ATOM 0 HD12 ILE A 27 -7.238 19.950 -0.096 1.00 1.79 H new ATOM 0 HD13 ILE A 27 -5.725 20.820 -0.447 1.00 1.79 H new ATOM 406 N THR A 28 -9.601 21.482 2.760 1.00 2.23 N ATOM 407 CA THR A 28 -10.499 20.535 3.420 1.00 2.29 C ATOM 408 C THR A 28 -10.126 19.106 3.020 1.00 2.17 C ATOM 409 O THR A 28 -9.112 18.893 2.345 1.00 2.04 O ATOM 410 CB THR A 28 -11.997 20.835 3.123 1.00 2.57 C ATOM 411 OG1 THR A 28 -12.301 20.578 1.746 1.00 2.86 O ATOM 412 CG2 THR A 28 -12.362 22.280 3.459 1.00 3.10 C ATOM 0 H THR A 28 -9.801 21.637 1.772 1.00 2.23 H new ATOM 0 HA THR A 28 -10.374 20.647 4.497 1.00 2.29 H new ATOM 0 HB THR A 28 -12.587 20.173 3.757 1.00 2.57 H new ATOM 0 HG1 THR A 28 -12.948 21.240 1.425 1.00 2.86 H new ATOM 0 HG21 THR A 28 -13.416 22.450 3.238 1.00 3.10 H new ATOM 0 HG22 THR A 28 -12.179 22.465 4.518 1.00 3.10 H new ATOM 0 HG23 THR A 28 -11.752 22.958 2.862 1.00 3.10 H new ATOM 420 N THR A 29 -10.941 18.135 3.431 1.00 2.30 N ATOM 421 CA THR A 29 -10.647 16.728 3.173 1.00 2.30 C ATOM 422 C THR A 29 -11.168 16.186 1.845 1.00 2.50 C ATOM 423 O THR A 29 -10.419 15.536 1.111 1.00 2.44 O ATOM 424 CB THR A 29 -11.148 15.851 4.303 1.00 2.48 C ATOM 425 OG1 THR A 29 -12.491 16.199 4.667 1.00 2.75 O ATOM 426 CG2 THR A 29 -10.215 16.011 5.481 1.00 2.32 C ATOM 0 H THR A 29 -11.808 18.298 3.943 1.00 2.30 H new ATOM 0 HA THR A 29 -9.560 16.691 3.108 1.00 2.30 H new ATOM 0 HB THR A 29 -11.161 14.810 3.980 1.00 2.48 H new ATOM 0 HG1 THR A 29 -12.793 15.619 5.397 1.00 2.75 H new ATOM 0 HG21 THR A 29 -10.560 15.387 6.305 1.00 2.32 H new ATOM 0 HG22 THR A 29 -9.209 15.708 5.192 1.00 2.32 H new ATOM 0 HG23 THR A 29 -10.203 17.054 5.796 1.00 2.32 H new ATOM 434 N LYS A 30 -12.449 16.429 1.546 1.00 2.77 N ATOM 435 CA LYS A 30 -13.075 15.946 0.298 1.00 3.04 C ATOM 436 C LYS A 30 -12.272 16.347 -0.949 1.00 2.98 C ATOM 437 O LYS A 30 -12.146 15.563 -1.894 1.00 3.14 O ATOM 438 CB LYS A 30 -14.509 16.475 0.186 1.00 3.33 C ATOM 439 CG LYS A 30 -15.481 15.830 1.166 1.00 3.42 C ATOM 440 CD LYS A 30 -16.329 16.874 1.872 1.00 3.38 C ATOM 441 CE LYS A 30 -17.307 16.234 2.844 1.00 3.68 C ATOM 442 NZ LYS A 30 -18.142 17.250 3.541 1.00 3.70 N ATOM 0 H LYS A 30 -13.079 16.958 2.149 1.00 2.77 H new ATOM 0 HA LYS A 30 -13.087 14.857 0.345 1.00 3.04 H new ATOM 0 HB2 LYS A 30 -14.503 17.552 0.351 1.00 3.33 H new ATOM 0 HB3 LYS A 30 -14.869 16.310 -0.830 1.00 3.33 H new ATOM 0 HG2 LYS A 30 -16.128 15.133 0.634 1.00 3.42 H new ATOM 0 HG3 LYS A 30 -14.926 15.250 1.903 1.00 3.42 H new ATOM 0 HD2 LYS A 30 -15.682 17.567 2.409 1.00 3.38 H new ATOM 0 HD3 LYS A 30 -16.878 17.458 1.134 1.00 3.38 H new ATOM 0 HE2 LYS A 30 -17.953 15.541 2.305 1.00 3.68 H new ATOM 0 HE3 LYS A 30 -16.756 15.649 3.581 1.00 3.68 H new ATOM 0 HZ1 LYS A 30 -18.795 16.773 4.195 1.00 3.70 H new ATOM 0 HZ2 LYS A 30 -17.528 17.896 4.076 1.00 3.70 H new ATOM 0 HZ3 LYS A 30 -18.687 17.791 2.840 1.00 3.70 H new ATOM 456 N GLU A 31 -11.738 17.572 -0.928 1.00 2.81 N ATOM 457 CA GLU A 31 -10.945 18.111 -2.039 1.00 2.81 C ATOM 458 C GLU A 31 -9.444 17.807 -1.921 1.00 2.52 C ATOM 459 O GLU A 31 -8.711 18.008 -2.896 1.00 2.57 O ATOM 460 CB GLU A 31 -11.162 19.628 -2.152 1.00 2.89 C ATOM 461 CG GLU A 31 -12.570 20.032 -2.584 1.00 3.24 C ATOM 462 CD GLU A 31 -13.559 20.065 -1.432 1.00 3.22 C ATOM 463 OE1 GLU A 31 -14.383 19.132 -1.331 1.00 3.26 O ATOM 464 OE2 GLU A 31 -13.507 21.023 -0.633 1.00 3.60 O ATOM 0 H GLU A 31 -11.842 18.216 -0.144 1.00 2.81 H new ATOM 0 HA GLU A 31 -11.296 17.610 -2.941 1.00 2.81 H new ATOM 0 HB2 GLU A 31 -10.945 20.087 -1.187 1.00 2.89 H new ATOM 0 HB3 GLU A 31 -10.445 20.033 -2.866 1.00 2.89 H new ATOM 0 HG2 GLU A 31 -12.532 21.016 -3.051 1.00 3.24 H new ATOM 0 HG3 GLU A 31 -12.926 19.333 -3.341 1.00 3.24 H new ATOM 471 N LEU A 32 -8.968 17.321 -0.750 1.00 2.26 N ATOM 472 CA LEU A 32 -7.530 17.033 -0.594 1.00 1.98 C ATOM 473 C LEU A 32 -7.109 15.765 -1.300 1.00 2.07 C ATOM 474 O LEU A 32 -6.003 15.686 -1.822 1.00 1.98 O ATOM 475 CB LEU A 32 -7.060 17.019 0.859 1.00 1.69 C ATOM 476 CG LEU A 32 -7.652 16.023 1.859 1.00 1.74 C ATOM 477 CD1 LEU A 32 -7.075 14.617 1.734 1.00 1.76 C ATOM 478 CD2 LEU A 32 -7.319 16.559 3.208 1.00 1.59 C ATOM 0 H LEU A 32 -9.539 17.127 0.072 1.00 2.26 H new ATOM 0 HA LEU A 32 -7.031 17.871 -1.080 1.00 1.98 H new ATOM 0 HB2 LEU A 32 -5.982 16.859 0.846 1.00 1.69 H new ATOM 0 HB3 LEU A 32 -7.230 18.018 1.261 1.00 1.69 H new ATOM 0 HG LEU A 32 -8.722 15.927 1.675 1.00 1.74 H new ATOM 0 HD11 LEU A 32 -7.541 13.966 2.473 1.00 1.76 H new ATOM 0 HD12 LEU A 32 -7.272 14.230 0.734 1.00 1.76 H new ATOM 0 HD13 LEU A 32 -5.999 14.649 1.905 1.00 1.76 H new ATOM 0 HD21 LEU A 32 -7.715 15.891 3.973 1.00 1.59 H new ATOM 0 HD22 LEU A 32 -6.237 16.630 3.314 1.00 1.59 H new ATOM 0 HD23 LEU A 32 -7.761 17.548 3.326 1.00 1.59 H new ATOM 490 N GLY A 33 -7.973 14.758 -1.272 1.00 2.31 N ATOM 491 CA GLY A 33 -7.688 13.525 -1.994 1.00 2.52 C ATOM 492 C GLY A 33 -7.641 13.784 -3.471 1.00 2.75 C ATOM 493 O GLY A 33 -7.121 12.979 -4.233 1.00 2.91 O ATOM 0 H GLY A 33 -8.860 14.768 -0.768 1.00 2.31 H new ATOM 0 HA2 GLY A 33 -6.736 13.112 -1.660 1.00 2.52 H new ATOM 0 HA3 GLY A 33 -8.453 12.781 -1.773 1.00 2.52 H new ATOM 497 N THR A 34 -8.234 14.922 -3.861 1.00 2.81 N ATOM 498 CA THR A 34 -8.218 15.380 -5.236 1.00 3.07 C ATOM 499 C THR A 34 -6.799 15.779 -5.587 1.00 2.93 C ATOM 500 O THR A 34 -6.416 15.909 -6.752 1.00 3.16 O ATOM 501 CB THR A 34 -9.234 16.521 -5.512 1.00 3.23 C ATOM 502 OG1 THR A 34 -10.453 16.270 -4.800 1.00 3.30 O ATOM 503 CG2 THR A 34 -9.548 16.648 -7.001 1.00 3.60 C ATOM 0 H THR A 34 -8.735 15.542 -3.224 1.00 2.81 H new ATOM 0 HA THR A 34 -8.542 14.564 -5.881 1.00 3.07 H new ATOM 0 HB THR A 34 -8.782 17.453 -5.173 1.00 3.23 H new ATOM 0 HG1 THR A 34 -11.141 16.901 -5.097 1.00 3.30 H new ATOM 0 HG21 THR A 34 -10.262 17.457 -7.154 1.00 3.60 H new ATOM 0 HG22 THR A 34 -8.631 16.865 -7.549 1.00 3.60 H new ATOM 0 HG23 THR A 34 -9.975 15.713 -7.364 1.00 3.60 H new ATOM 511 N VAL A 35 -6.056 15.966 -4.512 1.00 2.56 N ATOM 512 CA VAL A 35 -4.626 16.237 -4.562 1.00 2.39 C ATOM 513 C VAL A 35 -3.967 14.902 -4.802 1.00 2.44 C ATOM 514 O VAL A 35 -3.008 14.817 -5.563 1.00 2.53 O ATOM 515 CB VAL A 35 -3.995 16.821 -3.247 1.00 2.01 C ATOM 516 CG1 VAL A 35 -2.469 16.882 -3.339 1.00 1.92 C ATOM 517 CG2 VAL A 35 -4.507 18.201 -2.904 1.00 2.02 C ATOM 0 H VAL A 35 -6.432 15.934 -3.564 1.00 2.56 H new ATOM 0 HA VAL A 35 -4.471 16.993 -5.332 1.00 2.39 H new ATOM 0 HB VAL A 35 -4.298 16.135 -2.456 1.00 2.01 H new ATOM 0 HG11 VAL A 35 -2.065 17.291 -2.413 1.00 1.92 H new ATOM 0 HG12 VAL A 35 -2.074 15.878 -3.496 1.00 1.92 H new ATOM 0 HG13 VAL A 35 -2.180 17.520 -4.174 1.00 1.92 H new ATOM 0 HG21 VAL A 35 -4.033 18.547 -1.986 1.00 2.02 H new ATOM 0 HG22 VAL A 35 -4.271 18.889 -3.716 1.00 2.02 H new ATOM 0 HG23 VAL A 35 -5.587 18.164 -2.762 1.00 2.02 H new ATOM 527 N MET A 36 -4.506 13.848 -4.144 1.00 2.44 N ATOM 528 CA MET A 36 -3.921 12.531 -4.281 1.00 2.55 C ATOM 529 C MET A 36 -4.390 11.806 -5.543 1.00 2.97 C ATOM 530 O MET A 36 -3.585 11.161 -6.221 1.00 3.11 O ATOM 531 CB MET A 36 -4.207 11.640 -3.067 1.00 2.49 C ATOM 532 CG MET A 36 -3.793 12.234 -1.727 1.00 2.24 C ATOM 533 SD MET A 36 -3.886 11.045 -0.375 1.00 2.48 S ATOM 534 CE MET A 36 -3.378 12.064 1.008 1.00 1.96 C ATOM 0 H MET A 36 -5.322 13.899 -3.534 1.00 2.44 H new ATOM 0 HA MET A 36 -2.848 12.705 -4.354 1.00 2.55 H new ATOM 0 HB2 MET A 36 -5.275 11.422 -3.038 1.00 2.49 H new ATOM 0 HB3 MET A 36 -3.691 10.689 -3.202 1.00 2.49 H new ATOM 0 HG2 MET A 36 -2.774 12.612 -1.802 1.00 2.24 H new ATOM 0 HG3 MET A 36 -4.433 13.086 -1.500 1.00 2.24 H new ATOM 0 HE1 MET A 36 -2.385 11.760 1.339 1.00 1.96 H new ATOM 0 HE2 MET A 36 -3.354 13.109 0.700 1.00 1.96 H new ATOM 0 HE3 MET A 36 -4.086 11.944 1.828 1.00 1.96 H new ATOM 544 N ARG A 37 -5.692 11.940 -5.873 1.00 3.18 N ATOM 545 CA ARG A 37 -6.300 11.241 -6.989 1.00 3.60 C ATOM 546 C ARG A 37 -5.755 11.715 -8.354 1.00 3.77 C ATOM 547 O ARG A 37 -5.887 11.013 -9.362 1.00 4.10 O ATOM 548 CB ARG A 37 -7.833 11.418 -6.857 1.00 3.78 C ATOM 549 CG ARG A 37 -8.590 11.691 -8.146 1.00 4.18 C ATOM 550 CD ARG A 37 -8.851 10.410 -8.926 1.00 4.52 C ATOM 551 NE ARG A 37 -9.343 10.680 -10.281 1.00 4.90 N ATOM 552 CZ ARG A 37 -9.703 9.737 -11.165 1.00 5.36 C ATOM 553 NH1 ARG A 37 -9.635 8.443 -10.858 1.00 5.45 N ATOM 554 NH2 ARG A 37 -10.135 10.096 -12.366 1.00 5.91 N ATOM 0 H ARG A 37 -6.339 12.541 -5.362 1.00 3.18 H new ATOM 0 HA ARG A 37 -6.045 10.182 -6.955 1.00 3.60 H new ATOM 0 HB2 ARG A 37 -8.244 10.517 -6.403 1.00 3.78 H new ATOM 0 HB3 ARG A 37 -8.025 12.239 -6.166 1.00 3.78 H new ATOM 0 HG2 ARG A 37 -9.538 12.177 -7.916 1.00 4.18 H new ATOM 0 HG3 ARG A 37 -8.019 12.384 -8.764 1.00 4.18 H new ATOM 0 HD2 ARG A 37 -7.931 9.828 -8.984 1.00 4.52 H new ATOM 0 HD3 ARG A 37 -9.580 9.802 -8.390 1.00 4.52 H new ATOM 0 HE ARG A 37 -9.417 11.655 -10.572 1.00 4.90 H new ATOM 0 HH11 ARG A 37 -9.305 8.154 -9.937 1.00 5.45 H new ATOM 0 HH12 ARG A 37 -9.913 7.741 -11.544 1.00 5.45 H new ATOM 0 HH21 ARG A 37 -10.192 11.084 -12.613 1.00 5.91 H new ATOM 0 HH22 ARG A 37 -10.410 9.384 -13.043 1.00 5.91 H new ATOM 568 N SER A 38 -5.135 12.895 -8.356 1.00 3.57 N ATOM 569 CA SER A 38 -4.573 13.497 -9.574 1.00 3.76 C ATOM 570 C SER A 38 -3.243 12.855 -9.997 1.00 3.81 C ATOM 571 O SER A 38 -2.785 13.071 -11.124 1.00 4.08 O ATOM 572 CB SER A 38 -4.377 15.001 -9.373 1.00 3.59 C ATOM 573 OG SER A 38 -5.622 15.671 -9.290 1.00 3.89 O ATOM 0 H SER A 38 -5.006 13.462 -7.518 1.00 3.57 H new ATOM 0 HA SER A 38 -5.289 13.315 -10.375 1.00 3.76 H new ATOM 0 HB2 SER A 38 -3.804 15.178 -8.463 1.00 3.59 H new ATOM 0 HB3 SER A 38 -3.796 15.409 -10.200 1.00 3.59 H new ATOM 0 HG SER A 38 -5.779 15.957 -8.366 1.00 3.89 H new ATOM 579 N LEU A 39 -2.632 12.068 -9.100 1.00 3.59 N ATOM 580 CA LEU A 39 -1.356 11.407 -9.403 1.00 3.65 C ATOM 581 C LEU A 39 -1.550 9.927 -9.749 1.00 3.91 C ATOM 582 O LEU A 39 -0.608 9.254 -10.181 1.00 4.06 O ATOM 583 CB LEU A 39 -0.365 11.550 -8.244 1.00 3.29 C ATOM 584 CG LEU A 39 -0.149 12.981 -7.773 1.00 3.06 C ATOM 585 CD1 LEU A 39 -0.934 13.216 -6.509 1.00 2.78 C ATOM 586 CD2 LEU A 39 1.319 13.282 -7.563 1.00 3.19 C ATOM 0 H LEU A 39 -2.997 11.875 -8.167 1.00 3.59 H new ATOM 0 HA LEU A 39 -0.942 11.908 -10.278 1.00 3.65 H new ATOM 0 HB2 LEU A 39 -0.720 10.954 -7.403 1.00 3.29 H new ATOM 0 HB3 LEU A 39 0.594 11.132 -8.549 1.00 3.29 H new ATOM 0 HG LEU A 39 -0.505 13.660 -8.548 1.00 3.06 H new ATOM 0 HD11 LEU A 39 -0.780 14.241 -6.170 1.00 2.78 H new ATOM 0 HD12 LEU A 39 -1.994 13.053 -6.704 1.00 2.78 H new ATOM 0 HD13 LEU A 39 -0.596 12.524 -5.737 1.00 2.78 H new ATOM 0 HD21 LEU A 39 1.435 14.312 -7.227 1.00 3.19 H new ATOM 0 HD22 LEU A 39 1.725 12.607 -6.810 1.00 3.19 H new ATOM 0 HD23 LEU A 39 1.857 13.144 -8.501 1.00 3.19 H new ATOM 598 N GLY A 40 -2.781 9.437 -9.564 1.00 4.01 N ATOM 599 CA GLY A 40 -3.101 8.043 -9.846 1.00 4.30 C ATOM 600 C GLY A 40 -3.225 7.205 -8.584 1.00 4.16 C ATOM 601 O GLY A 40 -3.024 5.987 -8.623 1.00 4.36 O ATOM 0 H GLY A 40 -3.567 9.988 -9.221 1.00 4.01 H new ATOM 0 HA2 GLY A 40 -4.036 7.994 -10.403 1.00 4.30 H new ATOM 0 HA3 GLY A 40 -2.327 7.618 -10.485 1.00 4.30 H new ATOM 605 N GLN A 41 -3.556 7.866 -7.463 1.00 3.86 N ATOM 606 CA GLN A 41 -3.712 7.208 -6.164 1.00 3.74 C ATOM 607 C GLN A 41 -4.730 7.993 -5.338 1.00 3.60 C ATOM 608 O GLN A 41 -4.493 9.148 -5.001 1.00 3.46 O ATOM 609 CB GLN A 41 -2.343 7.160 -5.442 1.00 3.47 C ATOM 610 CG GLN A 41 -2.282 6.265 -4.204 1.00 3.68 C ATOM 611 CD GLN A 41 -2.168 4.789 -4.544 1.00 3.94 C ATOM 612 OE1 GLN A 41 -3.174 4.092 -4.679 1.00 4.34 O ATOM 613 NE2 GLN A 41 -0.939 4.308 -4.686 1.00 4.15 N ATOM 0 H GLN A 41 -3.722 8.872 -7.436 1.00 3.86 H new ATOM 0 HA GLN A 41 -4.068 6.186 -6.295 1.00 3.74 H new ATOM 0 HB2 GLN A 41 -1.589 6.820 -6.152 1.00 3.47 H new ATOM 