USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=23 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 109 MET CE :methyl 172:sc= -0.706 (180deg=-0.821) USER MOD Set 1.2: A 145 MET CE :methyl -173:sc= -0.0883 (180deg=-0.198) USER MOD Set 2.1: A 107 HIS : no HD1:sc= -0.581 X(o=-1.2,f=-1.3) USER MOD Set 2.2: A 111 ASN : amide:sc= -0.647 X(o=-1.2,f=-1.5!) USER MOD Set 3.1: A 36 MET CE :methyl 163:sc=-0.00793 (180deg=-0.0577) USER MOD Set 3.2: A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 26 THR OG1 : rot -56:sc= 0.381 USER MOD Set 4.2: A 60 ASN : amide:sc= 0.0253 K(o=0.41,f=-3.5!) USER MOD Set 4.3: A 62 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 5 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 8 GLN : amide:sc= -0.0155 X(o=-0.015,f=-0.058) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -65:sc= 0.855 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0313 USER MOD Single : A 30 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00579) USER MOD Single : A 34 THR OG1 : rot 62:sc= 1.14 USER MOD Single : A 38 SER OG : rot 79:sc= 0.169 USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 42 ASN : amide:sc= -0.222 X(o=-0.22,f=-0.0022) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 53 ASN : amide:sc= -0.0216 K(o=-0.022,f=-1.3) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -134:sc= -0.174 (180deg=-1.03) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.0288 K(o=-0.029,f=-2.6!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.0643 USER MOD Single : A 110 THR OG1 : rot 99:sc= 1.3 USER MOD Single : A 115 LYS NZ :NH3+ 157:sc= 0.491 (180deg=-0.658) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.341 USER MOD Single : A 124 MET CE :methyl 179:sc= -0.16 (180deg=-0.163) USER MOD Single : A 135 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 137 ASN : amide:sc= 0.113 K(o=0.11,f=-4!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.0487 X(o=-0.049,f=-0.11) USER MOD Single : A 144 MET CE :methyl 172:sc= -0.0388 (180deg=-0.255) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -11.042 15.134 1.062 1.00 0.00 N ATOM 59 CA THR A 5 -11.492 16.280 0.334 1.00 0.00 C ATOM 60 C THR A 5 -12.928 16.077 -0.010 1.00 0.00 C ATOM 61 O THR A 5 -13.408 14.949 -0.105 1.00 0.00 O ATOM 62 CB THR A 5 -10.714 16.711 -0.874 1.00 0.00 C ATOM 63 OG1 THR A 5 -10.829 15.789 -1.948 1.00 0.00 O ATOM 64 CG2 THR A 5 -9.210 16.850 -0.587 1.00 0.00 C ATOM 0 HA THR A 5 -11.324 17.117 1.012 1.00 0.00 H new ATOM 0 HB THR A 5 -11.145 17.675 -1.143 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.308 16.111 -2.713 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.694 17.164 -1.494 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.056 17.594 0.194 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.812 15.890 -0.257 1.00 0.00 H new ATOM 72 N GLU A 6 -13.653 17.144 -0.391 1.00 0.00 N ATOM 73 CA GLU A 6 -15.025 17.070 -0.786 1.00 0.00 C ATOM 74 C GLU A 6 -15.248 16.363 -2.079 1.00 0.00 C ATOM 75 O GLU A 6 -16.182 15.578 -2.236 1.00 0.00 O ATOM 76 CB GLU A 6 -15.818 18.386 -0.723 1.00 0.00 C ATOM 77 CG GLU A 6 -16.040 18.940 0.685 1.00 0.00 C ATOM 78 CD GLU A 6 -17.329 19.744 0.783 1.00 0.00 C ATOM 79 OE1 GLU A 6 -17.239 20.883 0.252 1.00 0.00 O ATOM 80 OE2 GLU A 6 -18.353 19.229 1.305 1.00 0.00 O ATOM 0 H GLU A 6 -13.271 18.089 -0.425 1.00 0.00 H new ATOM 0 HA GLU A 6 -15.447 16.448 0.004 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.294 19.137 -1.314 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -16.789 18.230 -1.193 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -16.071 18.116 1.398 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -15.196 19.571 0.964 1.00 0.00 H new ATOM 87 N GLU A 7 -14.352 16.482 -3.074 1.00 0.00 N ATOM 88 CA GLU A 7 -14.312 15.846 -4.355 1.00 0.00 C ATOM 89 C GLU A 7 -14.096 14.375 -4.246 1.00 0.00 C ATOM 90 O GLU A 7 -14.540 13.667 -5.148 1.00 0.00 O ATOM 91 CB GLU A 7 -13.382 16.545 -5.360 1.00 0.00 C ATOM 92 CG GLU A 7 -13.768 17.989 -5.685 1.00 0.00 C ATOM 93 CD GLU A 7 -12.784 18.592 -6.677 1.00 0.00 C ATOM 94 OE1 GLU A 7 -12.833 18.179 -7.867 1.00 0.00 O ATOM 95 OE2 GLU A 7 -11.909 19.407 -6.280 1.00 0.00 O ATOM 0 H GLU A 7 -13.553 17.106 -2.961 1.00 0.00 H new ATOM 0 HA GLU A 7 -15.305 15.966 -4.788 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -12.367 16.534 -4.964 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.369 15.969 -6.285 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.776 18.018 -6.100 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.782 18.583 -4.771 1.00 0.00 H new ATOM 102 N GLN A 8 -13.374 13.910 -3.211 1.00 0.00 N ATOM 103 CA GLN A 8 -13.158 12.533 -2.891 1.00 0.00 C ATOM 104 C GLN A 8 -14.466 11.920 -2.525 1.00 0.00 C ATOM 105 O GLN A 8 -14.967 11.034 -3.215 1.00 0.00 O ATOM 106 CB GLN A 8 -12.048 12.250 -1.865 1.00 0.00 C ATOM 107 CG GLN A 8 -10.641 12.267 -2.464 1.00 0.00 C ATOM 108 CD GLN A 8 -9.595 12.184 -1.361 1.00 0.00 C ATOM 109 OE1 GLN A 8 -9.686 12.920 -0.380 1.00 0.00 O ATOM 110 NE2 GLN A 8 -8.576 11.316 -1.598 1.00 0.00 N ATOM 0 H GLN A 8 -12.911 14.538 -2.555 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.759 12.056 -3.786 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.104 12.992 -1.068 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.227 11.277 -1.408 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.521 11.430 -3.152 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -10.496 13.179 -3.044 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -8.581 10.741 -2.441 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -7.806 11.239 -0.933 1.00 0.00 H new ATOM 119 N ILE A 9 -15.113 12.404 -1.450 1.00 0.00 N ATOM 120 CA ILE A 9 -16.397 11.957 -1.007 1.00 0.00 C ATOM 121 C ILE A 9 -17.475 11.750 -2.014 1.00 0.00 C ATOM 122 O ILE A 9 -18.235 10.783 -2.026 1.00 0.00 O ATOM 123 CB ILE A 9 -16.942 12.762 0.136 1.00 0.00 C ATOM 124 CG1 ILE A 9 -16.032 12.858 1.372 1.00 0.00 C ATOM 125 CG2 ILE A 9 -18.273 12.240 0.703 1.00 0.00 C ATOM 126 CD1 ILE A 9 -16.370 13.954 2.381 1.00 0.00 C ATOM 0 H ILE A 9 -14.723 13.141 -0.863 1.00 0.00 H new ATOM 0 HA ILE A 9 -16.129 10.949 -0.689 1.00 0.00 H new ATOM 0 HB ILE A 9 -17.049 13.730 -0.353 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -16.056 11.899 1.889 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -15.008 13.011 1.031 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -18.594 12.880 1.525 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -19.030 12.248 -0.081 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -18.139 11.222 1.067 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.659 13.921 3.206 