USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 967 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 26 THR OG1 : rot -37:sc= 1.31 USER MOD Set 1.2: A 62 THR OG1 : rot -169:sc= 0.0328 USER MOD Single : A 5 THR OG1 : rot -34:sc= -0.659 USER MOD Single : A 8 GLN : amide:sc= -0.411 K(o=-0.41,f=-1.2) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 75:sc= 1.2 USER MOD Single : A 21 LYS NZ :NH3+ -161:sc= -0.103 (180deg=-0.572) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.427 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00656 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 69:sc= 0.0951 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.0087) USER MOD Single : A 42 ASN : amide:sc= -0.0392 X(o=-0.039,f=-0.02) USER MOD Single : A 44 THR OG1 : rot -79:sc= 1.25 USER MOD Single : A 49 GLN : amide:sc=-0.00441 X(o=-0.0044,f=0) USER MOD Single : A 51 MET CE :methyl -111:sc= -0.316 (180deg=-0.924) USER MOD Single : A 53 ASN : amide:sc= -0.0937 K(o=-0.094,f=-1.8!) USER MOD Single : A 60 ASN : amide:sc= -0.196 K(o=-0.2,f=-7.5!) USER MOD Single : A 70 THR OG1 : rot 61:sc= 1.16 USER MOD Single : A 71 MET CE :methyl 177:sc= -0.0483 (180deg=-0.0768) USER MOD Single : A 72 MET CE :methyl -178:sc=-0.00922 (180deg=-0.00956) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0.394 K(o=0.39,f=-3.9!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -68:sc= 0.518 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 73:sc= 0.766 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 174:sc= 0.201 (180deg=0.158) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.0442 USER MOD Single : A 124 MET CE :methyl -165:sc= -0.101 (180deg=-0.335) USER MOD Single : A 135 GLN : amide:sc= -0.0351 X(o=-0.035,f=-0.18) USER MOD Single : A 137 ASN : amide:sc= 0.0589 K(o=0.059,f=-5!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0.16) USER MOD Single : A 144 MET CE :methyl -165:sc= -0.0299 (180deg=-0.282) USER MOD Single : A 145 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -11.828 15.348 0.798 1.00 0.00 N ATOM 59 CA THR A 5 -12.333 16.454 0.045 1.00 0.00 C ATOM 60 C THR A 5 -13.650 16.107 -0.560 1.00 0.00 C ATOM 61 O THR A 5 -14.086 14.996 -0.853 1.00 0.00 O ATOM 62 CB THR A 5 -11.395 16.982 -1.000 1.00 0.00 C ATOM 63 OG1 THR A 5 -11.096 15.881 -1.845 1.00 0.00 O ATOM 64 CG2 THR A 5 -10.083 17.486 -0.376 1.00 0.00 C ATOM 0 HA THR A 5 -12.451 17.267 0.761 1.00 0.00 H new ATOM 0 HB THR A 5 -11.853 17.817 -1.530 1.00 0.00 H new ATOM 0 HG1 THR A 5 -11.071 15.058 -1.314 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.427 17.861 -1.162 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.300 18.288 0.329 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.590 16.666 0.147 1.00 0.00 H new ATOM 72 N GLU A 6 -14.492 17.126 -0.806 1.00 0.00 N ATOM 73 CA GLU A 6 -15.862 16.957 -1.181 1.00 0.00 C ATOM 74 C GLU A 6 -15.953 16.404 -2.562 1.00 0.00 C ATOM 75 O GLU A 6 -16.915 15.684 -2.827 1.00 0.00 O ATOM 76 CB GLU A 6 -16.716 18.235 -1.124 1.00 0.00 C ATOM 77 CG GLU A 6 -17.181 18.708 0.254 1.00 0.00 C ATOM 78 CD GLU A 6 -18.355 17.919 0.815 1.00 0.00 C ATOM 79 OE1 GLU A 6 -18.965 17.045 0.143 1.00 0.00 O ATOM 80 OE2 GLU A 6 -18.709 18.245 1.980 1.00 0.00 O ATOM 0 H GLU A 6 -14.209 18.104 -0.742 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.267 16.271 -0.437 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -16.145 19.042 -1.583 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -17.600 18.078 -1.742 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -16.345 18.641 0.951 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -17.460 19.760 0.191 1.00 0.00 H new ATOM 87 N GLU A 7 -14.943 16.723 -3.390 1.00 0.00 N ATOM 88 CA GLU A 7 -14.725 16.094 -4.657 1.00 0.00 C ATOM 89 C GLU A 7 -14.461 14.640 -4.471 1.00 0.00 C ATOM 90 O GLU A 7 -15.091 13.873 -5.197 1.00 0.00 O ATOM 91 CB GLU A 7 -13.601 16.748 -5.478 1.00 0.00 C ATOM 92 CG GLU A 7 -13.387 16.219 -6.898 1.00 0.00 C ATOM 93 CD GLU A 7 -12.215 16.947 -7.540 1.00 0.00 C ATOM 94 OE1 GLU A 7 -11.128 17.073 -6.917 1.00 0.00 O ATOM 95 OE2 GLU A 7 -12.334 17.425 -8.700 1.00 0.00 O ATOM 0 H GLU A 7 -14.254 17.443 -3.171 1.00 0.00 H new ATOM 0 HA GLU A 7 -15.640 16.229 -5.234 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.804 17.817 -5.541 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.667 16.632 -4.928 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.193 15.147 -6.873 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.289 16.366 -7.492 1.00 0.00 H new ATOM 102 N GLN A 8 -13.608 14.157 -3.549 1.00 0.00 N ATOM 103 CA GLN A 8 -13.409 12.762 -3.307 1.00 0.00 C ATOM 104 C GLN A 8 -14.600 12.019 -2.807 1.00 0.00 C ATOM 105 O GLN A 8 -14.990 10.968 -3.313 1.00 0.00 O ATOM 106 CB GLN A 8 -12.207 12.599 -2.362 1.00 0.00 C ATOM 107 CG GLN A 8 -10.856 12.948 -2.990 1.00 0.00 C ATOM 108 CD GLN A 8 -10.641 12.269 -4.334 1.00 0.00 C ATOM 109 OE1 GLN A 8 -11.163 12.747 -5.340 1.00 0.00 O ATOM 110 NE2 GLN A 8 -9.879 11.142 -4.336 1.00 0.00 N ATOM 0 H GLN A 8 -13.038 14.757 -2.953 1.00 0.00 H new ATOM 0 HA GLN A 8 -13.215 12.302 -4.276 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.361 13.230 -1.487 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.175 11.568 -2.010 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.788 14.028 -3.118 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -10.057 12.657 -2.308 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.474 10.798 -3.465 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -9.712 10.641 -5.209 1.00 0.00 H new ATOM 119 N ILE A 9 -15.277 12.578 -1.788 1.00 0.00 N ATOM 120 CA ILE A 9 -16.564 12.085 -1.405 1.00 0.00 C ATOM 121 C ILE A 9 -17.545 11.952 -2.518 1.00 0.00 C ATOM 122 O ILE A 9 -18.254 10.948 -2.574 1.00 0.00 O ATOM 123 CB ILE A 9 -17.103 12.879 -0.252 1.00 0.00 C ATOM 124 CG1 ILE A 9 -16.109 13.011 0.914 1.00 0.00 C ATOM 125 CG2 ILE A 9 -18.421 12.251 0.234 1.00 0.00 C ATOM 126 CD1 ILE A 9 -16.492 14.151 1.856 1.00 0.00 C ATOM 0 H ILE A 9 -14.938 13.364 -1.234 1.00 0.00 H new ATOM 0 HA ILE A 9 -16.409 11.056 -1.082 1.00 0.00 H new ATOM 0 HB ILE A 9 -17.280 13.891 -0.615 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -16.075 12.075 1.471 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -15.107 13.185 0.521 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -18.812 12.828 1.072 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -19.147 12.254 -0.579 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -18.239 11.225 0.554 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.766 14.212 2.667 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -16.501 15.091 1.305 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -17.483 13.964 2.270 1.00 0.00 H new ATOM 138 N ALA A 10 -17.656 12.921 -3.444 1.00 0.00 N ATOM 139 CA ALA A 10 -18.523 12.914 -4.581 1.00 0.00 C ATOM 140 C ALA A 10 -18.205 11.778 -5.491 1.00 0.00 C ATOM 141 O ALA A 10 -19.135 11.183 -6.033 1.00 0.00 O ATOM 142 CB ALA A 10 -18.558 14.267 -5.311 1.00 0.00 C ATOM 0 H ALA A 10 -17.097 13.773 -3.393 1.00 0.00 H new ATOM 0 HA ALA A 10 -19.537 12.759 -4.212 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -19.232 14.202 -6.165 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -18.911 15.040 -4.628 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -17.556 14.519 -5.658 1.00 0.00 H new ATOM 148 N GLU A 11 -16.922 11.409 -5.655 1.00 0.00 N ATOM 149 CA GLU A 11 -16.502 10.262 -6.399 1.00 0.00 C ATOM 150 C GLU A 11 -16.807 8.986 -5.691 1.00 0.00 C ATOM 151 O GLU A 11 -17.437 8.103 -6.269 1.00 0.00 O ATOM 152 CB GLU A 11 -15.009 10.103 -6.732 1.00 0.00 C ATOM 153 CG GLU A 11 -14.464 11.293 -7.525 1.00 0.00 C ATOM 154 CD GLU A 11 -14.957 11.132 -8.956 1.00 0.00 C ATOM 155 OE1 GLU A 11 -14.657 10.129 -9.658 1.00 0.00 O ATOM 156 OE2 GLU A 11 -15.548 12.177 -9.339 1.00 0.00 O ATOM 0 H GLU A 11 -16.144 11.932 -5.252 1.00 0.00 H new ATOM 0 HA GLU A 11 -17.059 10.448 -7.317 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -14.442 9.994 -5.808 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.862 9.188 -7.306 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -14.814 12.234 -7.099 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.375 11.313 -7.492 1.00 0.00 H new ATOM 163 N PHE A 12 -16.513 8.939 -4.379 1.00 0.00 N ATOM 164 CA PHE A 12 -16.849 7.823 -3.550 1.00 0.00 C ATOM 165 C PHE A 12 -18.290 7.445 -3.524 1.00 0.00 C ATOM 166 O PHE A 12 -18.683 6.280 -3.527 1.00 0.00 O ATOM 167 CB PHE A 12 -16.267 7.845 -2.127 1.00 0.00 C ATOM 168 CG PHE A 12 -14.783 7.958 -2.195 1.00 0.00 C ATOM 169 CD1 PHE A 12 -14.036 7.095 -2.962 1.00 0.00 C ATOM 170 CD2 PHE A 12 -14.203 8.901 -1.379 1.00 0.00 C ATOM 171 CE1 PHE A 12 -12.722 7.467 -3.119 1.00 0.00 C ATOM 172 CE2 PHE A 12 -12.849 9.142 -1.408 1.00 0.00 C ATOM 173 CZ PHE A 12 -12.127 8.429 -2.336 1.00 0.00 C ATOM 0 H PHE A 12 -16.033 9.691 -3.884 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.329 7.028 -4.084 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -16.680 8.684 -1.567 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -16.549 6.937 -1.594 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.447 6.200 -3.404 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -14.825 9.465 -0.700 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.134 6.986 -3.887 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.380 9.850 -0.741 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.072 8.628 -2.452 1.00 0.00 H new ATOM 183 N LYS A 13 -19.191 8.430 -3.354 1.00 0.00 N ATOM 184 CA LYS A 13 -20.609 8.269 -3.435 1.00 0.00 C ATOM 185 C LYS A 13 -21.144 7.730 -4.717 1.00 0.00 C ATOM 186 O LYS A 13 -21.993 6.842 -4.781 1.00 0.00 O ATOM 187 CB LYS A 13 -21.283 9.634 -3.215 1.00 0.00 C ATOM 188 CG LYS A 13 -22.806 9.766 -3.173 1.00 0.00 C ATOM 189 CD LYS A 13 -23.531 8.951 -2.101 1.00 0.00 C ATOM 190 CE LYS A 13 -23.943 9.807 -0.902 1.00 0.00 C ATOM 191 NZ LYS A 13 -24.883 9.013 -0.081 1.00 0.00 N ATOM 0 H LYS A 13 -18.914 9.390 -3.149 1.00 0.00 H new ATOM 0 HA LYS A 13 -20.835 7.528 -2.668 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -20.903 10.029 -2.273 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -20.927 10.296 -4.005 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -23.054 10.818 -3.028 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -23.201 9.477 -4.147 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -24.417 8.489 -2.536 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -22.883 8.142 -1.762 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -23.069 10.089 -0.316 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -24.415 10.731 -1.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -25.181 9.572 0.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -25.717 8.765 -0.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -24.413 8.143 0.242 1.00 0.00 H new ATOM 205 N GLU A 14 -20.594 8.213 -5.845 1.00 0.00 N ATOM 206 CA GLU A 14 -20.835 7.746 -7.175 1.00 0.00 C ATOM 207 C GLU A 14 -20.349 6.371 -7.480 1.00 0.00 C ATOM 208 O GLU A 14 -21.096 5.521 -7.961 1.00 0.00 O ATOM 209 CB GLU A 14 -20.124 8.654 -8.194 1.00 0.00 C ATOM 210 CG GLU A 14 -20.731 8.517 -9.591 1.00 0.00 C ATOM 211 CD GLU A 14 -19.962 9.195 -10.716 1.00 0.00 C ATOM 212 OE1 GLU A 14 -18.805 8.826 -11.050 1.00 0.00 O ATOM 213 OE2 GLU A 14 -20.553 10.108 -11.352 1.00 0.00 O ATOM 0 H GLU A 14 -19.931 8.988 -5.824 1.00 0.00 H new ATOM 0 HA GLU A 14 -21.923 7.753 -7.247 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -20.192 9.692 -7.867 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -19.065 8.401 -8.231 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -20.821 7.456 -9.825 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -21.741 8.925 -9.569 1.00 0.00 H new ATOM 220 N ALA A 15 -19.097 6.053 -7.104 1.00 0.00 N ATOM 221 CA ALA A 15 -18.515 4.747 -7.064 1.00 0.00 C ATOM 222 C ALA A 15 -19.260 3.784 -6.204 1.00 0.00 C ATOM 223 O ALA A 15 -19.696 2.767 -6.739 1.00 0.00 O ATOM 224 CB ALA A 15 -17.053 4.724 -6.588 1.00 0.00 C ATOM 0 H ALA A 15 -18.438 6.771 -6.803 1.00 0.00 H new ATOM 0 HA ALA A 15 -18.569 4.440 -8.109 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.687 3.697 -6.586 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.442 5.326 -7.260 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.992 5.132 -5.579 1.00 0.00 H new ATOM 230 N PHE A 16 -19.680 4.153 -4.980 1.00 0.00 N ATOM 231 CA PHE A 16 -20.558 3.431 -4.113 1.00 0.00 C ATOM 232 C PHE A 16 -21.888 3.090 -4.690 1.00 0.00 C ATOM 233 O PHE A 16 -22.268 1.920 -4.710 1.00 0.00 O ATOM 234 CB PHE A 16 -20.775 4.276 -2.847 1.00 0.00 C ATOM 235 CG PHE A 16 -21.459 3.597 -1.711 1.00 0.00 C ATOM 236 CD1 PHE A 16 -20.702 2.728 -0.960 1.00 0.00 C ATOM 237 CD2 PHE A 16 -22.820 3.659 -1.531 1.00 0.00 C ATOM 238 CE1 PHE A 16 -21.227 2.079 0.133 1.00 0.00 C ATOM 239 CE2 PHE A 16 -23.356 2.940 -0.488 1.00 0.00 C ATOM 240 CZ PHE A 16 -22.564 2.256 0.403 1.00 0.00 C ATOM 0 H PHE A 16 -19.377 5.033 -4.563 1.00 0.00 H new ATOM 0 HA PHE A 16 -20.072 2.476 -3.916 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -19.804 4.629 -2.500 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -21.356 5.157 -3.119 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -19.673 2.551 -1.235 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -23.445 4.250 -2.184 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -20.610 1.451 0.759 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -24.429 2.912 -0.366 1.00 0.00 H new ATOM 0 HZ PHE A 16 -22.990 1.859 1.312 1.00 0.00 H new ATOM 250 N SER A 17 -22.617 4.010 -5.347 1.00 0.00 N ATOM 251 CA SER A 17 -23.911 3.824 -5.927 1.00 0.00 C ATOM 252 C SER A 17 -23.876 3.026 -7.185 1.00 0.00 C ATOM 253 O SER A 17 -24.920 2.465 -7.513 1.00 0.00 O ATOM 254 CB SER A 17 -24.639 5.171 -6.074 1.00 0.00 C ATOM 255 OG SER A 17 -24.601 5.921 -4.869 1.00 0.00 O ATOM 0 H SER A 17 -22.272 4.960 -5.483 1.00 0.00 H new ATOM 0 HA SER A 17 -24.498 3.217 -5.238 1.00 0.00 H new ATOM 0 HB2 SER A 17 -24.179 5.748 -6.877 1.00 0.00 H new ATOM 0 HB3 SER A 17 -25.676 4.995 -6.361 1.00 0.00 H new ATOM 0 HG SER A 17 -23.703 6.294 -4.744 1.00 0.00 H new ATOM 261 N LEU A 18 -22.708 2.958 -7.849 1.00 0.00 N ATOM 262 CA LEU A 18 -22.486 1.967 -8.856 1.00 0.00 C ATOM 263 C LEU A 18 -22.342 0.600 -8.280 1.00 0.00 C ATOM 264 O LEU A 18 -22.927 -0.362 -8.776 1.00 0.00 O ATOM 265 CB LEU A 18 -21.271 2.317 -9.731 1.00 0.00 C ATOM 266 CG LEU A 18 -21.371 2.021 -11.237 1.00 0.00 C ATOM 267 CD1 LEU A 18 -22.519 2.810 -11.890 1.00 0.00 C ATOM 268 CD2 LEU A 18 -20.051 2.125 -12.020 1.00 0.00 C ATOM 0 H LEU A 18 -21.920 3.586 -7.690 1.00 0.00 H new ATOM 0 HA LEU A 18 -23.374 1.963 -9.489 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -21.065 3.381 -9.610 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -20.408 1.779 -9.339 1.00 0.00 H new ATOM 0 HG LEU A 18 -21.614 0.960 -11.300 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -22.561 2.577 -12.954 