0 HB3 GLN A 41 -2.071 8.174 -5.149 1.00 3.47 H new ATOM 0 HG2 GLN A 41 -1.429 6.558 -3.592 1.00 3.68 H new ATOM 0 HG3 GLN A 41 -3.176 6.426 -3.602 1.00 3.68 H new ATOM 0 HE21 GLN A 41 -0.134 4.922 -4.565 1.00 4.15 H new ATOM 0 HE22 GLN A 41 -0.800 3.324 -4.916 1.00 4.15 H new ATOM 622 N ASN A 42 -5.841 7.355 -4.983 1.00 3.76 N ATOM 623 CA ASN A 42 -6.878 8.024 -4.219 1.00 3.68 C ATOM 624 C ASN A 42 -6.902 7.534 -2.750 1.00 3.53 C ATOM 625 O ASN A 42 -6.576 6.370 -2.498 1.00 3.67 O ATOM 626 CB ASN A 42 -8.259 7.828 -4.879 1.00 4.06 C ATOM 627 CG ASN A 42 -8.630 6.367 -5.113 1.00 4.60 C ATOM 628 OD1 ASN A 42 -8.333 5.799 -6.164 1.00 4.82 O ATOM 629 ND2 ASN A 42 -9.283 5.757 -4.130 1.00 5.19 N ATOM 0 H ASN A 42 -6.042 6.382 -5.212 1.00 3.76 H new ATOM 0 HA ASN A 42 -6.647 9.089 -4.212 1.00 3.68 H new ATOM 0 HB2 ASN A 42 -9.020 8.290 -4.250 1.00 4.06 H new ATOM 0 HB3 ASN A 42 -8.272 8.354 -5.834 1.00 4.06 H new ATOM 0 HD21 ASN A 42 -9.558 4.780 -4.230 1.00 5.19 H new ATOM 0 HD22 ASN A 42 -9.509 6.266 -3.275 1.00 5.19 H new ATOM 636 N PRO A 43 -7.285 8.400 -1.757 1.00 3.30 N ATOM 637 CA PRO A 43 -7.346 8.013 -0.336 1.00 3.22 C ATOM 638 C PRO A 43 -8.709 7.422 0.064 1.00 3.54 C ATOM 639 O PRO A 43 -9.649 7.426 -0.737 1.00 3.81 O ATOM 640 CB PRO A 43 -7.101 9.344 0.401 1.00 2.89 C ATOM 641 CG PRO A 43 -7.107 10.425 -0.643 1.00 2.92 C ATOM 642 CD PRO A 43 -7.664 9.819 -1.902 1.00 3.17 C ATOM 0 HA PRO A 43 -6.624 7.232 -0.098 1.00 3.22 H new ATOM 0 HB2 PRO A 43 -7.876 9.522 1.146 1.00 2.89 H new ATOM 0 HB3 PRO A 43 -6.149 9.323 0.931 1.00 2.89 H new ATOM 0 HG2 PRO A 43 -7.716 11.270 -0.320 1.00 2.92 H new ATOM 0 HG3 PRO A 43 -6.099 10.804 -0.811 1.00 2.92 H new ATOM 0 HD2 PRO A 43 -8.744 9.947 -1.973 1.00 3.17 H new ATOM 0 HD3 PRO A 43 -7.231 10.267 -2.796 1.00 3.17 H new ATOM 650 N THR A 44 -8.803 6.915 1.309 1.00 3.56 N ATOM 651 CA THR A 44 -10.049 6.328 1.832 1.00 3.90 C ATOM 652 C THR A 44 -11.053 7.430 2.213 1.00 3.85 C ATOM 653 O THR A 44 -10.684 8.602 2.303 1.00 3.54 O ATOM 654 CB THR A 44 -9.785 5.420 3.060 1.00 4.01 C ATOM 655 OG1 THR A 44 -8.431 4.946 3.054 1.00 3.86 O ATOM 656 CG2 THR A 44 -10.732 4.225 3.068 1.00 4.50 C ATOM 0 H THR A 44 -8.028 6.901 1.972 1.00 3.56 H new ATOM 0 HA THR A 44 -10.471 5.714 1.037 1.00 3.90 H new ATOM 0 HB THR A 44 -9.957 6.018 3.955 1.00 4.01 H new ATOM 0 HG1 THR A 44 -8.236 4.503 3.906 1.00 3.86 H new ATOM 0 HG21 THR A 44 -10.526 3.604 3.940 1.00 4.50 H new ATOM 0 HG22 THR A 44 -11.763 4.578 3.109 1.00 4.50 H new ATOM 0 HG23 THR A 44 -10.585 3.638 2.161 1.00 4.50 H new ATOM 664 N GLU A 45 -12.317 7.040 2.432 1.00 4.21 N ATOM 665 CA GLU A 45 -13.392 7.988 2.774 1.00 4.27 C ATOM 666 C GLU A 45 -13.395 8.407 4.252 1.00 4.16 C ATOM 667 O GLU A 45 -13.656 9.573 4.561 1.00 4.02 O ATOM 668 CB GLU A 45 -14.756 7.389 2.412 1.00 4.73 C ATOM 669 CG GLU A 45 -15.039 7.360 0.917 1.00 4.87 C ATOM 670 CD GLU A 45 -16.396 6.766 0.593 1.00 5.41 C ATOM 671 OE1 GLU A 45 -16.475 5.535 0.401 1.00 5.67 O ATOM 672 OE2 GLU A 45 -17.380 7.534 0.531 1.00 5.89 O ATOM 0 H GLU A 45 -12.623 6.068 2.378 1.00 4.21 H new ATOM 0 HA GLU A 45 -13.200 8.888 2.190 1.00 4.27 H new ATOM 0 HB2 GLU A 45 -14.811 6.373 2.802 1.00 4.73 H new ATOM 0 HB3 GLU A 45 -15.538 7.964 2.909 1.00 4.73 H new ATOM 0 HG2 GLU A 45 -14.986 8.374 0.521 1.00 4.87 H new ATOM 0 HG3 GLU A 45 -14.264 6.781 0.415 1.00 4.87 H new ATOM 679 N ALA A 46 -13.106 7.460 5.154 1.00 4.29 N ATOM 680 CA ALA A 46 -13.116 7.730 6.601 1.00 4.30 C ATOM 681 C ALA A 46 -11.764 8.199 7.144 1.00 3.96 C ATOM 682 O ALA A 46 -11.721 8.974 8.104 1.00 3.93 O ATOM 683 CB ALA A 46 -13.564 6.491 7.358 1.00 4.70 C ATOM 0 H ALA A 46 -12.862 6.500 4.909 1.00 4.29 H new ATOM 0 HA ALA A 46 -13.819 8.548 6.755 1.00 4.30 H new ATOM 0 HB1 ALA A 46 -13.568 6.700 8.428 1.00 4.70 H new ATOM 0 HB2 ALA A 46 -14.568 6.213 7.039 1.00 4.70 H new ATOM 0 HB3 ALA A 46 -12.877 5.670 7.151 1.00 4.70 H new ATOM 689 N GLU A 47 -10.668 7.731 6.532 1.00 3.76 N ATOM 690 CA GLU A 47 -9.310 8.075 6.974 1.00 3.47 C ATOM 691 C GLU A 47 -8.953 9.545 6.768 1.00 3.09 C ATOM 692 O GLU A 47 -8.070 10.062 7.455 1.00 2.91 O ATOM 693 CB GLU A 47 -8.280 7.160 6.302 1.00 3.43 C ATOM 694 CG GLU A 47 -8.280 5.736 6.840 1.00 3.78 C ATOM 695 CD GLU A 47 -7.181 4.883 6.237 1.00 3.77 C ATOM 696 OE1 GLU A 47 -6.005 5.079 6.610 1.00 3.72 O ATOM 697 OE2 GLU A 47 -7.496 4.016 5.396 1.00 4.19 O ATOM 0 H GLU A 47 -10.696 7.109 5.724 1.00 3.76 H new ATOM 0 HA GLU A 47 -9.287 7.913 8.052 1.00 3.47 H new ATOM 0 HB2 GLU A 47 -8.476 7.134 5.230 1.00 3.43 H new ATOM 0 HB3 GLU A 47 -7.286 7.588 6.434 1.00 3.43 H new ATOM 0 HG2 GLU A 47 -8.162 5.761 7.923 1.00 3.78 H new ATOM 0 HG3 GLU A 47 -9.246 5.275 6.635 1.00 3.78 H new ATOM 704 N LEU A 48 -9.629 10.219 5.828 1.00 3.03 N ATOM 705 CA LEU A 48 -9.402 11.657 5.592 1.00 2.71 C ATOM 706 C LEU A 48 -9.743 12.461 6.840 1.00 2.75 C ATOM 707 O LEU A 48 -9.249 13.564 7.035 1.00 2.53 O ATOM 708 CB LEU A 48 -10.266 12.202 4.460 1.00 2.77 C ATOM 709 CG LEU A 48 -10.305 11.390 3.176 1.00 2.90 C ATOM 710 CD1 LEU A 48 -11.675 11.489 2.520 1.00 3.19 C ATOM 711 CD2 LEU A 48 -9.232 11.896 2.246 1.00 2.63 C ATOM 0 H LEU A 48 -10.333 9.799 5.221 1.00 3.03 H new ATOM 0 HA LEU A 48 -8.349 11.757 5.328 1.00 2.71 H new ATOM 0 HB2 LEU A 48 -11.286 12.302 4.830 1.00 2.77 H new ATOM 0 HB3 LEU A 48 -9.915 13.205 4.217 1.00 2.77 H new ATOM 0 HG LEU A 48 -10.122 10.340 3.404 1.00 2.90 H new ATOM 0 HD11 LEU A 48 -11.682 10.901 1.602 1.00 3.19 H new ATOM 0 HD12 LEU A 48 -12.434 11.106 3.202 1.00 3.19 H new ATOM 0 HD13 LEU A 48 -11.891 12.531 2.285 1.00 3.19 H new ATOM 0 HD21 LEU A 48 -9.251 11.320 1.321 1.00 2.63 H new ATOM 0 HD22 LEU A 48 -9.411 12.948 2.022 1.00 2.63 H new ATOM 0 HD23 LEU A 48 -8.257 11.787 2.721 1.00 2.63 H new ATOM 723 N GLN A 49 -10.638 11.899 7.650 1.00 3.08 N ATOM 724 CA GLN A 49 -11.070 12.517 8.897 1.00 3.22 C ATOM 725 C GLN A 49 -10.077 12.260 10.034 1.00 3.25 C ATOM 726 O GLN A 49 -9.845 13.152 10.849 1.00 3.25 O ATOM 727 CB GLN A 49 -12.455 11.998 9.298 1.00 3.61 C ATOM 728 CG GLN A 49 -13.590 12.539 8.439 1.00 3.67 C ATOM 729 CD GLN A 49 -14.945 12.007 8.860 1.00 4.10 C ATOM 730 OE1 GLN A 49 -15.624 12.598 9.699 1.00 4.58 O ATOM 731 NE2 GLN A 49 -15.346 10.882 8.278 1.00 4.30 N ATOM 0 H GLN A 49 -11.083 11.002 7.458 1.00 3.08 H new ATOM 0 HA GLN A 49 -11.118 13.592 8.725 1.00 3.22 H new ATOM 0 HB2 GLN A 49 -12.455 10.910 9.239 1.00 3.61 H new ATOM 0 HB3 GLN A 49 -12.643 12.261 10.339 1.00 3.61 H new ATOM 0 HG2 GLN A 49 -13.597 13.627 8.497 1.00 3.67 H new ATOM 0 HG3 GLN A 49 -13.409 12.276 7.397 1.00 3.67 H new ATOM 0 HE21 GLN A 49 -14.751 10.425 7.587 1.00 4.30 H new ATOM 0 HE22 GLN A 49 -16.249 10.475 8.522 1.00 4.30 H new ATOM 740 N ASP A 50 -9.501 11.041 10.091 1.00 3.34 N ATOM 741 CA ASP A 50 -8.556 10.690 11.163 1.00 3.43 C ATOM 742 C ASP A 50 -7.090 11.036 10.853 1.00 3.13 C ATOM 743 O ASP A 50 -6.420 11.654 11.682 1.00 3.13 O ATOM 744 CB ASP A 50 -8.664 9.219 11.525 1.00 3.76 C ATOM 745 CG ASP A 50 -10.000 8.858 12.149 1.00 4.11 C ATOM 746 OD1 ASP A 50 -10.930 8.501 11.396 1.00 4.38 O ATOM 747 OD2 ASP A 50 -10.114 8.933 13.391 1.00 4.38 O ATOM 0 H ASP A 50 -9.672 10.295 9.416 1.00 3.34 H new ATOM 0 HA ASP A 50 -8.850 11.309 12.011 1.00 3.43 H new ATOM 0 HB2 ASP A 50 -8.514 8.618 10.628 1.00 3.76 H new ATOM 0 HB3 ASP A 50 -7.864 8.962 12.219 1.00 3.76 H new ATOM 752 N MET A 51 -6.573 10.613 9.681 1.00 2.93 N ATOM 753 CA MET A 51 -5.161 10.893 9.303 1.00 2.66 C ATOM 754 C MET A 51 -4.930 12.379 9.181 1.00 2.39 C ATOM 755 O MET A 51 -3.858 12.889 9.511 1.00 2.30 O ATOM 756 CB MET A 51 -4.758 10.206 7.989 1.00 2.59 C ATOM 757 CG MET A 51 -5.309 8.796 7.803 1.00 2.35 C ATOM 758 SD MET A 51 -5.068 8.148 6.129 1.00 2.18 S ATOM 759 CE MET A 51 -5.952 9.344 5.115 1.00 2.48 C ATOM 0 H MET A 51 -7.098 10.084 8.985 1.00 2.93 H new ATOM 0 HA MET A 51 -4.538 10.485 10.099 1.00 2.66 H new ATOM 0 HB2 MET A 51 -5.093 10.824 7.156 1.00 2.59 H new ATOM 0 HB3 MET A 51 -3.670 10.164 7.937 1.00 2.59 H new ATOM 0 HG2 MET A 51 -4.827 8.128 8.517 1.00 2.35 H new ATOM 0 HG3 MET A 51 -6.374 8.796 8.035 1.00 2.35 H new ATOM 0 HE1 MET A 51 -6.748 8.839 4.568 1.00 2.48 H new ATOM 0 HE2 MET A 51 -6.383 10.115 5.754 1.00 2.48 H new ATOM 0 HE3 MET A 51 -5.261 9.803 4.408 1.00 2.48 H new ATOM 769 N ILE A 52 -5.946 13.051 8.678 1.00 2.33 N ATOM 770 CA ILE A 52 -5.946 14.488 8.538 1.00 2.15 C ATOM 771 C ILE A 52 -6.115 15.131 9.905 1.00 2.40 C ATOM 772 O ILE A 52 -5.748 16.276 10.114 1.00 2.36 O ATOM 773 CB ILE A 52 -7.047 14.903 7.543 1.00 2.10 C ATOM 774 CG1 ILE A 52 -6.426 15.075 6.169 1.00 1.78 C ATOM 775 CG2 ILE A 52 -7.817 16.149 7.964 1.00 2.22 C ATOM 776 CD1 ILE A 52 -6.739 13.943 5.217 1.00 1.85 C ATOM 0 H ILE A 52 -6.804 12.606 8.352 1.00 2.33 H new ATOM 0 HA ILE A 52 -4.995 14.837 8.134 1.00 2.15 H new ATOM 0 HB ILE A 52 -7.791 14.107 7.523 1.00 2.10 H new ATOM 0 HG12 ILE A 52 -6.778 16.011 5.735 1.00 1.78 H new ATOM 0 HG13 ILE A 52 -5.345 15.160 6.276 1.00 1.78 H new ATOM 0 HG21 ILE A 52 -8.574 16.379 7.215 1.00 2.22 H new ATOM 0 HG22 ILE A 52 -8.300 15.971 8.925 1.00 2.22 H new ATOM 0 HG23 ILE A 52 -7.128 16.989 8.054 1.00 2.22 H new ATOM 0 HD11 ILE A 52 -6.263 14.134 4.255 1.00 1.85 H new ATOM 0 HD12 ILE A 52 -6.363 13.007 5.629 1.00 1.85 H new ATOM 0 HD13 ILE A 52 -7.818 13.871 5.079 1.00 1.85 H new ATOM 788 N ASN A 53 -6.656 14.346 10.830 1.00 2.72 N ATOM 789 CA ASN A 53 -6.856 14.771 12.204 1.00 3.03 C ATOM 790 C ASN A 53 -5.540 14.776 12.934 1.00 3.09 C ATOM 791 O ASN A 53 -5.407 15.244 14.061 1.00 3.36 O ATOM 792 CB ASN A 53 -7.855 13.837 12.891 1.00 3.37 C ATOM 793 CG ASN A 53 -8.355 14.347 14.235 1.00 3.66 C ATOM 794 OD1 ASN A 53 -7.766 14.061 15.277 1.00 3.89 O ATOM 795 ND2 ASN A 53 -9.445 15.104 14.213 1.00 3.98 N ATOM 0 H ASN A 53 -6.968 13.393 10.644 1.00 2.72 H new ATOM 0 HA ASN A 53 -7.260 15.783 12.218 1.00 3.03 H new ATOM 0 HB2 ASN A 53 -8.709 13.686 12.231 1.00 3.37 H new ATOM 0 HB3 ASN A 53 -7.387 12.863 13.035 1.00 3.37 H new ATOM 0 HD21 ASN A 53 -9.827 15.474 15.084 1.00 3.98 H new ATOM 0 HD22 ASN A 53 -9.901 15.316 13.326 1.00 3.98 H new ATOM 802 N GLU A 54 -4.620 14.167 12.270 1.00 2.90 N ATOM 803 CA GLU A 54 -3.243 14.090 12.715 1.00 2.96 C ATOM 804 C GLU A 54 -2.464 15.327 12.262 1.00 2.77 C ATOM 805 O GLU A 54 -1.421 15.654 12.836 1.00 2.93 O ATOM 806 CB GLU A 54 -2.584 12.815 12.171 1.00 2.91 C ATOM 807 CG GLU A 54 -3.102 11.537 12.818 1.00 3.22 C ATOM 808 CD GLU A 54 -2.507 10.287 12.199 1.00 3.25 C ATOM 809 OE1 GLU A 54 -3.101 9.762 11.233 1.00 3.56 O ATOM 810 OE2 GLU A 54 -1.447 9.833 12.679 1.00 3.40 O ATOM 0 H GLU A 54 -4.792 13.694 11.383 1.00 2.90 H new ATOM 0 HA GLU A 54 -3.230 14.055 13.804 1.00 2.96 H new ATOM 0 HB2 GLU A 54 -2.750 12.761 11.095 1.00 2.91 H new ATOM 0 HB3 GLU A 54 -1.507 12.879 12.324 1.00 2.91 H new ATOM 0 HG2 GLU A 54 -2.873 11.555 13.883 1.00 3.22 H new ATOM 0 HG3 GLU A 54 -4.188 11.502 12.726 1.00 3.22 H new ATOM 817 N VAL A 55 -2.985 16.004 11.229 1.00 2.49 N ATOM 818 CA VAL A 55 -2.335 17.207 10.688 1.00 2.36 C ATOM 819 C VAL A 55 -3.249 18.425 10.590 1.00 2.40 C ATOM 820 O VAL A 55 -2.756 19.555 10.513 1.00 2.49 O ATOM 821 CB VAL A 55 -1.665 16.956 9.303 1.00 1.99 C ATOM 822 CG1 VAL A 55 -0.691 15.796 9.378 1.00 2.37 C ATOM 823 CG2 VAL A 55 -2.692 16.696 8.199 1.00 2.07 C ATOM 0 H VAL A 55 -3.849 15.742 10.754 1.00 2.49 H new ATOM 0 HA VAL A 55 -1.565 17.435 11.425 1.00 2.36 H new ATOM 0 HB VAL A 55 -1.125 17.868 9.048 1.00 1.99 H new ATOM 0 HG11 VAL A 55 -0.236 15.639 8.400 1.00 2.37 H new ATOM 0 HG12 VAL A 55 0.086 16.020 10.108 1.00 2.37 H new ATOM 0 HG13 VAL A 55 -1.223 14.893 9.679 1.00 2.37 H new ATOM 0 HG21 VAL A 55 -2.176 16.527 7.254 1.00 2.07 H new ATOM 0 HG22 VAL A 55 -3.283 15.816 8.452 1.00 2.07 H new ATOM 0 HG23 VAL A 55 -3.350 17.560 8.103 1.00 2.07 H