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -16.314 14.927 1.893 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -17.378 13.797 2.764 1.00 0.00 H new ATOM 138 N ALA A 10 -17.523 12.768 -2.892 1.00 0.00 N ATOM 139 CA ALA A 10 -18.468 12.813 -3.965 1.00 0.00 C ATOM 140 C ALA A 10 -18.212 11.720 -4.945 1.00 0.00 C ATOM 141 O ALA A 10 -19.132 11.015 -5.358 1.00 0.00 O ATOM 142 CB ALA A 10 -18.544 14.260 -4.480 1.00 0.00 C ATOM 0 H ALA A 10 -16.896 13.572 -2.857 1.00 0.00 H new ATOM 0 HA ALA A 10 -19.486 12.584 -3.650 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -19.260 14.317 -5.300 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -18.864 14.917 -3.672 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -17.561 14.572 -4.834 1.00 0.00 H new ATOM 148 N GLU A 11 -16.947 11.569 -5.376 1.00 0.00 N ATOM 149 CA GLU A 11 -16.509 10.596 -6.328 1.00 0.00 C ATOM 150 C GLU A 11 -16.638 9.223 -5.765 1.00 0.00 C ATOM 151 O GLU A 11 -17.218 8.308 -6.347 1.00 0.00 O ATOM 152 CB GLU A 11 -15.060 10.814 -6.797 1.00 0.00 C ATOM 153 CG GLU A 11 -14.533 9.729 -7.738 1.00 0.00 C ATOM 154 CD GLU A 11 -13.283 10.109 -8.519 1.00 0.00 C ATOM 155 OE1 GLU A 11 -12.762 11.256 -8.485 1.00 0.00 O ATOM 156 OE2 GLU A 11 -12.901 9.260 -9.368 1.00 0.00 O ATOM 0 H GLU A 11 -16.187 12.160 -5.040 1.00 0.00 H new ATOM 0 HA GLU A 11 -17.155 10.713 -7.198 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -14.995 11.778 -7.301 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.411 10.867 -5.923 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -14.320 8.834 -7.154 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -15.320 9.468 -8.445 1.00 0.00 H new ATOM 163 N PHE A 12 -16.445 9.108 -4.439 1.00 0.00 N ATOM 164 CA PHE A 12 -16.689 7.953 -3.632 1.00 0.00 C ATOM 165 C PHE A 12 -18.106 7.511 -3.498 1.00 0.00 C ATOM 166 O PHE A 12 -18.430 6.336 -3.337 1.00 0.00 O ATOM 167 CB PHE A 12 -16.053 8.077 -2.237 1.00 0.00 C ATOM 168 CG PHE A 12 -14.568 8.205 -2.212 1.00 0.00 C ATOM 169 CD1 PHE A 12 -13.761 7.961 -3.298 1.00 0.00 C ATOM 170 CD2 PHE A 12 -13.975 8.430 -0.992 1.00 0.00 C ATOM 171 CE1 PHE A 12 -12.406 8.190 -3.263 1.00 0.00 C ATOM 172 CE2 PHE A 12 -12.622 8.672 -0.952 1.00 0.00 C ATOM 173 CZ PHE A 12 -11.823 8.508 -2.059 1.00 0.00 C ATOM 0 H PHE A 12 -16.089 9.889 -3.887 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.201 7.166 -4.207 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -16.482 8.946 -1.738 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -16.334 7.202 -1.651 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.205 7.578 -4.205 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -14.560 8.417 -0.084 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -11.812 8.122 -4.162 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.174 9.000 -0.025 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.752 8.627 -1.984 1.00 0.00 H new ATOM 183 N LYS A 13 -19.060 8.454 -3.606 1.00 0.00 N ATOM 184 CA LYS A 13 -20.477 8.287 -3.697 1.00 0.00 C ATOM 185 C LYS A 13 -21.018 7.739 -4.973 1.00 0.00 C ATOM 186 O LYS A 13 -21.963 6.952 -5.000 1.00 0.00 O ATOM 187 CB LYS A 13 -21.181 9.513 -3.092 1.00 0.00 C ATOM 188 CG LYS A 13 -22.646 9.320 -2.695 1.00 0.00 C ATOM 189 CD LYS A 13 -23.298 10.614 -2.204 1.00 0.00 C ATOM 190 CE LYS A 13 -24.822 10.742 -2.246 