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -23.463 2.534 -11.420 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -22.347 3.878 -11.759 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -20.232 1.898 -13.070 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -19.654 3.136 -11.931 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -19.330 1.415 -11.614 1.00 0.00 H new ATOM 280 N PHE A 19 -21.670 0.452 -7.124 1.00 0.00 N ATOM 281 CA PHE A 19 -21.409 -0.768 -6.424 1.00 0.00 C ATOM 282 C PHE A 19 -22.570 -1.354 -5.697 1.00 0.00 C ATOM 283 O PHE A 19 -22.555 -2.528 -5.331 1.00 0.00 O ATOM 284 CB PHE A 19 -20.210 -0.751 -5.461 1.00 0.00 C ATOM 285 CG PHE A 19 -18.975 -0.156 -6.046 1.00 0.00 C ATOM 286 CD1 PHE A 19 -18.688 -0.299 -7.383 1.00 0.00 C ATOM 287 CD2 PHE A 19 -17.989 0.254 -5.180 1.00 0.00 C ATOM 288 CE1 PHE A 19 -17.563 0.290 -7.911 1.00 0.00 C ATOM 289 CE2 PHE A 19 -16.851 0.850 -5.672 1.00 0.00 C ATOM 290 CZ PHE A 19 -16.664 0.851 -7.034 1.00 0.00 C ATOM 0 H PHE A 19 -21.276 1.258 -6.638 1.00 0.00 H new ATOM 0 HA PHE A 19 -21.162 -1.407 -7.272 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -20.483 -0.191 -4.566 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -19.995 -1.772 -5.145 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -19.346 -0.874 -8.018 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -18.108 0.109 -4.116 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -17.391 0.311 -8.977 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -16.128 1.303 -5.010 1.00 0.00 H new ATOM 0 HZ PHE A 19 -15.773 1.312 -7.433 1.00 0.00 H new ATOM 300 N ASP A 20 -23.519 -0.477 -5.323 1.00 0.00 N ATOM 301 CA ASP A 20 -24.801 -0.801 -4.780 1.00 0.00 C ATOM 302 C ASP A 20 -25.810 -1.135 -5.825 1.00 0.00 C ATOM 303 O ASP A 20 -26.129 -0.338 -6.706 1.00 0.00 O ATOM 304 CB ASP A 20 -25.353 0.239 -3.791 1.00 0.00 C ATOM 305 CG ASP A 20 -26.505 -0.339 -2.981 1.00 0.00 C ATOM 306 OD1 ASP A 20 -26.631 -1.590 -2.901 1.00 0.00 O ATOM 307 OD2 ASP A 20 -27.336 0.443 -2.446 1.00 0.00 O ATOM 0 H ASP A 20 -23.379 0.530 -5.407 1.00 0.00 H new ATOM 0 HA ASP A 20 -24.616 -1.704 -4.198 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -24.559 0.565 -3.119 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -25.692 1.120 -4.335 1.00 0.00 H new ATOM 312 N LYS A 21 -26.368 -2.357 -5.768 1.00 0.00 N ATOM 313 CA LYS A 21 -27.242 -2.813 -6.803 1.00 0.00 C ATOM 314 C LYS A 21 -28.676 -2.899 -6.406 1.00 0.00 C ATOM 315 O LYS A 21 -29.544 -2.587 -7.220 1.00 0.00 O ATOM 316 CB LYS A 21 -26.780 -4.139 -7.431 1.00 0.00 C ATOM 317 CG LYS A 21 -25.347 -4.247 -7.956 1.00 0.00 C ATOM 318 CD LYS A 21 -24.984 -5.661 -8.415 1.00 0.00 C ATOM 319 CE LYS A 21 -23.614 -5.701 -9.093 1.00 0.00 C ATOM 320 NZ LYS A 21 -23.584 -4.815 -10.279 1.00 0.00 N ATOM 0 H LYS A 21 -26.216 -3.025 -5.012 1.00 0.00 H new ATOM 0 HA LYS A 21 -27.177 -2.032 -7.560 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -26.918 -4.923 -6.686 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -27.452 -4.364 -8.259 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -25.218 -3.556 -8.789 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -24.655 -3.936 -7.174 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -24.985 -6.334 -7.557 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -25.743 -6.025 -9.107 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -22.845 -5.393 -8.385 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -23.382 -6.723 -9.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -22.793 -5.088 -10.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -24.478 -4.905 -10.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -23.460 -3.829 -9.973 1.00 0.00 H new ATOM 334 N ASP A 22 -29.105 -3.239 -5.177 1.00 0.00 N ATOM 335 CA ASP A 22 -30.451 -3.250 -4.696 1.00 0.00 C ATOM 336 C ASP A 22 -31.074 -1.912 -4.491 1.00 0.00 C ATOM 337 O ASP A 22 -32.291 -1.743 -4.542 1.00 0.00 O ATOM 338 CB ASP A 22 -30.605 -4.008 -3.366 1.00 0.00 C ATOM 339 CG ASP A 22 -29.597 -5.129 -3.152 1.00 0.00 C ATOM 340 OD1 ASP A 22 -28.482 -4.808 -2.661 1.00 0.00 O ATOM 341 OD2 ASP A 22 -29.866 -6.350 -3.301 1.00 0.00 O ATOM 0 H ASP A 22 -28.447 -3.533 -4.456 1.00 0.00 H new ATOM 0 HA ASP A 22 -30.969 -3.756 -5.511 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -30.516 -3.296 -2.545 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -31.610 -4.427 -3.317 1.00 0.00 H new ATOM 346 N GLY A 23 -30.245 -0.871 -4.297 1.00 0.00 N ATOM 347 CA GLY A 23 -30.597 0.471 -3.949 1.00 0.00 C ATOM 348 C GLY A 23 -30.746 0.751 -2.493 1.00 0.00 C ATOM 349 O GLY A 23 -31.633 1.528 -2.147 1.00 0.00 O ATOM 0 H GLY A 23 -29.236 -0.981 -4.393 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -29.837 1.141 -4.352 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -31.536 0.719 -4.444 1.00 0.00 H new ATOM 353 N ASP A 24 -29.984 0.135 -1.571 1.00 0.00 N ATOM 354 CA ASP A 24 -30.197 0.185 -0.158 1.00 0.00 C ATOM 355 C ASP A 24 -29.343 1.121 0.625 1.00 0.00 C ATOM 356 O ASP A 24 -29.719 1.457 1.746 1.00 0.00 O ATOM 357 CB ASP A 24 -30.353 -1.250 0.374 1.00 0.00 C ATOM 358 CG ASP A 24 -29.047 -2.026 0.472 1.00 0.00 C ATOM 359 OD1 ASP A 24 -28.456 -2.357 -0.591 1.00 0.00 O ATOM 360 OD2 ASP A 24 -28.601 -2.336 1.609 1.00 0.00 O ATOM 0 H ASP A 24 -29.174 -0.429 -1.827 1.00 0.00 H new ATOM 0 HA ASP A 24 -31.141 0.701 0.019 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -30.814 -1.211 1.361 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -31.038 -1.794 -0.277 1.00 0.00 H new ATOM 365 N GLY A 25 -28.207 1.511 0.018 1.00 0.00 N ATOM 366 CA GLY A 25 -27.097 2.208 0.590 1.00 0.00 C ATOM 367 C GLY A 25 -26.092 1.365 1.296 1.00 0.00 C ATOM 368 O GLY A 25 -25.298 1.967 2.017 1.00 0.00 O ATOM 0 H GLY A 25 -28.054 1.317 -0.972 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -26.589 2.756 -0.204 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -27.481 2.947 1.293 1.00 0.00 H new ATOM 372 N THR A 26 -26.063 0.049 1.020 1.00 0.00 N ATOM 373 CA THR A 26 -25.044 -0.772 1.597 1.00 0.00 C ATOM 374 C THR A 26 -24.556 -1.786 0.621 1.00 0.00 C ATOM 375 O THR A 26 -25.260 -2.229 -0.285 1.00 0.00 O ATOM 376 CB THR A 26 -25.344 -1.446 2.903 1.00 0.00 C ATOM 377 OG1 THR A 26 -26.253 -2.536 2.854 1.00 0.00 O ATOM 378 CG2 THR A 26 -25.972 -0.494 3.935 1.00 0.00 C ATOM 0 H THR A 26 -26.725 -0.437 0.415 1.00 0.00 H new ATOM 0 HA THR A 26 -24.275 -0.041 1.844 1.00 0.00 H new ATOM 0 HB THR A 26 -24.350 -1.798 3.177 1.00 0.00 H new ATOM 0 HG1 THR A 26 -26.952 -2.349 2.193 1.00 0.00 H new ATOM 0 HG21 THR A 26 -26.167 -1.037 4.860 1.00 0.00 H new ATOM 0 HG22 THR A 26 -25.286 0.329 4.135 1.00 0.00 H new ATOM 0 HG23 THR A 26 -26.909 -0.098 3.542 1.00 0.00 H new ATOM 386 N ILE A 27 -23.266 -2.130 0.787 1.00 0.00 N ATOM 387 CA ILE A 27 -22.484 -3.114 0.105 1.00 0.00 C ATOM 388 C ILE A 27 -22.185 -4.280 0.983 1.00 0.00 C ATOM 389 O ILE A 27 -21.572 -4.195 2.046 1.00 0.00 O ATOM 390 CB ILE A 27 -21.438 -2.696 -0.886 1.00 0.00 C ATOM 391 CG1 ILE A 27 -20.393 -1.774 -0.234 1.00 0.00 C ATOM 392 CG2 ILE A 27 -22.063 -2.192 -2.198 1.00 0.00 C ATOM 393 CD1 ILE A 27 -19.177 -1.445 -1.099 1.00 0.00 C ATOM 0 H ILE A 27 -22.703 -1.653 1.492 1.00 0.00 H new ATOM 0 HA ILE A 27 -23.159 -3.468 -0.675 1.00 0.00 H new ATOM 0 HB ILE A 27 -20.866 -3.570 -1.198 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -20.881 -0.841 0.046 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -20.046 -2.241 0.688 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -21.272 -1.899 -2.889 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -22.660 -2.987 -2.646 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -22.700 -1.332 -1.991 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -18.504 -0.790 -0.546 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -18.655 -2.366 -1.359 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -19.504 -0.944 -2.010 1.00 0.00 H new ATOM 405 N THR A 28 -22.683 -5.466 0.591 1.00 0.00 N ATOM 406 CA THR A 28 -22.542 -6.766 1.171 1.00 0.00 C ATOM 407 C THR A 28 -21.260 -7.411 0.769 1.00 0.00 C ATOM 408 O THR A 28 -20.571 -6.878 -0.099 1.00 0.00 O ATOM 409 CB THR A 28 -23.623 -7.713 0.743 1.00 0.00 C ATOM 410 OG1 THR A 28 -23.506 -7.982 -0.647 1.00 0.00 O ATOM 411 CG2 THR A 28 -25.002 -7.063 0.938 1.00 0.00 C ATOM 0 H THR A 28 -23.262 -5.514 -0.247 1.00 0.00 H new ATOM 0 HA THR A 28 -22.588 -6.592 2.246 1.00 0.00 H new ATOM 0 HB THR A 28 -23.524 -8.621 1.337 1.00 0.00 H new ATOM 0 HG1 THR A 28 -24.213 -8.602 -0.921 1.00 0.00 H new ATOM 0 HG21 THR A 28 -25.780 -7.759 0.624 1.00 0.00 H new ATOM 0 HG22 THR A 28 -25.141 -6.813 1.990 1.00 0.00 H new ATOM 0 HG23 THR A 28 -25.064 -6.155 0.338 1.00 0.00 H new ATOM 419 N THR A 29 -20.872 -8.591 1.284 1.00 0.00 N ATOM 420 CA THR A 29 -19.901 -9.528 0.809 1.00 0.00 C ATOM 421 C THR A 29 -20.104 -9.898 -0.619 1.00 0.00 C ATOM 422 O THR A 29 -19.190 -9.998 -1.436 1.00 0.00 O ATOM 423 CB THR A 29 -19.804 -10.821 1.564 1.00 0.00 C ATOM 424 OG1 THR A 29 -21.055 -11.248 2.081 1.00 0.00 O ATOM 425 CG2 THR A 29 -19.046 -10.533 2.871 1.00 0.00 C ATOM 0 H THR A 29 -21.298 -8.928 2.147 1.00 0.00 H new ATOM 0 HA THR A 29 -18.978 -8.968 0.961 1.00 0.00 H new ATOM 0 HB THR A 29 -19.366 -11.545 0.877 1.00 0.00 H new ATOM 0 HG1 THR A 29 -20.939 -12.094 2.562 1.00 0.00 H new ATOM 0 HG21 THR A 29 -18.955 -11.453 3.449 1.00 0.00 H new ATOM 0 HG22 THR A 29 -18.052 -10.151 2.639 1.00 0.00 H new ATOM 0 HG23 THR A 29 -19.593 -9.791 3.453 1.00 0.00 H new ATOM 433 N LYS A 30 -21.328 -10.148 -1.118 1.00 0.00 N ATOM 434 CA LYS A 30 -21.495 -10.493 -2.495 1.00 0.00 C ATOM 435 C LYS A 30 -21.203 -9.346 -3.399 1.00 0.00 C ATOM 436 O LYS A 30 -20.664 -9.530 -4.489 1.00 0.00 O ATOM 437 CB LYS A 30 -22.932 -10.995 -2.719 1.00 0.00 C ATOM 438 CG LYS A 30 -23.278 -12.287 -1.978 1.00 0.00 C ATOM 439 CD LYS A 30 -24.761 -12.453 -1.636 1.00 0.00 C ATOM 440 CE LYS A 30 -25.167 -13.821 -1.085 1.00 0.00 C ATOM 441 NZ LYS A 30 -24.631 -14.066 0.272 1.00 0.00 N ATOM 0 H LYS A 30 -22.191 -10.112 -0.576 1.00 0.00 H new ATOM 0 HA LYS A 30 -20.781 -11.280 -2.737 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -23.628 -10.216 -2.408 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -23.086 -11.152 -3.787 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -22.963 -13.134 -2.587 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -22.700 -12.326 -1.055 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -25.033 -11.692 -0.905 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -25.346 -12.256 -2.534 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -26.254 -13.891 -1.061 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -24.812 -14.601 -1.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -24.934 -15.005 0.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -23.592 -14.026 0.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -24.990 -13.339 0.923 1.00 0.00 H new ATOM 455 N GLU A 31 -21.608 -8.152 -2.929 1.00 0.00 N ATOM 456 CA GLU A 31 -21.494 -6.999 -3.767 1.00 0.00 C ATOM 457 C GLU A 31 -20.115 -6.436 -3.750 1.00 0.00 C ATOM 458 O GLU A 31 -19.643 -6.009 -4.802 1.00 0.00 O ATOM 459 CB GLU A 31 -22.399 -5.897 -3.191 1.00 0.00 C ATOM 460 CG GLU A 31 -23.871 -6.099 -3.558 1.00 0.00 C ATOM 461 CD GLU A 31 -24.860 -5.159 -2.884 1.00 0.00 C ATOM 462 OE1 GLU A 31 -24.866 -4.937 -1.644 1.00 0.00 O ATOM 463 OE2 GLU A 31 -25.757 -4.602 -3.571 1.00 0.00 O ATOM 0 H GLU A 31 -22.001 -7.987 -2.002 1.00 0.00 H new ATOM 0 HA GLU A 31 -21.762 -7.299 -4.780 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.297 -5.878 -2.106 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -22.065 -4.927 -3.560 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -23.974 -5.990 -4.638 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -24.149 -7.124 -3.313 1.00 0.00 H new ATOM 470 N LEU A 32 -19.374 -6.446 -2.627 1.00 0.00 N ATOM 471 CA LEU A 32 -17.976 -6.147 -2.610 1.00 0.00 C ATOM 472 C LEU A 32 -17.206 -7.216 -3.305 1.00 0.00 C ATOM 473 O LEU A 32 -16.147 -6.949 -3.870 1.00 0.00 O ATOM 474 CB LEU A 32 -17.453 -5.990 -1.172 1.00 0.00 C ATOM 475 CG LEU A 32 -15.958 -5.706 -0.950 1.00 0.00 C ATOM 476 CD1 LEU A 32 -15.615 -4.407 -1.699 1.00 0.00 C ATOM 477 CD2 LEU A 32 -15.775 -5.592 0.573 1.00 0.00 C ATOM 0 H LEU A 32 -19.757 -6.668 -1.708 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.837 -5.201 -3.133 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -18.015 -5.182 -0.704 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.698 -6.904 -0.631 1.00 0.00 H new ATOM 0 HG LEU A 32 -15.292 -6.481 -1.329 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -14.559 -4.176 -1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.824 -4.534 -2.761 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.219 -3.590 -1.305 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.728 -5.389 0.800 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.393 -4.779 0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -16.074 -6.527 1.046 1.00 0.00 H new ATOM 489 N GLY A 33 -17.666 -8.477 -3.401 1.00 0.00 N ATOM 490 CA GLY A 33 -17.042 -9.448 -4.245 1.00 0.00 C ATOM 491 C GLY A 33 -17.236 -9.263 -5.711 1.00 0.00 C ATOM 492 O GLY A 33 -16.449 -9.672 -6.563 1.00 0.00 O ATOM 0 H GLY A 33 -18.477 -8.826 -2.889 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.972 -9.446 -4.037 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.418 -10.434 -3.971 1.00 0.00 H new ATOM 496 N THR A 34 -18.307 -8.544 -6.090 1.00 0.00 N ATOM 497 CA THR A 34 -18.511 -8.067 -7.423 1.00 0.00 C ATOM 498 C THR A 34 -17.595 -6.939 -7.753 1.00 0.00 C ATOM 499 O THR A 34 -17.070 -6.990 -8.864 1.00 0.00 O ATOM 500 CB THR A 34 -19.961 -7.840 -7.731 1.00 0.00 C ATOM 501 OG1 THR A 34 -20.706 -9.046 -7.650 1.00 0.00 O ATOM 502 CG2 THR A 34 -20.126 -7.479 -9.216 1.00 0.00 C ATOM 0 H THR A 34 -19.056 -8.286 -5.448 1.00 0.00 H new ATOM 0 HA THR A 34 -18.223 -8.857 -8.117 1.00 0.00 H new ATOM 0 HB THR A 34 -20.295 -7.076 -7.029 1.00 0.00 H new ATOM 0 HG1 THR A 34 -20.749 -9.342 -6.717 1.00 0.00 H new ATOM 0 HG21 THR A 34 -21.181 -7.315 -9.436 1.00 0.00 H new ATOM 0 HG22 THR A 34 -19.564 -6.571 -9.434 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.750 -8.295 -9.833 1.00 0.00 H new ATOM 510 N VAL A 35 -17.328 -5.984 -6.845 1.00 0.00 N ATOM 511 CA VAL A 35 -16.340 -4.975 -7.069 1.00 0.00 C ATOM 512 C VAL A 35 -14.989 -5.537 -7.353 1.00 0.00 C ATOM 513 O VAL A 35 -14.379 -5.288 -8.392 1.00 0.00 O ATOM 514 CB VAL A 35 -16.283 -4.127 -5.832 1.00 0.00 C ATOM 515 CG1 VAL A 35 -15.311 -2.936 -5.769 1.00 0.00 C ATOM 516 CG2 VAL A 35 -17.623 -3.386 -5.689 1.00 0.00 C ATOM 0 H VAL A 35 -17.803 -5.911 -5.945 1.00 0.00 H new ATOM 0 HA VAL A 35 -16.622 -4.398 -7.950 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.985 -4.869 -5.091 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -15.406 -2.439 -4.803 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.289 -3.294 -5.894 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -15.548 -2.230 -6.565 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -17.601 -2.764 -4.794 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -17.786 -2.757 -6.564 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -18.433 -4.111 -5.607 1.00 0.00 H new ATOM 526 N MET A 36 -14.520 -6.438 -6.472 1.00 0.00 N ATOM 527 CA MET A 36 -13.313 -7.201 -6.549 1.00 0.00 C ATOM 528 C MET A 36 -13.169 -7.987 -7.806 1.00 0.00 C ATOM 529 O MET A 36 -12.087 -8.042 -8.388 1.00 0.00 O ATOM 530 CB MET A 36 -13.096 -8.090 -5.312 1.00 0.00 C ATOM 531 CG MET A 36 -12.847 -7.262 -4.050 1.00 0.00 C ATOM 532 SD MET A 36 -11.248 -6.404 -4.160 1.00 0.00 S ATOM 533 CE MET A 36 -10.924 -5.971 -2.426 1.00 0.00 C ATOM 0 H MET A 36 -15.040 -6.652 -5.621 1.00 0.00 H new ATOM 0 HA MET A 36 -12.520 -6.453 -6.567 1.00 0.00 H new ATOM 0 HB2 MET A 36 -13.970 -8.724 -5.163 1.00 0.00 H new ATOM 0 HB3 MET A 36 -12.247 -8.752 -5.485 1.00 0.00 H new ATOM 0 HG2 MET A 36 -13.649 -6.535 -3.920 1.00 0.00 H new ATOM 0 HG3 MET A 36 -12.860 -7.910 -3.174 1.00 0.00 H new ATOM 0 HE1 MET A 36 -9.974 -5.441 -2.355 1.00 0.00 H new ATOM 0 HE2 MET A 36 -11.725 -5.332 -2.055 1.00 0.00 H new ATOM 0 HE3 MET A 36 -10.878 -6.880 -1.826 1.00 0.00 H new ATOM 543 N ARG A 37 -14.293 -8.467 -8.368 1.00 0.00 N ATOM 544 CA ARG A 37 -14.357 -9.274 -9.547 1.00 0.00 C ATOM 545 C ARG A 37 -13.971 -8.451 -10.728 1.00 0.00 C ATOM 546 O ARG A 37 -13.053 -8.763 -11.485 1.00 0.00 O ATOM 547 CB ARG A 37 -15.774 -9.873 -9.553 1.00 0.00 C ATOM 548 CG ARG A 37 -16.118 -10.579 -10.867 1.00 0.00 C ATOM 549 CD ARG A 37 -17.534 -11.153 -10.940 1.00 0.00 C ATOM 550 NE ARG A 37 -17.514 -12.306 -9.997 1.00 0.00 N ATOM 551 CZ ARG A 37 -18.337 -12.345 -8.909 1.00 0.00 C ATOM 552 NH1 ARG A 37 -19.612 -11.861 -8.969 1.00 0.00 N ATOM 553 NH2 ARG A 37 -17.967 -13.085 -7.823 1.00 0.00 N ATOM 0 H ARG A 37 -15.215 -8.279 -7.974 1.00 0.00 H new ATOM 0 HA ARG A 37 -13.652 -10.105 -9.579 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -15.866 -10.582 -8.731 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -16.499 -9.079 -9.372 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -15.985 -9.873 -11.687 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -15.405 -11.388 -11.025 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -18.279 -10.413 -10.647 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -17.782 -11.472 -11.952 1.00 0.00 H new ATOM 0 HE ARG A 37 -16.873 -13.081 -10.168 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -19.965 -11.461 -9.838 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -20.211 -11.899 -8.145 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -17.086 -13.599 -7.832 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -18.572 -13.124 -7.002 1.00 0.00 H new ATOM 567 N SER A 38 -14.692 -7.331 -10.912 1.00 0.00 N ATOM 568 CA SER A 38 -14.518 -6.357 -11.944 1.00 0.00 C ATOM 569 C SER A 38 -13.169 -5.723 -11.938 1.00 0.00 C ATOM 570 O SER A 38 -12.605 -5.337 -12.960 1.00 0.00 O ATOM 571 CB SER A 38 -15.608 -5.278 -12.069 1.00 0.00 C ATOM 572 OG SER A 38 -16.960 -5.696 -12.182 1.00 0.00 O ATOM 0 H SER A 38 -15.460 -7.088 -10.286 1.00 0.00 H new ATOM 0 HA SER A 38 -14.622 -6.974 -12.837 1.00 0.00 H new ATOM 0 HB2 SER A 38 -15.533 -4.627 -11.198 1.00 0.00 H new ATOM 0 HB3 SER A 38 -15.374 -4.669 -12.942 1.00 0.00 H new ATOM 0 HG SER A 38 -17.541 -4.910 -12.252 1.00 0.00 H new ATOM 578 N LEU A 39 -12.560 -5.649 -10.741 1.00 0.00 N ATOM 579 CA LEU A 39 -11.195 -5.245 -10.608 1.00 0.00 C ATOM 580 C LEU A 39 -10.187 -6.227 -11.098 1.00 0.00 C ATOM 581 O LEU A 39 -9.014 -5.925 -11.310 1.00 0.00 O ATOM 582 CB LEU A 39 -10.845 -4.723 -9.204 1.00 0.00 C ATOM 583 CG LEU A 39 -11.658 -3.485 -8.790 1.00 0.00 C ATOM 584 CD1 LEU A 39 -11.447 -3.240 -7.286 1.00 0.00 C ATOM 585 CD2 LEU A 39 -11.247 -2.338 -9.729 1.00 0.00 C ATOM 0 H LEU A 39 -13.018 -5.871 -9.857 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.124 -4.402 -11.295 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -11.013 -5.518 -8.477 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.783 -4.479 -9.170 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.736 -3.600 -8.903 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -12.018 -2.364 -6.976 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.785 -4.111 -6.725 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.388 -3.071 -7.090 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.803 -1.437 -9.468 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.179 -2.148 -9.625 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.468 -2.615 -10.760 1.00 0.00 H new ATOM 597 N GLY A 40 -10.567 -7.513 -11.202 1.00 0.00 N ATOM 598 CA GLY A 40 -9.748 -8.598 -11.643 1.00 0.00 C ATOM 599 C GLY A 40 -9.253 -9.434 -10.513 1.00 0.00 C ATOM 600 O GLY A 40 -8.376 -10.276 -10.703 1.00 0.00 O ATOM 0 H GLY A 40 -11.511 -7.814 -10.961 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.318 -9.223 -12.331 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.897 -8.204 -12.200 1.00 0.00 H new ATOM 604 N GLN A 41 -9.878 -9.300 -9.330 1.00 0.00 N ATOM 605 CA GLN A 41 -9.462 -9.973 -8.139 1.00 0.00 C ATOM 606 C GLN A 41 -10.327 -11.123 -7.750 1.00 0.00 C ATOM 607 O GLN A 41 -11.448 -11.298 -8.225 1.00 0.00 O ATOM 608 CB GLN A 41 -9.208 -9.004 -6.972 1.00 0.00 C ATOM 609 CG GLN A 41 -8.271 -7.870 -7.393 1.00 0.00 C ATOM 610 CD GLN A 41 -8.053 -6.772 -6.360 1.00 0.00 C ATOM 611 OE1 GLN A 41 -8.290 -5.608 -6.678 1.00 0.00 O ATOM 612 NE2 GLN A 41 -7.561 -7.069 -5.128 1.00 0.00 N ATOM 0 H GLN A 41 -10.697 -8.706 -9.198 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.501 -10.421 -8.393 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.155 -8.589 -6.627 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.773 -9.547 -6.132 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.303 -8.300 -7.648 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.667 -7.415 -8.301 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.368 -8.038 -4.876 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.384 -6.322 -4.456 1.00 0.00 H new ATOM 621 N ASN A 42 -9.756 -12.008 -6.914 1.00 0.00 N ATOM 622 CA ASN A 42 -10.440 -13.161 -6.417 1.00 0.00 C ATOM 623 C ASN A 42 -10.210 -13.361 -4.958 1.00 0.00 C ATOM 624 O ASN A 42 -9.796 -14.495 -4.721 1.00 0.00 O ATOM 625 CB ASN A 42 -10.041 -14.393 -7.247 1.00 0.00 C ATOM 626 CG ASN A 42 -10.244 -14.319 -8.754 1.00 0.00 C ATOM 627 OD1 ASN A 42 -11.309 -14.409 -9.363 1.00 0.00 O ATOM 628 ND2 ASN A 42 -9.079 -14.111 -9.424 1.00 0.00 N ATOM 0 H ASN A 42 -8.798 -11.921 -6.576 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.513 -13.006 -6.527 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.987 -14.599 -7.059 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.604 -15.248 -6.873 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.083 -14.028 -10.441 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.201 -14.038 -8.910 1.00 0.00 H new ATOM 635 N PRO A 43 -10.453 -12.512 -4.005 1.00 0.00 N ATOM 636 CA PRO A 43 -10.483 -12.917 -2.630 1.00 0.00 C ATOM 637 C PRO A 43 -11.524 -13.929 -2.295 1.00 0.00 C ATOM 638 O PRO A 43 -12.445 -14.008 -3.106 1.00 0.00 O ATOM 639 CB PRO A 43 -10.739 -11.589 -1.920 1.00 0.00 C ATOM 640 CG PRO A 43 -11.428 -10.695 -2.963 1.00 0.00 C ATOM 641 CD PRO A 43 -10.628 -11.083 -4.216 1.00 0.00 C ATOM 0 HA PRO A 43 -9.566 -13.430 -2.338 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -11.371 -11.728 -1.043 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.807 -11.142 -1.574 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -12.491 -10.914 -3.063 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -11.342 -9.635 -2.725 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -11.172 -10.866 -5.135 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.676 -10.556 -4.277 1.00 0.00 H new ATOM 649 N THR A 44 -11.445 -14.666 -1.173 1.00 0.00 N ATOM 650 CA THR A 44 -12.482 -15.497 -0.646 1.00 0.00 C ATOM 651 C THR A 44 -13.394 -14.714 0.236 1.00 0.00 C ATOM 652 O THR A 44 -13.125 -13.587 0.646 1.00 0.00 O ATOM 653 CB THR A 44 -12.024 -16.653 0.193 1.00 0.00 C ATOM 654 OG1 THR A 44 -11.182 -16.242 1.260 1.00 0.00 O ATOM 655 CG2 THR A 44 -11.170 -17.566 -0.702 1.00 0.00 C ATOM 0 H THR A 44 -10.603 -14.682 -0.598 1.00 0.00 H new ATOM 0 HA THR A 44 -12.963 -15.883 -1.545 1.00 0.00 H new ATOM 0 HB THR A 44 -12.908 -17.142 0.602 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.277 -16.080 0.919 1.00 0.00 H new ATOM 0 HG21 THR A 44 -10.819 -18.420 -0.122 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.771 -17.919 -1.540 1.00 0.00 H new ATOM 0 HG23 THR A 44 -10.313 -17.007 -1.080 1.00 0.00 H new ATOM 663 N GLU A 45 -14.610 -15.222 0.507 1.00 0.00 N ATOM 664 CA GLU A 45 -15.600 -14.674 1.382 1.00 0.00 C ATOM 665 C GLU A 45 -15.207 -14.342 2.780 1.00 0.00 C ATOM 666 O GLU A 45 -15.691 -13.330 3.283 1.00 0.00 O ATOM 667 CB GLU A 45 -16.879 -15.529 1.402 1.00 0.00 C ATOM 668 CG GLU A 45 -18.132 -14.693 1.668 1.00 0.00 C ATOM 669 CD GLU A 45 -19.337 -15.622 1.683 1.00 0.00 C ATOM 670 OE1 GLU A 45 -19.914 -16.035 0.642 1.00 0.00 O ATOM 671 OE2 GLU A 45 -19.801 -15.888 2.824 1.00 0.00 O ATOM 0 H GLU A 45 -14.926 -16.091 0.076 1.00 0.00 H new ATOM 0 HA GLU A 45 -15.769 -13.701 0.920 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.984 -16.044 0.447 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -16.788 -16.297 2.170 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -18.044 -14.171 2.621 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.250 -13.931 0.897 1.00 0.00 H new ATOM 678 N ALA A 46 -14.398 -15.190 3.440 1.00 0.00 N ATOM 679 CA ALA A 46 -13.764 -14.912 4.691 1.00 0.00 C ATOM 680 C ALA A 46 -12.870 -13.725 4.594 1.00 0.00 C ATOM 681 O ALA A 46 -12.922 -12.788 5.389 1.00 0.00 O ATOM 682 CB ALA A 46 -13.128 -16.241 5.133 1.00 0.00 C ATOM 0 H ALA A 46 -14.175 -16.118 3.081 1.00 0.00 H new ATOM 0 HA ALA A 46 -14.451 -14.597 5.477 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.622 -16.102 6.089 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.905 -16.998 5.240 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.406 -16.565 4.384 1.00 0.00 H new ATOM 688 N GLU A 47 -12.033 -13.569 3.553 1.00 0.00 N ATOM 689 CA GLU A 47 -11.255 -12.386 3.354 1.00 0.00 C ATOM 690 C GLU A 47 -12.085 -11.182 3.065 1.00 0.00 C ATOM 691 O GLU A 47 -11.849 -10.150 3.691 1.00 0.00 O ATOM 692 CB GLU A 47 -10.254 -12.431 2.187 1.00 0.00 C ATOM 693 CG GLU A 47 -9.255 -13.586 2.281 1.00 0.00 C ATOM 694 CD GLU A 47 -8.559 -13.995 0.991 1.00 0.00 C ATOM 695 OE1 GLU A 47 -7.647 -13.270 0.511 1.00 0.00 O ATOM 696 OE2 GLU A 47 -9.059 -14.952 0.341 1.00 0.00 O ATOM 0 H GLU A 47 -11.894 -14.280 2.835 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.728 -12.329 4.306 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.805 -12.513 1.250 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.706 -11.489 2.153 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.490 -13.316 3.009 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.778 -14.457 2.676 1.00 0.00 H new ATOM 703 N LEU A 48 -13.120 -11.227 2.208 1.00 0.00 N ATOM 704 CA LEU A 48 -14.204 -10.308 2.052 1.00 0.00 C ATOM 705 C LEU A 48 -14.831 -9.858 3.326 1.00 0.00 C ATOM 706 O LEU A 48 -14.916 -8.675 3.652 1.00 0.00 O ATOM 707 CB LEU A 48 -15.262 -10.817 1.058 1.00 0.00 C ATOM 708 CG LEU A 48 -15.032 -10.626 -0.451 1.00 0.00 C ATOM 709 CD1 LEU A 48 -16.013 -11.478 -1.274 1.00 0.00 C ATOM 710 CD2 LEU A 48 -15.072 -9.128 -0.796 1.00 0.00 C ATOM 0 H LEU A 48 -13.203 -12.000 1.548 1.00 0.00 H new ATOM 0 HA LEU A 48 -13.739 -9.417 1.630 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.393 -11.884 1.237 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.206 -10.334 1.309 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.040 -10.987 -0.721 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -15.827 -11.323 -2.337 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -15.872 -12.531 -1.031 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -17.036 -11.185 -1.038 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -14.909 -8.996 -1.866 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -16.045 -8.718 -0.524 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -14.291 -8.606 -0.243 1.00 0.00 H new ATOM 722 N GLN A 49 -15.440 -10.766 4.110 1.00 0.00 N ATOM 723 CA GLN A 49 -16.139 -10.527 5.335 1.00 0.00 C ATOM 724 C GLN A 49 -15.348 -9.950 6.458 1.00 0.00 C ATOM 725 O GLN A 49 -15.946 -9.182 7.210 1.00 0.00 O ATOM 726 CB GLN A 49 -16.763 -11.854 5.797 1.00 0.00 C ATOM 727 CG GLN A 49 -17.597 -11.755 7.076 1.00 0.00 C ATOM 728 CD GLN A 49 -18.074 -13.127 7.531 1.00 0.00 C ATOM 729 OE1 GLN A 49 -19.228 -13.493 7.315 1.00 0.00 O ATOM 730 NE2 GLN A 49 -17.096 -13.951 7.993 1.00 0.00 N ATOM 0 H GLN A 49 -15.442 -11.756 3.863 1.00 0.00 H new ATOM 0 HA GLN A 49 -16.874 -9.757 5.098 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -17.394 -12.242 4.997 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -15.965 -12.580 5.954 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -17.003 -11.293 7.865 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -18.457 -11.107 6.903 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -16.156 -13.588 8.153 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -17.302 -14.932 8.180 1.00 0.00 H new ATOM 739 N ASP A 50 -14.023 -10.172 6.520 1.00 0.00 N ATOM 740 CA ASP A 50 -13.034 -9.541 7.339 1.00 0.00 C ATOM 741 C ASP A 50 -12.853 -8.090 7.055 1.00 0.00 C ATOM 742 O ASP A 50 -12.843 -7.335 8.026 1.00 0.00 O ATOM 743 CB ASP A 50 -11.670 -10.246 7.252 1.00 0.00 C ATOM 744 CG ASP A 50 -10.758 -9.918 8.426 1.00 0.00 C ATOM 745 OD1 ASP A 50 -10.944 -10.492 9.532 1.00 0.00 O ATOM 746 OD2 ASP A 50 -9.840 -9.076 8.242 1.00 0.00 O ATOM 0 H ASP A 50 -13.597 -10.880 5.922 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.426 -9.633 8.352 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.826 -11.324 7.210 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.177 -9.958 6.324 1.00 0.00 H new ATOM 751 N MET A 51 -12.806 -7.692 5.770 1.00 0.00 N ATOM 752 CA MET A 51 -12.417 -6.361 5.423 1.00 0.00 C ATOM 753 C MET A 51 -13.592 -5.489 5.707 1.00 0.00 C ATOM 754 O MET A 51 -13.514 -4.285 5.942 1.00 0.00 O ATOM 755 CB MET A 51 -11.875 -6.242 3.989 1.00 0.00 C ATOM 756 CG MET A 51 -12.707 -6.876 2.873 1.00 0.00 C ATOM 757 SD MET A 51 -12.058 -6.555 1.206 1.00 0.00 S ATOM 758 CE MET A 51 -10.716 -7.755 1.441 1.00 0.00 C ATOM 0 H MET A 51 -13.036 -8.289 4.976 1.00 0.00 H new ATOM 0 HA MET A 51 -11.566 -6.038 6.023 1.00 0.00 H new ATOM 0 HB2 MET A 51 -11.754 -5.183 3.760 1.00 0.00 H new ATOM 0 HB3 MET A 51 -10.881 -6.689 3.965 1.00 0.00 H new ATOM 0 HG2 MET A 51 -12.754 -7.953 3.034 1.00 0.00 H new ATOM 0 HG3 MET A 51 -13.728 -6.500 2.935 1.00 0.00 H new ATOM 0 HE1 MET A 51 -9.763 -7.229 1.501 1.00 0.00 H new ATOM 0 HE2 MET A 51 -10.882 -8.310 2.364 1.00 0.00 H new ATOM 0 HE3 MET A 51 -10.696 -8.447 0.599 1.00 0.00 H new