new ATOM 833 N ALA A 56 -4.557 18.206 10.592 1.00 2.43 N ATOM 834 CA ALA A 56 -5.497 19.309 10.469 1.00 2.53 C ATOM 835 C ALA A 56 -6.137 19.556 11.820 1.00 2.90 C ATOM 836 O ALA A 56 -7.163 20.235 11.947 1.00 3.05 O ATOM 837 CB ALA A 56 -6.515 19.010 9.378 1.00 2.36 C ATOM 0 H ALA A 56 -4.987 17.285 10.677 1.00 2.43 H new ATOM 0 HA ALA A 56 -4.983 20.223 10.170 1.00 2.53 H new ATOM 0 HB1 ALA A 56 -7.214 19.842 9.294 1.00 2.36 H new ATOM 0 HB2 ALA A 56 -6.000 18.872 8.427 1.00 2.36 H new ATOM 0 HB3 ALA A 56 -7.062 18.101 9.630 1.00 2.36 H new ATOM 843 N ALA A 57 -5.474 18.993 12.830 1.00 3.08 N ATOM 844 CA ALA A 57 -5.895 19.110 14.206 1.00 3.45 C ATOM 845 C ALA A 57 -5.148 20.218 14.909 1.00 3.67 C ATOM 846 O ALA A 57 -3.968 20.462 14.641 1.00 3.69 O ATOM 847 CB ALA A 57 -5.738 17.783 14.932 1.00 3.64 C ATOM 0 H ALA A 57 -4.625 18.441 12.704 1.00 3.08 H new ATOM 0 HA ALA A 57 -6.953 19.371 14.218 1.00 3.45 H new ATOM 0 HB1 ALA A 57 -6.061 17.894 15.967 1.00 3.64 H new ATOM 0 HB2 ALA A 57 -6.348 17.025 14.441 1.00 3.64 H new ATOM 0 HB3 ALA A 57 -4.692 17.477 14.909 1.00 3.64 H new ATOM 886 N GLY A 61 -9.545 24.292 11.654 1.00 3.52 N ATOM 887 CA GLY A 61 -10.634 23.420 11.230 1.00 3.44 C ATOM 888 C GLY A 61 -10.389 22.752 9.884 1.00 3.11 C ATOM 889 O GLY A 61 -11.234 21.984 9.415 1.00 3.10 O ATOM 0 HA2 GLY A 61 -10.788 22.650 11.986 1.00 3.44 H new ATOM 0 HA3 GLY A 61 -11.554 24.002 11.176 1.00 3.44 H new ATOM 893 N THR A 62 -9.237 23.043 9.265 1.00 2.91 N ATOM 894 CA THR A 62 -8.877 22.453 7.977 1.00 2.61 C ATOM 895 C THR A 62 -7.433 21.934 7.973 1.00 2.41 C ATOM 896 O THR A 62 -6.739 21.985 8.992 1.00 2.55 O ATOM 897 CB THR A 62 -9.115 23.425 6.798 1.00 2.62 C ATOM 898 OG1 THR A 62 -8.756 24.761 7.168 1.00 2.84 O ATOM 899 CG2 THR A 62 -10.574 23.379 6.364 1.00 2.75 C ATOM 0 H THR A 62 -8.539 23.686 9.640 1.00 2.91 H new ATOM 0 HA THR A 62 -9.541 21.601 7.834 1.00 2.61 H new ATOM 0 HB THR A 62 -8.487 23.114 5.963 1.00 2.62 H new ATOM 0 HG1 THR A 62 -9.057 25.385 6.475 1.00 2.84 H new ATOM 0 HG21 THR A 62 -10.728 24.068 5.533 1.00 2.75 H new ATOM 0 HG22 THR A 62 -10.828 22.367 6.048 1.00 2.75 H new ATOM 0 HG23 THR A 62 -11.211 23.669 7.199 1.00 2.75 H new ATOM 907 N ILE A 63 -6.998 21.462 6.803 1.00 2.14 N ATOM 908 CA ILE A 63 -5.690 20.853 6.600 1.00 1.93 C ATOM 909 C ILE A 63 -4.701 21.801 5.988 1.00 1.95 C ATOM 910 O ILE A 63 -5.006 22.465 5.016 1.00 1.99 O ATOM 911 CB ILE A 63 -5.699 19.730 5.554 1.00 1.63 C ATOM 912 CG1 ILE A 63 -7.084 19.480 4.926 1.00 1.70 C ATOM 913 CG2 ILE A 63 -5.065 18.413 6.023 1.00 1.51 C ATOM 914 CD1 ILE A 63 -8.064 18.755 5.825 1.00 1.95 C ATOM 0 H ILE A 63 -7.561 21.495 5.953 1.00 2.14 H new ATOM 0 HA ILE A 63 -5.432 20.517 7.604 1.00 1.93 H new ATOM 0 HB ILE A 63 -5.050 20.120 4.770 1.00 1.63 H new ATOM 0 HG12 ILE A 63 -7.516 20.439 4.638 1.00 1.70 H new ATOM 0 HG13 ILE A 63 -6.954 18.902 4.011 1.00 1.70 H new ATOM 0 HG21 ILE A 63 -5.116 17.678 5.220 1.00 1.51 H new ATOM 0 HG22 ILE A 63 -4.023 18.586 6.291 1.00 1.51 H new ATOM 0 HG23 ILE A 63 -5.605 18.038 6.892 1.00 1.51 H new ATOM 0 HD11 ILE A 63 -9.010 18.623 5.300 1.00 1.95 H new ATOM 0 HD12 ILE A 63 -7.659 17.779 6.093 1.00 1.95 H new ATOM 0 HD13 ILE A 63 -8.229 19.340 6.730 1.00 1.95 H new ATOM 926 N ASP A 64 -3.495 21.756 6.488 1.00 2.01 N ATOM 927 CA ASP A 64 -2.411 22.552 5.962 1.00 2.12 C ATOM 928 C ASP A 64 -1.559 21.670 5.034 1.00 1.86 C ATOM 929 O ASP A 64 -1.647 20.442 5.106 1.00 1.62 O ATOM 930 CB ASP A 64 -1.568 23.204 7.069 1.00 2.46 C ATOM 931 CG ASP A 64 -0.951 22.214 8.050 1.00 2.46 C ATOM 932 OD1 ASP A 64 -1.603 21.902 9.069 1.00 2.68 O ATOM 933 OD2 ASP A 64 0.182 21.754 7.796 1.00 2.74 O ATOM 0 H ASP A 64 -3.232 21.164 7.276 1.00 2.01 H new ATOM 0 HA ASP A 64 -2.828 23.382 5.392 1.00 2.12 H new ATOM 0 HB2 ASP A 64 -0.770 23.786 6.607 1.00 2.46 H new ATOM 0 HB3 ASP A 64 -2.194 23.904 7.622 1.00 2.46 H new ATOM 938 N PHE A 65 -0.737 22.285 4.181 1.00 1.97 N ATOM 939 CA PHE A 65 0.063 21.533 3.202 1.00 1.80 C ATOM 940 C PHE A 65 1.341 20.837 3.772 1.00 1.83 C ATOM 941 O PHE A 65 1.617 19.701 3.374 1.00 1.60 O ATOM 942 CB PHE A 65 0.461 22.455 2.033 1.00 2.04 C ATOM 943 CG PHE A 65 0.978 21.728 0.808 1.00 1.95 C ATOM 944 CD1 PHE A 65 0.123 20.960 0.042 1.00 2.40 C ATOM 945 CD2 PHE A 65 2.306 21.823 0.424 1.00 2.11 C ATOM 946 CE1 PHE A 65 0.557 20.296 -1.080 1.00 2.45 C ATOM 947 CE2 PHE A 65 2.761 21.159 -0.701 1.00 2.08 C ATOM 948 CZ PHE A 65 1.885 20.395 -1.454 1.00 1.96 C ATOM 0 H PHE A 65 -0.606 23.296 4.145 1.00 1.97 H new ATOM 0 HA PHE A 65 -0.586 20.723 2.871 1.00 1.80 H new ATOM 0 HB2 PHE A 65 -0.405 23.053 1.747 1.00 2.04 H new ATOM 0 HB3 PHE A 65 1.227 23.149 2.379 1.00 2.04 H new ATOM 0 HD1 PHE A 65 -0.914 20.879 0.333 1.00 2.40 H new ATOM 0 HD2 PHE A 65 2.991 22.420 1.008 1.00 2.11 H new ATOM 0 HE1 PHE A 65 -0.132 19.703 -1.664 1.00 2.45 H new ATOM 0 HE2 PHE A 65 3.798 21.236 -0.992 1.00 2.08 H new ATOM 0 HZ PHE A 65 2.239 19.877 -2.333 1.00 1.96 H new ATOM 958 N PRO A 66 2.141 21.475 4.695 1.00 2.16 N ATOM 959 CA PRO A 66 3.412 20.887 5.217 1.00 2.30 C ATOM 960 C PRO A 66 3.343 19.445 5.772 1.00 2.09 C ATOM 961 O PRO A 66 4.110 18.586 5.329 1.00 2.04 O ATOM 962 CB PRO A 66 3.825 21.866 6.323 1.00 2.67 C ATOM 963 CG PRO A 66 3.219 23.160 5.927 1.00 2.78 C ATOM 964 CD PRO A 66 1.897 22.808 5.311 1.00 2.48 C ATOM 0 HA PRO A 66 4.117 20.775 4.393 1.00 2.30 H new ATOM 0 HB2 PRO A 66 3.460 21.540 7.297 1.00 2.67 H new ATOM 0 HB3 PRO A 66 4.910 21.943 6.398 1.00 2.67 H new ATOM 0 HG2 PRO A 66 3.089 23.813 6.790 1.00 2.78 H new ATOM 0 HG3 PRO A 66 3.854 23.691 5.218 1.00 2.78 H new ATOM 0 HD2 PRO A 66 1.105 22.765 6.059 1.00 2.48 H new ATOM 0 HD3 PRO A 66 1.593 23.544 4.567 1.00 2.48 H new ATOM 972 N GLU A 67 2.438 19.182 6.727 1.00 2.04 N ATOM 973 CA GLU A 67 2.329 17.856 7.355 1.00 1.95 C ATOM 974 C GLU A 67 1.424 16.888 6.619 1.00 1.60 C ATOM 975 O GLU A 67 1.404 15.686 6.899 1.00 1.59 O ATOM 976 CB GLU A 67 1.945 17.970 8.837 1.00 2.24 C ATOM 977 CG GLU A 67 3.049 18.527 9.732 1.00 2.61 C ATOM 978 CD GLU A 67 3.161 20.040 9.668 1.00 3.15 C ATOM 979 OE1 GLU A 67 2.275 20.725 10.220 1.00 3.47 O ATOM 980 OE2 GLU A 67 4.137 20.537 9.068 1.00 3.66 O ATOM 0 H GLU A 67 1.772 19.869 7.081 1.00 2.04 H new ATOM 0 HA GLU A 67 3.326 17.421 7.287 1.00 1.95 H new ATOM 0 HB2 GLU A 67 1.066 18.609 8.924 1.00 2.24 H new ATOM 0 HB3 GLU A 67 1.660 16.984 9.203 1.00 2.24 H new ATOM 0 HG2 GLU A 67 2.860 18.226 10.762 1.00 2.61 H new ATOM 0 HG3 GLU A 67 4.002 18.085 9.441 1.00 2.61 H new ATOM 987 N PHE A 68 0.681 17.432 5.700 1.00 1.40 N ATOM 988 CA PHE A 68 -0.248 16.662 4.860 1.00 1.10 C ATOM 989 C PHE A 68 0.558 15.761 3.891 1.00 0.99 C ATOM 990 O PHE A 68 0.059 14.733 3.429 1.00 0.94 O ATOM 991 CB PHE A 68 -1.202 17.657 4.163 1.00 1.04 C ATOM 992 CG PHE A 68 -2.055 17.161 3.019 1.00 0.89 C ATOM 993 CD1 PHE A 68 -3.184 16.370 3.230 1.00 1.36 C ATOM 994 CD2 PHE A 68 -1.774 17.583 1.727 1.00 1.60 C ATOM 995 CE1 PHE A 68 -3.994 16.024 2.178 1.00 1.57 C ATOM 996 CE2 PHE A 68 -2.579 17.217 0.667 1.00 1.57 C ATOM 997 CZ PHE A 68 -3.694 16.442 0.889 1.00 1.15 C ATOM 0 H PHE A 68 0.688 18.431 5.495 1.00 1.40 H new ATOM 0 HA PHE A 68 -0.867 15.983 5.446 1.00 1.10 H new ATOM 0 HB2 PHE A 68 -1.870 18.062 4.923 1.00 1.04 H new ATOM 0 HB3 PHE A 68 -0.601 18.487 3.792 1.00 1.04 H new ATOM 0 HD1 PHE A 68 -3.422 16.028 4.226 1.00 1.36 H new ATOM 0 HD2 PHE A 68 -0.912 18.208 1.548 1.00 1.60 H new ATOM 0 HE1 PHE A 68 -4.873 15.421 2.354 1.00 1.57 H new ATOM 0 HE2 PHE A 68 -2.334 17.538 -0.335 1.00 1.57 H new ATOM 0 HZ PHE A 68 -4.332 16.160 0.065 1.00 1.15 H new ATOM 1007 N LEU A 69 1.806 16.185 3.589 1.00 1.15 N ATOM 1008 CA LEU A 69 2.740 15.411 2.741 1.00 1.24 C ATOM 1009 C LEU A 69 3.484 14.359 3.552 1.00 1.42 C ATOM 1010 O LEU A 69 3.752 13.261 3.061 1.00 1.53 O ATOM 1011 CB LEU A 69 3.778 16.288 2.043 1.00 1.51 C ATOM 1012 CG LEU A 69 3.416 17.749 1.865 1.00 1.59 C ATOM 1013 CD1 LEU A 69 4.584 18.605 2.290 1.00 1.82 C ATOM 1014 CD2 LEU A 69 3.033 18.020 0.426 1.00 1.76 C ATOM 0 H LEU A 69 2.192 17.068 3.924 1.00 1.15 H new ATOM 0 HA LEU A 69 2.114 14.938 1.985 1.00 1.24 H new ATOM 0 HB2 LEU A 69 4.708 16.233 2.609 1.00 1.51 H new ATOM 0 HB3 LEU A 69 3.978 15.863 1.059 1.00 1.51 H new ATOM 0 HG LEU A 69 2.557 17.995 2.489 1.00 1.59 H new ATOM 0 HD11 LEU A 69 4.329 19.657 2.164 1.00 1.82 H new ATOM 0 HD12 LEU A 69 4.815 18.411 3.337 1.00 1.82 H new ATOM 0 HD13 LEU A 69 5.452 18.366 1.676 1.00 1.82 H new ATOM 0 HD21 LEU A 69 2.775 19.073 0.310 1.00 1.76 H new ATOM 0 HD22 LEU A 69 3.873 17.778 -0.226 1.00 1.76 H new ATOM 0 HD23 LEU A 69 2.175 17.404 0.156 1.00 1.76 H new ATOM 1026 N THR A 70 3.852 14.720 4.793 1.00 1.58 N ATOM 1027 CA THR A 70 4.582 13.800 5.693 1.00 1.88 C ATOM 1028 C THR A 70 3.788 12.513 5.916 1.00 1.87 C ATOM 1029 O THR A 70 4.363 11.429 6.055 1.00 2.04 O ATOM 1030 CB THR A 70 4.916 14.442 7.058 1.00 2.19 C ATOM 1031 OG1 THR A 70 3.747 15.032 7.632 1.00 2.14 O ATOM 1032 CG2 THR A 70 6.007 15.496 6.918 1.00 2.80 C ATOM 0 H THR A 70 3.659 15.636 5.198 1.00 1.58 H new ATOM 0 HA THR A 70 5.524 13.569 5.195 1.00 1.88 H new ATOM 0 HB THR A 70 5.280 13.653 7.716 1.00 2.19 H new ATOM 0 HG1 THR A 70 2.978 14.871 7.046 1.00 2.14 H new ATOM 0 HG21 THR A 70 6.221 15.930 7.895 1.00 2.80 H new ATOM 0 HG22 THR A 70 6.911 15.034 6.521 1.00 2.80 H new ATOM 0 HG23 THR A 70 5.671 16.279 6.238 1.00 2.80 H new ATOM 1040 N MET A 71 2.460 12.662 5.947 1.00 1.77 N ATOM 1041 CA MET A 71 1.535 11.537 6.097 1.00 1.91 C ATOM 1042 C MET A 71 1.288 10.840 4.748 1.00 1.83 C ATOM 1043 O MET A 71 0.897 9.673 4.713 1.00 2.06 O ATOM 1044 CB MET A 71 0.205 12.011 6.704 1.00 2.01 C ATOM 1045 CG MET A 71 -0.441 13.181 5.968 1.00 2.31 C ATOM 1046 SD MET A 71 -1.731 13.968 6.929 1.00 2.07 S ATOM 1047 CE MET A 71 -3.137 12.949 6.529 1.00 1.57 C ATOM 0 H MET A 71 1.997 13.567 5.869 1.00 1.77 H new ATOM 0 HA MET A 71 1.991 10.815 6.774 1.00 1.91 H new ATOM 0 HB2 MET A 71 -0.494 11.174 6.716 1.00 2.01 H new ATOM 0 HB3 MET A 71 0.375 12.299 7.741 1.00 2.01 H new ATOM 0 HG2 MET A 71 0.324 13.917 5.721 1.00 2.31 H new ATOM 0 HG3 MET A 71 -0.859 12.827 5.026 1.00 2.31 H new ATOM 0 HE1 MET A 71 -4.054 13.466 6.813 1.00 1.57 H new ATOM 0 HE2 MET A 71 -3.149 12.751 5.457 1.00 1.57 H new ATOM 0 HE3 MET A 71 -3.069 12.006 7.072 1.00 1.57 H new ATOM 1057 N MET A 72 1.526 11.585 3.645 1.00 1.61 N ATOM 1058 CA MET A 72 1.335 11.091 2.264 1.00 1.69 C ATOM 1059 C MET A 72 2.049 9.755 2.000 1.00 1.97 C ATOM 1060 O MET A 72 1.633 8.993 1.122 1.00 2.17 O ATOM 1061 CB MET A 72 1.806 12.153 1.261 1.00 1.60 C ATOM 1062 CG MET A 72 0.732 13.168 0.897 1.00 1.46 C ATOM 1063 SD MET A 72 -0.382 12.585 -0.392 1.00 1.69 S ATOM 1064 CE MET A 72 -1.016 14.145 -1.008 1.00 1.53 C ATOM 0 H MET A 72 1.857 12.549 3.689 1.00 1.61 H new ATOM 0 HA MET A 72 0.269 10.905 2.135 1.00 1.69 H new ATOM 0 HB2 MET A 72 2.664 12.679 1.678 1.00 1.60 H new ATOM 0 HB3 MET A 72 2.147 11.656 0.353 1.00 1.60 H new ATOM 0 HG2 MET A 72 0.152 13.410 1.788 1.00 1.46 H new ATOM 0 HG3 MET A 72 1.209 14.091 0.567 1.00 1.46 H new ATOM 0 HE1 MET A 72 -0.913 14.177 -2.093 1.00 1.53 H new ATOM 0 HE2 MET A 72 -2.068 14.241 -0.741 1.00 1.53 H new ATOM 0 HE3 MET A 72 -0.453 14.967 -0.566 1.00 1.53 H new ATOM 1207 N SER A 81 0.690 -3.185 -0.754 1.00 3.49 N ATOM 1208 CA SER A 81 0.356 -4.600 -0.602 1.00 3.36 C ATOM 1209 C SER A 81 1.232 -5.507 -1.469 1.00 2.88 C ATOM 1210 O SER A 81 1.588 -6.617 -1.062 1.00 2.79 O ATOM 1211 CB SER A 81 -1.120 -4.835 -0.929 1.00 3.71 C ATOM 1212 OG SER A 81 -1.959 -4.087 -0.066 1.00 4.35 O ATOM 0 HA SER A 81 0.549 -4.861 0.439 1.00 3.36 H new ATOM 0 HB2 SER A 81 -1.315 -4.555 -1.964 1.00 3.71 H new ATOM 0 HB3 SER A 81 -1.352 -5.896 -0.837 1.00 3.71 H new ATOM 0 HG SER A 81 -1.531 -3.231 0.146 1.00 4.35 H new ATOM 1218 N GLU A 82 1.568 -5.013 -2.657 1.00 2.97 N ATOM 1219 CA GLU A 82 2.399 -5.751 -3.628 1.00 3.25 C ATOM 1220 C GLU A 82 3.887 -5.582 -3.355 1.00 3.85 C ATOM 1221 O GLU A 82 4.699 -6.440 -3.705 1.00 4.27 O ATOM 1222 CB GLU A 82 2.091 -5.288 -5.050 1.00 3.94 C ATOM 1223 CG GLU A 82 0.721 -5.713 -5.561 1.00 4.12 C ATOM 1224 CD GLU A 82 0.451 -5.232 -6.973 1.00 4.93 C ATOM 1225 OE1 GLU A 82 -0.097 -4.121 -7.127 1.00 5.51 O ATOM 1226 OE2 GLU A 82 0.788 -5.967 -7.925 1.00 5.25 O ATOM 0 H GLU A 82 1.277 -4.091 -2.982 1.00 2.97 H new ATOM 0 HA GLU A 82 2.153 -6.807 -3.519 1.00 3.25 H new ATOM 0 HB2 GLU A 82 2.160 -4.201 -5.089 1.00 3.94 H new ATOM 0 HB3 GLU A 82 2.855 -5.680 -5.721 1.00 3.94 H new ATOM 0 HG2 GLU A 82 0.647 -6.800 -5.531 1.00 4.12 H new ATOM 0 HG3 GLU A 82 -0.048 -5.323 -4.895 1.00 4.12 H new ATOM 1233 N GLU A 83 4.228 -4.453 -2.756 1.00 4.18 N ATOM 1234 CA GLU A 83 5.616 -4.135 -2.393 1.00 5.12 C ATOM 1235 C GLU A 83 6.074 -4.965 -1.185 1.00 5.33 C ATOM 1236 O GLU A 83 7.275 -5.152 -0.973 1.00 6.21 O ATOM 1237 CB GLU A 83 5.770 -2.638 -2.092 1.00 5.53 C ATOM 1238 CG GLU A 83 5.619 -1.732 -3.312 1.00 5.74 C ATOM 1239 CD GLU A 83 6.860 -1.701 -4.188 1.00 6.48 C ATOM 1240 OE1 GLU A 83 6.981 -2.568 -5.078 1.00 6.88 O ATOM 1241 OE2 GLU A 83 7.709 -0.808 -3.983 1.00 6.89 O ATOM 0 H GLU A 83 3.558 -3.726 -2.504 1.00 4.18 H new ATOM 0 HA GLU A 83 6.248 -4.388 -3.244 1.00 5.12 H new ATOM 0 HB2 GLU A 83 5.028 -2.351 -1.347 1.00 5.53 H new ATOM 0 HB3 GLU A 83 6.750 -2.468 -1.647 1.00 5.53 H new ATOM 0 HG2 GLU A 83 4.770 -2.071 -3.906 1.00 5.74 H new ATOM 0 HG3 GLU A 83 5.391 -0.719 -2.979 1.00 5.74 H new ATOM 1248 N GLU A 84 5.097 -5.454 -0.403 1.00 4.72 N ATOM 1249 CA GLU A 84 5.365 -6.260 0.794 1.00 5.16 C ATOM 1250 C GLU A 84 5.605 -7.744 0.473 1.00 4.87 C ATOM 1251 O GLU A 84 6.328 -8.417 1.212 1.00 5.53 O ATOM 1252 CB GLU A 84 4.209 -6.131 1.793 1.00 5.11 C ATOM 1253 CG GLU A 84 4.206 -4.821 2.576 1.00 5.77 C ATOM 1254 CD GLU A 84 5.185 -4.821 3.737 1.00 6.38 C ATOM 1255 OE1 GLU A 84 4.785 -5.219 4.851 1.00 6.86 O ATOM 1256 OE2 GLU A 84 6.351 -4.422 3.530 1.00 6.68 O ATOM 0 H GLU A 84 4.105 -5.301 -0.584 1.00 4.72 H new ATOM 0 HA GLU A 84 6.283 -5.869 1.233 1.00 5.16 H new ATOM 0 HB2 GLU A 84 3.266 -6.222 1.255 1.00 5.11 H new ATOM 0 HB3 GLU A 84 4.256 -6.962 2.496 1.00 5.11 H new ATOM 0 HG2 GLU A 84 4.451 -4.001 1.902 1.00 5.77 H new ATOM 0 HG3 GLU A 84 3.201 -4.633 2.955 1.00 5.77 H new ATOM 1263 N ILE A 85 5.002 -8.257 -0.622 1.00 3.98 N ATOM 1264 CA ILE A 85 5.168 -9.670 -1.014 1.00 3.69 C ATOM 1265 C ILE A 85 6.558 -9.967 -1.523 1.00 4.63 C ATOM 1266 O ILE A 85 7.232 -10.860 -1.010 1.00 5.03 O ATOM 1267 CB ILE A 85 4.090 -10.163 -2.015 1.00 2.77 C ATOM 1268 CG1 ILE A 85 3.886 -9.199 -3.195 1.00 3.16 C ATOM 1269 CG2 ILE A 85 2.781 -10.361 -1.277 1.00 1.99 C ATOM 1270 CD1 ILE A 85 4.067 -9.843 -4.552 1.00 3.97 C ATOM 0 H ILE A 85 4.401 -7.717 -1.244 1.00 3.98 H new ATOM 0 HA ILE A 85 5.023 -10.238 -0.095 1.00 3.69 H new ATOM 0 HB ILE A 85 4.439 -11.105 -2.437 1.00 2.77 H new ATOM 0 HG12 ILE A 85 2.884 -8.775 -3.136 1.00 3.16 H new ATOM 0 HG13 ILE A 85 4.588 -8.371 -3.100 1.00 3.16 H new ATOM 0 HG21 ILE A 85 2.019 -10.708 -1.975 1.00 1.99 H new ATOM 0 HG22 ILE A 85 2.916 -11.102 -0.489 1.00 1.99 H new ATOM 0 HG23 ILE A 85 2.466 -9.416 -0.835 1.00 1.99 H new ATOM 0 HD11 ILE A 85 3.907 -9.099 -5.332 1.00 3.97 H new ATOM 0 HD12 ILE A 85 5.078 -10.242 -4.633 1.00 3.97 H new ATOM 0 HD13 ILE A 85 3.347 -10.653 -4.669 1.00 3.97 H new ATOM 1282 N ARG A 86 6.996 -9.197 -2.501 1.00 5.19 N ATOM 1283 CA ARG A 86 8.349 -9.341 -3.047 1.00 6.32 C ATOM 1284 C ARG A 86 9.374 -9.137 -1.950 1.00 7.11 C ATOM 1285 O ARG A 86 10.514 -9.603 -2.045 1.00 7.98 O ATOM 1286 CB ARG A 86 8.631 -8.287 -4.093 1.00 6.99 C ATOM 1287 CG ARG A 86 8.811 -8.848 -5.496 1.00 7.36 C ATOM 1288 CD ARG A 86 9.052 -7.747 -6.520 1.00 8.25 C ATOM 1289 NE ARG A 86 10.402 -7.176 -6.418 1.00 8.76 N ATOM 1290 CZ ARG A 86 10.862 -6.163 -7.167 1.00 9.65 C ATOM 1291 NH1 ARG A 86 10.095 -5.584 -8.089 1.00 10.08 N ATOM 1292 NH2 ARG A 86 12.101 -5.727 -6.988 1.00 10.26 N ATOM 0 H ARG A 86 6.441 -8.462 -2.940 1.00 5.19 H new ATOM 0 HA ARG A 86 8.413 -10.339 -3.481 1.00 6.32 H new ATOM 0 HB2 ARG A 86 7.812 -7.568 -4.101 1.00 6.99 H new ATOM 0 HB3 ARG A 86 9.531 -7.741 -3.812 1.00 6.99 H new ATOM 0 HG2 ARG A 86 9.651 -9.542 -5.505 1.00 7.36 H new ATOM 0 HG3 ARG A 86 7.925 -9.417 -5.776 1.00 7.36 H new ATOM 0 HD2 ARG A 86 8.904 -8.148 -7.523 1.00 8.25 H new ATOM 0 HD3 ARG A 86 8.314 -6.957 -6.381 1.00 8.25 H new ATOM 0 HE ARG A 86 11.035 -7.579 -5.727 1.00 8.76 H new ATOM 0 HH11 ARG A 86 9.140 -5.910 -8.235 1.00 10.08 H new ATOM 0 HH12 ARG A 86 10.463 -4.815 -8.649 1.00 10.08 H new ATOM 0 HH21 ARG A 86 12.698 -6.162 -6.284 1.00 10.26 H new ATOM 0 HH22 ARG A 86 12.457 -4.957 -7.554 1.00 10.26 H new ATOM 1306 N GLU A 87 8.932 -8.430 -0.905 1.00 6.95 N ATOM 1307 CA GLU A 87 9.797 -8.101 0.206 1.00 7.91 C ATOM 1308 C GLU A 87 9.829 -9.220 1.245 1.00 7.97 C ATOM 1309 O GLU A 87 10.856 -9.476 1.879 1.00 8.94 O ATOM 1310 CB GLU A 87 9.373 -6.782 0.856 1.00 8.02 C ATOM 1311 CG GLU A 87 10.050 -5.554 0.261 1.00 8.75 C ATOM 1312 CD GLU A 87 11.406 -5.272 0.883 1.00 9.11 C ATOM 1313 OE1 GLU A 87 12.365 -6.013 0.581 1.00 9.62 O ATOM 1314 OE2 GLU A 87 11.508 -4.308 1.670 1.00 9.05 O ATOM 0 H GLU A 87 7.978 -8.080 -0.816 1.00 6.95 H new ATOM 0 HA GLU A 87 10.805 -7.985 -0.191 1.00 7.91 H new ATOM 0 HB2 GLU A 87 8.293 -6.672 0.759 1.00 8.02 H new ATOM 0 HB3 GLU A 87 9.595 -6.826 1.922 1.00 8.02 H new ATOM 0 HG2 GLU A 87 10.170 -5.695 -0.813 1.00 8.75 H new ATOM 0 HG3 GLU A 87 9.405 -4.686 0.398 1.00 8.75 H new ATOM 1321 N ALA A 88 8.673 -9.872 1.394 1.00 7.00 N ATOM 1322 CA ALA A 88 8.480 -10.965 2.350 1.00 7.06 C ATOM 1323 C ALA A 88 9.000 -12.295 1.808 1.00 7.01 C ATOM 1324 O ALA A 88 9.683 -13.039 2.505 1.00 7.73 O ATOM 1325 CB ALA A 88 7.019 -11.094 2.704 1.00 6.21 C ATOM 0 H ALA A 88 7.838 -9.654 0.850 1.00 7.00 H new ATOM 0 HA ALA A 88 9.054 -10.722 3.244 1.00 7.06 H new ATOM 0 HB1 ALA A 88 6.888 -11.910 3.415 1.00 6.21 H new ATOM 0 HB2 ALA A 88 6.669 -10.163 3.151 1.00 6.21 H new ATOM 0 HB3 ALA A 88 6.443 -11.303 1.802 1.00 6.21 H new ATOM 1331 N PHE A 89 8.602 -12.621 0.581 1.00 6.21 N ATOM 1332 CA PHE A 89 9.060 -13.830 -0.113 1.00 6.21 C ATOM 1333 C PHE A 89 10.588 -13.944 -0.186 1.00 7.49 C ATOM 1334 O PHE A 89 11.120 -15.029 -0.420 1.00 7.70 O ATOM 1335 CB PHE A 89 8.420 -13.873 -1.493 1.00 5.56 C ATOM 1336 CG PHE A 89 6.989 -14.257 -1.388 1.00 4.24 C ATOM 1337 CD1 PHE A 89 6.013 -13.315 -1.083 1.00 3.84 C ATOM 1338 CD2 PHE A 89 6.627 -15.574 -1.535 1.00 3.79 C ATOM 1339 CE1 PHE A 89 4.714 -13.689 -0.931 1.00 2.77 C ATOM 1340 CE2 PHE A 89 5.330 -15.957 -1.388 1.00 2.72 C ATOM 1341 CZ PHE A 89 4.369 -15.024 -1.083 1.00 1.93 C ATOM 0 H PHE A 89 7.951 -12.056 0.036 1.00 6.21 H new ATOM 0 HA PHE A 89 8.743 -14.697 0.466 1.00 6.21 H new ATOM 0 HB2 PHE A 89 8.507 -12.898 -1.972 1.00 5.56 H new ATOM 0 HB3 PHE A 89 8.949 -14.587 -2.124 1.00 5.56 H new ATOM 0 HD1 PHE A 89 6.289 -12.277 -0.966 1.00 3.84 H new ATOM 0 HD2 PHE A 89 7.379 -16.312 -1.770 1.00 3.79 H new ATOM 0 HE1 PHE A 89 3.959 -12.954 -0.694 1.00 2.77 H new ATOM 0 HE2 PHE A 89 5.056 -16.994 -1.511 1.00 2.72 H new ATOM 0 HZ PHE A 89 3.341 -15.331 -0.961 1.00 1.93 H new ATOM 1351 N ARG A 90 11.286 -12.821 0.017 1.00 8.36 N ATOM 1352 CA ARG A 90 12.747 -12.812 0.034 1.00 9.63 C ATOM 1353 C ARG A 90 13.264 -13.291 1.401 1.00 10.20 C ATOM 1354 O ARG A 90 14.465 -13.525 1.570 1.00 11.20 O ATOM 1355 CB ARG A 90 13.284 -11.413 -0.283 1.00 10.38 C ATOM 1356 CG ARG A 90 13.317 -11.104 -1.773 1.00 10.73 C ATOM 1357 CD ARG A 90 13.992 -9.770 -2.061 1.00 11.51 C ATOM 1358 NE ARG A 90 13.101 -8.631 -1.811 1.00 12.01 N ATOM 1359 CZ ARG A 90 13.179 -7.449 -2.441 1.00 12.77 C ATOM 1360 NH1 ARG A 90 14.107 -7.223 -3.370 1.00 13.10 N ATOM 1361 NH2 ARG A 90 12.316 -6.489 -2.141 1.00 13.29 N ATOM 0 H ARG A 90 10.859 -11.908 0.172 1.00 8.36 H new ATOM 0 HA ARG A 90 13.106 -13.496 -0.735 1.00 9.63 H new ATOM 0 HB2 ARG A 90 12.665 -10.671 0.221 1.00 10.38 H new ATOM 0 HB3 ARG A 90 14.291 -11.317 0.123 1.00 10.38 H new ATOM 0 HG2 ARG A 90 13.847 -11.900 -2.297 1.00 10.73 H new ATOM 0 HG3 ARG A 90 12.299 -11.088 -2.163 1.00 10.73 H new ATOM 0 HD2 ARG A 90 14.883 -9.675 -1.441 1.00 11.51 H new ATOM 0 HD3 ARG A 90 14.323 -9.749 -3.099 1.00 11.51 H new ATOM 0 HE ARG A 90 12.371 -8.746 -1.108 1.00 12.01 H new ATOM 0 HH11 ARG A 90 14.774 -7.955 -3.613 1.00 13.10 H new ATOM 0 HH12 ARG A 90 14.150 -6.318 -3.838 1.00 13.10 H new ATOM 0 HH21 ARG A 90 11.598 -6.651 -1.435 1.00 13.29 H new ATOM 0 HH22 ARG A 90 12.370 -5.588 -2.616 1.00 13.29 H new ATOM 1375 N VAL A 91 12.335 -13.435 2.369 1.00 9.66 N ATOM 1376 CA VAL A 91 12.648 -13.890 3.699 1.00 10.29 C ATOM 1377 C VAL A 91 12.310 -15.367 3.868 1.00 9.81 C ATOM 1378 O VAL A 91 13.122 -16.148 4.373 1.00 10.52 O ATOM 1379 CB VAL A 91 11.876 -13.123 4.791 1.00 10.33 C ATOM 1380 CG1 VAL A 91 12.765 -12.823 5.991 1.00 11.64 C ATOM 1381 CG2 VAL A 91 11.212 -11.854 4.280 1.00 9.85 C ATOM 0 H VAL A 91 11.345 -13.232 2.228 1.00 9.66 H new ATOM 0 HA VAL A 91 13.717 -13.713 3.818 1.00 10.29 H new ATOM 0 HB VAL A 91 11.072 -13.786 5.110 1.00 10.33 H new ATOM 0 HG11 VAL A 91 12.191 -12.282 6.743 1.00 11.64 H new ATOM 0 HG12 VAL A 91 13.129 -13.758 6.417 1.00 11.64 H new ATOM 0 HG13 VAL A 91 13.612 -12.214 5.673 1.00 11.64 H new ATOM 0 HG21 VAL A 91 10.686 -11.363 5.099 1.00 9.85 H new ATOM 0 HG22 VAL A 91 11.971 -11.181 3.881 1.00 9.85 H new ATOM 0 HG23 VAL A 91 10.502 -12.107 3.493 1.00 9.85 H new ATOM 1391 N PHE A 92 11.100 -15.726 3.434 1.00 8.63 N ATOM 1392 CA PHE A 92 10.595 -17.099 3.569 1.00 8.08 C ATOM 1393 C PHE A 92 10.871 -17.962 2.341 1.00 7.58 C ATOM 1394 O PHE A 92 11.066 -19.173 2.473 1.00 7.57 O ATOM 1395 CB PHE A 92 9.077 -17.082 3.765 1.00 7.14 C ATOM 1396 CG PHE A 92 8.554 -16.125 4.803 1.00 7.60 C ATOM 1397 CD1 PHE A 92 8.263 -14.805 4.474 1.00 7.95 C ATOM 1398 CD2 PHE A 92 8.291 -16.564 6.088 1.00 7.88 C ATOM 1399 CE1 PHE A 92 7.724 -13.951 5.409 1.00 8.45 C ATOM 1400 CE2 PHE A 92 7.763 -15.709 7.032 1.00 8.39 C ATOM 1401 CZ PHE A 92 7.475 -14.400 6.693 1.00 8.62 C ATOM 0 H PHE A 92 10.448 -15.084 2.984 1.00 8.63 H new ATOM 0 HA PHE A 92 11.116 -17.523 4.427 1.00 8.08 H new ATOM 0 HB2 PHE A 92 8.610 -16.841 2.810 1.00 7.14 H new ATOM 0 HB3 PHE A 92 8.754 -18.088 4.032 1.00 7.14 H new ATOM 0 HD1 PHE A 92 8.462 -14.447 3.475 1.00 7.95 H new ATOM 0 HD2 PHE A 92 8.502 -17.589 6.355 1.00 7.88 H new ATOM 0 HE1 PHE A 92 7.496 -12.930 5.140 1.00 8.45 H new ATOM 0 HE2 PHE A 92 7.575 -16.061 8.035 1.00 8.39 H new ATOM 0 HZ PHE A 92 7.057 -13.730 7.429 1.00 8.62 H new ATOM 1411 N ALA A 93 10.901 -17.342 1.160 1.00 7.32 N ATOM 1412 CA ALA A 93 11.167 -18.065 -0.078 1.00 7.11 C ATOM 1413 C ALA A 93 12.619 -17.841 -0.515 1.00 8.33 C ATOM 1414 O ALA A 93 13.265 -16.898 -0.045 1.00 8.83 O ATOM 1415 CB ALA A 93 10.145 -17.687 -1.160 1.00 6.22 C ATOM 0 H ALA A 93 10.744 -16.342 1.038 1.00 7.32 H new ATOM 0 HA ALA A 93 11.047 -19.135 0.091 1.00 7.11 H new ATOM 0 HB1 ALA A 93 10.363 -18.238 -2.075 1.00 6.22 H new ATOM 0 HB2 ALA A 93 9.141 -17.937 -0.816 1.00 6.22 H new ATOM 0 HB3 ALA A 93 10.204 -16.617 -1.359 1.00 6.22 H new ATOM 1421 N LYS A 94 13.132 -18.721 -1.405 1.00 8.92 N ATOM 1422 CA LYS A 94 14.528 -18.657 -1.922 1.00 10.13 C ATOM 1423 C LYS A 94 15.572 -19.089 -0.867 1.00 10.64 C ATOM 1424 O LYS A 94 16.770 -18.814 -1.017 1.00 11.32 O ATOM 1425 CB LYS A 94 14.867 -17.241 -2.454 1.00 10.90 C ATOM 1426 CG LYS A 94 15.289 -17.182 -3.934 1.00 11.36 C ATOM 1427 CD LYS A 94 14.194 -17.629 -4.928 1.00 11.16 C ATOM 1428 CE LYS A 94 12.942 -16.748 -4.899 1.00 10.61 C ATOM 1429 NZ LYS A 94 13.230 -15.330 -5.261 1.00 11.01 N ATOM 0 H LYS A 94 12.593 -19.498 -1.788 