1.00 0.00 C ATOM 191 NZ LYS A 13 -25.500 9.828 -1.299 1.00 0.00 N ATOM 0 H LYS A 13 -18.806 9.441 -3.632 1.00 0.00 H new ATOM 0 HA LYS A 13 -20.743 7.433 -3.074 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -20.625 9.827 -2.209 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -21.125 10.330 -3.811 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -23.203 8.939 -3.551 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -22.710 8.565 -1.911 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -22.984 10.769 -1.172 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -22.883 11.434 -2.790 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -25.102 11.770 -2.016 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -25.172 10.535 -3.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -26.530 9.957 -1.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -25.257 8.844 -1.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -25.190 10.040 -0.329 1.00 0.00 H new ATOM 205 N GLU A 14 -20.282 8.065 -6.051 1.00 0.00 N ATOM 206 CA GLU A 14 -20.371 7.561 -7.386 1.00 0.00 C ATOM 207 C GLU A 14 -19.914 6.144 -7.443 1.00 0.00 C ATOM 208 O GLU A 14 -20.658 5.282 -7.910 1.00 0.00 O ATOM 209 CB GLU A 14 -19.739 8.523 -8.406 1.00 0.00 C ATOM 210 CG GLU A 14 -20.152 9.982 -8.200 1.00 0.00 C ATOM 211 CD GLU A 14 -20.062 10.608 -9.585 1.00 0.00 C ATOM 212 OE1 GLU A 14 -20.947 10.337 -10.440 1.00 0.00 O ATOM 213 OE2 GLU A 14 -19.117 11.395 -9.857 1.00 0.00 O ATOM 0 H GLU A 14 -19.541 8.762 -5.974 1.00 0.00 H new ATOM 0 HA GLU A 14 -21.415 7.525 -7.697 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -18.654 8.448 -8.342 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -20.021 8.212 -9.412 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -21.162 10.055 -7.797 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -19.491 10.485 -7.494 1.00 0.00 H new ATOM 220 N ALA A 15 -18.730 5.855 -6.874 1.00 0.00 N ATOM 221 CA ALA A 15 -18.284 4.526 -6.591 1.00 0.00 C ATOM 222 C ALA A 15 -19.209 3.638 -5.833 1.00 0.00 C ATOM 223 O ALA A 15 -19.602 2.550 -6.250 1.00 0.00 O ATOM 224 CB ALA A 15 -16.866 4.578 -5.997 1.00 0.00 C ATOM 0 H ALA A 15 -18.059 6.573 -6.601 1.00 0.00 H new ATOM 0 HA ALA A 15 -18.269 4.018 -7.555 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.525 3.566 -5.781 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.189 5.044 -6.713 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.878 5.161 -5.076 1.00 0.00 H new ATOM 230 N PHE A 16 -19.739 4.171 -4.718 1.00 0.00 N ATOM 231 CA PHE A 16 -20.660 3.465 -3.881 1.00 0.00 C ATOM 232 C PHE A 16 -21.890 2.961 -4.552 1.00 0.00 C ATOM 233 O PHE A 16 -22.194 1.775 -4.432 1.00 0.00 O ATOM 234 CB PHE A 16 -21.036 4.289 -2.638 1.00 0.00 C ATOM 235 CG PHE A 16 -21.856 3.615 -1.592 1.00 0.00 C ATOM 236 CD1 PHE A 16 -21.287 2.907 -0.559 1.00 0.00 C ATOM 237 CD2 PHE A 16 -23.228 3.665 -1.532 1.00 0.00 C ATOM 238 CE1 PHE A 16 -21.991 2.302 0.456 1.00 0.00 C ATOM 239 CE2 PHE A 16 -23.982 3.045 -0.563 1.00 0.00 C ATOM 240 CZ PHE A 16 -23.354 2.470 0.516 1.00 0.00 C ATOM 0 H PHE A 16 -19.523 5.113 -4.390 1.00 0.00 H new ATOM 0 HA PHE A 16 -20.108 2.572 -3.587 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -20.114 4.636 -2.172 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -21.577 5.175 -2.972 