ATOM 768 N ILE A 52 -14.817 -6.044 5.743 1.00 0.00 N ATOM 769 CA ILE A 52 -16.066 -5.464 6.129 1.00 0.00 C ATOM 770 C ILE A 52 -16.081 -5.307 7.611 1.00 0.00 C ATOM 771 O ILE A 52 -16.357 -4.211 8.097 1.00 0.00 O ATOM 772 CB ILE A 52 -17.227 -6.338 5.758 1.00 0.00 C ATOM 773 CG1 ILE A 52 -17.407 -6.367 4.231 1.00 0.00 C ATOM 774 CG2 ILE A 52 -18.517 -5.840 6.432 1.00 0.00 C ATOM 775 CD1 ILE A 52 -18.525 -7.347 3.879 1.00 0.00 C ATOM 0 H ILE A 52 -14.942 -7.018 5.467 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.162 -4.509 5.613 1.00 0.00 H new ATOM 0 HB ILE A 52 -17.020 -7.349 6.108 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -17.650 -5.371 3.862 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -16.477 -6.668 3.748 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -19.348 -6.487 6.150 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -18.393 -5.859 7.515 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -18.726 -4.820 6.109 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -18.659 -7.373 2.798 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -18.262 -8.343 4.236 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -19.453 -7.025 4.352 1.00 0.00 H new ATOM 787 N ASN A 53 -15.857 -6.391 8.376 1.00 0.00 N ATOM 788 CA ASN A 53 -15.948 -6.338 9.802 1.00 0.00 C ATOM 789 C ASN A 53 -15.070 -5.348 10.487 1.00 0.00 C ATOM 790 O ASN A 53 -15.378 -4.724 11.502 1.00 0.00 O ATOM 791 CB ASN A 53 -15.662 -7.737 10.372 1.00 0.00 C ATOM 792 CG ASN A 53 -16.872 -8.610 10.069 1.00 0.00 C ATOM 793 OD1 ASN A 53 -17.982 -8.161 9.788 1.00 0.00 O ATOM 794 ND2 ASN A 53 -16.688 -9.940 10.289 1.00 0.00 N ATOM 0 H ASN A 53 -15.612 -7.309 8.004 1.00 0.00 H new ATOM 0 HA ASN A 53 -16.963 -5.996 10.004 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -14.763 -8.158 9.922 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.486 -7.685 11.446 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -17.478 -10.582 10.222 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -15.760 -10.295 10.521 1.00 0.00 H new ATOM 801 N GLU A 54 -13.864 -5.144 9.927 1.00 0.00 N ATOM 802 CA GLU A 54 -13.031 -4.104 10.446 1.00 0.00 C ATOM 803 C GLU A 54 -13.574 -2.717 10.409 1.00 0.00 C ATOM 804 O GLU A 54 -13.489 -1.957 11.373 1.00 0.00 O ATOM 805 CB GLU A 54 -11.696 -4.195 9.689 1.00 0.00 C ATOM 806 CG GLU A 54 -10.545 -3.622 10.519 1.00 0.00 C ATOM 807 CD GLU A 54 -9.242 -3.776 9.749 1.00 0.00 C ATOM 808 OE1 GLU A 54 -9.039 -3.133 8.685 1.00 0.00 O ATOM 809 OE2 GLU A 54 -8.444 -4.701 10.058 1.00 0.00 O ATOM 0 H GLU A 54 -13.477 -5.675 9.147 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.935 -4.280 11.517 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.486 -5.236 9.442 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.772 -3.653 8.746 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.729 -2.570 10.738 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.479 -4.140 11.476 1.00 0.00 H new ATOM 816 N VAL A 55 -14.235 -2.352 9.296 1.00 0.00 N ATOM 817 CA VAL A 55 -14.776 -1.042 9.109 1.00 0.00 C ATOM 818 C VAL A 55 -16.105 -0.872 9.762 1.00 0.00 C ATOM 819 O VAL A 55 -16.556 0.215 10.119 1.00 0.00 O ATOM 820 CB VAL A 55 -14.855 -0.553 7.693 1.00 0.00 C ATOM 821 CG1 VAL A 55 -13.386 -0.279 7.326 1.00 0.00 C ATOM 822 CG2 VAL A 55 -15.625 -1.507 6.765 1.00 0.00 C ATOM 0 H VAL A 55 -14.397 -2.981 8.509 1.00 0.00 H new ATOM 0 HA VAL A 55 -14.032 -0.416 9.602 1.00 0.00 H new ATOM 0 HB VAL A 55 -15.451 0.352 7.573 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -13.329 0.086 6.301 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -12.976 0.471 8.002 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -12.811 -1.201 7.415 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -15.646 -1.095 5.756 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -15.131 -2.478 6.751 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -16.645 -1.625 7.130 1.00 0.00 H new ATOM 832 N ASP A 56 -16.841 -1.982 9.951 1.00 0.00 N ATOM 833 CA ASP A 56 -18.211 -2.102 10.345 1.00 0.00 C ATOM 834 C ASP A 56 -18.465 -1.781 11.778 1.00 0.00 C ATOM 835 O ASP A 56 -18.191 -2.631 12.624 1.00 0.00 O ATOM 836 CB ASP A 56 -18.789 -3.482 9.990 1.00 0.00 C ATOM 837 CG ASP A 56 -20.301 -3.535 10.155 1.00 0.00 C ATOM 838 OD1 ASP A 56 -21.057 -2.555 10.388 1.00 0.00 O ATOM 839 OD2 ASP A 56 -20.751 -4.698 9.973 1.00 0.00 O ATOM 0 H ASP A 56 -16.423 -2.902 9.810 1.00 0.00 H new ATOM 0 HA ASP A 56 -18.734 -1.341 9.766 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -18.529 -3.728 8.960 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -18.330 -4.240 10.625 1.00 0.00 H new ATOM 844 N ALA A 57 -18.906 -0.542 12.061 1.00 0.00 N ATOM 845 CA ALA A 57 -19.142 -0.114 13.405 1.00 0.00 C ATOM 846 C ALA A 57 -20.483 -0.580 13.855 1.00 0.00 C ATOM 847 O ALA A 57 -20.588 -0.984 15.012 1.00 0.00 O ATOM 848 CB ALA A 57 -18.906 1.402 13.289 1.00 0.00 C ATOM 0 H ALA A 57 -19.100 0.167 11.354 1.00 0.00 H new ATOM 0 HA ALA A 57 -18.503 -0.523 14.188 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -19.055 1.869 14.263 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -17.887 1.587 12.950 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -19.609 1.826 12.572 1.00 0.00 H new ATOM 854 N ASP A 58 -21.491 -0.392 12.985 1.00 0.00 N ATOM 855 CA ASP A 58 -22.848 -0.474 13.426 1.00 0.00 C ATOM 856 C ASP A 58 -23.308 -1.884 13.566 1.00 0.00 C ATOM 857 O ASP A 58 -24.000 -2.129 14.553 1.00 0.00 O ATOM 858 CB ASP A 58 -23.806 0.397 12.594 1.00 0.00 C ATOM 859 CG ASP A 58 -23.599 0.150 11.107 1.00 0.00 C ATOM 860 OD1 ASP A 58 -23.891 -0.934 10.534 1.00 0.00 O ATOM 861 OD2 ASP A 58 -22.947 1.011 10.457 1.00 0.00 O ATOM 0 H ASP A 58 -21.371 -0.187 11.993 1.00 0.00 H new ATOM 0 HA ASP A 58 -22.872 -0.045 14.428 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -24.838 0.173 12.865 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -23.638 1.450 12.820 1.00 0.00 H new ATOM 866 N GLY A 59 -22.800 -2.825 12.751 1.00 0.00 N ATOM 867 CA GLY A 59 -22.987 -4.202 13.090 1.00 0.00 C ATOM 868 C GLY A 59 -23.939 -4.917 12.194 1.00 0.00 C ATOM 869 O GLY A 59 -24.404 -6.000 12.546 1.00 0.00 O ATOM 0 H GLY A 59 -22.280 -2.646 11.892 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -22.022 -4.709 13.059 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -23.349 -4.268 14.116 1.00 0.00 H new ATOM 873 N ASN A 60 -24.213 -4.329 11.016 1.00 0.00 N ATOM 874 CA ASN A 60 -25.197 -4.887 10.140 1.00 0.00 C ATOM 875 C ASN A 60 -24.568 -5.849 9.192 1.00 0.00 C ATOM 876 O ASN A 60 -25.251 -6.608 8.507 1.00 0.00 O ATOM 877 CB ASN A 60 -25.986 -3.890 9.275 1.00 0.00 C ATOM 878 CG ASN A 60 -25.100 -2.816 8.661 1.00 0.00 C ATOM 879 OD1 ASN A 60 -23.884 -3.004 8.670 1.00 0.00 O ATOM 880 ND2 ASN A 60 -25.718 -1.722 8.140 1.00 0.00 N ATOM 0 H ASN A 60 -23.762 -3.481 10.673 1.00 0.00 H new ATOM 0 HA ASN A 60 -25.901 -5.350 10.832 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -26.498 -4.431 8.480 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -26.755 -3.416 9.884 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -25.165 -0.978 7.715 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -26.735 -1.646 8.174 1.00 0.00 H new ATOM 887 N GLY A 61 -23.225 -5.899 9.153 1.00 0.00 N ATOM 888 CA GLY A 61 -22.508 -6.824 8.331 1.00 0.00 C ATOM 889 C GLY A 61 -22.283 -6.369 6.930 1.00 0.00 C ATOM 890 O GLY A 61 -21.677 -7.067 6.118 1.00 0.00 O ATOM 0 H GLY A 61 -22.625 -5.285 9.703 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -21.541 -7.025 8.793 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -23.053 -7.767 8.309 1.00 0.00 H new ATOM 894 N THR A 62 -22.790 -5.166 6.608 1.00 0.00 N ATOM 895 CA THR A 62 -22.525 -4.502 5.369 1.00 0.00 C ATOM 896 C THR A 62 -21.812 -3.219 5.628 1.00 0.00 C ATOM 897 O THR A 62 -21.701 -2.817 6.785 1.00 0.00 O ATOM 898 CB THR A 62 -23.766 -4.279 4.557 1.00 0.00 C ATOM 899 OG1 THR A 62 -24.684 -3.476 5.285 1.00 0.00 O ATOM 900 CG2 THR A 62 -24.433 -5.635 4.272 1.00 0.00 C ATOM 0 H THR A 62 -23.404 -4.638 7.229 1.00 0.00 H new ATOM 0 HA THR A 62 -21.886 -5.154 4.773 1.00 0.00 H new ATOM 0 HB THR A 62 -23.495 -3.781 3.626 1.00 0.00 H new ATOM 0 HG1 THR A 62 -25.552 -3.478 4.830 1.00 0.00 H new ATOM 0 HG21 THR A 62 -25.336 -5.479 3.682 1.00 0.00 H new ATOM 0 HG22 THR A 62 -23.742 -6.271 3.718 1.00 0.00 H new ATOM 0 HG23 THR A 62 -24.694 -6.117 5.214 1.00 0.00 H new ATOM 908 N ILE A 63 -21.188 -2.776 4.522 1.00 0.00 N ATOM 909 CA ILE A 63 -20.569 -1.491 4.621 1.00 0.00 C ATOM 910 C ILE A 63 -21.516 -0.458 4.116 1.00 0.00 C ATOM 911 O ILE A 63 -22.067 -0.491 3.017 1.00 0.00 O ATOM 912 CB ILE A 63 -19.391 -1.443 3.693 1.00 0.00 C ATOM 913 CG1 ILE A 63 -18.574 -2.742 3.590 1.00 0.00 C ATOM 914 CG2 ILE A 63 -18.437 -0.336 4.172 1.00 0.00 C ATOM 915 CD1 ILE A 63 -17.529 -2.823 2.478 1.00 0.00 C ATOM 0 H ILE A 63 -21.112 -3.260 3.627 1.00 0.00 H new ATOM 0 HA ILE A 63 -20.283 -1.316 5.658 1.00 0.00 H new ATOM 0 HB ILE A 63 -19.811 -1.263 2.703 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -18.067 -2.899 4.542 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -19.271 -3.570 3.460 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -17.574 -0.287 3.508 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -18.957 0.622 4.162 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -18.103 -0.557 5.186 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -17.027 -3.790 2.520 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -18.018 -2.709 1.510 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -16.795 -2.028 2.610 1.00 0.00 H new ATOM 927 N ASP A 64 -21.939 0.500 4.961 1.00 0.00 N ATOM 928 CA ASP A 64 -22.635 1.717 4.683 1.00 0.00 C ATOM 929 C ASP A 64 -21.647 2.721 4.196 1.00 0.00 C ATOM 930 O ASP A 64 -20.436 2.534 4.093 1.00 0.00 O ATOM 931 CB ASP A 64 -23.460 2.224 5.877 1.00 0.00 C ATOM 932 CG ASP A 64 -24.055 1.164 6.792 1.00 0.00 C ATOM 933 OD1 ASP A 64 -23.313 0.317 7.359 1.00 0.00 O ATOM 934 OD2 ASP A 64 -25.311 1.119 6.884 1.00 0.00 O ATOM 0 H ASP A 64 -21.769 0.404 5.962 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.376 1.533 3.905 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -22.825 2.876 6.478 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -24.274 2.838 5.492 1.00 0.00 H new ATOM 939 N PHE A 65 -22.161 3.874 3.733 1.00 0.00 N ATOM 940 CA PHE A 65 -21.397 4.926 3.138 1.00 0.00 C ATOM 941 C PHE A 65 -20.358 5.583 3.980 1.00 0.00 C ATOM 942 O PHE A 65 -19.211 5.726 3.561 1.00 0.00 O ATOM 943 CB PHE A 65 -22.271 6.112 2.696 1.00 0.00 C ATOM 944 CG PHE A 65 -21.584 7.138 1.862 1.00 0.00 C ATOM 945 CD1 PHE A 65 -21.015 6.751 0.671 1.00 0.00 C ATOM 946 CD2 PHE A 65 -21.444 8.465 2.196 1.00 0.00 C ATOM 947 CE1 PHE A 65 -20.088 7.557 0.054 1.00 0.00 C ATOM 948 CE2 PHE A 65 -20.691 9.399 1.525 1.00 0.00 C ATOM 949 CZ PHE A 65 -20.025 8.875 0.441 1.00 0.00 C ATOM 0 H PHE A 65 -23.159 4.083 3.776 1.00 0.00 H new ATOM 0 HA PHE A 65 -20.924 4.370 2.328 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -23.123 5.725 2.137 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -22.669 6.599 3.586 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -21.297 5.811 0.219 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -21.978 8.806 3.071 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -19.431 7.168 -0.710 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -20.629 10.437 1.818 1.00 0.00 H new ATOM 0 HZ PHE A 65 -19.412 9.544 -0.145 1.00 0.00 H new ATOM 959 N PRO A 66 -20.503 5.982 5.209 1.00 0.00 N ATOM 960 CA PRO A 66 -19.431 6.477 6.021 1.00 0.00 C ATOM 961 C PRO A 66 -18.419 5.466 6.439 1.00 0.00 C ATOM 962 O PRO A 66 -17.288 5.927 6.583 1.00 0.00 O ATOM 963 CB PRO A 66 -20.064 6.962 7.324 1.00 0.00 C ATOM 964 CG PRO A 66 -21.363 6.147 7.425 1.00 0.00 C ATOM 965 CD PRO A 66 -21.757 5.997 5.947 1.00 0.00 C ATOM 0 HA PRO A 66 -18.918 7.227 5.419 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -19.411 6.781 8.178 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -20.265 8.033 7.297 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -21.203 5.182 7.905 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -22.128 6.667 8.001 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -22.320 5.078 5.782 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -22.392 6.822 5.625 1.00 0.00 H new ATOM 973 N GLU A 67 -18.628 4.143 6.559 1.00 0.00 N ATOM 974 CA GLU A 67 -17.554 3.201 6.620 1.00 0.00 C ATOM 975 C GLU A 67 -16.939 2.968 5.283 1.00 0.00 C ATOM 976 O GLU A 67 -15.854 2.390 5.232 1.00 0.00 O ATOM 977 CB GLU A 67 -18.212 1.859 6.982 1.00 0.00 C ATOM 978 CG GLU A 67 -18.919 1.943 8.336 1.00 0.00 C ATOM 979 CD GLU A 67 -19.821 0.740 8.573 1.00 0.00 C ATOM 980 OE1 GLU A 67 -20.341 0.144 7.592 1.00 0.00 O ATOM 981 OE2 GLU A 67 -20.171 0.470 9.753 1.00 0.00 O ATOM 0 H GLU A 67 -19.555 3.721 6.614 1.00 0.00 H new ATOM 0 HA GLU A 67 -16.798 3.566 7.315 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -18.929 1.582 6.210 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -17.455 1.075 7.011 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -18.176 2.004 9.132 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -19.511 2.857 8.382 1.00 0.00 H new ATOM 988 N PHE A 68 -17.561 3.327 4.146 1.00 0.00 N ATOM 989 CA PHE A 68 -17.057 3.179 2.816 1.00 0.00 C ATOM 990 C PHE A 68 -15.977 4.190 2.637 1.00 0.00 C ATOM 991 O PHE A 68 -14.878 3.912 2.161 1.00 0.00 O ATOM 992 CB PHE A 68 -18.141 3.119 1.727 1.00 0.00 C ATOM 993 CG PHE A 68 -17.570 2.976 0.358 1.00 0.00 C ATOM 994 CD1 PHE A 68 -17.257 1.703 -0.056 1.00 0.00 C ATOM 995 CD2 PHE A 68 -17.327 4.094 -0.404 1.00 0.00 C ATOM 996 CE1 PHE A 68 -16.883 1.485 -1.361 1.00 0.00 C ATOM 997 CE2 PHE A 68 -16.843 3.893 -1.675 1.00 0.00 C ATOM 998 CZ PHE A 68 -16.624 2.608 -2.112 1.00 0.00 C ATOM 0 H PHE A 68 -18.487 3.753 4.159 1.00 0.00 H new ATOM 0 HA PHE A 68 -16.615 2.192 2.681 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -18.807 2.280 1.928 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -18.746 4.024 1.772 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -17.305 0.879 0.640 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -17.508 5.087 -0.021 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -16.798 0.490 -1.772 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -16.638 4.733 -2.322 1.00 0.00 H new ATOM 0 HZ PHE A 68 -16.224 2.472 -3.106 1.00 0.00 H new ATOM 1008 N LEU A 69 -16.284 5.403 3.132 1.00 0.00 N ATOM 1009 CA LEU A 69 -15.350 6.486 3.148 1.00 0.00 C ATOM 1010 C LEU A 69 -14.198 6.118 4.018 1.00 0.00 C ATOM 1011 O LEU A 69 -13.023 6.390 3.773 1.00 0.00 O ATOM 1012 CB LEU A 69 -16.135 7.670 3.738 1.00 0.00 C ATOM 1013 CG LEU A 69 -17.147 8.400 2.839 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -17.672 9.609 3.632 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -16.549 8.688 1.451 1.00 0.00 C ATOM 0 H LEU A 69 -17.195 5.635 3.527 1.00 0.00 H new ATOM 0 HA LEU A 69 -14.949 6.727 2.164 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -16.671 