1.00 8.92 H new ATOM 0 HA LYS A 94 14.579 -19.368 -2.747 1.00 10.13 H new ATOM 0 HB2 LYS A 94 13.997 -16.600 -2.315 1.00 10.90 H new ATOM 0 HB3 LYS A 94 15.670 -16.824 -1.846 1.00 10.90 H new ATOM 0 HG2 LYS A 94 15.586 -16.161 -4.174 1.00 11.36 H new ATOM 0 HG3 LYS A 94 16.168 -17.811 -4.074 1.00 11.36 H new ATOM 0 HD2 LYS A 94 14.607 -17.625 -5.937 1.00 11.16 H new ATOM 0 HD3 LYS A 94 13.910 -18.657 -4.704 1.00 11.16 H new ATOM 0 HE2 LYS A 94 12.202 -17.152 -5.589 1.00 10.61 H new ATOM 0 HE3 LYS A 94 12.501 -16.782 -3.903 1.00 10.61 H new ATOM 0 HZ1 LYS A 94 12.340 -14.792 -5.292 1.00 11.01 H new ATOM 0 HZ2 LYS A 94 13.863 -14.912 -4.550 1.00 11.01 H new ATOM 0 HZ3 LYS A 94 13.688 -15.296 -6.194 1.00 11.01 H new ATOM 1443 N ASP A 95 15.114 -19.788 0.182 1.00 10.41 N ATOM 1444 CA ASP A 95 15.991 -20.251 1.258 1.00 10.95 C ATOM 1445 C ASP A 95 16.493 -21.684 1.035 1.00 11.36 C ATOM 1446 O ASP A 95 16.933 -22.365 1.971 1.00 11.72 O ATOM 1447 CB ASP A 95 15.296 -20.109 2.619 1.00 10.75 C ATOM 1448 CG ASP A 95 15.168 -18.663 3.061 1.00 10.79 C ATOM 1449 OD1 ASP A 95 14.137 -18.034 2.741 1.00 11.08 O ATOM 1450 OD2 ASP A 95 16.097 -18.161 3.726 1.00 10.72 O ATOM 0 H ASP A 95 14.134 -20.044 0.305 1.00 10.41 H new ATOM 0 HA ASP A 95 16.874 -19.612 1.251 1.00 10.95 H new ATOM 0 HB2 ASP A 95 14.304 -20.558 2.565 1.00 10.75 H new ATOM 0 HB3 ASP A 95 15.857 -20.666 3.369 1.00 10.75 H new ATOM 1455 N GLY A 96 16.441 -22.109 -0.219 1.00 11.41 N ATOM 1456 CA GLY A 96 16.870 -23.452 -0.602 1.00 11.89 C ATOM 1457 C GLY A 96 16.263 -23.893 -1.907 1.00 11.67 C ATOM 1458 O GLY A 96 15.039 -23.852 -2.060 1.00 11.82 O ATOM 0 H GLY A 96 16.104 -21.541 -0.996 1.00 11.41 H new ATOM 0 HA2 GLY A 96 17.957 -23.475 -0.683 1.00 11.89 H new ATOM 0 HA3 GLY A 96 16.594 -24.157 0.182 1.00 11.89 H new ATOM 1462 N ASN A 97 17.129 -24.335 -2.854 1.00 11.48 N ATOM 1463 CA ASN A 97 16.716 -24.806 -4.199 1.00 11.39 C ATOM 1464 C ASN A 97 16.092 -23.695 -5.057 1.00 11.24 C ATOM 1465 O ASN A 97 16.073 -23.767 -6.289 1.00 11.69 O ATOM 1466 CB ASN A 97 15.740 -25.949 -4.032 1.00 10.47 C ATOM 1467 CG ASN A 97 15.927 -27.046 -5.063 1.00 10.82 C ATOM 1468 OD1 ASN A 97 16.592 -28.049 -4.804 1.00 11.12 O ATOM 1469 ND2 ASN A 97 15.351 -26.854 -6.244 1.00 10.95 N ATOM 0 H ASN A 97 18.137 -24.374 -2.705 1.00 11.48 H new ATOM 0 HA ASN A 97 17.610 -25.135 -4.729 1.00 11.39 H new ATOM 0 HB2 ASN A 97 15.853 -26.373 -3.034 1.00 10.47 H new ATOM 0 HB3 ASN A 97 14.723 -25.563 -4.101 1.00 10.47 H new ATOM 0 HD21 ASN A 97 15.451 -27.553 -6.980 1.00 10.95 H new ATOM 0 HD22 ASN A 97 14.808 -26.007 -6.415 1.00 10.95 H new ATOM 1476 N GLY A 98 15.596 -22.690 -4.361 1.00 10.71 N ATOM 1477 CA GLY A 98 14.971 -21.523 -4.958 1.00 10.57 C ATOM 1478 C GLY A 98 13.470 -21.465 -4.722 1.00 9.35 C ATOM 1479 O GLY A 98 12.878 -20.400 -4.860 1.00 9.23 O ATOM 0 H GLY A 98 15.616 -22.661 -3.342 1.00 10.71 H new ATOM 0 HA2 GLY A 98 15.432 -20.623 -4.551 1.00 10.57 H new ATOM 0 HA3 GLY A 98 15.165 -21.523 -6.031 1.00 10.57 H new ATOM 1483 N TYR A 99 12.868 -22.588 -4.307 1.00 8.53 N ATOM 1484 CA TYR A 99 11.449 -22.635 -4.001 1.00 7.35 C ATOM 1485 C TYR A 99 11.249 -23.236 -2.605 1.00 6.60 C ATOM 1486 O TYR A 99 11.582 -24.405 -2.379 1.00 6.68 O ATOM 1487 CB TYR A 99 10.632 -23.407 -5.071 1.00 7.03 C ATOM 1488 CG TYR A 99 10.869 -24.907 -5.194 1.00 7.42 C ATOM 1489 CD1 TYR A 99 12.138 -25.430 -5.427 1.00 7.29 C ATOM 1490 CD2 TYR A 99 9.797 -25.799 -5.094 1.00 8.16 C ATOM 1491 CE1 TYR A 99 12.334 -26.791 -5.553 1.00 7.85 C ATOM 1492 CE2 TYR A 99 9.994 -27.161 -5.217 1.00 8.71 C ATOM 1493 CZ TYR A 99 11.262 -27.651 -5.447 1.00 8.53 C ATOM 1494 OH TYR A 99 11.460 -29.006 -5.575 1.00 9.21 O ATOM 0 H TYR A 99 13.353 -23.476 -4.178 1.00 8.53 H new ATOM 0 HA TYR A 99 11.068 -21.614 -4.013 1.00 7.35 H new ATOM 0 HB2 TYR A 99 9.574 -23.250 -4.863 1.00 7.03 H new ATOM 0 HB3 TYR A 99 10.837 -22.954 -6.041 1.00 7.03 H new ATOM 0 HD1 TYR A 99 12.982 -24.761 -5.510 1.00 7.29 H new ATOM 0 HD2 TYR A 99 8.802 -25.418 -4.918 1.00 8.16 H new ATOM 0 HE1 TYR A 99 13.325 -27.181 -5.734 1.00 7.85 H new ATOM 0 HE2 TYR A 99 9.158 -27.839 -5.133 1.00 8.71 H new ATOM 0 HH TYR A 99 12.394 -29.221 -5.371 1.00 9.21 H new ATOM 1504 N ILE A 100 10.724 -22.439 -1.669 1.00 6.19 N ATOM 1505 CA ILE A 100 10.489 -22.913 -0.299 1.00 5.73 C ATOM 1506 C ILE A 100 9.158 -23.683 -0.217 1.00 4.64 C ATOM 1507 O ILE A 100 8.346 -23.615 -1.142 1.00 4.17 O ATOM 1508 CB ILE A 100 10.554 -21.726 0.725 1.00 5.84 C ATOM 1509 CG1 ILE A 100 10.796 -22.213 2.171 1.00 5.96 C ATOM 1510 CG2 ILE A 100 9.299 -20.850 0.667 1.00 5.70 C ATOM 1511 CD1 ILE A 100 12.177 -22.797 2.418 1.00 6.65 C ATOM 0 H ILE A 100 10.455 -21.469 -1.832 1.00 6.19 H new ATOM 0 HA ILE A 100 11.284 -23.607 -0.027 1.00 5.73 H new ATOM 0 HB ILE A 100 11.409 -21.119 0.427 1.00 5.84 H new ATOM 0 HG12 ILE A 100 10.642 -21.377 2.853 1.00 5.96 H new ATOM 0 HG13 ILE A 100 10.048 -22.967 2.417 1.00 5.96 H new ATOM 0 HG21 ILE A 100 9.386 -20.041 1.392 1.00 5.70 H new ATOM 0 HG22 ILE A 100 9.194 -20.431 -0.334 1.00 5.70 H new ATOM 0 HG23 ILE A 100 8.422 -21.454 0.901 1.00 5.70 H new ATOM 0 HD11 ILE A 100 12.258 -23.112 3.458 1.00 6.65 H new ATOM 0 HD12 ILE A 100 12.331 -23.656 1.765 1.00 6.65 H new ATOM 0 HD13 ILE A 100 12.934 -22.042 2.208 1.00 6.65 H new ATOM 1523 N SER A 101 8.941 -24.405 0.891 1.00 4.56 N ATOM 1524 CA SER A 101 7.726 -25.197 1.066 1.00 3.87 C ATOM 1525 C SER A 101 6.468 -24.348 1.057 1.00 3.18 C ATOM 1526 O SER A 101 6.414 -23.268 1.653 1.00 3.33 O ATOM 1527 CB SER A 101 7.784 -26.027 2.347 1.00 4.59 C ATOM 1528 OG SER A 101 9.050 -26.647 2.505 1.00 5.48 O ATOM 0 H SER A 101 9.592 -24.454 1.675 1.00 4.56 H new ATOM 0 HA SER A 101 7.677 -25.868 0.209 1.00 3.87 H new ATOM 0 HB2 SER A 101 7.580 -25.388 3.206 1.00 4.59 H new ATOM 0 HB3 SER A 101 7.004 -26.789 2.325 1.00 4.59 H new ATOM 0 HG SER A 101 9.630 -26.401 1.755 1.00 5.48 H new ATOM 1534 N ALA A 102 5.461 -24.874 0.355 1.00 2.74 N ATOM 1535 CA ALA A 102 4.130 -24.239 0.220 1.00 2.63 C ATOM 1536 C ALA A 102 3.491 -23.842 1.565 1.00 3.39 C ATOM 1537 O ALA A 102 2.560 -23.033 1.596 1.00 3.61 O ATOM 1538 CB ALA A 102 3.193 -25.172 -0.526 1.00 3.06 C ATOM 0 H ALA A 102 5.539 -25.761 -0.143 1.00 2.74 H new ATOM 0 HA ALA A 102 4.287 -23.315 -0.336 1.00 2.63 H new ATOM 0 HB1 ALA A 102 2.214 -24.703 -0.624 1.00 3.06 H new ATOM 0 HB2 ALA A 102 3.598 -25.378 -1.517 1.00 3.06 H new ATOM 0 HB3 ALA A 102 3.094 -26.106 0.027 1.00 3.06 H new ATOM 1544 N ALA A 103 4.000 -24.418 2.664 1.00 4.09 N ATOM 1545 CA ALA A 103 3.497 -24.142 4.016 1.00 5.20 C ATOM 1546 C ALA A 103 3.943 -22.770 4.542 1.00 5.47 C ATOM 1547 O ALA A 103 3.335 -22.237 5.475 1.00 6.33 O ATOM 1548 CB ALA A 103 3.944 -25.238 4.971 1.00 5.96 C ATOM 0 H ALA A 103 4.770 -25.087 2.640 1.00 4.09 H new ATOM 0 HA ALA A 103 2.409 -24.124 3.957 1.00 5.20 H new ATOM 0 HB1 ALA A 103 3.567 -25.025 5.971 1.00 5.96 H new ATOM 0 HB2 ALA A 103 3.553 -26.197 4.632 1.00 5.96 H new ATOM 0 HB3 ALA A 103 5.033 -25.278 4.995 1.00 5.96 H new ATOM 1554 N GLU A 104 5.005 -22.207 3.939 1.00 4.91 N ATOM 1555 CA GLU A 104 5.545 -20.901 4.353 1.00 5.33 C ATOM 1556 C GLU A 104 4.690 -19.731 3.852 1.00 4.76 C ATOM 1557 O GLU A 104 4.546 -18.737 4.564 1.00 5.38 O ATOM 1558 CB GLU A 104 6.992 -20.735 3.883 1.00 5.44 C ATOM 1559 CG GLU A 104 7.986 -21.621 4.628 1.00 6.31 C ATOM 1560 CD GLU A 104 8.427 -21.028 5.955 1.00 6.92 C ATOM 1561 OE1 GLU A 104 7.768 -21.307 6.978 1.00 7.26 O ATOM 1562 OE2 GLU A 104 9.432 -20.286 5.970 1.00 7.37 O ATOM 0 H GLU A 104 5.507 -22.637 3.162 1.00 4.91 H new ATOM 0 HA GLU A 104 5.520 -20.883 5.443 1.00 5.33 H new ATOM 0 HB2 GLU A 104 7.046 -20.960 2.818 1.00 5.44 H new ATOM 0 HB3 GLU A 104 7.286 -19.693 4.004 1.00 5.44 H new ATOM 0 HG2 GLU A 104 7.534 -22.597 4.804 1.00 6.31 H new ATOM 0 HG3 GLU A 104 8.862 -21.784 4.000 1.00 6.31 H new ATOM 1569 N LEU A 105 4.156 -19.838 2.615 1.00 3.64 N ATOM 1570 CA LEU A 105 3.276 -18.810 2.020 1.00 3.09 C ATOM 1571 C LEU A 105 2.185 -18.355 2.957 1.00 4.03 C ATOM 1572 O LEU A 105 1.854 -17.170 3.011 1.00 4.13 O ATOM 1573 CB LEU A 105 2.575 -19.352 0.774 1.00 2.35 C ATOM 1574 CG LEU A 105 3.442 -20.150 -0.217 1.00 1.65 C ATOM 1575 CD1 LEU A 105 2.583 -21.067 -1.069 1.00 2.00 C ATOM 1576 CD2 LEU A 105 4.259 -19.212 -1.092 1.00 1.38 C ATOM 0 H LEU A 105 4.323 -20.637 2.003 1.00 3.64 H new ATOM 0 HA LEU A 105 3.933 -17.972 1.786 1.00 3.09 H new ATOM 0 HB2 LEU A 105 1.753 -19.991 1.097 1.00 2.35 H new ATOM 0 HB3 LEU A 105 2.134 -18.511 0.239 1.00 2.35 H new ATOM 0 HG LEU A 105 4.131 -20.769 0.357 1.00 1.65 H new ATOM 0 HD11 LEU A 105 3.217 -21.620 -1.761 1.00 2.00 H new ATOM 0 HD12 LEU A 105 2.050 -21.768 -0.426 1.00 2.00 H new ATOM 0 HD13 LEU A 105 1.864 -20.472 -1.632 1.00 2.00 H new ATOM 0 HD21 LEU A 105 4.865 -19.796 -1.785 1.00 1.38 H new ATOM 0 HD22 LEU A 105 3.588 -18.563 -1.655 1.00 1.38 H new ATOM 0 HD23 LEU A 105 4.911 -18.604 -0.464 1.00 1.38 H new ATOM 1588 N ARG A 106 1.625 -19.312 3.683 1.00 4.83 N ATOM 1589 CA ARG A 106 0.552 -19.028 4.623 1.00 5.95 C ATOM 1590 C ARG A 106 1.059 -18.141 5.738 1.00 6.65 C ATOM 1591 O ARG A 106 0.302 -17.414 6.364 1.00 7.39 O ATOM 1592 CB ARG A 106 -0.060 -20.304 5.217 1.00 6.81 C ATOM 1593 CG ARG A 106 -0.566 -21.312 4.187 1.00 6.46 C ATOM 1594 CD ARG A 106 0.488 -22.352 3.882 1.00 5.99 C ATOM 1595 NE ARG A 106 0.566 -23.387 4.922 1.00 6.40 N ATOM 1596 CZ ARG A 106 0.248 -24.678 4.743 1.00 6.89 C ATOM 1597 NH1 ARG A 106 -0.178 -25.128 3.563 1.00 7.08 N ATOM 1598 NH2 ARG A 106 0.358 -25.525 5.757 1.00 7.37 N ATOM 0 H ARG A 106 1.897 -20.294 3.638 1.00 4.83 H new ATOM 0 HA ARG A 106 -0.233 -18.516 4.067 1.00 5.95 H new ATOM 0 HB2 ARG A 106 0.687 -20.791 5.844 1.00 6.81 H new ATOM 0 HB3 ARG A 106 -0.888 -20.024 5.868 1.00 6.81 H new ATOM 0 HG2 ARG A 106 -1.465 -21.800 4.562 1.00 6.46 H new ATOM 0 HG3 ARG A 106 -0.844 -20.792 3.270 1.00 6.46 H new ATOM 0 HD2 ARG A 106 0.267 -22.820 2.923 1.00 5.99 H new ATOM 0 HD3 ARG A 106 1.458 -21.865 3.783 1.00 5.99 H new ATOM 0 HE ARG A 106 0.885 -23.103 5.848 1.00 6.40 H new ATOM 0 HH11 ARG A 106 -0.267 -24.487 2.775 1.00 7.08 H new ATOM 0 HH12 ARG A 106 -0.415 -26.114 3.448 1.00 7.08 H new ATOM 0 HH21 ARG A 106 0.683 -25.194 6.665 1.00 7.37 H new ATOM 0 HH22 ARG A 106 0.118 -26.508 5.629 1.00 7.37 H new ATOM 1612 N HIS A 107 2.352 -18.257 5.985 1.00 6.60 N ATOM 1613 CA HIS A 107 3.042 -17.439 6.952 1.00 7.43 C ATOM 1614 C HIS A 107 3.502 -16.140 6.281 1.00 6.90 C ATOM 1615 O HIS A 107 3.781 -15.153 6.967 1.00 7.61 O ATOM 1616 CB HIS A 107 4.242 -18.184 7.547 1.00 8.00 C ATOM 1617 CG HIS A 107 3.862 -19.325 8.442 1.00 8.87 C ATOM 1618 ND1 HIS A 107 3.873 -19.238 9.819 1.00 9.79 N ATOM 1619 CD2 HIS A 107 3.459 -20.584 8.150 1.00 9.07 C ATOM 1620 CE1 HIS A 107 3.495 -20.395 10.334 1.00 10.41 C ATOM 1621 NE2 HIS A 107 3.237 -21.227 9.343 1.00 10.03 N ATOM 0 H HIS A 107 2.954 -18.931 5.512 1.00 6.60 H new ATOM 0 HA HIS A 107 2.357 -17.206 7.767 1.00 7.43 H new ATOM 0 HB2 HIS A 107 4.862 -18.563 6.734 1.00 8.00 H new ATOM 0 HB3 HIS A 107 4.852 -17.479 8.112 1.00 8.00 H new ATOM 0 HD2 HIS A 107 3.335 -21.004 7.163 1.00 9.07 H new ATOM 0 HE1 HIS A 107 3.412 -20.621 11.387 1.00 10.41 H new ATOM 0 HE2 HIS A 107 2.923 -22.192 9.446 1.00 10.03 H new ATOM 1630 N VAL A 108 3.581 -16.152 4.924 1.00 5.69 N ATOM 1631 CA VAL A 108 3.997 -14.980 4.163 1.00 5.20 C ATOM 1632 C VAL A 108 2.834 -14.048 3.875 1.00 4.84 C ATOM 1633 O VAL A 108 2.834 -12.907 4.329 1.00 5.36 O ATOM 1634 CB VAL A 108 4.687 -15.375 2.821 1.00 4.27 C ATOM 1635 CG1 VAL A 108 5.233 -14.152 2.107 1.00 4.16 C ATOM 1636 CG2 VAL A 108 5.773 -16.421 3.013 1.00 4.80 C ATOM 0 H VAL A 108 3.359 -16.966 4.351 1.00 5.69 H new ATOM 0 HA VAL A 108 4.719 -14.455 4.789 1.00 5.20 H new ATOM 0 HB VAL A 108 3.919 -15.826 2.193 1.00 4.27 H new ATOM 