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -20.211 2.820 -0.544 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -23.747 4.227 -2.294 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -21.480 1.703 1.196 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -25.058 3.010 -0.649 1.00 0.00 H new ATOM 0 HZ PHE A 16 -23.915 2.159 1.385 1.00 0.00 H new ATOM 250 N SER A 17 -22.670 3.851 -5.192 1.00 0.00 N ATOM 251 CA SER A 17 -23.878 3.455 -5.846 1.00 0.00 C ATOM 252 C SER A 17 -23.612 2.703 -7.105 1.00 0.00 C ATOM 253 O SER A 17 -24.449 1.977 -7.639 1.00 0.00 O ATOM 254 CB SER A 17 -24.687 4.716 -6.191 1.00 0.00 C ATOM 255 OG SER A 17 -25.967 4.390 -6.712 1.00 0.00 O ATOM 0 H SER A 17 -22.463 4.848 -5.256 1.00 0.00 H new ATOM 0 HA SER A 17 -24.428 2.800 -5.170 1.00 0.00 H new ATOM 0 HB2 SER A 17 -24.803 5.330 -5.298 1.00 0.00 H new ATOM 0 HB3 SER A 17 -24.138 5.313 -6.920 1.00 0.00 H new ATOM 0 HG SER A 17 -26.455 5.214 -6.919 1.00 0.00 H new ATOM 261 N LEU A 18 -22.388 2.832 -7.647 1.00 0.00 N ATOM 262 CA LEU A 18 -21.877 1.944 -8.645 1.00 0.00 C ATOM 263 C LEU A 18 -21.852 0.547 -8.129 1.00 0.00 C ATOM 264 O LEU A 18 -22.250 -0.378 -8.835 1.00 0.00 O ATOM 265 CB LEU A 18 -20.529 2.299 -9.295 1.00 0.00 C ATOM 266 CG LEU A 18 -20.155 1.425 -10.504 1.00 0.00 C ATOM 267 CD1 LEU A 18 -20.999 1.906 -11.696 1.00 0.00 C ATOM 268 CD2 LEU A 18 -18.673 1.340 -10.906 1.00 0.00 C ATOM 0 H LEU A 18 -21.737 3.572 -7.385 1.00 0.00 H new ATOM 0 HA LEU A 18 -22.585 2.058 -9.466 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -20.556 3.342 -9.611 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -19.744 2.213 -8.544 1.00 0.00 H new ATOM 0 HG LEU A 18 -20.368 0.402 -10.194 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -20.761 1.308 -12.575 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -22.058 1.798 -11.459 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -20.778 2.954 -11.899 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -18.568 0.688 -11.773 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -18.306 2.336 -11.154 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -18.094 0.936 -10.076 1.00 0.00 H new ATOM 280 N PHE A 19 -21.425 0.327 -6.873 1.00 0.00 N ATOM 281 CA PHE A 19 -21.252 -0.917 -6.189 1.00 0.00 C ATOM 282 C PHE A 19 -22.526 -1.495 -5.676 1.00 0.00 C ATOM 283 O PHE A 19 -22.702 -2.687 -5.923 1.00 0.00 O ATOM 284 CB PHE A 19 -20.300 -0.815 -4.985 1.00 0.00 C ATOM 285 CG PHE A 19 -18.951 -0.318 -5.374 1.00 0.00 C ATOM 286 CD1 PHE A 19 -18.460 -0.465 -6.650 1.00 0.00 C ATOM 287 CD2 PHE A 19 -18.186 0.324 -4.428 1.00 0.00 C ATOM 288 CE1 PHE A 19 -17.207 -0.017 -6.996 1.00 0.00 C ATOM 289 CE2 PHE A 19 -16.921 0.762 -4.743 1.00 0.00 C ATOM 290 CZ PHE A 19 -16.490 0.670 -6.045 1.00 0.00 C ATOM 0 H PHE A 19 -21.173 1.112 -6.272 1.00 0.00 H new ATOM 0 HA PHE A 19 -20.830 -1.566 -6.956 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -20.730 -0.146 -4.239 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -20.203 -1.795 -4.517 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -19.074 -0.944 -7.399 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -18.580 0.484 -3.435 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -16.800 -0.198 -7.980 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -16.276 1.172 -3.979 1.00 0.00 H new