7.308 4.615 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -15.411 8.406 4.088 1.00 0.00 H new ATOM 0 HG LEU A 69 -18.015 7.787 2.596 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -18.395 10.155 3.026 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -18.153 9.263 4.547 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -16.841 10.267 3.885 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -17.287 9.205 0.837 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -15.664 9.315 1.559 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -16.272 7.749 0.972 1.00 0.00 H new ATOM 1027 N THR A 70 -14.465 5.418 5.135 1.00 0.00 N ATOM 1028 CA THR A 70 -13.525 4.988 6.122 1.00 0.00 C ATOM 1029 C THR A 70 -12.693 3.911 5.514 1.00 0.00 C ATOM 1030 O THR A 70 -11.550 3.725 5.928 1.00 0.00 O ATOM 1031 CB THR A 70 -14.098 4.347 7.351 1.00 0.00 C ATOM 1032 OG1 THR A 70 -15.004 5.241 7.981 1.00 0.00 O ATOM 1033 CG2 THR A 70 -13.016 4.170 8.429 1.00 0.00 C ATOM 0 H THR A 70 -15.416 5.130 5.364 1.00 0.00 H new ATOM 0 HA THR A 70 -13.008 5.900 6.422 1.00 0.00 H new ATOM 0 HB THR A 70 -14.545 3.407 7.026 1.00 0.00 H new ATOM 0 HG1 THR A 70 -15.742 5.443 7.369 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.454 3.703 9.311 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.217 3.537 8.042 1.00 0.00 H new ATOM 0 HG23 THR A 70 -12.608 5.144 8.699 1.00 0.00 H new ATOM 1041 N MET A 71 -13.147 3.187 4.476 1.00 0.00 N ATOM 1042 CA MET A 71 -12.436 2.249 3.664 1.00 0.00 C ATOM 1043 C MET A 71 -11.571 2.873 2.624 1.00 0.00 C ATOM 1044 O MET A 71 -10.367 2.625 2.595 1.00 0.00 O ATOM 1045 CB MET A 71 -13.314 1.196 2.967 1.00 0.00 C ATOM 1046 CG MET A 71 -12.519 -0.028 2.506 1.00 0.00 C ATOM 1047 SD MET A 71 -13.381 -1.094 1.312 1.00 0.00 S ATOM 1048 CE MET A 71 -14.006 -2.255 2.561 1.00 0.00 C ATOM 0 H MET A 71 -14.118 3.270 4.176 1.00 0.00 H new ATOM 0 HA MET A 71 -11.814 1.751 4.408 1.00 0.00 H new ATOM 0 HB2 MET A 71 -14.101 0.876 3.650 1.00 0.00 H new ATOM 0 HB3 MET A 71 -13.804 1.651 2.106 1.00 0.00 H new ATOM 0 HG2 MET A 71 -11.584 0.311 2.060 1.00 0.00 H new ATOM 0 HG3 MET A 71 -12.257 -0.624 3.380 1.00 0.00 H new ATOM 0 HE1 MET A 71 -14.633 -3.005 2.079 1.00 0.00 H new ATOM 0 HE2 MET A 71 -13.167 -2.746 3.053 1.00 0.00 H new ATOM 0 HE3 MET A 71 -14.594 -1.712 3.301 1.00 0.00 H new ATOM 1058 N MET A 72 -12.186 3.773 1.835 1.00 0.00 N ATOM 1059 CA MET A 72 -11.513 4.547 0.839 1.00 0.00 C ATOM 1060 C MET A 72 -10.474 5.525 1.269 1.00 0.00 C ATOM 1061 O MET A 72 -9.444 5.710 0.623 1.00 0.00 O ATOM 1062 CB MET A 72 -12.543 5.263 -0.050 1.00 0.00 C ATOM 1063 CG MET A 72 -13.611 4.467 -0.803 1.00 0.00 C ATOM 1064 SD MET A 72 -13.033 3.411 -2.165 1.00 0.00 S ATOM 1065 CE MET A 72 -12.988 1.900 -1.158 1.00 0.00 C ATOM 0 H MET A 72 -13.186 3.968 1.893 1.00 0.00 H new ATOM 0 HA MET A 72 -10.935 3.790 0.309 1.00 0.00 H new ATOM 0 HB2 MET A 72 -13.064 5.984 0.580 1.00 0.00 H new ATOM 0 HB3 MET A 72 -11.985 5.833 -0.792 1.00 0.00 H new ATOM 0 HG2 MET A 72 -14.137 3.838 -0.084 1.00 0.00 H new ATOM 0 HG3 MET A 72 -14.340 5.171 -1.204 1.00 0.00 H new ATOM 0 HE1 MET A 72 -12.619 1.071 -1.762 1.00 0.00 H new ATOM 0 HE2 MET A 72 -12.326 2.050 -0.306 1.00 0.00 H new ATOM 0 HE3 MET A 72 -13.992 1.671 -0.801 1.00 0.00 H new ATOM 1075 N ALA A 73 -10.575 6.199 2.429 1.00 0.00 N ATOM 1076 CA ALA A 73 -9.627 7.121 2.971 1.00 0.00 C ATOM 1077 C ALA A 73 -8.353 6.422 3.301 1.00 0.00 C ATOM 1078 O ALA A 73 -7.249 6.898 3.040 1.00 0.00 O ATOM 1079 CB ALA A 73 -10.306 7.712 4.218 1.00 0.00 C ATOM 0 H ALA A 73 -11.387 6.088 3.036 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.358 7.908 2.267 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.637 8.431 4.690 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.230 8.212 3.927 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.534 6.912 4.922 1.00 0.00 H new ATOM 1234 N GLU A 83 4.454 2.816 5.793 1.00 0.00 N ATOM 1235 CA GLU A 83 5.685 3.465 5.462 1.00 0.00 C ATOM 1236 C GLU A 83 6.873 2.610 5.743 1.00 0.00 C ATOM 1237 O GLU A 83 7.831 2.744 4.983 1.00 0.00 O ATOM 1238 CB GLU A 83 5.663 4.861 6.108 1.00 0.00 C ATOM 1239 CG GLU A 83 6.523 5.953 5.468 1.00 0.00 C ATOM 1240 CD GLU A 83 6.077 6.271 4.048 1.00 0.00 C ATOM 1241 OE1 GLU A 83 4.834 6.372 3.865 1.00 0.00 O ATOM 1242 OE2 GLU A 83 6.978 6.496 3.197 1.00 0.00 O ATOM 0 HA GLU A 83 5.785 3.618 4.387 1.00 0.00 H new ATOM 0 HB2 GLU A 83 4.630 5.210 6.118 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.974 4.755 7.147 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.472 6.857 6.075 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.565 5.634 5.458 1.00 0.00 H new ATOM 1249 N GLU A 84 6.680 1.806 6.804 1.00 0.00 N ATOM 1250 CA GLU A 84 7.539 0.743 7.221 1.00 0.00 C ATOM 1251 C GLU A 84 7.517 -0.455 6.334 1.00 0.00 C ATOM 1252 O GLU A 84 8.460 -1.241 6.408 1.00 0.00 O ATOM 1253 CB GLU A 84 7.036 0.300 8.605 1.00 0.00 C ATOM 1254 CG GLU A 84 7.975 -0.565 9.448 1.00 0.00 C ATOM 1255 CD GLU A 84 7.542 -0.795 10.889 1.00 0.00 C ATOM 1256 OE1 GLU A 84 6.783 -1.788 11.048 1.00 0.00 O ATOM 1257 OE2 GLU A 84 7.892 -0.038 11.833 1.00 0.00 O ATOM 0 H GLU A 84 5.867 1.907 7.411 1.00 0.00 H new ATOM 0 HA GLU A 84 8.562 1.120 7.207 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.795 1.195 9.179 1.00 0.00 H new ATOM 0 HB3 GLU A 84 6.105 -0.249 8.466 1.00 0.00 H new ATOM 0 HG2 GLU A 84 8.082 -1.534 8.961 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.961 -0.100 9.454 1.00 0.00 H new ATOM 1264 N ILE A 85 6.446 -0.578 5.529 1.00 0.00 N ATOM 1265 CA ILE A 85 6.443 -1.542 4.472 1.00 0.00 C ATOM 1266 C ILE A 85 7.108 -1.006 3.251 1.00 0.00 C ATOM 1267 O ILE A 85 7.895 -1.791 2.726 1.00 0.00 O ATOM 1268 CB ILE A 85 5.019 -1.924 4.196 1.00 0.00 C ATOM 1269 CG1 ILE A 85 4.421 -2.843 5.274 1.00 0.00 C ATOM 1270 CG2 ILE A 85 4.956 -2.514 2.777 1.00 0.00 C ATOM 1271 CD1 ILE A 85 2.895 -2.891 5.319 1.00 0.00 C ATOM 0 H ILE A 85 5.595 -0.020 5.607 1.00 0.00 H new ATOM 0 HA ILE A 85 7.010 -2.423 4.771 1.00 0.00 H new ATOM 0 HB ILE A 85 4.386 -1.038 4.242 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.795 -3.854 5.114 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.787 -2.518 6.248 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.930 -2.802 2.548 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.293 -1.768 2.057 1.00 0.00 H new ATOM 0 HG23 ILE A 85 5.600 -3.391 2.719 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.575 -3.567 6.112 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.505 -1.892 5.514 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.514 -3.249 4.362 1.00 0.00 H new ATOM 1283 N ARG A 86 7.048 0.314 3.002 1.00 0.00 N ATOM 1284 CA ARG A 86 7.711 0.942 1.901 1.00 0.00 C ATOM 1285 C ARG A 86 9.194 0.819 1.962 1.00 0.00 C ATOM 1286 O ARG A 86 9.874 0.550 0.973 1.00 0.00 O ATOM 1287 CB ARG A 86 7.299 2.421 1.813 1.00 0.00 C ATOM 1288 CG ARG A 86 5.937 2.729 1.189 1.00 0.00 C ATOM 1289 CD ARG A 86 5.699 4.233 1.040 1.00 0.00 C ATOM 1290 NE ARG A 86 4.386 4.385 0.351 1.00 0.00 N ATOM 1291 CZ ARG A 86 3.189 4.679 0.936 1.00 0.00 C ATOM 1292 NH1 ARG A 86 3.084 5.234 2.179 1.00 0.00 N ATOM 1293 NH2 ARG A 86 2.026 4.309 0.325 1.00 0.00 N ATOM 0 H ARG A 86 6.522 0.965 3.585 1.00 0.00 H new ATOM 0 HA ARG A 86 7.395 0.416 1.000 1.00 0.00 H new ATOM 0 HB2 ARG A 86 7.311 2.836 2.821 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.061 2.951 1.241 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.871 2.253 0.210 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.150 2.297 1.807 1.00 0.00 H new ATOM 0 HD2 ARG A 86 5.686 4.722 2.014 1.00 0.00 H new ATOM 0 HD3 ARG A 86 6.497 4.697 0.461 1.00 0.00 H new ATOM 0 HE ARG A 86 4.382 4.256 -0.661 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.925 5.448 2.715 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.164 5.435 2.572 1.00 0.00 H new ATOM 0 HH21 ARG A 86 2.053 3.814 -0.566 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.130 4.527 0.760 1.00 0.00 H new ATOM 1307 N GLU A 87 9.775 0.972 3.165 1.00 0.00 N ATOM 1308 CA GLU A 87 11.196 0.814 3.222 1.00 0.00 C ATOM 1309 C GLU A 87 11.731 -0.573 3.323 1.00 0.00 C ATOM 1310 O GLU A 87 12.944 -0.740 3.436 1.00 0.00 O ATOM 1311 CB GLU A 87 11.637 1.699 4.401 1.00 0.00 C ATOM 1312 CG GLU A 87 11.091 1.263 5.762 1.00 0.00 C ATOM 1313 CD GLU A 87 11.990 1.911 6.805 1.00 0.00 C ATOM 1314 OE1 GLU A 87 12.055 3.165 6.913 1.00 0.00 O ATOM 1315 OE2 GLU A 87 12.681 1.111 7.490 1.00 0.00 O ATOM 0 H GLU A 87 9.303 1.190 4.042 1.00 0.00 H new ATOM 0 HA GLU A 87 11.616 1.111 2.261 1.00 0.00 H new ATOM 0 HB2 GLU A 87 12.726 1.706 4.446 1.00 0.00 H new ATOM 0 HB3 GLU A 87 11.320 2.724 4.208 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.056 1.582 5.887 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.104 0.177 5.857 1.00 0.00 H new ATOM 1322 N ALA A 88 10.865 -1.594 3.451 1.00 0.00 N ATOM 1323 CA ALA A 88 11.206 -2.972 3.273 1.00 0.00 C ATOM 1324 C ALA A 88 11.081 -3.434 1.862 1.00 0.00 C ATOM 1325 O ALA A 88 11.974 -4.112 1.356 1.00 0.00 O ATOM 1326 CB ALA A 88 10.156 -3.814 4.017 1.00 0.00 C ATOM 0 H ALA A 88 9.883 -1.453 3.689 1.00 0.00 H new ATOM 0 HA ALA A 88 12.234 -3.080 3.619 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.389 -4.872 3.900 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.166 -3.555 5.076 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.168 -3.612 3.603 1.00 0.00 H new ATOM 1332 N PHE A 89 10.069 -2.950 1.120 1.00 0.00 N ATOM 1333 CA PHE A 89 9.693 -3.183 -0.240 1.00 0.00 C ATOM 1334 C PHE A 89 10.857 -2.694 -1.032 1.00 0.00 C ATOM 1335 O PHE A 89 11.386 -3.447 -1.847 1.00 0.00 O ATOM 1336 CB PHE A 89 8.445 -2.335 -0.535 1.00 0.00 C ATOM 1337 CG PHE A 89 7.862 -2.530 -1.893 1.00 0.00 C ATOM 1338 CD1 PHE A 89 7.379 -3.770 -2.238 1.00 0.00 C ATOM 1339 CD2 PHE A 89 8.041 -1.586 -2.876 1.00 0.00 C ATOM 1340 CE1 PHE A 89 6.987 -3.945 -3.544 1.00 0.00 C ATOM 1341 CE2 PHE A 89 7.524 -1.698 -4.145 1.00 0.00 C ATOM 1342 CZ PHE A 89 7.081 -2.953 -4.492 1.00 0.00 C ATOM 0 H PHE A 89 9.417 -2.293 1.548 1.00 0.00 H new ATOM 0 HA PHE A 89 9.461 -4.224 -0.467 1.00 0.00 H new ATOM 0 HB2 PHE A 89 7.682 -2.566 0.209 1.00 0.00 H new ATOM 0 HB3 PHE A 89 8.701 -1.283 -0.413 1.00 0.00 H new ATOM 0 HD1 PHE A 89 7.311 -4.570 -1.516 1.00 0.00 H new ATOM 0 HD2 PHE A 89 8.621 -0.706 -2.638 1.00 0.00 H new ATOM 0 HE1 PHE A 89 6.587 -4.904 -3.839 1.00 0.00 H new ATOM 0 HE2 PHE A 89 7.470 -0.859 -4.822 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.805 -3.161 -5.515 1.00 0.00 H new ATOM 1352 N ARG A 90 11.385 -1.484 -0.773 1.00 0.00 N ATOM 1353 CA ARG A 90 12.467 -0.863 -1.472 1.00 0.00 C ATOM 1354 C ARG A 90 13.814 -1.374 -1.093 1.00 0.00 C ATOM 1355 O ARG A 90 14.770 -1.223 -1.852 1.00 0.00 O ATOM 1356 CB ARG A 90 12.369 0.668 -1.361 1.00 0.00 C ATOM 1357 CG ARG A 90 13.523 1.342 -2.106 1.00 0.00 C ATOM 1358 CD ARG A 90 13.329 2.860 -2.099 1.00 0.00 C ATOM 1359 NE ARG A 90 12.157 3.102 -2.987 1.00 0.00 N ATOM 1360 CZ ARG A 90 11.452 4.270 -2.979 1.00 0.00 C ATOM 1361 NH1 ARG A 90 11.950 5.380 -2.361 1.00 0.00 N ATOM 1362 NH2 ARG A 90 10.286 4.390 -3.679 1.00 0.00 N ATOM 0 H ARG A 90 11.028 -0.898 -0.019 1.00 0.00 H new ATOM 0 HA ARG A 90 12.359 -1.143 -2.520 1.00 0.00 H new ATOM 0 HB2 ARG A 90 11.418 1.007 -1.772 1.00 0.00 H new ATOM 0 HB3 ARG A 90 12.386 0.963 -0.312 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.472 1.085 -1.634 1.00 0.00 H new ATOM 0 HG3 ARG A 90 13.568 0.977 -3.132 1.00 0.00 H new ATOM 0 HD2 ARG A 90 13.143 3.230 -1.091 1.00 0.00 H new ATOM 0 HD3 ARG A 90 14.217 3.373 -2.468 1.00 0.00 H new ATOM 0 HE ARG A 90 11.870 2.363 -3.628 1.00 0.00 H new ATOM 0 HH11 ARG A 90 12.858 5.342 -1.899 1.00 0.00 H new ATOM 0 HH12 ARG A 90 11.414 6.248 -2.362 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.931 3.600 -4.218 1.00 0.00 H new ATOM 0 HH22 ARG A 90 9.770 5.270 -3.663 1.00 0.00 H new ATOM 1376 N VAL A 91 13.953 -2.070 0.050 1.00 0.00 N ATOM 1377 CA VAL A 91 15.207 -2.649 0.419 1.00 0.00 C ATOM 1378 C VAL A 91 15.383 -3.917 -0.343 1.00 0.00 C ATOM 1379 O VAL A 91 16.477 -4.227 -0.813 1.00 0.00 O ATOM 1380 CB VAL A 91 15.341 -2.889 1.894 1.00 0.00 C ATOM 1381 CG1 VAL A 91 16.276 -4.041 2.298 1.00 0.00 C ATOM 1382 CG2 VAL A 91 15.808 -1.665 2.699 1.00 0.00 C ATOM 0 H VAL A 91 13.198 -2.231 0.717 1.00 0.00 H new ATOM 0 HA VAL A 91 15.993 -1.937 0.168 1.00 0.00 H new ATOM 0 HB VAL A 91 14.311 -3.148 2.140 1.00 0.00 H new ATOM 0 HG11 VAL A 91 16.299 -4.127 3.384 1.00 0.00 H new ATOM 0 HG12 VAL A 91 15.911 -4.974 1.868 1.00 0.00 H new ATOM 0 HG13 VAL A 91 17.281 -3.840 1.928 1.00 0.00 H new ATOM 0 HG21 VAL A 91 15.877 -1.928 3.754 1.00 0.00 H new ATOM 0 HG22 VAL A 91 16.786 -1.345 2.340 1.00 0.00 H new ATOM 0 HG23 VAL A 91 15.092 -0.853 2.574 1.00 0.00 H new ATOM 1392 N PHE A 92 14.235 -4.566 -0.609 1.00 0.00 N ATOM 1393 CA PHE A 92 14.103 -5.827 -1.270 1.00 0.00 C ATOM 1394 C PHE A 92 14.058 -5.691 -2.753 1.00 0.00 C ATOM 1395 O PHE A 92 14.682 -6.453 -3.490 1.00 0.00 O ATOM 1396 CB PHE A 92 12.800 -6.537 -0.865 1.00 0.00 C ATOM 1397 CG PHE A 92 12.674 -7.039 0.532 1.00 0.00 C ATOM 1398 CD1 PHE A 92 13.670 -7.680 1.230 1.00 0.00 C ATOM 1399 CD2 PHE A 92 11.511 -6.826 1.233 1.00 0.00 C ATOM 1400 CE1 PHE A 92 13.605 -8.055 2.551 1.00 0.00 C ATOM 1401 CE2 PHE A 92 11.388 -7.155 2.563 1.00 0.00 C ATOM 1402 CZ PHE A 92 12.447 -7.736 3.220 1.00 0.00 C ATOM 0 H PHE A 92 13.331 -4.178 -0.341 1.00 0.00 H new ATOM 0 HA PHE A 92 14.981 -6.399 -0.968 1.00 0.00 H new ATOM 0 HB2 PHE A 92 11.976 -5.847 -1.046 1.00 0.00 H new ATOM 0 HB3 PHE A 92 12.660 -7.384 -1.537 1.00 0.00 H new ATOM 0 HD1 PHE A 92 14.580 -7.908 0.695 1.00 0.00 H new ATOM 0 HD2 PHE A 92 10.667 -6.386 0.723 1.00 0.00 H new ATOM 0 HE1 PHE A 92 14.419 -8.572 3.037 1.00 0.00 H new ATOM 0 HE2 PHE A 92 10.465 -6.958 3.088 1.00 0.00 H new ATOM 0 HZ PHE A 92 12.368 -7.945 4.277 1.00 0.00 H new ATOM 1412 N ASP A 93 13.486 -4.589 -3.268 1.00 0.00 N ATOM 1413 CA ASP A 93 13.668 -4.336 -4.664 1.00 0.00 C ATOM 1414 C ASP A 93 15.090 -4.011 -4.971 1.00 0.00 C ATOM 1415 O ASP A 93 15.610 -3.026 -4.449 1.00 0.00 O ATOM 1416 CB ASP A 93 12.654 -3.309 -5.195 1.00 0.00 C ATOM 1417 CG ASP A 93 12.635 -3.141 -6.708 1.00 0.00 C ATOM 1418 OD1 ASP A 93 13.396 -3.856 -7.413 1.00 0.00 O ATOM 1419 OD2 ASP A 93 11.790 -2.317 -7.149 1.00 0.00 O ATOM 0 H ASP A 93 12.928 -3.907 -2.754 1.00 0.00 H new ATOM 0 HA ASP A 93 13.452 -5.252 -5.213 1.00 0.00 H new ATOM 0 HB2 ASP A 93 11.657 -3.602 -4.865 1.00 0.00 H new ATOM 0 HB3 ASP A 93 12.868 -2.342 -4.741 1.00 0.00 H new ATOM 1424 N LYS A 94 15.686 -4.867 -5.819 1.00 0.00 N ATOM 1425 CA LYS A 94 17.101 -4.863 -6.026 1.00 0.00 C ATOM 1426 C LYS A 94 17.662 -3.835 -6.947 1.00 0.00 C ATOM 1427 O LYS A 94 18.443 -2.967 -6.560 1.00 0.00 O ATOM 1428 CB LYS A 94 17.523 -6.315 -6.312 1.00 0.00 C ATOM 1429 CG LYS A 94 19.037 -6.486 -6.453 1.00 0.00 C ATOM 1430 CD LYS A 94 19.496 -7.901 -6.813 1.00 0.00 C ATOM 1431 CE LYS A 94 20.985 -8.252 -6.828 1.00 0.00 C ATOM 1432 NZ LYS A 94 21.559 -8.107 -5.471 1.00 0.00 N ATOM 0 H LYS A 94 15.184 -5.567 -6.365 1.00 0.00 H new ATOM 0 HA LYS A 94 17.572 -4.507 -5.110 1.00 0.00 H new ATOM 0 HB2 LYS A 94 17.165 -6.956 -5.506 1.00 0.00 H new ATOM 0 HB3 LYS A 94 17.039 -6.654 -7.228 1.00 0.00 H new ATOM 0 HG2 LYS A 94 19.396 -5.798 -7.218 1.00 0.00 H new ATOM 0 HG3 LYS A 94 19.510 -6.194 -5.515 1.00 0.00 H new ATOM 0 HD2 LYS A 94 19.011 -8.584 -6.116 1.00 0.00 H new ATOM 0 HD3 LYS A 94 19.102 -8.125 -7.804 1.00 0.00 H new ATOM 0 HE2 LYS A 94 21.121 -9.274 -7.181 1.00 0.00 H new ATOM 0 HE3 LYS A 94 21.512 -7.601 -7.