0 HG11 VAL A 108 5.709 -14.457 1.175 1.00 4.16 H new ATOM 0 HG12 VAL A 108 4.417 -13.463 1.890 1.00 4.16 H new ATOM 0 HG13 VAL A 108 5.966 -13.656 2.743 1.00 4.16 H new ATOM 0 HG21 VAL A 108 6.222 -16.661 2.049 1.00 4.80 H new ATOM 0 HG22 VAL A 108 6.539 -16.031 3.683 1.00 4.80 H new ATOM 0 HG23 VAL A 108 5.338 -17.322 3.445 1.00 4.80 H new ATOM 1646 N MET A 109 1.872 -14.530 3.095 1.00 4.11 N ATOM 1647 CA MET A 109 0.667 -13.754 2.781 1.00 4.08 C ATOM 1648 C MET A 109 -0.008 -13.271 4.057 1.00 5.33 C ATOM 1649 O MET A 109 -0.570 -12.172 4.087 1.00 5.53 O ATOM 1650 CB MET A 109 -0.272 -14.538 1.887 1.00 3.81 C ATOM 1651 CG MET A 109 0.108 -14.382 0.418 1.00 2.70 C ATOM 1652 SD MET A 109 -1.100 -15.087 -0.709 1.00 3.27 S ATOM 1653 CE MET A 109 -0.686 -16.815 -0.572 1.00 3.46 C ATOM 0 H MET A 109 1.899 -15.455 2.666 1.00 4.11 H new ATOM 0 HA MET A 109 0.961 -12.868 2.219 1.00 4.08 H new ATOM 0 HB2 MET A 109 -0.245 -15.592 2.162 1.00 3.81 H new ATOM 0 HB3 MET A 109 -1.295 -14.195 2.039 1.00 3.81 H new ATOM 0 HG2 MET A 109 0.230 -13.323 0.192 1.00 2.70 H new ATOM 0 HG3 MET A 109 1.074 -14.857 0.248 1.00 2.70 H new ATOM 0 HE1 MET A 109 -1.600 -17.408 -0.558 1.00 3.46 H new ATOM 0 HE2 MET A 109 -0.074 -17.111 -1.424 1.00 3.46 H new ATOM 0 HE3 MET A 109 -0.130 -16.984 0.350 1.00 3.46 H new ATOM 1663 N THR A 110 0.048 -14.104 5.111 1.00 6.20 N ATOM 1664 CA THR A 110 -0.445 -13.689 6.427 1.00 7.45 C ATOM 1665 C THR A 110 0.502 -12.617 7.016 1.00 7.80 C ATOM 1666 O THR A 110 0.056 -11.746 7.768 1.00 8.54 O ATOM 1667 CB THR A 110 -0.551 -14.883 7.394 1.00 8.32 C ATOM 1668 OG1 THR A 110 -1.418 -15.873 6.831 1.00 8.16 O ATOM 1669 CG2 THR A 110 -1.094 -14.481 8.767 1.00 9.65 C ATOM 0 H THR A 110 0.424 -15.052 5.075 1.00 6.20 H new ATOM 0 HA THR A 110 -1.445 -13.274 6.301 1.00 7.45 H new ATOM 0 HB THR A 110 0.457 -15.274 7.534 1.00 8.32 H new ATOM 0 HG1 THR A 110 -0.948 -16.732 6.785 1.00 8.16 H new ATOM 0 HG21 THR A 110 -1.148 -15.360 9.409 1.00 9.65 H new ATOM 0 HG22 THR A 110 -0.431 -13.743 9.218 1.00 9.65 H new ATOM 0 HG23 THR A 110 -2.090 -14.053 8.653 1.00 9.65 H new ATOM 1677 N ASN A 111 1.816 -12.697 6.677 1.00 7.42 N ATOM 1678 CA ASN A 111 2.805 -11.707 7.151 1.00 8.00 C ATOM 1679 C ASN A 111 2.516 -10.296 6.590 1.00 7.57 C ATOM 1680 O ASN A 111 2.611 -9.312 7.328 1.00 8.26 O ATOM 1681 CB ASN A 111 4.229 -12.144 6.782 1.00 7.98 C ATOM 1682 CG ASN A 111 5.279 -11.590 7.731 1.00 9.16 C ATOM 1683 OD1 ASN A 111 5.614 -12.215 8.737 1.00 9.84 O ATOM 1684 ND2 ASN A 111 5.803 -10.412 7.412 1.00 9.58 N ATOM 0 H ASN A 111 2.206 -13.430 6.084 1.00 7.42 H new ATOM 0 HA ASN A 111 2.721 -11.658 8.237 1.00 8.00 H new ATOM 0 HB2 ASN A 111 4.282 -13.233 6.784 1.00 7.98 H new ATOM 0 HB3 ASN A 111 4.454 -11.816 5.767 1.00 7.98 H new ATOM 0 HD21 ASN A 111 6.513 -9.991 8.011 1.00 9.58 H new ATOM 0 HD22 ASN A 111 5.496 -9.929 6.568 1.00 9.58 H new ATOM 1691 N LEU A 112 2.165 -10.205 5.285 1.00 6.48 N ATOM 1692 CA LEU A 112 1.843 -8.914 4.650 1.00 6.02 C ATOM 1693 C LEU A 112 0.447 -8.433 5.053 1.00 6.50 C ATOM 1694 O LEU A 112 0.289 -7.340 5.606 1.00 6.87 O ATOM 1695 CB LEU A 112 1.924 -8.958 3.118 1.00 4.81 C ATOM 1696 CG LEU A 112 1.437 -10.242 2.463 1.00 4.44 C ATOM 1697 CD1 LEU A 112 0.569 -9.942 1.251 1.00 4.55 C ATOM 1698 CD2 LEU A 112 2.631 -11.091 2.104 1.00 4.77 C ATOM 0 H LEU A 112 2.099 -11.007 4.659 1.00 6.48 H new ATOM 0 HA LEU A 112 2.600 -8.217 5.009 1.00 6.02 H new ATOM 0 HB2 LEU A 112 1.343 -8.127 2.719 1.00 4.81 H new ATOM 0 HB3 LEU A 112 2.960 -8.793 2.823 1.00 4.81 H new ATOM 0 HG LEU A 112 0.811 -10.796 3.163 1.00 4.44 H new ATOM 0 HD11 LEU A 112 0.235 -10.877 0.802 1.00 4.55 H new ATOM 0 HD12 LEU A 112 -0.298 -9.358 1.560 1.00 4.55 H new ATOM 0 HD13 LEU A 112 1.147 -9.376 0.521 1.00 4.55 H new ATOM 0 HD21 LEU A 112 2.293 -12.014 1.634 1.00 4.77 H new ATOM 0 HD22 LEU A 112 3.271 -10.544 1.412 1.00 4.77 H new ATOM 0 HD23 LEU A 112 3.193 -11.329 3.007 1.00 4.77 H new ATOM 1710 N GLY A 113 -0.553 -9.276 4.762 1.00 6.67 N ATOM 1711 CA GLY A 113 -1.940 -8.959 5.076 1.00 7.40 C ATOM 1712 C GLY A 113 -2.401 -9.574 6.379 1.00 8.34 C ATOM 1713 O GLY A 113 -2.067 -10.722 6.683 1.00 8.64 O ATOM 0 H GLY A 113 -0.421 -10.181 4.310 1.00 6.67 H new ATOM 0 HA2 GLY A 113 -2.058 -7.877 5.129 1.00 7.40 H new ATOM 0 HA3 GLY A 113 -2.580 -9.310 4.267 1.00 7.40 H new ATOM 1717 N GLU A 114 -3.183 -8.802 7.138 1.00 8.94 N ATOM 1718 CA GLU A 114 -3.717 -9.245 8.432 1.00 10.00 C ATOM 1719 C GLU A 114 -5.023 -10.014 8.263 1.00 10.47 C ATOM 1720 O GLU A 114 -5.349 -10.892 9.067 1.00 11.33 O ATOM 1721 CB GLU A 114 -3.958 -8.042 9.343 1.00 10.43 C ATOM 1722 CG GLU A 114 -2.683 -7.384 9.854 1.00 10.39 C ATOM 1723 CD GLU A 114 -2.961 -6.192 10.748 1.00 11.02 C ATOM 1724 OE1 GLU A 114 -3.079 -6.386 11.976 1.00 11.20 O ATOM 1725 OE2 GLU A 114 -3.059 -5.064 10.220 1.00 11.47 O ATOM 0 H GLU A 114 -3.464 -7.857 6.876 1.00 8.94 H new ATOM 0 HA GLU A 114 -2.979 -9.909 8.882 1.00 10.00 H new ATOM 0 HB2 GLU A 114 -4.544 -7.301 8.800 1.00 10.43 H new ATOM 0 HB3 GLU A 114 -4.557 -8.360 10.196 1.00 10.43 H new ATOM 0 HG2 GLU A 114 -2.095 -8.118 10.405 1.00 10.39 H new ATOM 0 HG3 GLU A 114 -2.078 -7.064 9.005 1.00 10.39 H new ATOM 1732 N LYS A 115 -5.757 -9.667 7.206 1.00 10.04 N ATOM 1733 CA LYS A 115 -7.046 -10.298 6.890 1.00 10.61 C ATOM 1734 C LYS A 115 -6.871 -11.601 6.125 1.00 10.14 C ATOM 1735 O LYS A 115 -7.639 -12.552 6.296 1.00 10.70 O ATOM 1736 CB LYS A 115 -7.933 -9.353 6.068 1.00 11.03 C ATOM 1737 CG LYS A 115 -7.226 -8.791 4.831 1.00 10.36 C ATOM 1738 CD LYS A 115 -7.108 -7.267 4.875 1.00 10.71 C ATOM 1739 CE LYS A 115 -6.112 -6.798 5.935 1.00 10.61 C ATOM 1740 NZ LYS A 115 -4.701 -6.951 5.482 1.00 10.83 N ATOM 0 H LYS A 115 -5.479 -8.943 6.544 1.00 10.04 H new ATOM 0 HA LYS A 115 -7.526 -10.516 7.844 1.00 10.61 H new ATOM 0 HB2 LYS A 115 -8.830 -9.887 5.755 1.00 11.03 H new ATOM 0 HB3 LYS A 115 -8.258 -8.527 6.701 1.00 11.03 H new ATOM 0 HG2 LYS A 115 -6.231 -9.229 4.753 1.00 10.36 H new ATOM 0 HG3 LYS A 115 -7.774 -9.085 3.936 1.00 10.36 H new ATOM 0 HD2 LYS A 115 -6.796 -6.900 3.897 1.00 10.71 H new ATOM 0 HD3 LYS A 115 -8.087 -6.834 5.081 1.00 10.71 H new ATOM 0 HE2 LYS A 115 -6.304 -5.752 6.175 1.00 10.61 H new ATOM 0 HE3 LYS A 115 -6.262 -7.369 6.851 1.00 10.61 H new ATOM 0 HZ1 LYS A 115 -4.058 -6.669 6.249 1.00 10.83 H new ATOM 0 HZ2 LYS A 115 -4.524 -7.944 5.228 1.00 10.83 H new ATOM 0 HZ3 LYS A 115 -4.535 -6.347 4.652 1.00 10.83 H new ATOM 1754 N LEU A 116 -5.845 -11.610 5.285 1.00 9.19 N ATOM 1755 CA LEU A 116 -5.525 -12.743 4.432 1.00 8.69 C ATOM 1756 C LEU A 116 -5.145 -13.990 5.238 1.00 9.07 C ATOM 1757 O LEU A 116 -4.198 -13.963 6.033 1.00 9.05 O ATOM 1758 CB LEU A 116 -4.381 -12.370 3.499 1.00 7.40 C ATOM 1759 CG LEU A 116 -4.777 -11.789 2.130 1.00 6.84 C ATOM 1760 CD1 LEU A 116 -5.236 -10.339 2.250 1.00 6.44 C ATOM 1761 CD2 LEU A 116 -3.610 -11.891 1.158 1.00 6.43 C ATOM 0 H LEU A 116 -5.206 -10.822 5.177 1.00 9.19 H new ATOM 0 HA LEU A 116 -6.420 -12.985 3.858 1.00 8.69 H new ATOM 0 HB2 LEU A 116 -3.748 -11.644 4.008 1.00 7.40 H new ATOM 0 HB3 LEU A 116 -3.774 -13.259 3.330 1.00 7.40 H new ATOM 0 HG LEU A 116 -5.614 -12.374 1.749 1.00 6.84 H new ATOM 0 HD11 LEU A 116 -5.508 -9.961 1.265 1.00 6.44 H new ATOM 0 HD12 LEU A 116 -6.101 -10.285 2.911 1.00 6.44 H new ATOM 0 HD13 LEU A 116 -4.427 -9.734 2.660 1.00 6.44 H new ATOM 0 HD21 LEU A 116 -3.903 -11.477 0.193 1.00 6.43 H new ATOM 0 HD22 LEU A 116 -2.760 -11.332 1.550 1.00 6.43 H new ATOM 0 HD23 LEU A 116 -3.330 -12.937 1.034 1.00 6.43 H new ATOM 1773 N THR A 117 -5.899 -15.066 5.028 1.00 9.56 N ATOM 1774 CA THR A 117 -5.672 -16.321 5.713 1.00 10.01 C ATOM 1775 C THR A 117 -5.043 -17.380 4.847 1.00 9.24 C ATOM 1776 O THR A 117 -4.655 -17.156 3.701 1.00 8.29 O ATOM 1777 CB THR A 117 -6.963 -16.930 6.284 1.00 11.26 C ATOM 1778 OG1 THR A 117 -8.039 -16.809 5.344 1.00 11.46 O ATOM 1779 CG2 THR A 117 -7.312 -16.247 7.570 1.00 12.18 C ATOM 0 H THR A 117 -6.683 -15.085 4.376 1.00 9.56 H new ATOM 0 HA THR A 117 -4.987 -16.046 6.515 1.00 10.01 H new ATOM 0 HB THR A 117 -6.800 -17.991 6.474 1.00 11.26 H new ATOM 0 HG1 THR A 117 -8.851 -17.204 5.724 1.00 11.46 H new ATOM 0 HG21 THR A 117 -8.227 -16.679 7.975 1.00 12.18 H new ATOM 0 HG22 THR A 117 -6.500 -16.381 8.285 1.00 12.18 H new ATOM 0 HG23 THR A 117 -7.463 -15.183 7.388 1.00 12.18 H new ATOM 1787 N ASP A 118 -4.941 -18.541 5.474 1.00 9.74 N ATOM 1788 CA ASP A 118 -4.419 -19.759 4.887 1.00 9.28 C ATOM 1789 C ASP A 118 -5.288 -20.259 3.752 1.00 9.42 C ATOM 1790 O ASP A 118 -4.799 -20.907 2.825 1.00 8.80 O ATOM 1791 CB ASP A 118 -4.367 -20.792 5.990 1.00 10.08 C ATOM 1792 CG ASP A 118 -3.073 -20.754 6.779 1.00 9.81 C ATOM 1793 OD1 ASP A 118 -2.826 -19.740 7.465 1.00 9.86 O ATOM 1794 OD2 ASP A 118 -2.310 -21.740 6.714 1.00 9.76 O ATOM 0 H ASP A 118 -5.232 -18.663 6.444 1.00 9.74 H new ATOM 0 HA ASP A 118 -3.432 -19.569 4.465 1.00 9.28 H new ATOM 0 HB2 ASP A 118 -5.205 -20.632 6.669 1.00 10.08 H new ATOM 0 HB3 ASP A 118 -4.493 -21.784 5.557 1.00 10.08 H new ATOM 1799 N GLU A 119 -6.578 -19.947 3.839 1.00 10.37 N ATOM 1800 CA GLU A 119 -7.536 -20.323 2.807 1.00 10.83 C ATOM 1801 C GLU A 119 -7.250 -19.556 1.528 1.00 10.04 C ATOM 1802 O GLU A 119 -7.666 -19.962 0.441 1.00 10.27 O ATOM 1803 CB GLU A 119 -8.982 -20.108 3.266 1.00 12.10 C ATOM 1804 CG GLU A 119 -9.452 -21.111 4.310 1.00 13.08 C ATOM 1805 CD GLU A 119 -10.886 -20.873 4.743 1.00 14.16 C ATOM 1806 OE1 GLU A 119 -11.799 -21.448 4.113 1.00 14.50 O ATOM 1807 OE2 GLU A 119 -11.096 -20.112 5.711 1.00 14.78 O ATOM 0 H GLU A 119 -6.985 -19.431 4.619 1.00 10.37 H new ATOM 0 HA GLU A 119 -7.420 -21.389 2.612 1.00 10.83 H new ATOM 0 HB2 GLU A 119 -9.078 -19.102 3.674 1.00 12.10 H new ATOM 0 HB3 GLU A 119 -9.640 -20.165 2.399 1.00 12.10 H new ATOM 0 HG2 GLU A 119 -9.361 -22.119 3.907 1.00 13.08 H new ATOM 0 HG3 GLU A 119 -8.799 -21.056 5.181 1.00 13.08 H new ATOM 1814 N GLU A 120 -6.533 -18.434 1.684 1.00 9.24 N ATOM 1815 CA GLU A 120 -6.081 -17.639 0.551 1.00 8.40 C ATOM 1816 C GLU A 120 -5.014 -18.460 -0.155 1.00 7.57 C ATOM 1817 O GLU A 120 -4.979 -18.530 -1.377 1.00 7.44 O ATOM 1818 CB GLU A 120 -5.483 -16.289 0.998 1.00 7.71 C ATOM 1819 CG GLU A 120 -5.433 -15.212 -0.087 1.00 7.14 C ATOM 1820 CD GLU A 120 -6.805 -14.703 -0.504 1.00 8.10 C ATOM 1821 OE1 GLU A 120 -7.286 -13.726 0.107 1.00 8.52 O ATOM 1822 OE2 GLU A 120 -7.394 -15.284 -1.440 1.00 8.58 O ATOM 0 H GLU A 120 -6.256 -18.061 2.592 1.00 9.24 H new ATOM 0 HA GLU A 120 -6.924 -17.411 -0.102 1.00 8.40 H new ATOM 0 HB2 GLU A 120 -6.066 -15.911 1.837 1.00 7.71 H new ATOM 0 HB3 GLU A 120 -4.471 -16.461 1.365 1.00 7.71 H new ATOM 0 HG2 GLU A 120 -4.837 -14.373 0.273 1.00 7.14 H new ATOM 0 HG3 GLU A 120 -4.922 -15.613 -0.962 1.00 7.14 H new ATOM 1829 N VAL A 121 -4.172 -19.137 0.649 1.00 7.19 N ATOM 1830 CA VAL A 121 -3.123 -19.961 0.126 1.00 6.42 C ATOM 1831 C VAL A 121 -3.675 -21.269 -0.448 1.00 7.15 C ATOM 1832 O VAL A 121 -3.348 -21.631 -1.575 1.00 6.95 O ATOM 1833 CB VAL A 121 -2.072 -20.227 1.224 1.00 5.97 C ATOM 1834 CG1 VAL A 121 -0.860 -20.871 0.627 1.00 5.00 C ATOM 1835 CG2 VAL A 121 -1.679 -18.935 1.937 1.00 5.72 C ATOM 0 H VAL A 121 -4.218 -19.113 1.668 1.00 7.19 H new ATOM 0 HA VAL A 121 -2.641 -19.432 -0.696 1.00 6.42 H new ATOM 0 HB VAL A 121 -2.513 -20.899 1.960 1.00 5.97 H new ATOM 0 HG11 VAL A 121 -0.123 -21.055 1.409 1.00 5.00 H new ATOM 0 HG12 VAL A 121 -1.141 -21.817 0.164 1.00 5.00 H new ATOM 0 HG13 VAL A 121 -0.431 -20.211 -0.127 1.00 5.00 H new ATOM 0 HG21 VAL A 121 -0.937 -19.154 2.705 1.00 5.72 H new ATOM 0 HG22 VAL A 121 -1.258 -18.235 1.215 1.00 5.72 H new ATOM 0 HG23 VAL A 121 -2.561 -18.492 2.400 1.00 5.72 H new ATOM 1845 N ASP A 122 -4.539 -21.938 0.320 1.00 8.17 N ATOM 1846 CA ASP A 122 -5.161 -23.217 -0.104 1.00 9.00 C ATOM 1847 C ASP A 122 -5.991 -23.041 -1.376 1.00 9.58 C ATOM 1848 O ASP A 122 -6.200 -23.995 -2.126 1.00 10.07 O ATOM 1849 CB ASP A 122 -6.035 -23.802 1.010 1.00 10.08 C ATOM 1850 CG ASP A 122 -5.227 -24.254 2.213 1.00 9.97 C ATOM 1851 OD1 ASP A 122 -5.159 -23.495 3.202 1.00 10.09 O ATOM 1852 OD2 ASP A 122 -4.664 -25.368 2.165 1.00 9.98 O ATOM 0 H ASP A 122 -4.831 -21.622 1.245 1.00 8.17 H new ATOM 0 HA ASP A 122 -4.349 -23.913 -0.316 1.00 9.00 H new ATOM 0 HB2 ASP A 122 -6.762 -23.054 1.326 1.00 10.08 H new ATOM 0 HB3 ASP A 122 -6.599 -24.648 0.617 1.00 10.08 H new ATOM 1857 N GLU A 123 -6.445 -21.802 -1.600 1.00 9.61 N ATOM 1858 CA GLU A 123 -7.232 -21.440 -2.785 1.00 10.24 C ATOM 1859 C GLU A 123 -6.323 -21.369 -4.020 1.00 9.65 C ATOM 1860 O GLU A 123 -6.710 -21.803 -5.109 1.00 10.36 O ATOM 1861 CB GLU A 123 -7.939 -20.095 -2.566 1.00 10.45 C ATOM 1862 CG GLU A 123 -9.248 -19.951 -3.332 1.00 11.70 C ATOM 1863 CD GLU A 123 -9.919 -18.613 -3.093 1.00 11.94 C ATOM 1864 OE1 GLU A 123 -9.637 -17.663 -3.853 1.00 12.02 O ATOM 1865 OE2 GLU A 123 -10.727 -18.514 -2.146 1.00 12.16 O ATOM 0 H GLU A 123 -6.277 -21.022 -0.965 1.00 9.61 H new ATOM 0 HA GLU A 123 -7.989 -22.206 -2.950 1.00 10.24 H new ATOM 0 HB2 GLU A 123 -8.137 -19.969 -1.502 1.00 10.45 H new ATOM 0 HB3 GLU A 123 -7.266 -19.290 -2.862 1.00 10.45 H new ATOM 0 HG2 GLU A 123 -9.056 -20.072 -4.398 1.00 11.70 H new ATOM 0 HG3 GLU A 123 -9.927 -20.751 -3.038 1.00 11.70 H new ATOM 1872 N MET A 124 -5.113 -20.810 -3.832 1.00 8.45 N ATOM 1873 CA MET A 124 -4.126 -20.699 -4.905 1.00 7.91 C ATOM 1874 C MET A 124 -3.281 -21.958 -5.030 1.00 7.70 C ATOM 1875 O MET A 124 -2.654 -22.187 -6.069 1.00 7.76 O ATOM 1876 CB MET A 124 -3.219 -19.489 -4.683 1.00 6.78 C ATOM 1877 CG MET A 124 -3.648 -18.260 -5.468 1.00 6.98 C ATOM 1878 SD MET A 124 -3.528 -16.734 -4.515 1.00 6.62 S ATOM 1879 CE MET A 124 -4.964 -16.898 -3.461 1.00 7.40 C ATOM 0 H MET A 124 -4.801 -20.428 -2.939 1.00 8.45 H new ATOM 0 HA MET A 124 -4.679 -20.569 -5.835 1.00 7.91 H new ATOM 0 HB2 MET A 124 -3.204 -19.245 -3.621 1.00 6.78 H new ATOM 0 HB3 MET A 124 -2.199 -19.752 -4.964 1.00 6.78 H new ATOM 0 HG2 MET A 124 -3.030 -18.173 -6.361 1.00 6.98 H new ATOM 0 HG3 MET A 124 -4.677 -18.392 -5.804 1.00 6.98 H new ATOM 0 HE1 MET A 124 -5.657 -16.081 -3.661 1.00 7.40 H new ATOM 0 HE2 MET A 124 -5.457 -17.849 -3.663 1.00 7.40 H new ATOM 0 HE3 MET A 124 -4.654 -16.864 -2.416 1.00 7.40 H new ATOM 1889 N ILE A 125 -3.267 -22.770 -3.967 1.00 7.60 N ATOM 1890 CA ILE A 125 -2.504 -24.012 -3.949 1.00 7.41 C ATOM 1891 C ILE A 125 -3.009 -25.002 -4.995 1.00 8.49 C ATOM 1892 O ILE A 125 -2.216 -25.605 -5.723 1.00 8.45 O ATOM 1893 CB ILE A 125 -2.471 -24.666 -2.559 1.00 7.24 C ATOM 1894 CG1 ILE A 125 -1.541 -23.891 -1.634 1.00 6.16 C ATOM 1895 CG2 ILE A 125 -1.965 -26.064 -2.702 1.00 7.27 C ATOM 1896 CD1 ILE A 125 -1.833 -24.066 -0.173 1.00 6.48 C ATOM 0 H ILE A 125 -3.780 -22.583 -3.106 1.00 7.60 H new ATOM 0 HA ILE A 125 -1.480 -23.739 -4.203 1.00 7.41 H new ATOM 0 HB ILE A 125 -3.475 -24.664 -2.134 1.00 7.24 H new ATOM 0 HG12 ILE A 125 -0.514 -24.203 -1.827 1.00 6.16 H new ATOM 0 HG13 ILE A 125 -1.604 -22.831 -1.880 1.00 6.16 H new ATOM 0 HG21 ILE A 125 -1.936 -26.542 -1.723 1.00 7.27 H new ATOM 0 HG22 ILE A 125 -2.628 -26.625 -3.360 1.00 7.27 H new ATOM 0 HG23 ILE A 125 -0.962 -26.046 -3.127 1.00 7.27 H new ATOM 0 HD11 ILE A 125 -1.124 -23.480 0.412 1.00 6.48 H new ATOM 0 HD12 ILE A 125 -2.847 -23.726 0.039 1.00 6.48 H new ATOM 0 HD13 ILE A 125 -1.740 -25.119 0.093 1.00 6.48 H new ATOM 1908 N ARG A 126 -4.327 -25.179 -5.018 1.00 9.53 N ATOM 1909 CA ARG A 126 -5.017 -26.052 -5.993 1.00 10.70 C ATOM 1910 C ARG A 126 -4.490 -25.790 -7.407 1.00 10.89 C ATOM 1911 O ARG A 126 -4.341 -26.716 -8.209 1.00 11.45 O ATOM 1912 CB ARG A 126 -6.533 -25.801 -5.992 1.00 11.76 C ATOM 1913 CG ARG A 126 -7.184 -25.748 -4.618 1.00 12.03 C ATOM 1914 CD ARG A 126 -8.027 -24.493 -4.482 1.00 12.20 C ATOM 1915 NE ARG A 126 -8.707 -24.419 -3.184 1.00 12.92 N ATOM 1916 CZ ARG A 126 -9.791 -23.672 -2.930 1.00 13.50 C ATOM 1917 NH1 ARG A 126 -10.344 -22.917 -3.878 1.00 13.44 N ATOM 1918 NH2 ARG A 126 -10.324 -23.683 -1.716 1.00 14.26 N ATOM 0 H ARG A 126 -4.960 -24.723 -4.361 1.00 9.53 H new ATOM 0 HA ARG A 126 -4.821 -27.083 -5.699 1.00 10.70 H new ATOM 0 HB2 ARG A 126 -6.729 -24.859 -6.505 1.00 11.76 H new ATOM 0 HB3 ARG A 126 -7.015 -26.587 -6.574 1.00 11.76 H new ATOM 0 HG2 ARG A 126 -7.807 -26.630 -4.469 1.00 12.03 H new ATOM 0 HG3 ARG A 126 -6.417 -25.765 -3.844 1.00 12.03 H new ATOM 0 HD2 ARG A 126 -7.392 -23.616 -4.608 1.00 12.20 H new ATOM 0 HD3 ARG A 126 -8.769 -24.467 -5.281 1.00 12.20 H new ATOM 0 HE ARG A 126 -8.327 -24.977 -2.419 1.00 12.92 H new ATOM 0 HH11 ARG A 126 -9.943 -22.901 -4.816 1.00 13.44 H new ATOM 0 HH12 ARG A 126 -11.169 -22.355 -3.666 1.00 13.44 H new ATOM 0 HH21 ARG A 126 -9.909 -24.257 -0.982 1.00 14.26 H new ATOM 0 HH22 ARG A 126 -11.149 -23.117 -1.516 1.00 14.26 H new ATOM 1932 N GLU A 127 -4.214 -24.502 -7.687 1.00 10.50 N ATOM 1933 CA GLU A 127 -3.674 -24.076 -8.974 1.00 10.79 C ATOM 1934 C GLU A 127 -2.156 -24.255 -9.022 1.00 10.06 C ATOM 1935 O GLU A 127 -1.595 -24.505 -10.092 1.00 10.61 O ATOM 1936 CB GLU A 127 -4.031 -22.617 -9.233 1.00 10.70 C ATOM 1937 CG GLU A 127 -5.505 -22.375 -9.555 1.00 11.77 C ATOM 1938 CD GLU A 127 -5.861 -22.705 -10.994 1.00 12.85 C ATOM 1939 OE1 GLU A 127 -6.235 -23.866 -11.262 1.00 13.26 O ATOM 1940 OE2 GLU A 127 -5.765 -21.801 -11.852 1.00 13.42 O ATOM 0 H GLU A 127 -4.361 -23.739 -7.026 1.00 10.50 H new ATOM 0 HA GLU A 127 -4.117 -24.701 -9.750 1.00 10.79 H new ATOM 0 HB2 GLU A 127 -3.762 -22.029 -8.356 1.00 10.70 H new ATOM 0 HB3 GLU A 127 -3.426 -22.249 -10.061 1.00 10.70 H new ATOM 0 HG2 GLU A 127 -6.121 -22.978 -8.887 1.00 11.77 H new ATOM 0 HG3 GLU A 127 -5.748 -21.331 -9.357 1.00 11.77 H new ATOM 1947 N ALA A 128 -1.493 -24.119 -7.851 1.00 8.89 N ATOM 1948 CA ALA A 128 -0.035 -24.287 -7.745 1.00 8.16 C ATOM 1949 C ALA A 128 0.389 -25.688 -8.213 1.00 8.57 C ATOM 1950 O ALA A 128 1.072 -25.827 -9.231 1.00 8.66 O ATOM 1951 CB ALA A 128 0.414 -24.025 -6.312 1.00 6.87 C ATOM 0 H ALA A 128 -1.950 -23.893 -6.968 1.00 8.89 H new ATOM 0 HA ALA A 128 0.452 -23.562 -8.398 1.00 8.16 H new ATOM 0 HB1 ALA A 128 1.494 -24.151 -6.240 1.00 6.87 H new ATOM 0 HB2 ALA A 128 0.148 -23.007 -6.028 1.00 6.87 H new ATOM 0 HB3 ALA A 128 -0.079 -24.729 -5.642 1.00 6.87 H new ATOM 1957 N ALA A 129 -0.048 -26.722 -7.459 1.00 8.95 N ATOM 1958 CA ALA A 129 0.212 -28.153 -7.760 1.00 9.43 C ATOM 1959 C ALA A 129 1.693 -28.536 -7.979 1.00 8.51 C ATOM 1960 O ALA A 129 1.986 -29.714 -8.224 1.00 8.76 O ATOM 1961 CB ALA A 129 -0.618 -28.587 -8.961 1.00 10.42 C ATOM 0 H ALA A 129 -0.599 -26.587 -6.612 1.00 8.95 H new ATOM 0 HA ALA A 129 -0.084 -28.687 -6.857 1.00 9.43 H new ATOM 0 HB1 ALA A 129 -0.423 -29.637 -9.177 1.00 10.42 H new ATOM 0 HB2 ALA A 129 -1.677 -28.452 -8.739 1.00 10.42 H new ATOM 0 HB3 ALA A 129 -0.349 -27.982 -9.827 1.00 10.42 H new ATOM 1967 N ILE A 130 2.621 -27.564 -7.889 1.00 7.54 N ATOM 1968 CA ILE A 130 4.062 -27.832 -8.090 1.00 6.69 C ATOM 1969 C ILE A 130 4.551 -28.924 -7.133 1.00 6.68 C ATOM 1970 O ILE A 130 4.151 -28.961 -5.966 1.00 6.97 O ATOM 1971 CB ILE A 130 4.988 -26.585 -7.933 1.00 5.80 C ATOM 1972 CG1 ILE A 130 4.201 -25.245 -7.964 1.00 5.43 C ATOM 1973 CG2 ILE A 130 6.049 -26.613 -9.038 1.00 6.19 C ATOM 1974 CD1 ILE A 130 5.002 -24.016 -7.549 1.00 4.53 C ATOM 0 H ILE A 130 2.402 -26.590 -7.680 1.00 7.54 H new ATOM 0 HA ILE A 130 4.136 -28.154 -9.129 1.00 6.69 H new ATOM 0 HB ILE A 130 5.462 -26.637 -6.953 1.00 5.80 H new ATOM 0 HG12 ILE A 130 3.821 -25.088 -8.973 1.00 5.43 H new ATOM 0 HG13 ILE A 130 3.335 -25.334 -7.307 1.00 5.43 H new ATOM 0 HG21 ILE A 130 6.702 -25.746 -8.938 1.00 6.19 H new ATOM 0 HG22 ILE A 130 6.641 -27.524 -8.951 1.00 6.19 H new ATOM 0 HG23 ILE A 130 5.561 -26.589 -10.012 1.00 6.19 H new ATOM 0 HD11 ILE A 130 4.366 -23.132 -7.603 1.00 4.53 H new ATOM 0 HD12 ILE A 130 5.360 -24.143 -6.527 1.00 4.53 H new ATOM 0 HD13 ILE A 130 5.853 -23.893 -8.219 1.00 4.53 H new ATOM 1986 N ASP A 131 5.416 -29.805 -7.648 1.00 6.58 N ATOM 1987 CA ASP A 131 5.936 -30.930 -6.880 1.00 6.68 C ATOM 1988 C ASP A 131 7.392 -31.255 -7.257 1.00 6.59 C ATOM 1989 O ASP A 131 7.991 -30.583 -8.103 1.00 6.80 O ATOM 1990 CB ASP A 131 5.030 -32.160 -7.085 1.00 7.70 C ATOM 1991 CG ASP A 131 5.025 -33.095 -5.888 1.00 7.98 C ATOM 1992 OD1 ASP A 131 5.867 -34.016 -5.851 1.00 8.18 O ATOM 1993 OD2 ASP A 131 4.178 -32.905 -4.990 1.00 8.25 O ATOM 0 H ASP A 131 5.770 -29.755 -8.603 1.00 6.58 H new ATOM 0 HA ASP A 131 5.934 -30.653 -5.826 1.00 6.68 H new ATOM 0 HB2 ASP A 131 4.012 -31.826 -7.283 1.00 7.70 H new ATOM 0 HB3 ASP A 131 5.363 -32.708 -7.966 1.00 7.70 H new ATOM 1998 N GLY A 132 7.939 -32.296 -6.611 1.00 6.49 N ATOM 1999 CA GLY A 132 9.313 -32.723 -6.839 1.00 6.52 C ATOM 2000 C GLY A 132 10.033 -32.962 -5.527 1.00 5.87 C ATOM 2001 O GLY A 132 10.680 -33.997 -5.337 1.00 6.01 O ATOM 0 H GLY A 132 7.439 -32.857 -5.922 1.00 6.49 H new ATOM 0 HA2 GLY A 132 9.320 -33.637 -7.433 1.00 6.52 H new ATOM 0 HA3 GLY A 132 9.842 -31.964 -7.415 1.00 6.52 H new ATOM 2005 N ASP A 133 9.907 -31.984 -4.630 1.00 5.34 N ATOM 2006 CA ASP A 133 10.499 -32.025 -3.299 1.00 4.95 C ATOM 2007 C ASP A 133 9.377 -32.067 -2.306 1.00 4.57 C ATOM 2008 O ASP A 133 9.492 -32.610 -1.203 1.00 4.65 O ATOM 2009 CB ASP A 133 11.282 -30.763 -3.014 1.00 4.99 C ATOM 2010 CG ASP A 133 12.590 -31.027 -2.295 1.00 5.63 C ATOM 2011 OD1 ASP A 133 13.615 -31.228 -2.981 1.00 6.07 O ATOM 2012 OD2 ASP A 133 12.591 -31.033 -1.046 1.00 5.97 O ATOM 0 H ASP A 133 9.382 -31.129 -4.814 1.00 5.34 H new ATOM 0 HA ASP A 133 11.159 -32.890 -3.234 1.00 4.95 H new ATOM 0 HB2 ASP A 133 11.487 -30.250 -3.953 1.00 4.99 H new ATOM 0 HB3 ASP A 133 10.671 -30.092 -2.411 1.00 4.99 H new ATOM 2017 N GLY A 134 8.282 -31.464 -2.755 1.00 4.47 N ATOM 2018 CA GLY A 134 7.110 -31.336 -1.967 1.00 4.33 C ATOM 2019 C GLY A 134 6.919 -29.923 -1.447 1.00 3.73 C ATOM 2020 O GLY A 134 6.488 -29.721 -0.309 1.00 3.75 O ATOM 0 H GLY A 134 8.205 -31.055 -3.686 1.00 4.47 H new ATOM 0 HA2 GLY A 134 6.242 -31.623 -2.561 1.00 4.33 H new ATOM 0 HA3 GLY A 134 7.163 -32.027 -1.125 1.00 4.33 H new ATOM 2024 N GLN A 135 7.248 -28.948 -2.306 1.00 3.55 N ATOM 2025 CA GLN A 135 7.140 -27.523 -1.981 1.00 3.33 C ATOM 2026 C GLN A 135 6.493 -26.755 -3.140 1.00 3.69 C ATOM 2027 O GLN A 135 5.962 -27.356 -4.079 1.00 4.33 O ATOM 2028 CB GLN A 135 8.528 -26.929 -1.714 1.00 3.82 C ATOM 2029 CG GLN A 135 9.366 -27.675 -0.676 1.00 4.41 C ATOM 2030 CD GLN A 135 10.747 -27.075 -0.499 1.00 5.26 C ATOM 2031 OE1 GLN A 135 10.955 -26.202 0.343 1.00 5.74 O ATOM 2032 NE2 GLN A 135 11.702 -27.542 -1.295 1.00 5.78 N ATOM 0 H GLN A 135 7.597 -29.128 -3.247 1.00 3.55 H new ATOM 0 HA GLN A 135 6.521 -27.430 -1.089 1.00 3.33 H new ATOM 0 HB2 GLN A 135 9.081 -26.902 -2.653 1.00 3.82 H new ATOM 0 HB3 GLN A 135 8.407 -25.897 -1.386 1.00 3.82 H new ATOM 0 HG2 GLN A 135 8.845 -27.665 0.281 1.00 4.41 H new ATOM 0 HG3 GLN A 135 9.463 -28.719 -0.975 1.00 4.41 H new ATOM 0 HE21 GLN A 135 11.486 -28.267 -1.980 1.00 5.78 H new ATOM 0 HE22 GLN A 135 12.651 -27.176 -1.222 1.00 5.78 H new ATOM 2041 N VAL A 136 6.546 -25.420 -3.052 1.00 3.59 N ATOM 2042 CA VAL A 136 6.021 -24.538 -4.077 1.00 4.23 C ATOM 2043 C VAL A 136 7.030 -23.410 -4.341 1.00 4.67 C ATOM 2044 O VAL A 136 8.033 -23.288 -3.636 1.00 4.74 O ATOM 2045 CB VAL A 136 4.594 -24.016 -3.703 1.00 4.02 C ATOM 2046 CG1 VAL A 136 4.185 -22.745 -4.439 1.00 3.51 C ATOM 2047 CG2 VAL A 136 3.553 -25.109 -3.953 1.00 5.08 C ATOM 0 H VAL A 136 6.959 -24.928 -2.259 1.00 3.59 H new ATOM 0 HA VAL A 136 5.893 -25.091 -5.008 1.00 4.23 H new ATOM 0 HB VAL A 136 4.638 -23.760 -2.644 1.00 4.02 H new ATOM 0 HG11 VAL A 136 3.184 -22.448 -4.125 1.00 