ATOM 0 HZ PHE A 19 -15.565 1.150 -6.328 1.00 0.00 H new ATOM 300 N ASP A 20 -23.465 -0.765 -5.047 1.00 0.00 N ATOM 301 CA ASP A 20 -24.695 -1.270 -4.520 1.00 0.00 C ATOM 302 C ASP A 20 -25.583 -1.770 -5.606 1.00 0.00 C ATOM 303 O ASP A 20 -26.002 -1.015 -6.483 1.00 0.00 O ATOM 304 CB ASP A 20 -25.487 -0.165 -3.801 1.00 0.00 C ATOM 305 CG ASP A 20 -26.536 -0.737 -2.859 1.00 0.00 C ATOM 306 OD1 ASP A 20 -26.696 -1.987 -2.849 1.00 0.00 O ATOM 307 OD2 ASP A 20 -27.294 0.019 -2.195 1.00 0.00 O ATOM 0 H ASP A 20 -23.358 0.238 -4.898 1.00 0.00 H new ATOM 0 HA ASP A 20 -24.421 -2.071 -3.834 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -24.799 0.466 -3.238 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -25.972 0.473 -4.540 1.00 0.00 H new ATOM 312 N LYS A 21 -25.728 -3.092 -5.806 1.00 0.00 N ATOM 313 CA LYS A 21 -26.537 -3.724 -6.802 1.00 0.00 C ATOM 314 C LYS A 21 -27.944 -3.458 -6.388 1.00 0.00 C ATOM 315 O LYS A 21 -28.698 -3.027 -7.258 1.00 0.00 O ATOM 316 CB LYS A 21 -26.277 -5.239 -6.854 1.00 0.00 C ATOM 317 CG LYS A 21 -27.008 -5.991 -7.967 1.00 0.00 C ATOM 318 CD LYS A 21 -26.355 -7.372 -8.040 1.00 0.00 C ATOM 319 CE LYS A 21 -27.001 -8.466 -8.893 1.00 0.00 C ATOM 320 NZ LYS A 21 -26.806 -8.289 -10.350 1.00 0.00 N ATOM 0 H LYS A 21 -25.240 -3.772 -5.224 1.00 0.00 H new ATOM 0 HA LYS A 21 -26.316 -3.338 -7.797 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -25.206 -5.403 -6.970 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -26.564 -5.673 -5.896 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -28.073 -6.074 -7.748 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -26.918 -5.466 -8.918 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -25.337 -7.233 -8.403 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -26.281 -7.753 -7.021 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -26.592 -9.432 -8.597 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -28.070 -8.494 -8.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -27.271 -9.067 -10.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -27.221 -7.383 -10.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -25.789 -8.292 -10.567 1.00 0.00 H new ATOM 334 N ASP A 22 -28.366 -3.652 -5.126 1.00 0.00 N ATOM 335 CA ASP A 22 -29.703 -3.640 -4.619 1.00 0.00 C ATOM 336 C ASP A 22 -30.271 -2.264 -4.687 1.00 0.00 C ATOM 337 O ASP A 22 -31.463 -2.009 -4.848 1.00 0.00 O ATOM 338 CB ASP A 22 -30.048 -4.246 -3.248 1.00 0.00 C ATOM 339 CG ASP A 22 -29.190 -5.466 -2.946 1.00 0.00 C ATOM 340 OD1 ASP A 22 -29.244 -6.454 -3.727 1.00 0.00 O ATOM 341 OD2 ASP A 22 -28.395 -5.409 -1.970 1.00 0.00 O ATOM 0 H ASP A 22 -27.694 -3.837 -4.382 1.00 0.00 H new ATOM 0 HA ASP A 22 -30.159 -4.360 -5.298 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -29.903 -3.496 -2.470 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -31.101 -4.526 -3.227 1.00 0.00 H new ATOM 346 N GLY A 23 -29.419 -1.250 -4.448 1.00 0.00 N ATOM 347 CA GLY A 23 -29.823 0.121 -4.413 1.00 0.00 C ATOM 348 C GLY A 23 -30.565 0.358 -3.143 1.00 0.00 C ATOM 349 O GLY A 23 -31.609 1.007 -3.100 1.00 0.00 O ATOM 0 H GLY A 23 -28.423 -1.388 -4.275 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -28.953 0.775 -4.472 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -30.455 0.353 -5.271 1.00 0.00 H new ATOM 353 N ASP A 24 -30.079 -0.239 -2.040 1.00 0.00 N ATOM 354 CA ASP A 24 -30.699 -0.236 -0.751 1.00 0.00 C ATOM 355 C ASP A 24 -30.078 0.728 0.200 1.00 0.00 C ATOM 356 O ASP A 24 -30.696 1.262 1.119 1.00 0.00 O ATOM 357 CB ASP A 24 -30.790 -1.630 -0.108 1.00 0.00 C ATOM 358 CG ASP A 24 -29.467 -2.163 0.425 1.00 0.00 C ATOM 359 OD1 ASP A 24 -28.519 -2.483 -0.340 1.00 0.00 O ATOM 360 OD2 ASP A 24 -29.355 -2.311 1.671 1.00 0.00 O ATOM 0 H ASP A 24 -29.199 -0.755 -2.049 1.00 0.00 H new ATOM 0 HA ASP A 24 -31.716 0.100 -0.951 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -31.509 -1.593 0.710 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -31.181 -2.332 -0.845 1.00 0.00 H new ATOM 365 N GLY A 25 -28.770 0.981 0.012 1.00 0.00 N ATOM 366 CA GLY A 25 -27.958 1.870 0.784 1.00 0.00 C ATOM 367 C GLY A 25 -26.785 1.309 1.510 1.00 0.00 C ATOM 368 O GLY A 25 -26.246 1.945 2.415 1.00 0.00 O ATOM 0 H GLY A 25 -28.242 0.530 -0.735 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -27.593 2.650 0.116 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -28.602 2.354 1.518 1.00 0.00 H new ATOM 372 N THR A 26 -26.368 0.077 1.168 1.00 0.00 N ATOM 373 CA THR A 26 -25.252 -0.627 1.720 1.00 0.00 C ATOM 374 C THR A 26 -24.595 -1.540 0.743 1.00 0.00 C ATOM 375 O THR A 26 -25.184 -1.963 -0.251 1.00 0.00 O ATOM 376 CB THR A 26 -25.626 -1.432 2.930 1.00 0.00 C ATOM 377 OG1 THR A 26 -26.625 -2.413 2.694 1.00 0.00 O ATOM 378 CG2 THR A 26 -26.056 -0.497 4.072 1.00 0.00 C ATOM 0 H THR A 26 -26.848 -0.467 0.451 1.00 0.00 H new ATOM 0 HA THR A 26 -24.549 0.157 2.001 1.00 0.00 H new ATOM 0 HB THR A 26 -24.730 -1.986 3.210 1.00 0.00 H new ATOM 0 HG1 THR A 26 -27.425 -1.983 2.324 1.00 0.00 H new ATOM 0 HG21 THR A 26 -26.326 -1.090 4.946 1.00 0.00 H new ATOM 0 HG22 THR A 26 -25.232 0.170 4.326 1.00 0.00 H new ATOM 0 HG23 THR A 26 -26.916 0.093 3.755 1.00 0.00 H new ATOM 386 N ILE A 27 -23.378 -2.053 0.997 1.00 0.00 N ATOM 387 CA ILE A 27 -22.583 -2.964 0.235 1.00 0.00 C ATOM 388 C ILE A 27 -22.440 -4.199 1.057 1.00 0.00 C ATOM 389 O ILE A 27 -22.046 -4.127 2.220 1.00 0.00 O ATOM 390 CB ILE A 27 -21.164 -2.535 0.004 1.00 0.00 C ATOM 391 CG1 ILE A 27 -20.984 -1.020 -0.192 1.00 0.00 C ATOM 392 CG2 ILE A 27 -20.670 -3.272 -1.253 1.00 0.00 C ATOM 393 CD1 ILE A 27 -19.539 -0.546 -0.043 1.00 0.00 C ATOM 0 H ILE A 27 -22.891 -1.790 1.854 1.00 0.00 H new ATOM 0 HA ILE A 27 -23.085 -3.062 -0.728 1.00 0.00 H new ATOM 0 HB ILE A 27 -20.590 -2.784 0.897 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -21.346 -0.746 -1.183 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -21.606 -0.493 0.532 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -19.638 -2.988 -1.459 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -20.725 -4.348 -1.089 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -21.297 -3.002 -2.103 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -19.492 0.532 -0.195 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -19.178 -0.788 0.957 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -18.914 -1.044 -0.784 1.00 0.00 H new ATOM 405 N THR A 28 -22.893 -5.382 0.604 1.00 0.00 N ATOM 406 CA THR A 28 -22.719 -6.689 1.157 1.00 0.00 C ATOM 407 C THR A 28 -21.464 -7.308 0.645 1.00 0.00 C ATOM 408 O THR A 28 -20.836 -6.875 -0.319 1.00 0.00 O ATOM 409 CB THR A 28 -23.839 -7.619 0.793 1.00 0.00 C