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 22.570 -8.348 -5.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 21.445 -7.125 -5.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 21.066 -8.746 -4.815 1.00 0.00 H new ATOM 1446 N ASP A 95 17.156 -3.787 -8.193 1.00 0.00 N ATOM 1447 CA ASP A 95 17.437 -2.739 -9.124 1.00 0.00 C ATOM 1448 C ASP A 95 16.651 -1.509 -8.822 1.00 0.00 C ATOM 1449 O ASP A 95 17.056 -0.399 -9.165 1.00 0.00 O ATOM 1450 CB ASP A 95 17.184 -3.198 -10.570 1.00 0.00 C ATOM 1451 CG ASP A 95 15.799 -3.760 -10.857 1.00 0.00 C ATOM 1452 OD1 ASP A 95 14.923 -3.883 -9.960 1.00 0.00 O ATOM 1453 OD2 ASP A 95 15.520 -3.997 -12.063 1.00 0.00 O ATOM 0 H ASP A 95 16.530 -4.502 -8.564 1.00 0.00 H new ATOM 0 HA ASP A 95 18.494 -2.494 -9.021 1.00 0.00 H new ATOM 0 HB2 ASP A 95 17.356 -2.351 -11.235 1.00 0.00 H new ATOM 0 HB3 ASP A 95 17.923 -3.958 -10.824 1.00 0.00 H new ATOM 1458 N GLY A 96 15.480 -1.607 -8.169 1.00 0.00 N ATOM 1459 CA GLY A 96 14.684 -0.573 -7.583 1.00 0.00 C ATOM 1460 C GLY A 96 13.851 0.093 -8.623 1.00 0.00 C ATOM 1461 O GLY A 96 13.875 1.318 -8.735 1.00 0.00 O ATOM 0 H GLY A 96 15.043 -2.519 -8.038 1.00 0.00 H new ATOM 0 HA2 GLY A 96 14.043 -0.994 -6.809 1.00 0.00 H new ATOM 0 HA3 GLY A 96 15.328 0.161 -7.099 1.00 0.00 H new ATOM 1465 N ASN A 97 13.022 -0.654 -9.374 1.00 0.00 N ATOM 1466 CA ASN A 97 12.174 -0.084 -10.375 1.00 0.00 C ATOM 1467 C ASN A 97 10.810 0.207 -9.850 1.00 0.00 C ATOM 1468 O ASN A 97 10.074 0.986 -10.454 1.00 0.00 O ATOM 1469 CB ASN A 97 12.150 -1.002 -11.609 1.00 0.00 C ATOM 1470 CG ASN A 97 11.731 -2.446 -11.373 1.00 0.00 C ATOM 1471 OD1 ASN A 97 12.152 -3.127 -10.439 1.00 0.00 O ATOM 1472 ND2 ASN A 97 10.846 -3.011 -12.237 1.00 0.00 N ATOM 0 H ASN A 97 12.939 -1.667 -9.286 1.00 0.00 H new ATOM 0 HA ASN A 97 12.582 0.881 -10.676 1.00 0.00 H new ATOM 0 HB2 ASN A 97 11.474 -0.567 -12.345 1.00 0.00 H new ATOM 0 HB3 ASN A 97 13.146 -1.004 -12.052 1.00 0.00 H new ATOM 0 HD21 ASN A 97 10.547 -3.977 -12.102 1.00 0.00 H new ATOM 0 HD22 ASN A 97 10.481 -2.469 -13.020 1.00 0.00 H new ATOM 1479 N GLY A 98 10.332 -0.588 -8.877 1.00 0.00 N ATOM 1480 CA GLY A 98 9.015 -0.500 -8.326 1.00 0.00 C ATOM 1481 C GLY A 98 8.411 -1.840 -8.082 1.00 0.00 C ATOM 1482 O GLY A 98 7.376 -1.868 -7.417 1.00 0.00 O ATOM 0 H GLY A 98 10.891 -1.329 -8.454 1.00 0.00 H new ATOM 0 HA2 GLY A 98 9.053 0.055 -7.389 1.00 0.00 H new ATOM 0 HA3 GLY A 98 8.377 0.065 -9.005 1.00 0.00 H new ATOM 1486 N TYR A 99 9.081 -2.929 -8.500 1.00 0.00 N ATOM 1487 CA TYR A 99 8.490 -4.229 -8.577 1.00 0.00 C ATOM 1488 C TYR A 99 9.554 -5.187 -8.164 1.00 0.00 C ATOM 1489 O TYR A 99 10.690 -5.106 -8.629 1.00 0.00 O ATOM 1490 CB TYR A 99 8.152 -4.642 -10.019 1.00 0.00 C ATOM 1491 CG TYR A 99 7.191 -3.668 -10.610 1.00 0.00 C ATOM 1492 CD1 TYR A 99 5.848 -3.806 -10.351 1.00 0.00 C ATOM 1493 CD2 TYR A 99 7.556 -2.469 -11.176 1.00 0.00 C ATOM 1494 CE1 TYR A 99 4.908 -2.822 -10.551 1.00 0.00 C ATOM 1495 CE2 TYR A 99 6.654 -1.471 -11.459 1.00 0.00 C ATOM 1496 CZ TYR A 99 5.339 -1.635 -11.095 1.00 0.00 C ATOM 1497 OH TYR A 99 4.384 -0.609 -11.259 1.00 0.00 O ATOM 0 H TYR A 99 10.058 -2.905 -8.792 1.00 0.00 H new ATOM 0 HA TYR A 99 7.584 -4.227 -7.971 1.00 0.00 H new ATOM 0 HB2 TYR A 99 9.061 -4.680 -10.619 1.00 0.00 H new ATOM 0 HB3 TYR A 99 7.722 -5.643 -10.029 1.00 0.00 H new ATOM 0 HD1 TYR A 99 5.507 -4.754 -9.963 1.00 0.00 H new ATOM 0 HD2 TYR A 99 8.598 -2.304 -11.409 1.00 0.00 H new ATOM 0 HE1 TYR A 99 3.871 -2.976 -10.291 1.00 0.00 H new ATOM 0 HE2 TYR A 99 6.975 -0.570 -11.961 1.00 0.00 H new ATOM 0 HH TYR A 99 4.814 0.179 -11.652 1.00 0.00 H new ATOM 1507 N ILE A 100 9.101 -6.133 -7.322 1.00 0.00 N ATOM 1508 CA ILE A 100 9.927 -7.200 -6.850 1.00 0.00 C ATOM 1509 C ILE A 100 9.657 -8.416 -7.667 1.00 0.00 C ATOM 1510 O ILE A 100 8.540 -8.911 -7.527 1.00 0.00 O ATOM 1511 CB ILE A 100 9.750 -7.578 -5.409 1.00 0.00 C ATOM 1512 CG1 ILE A 100 9.416 -6.363 -4.526 1.00 0.00 C ATOM 1513 CG2 ILE A 100 11.097 -8.189 -4.988 1.00 0.00 C ATOM 1514 CD1 ILE A 100 9.102 -6.770 -3.088 1.00 0.00 C ATOM 0 H ILE A 100 8.146 -6.157 -6.963 1.00 0.00 H new ATOM 0 HA ILE A 100 10.946 -6.826 -6.945 1.00 0.00 H new ATOM 0 HB ILE A 100 8.916 -8.270 -5.288 1.00 0.00 H new ATOM 0 HG12 ILE A 100 10.257 -5.669 -4.531 1.00 0.00 H new ATOM 0 HG13 ILE A 100 8.562 -5.832 -4.947 1.00 0.00 H new ATOM 0 HG21 ILE A 100 11.048 -8.492 -3.942 1.00 0.00 H new ATOM 0 HG22 ILE A 100 11.311 -9.059 -5.608 1.00 0.00 H new ATOM 0 HG23 ILE A 100 11.888 -7.449 -5.115 1.00 0.00 H new ATOM 0 HD11 ILE A 100 8.872 -5.881 -2.500 1.00 0.00 H new ATOM 0 HD12 ILE A 100 8.244 -7.443 -3.079 1.00 0.00 H new ATOM 0 HD13 ILE A 100 9.965 -7.277 -2.657 1.00 0.00 H new ATOM 1526 N SER A 101 10.605 -8.829 -8.529 1.00 0.00 N ATOM 1527 CA SER A 101 10.362 -9.987 -9.331 1.00 0.00 C ATOM 1528 C SER A 101 10.497 -11.138 -8.394 1.00 0.00 C ATOM 1529 O SER A 101 11.190 -11.072 -7.380 1.00 0.00 O ATOM 1530 CB SER A 101 11.312 -10.115 -10.534 1.00 0.00 C ATOM 1531 OG SER A 101 12.635 -10.298 -10.054 1.00 0.00 O ATOM 0 H SER A 101 11.510 -8.379 -8.668 1.00 0.00 H new ATOM 0 HA SER A 101 9.374 -9.936 -9.790 1.00 0.00 H new ATOM 0 HB2 SER A 101 11.017 -10.958 -11.160 1.00 0.00 H new ATOM 0 HB3 SER A 101 11.256 -9.222 -11.156 1.00 0.00 H new ATOM 0 HG SER A 101 12.939 -9.478 -9.612 1.00 0.00 H new ATOM 1537 N ALA A 102 9.873 -12.301 -8.649 1.00 0.00 N ATOM 1538 CA ALA A 102 10.099 -13.507 -7.914 1.00 0.00 C ATOM 1539 C ALA A 102 11.507 -13.926 -7.664 1.00 0.00 C ATOM 1540 O ALA A 102 11.772 -14.150 -6.484 1.00 0.00 O ATOM 1541 CB ALA A 102 9.445 -14.764 -8.511 1.00 0.00 C ATOM 0 H ALA A 102 9.185 -12.406 -9.395 1.00 0.00 H new ATOM 0 HA ALA A 102 9.639 -13.182 -6.980 1.00 0.00 H new ATOM 0 HB1 ALA A 102 9.673 -15.626 -7.884 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.365 -14.625 -8.558 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.833 -14.934 -9.515 1.00 0.00 H new ATOM 1547 N ALA A 103 12.532 -13.708 -8.507 1.00 0.00 N ATOM 1548 CA ALA A 103 13.925 -13.844 -8.209 1.00 0.00 C ATOM 1549 C ALA A 103 14.408 -12.989 -7.089 1.00 0.00 C ATOM 1550 O ALA A 103 15.213 -13.393 -6.251 1.00 0.00 O ATOM 1551 CB ALA A 103 14.693 -13.477 -9.490 1.00 0.00 C ATOM 0 H ALA A 103 12.374 -13.414 -9.471 1.00 0.00 H new ATOM 0 HA ALA A 103 14.094 -14.870 -7.882 1.00 0.00 H new ATOM 0 HB1 ALA A 103 15.764 -13.566 -9.310 1.00 0.00 H new ATOM 0 HB2 ALA A 103 14.402 -14.153 -10.295 1.00 0.00 H new ATOM 0 HB3 ALA A 103 14.457 -12.451 -9.774 1.00 0.00 H new ATOM 1557 N GLU A 104 13.982 -11.714 -7.042 1.00 0.00 N ATOM 1558 CA GLU A 104 14.326 -10.814 -5.986 1.00 0.00 C ATOM 1559 C GLU A 104 13.533 -11.071 -4.751 1.00 0.00 C ATOM 1560 O GLU A 104 14.094 -11.110 -3.657 1.00 0.00 O ATOM 1561 CB GLU A 104 13.966 -9.406 -6.491 1.00 0.00 C ATOM 1562 CG GLU A 104 14.883 -8.791 -7.550 1.00 0.00 C ATOM 1563 CD GLU A 104 14.274 -7.603 -8.281 1.00 0.00 C ATOM 1564 OE1 GLU A 104 13.157 -7.629 -8.864 1.00 0.00 O ATOM 1565 OE2 GLU A 104 14.868 -6.495 -8.195 1.00 0.00 O ATOM 0 H GLU A 104 13.384 -11.299 -7.756 1.00 0.00 H new ATOM 0 HA GLU A 104 15.380 -10.932 -5.737 1.00 0.00 H new ATOM 0 HB2 GLU A 104 12.955 -9.440 -6.897 1.00 0.00 H new ATOM 0 HB3 GLU A 104 13.942 -8.734 -5.633 1.00 0.00 H new ATOM 0 HG2 GLU A 104 15.811 -8.475 -7.073 1.00 0.00 H new ATOM 0 HG3 GLU A 104 15.145 -9.558 -8.279 1.00 0.00 H new ATOM 1572 N LEU A 105 12.258 -11.478 -4.880 1.00 0.00 N ATOM 1573 CA LEU A 105 11.343 -11.617 -3.791 1.00 0.00 C ATOM 1574 C LEU A 105 11.703 -12.801 -2.961 1.00 0.00 C ATOM 1575 O LEU A 105 11.554 -12.803 -1.740 1.00 0.00 O ATOM 1576 CB LEU A 105 9.844 -11.639 -4.135 1.00 0.00 C ATOM 1577 CG LEU A 105 8.829 -11.831 -2.996 1.00 0.00 C ATOM 1578 CD1 LEU A 105 8.377 -10.489 -2.397 1.00 0.00 C ATOM 1579 CD2 LEU A 105 7.554 -12.610 -3.365 1.00 0.00 C ATOM 0 H LEU A 105 11.848 -11.720 -5.782 1.00 0.00 H new ATOM 0 HA LEU A 105 11.464 -10.689 -3.232 1.00 0.00 H new ATOM 0 HB2 LEU A 105 9.606 -10.701 -4.636 1.00 0.00 H new ATOM 0 HB3 LEU A 105 9.683 -12.437 -4.860 1.00 0.00 H new ATOM 0 HG LEU A 105 9.391 -12.428 -2.278 1.00 0.00 H new ATOM 0 HD11 LEU A 105 7.661 -10.671 -1.596 1.00 0.00 H new ATOM 0 HD12 LEU A 105 9.242 -9.959 -1.997 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.908 -9.884 -3.173 1.00 0.00 H new ATOM 0 HD21 LEU A 105 6.909 -12.687 -2.490 1.00 0.00 H new ATOM 0 HD22 LEU A 105 7.025 -12.086 -4.161 1.00 0.00 H new ATOM 0 HD23 LEU A 105 7.824 -13.610 -3.706 1.00 0.00 H new ATOM 1591 N ARG A 106 12.290 -13.803 -3.640 1.00 0.00 N ATOM 1592 CA ARG A 106 12.870 -14.970 -3.051 1.00 0.00 C ATOM 1593 C ARG A 106 14.168 -14.743 -2.356 1.00 0.00 C ATOM 1594 O ARG A 106 14.305 -14.942 -1.150 1.00 0.00 O ATOM 1595 CB ARG A 106 13.226 -15.977 -4.158 1.00 0.00 C ATOM 1596 CG ARG A 106 13.730 -17.359 -3.739 1.00 0.00 C ATOM 1597 CD ARG A 106 13.858 -18.293 -4.945 1.00 0.00 C ATOM 1598 NE ARG A 106 14.022 -19.741 -4.636 1.00 0.00 N ATOM 1599 CZ ARG A 106 15.125 -20.267 -4.029 1.00 0.00 C ATOM 1600 NH1 ARG A 106 16.088 -19.447 -3.514 1.00 0.00 N ATOM 1601 NH2 ARG A 106 15.262 -21.616 -3.871 1.00 0.00 N ATOM 0 H ARG A 106 12.364 -13.798 -4.657 1.00 0.00 H new ATOM 0 HA ARG A 106 12.120 -15.308 -2.336 1.00 0.00 H new ATOM 0 HB2 ARG A 106 12.340 -16.119 -4.777 1.00 0.00 H new ATOM 0 HB3 ARG A 106 13.988 -15.522 -4.791 1.00 0.00 H new ATOM 0 HG2 ARG A 106 14.698 -17.262 -3.247 1.00 0.00 H new ATOM 0 HG3 ARG A 106 13.045 -17.793 -3.011 1.00 0.00 H new ATOM 0 HD2 ARG A 106 12.972 -18.173 -5.568 1.00 0.00 H new ATOM 0 HD3 ARG A 106 14.712 -17.970 -5.540 1.00 0.00 H new ATOM 0 HE ARG A 106 13.266 -20.376 -4.893 1.00 0.00 H new ATOM 0 HH11 ARG A 106 15.985 -18.434 -3.582 1.00 0.00 H new ATOM 0 HH12 ARG A 106 16.910 -19.847 -3.062 1.00 0.00 H new ATOM 0 HH21 ARG A 106 14.534 -22.246 -4.209 1.00 0.00 H new ATOM 0 HH22 ARG A 106 16.092 -21.994 -3.415 1.00 0.00 H new ATOM 1615 N HIS A 107 15.194 -14.298 -3.104 1.00 0.00 N ATOM 1616 CA HIS A 107 16.544 -13.994 -2.745 1.00 0.00 C ATOM 1617 C HIS A 107 16.649 -12.956 -1.681 1.00 0.00 C ATOM 1618 O HIS A 107 17.270 -13.314 -0.681 1.00 0.00 O ATOM 1619 CB HIS A 107 17.357 -13.630 -3.999 1.00 0.00 C ATOM 1620 CG HIS A 107 18.763 -13.140 -3.822 1.00 0.00 C ATOM 1621 ND1 HIS A 107 19.575 -13.827 -2.942 1.00 0.00 N ATOM 1622 CD2 HIS A 107 19.435 -12.022 -4.209 1.00 0.00 C ATOM 1623 CE1 HIS A 107 20.707 -13.077 -2.865 1.00 0.00 C ATOM 1624 NE2 HIS A 107 20.675 -11.985 -3.605 1.00 0.00 N ATOM 0 H HIS A 107 15.050 -14.130 -4.100 1.00 0.00 H new ATOM 0 HA HIS A 107 16.975 -14.893 -2.305 1.00 0.00 H new ATOM 0 HB2 HIS A 107 17.391 -14.511 -4.639 1.00 0.00 H new ATOM 0 HB3 HIS A 107 16.804 -12.863 -4.541 1.00 0.00 H new ATOM 0 HD2 HIS A 107 19.054 -11.274 -4.889 1.00 0.00 H new ATOM 0 HE1 HIS A 107 21.555 -13.350 -2.254 1.00 0.00 H new ATOM 0 HE2 HIS A 107 21.401 -11.276 -3.707 1.00 0.00 H new ATOM 1632 N VAL A 108 16.109 -11.742 -1.891 1.00 0.00 N ATOM 1633 CA VAL A 108 16.382 -10.625 -1.041 1.00 0.00 C ATOM 1634 C VAL A 108 15.762 -10.840 0.297 1.00 0.00 C ATOM 1635 O VAL A 108 16.415 -10.529 1.292 1.00 0.00 O ATOM 1636 CB VAL A 108 16.307 -9.185 -1.454 1.00 0.00 C ATOM 1637 CG1 VAL A 108 17.256 -8.286 -0.644 1.00 0.00 C ATOM 1638 CG2 VAL A 108 16.619 -9.051 -2.954 1.00 0.00 C ATOM 0 H VAL A 108 15.474 -11.533 -2.661 1.00 0.00 H new ATOM 0 HA VAL A 108 17.470 -10.682 -1.087 1.00 0.00 H new ATOM 0 HB VAL A 108 15.290 -8.848 -1.252 1.00 0.00 H new ATOM 0 HG11 VAL A 108 17.160 -7.255 -0.985 1.00 0.00 H new ATOM 0 HG12 VAL A 108 16.998 -8.344 0.413 1.00 0.00 H new ATOM 0 HG13 VAL A 108 18.284 -8.621 -0.786 1.00 0.00 H new ATOM 0 HG21 VAL A 108 16.562 -8.002 -3.245 1.00 0.00 H new ATOM 0 HG22 VAL A 108 17.622 -9.429 -3.152 1.00 0.00 H new ATOM 0 HG23 VAL A 108 15.894 -9.627 -3.529 1.00 0.00 H new ATOM 1648 N MET A 109 14.535 -11.392 0.294 1.00 0.00 N ATOM 1649 CA MET A 109 13.918 -11.830 1.507 1.00 0.00 C ATOM 1650 C MET A 109 14.767 -12.755 2.310 1.00 0.00 C ATOM 1651 O MET A 109 14.982 -12.604 3.512 1.00 0.00 O ATOM 1652 CB MET A 109 12.441 -12.236 1.372 1.00 0.00 C ATOM 1653 CG MET A 109 11.564 -11.051 0.964 1.00 0.00 C ATOM 1654 SD MET A 109 9.808 -11.504 0.830 1.00 0.00 S ATOM 1655 CE MET A 109 9.285 -10.764 2.403 1.00 0.00 C ATOM 0 H MET A 109 13.972 -11.534 -0.545 1.00 0.00 H new ATOM 0 HA MET A 109 13.855 -10.933 2.123 1.00 0.00 H new ATOM 0 HB2 MET A 109 12.348 -13.030 0.631 1.00 0.00 H new ATOM 0 HB3 MET A 109 12.087 -12.642 2.320 1.00 0.00 H new ATOM 0 HG2 MET A 109 11.675 -10.251 1.696 1.00 0.00 H new ATOM 0 HG3 MET A 109 11.910 -10.659 0.008 1.00 0.00 H new ATOM 0 HE1 MET A 109 8.215 -10.921 2.541 1.00 0.00 H new ATOM 0 HE2 MET A 109 9.829 -11.231 3.224 1.00 0.00 H new ATOM 0 HE3 MET A 109 9.496 -9.695 2.390 1.00 0.00 H new ATOM 1665 N THR A 110 15.405 -13.717 1.621 1.00 0.00 N ATOM 1666 CA THR A 110 16.318 -14.615 2.257 1.00 0.00 C ATOM 1667 C THR A 110 17.561 -13.950 2.741 1.00 0.00 C ATOM 1668 O THR A 110 18.083 -14.246 3.814 1.00 0.00 O ATOM 1669 CB THR A 110 16.681 -15.825 1.448 1.00 0.00 C ATOM 1670 OG1 THR A 110 15.500 -16.473 0.998 1.00 0.00 O ATOM 1671 CG2 THR A 110 17.580 -16.864 2.138 1.00 0.00 C ATOM 0 H THR A 110 15.288 -13.874 0.620 1.00 0.00 H new ATOM 0 HA THR A 110 15.747 -14.964 3.117 1.00 0.00 H new ATOM 0 HB THR A 110 17.278 -15.427 0.628 1.00 0.00 H new ATOM 0 HG1 THR A 110 15.089 -15.944 0.283 1.00 0.00 H new ATOM 0 HG21 THR A 110 17.772 -17.691 1.454 1.00 0.00 H new ATOM 0 HG22 THR A 110 18.525 -16.398 2.419 1.00 0.00 H new ATOM 0 HG23 THR A 110 17.081 -17.241 3.031 1.00 0.00 H new ATOM 1679 N ASN A 111 18.126 -13.042 1.925 1.00 0.00 N ATOM 1680 CA ASN A 111 19.377 -12.401 2.187 1.00 0.00 C ATOM 1681 C ASN A 111 19.291 -11.534 3.396 1.00 0.00 C ATOM 1682 O ASN A 111 20.213 -11.421 4.201 1.00 0.00 O ATOM 1683 CB ASN A 111 19.841 -11.623 0.945 1.00 0.00 C ATOM 1684 CG ASN A 111 21.260 -11.091 1.089 1.00 0.00 C ATOM 1685 OD1 ASN A 111 22.227 -11.851 1.117 1.00 0.00 O ATOM 1686 ND2 ASN A 111 21.378 -9.773 1.403 1.00 0.00 N ATOM 0 H ASN A 111 17.695 -12.743 1.050 1.00 0.00 H new ATOM 0 HA ASN A 111 20.127 -13.162 2.401 1.00 0.00 H new ATOM 0 HB2 ASN A 111 19.787 -12.273 0.072 1.00 0.00 H new ATOM 0 HB3 ASN A 111 19.160 -10.791 0.766 1.00 0.00 H new ATOM 0 HD21 ASN A 111 22.286 -9.392 1.670 1.00 0.00 H new ATOM 0 HD22 ASN A 111 20.559 -9.166 1.371 1.00 0.00 H new ATOM 1693 N LEU A 112 18.108 -10.941 3.637 1.00 0.00 N ATOM 1694 CA LEU A 112 17.752 -10.222 