3.51 H new ATOM 0 HG12 VAL A 136 4.890 -21.947 -4.206 1.00 3.51 H new ATOM 0 HG13 VAL A 136 4.188 -22.930 -5.513 1.00 3.51 H new ATOM 0 HG21 VAL A 136 2.563 -24.736 -3.690 1.00 5.08 H new ATOM 0 HG22 VAL A 136 3.566 -25.390 -5.006 1.00 5.08 H new ATOM 0 HG23 VAL A 136 3.787 -25.981 -3.342 1.00 5.08 H new ATOM 2057 N ASN A 137 6.740 -22.589 -5.344 1.00 5.28 N ATOM 2058 CA ASN A 137 7.637 -21.506 -5.744 1.00 5.95 C ATOM 2059 C ASN A 137 7.035 -20.123 -5.479 1.00 5.49 C ATOM 2060 O ASN A 137 5.991 -19.981 -4.836 1.00 4.60 O ATOM 2061 CB ASN A 137 8.050 -21.633 -7.231 1.00 7.18 C ATOM 2062 CG ASN A 137 8.525 -23.025 -7.643 1.00 7.90 C ATOM 2063 OD1 ASN A 137 8.045 -24.045 -7.144 1.00 8.11 O ATOM 2064 ND2 ASN A 137 9.480 -23.068 -8.565 1.00 8.51 N ATOM 0 H ASN A 137 5.886 -22.652 -5.899 1.00 5.28 H new ATOM 0 HA ASN A 137 8.529 -21.603 -5.125 1.00 5.95 H new ATOM 0 HB2 ASN A 137 7.201 -21.354 -7.855 1.00 7.18 H new ATOM 0 HB3 ASN A 137 8.846 -20.917 -7.436 1.00 7.18 H new ATOM 0 HD21 ASN A 137 9.841 -23.967 -8.884 1.00 8.51 H new ATOM 0 HD22 ASN A 137 9.852 -22.202 -8.955 1.00 8.51 H new ATOM 2071 N TYR A 138 7.738 -19.125 -6.000 1.00 6.22 N ATOM 2072 CA TYR A 138 7.419 -17.708 -5.863 1.00 6.03 C ATOM 2073 C TYR A 138 6.808 -17.143 -7.153 1.00 6.55 C ATOM 2074 O TYR A 138 5.869 -16.347 -7.118 1.00 6.13 O ATOM 2075 CB TYR A 138 8.722 -16.956 -5.528 1.00 6.78 C ATOM 2076 CG TYR A 138 9.897 -17.537 -6.280 1.00 7.93 C ATOM 2077 CD1 TYR A 138 10.533 -16.836 -7.288 1.00 8.62 C ATOM 2078 CD2 TYR A 138 10.305 -18.839 -6.023 1.00 8.50 C ATOM 2079 CE1 TYR A 138 11.546 -17.420 -8.017 1.00 9.65 C ATOM 2080 CE2 TYR A 138 11.299 -19.419 -6.730 1.00 9.54 C ATOM 2081 CZ TYR A 138 11.928 -18.718 -7.737 1.00 10.06 C ATOM 2082 OH TYR A 138 12.939 -19.309 -8.459 1.00 11.13 O ATOM 0 H TYR A 138 8.580 -19.287 -6.552 1.00 6.22 H new ATOM 0 HA TYR A 138 6.682 -17.580 -5.070 1.00 6.03 H new ATOM 0 HB2 TYR A 138 8.611 -15.901 -5.780 1.00 6.78 H new ATOM 0 HB3 TYR A 138 8.911 -17.010 -4.456 1.00 6.78 H new ATOM 0 HD1 TYR A 138 10.233 -15.822 -7.506 1.00 8.62 H new ATOM 0 HD2 TYR A 138 9.817 -19.401 -5.240 1.00 8.50 H new ATOM 0 HE1 TYR A 138 12.039 -16.866 -8.803 1.00 9.65 H new ATOM 0 HE2 TYR A 138 11.601 -20.432 -6.507 1.00 9.54 H new ATOM 0 HH TYR A 138 13.083 -20.222 -8.133 1.00 11.13 H new ATOM 2092 N GLU A 139 7.364 -17.582 -8.293 1.00 7.59 N ATOM 2093 CA GLU A 139 6.934 -17.135 -9.629 1.00 8.39 C ATOM 2094 C GLU A 139 5.568 -17.694 -10.027 1.00 8.26 C ATOM 2095 O GLU A 139 4.862 -17.096 -10.838 1.00 8.61 O ATOM 2096 CB GLU A 139 7.961 -17.571 -10.672 1.00 9.64 C ATOM 2097 CG GLU A 139 9.283 -16.819 -10.599 1.00 10.21 C ATOM 2098 CD GLU A 139 10.276 -17.283 -11.646 1.00 11.39 C ATOM 2099 OE1 GLU A 139 11.051 -18.219 -11.356 1.00 11.90 O ATOM 2100 OE2 GLU A 139 10.279 -16.711 -12.757 1.00 11.94 O ATOM 0 H GLU A 139 8.127 -18.259 -8.315 1.00 7.59 H new ATOM 0 HA GLU A 139 6.853 -16.049 -9.588 1.00 8.39 H new ATOM 0 HB2 GLU A 139 8.155 -18.637 -10.551 1.00 9.64 H new ATOM 0 HB3 GLU A 139 7.533 -17.436 -11.665 1.00 9.64 H new ATOM 0 HG2 GLU A 139 9.098 -15.753 -10.727 1.00 10.21 H new ATOM 0 HG3 GLU A 139 9.717 -16.951 -9.608 1.00 10.21 H new ATOM 2107 N GLU A 140 5.233 -18.860 -9.483 1.00 7.94 N ATOM 2108 CA GLU A 140 3.958 -19.517 -9.778 1.00 8.10 C ATOM 2109 C GLU A 140 2.869 -19.213 -8.740 1.00 7.13 C ATOM 2110 O GLU A 140 1.695 -19.095 -9.101 1.00 7.54 O ATOM 2111 CB GLU A 140 4.157 -21.035 -9.882 1.00 8.42 C ATOM 2112 CG GLU A 140 4.858 -21.489 -11.160 1.00 9.47 C ATOM 2113 CD GLU A 140 3.928 -21.541 -12.360 1.00 9.95 C ATOM 2114 OE1 GLU A 140 3.812 -20.517 -13.066 1.00 10.29 O ATOM 2115 OE2 GLU A 140 3.319 -22.606 -12.593 1.00 10.17 O ATOM 0 H GLU A 140 5.828 -19.373 -8.832 1.00 7.94 H new ATOM 0 HA GLU A 140 3.616 -19.114 -10.731 1.00 8.10 H new ATOM 0 HB2 GLU A 140 4.737 -21.374 -9.023 1.00 8.42 H new ATOM 0 HB3 GLU A 140 3.184 -21.523 -9.822 1.00 8.42 H new ATOM 0 HG2 GLU A 140 5.683 -20.811 -11.376 1.00 9.47 H new ATOM 0 HG3 GLU A 140 5.291 -22.476 -10.999 1.00 9.47 H new ATOM 2122 N PHE A 141 3.255 -19.085 -7.459 1.00 5.98 N ATOM 2123 CA PHE A 141 2.292 -18.850 -6.385 1.00 5.06 C ATOM 2124 C PHE A 141 1.924 -17.380 -6.160 1.00 4.76 C ATOM 2125 O PHE A 141 0.764 -17.002 -6.354 1.00 5.06 O ATOM 2126 CB PHE A 141 2.773 -19.504 -5.085 1.00 3.97 C ATOM 2127 CG PHE A 141 1.648 -20.034 -4.264 1.00 3.73 C ATOM 2128 CD1 PHE A 141 1.253 -21.354 -4.380 1.00 3.83 C ATOM 2129 CD2 PHE A 141 0.984 -19.203 -3.389 1.00 4.10 C ATOM 2130 CE1 PHE A 141 0.196 -21.841 -3.633 1.00 4.24 C ATOM 2131 CE2 PHE A 141 -0.066 -19.675 -2.642 1.00 4.47 C ATOM 2132 CZ PHE A 141 -0.462 -20.986 -2.766 1.00 4.52 C ATOM 0 H PHE A 141 4.225 -19.141 -7.149 1.00 5.98 H new ATOM 0 HA PHE A 141 1.366 -19.321 -6.714 1.00 5.06 H new ATOM 0 HB2 PHE A 141 3.459 -20.317 -5.323 1.00 3.97 H new ATOM 0 HB3 PHE A 141 3.333 -18.774 -4.500 1.00 3.97 H new ATOM 0 HD1 PHE A 141 1.775 -22.011 -5.060 1.00 3.83 H new ATOM 0 HD2 PHE A 141 1.292 -18.173 -3.290 1.00 4.10 H new ATOM 0 HE1 PHE A 141 -0.111 -22.872 -3.725 1.00 4.24 H new ATOM 0 HE2 PHE A 141 -0.581 -19.017 -1.957 1.00 4.47 H new ATOM 0 HZ PHE A 141 -1.294 -21.352 -2.182 1.00 4.52 H new ATOM 2142 N VAL A 142 2.898 -16.567 -5.748 1.00 4.40 N ATOM 2143 CA VAL A 142 2.672 -15.116 -5.485 1.00 4.15 C ATOM 2144 C VAL A 142 2.140 -14.439 -6.729 1.00 5.25 C ATOM 2145 O VAL A 142 1.245 -13.595 -6.666 1.00 5.25 O ATOM 2146 CB VAL A 142 3.941 -14.332 -5.056 1.00 4.09 C ATOM 2147 CG1 VAL A 142 3.595 -13.262 -4.036 1.00 3.37 C ATOM 2148 CG2 VAL A 142 5.018 -15.245 -4.525 1.00 3.96 C ATOM 0 H VAL A 142 3.857 -16.874 -5.585 1.00 4.40 H new ATOM 0 HA VAL A 142 1.964 -15.093 -4.657 1.00 4.15 H new ATOM 0 HB VAL A 142 4.337 -13.848 -5.949 1.00 4.09 H new ATOM 0 HG11 VAL A 142 4.500 -12.726 -3.750 1.00 3.37 H new ATOM 0 HG12 VAL A 142 2.881 -12.563 -4.470 1.00 3.37 H new ATOM 0 HG13 VAL A 142 3.156 -13.728 -3.154 1.00 3.37 H new ATOM 0 HG21 VAL A 142 5.887 -14.653 -4.237 1.00 3.96 H new ATOM 0 HG22 VAL A 142 4.642 -15.784 -3.656 1.00 3.96 H new ATOM 0 HG23 VAL A 142 5.304 -15.958 -5.298 1.00 3.96 H new ATOM 2158 N GLN A 143 2.723 -14.814 -7.863 1.00 6.26 N ATOM 2159 CA GLN A 143 2.294 -14.280 -9.156 1.00 7.42 C ATOM 2160 C GLN A 143 0.823 -14.607 -9.421 1.00 7.74 C ATOM 2161 O GLN A 143 0.135 -13.858 -10.121 1.00 8.48 O ATOM 2162 CB GLN A 143 3.177 -14.806 -10.289 1.00 8.47 C ATOM 2163 CG GLN A 143 3.342 -13.832 -11.449 1.00 9.24 C ATOM 2164 CD GLN A 143 4.224 -14.385 -12.551 1.00 10.23 C ATOM 2165 OE1 GLN A 143 3.743 -15.031 -13.482 1.00 10.70 O ATOM 2166 NE2 GLN A 143 5.524 -14.132 -12.451 1.00 10.74 N ATOM 0 H GLN A 143 3.491 -15.483 -7.916 1.00 6.26 H new ATOM 0 HA GLN A 143 2.401 -13.196 -9.121 1.00 7.42 H new ATOM 0 HB2 GLN A 143 4.161 -15.046 -9.887 1.00 8.47 H new ATOM 0 HB3 GLN A 143 2.751 -15.736 -10.666 1.00 8.47 H new ATOM 0 HG2 GLN A 143 2.361 -13.591 -11.859 1.00 9.24 H new ATOM 0 HG3 GLN A 143 3.770 -12.900 -11.079 1.00 9.24 H new ATOM 0 HE21 GLN A 143 5.879 -13.592 -11.662 1.00 10.74 H new ATOM 0 HE22 GLN A 143 6.167 -14.478 -13.163 1.00 10.74 H new ATOM 2175 N MET A 144 0.352 -15.729 -8.856 1.00 7.32 N ATOM 2176 CA MET A 144 -1.039 -16.125 -9.007 1.00 7.88 C ATOM 2177 C MET A 144 -1.928 -15.522 -7.933 1.00 7.37 C ATOM 2178 O MET A 144 -3.154 -15.676 -7.948 1.00 8.01 O ATOM 2179 CB MET A 144 -1.188 -17.642 -9.065 1.00 8.04 C ATOM 2180 CG MET A 144 -2.129 -18.112 -10.161 1.00 9.33 C ATOM 2181 SD MET A 144 -2.908 -19.689 -9.779 1.00 9.76 S ATOM 2182 CE MET A 144 -4.310 -19.160 -8.793 1.00 9.64 C ATOM 0 H MET A 144 0.916 -16.368 -8.296 1.00 7.32 H new ATOM 0 HA MET A 144 -1.377 -15.723 -9.962 1.00 7.88 H new ATOM 0 HB2 MET A 144 -0.207 -18.091 -9.221 1.00 8.04 H new ATOM 0 HB3 MET A 144 -1.554 -18.001 -8.103 1.00 8.04 H new ATOM 0 HG2 MET A 144 -2.901 -17.359 -10.319 1.00 9.33 H new ATOM 0 HG3 MET A 144 -1.575 -18.202 -11.096 1.00 9.33 H new ATOM 0 HE1 MET A 144 -4.474 -19.870 -7.983 1.00 9.64 H new ATOM 0 HE2 MET A 144 -4.110 -18.173 -8.375 1.00 9.64 H new ATOM 0 HE3 MET A 144 -5.200 -19.114 -9.421 1.00 9.64 H new ATOM 2192 N MET A 145 -1.279 -14.834 -7.023 1.00 6.37 N ATOM 2193 CA MET A 145 -1.960 -14.128 -5.937 1.00 5.88 C ATOM 2194 C MET A 145 -2.109 -12.662 -6.342 1.00 6.25 C ATOM 2195 O MET A 145 -2.935 -11.924 -5.798 1.00 6.33 O ATOM 2196 CB MET A 145 -1.251 -14.324 -4.571 1.00 4.66 C ATOM 2197 CG MET A 145 -0.208 -13.279 -4.208 1.00 3.68 C ATOM 2198 SD MET A 145 -0.927 -11.780 -3.508 1.00 3.52 S ATOM 2199 CE MET A 145 0.389 -10.606 -3.818 1.00 3.45 C ATOM 0 H MET A 145 -0.263 -14.741 -7.005 1.00 6.37 H new ATOM 0 HA MET A 145 -2.953 -14.550 -5.784 1.00 5.88 H new ATOM 0 HB2 MET A 145 -2.010 -14.339 -3.789 1.00 4.66 H new ATOM 0 HB3 MET A 145 -0.772 -15.303 -4.569 1.00 4.66 H new ATOM 0 HG2 MET A 145 0.494 -13.707 -3.492 1.00 3.68 H new ATOM 0 HG3 MET A 145 0.364 -13.019 -5.099 1.00 3.68 H new ATOM 0 HE1 MET A 145 0.326 -9.790 -3.098 1.00 3.45 H new ATOM 0 HE2 MET A 145 1.353 -11.105 -3.718 1.00 3.45 H new ATOM 0 HE3 MET A 145 0.290 -10.207 -4.827 1.00 3.45 H new ATOM 2209 N THR A 146 -1.275 -12.275 -7.317 1.00 6.65 N ATOM 2210 CA THR A 146 -1.280 -10.941 -7.893 1.00 7.20 C ATOM 2211 C THR A 146 -2.173 -10.942 -9.144 1.00 8.45 C ATOM 2212 O THR A 146 -2.692 -9.896 -9.545 1.00 8.99 O ATOM 2213 CB THR A 146 0.153 -10.486 -8.269 1.00 7.31 C ATOM 2214 OG1 THR A 146 1.087 -10.926 -7.273 1.00 6.44 O ATOM 2215 CG2 THR A 146 0.245 -8.967 -8.398 1.00 7.72 C ATOM 0 H THR A 146 -0.574 -12.893 -7.726 1.00 6.65 H new ATOM 0 HA THR A 146 -1.669 -10.241 -7.154 1.00 7.20 H new ATOM 0 HB THR A 146 0.394 -10.932 -9.234 1.00 7.31 H new ATOM 0 HG1 THR A 146 1.138 -11.905 -7.282 1.00 6.44 H new ATOM 0 HG21 THR A 146 1.264 -8.685 -8.662 1.00 7.72 H new ATOM 0 HG22 THR A 146 -0.439 -8.626 -9.175 1.00 7.72 H new ATOM 0 HG23 THR A 146 -0.025 -8.504 -7.449 1.00 7.72 H new ATOM 2223 N ALA A 147 -2.341 -12.138 -9.749 1.00 8.92 N ATOM 2224 CA ALA A 147 -3.177 -12.303 -10.937 1.00 10.15 C ATOM 2225 C ALA A 147 -4.597 -12.733 -10.559 1.00 10.43 C ATOM 2226 O ALA A 147 -5.563 -12.347 -11.223 1.00 11.37 O ATOM 2227 CB ALA A 147 -2.552 -13.318 -11.881 1.00 10.68 C ATOM 0 H ALA A 147 -1.903 -13.000 -9.425 1.00 8.92 H new ATOM 0 HA ALA A 147 -3.241 -11.340 -11.443 1.00 10.15 H new ATOM 0 HB1 ALA A 147 -3.183 -13.433 -12.762 1.00 10.68 H new ATOM 0 HB2 ALA A 147 -1.564 -12.972 -12.185 1.00 10.68 H new ATOM 0 HB3 ALA A 147 -2.460 -14.278 -11.374 1.00 10.68 H new ATOM 2233 N LYS A 148 -4.710 -13.536 -9.487 1.00 9.72 N ATOM 2234 CA LYS A 148 -5.995 -14.024 -9.008 1.00 10.13 C ATOM 2235 C LYS A 148 -6.085 -13.912 -7.486 1.00 9.70 C ATOM 2236 O LYS A 148 -6.975 -13.182 -7.002 1.00 9.60 O ATOM 2237 CB LYS A 148 -6.238 -15.479 -9.451 1.00 10.60 C ATOM 2238 CG LYS A 148 -6.586 -15.638 -10.929 1.00 11.38 C ATOM 2239 CD LYS A 148 -5.342 -15.831 -11.788 1.00 11.36 C ATOM 2240 CE LYS A 148 -5.691 -15.988 -13.262 1.00 12.34 C ATOM 2241 NZ LYS A 148 -6.301 -17.316 -13.558 1.00 12.59 N ATOM 2242 OXT LYS A 148 -5.260 -14.546 -6.791 1.00 9.69 O ATOM 0 H LYS A 148 -3.913 -13.858 -8.938 1.00 9.72 H new ATOM 0 HA LYS A 148 -6.771 -13.399 -9.450 1.00 10.13 H new ATOM 0 HB2 LYS A 148 -5.345 -16.066 -9.235 1.00 10.60 H new ATOM 0 HB3 LYS A 148 -7.047 -15.898 -8.853 1.00 10.60 H new ATOM 0 HG2 LYS A 148 -7.251 -16.493 -11.056 1.00 11.38 H new ATOM 0 HG3 LYS A 148 -7.130 -14.757 -11.271 1.00 11.38 H new ATOM 0 HD2 LYS A 148 -4.677 -14.977 -11.661 1.00 11.36 H new ATOM 0 HD3 LYS A 148 -4.798 -16.712 -11.447 1.00 11.36 H new ATOM 0 HE2 LYS A 148 -6.383 -15.199 -13.556 1.00 12.34 H new ATOM 0 HE3 LYS A 148 -4.790 -15.862 -13.862 1.00 12.34 H new ATOM 0 HZ1 LYS A 148 -6.506 -17.385 -14.575 1.00 12.59 H new ATOM 0 HZ2 LYS A 148 -5.639 -18.070 -13.287 1.00 12.59 H new ATOM 0 HZ3 LYS A 148 -7.184 -17.420 -13.019 1.00 12.59 H new