4.821 1.00 0.00 C ATOM 1695 C LEU A 112 17.638 -11.007 6.082 1.00 0.00 C ATOM 1696 O LEU A 112 18.430 -10.832 7.007 1.00 0.00 O ATOM 1697 CB LEU A 112 16.568 -9.248 4.693 1.00 0.00 C ATOM 1698 CG LEU A 112 16.345 -8.187 5.783 1.00 0.00 C ATOM 1699 CD1 LEU A 112 16.959 -6.829 5.402 1.00 0.00 C ATOM 1700 CD2 LEU A 112 14.900 -7.971 6.265 1.00 0.00 C ATOM 0 H LEU A 112 17.348 -10.966 2.957 1.00 0.00 H new ATOM 0 HA LEU A 112 18.656 -9.621 4.919 1.00 0.00 H new ATOM 0 HB2 LEU A 112 16.676 -8.724 3.743 1.00 0.00 H new ATOM 0 HB3 LEU A 112 15.659 -9.845 4.626 1.00 0.00 H new ATOM 0 HG LEU A 112 16.867 -8.627 6.633 1.00 0.00 H new ATOM 0 HD11 LEU A 112 16.777 -6.110 6.201 1.00 0.00 H new ATOM 0 HD12 LEU A 112 18.033 -6.944 5.255 1.00 0.00 H new ATOM 0 HD13 LEU A 112 16.503 -6.469 4.480 1.00 0.00 H new ATOM 0 HD21 LEU A 112 14.884 -7.197 7.033 1.00 0.00 H new ATOM 0 HD22 LEU A 112 14.279 -7.661 5.425 1.00 0.00 H new ATOM 0 HD23 LEU A 112 14.512 -8.901 6.680 1.00 0.00 H new ATOM 1712 N GLY A 113 16.758 -12.023 6.028 1.00 0.00 N ATOM 1713 CA GLY A 113 16.537 -12.811 7.201 1.00 0.00 C ATOM 1714 C GLY A 113 15.740 -14.052 6.994 1.00 0.00 C ATOM 1715 O GLY A 113 16.353 -15.117 7.051 1.00 0.00 O ATOM 0 H GLY A 113 16.218 -12.293 5.206 1.00 0.00 H new ATOM 0 HA2 GLY A 113 17.504 -13.086 7.621 1.00 0.00 H new ATOM 0 HA3 GLY A 113 16.031 -12.194 7.943 1.00 0.00 H new ATOM 1719 N GLU A 114 14.412 -13.983 6.792 1.00 0.00 N ATOM 1720 CA GLU A 114 13.514 -15.094 6.730 1.00 0.00 C ATOM 1721 C GLU A 114 13.646 -15.899 5.484 1.00 0.00 C ATOM 1722 O GLU A 114 13.654 -15.306 4.406 1.00 0.00 O ATOM 1723 CB GLU A 114 12.059 -14.620 6.888 1.00 0.00 C ATOM 1724 CG GLU A 114 11.794 -13.829 8.171 1.00 0.00 C ATOM 1725 CD GLU A 114 11.159 -14.768 9.186 1.00 0.00 C ATOM 1726 OE1 GLU A 114 11.897 -15.615 9.757 1.00 0.00 O ATOM 1727 OE2 GLU A 114 9.969 -14.624 9.574 1.00 0.00 O ATOM 0 H GLU A 114 13.935 -13.091 6.664 1.00 0.00 H new ATOM 0 HA GLU A 114 13.789 -15.747 7.558 1.00 0.00 H new ATOM 0 HB2 GLU A 114 11.795 -14.000 6.031 1.00 0.00 H new ATOM 0 HB3 GLU A 114 11.401 -15.489 6.867 1.00 0.00 H new ATOM 0 HG2 GLU A 114 12.724 -13.418 8.563 1.00 0.00 H new ATOM 0 HG3 GLU A 114 11.134 -12.986 7.968 1.00 0.00 H new ATOM 1734 N LYS A 115 13.641 -17.244 5.492 1.00 0.00 N ATOM 1735 CA LYS A 115 14.090 -17.914 4.311 1.00 0.00 C ATOM 1736 C LYS A 115 12.874 -18.488 3.668 1.00 0.00 C ATOM 1737 O LYS A 115 11.950 -19.062 4.242 1.00 0.00 O ATOM 1738 CB LYS A 115 14.964 -19.088 4.782 1.00 0.00 C ATOM 1739 CG LYS A 115 16.191 -18.557 5.525 1.00 0.00 C ATOM 1740 CD LYS A 115 16.849 -19.535 6.501 1.00 0.00 C ATOM 1741 CE LYS A 115 17.845 -18.912 7.481 1.00 0.00 C ATOM 1742 NZ LYS A 115 17.328 -17.841 8.362 1.00 0.00 N ATOM 0 H LYS A 115 13.345 -17.839 6.266 1.00 0.00 H new ATOM 0 HA LYS A 115 14.633 -17.256 3.633 1.00 0.00 H new ATOM 0 HB2 LYS A 115 14.387 -19.743 5.435 1.00 0.00 H new ATOM 0 HB3 LYS A 115 15.277 -19.686 3.926 1.00 0.00 H new ATOM 0 HG2 LYS A 115 16.935 -18.251 4.789 1.00 0.00 H new ATOM 0 HG3 LYS A 115 15.901 -17.662 6.076 1.00 0.00 H new ATOM 0 HD2 LYS A 115 16.066 -20.034 7.072 1.00 0.00 H new ATOM 0 HD3 LYS A 115 17.364 -20.305 5.926 1.00 0.00 H new ATOM 0 HE2 LYS A 115 18.246 -19.707 8.110 1.00 0.00 H new ATOM 0 HE3 LYS A 115 18.679 -18.508 6.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 18.063 -17.570 9.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 17.068 -17.014 7.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 16.490 -18.186 8.872 1.00 0.00 H new ATOM 1756 N LEU A 116 12.817 -18.231 2.349 1.00 0.00 N ATOM 1757 CA LEU A 116 11.730 -18.521 1.466 1.00 0.00 C ATOM 1758 C LEU A 116 12.397 -19.259 0.357 1.00 0.00 C ATOM 1759 O LEU A 116 13.383 -18.796 -0.213 1.00 0.00 O ATOM 1760 CB LEU A 116 11.042 -17.287 0.858 1.00 0.00 C ATOM 1761 CG LEU A 116 10.208 -16.391 1.789 1.00 0.00 C ATOM 1762 CD1 LEU A 116 9.710 -15.107 1.105 1.00 0.00 C ATOM 1763 CD2 LEU A 116 9.077 -17.204 2.442 1.00 0.00 C ATOM 0 H LEU A 116 13.594 -17.784 1.863 1.00 0.00 H new ATOM 0 HA LEU A 116 10.944 -19.048 2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 116 11.813 -16.667 0.401 1.00 0.00 H new ATOM 0 HB3 LEU A 116 10.391 -17.630 0.054 1.00 0.00 H new ATOM 0 HG LEU A 116 10.865 -16.040 2.585 1.00 0.00 H new ATOM 0 HD11 LEU A 116 9.128 -14.519 1.815 1.00 0.00 H new ATOM 0 HD12 LEU A 116 10.564 -14.522 0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 116 9.084 -15.369 0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 116 8.495 -16.556 3.098 1.00 0.00 H new ATOM 0 HD22 LEU A 116 8.428 -17.612 1.667 1.00 0.00 H new ATOM 0 HD23 LEU A 116 9.505 -18.020 3.024 1.00 0.00 H new ATOM 1775 N THR A 117 12.002 -20.517 0.090 1.00 0.00 N ATOM 1776 CA THR A 117 12.383 -21.352 -1.007 1.00 0.00 C ATOM 1777 C THR A 117 11.260 -21.322 -1.985 1.00 0.00 C ATOM 1778 O THR A 117 10.256 -20.668 -1.706 1.00 0.00 O ATOM 1779 CB THR A 117 12.624 -22.759 -0.546 1.00 0.00 C ATOM 1780 OG1 THR A 117 11.634 -23.162 0.388 1.00 0.00 O ATOM 1781 CG2 THR A 117 13.954 -22.843 0.221 1.00 0.00 C ATOM 0 H THR A 117 11.348 -20.996 0.709 1.00 0.00 H new ATOM 0 HA THR A 117 13.309 -20.992 -1.457 1.00 0.00 H new ATOM 0 HB THR A 117 12.617 -23.387 -1.437 1.00 0.00 H new ATOM 0 HG1 THR A 117 11.810 -24.083 0.674 1.00 0.00 H new ATOM 0 HG21 THR A 117 14.119 -23.869 0.551 1.00 0.00 H new ATOM 0 HG22 THR A 117 14.771 -22.536 -0.432 1.00 0.00 H new ATOM 0 HG23 THR A 117 13.916 -22.184 1.088 1.00 0.00 H new ATOM 1789 N ASP A 118 11.376 -21.995 -3.144 1.00 0.00 N ATOM 1790 CA ASP A 118 10.462 -21.854 -4.234 1.00 0.00 C ATOM 1791 C ASP A 118 9.066 -22.210 -3.855 1.00 0.00 C ATOM 1792 O ASP A 118 8.135 -21.472 -4.177 1.00 0.00 O ATOM 1793 CB ASP A 118 10.960 -22.752 -5.379 1.00 0.00 C ATOM 1794 CG ASP A 118 12.425 -22.497 -5.702 1.00 0.00 C ATOM 1795 OD1 ASP A 118 13.347 -22.955 -4.975 1.00 0.00 O ATOM 1796 OD2 ASP A 118 12.641 -21.793 -6.725 1.00 0.00 O ATOM 0 H ASP A 118 12.129 -22.658 -3.328 1.00 0.00 H new ATOM 0 HA ASP A 118 10.432 -20.809 -4.543 1.00 0.00 H new ATOM 0 HB2 ASP A 118 10.825 -23.798 -5.105 1.00 0.00 H new ATOM 0 HB3 ASP A 118 10.356 -22.575 -6.269 1.00 0.00 H new ATOM 1801 N GLU A 119 8.871 -23.272 -3.054 1.00 0.00 N ATOM 1802 CA GLU A 119 7.559 -23.649 -2.630 1.00 0.00 C ATOM 1803 C GLU A 119 6.979 -22.785 -1.563 1.00 0.00 C ATOM 1804 O GLU A 119 5.791 -22.482 -1.469 1.00 0.00 O ATOM 1805 CB GLU A 119 7.506 -25.086 -2.084 1.00 0.00 C ATOM 1806 CG GLU A 119 7.871 -26.097 -3.174 1.00 0.00 C ATOM 1807 CD GLU A 119 6.854 -26.454 -4.248 1.00 0.00 C ATOM 1808 OE1 GLU A 119 5.625 -26.373 -3.978 1.00 0.00 O ATOM 1809 OE2 GLU A 119 7.213 -26.931 -5.358 1.00 0.00 O ATOM 0 H GLU A 119 9.619 -23.868 -2.701 1.00 0.00 H new ATOM 0 HA GLU A 119 6.975 -23.542 -3.544 1.00 0.00 H new ATOM 0 HB2 GLU A 119 8.194 -25.186 -1.244 1.00 0.00 H new ATOM 0 HB3 GLU A 119 6.507 -25.299 -1.705 1.00 0.00 H new ATOM 0 HG2 GLU A 119 8.760 -25.722 -3.681 1.00 0.00 H new ATOM 0 HG3 GLU A 119 8.156 -27.024 -2.675 1.00 0.00 H new ATOM 1816 N GLU A 120 7.867 -22.107 -0.813 1.00 0.00 N ATOM 1817 CA GLU A 120 7.467 -21.009 0.011 1.00 0.00 C ATOM 1818 C GLU A 120 7.121 -19.765 -0.732 1.00 0.00 C ATOM 1819 O GLU A 120 6.197 -19.045 -0.358 1.00 0.00 O ATOM 1820 CB GLU A 120 8.455 -20.622 1.125 1.00 0.00 C ATOM 1821 CG GLU A 120 8.799 -21.751 2.098 1.00 0.00 C ATOM 1822 CD GLU A 120 7.581 -22.340 2.795 1.00 0.00 C ATOM 1823 OE1 GLU A 120 6.676 -21.587 3.244 1.00 0.00 O ATOM 1824 OE2 GLU A 120 7.554 -23.595 2.909 1.00 0.00 O ATOM 0 H GLU A 120 8.864 -22.320 -0.778 1.00 0.00 H new ATOM 0 HA GLU A 120 6.569 -21.424 0.468 1.00 0.00 H new ATOM 0 HB2 GLU A 120 9.376 -20.264 0.666 1.00 0.00 H new ATOM 0 HB3 GLU A 120 8.036 -19.789 1.690 1.00 0.00 H new ATOM 0 HG2 GLU A 120 9.317 -22.543 1.556 1.00 0.00 H new ATOM 0 HG3 GLU A 120 9.492 -21.374 2.850 1.00 0.00 H new ATOM 1831 N VAL A 121 7.822 -19.396 -1.819 1.00 0.00 N ATOM 1832 CA VAL A 121 7.500 -18.350 -2.740 1.00 0.00 C ATOM 1833 C VAL A 121 6.237 -18.580 -3.496 1.00 0.00 C ATOM 1834 O VAL A 121 5.447 -17.640 -3.428 1.00 0.00 O ATOM 1835 CB VAL A 121 8.668 -18.196 -3.668 1.00 0.00 C ATOM 1836 CG1 VAL A 121 8.250 -17.274 -4.826 1.00 0.00 C ATOM 1837 CG2 VAL A 121 9.859 -17.501 -2.986 1.00 0.00 C ATOM 0 H VAL A 121 8.688 -19.871 -2.074 1.00 0.00 H new ATOM 0 HA VAL A 121 7.317 -17.435 -2.176 1.00 0.00 H new ATOM 0 HB VAL A 121 8.959 -19.195 -3.994 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.087 -17.150 -5.513 1.00 0.00 H new ATOM 0 HG12 VAL A 121 7.408 -17.717 -5.358 1.00 0.00 H new ATOM 0 HG13 VAL A 121 7.958 -16.301 -4.430 1.00 0.00 H new ATOM 0 HG21 VAL A 121 10.682 -17.411 -3.695 1.00 0.00 H new ATOM 0 HG22 VAL A 121 9.558 -16.508 -2.651 1.00 0.00 H new ATOM 0 HG23 VAL A 121 10.182 -18.091 -2.128 1.00 0.00 H new ATOM 1847 N ASP A 122 6.018 -19.775 -4.072 1.00 0.00 N ATOM 1848 CA ASP A 122 4.819 -20.139 -4.763 1.00 0.00 C ATOM 1849 C ASP A 122 3.577 -20.051 -3.945 1.00 0.00 C ATOM 1850 O ASP A 122 2.580 -19.507 -4.417 1.00 0.00 O ATOM 1851 CB ASP A 122 4.947 -21.523 -5.422 1.00 0.00 C ATOM 1852 CG ASP A 122 5.787 -21.447 -6.689 1.00 0.00 C ATOM 1853 OD1 ASP A 122 5.311 -20.807 -7.664 1.00 0.00 O ATOM 1854 OD2 ASP A 122 6.818 -22.167 -6.772 1.00 0.00 O ATOM 0 H ASP A 122 6.710 -20.524 -4.055 1.00 0.00 H new ATOM 0 HA ASP A 122 4.706 -19.384 -5.541 1.00 0.00 H new ATOM 0 HB2 ASP A 122 5.402 -22.223 -4.721 1.00 0.00 H new ATOM 0 HB3 ASP A 122 3.956 -21.909 -5.661 1.00 0.00 H new ATOM 1859 N GLU A 123 3.674 -20.480 -2.674 1.00 0.00 N ATOM 1860 CA GLU A 123 2.686 -20.269 -1.663 1.00 0.00 C ATOM 1861 C GLU A 123 2.484 -18.836 -1.309 1.00 0.00 C ATOM 1862 O GLU A 123 1.323 -18.550 -1.021 1.00 0.00 O ATOM 1863 CB GLU A 123 2.968 -21.165 -0.445 1.00 0.00 C ATOM 1864 CG GLU A 123 1.789 -21.363 0.510 1.00 0.00 C ATOM 1865 CD GLU A 123 2.056 -22.363 1.626 1.00 0.00 C ATOM 1866 OE1 GLU A 123 1.826 -23.592 1.473 1.00 0.00 O ATOM 1867 OE2 GLU A 123 2.467 -21.929 2.736 1.00 0.00 O ATOM 0 H GLU A 123 4.483 -21.000 -2.335 1.00 0.00 H new ATOM 0 HA GLU A 123 1.726 -20.570 -2.082 1.00 0.00 H new ATOM 0 HB2 GLU A 123 3.293 -22.142 -0.802 1.00 0.00 H new ATOM 0 HB3 GLU A 123 3.800 -20.737 0.115 1.00 0.00 H new ATOM 0 HG2 GLU A 123 1.528 -20.402 0.953 1.00 0.00 H new ATOM 0 HG3 GLU A 123 0.923 -21.696 -0.062 1.00 0.00 H new ATOM 1874 N MET A 124 3.471 -17.925 -1.378 1.00 0.00 N ATOM 1875 CA MET A 124 3.327 -16.534 -1.079 1.00 0.00 C ATOM 1876 C MET A 124 2.728 -15.739 -2.188 1.00 0.00 C ATOM 1877 O MET A 124 1.853 -14.910 -1.945 1.00 0.00 O ATOM 1878 CB MET A 124 4.720 -16.087 -0.604 1.00 0.00 C ATOM 1879 CG MET A 124 4.692 -14.605 -0.224 1.00 0.00 C ATOM 1880 SD MET A 124 6.293 -13.892 0.260 1.00 0.00 S ATOM 1881 CE MET A 124 6.202 -14.558 1.947 1.00 0.00 C ATOM 0 H MET A 124 4.420 -18.173 -1.657 1.00 0.00 H new ATOM 0 HA MET A 124 2.592 -16.353 -0.295 1.00 0.00 H new ATOM 0 HB2 MET A 124 5.030 -16.685 0.253 1.00 0.00 H new ATOM 0 HB3 MET A 124 5.454 -16.255 -1.393 1.00 0.00 H new ATOM 0 HG2 MET A 124 4.302 -14.038 -1.069 1.00 0.00 H new ATOM 0 HG3 MET A 124 3.991 -14.472 0.600 1.00 0.00 H new ATOM 0 HE1 MET A 124 6.939 -14.058 2.576 1.00 0.00 H new ATOM 0 HE2 MET A 124 5.204 -14.388 2.352 1.00 0.00 H new ATOM 0 HE3 MET A 124 6.408 -15.628 1.927 1.00 0.00 H new ATOM 1891 N ILE A 125 3.163 -16.042 -3.424 1.00 0.00 N ATOM 1892 CA ILE A 125 2.596 -15.648 -4.676 1.00 0.00 C ATOM 1893 C ILE A 125 1.162 -16.014 -4.848 1.00 0.00 C ATOM 1894 O ILE A 125 0.331 -15.286 -5.391 1.00 0.00 O ATOM 1895 CB ILE A 125 3.405 -16.286 -5.766 1.00 0.00 C ATOM 1896 CG1 ILE A 125 4.689 -15.457 -5.940 1.00 0.00 C ATOM 1897 CG2 ILE A 125 2.597 -16.657 -7.020 1.00 0.00 C ATOM 1898 CD1 ILE A 125 5.631 -16.057 -6.982 1.00 0.00 C ATOM 0 H ILE A 125 3.993 -16.620 -3.557 1.00 0.00 H new ATOM 0 HA ILE A 125 2.626 -14.559 -4.715 1.00 0.00 H new ATOM 0 HB ILE A 125 3.725 -17.290 -5.485 1.00 0.00 H new ATOM 0 HG12 ILE A 125 4.426 -14.441 -6.234 1.00 0.00 H new ATOM 0 HG13 ILE A 125 5.206 -15.388 -4.983 1.00 0.00 H new ATOM 0 HG21 ILE A 125 3.258 -17.112 -7.757 1.00 0.00 H new ATOM 0 HG22 ILE A 125 1.812 -17.364 -6.751 1.00 0.00 H new ATOM 0 HG23 ILE A 125 2.147 -15.758 -7.442 1.00 0.00 H new ATOM 0 HD11 ILE A 125 6.522 -15.435 -7.068 1.00 0.00 H new ATOM 0 HD12 ILE A 125 5.918 -17.063 -6.676 1.00 0.00 H new ATOM 0 HD13 ILE A 125 5.126 -16.102 -7.947 1.00 0.00 H new ATOM 1910 N ARG A 126 0.780 -17.211 -4.369 1.00 0.00 N ATOM 1911 CA ARG A 126 -0.546 -17.744 -4.414 1.00 0.00 C ATOM 1912 C ARG A 126 -1.602 -16.762 -4.039 1.00 0.00 C ATOM 1913 O ARG A 126 -2.428 -16.349 -4.851 1.00 0.00 O ATOM 1914 CB ARG A 126 -0.701 -19.070 -3.649 1.00 0.00 C ATOM 1915 CG ARG A 126 -2.049 -19.760 -3.869 1.00 0.00 C ATOM 1916 CD ARG A 126 -2.210 -21.052 -3.066 1.00 0.00 C ATOM 1917 NE ARG A 126 -2.814 -20.611 -1.778 1.00 0.00 N ATOM 1918 CZ ARG A 126 -3.009 -21.361 -0.654 1.00 0.00 C ATOM 1919 NH1 ARG A 126 -2.299 -22.501 -0.410 1.00 0.00 N ATOM 1920 NH2 ARG A 126 -3.829 -20.928 0.348 1.00 0.00 N ATOM 0 H ARG A 126 1.440 -17.847 -3.922 1.00 0.00 H new ATOM 0 HA ARG A 126 -0.705 -17.974 -5.468 1.00 0.00 H new ATOM 0 HB2 ARG A 126 0.097 -19.748 -3.952 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -0.571 -18.881 -2.584 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -2.849 -19.071 -3.599 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -2.165 -19.984 -4.929 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -2.852 -21.765 -3.583 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -1.250 -21.544 -2.908 1.00 0.00 H new ATOM 0 HE ARG A 126 -3.116 -19.638 -1.730 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -1.596 -22.817 -1.078 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -2.471 -23.037 0.441 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -4.307 -20.031 0.264 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -3.963 -21.501 1.181 1.00 0.00 H new ATOM 1934 N GLU A 127 -1.416 -16.149 -2.856 1.00 0.00 N ATOM 1935 CA GLU A 127 -2.241 -15.160 -2.234 1.00 0.00 C ATOM 1936 C GLU A 127 -1.896 -13.773 -2.655 1.00 0.00 C ATOM 1937 O GLU A 127 -2.764 -12.926 -2.861 1.00 0.00 O ATOM 1938 CB GLU A 127 -2.364 -15.324 -0.709 1.00 0.00 C ATOM 1939 CG GLU A 127 -2.830 -16.733 -0.337 1.00 0.00 C ATOM 1940 CD GLU A 127 -4.228 -17.034 -0.857 1.00 0.00 C ATOM 1941 OE1 GLU A 127 -5.123 -16.154 -0.745 1.00 0.00 O ATOM 1942 OE2 GLU A 127 -4.405 -18.214 -1.263 1.00 0.00 O ATOM 0 H GLU A 127 -0.605 -16.371 -2.279 1.00 0.00 H new ATOM 0 HA GLU A 127 -3.247 -15.343 -2.612 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -1.401 -15.122 -0.241 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -3.069 -14.590 -0.318 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -2.129 -17.464 -0.741 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -2.816 -16.844 0.747 1.00 0.00 H new ATOM 1949 N ALA A 128 -0.611 -13.406 -2.809 1.00 0.00 N ATOM 1950 CA ALA A 128 -0.311 -12.023 -3.011 1.00 0.00 C ATOM 1951 C ALA A 128 -0.486 -11.614 -4.433 1.00 0.00 C ATOM 1952 O ALA A 128 -0.872 -10.473 -4.680 1.00 0.00 O ATOM 1953 CB ALA A 128 1.155 -11.879 -2.566 1.00 0.00 C ATOM 0 H ALA A 128 0.190 -14.037 -2.795 1.00 0.00 H new ATOM 0 HA ALA A 128 -0.984 -11.378 -2.447 1.00 0.00 H new ATOM 0 HB1 ALA A 128 1.472 -10.843 -2.687 1.00 0.00 H new ATOM 0 HB2 ALA A 128 1.247 -12.166 -1.519 1.00 0.00 H new ATOM 0 HB3 ALA A 128 1.786 -12.525 -3.176 1.00 0.00 H new ATOM 1959 N ASP A 129 -0.117 -12.402 -5.459 1.00 0.00 N ATOM 1960 CA ASP A 129 0.093 -12.021 -6.821 1.00 0.00 C ATOM 1961 C ASP A 129 -1.284 -12.082 -7.386 1.00 0.00 C ATOM 1962 O ASP A 129 -1.764 -13.077 -7.927 1.00 0.00 O ATOM 1963 CB ASP A 129 1.138 -12.862 -7.574 1.00 0.00 C ATOM 1964 CG ASP A 129 1.353 -12.432 -9.018 1.00 0.00 C ATOM 1965 OD1 ASP A 129 0.946 -11.295 -9.377 1.00 0.00 O ATOM 1966 OD2 ASP A 129 2.057 -13.127 -9.799 1.00 0.00 O ATOM 0 H ASP A 129 0.049 -13.399 -5.319 1.00 0.00 H new ATOM 0 HA ASP A 129 0.546 -11.034 -6.918 1.00 0.00 H new ATOM 0 HB2 ASP A 129 2.088 -12.804 -7.043 1.00 0.00 H new ATOM 0 HB3 ASP A 129 0.828 -13.907 -7.559 1.00 0.00 H new ATOM 1971 N ILE A 130 -1.951 -10.918 -7.476 1.00 0.00 N ATOM 1972 CA ILE A 130 -3.196 -10.714 -8.150 1.00 0.00 C ATOM 1973 C ILE A 130 -3.213 -11.108 -9.587 1.00 0.00 C ATOM 1974 O ILE A 130 -4.118 -11.724 -10.147 1.00 0.00 O ATOM 1975 CB ILE A 130 -3.580 -9.289 -7.886 1.00 0.00 C ATOM 1976 CG1 ILE A 130 -4.409 -9.289 -6.591 1.00 0.00 C ATOM 1977 CG2 ILE A 130 -4.265 -8.510 -9.022 1.00 0.00 C ATOM 1978 CD1 ILE A 130 -4.359 -7.961 -5.837 1.00 0.00 C ATOM 0 H ILE A 130 -1.596 -10.062 -7.049 1.00 0.00 H new ATOM 0 HA ILE A 130 -3.950 -11.394 -7.753 1.00 0.00 H new ATOM 0 HB ILE A 130 -2.653 -8.724 -7.794 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -5.446 -9.522 -6.833 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -4.048 -10.083 -5.937 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -4.484 -7.496 -8.687 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -3.603 -8.472 -9.887 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -5.194 -9.010 -9.297 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -4.966 -8.032 -4.934 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -3.328 -7.736 -5.565 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -4.748 -7.166 -6.474 1.00 0.00 H new ATOM 1990 N ASP A 131 -2.108 -10.722 -10.250 1.00 0.00 N ATOM 1991 CA ASP A 131 -1.996 -10.791 -11.674 1.00 0.00 C ATOM 1992 C ASP A 131 -1.666 -12.130 -12.237 1.00 0.00 C ATOM 1993 O ASP A 131 -2.088 -12.509 -13.329 1.00 0.00 O ATOM 1994 CB ASP A 131 -0.847 -9.855 -12.086 1.00 0.00 C ATOM 1995 CG ASP A 131 -0.956 -8.437 -11.542 1.00 0.00 C ATOM 1996 OD1 ASP A 131 -1.600 -7.533 -12.137 1.00 0.00 O ATOM 1997 OD2 ASP A 131 -0.286 -8.271 -10.488 1.00 0.00 O ATOM 0 H ASP A 131 -1.276 -10.355 -9.788 1.00 0.00 H new ATOM 0 HA ASP A 131 -2.979 -10.523 -12.061 1.00 0.00 H new ATOM 0 HB2 ASP A 131 0.095 -10.288 -11.749 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -0.805 -9.810 -13.174 1.00 0.00 H new ATOM 2002 N GLY A 132 -0.831 -12.915 -11.533 1.00 0.00 N ATOM 2003 CA GLY A 132 -0.134 -14.002 -12.147 1.00 0.00 C ATOM 2004 C GLY A 132 1.056 -13.624 -12.961 1.00 0.00 C ATOM 2005 O GLY A 132 1.490 -14.370 -13.838 1.00 0.00 O ATOM 0 H GLY A 132 -0.639 -12.797 -10.538 1.00 0.00 H new ATOM 0 HA2 GLY A 132 0.186 -14.692 -11.367 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -0.832 -14.544 -12.785 1.00 0.00 H new ATOM 2009 N ASP A 133 1.578 -12.407 -12.728 1.00 0.00 N ATOM 2010 CA ASP A 133 2.638 -11.916 -13.553 1.00 0.00 C ATOM 2011 C ASP A 133 4.029 -12.264 -13.147 1.00 0.00 C ATOM 2012 O ASP A 133 5.045 -12.218 -13.838 1.00 0.00 O ATOM 2013 CB ASP A 133 2.514 -10.397 -13.756 1.00 0.00 C ATOM 2014 CG ASP A 133 2.975 -9.570 -12.565 1.00 0.00 C ATOM 2015 OD1 ASP A 133 2.275 -9.535 -11.518 1.00 0.00 O ATOM 2016 OD2 ASP A 133 3.882 -8.709 -12.717 1.00 0.00 O ATOM 0 H ASP A 133 1.276 -11.775 -11.987 1.00 0.00 H new ATOM 0 HA ASP A 133 2.492 -12.453 -14.490 1.00 0.00 H new ATOM 0 HB2 ASP A 133 3.097 -10.110 -14.631 1.00 0.00 H new ATOM 0 HB3 ASP A 133 1.474 -10.154 -13.972 1.00 0.00 H new ATOM 2021 N GLY A 134 4.071 -12.700 -11.876 1.00 0.00 N ATOM 2022 CA GLY A 134 5.262 -13.252 -11.307 1.00 0.00 C ATOM 2023 C GLY A 134 5.998 -12.247 -10.490 1.00 0.00 C ATOM 2024 O GLY A 134 6.860 -12.670 -9.722 1.00 0.00 O ATOM 0 H GLY A 134 3.275 -12.670 -11.238 1.00 0.00 H new ATOM 0 HA2 GLY A 134 5.005 -14.109 -10.685 1.00 0.00 H new ATOM 0 HA3 GLY A 134 5.910 -13.619 -12.103 1.00 0.00 H new ATOM 2028 N GLN A 135 5.730 -10.929 -10.498 1.00 0.00 N ATOM 2029 CA GLN A 135 6.260 -9.879 -9.684 1.00 0.00 C ATOM 2030 C GLN A 135 5.277 -9.621 -8.595 1.00 0.00 C ATOM 2031 O GLN A 135 4.069 -9.699 -8.813 1.00 0.00 O ATOM 2032 CB GLN A 135 6.513 -8.546 -10.408 1.00 0.00 C ATOM 2033 CG GLN A 135 7.115 -8.753 -11.800 1.00 0.00 C ATOM 2034 CD GLN A 135 8.103 -7.657 -12.173 1.00 0.00 C ATOM 2035 OE1 GLN A 135 9.174 -7.526 -11.583 1.00 0.00 O ATOM 2036 NE2 GLN A 135 7.710 -6.978 -13.284 1.00 0.00 N ATOM 0 H GLN A 135 5.053 -10.556 -11.164 1.00 0.00 H new ATOM 0 HA GLN A 135 7.234 -10.223 -9.337 1.00 0.00 H new ATOM 0 HB2 GLN A 135 5.575 -7.998 -10.497 1.00 0.00 H new ATOM 0 HB3 GLN A 135 7.186 -7.931 -9.810 1.00 0.00 H new ATOM 0 HG2 GLN A 135 7.618 -9.719 -11.835 1.00 0.00 H new ATOM 0 HG3 GLN A 135 6.314 -8.783 -12.539 1.00 0.00 H new ATOM 0 HE21 GLN A 135 6.796 -7.163 -13.698 1.00 0.00 H new ATOM 0 HE22 GLN A 135 8.329 -6.284 -13.703 1.00 0.00 H new ATOM 2045 N VAL A 136 5.792 -9.071 -7.480 1.00 0.00 N ATOM 2046 CA VAL A 136 5.043 -8.576 -6.368 1.00 0.00 C ATOM 2047 C VAL A 136 5.251 -7.101 -6.354 1.00 0.00 C ATOM 2048 O VAL A 136 6.346 -6.559 -6.501 1.00 0.00 O ATOM 2049 CB VAL A 136 5.430 -9.264 -5.092 1.00 0.00 C ATOM 2050 CG1 VAL A 136 5.327 -8.312 -3.888 1.00 0.00 C ATOM 2051 CG2 VAL A 136 4.493 -10.482 -5.024 1.00 0.00 C ATOM 0 H VAL A 136 6.798 -8.966 -7.348 1.00 0.00 H new ATOM 0 HA VAL A 136 3.978 -8.790 -6.462 1.00 0.00 H new ATOM 0 HB VAL A 136 6.472 -9.583 -5.066 1.00 0.00 H new ATOM 0 HG11 VAL A 136 5.614 -8.842 -2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 136 5.993 -7.462 -4.038 1.00 0.00 H new ATOM 0 HG13 VAL A 136 4.301 -7.957 -3.792 1.00 0.00 H new ATOM 0 HG21 VAL A 136 4.702 -11.052 -4.118 1.00 0.00 H new ATOM 0 HG22 VAL A 136 3.457 -10.144 -5.009 1.00 0.00 H new ATOM 0 HG23 VAL A 136 4.655 -11.115 -5.896 1.00 0.00 H new ATOM 2061 N ASN A 137 4.133 -6.358 -6.436 1.00 0.00 N ATOM 2062 CA ASN A 137 4.030 -4.933 -6.492 1.00 0.00 C ATOM 2063 C ASN A 137 3.741 -4.411 -5.127 1.00 0.00 C ATOM 2064 O ASN A 137 3.451 -5.251 -4.277 1.00 0.00 O ATOM 2065 CB ASN A 137 3.176 -4.220 -7.554 1.00 0.00 C ATOM 2066 CG ASN A 137 1.660 -4.257 -7.419 1.00 0.00 C ATOM 2067 OD1 ASN A 137 1.045 -3.930 -6.406 1.00 0.00 O ATOM 2068 ND2 ASN A 137 0.964 -4.674 -8.510 1.00 0.00 N ATOM 0 H ASN A 137 3.214 -6.800 -6.466 1.00 0.00 H new ATOM 0 HA ASN A 137 5.014 -4.667 -6.877 1.00 0.00 H new ATOM 0 HB2 ASN A 137 3.480 -3.174 -7.575 1.00 0.00 H new ATOM 0 HB3 ASN A 137 3.432 -4.646 -8.524 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -0.055 -4.712 -8.481 1.00 0.00 H new ATOM 0 HD22 ASN A 137 1.461 -4.948 -9.358 1.00 0.00 H new ATOM 2075 N TYR A 138 3.798 -3.082 -4.929 1.00 0.00 N ATOM 2076 CA TYR A 138 3.670 -2.509 -3.625 1.00 0.00 C ATOM 2077 C TYR A 138 2.393 -2.778 -2.907 1.00 0.00 C ATOM 2078 O TYR A 138 2.322 -2.950 -1.691 1.00 0.00 O ATOM 2079 CB TYR A 138 3.873 -0.985 -3.664 1.00 0.00 C ATOM 2080 CG TYR A 138 3.732 -0.302 -2.347 1.00 0.00 C ATOM 2081 CD1 TYR A 138 4.641 -0.526 -1.340 1.00 0.00 C ATOM 2082 CD2 TYR A 138 2.507 0.259 -2.074 1.00 0.00 C ATOM 2083 CE1 TYR A 138 4.383 -0.103 -0.057 1.00 0.00 C ATOM 2084 CE2 TYR A 138 2.319 0.745 -0.801 1.00 0.00 C ATOM 2085 CZ TYR A 138 3.209 0.554 0.229 1.00 0.00 C ATOM 2086 OH TYR A 138 2.844 1.064 1.493 1.00 0.00 O ATOM 0 H TYR A 138 3.933 -2.401 -5.676 1.00 0.00 H new ATOM 0 HA TYR A 138 4.455 -3.015 -3.063 1.00 0.00 H new ATOM 0 HB2 TYR A 138 4.866 -0.775 -4.062 1.00 0.00 H new ATOM 0 HB3 TYR A 138 3.153 -0.554 -4.360 1.00 0.00 H new ATOM 0 HD1 TYR A 138 5.566 -1.039 -1.559 1.00 0.00 H new ATOM 0 HD2 TYR A 138 1.730 0.315 -2.822 1.00 0.00 H new ATOM 0 HE1 TYR A 138 5.103 -0.287 0.727 1.00 0.00 H new ATOM 0 HE2 TYR A 138 1.420 1.309 -0.599 1.00 0.00 H new ATOM 0 HH TYR A 138 1.962 1.487 1.433 1.00 0.00 H new ATOM 2096 N GLU A 139 1.248 -2.848 -3.609 1.00 0.00 N ATOM 2097 CA GLU A 139 -0.030 -3.046 -3.000 1.00 0.00 C ATOM 2098 C GLU A 139 -0.256 -4.480 -2.661 1.00 0.00 C ATOM 2099 O GLU A 139 -0.852 -4.740 -1.617 1.00 0.00 O ATOM 2100 CB GLU A 139 -1.298 -2.622 -3.761 1.00 0.00 C ATOM 2101 CG GLU A 139 -1.424 -1.115 -3.989 1.00 0.00 C ATOM 2102 CD GLU A 139 -2.677 -0.740 -4.767 1.00 0.00 C ATOM 2103 OE1 GLU A 139 -2.667 -1.058 -5.987 1.00 0.00 O ATOM 2104 OE2 GLU A 139 -3.638 -0.110 -4.250 1.00 0.00 O ATOM 0 H GLU A 139 1.210 -2.765 -4.625 1.00 0.00 H new ATOM 0 HA GLU A 139 0.070 -2.373 -2.148 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -1.312 -3.126 -4.727 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -2.171 -2.968 -3.208 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -1.434 -0.606 -3.025 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -0.546 -0.759 -4.529 1.00 0.00 H new ATOM 2111 N GLU A 140 0.354 -5.407 -3.421 1.00 0.00 N ATOM 2112 CA GLU A 140 0.294 -6.802 -3.112 1.00 0.00 C ATOM 2113 C GLU A 140 1.255 -7.249 -2.065 1.00 0.00 C ATOM 2114 O GLU A 140 0.946 -8.209 -1.360 1.00 0.00 O ATOM 2115 CB GLU A 140 0.751 -7.547 -4.378 1.00 0.00 C ATOM 2116 CG GLU A 140 0.013 -7.161 -5.661 1.00 0.00 C ATOM 2117 CD GLU A 140 0.680 -7.837 -6.851 1.00 0.00 C ATOM 2118 OE1 GLU A 140 1.921 -7.787 -7.061 1.00 0.00 O ATOM 2119 OE2 GLU A 140 -0.017 -8.465 -7.692 1.00 0.00 O ATOM 0 H GLU A 140 0.894 -5.187 -4.258 1.00 0.00 H new ATOM 0 HA GLU A 140 -0.720 -6.999 -2.765 1.00 0.00 H new ATOM 0 HB2 GLU A 140 1.816 -7.367 -4.522 1.00 0.00 H new ATOM 0 HB3 GLU A 140 0.628 -8.618 -4.215 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -1.033 -7.462 -5.597 1.00 0.00 H new ATOM 0 HG3 GLU A 140 0.026 -6.079 -5.789 1.00 0.00 H new ATOM 2126 N PHE A 141 2.276 -6.400 -1.851 1.00 0.00 N ATOM 2127 CA PHE A 141 3.216 -6.519 -0.780 1.00 0.00 C ATOM 2128 C PHE A 141 2.721 -6.143 0.574 1.00 0.00 C ATOM 2129 O PHE A 141 2.716 -6.946 1.506 1.00 0.00 O ATOM 2130 CB PHE A 141 4.562 -5.844 -1.094 1.00 0.00 C ATOM 2131 CG PHE A 141 5.613 -6.176 -0.091 1.00 0.00 C ATOM 2132 CD1 PHE A 141 6.132 -7.449 -0.081 1.00 0.00 C ATOM 2133 CD2 PHE A 141 6.303 -5.244 0.648 1.00 0.00 C ATOM 2134 CE1 PHE A 141 7.255 -7.747 0.654 1.00 0.00 C ATOM 2135 CE2 PHE A 141 7.372 -5.530 1.465 1.00 0.00 C ATOM 2136 CZ PHE A 141 7.927 -6.785 1.370 1.00 0.00 C ATOM 0 H PHE A 141 2.454 -5.595 -2.451 1.00 0.00 H new ATOM 0 HA PHE A 141 3.375 -7.596 -0.718 1.00 0.00 H new ATOM 0 HB2 PHE A 141 4.898 -6.153 -2.084 1.00 0.00 H new ATOM 0 HB3 PHE A 141 4.424 -4.763 -1.127 1.00 0.00 H new ATOM 0 HD1 PHE A 141 5.651 -8.225 -0.658 1.00 0.00 H new ATOM 0 HD2 PHE A 141 5.983 -4.215 0.582 1.00 0.00 H new ATOM 0 HE1 PHE A 141 7.619 -8.764 0.669 1.00 0.00 H new ATOM 0 HE2 PHE A 141 7.761 -4.796 2.155 1.00 0.00 H new ATOM 0 HZ PHE A 141 8.869 -7.010 1.847 1.00 0.00 H new ATOM 2146 N VAL A 142 2.067 -4.969 0.589 1.00 0.00 N ATOM 2147 CA VAL A 142 1.278 -4.467 1.672 1.00 0.00 C ATOM 2148 C VAL A 142 0.249 -5.390 2.226 1.00 0.00 C ATOM 2149 O VAL A 142 0.374 -5.701 3.410 1.00 0.00 O ATOM 2150 CB VAL A 142 0.686 -3.125 1.356 1.00 0.00 C ATOM 2151 CG1 VAL A 142 -0.158 -2.703 2.570 1.00 0.00 C ATOM 2152 CG2 VAL A 142 1.840 -2.110 1.294 1.00 0.00 C ATOM 0 H VAL A 142 2.091 -4.330 -0.205 1.00 0.00 H new ATOM 0 HA VAL A 142 2.003 -4.364 2.480 1.00 0.00 H new ATOM 0 HB VAL A 142 0.111 -3.164 0.431 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -0.607 -1.728 2.380 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -0.944 -3.438 2.740 1.00 0.00 H new ATOM 0 HG13 VAL A 142 0.479 -2.643 3.453 1.00 0.00 H new ATOM 0 HG21 VAL A 142 1.443 -1.121 1.065 1.00 0.00 H new ATOM 0 HG22 VAL A 142 2.352 -2.082 2.256 1.00 0.00 H new ATOM 0 HG23 VAL A 142 2.544 -2.407 0.517 1.00 0.00 H new ATOM 2162 N GLN A 143 -0.702 -5.947 1.455 1.00 0.00 N ATOM 2163 CA GLN A 143 -1.718 -6.843 1.915 1.00 0.00 C ATOM 2164 C GLN A 143 -1.189 -8.066 2.581 1.00 0.00 C ATOM 2165 O GLN A 143 -1.660 -8.491 3.635 1.00 0.00 O ATOM 2166 CB GLN A 143 -2.602 -7.389 0.781 1.00 0.00 C ATOM 2167 CG GLN A 143 -3.401 -6.234 0.174 1.00 0.00 C ATOM 2168 CD GLN A 143 -3.841 -6.592 -1.238 1.00 0.00 C ATOM 2169 OE1 GLN A 143 -3.545 -5.839 -2.164 1.00 0.00 O ATOM 2170 NE2 GLN A 143 -4.576 -7.719 -1.436 1.00 0.00 N ATOM 0 H GLN A 143 -0.765 -5.761 0.454 1.00 0.00 H new ATOM 0 HA GLN A 143 -2.276 -6.217 2.611 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -1.985 -7.863 0.017 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -3.277 -8.154 1.165 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -4.273 -6.019 0.792 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -2.793 -5.330 0.156 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -4.805 -8.324 -0.647 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -4.898 -7.960 -2.373 1.00 0.00 H new ATOM 2179 N MET A 144 -0.080 -8.585 2.024 1.00 0.00 N ATOM 2180 CA MET A 144 0.651 -9.709 2.520 1.00 0.00 C ATOM 2181 C MET A 144 1.277 -9.516 3.858 1.00 0.00 C ATOM 2182 O MET A 144 1.249 -10.286 4.817 1.00 0.00 O ATOM 2183 CB MET A 144 1.547 -10.128 1.343 1.00 0.00 C ATOM 2184 CG MET A 144 2.250 -11.484 1.434 1.00 0.00 C ATOM 2185 SD MET A 144 3.654 -11.580 2.584 1.00 0.00 S ATOM 2186 CE MET A 144 4.821 -10.686 1.516 1.00 0.00 C ATOM 0 H MET A 144 0.330 -8.195 1.175 1.00 0.00 H new ATOM 0 HA MET A 144 0.011 -10.546 2.799 1.00 0.00 H new ATOM 0 HB2 MET A 144 0.937 -10.126 0.440 1.00 0.00 H new ATOM 0 HB3 MET A 144 2.311 -9.362 1.213 1.00 0.00 H new ATOM 0 HG2 MET A 144 1.514 -12.233 1.727 1.00 0.00 H new ATOM 0 HG3 MET A 144 2.602 -11.756 0.439 1.00 0.00 H new ATOM 0 HE1 MET A 144 5.837 -10.838 1.880 1.00 0.00 H new ATOM 0 HE2 MET A 144 4.741 -11.061 0.496 1.00 0.00 H new ATOM 0 HE3 MET A 144 4.586 -9.622 1.531 1.00 0.00 H new ATOM 2196 N MET A 145 1.804 -8.290 4.029 1.00 0.00 N ATOM 2197 CA MET A 145 2.461 -7.800 5.200 1.00 0.00 C ATOM 2198 C MET A 145 1.466 -7.735 6.308 1.00 0.00 C ATOM 2199 O MET A 145 1.614 -8.211 7.432 1.00 0.00 O ATOM 2200 CB MET A 145 3.264 -6.513 4.947 1.00 0.00 C ATOM 2201 CG MET A 145 4.517 -6.798 4.117 1.00 0.00 C ATOM 2202 SD MET A 145 5.784 -7.667 5.089 1.00 0.00 S ATOM 2203 CE MET A 145 6.727 -6.191 5.571 1.00 0.00 C ATOM 0 H MET A 145 1.767 -7.588 3.290 1.00 0.00 H new ATOM 0 HA MET A 145 3.242 -8.494 5.510 1.00 0.00 H new ATOM 0 HB2 MET A 145 2.638 -5.787 4.428 1.00 0.00 H new ATOM 0 HB3 MET A 145 3.549 -6.066 5.899 1.00 0.00 H new ATOM 0 HG2 MET A 145 4.249 -7.399 3.248 1.00 0.00 H new ATOM 0 HG3 MET A 145 4.926 -5.860 3.742 1.00 0.00 H new ATOM 0 HE1 MET A 145 7.575 -6.487 6.189 1.00 0.00 H new ATOM 0 HE2 MET A 145 7.089 -5.683 4.677 1.00 0.00 H new ATOM 0 HE3 MET A 145 6.084 -5.517 6.136 1.00 0.00 H new