ATOM 410 OG1 THR A 28 -24.142 -7.674 -0.593 1.00 0.00 O ATOM 411 CG2 THR A 28 -25.179 -7.299 1.476 1.00 0.00 C ATOM 0 H THR A 28 -23.446 -5.422 -0.252 1.00 0.00 H new ATOM 0 HA THR A 28 -22.690 -6.554 2.238 1.00 0.00 H new ATOM 0 HB THR A 28 -23.432 -8.568 1.141 1.00 0.00 H new ATOM 0 HG1 THR A 28 -24.474 -6.801 -0.890 1.00 0.00 H new ATOM 0 HG21 THR A 28 -25.932 -8.020 1.156 1.00 0.00 H new ATOM 0 HG22 THR A 28 -25.059 -7.356 2.558 1.00 0.00 H new ATOM 0 HG23 THR A 28 -25.498 -6.294 1.199 1.00 0.00 H new ATOM 419 N THR A 29 -21.188 -8.526 1.145 1.00 0.00 N ATOM 420 CA THR A 29 -20.185 -9.482 0.791 1.00 0.00 C ATOM 421 C THR A 29 -20.178 -9.873 -0.647 1.00 0.00 C ATOM 422 O THR A 29 -19.092 -9.967 -1.217 1.00 0.00 O ATOM 423 CB THR A 29 -20.150 -10.712 1.648 1.00 0.00 C ATOM 424 OG1 THR A 29 -20.619 -10.517 2.974 1.00 0.00 O ATOM 425 CG2 THR A 29 -18.710 -11.247 1.714 1.00 0.00 C ATOM 0 H THR A 29 -21.757 -8.887 1.911 1.00 0.00 H new ATOM 0 HA THR A 29 -19.272 -8.920 0.989 1.00 0.00 H new ATOM 0 HB THR A 29 -20.829 -11.422 1.176 1.00 0.00 H new ATOM 0 HG1 THR A 29 -20.566 -11.362 3.467 1.00 0.00 H new ATOM 0 HG21 THR A 29 -18.682 -12.141 2.337 1.00 0.00 H new ATOM 0 HG22 THR A 29 -18.367 -11.494 0.709 1.00 0.00 H new ATOM 0 HG23 THR A 29 -18.058 -10.486 2.143 1.00 0.00 H new ATOM 433 N LYS A 30 -21.337 -10.065 -1.300 1.00 0.00 N ATOM 434 CA LYS A 30 -21.385 -10.493 -2.664 1.00 0.00 C ATOM 435 C LYS A 30 -21.148 -9.332 -3.568 1.00 0.00 C ATOM 436 O LYS A 30 -20.598 -9.511 -4.653 1.00 0.00 O ATOM 437 CB LYS A 30 -22.676 -11.227 -3.063 1.00 0.00 C ATOM 438 CG LYS A 30 -22.809 -12.645 -2.503 1.00 0.00 C ATOM 439 CD LYS A 30 -23.908 -13.514 -3.117 1.00 0.00 C ATOM 440 CE LYS A 30 -24.118 -14.880 -2.462 1.00 0.00 C ATOM 441 NZ LYS A 30 -22.925 -15.719 -2.711 1.00 0.00 N ATOM 0 H LYS A 30 -22.254 -9.922 -0.876 1.00 0.00 H new ATOM 0 HA LYS A 30 -20.590 -11.231 -2.772 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -23.530 -10.638 -2.728 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -22.728 -11.275 -4.151 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -21.855 -13.156 -2.634 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -22.988 -12.574 -1.430 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -24.848 -12.963 -3.074 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -23.677 -13.669 -4.171 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -24.280 -14.763 -1.390 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -25.008 -15.360 -2.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -23.072 -16.662 -2.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -22.772 -15.809 -3.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -22.092 -15.276 -2.274 1.00 0.00 H new ATOM 455 N GLU A 31 -21.485 -8.108 -3.123 1.00 0.00 N ATOM 456 CA GLU A 31 -21.327 -6.870 -3.822 1.00 0.00 C ATOM 457 C GLU A 31 -19.907 -6.431 -3.707 1.00 0.00 C ATOM 458 O GLU A 31 -19.276 -5.883 -4.609 1.00 0.00 O ATOM 459 CB GLU A 31 -22.302 -5.787 -3.331 1.00 0.00 C ATOM 460 CG GLU A 31 -23.770 -6.168 -3.533 1.00 0.00 C ATOM 461 CD GLU A 31 -24.735 -5.241 -2.807 1.00 0.00 C ATOM 462 OE1 GLU A 31 -24.682 -5.203 -1.549 1.00 0.00 O ATOM 463 OE2 GLU A 31 -25.633 -4.629 -3.444 1.00 0.00 O ATOM 0 H GLU A 31 -21.901 -7.975 -2.201 1.00 0.00 H new ATOM 0 HA GLU A 31 -21.574 -7.028 -4.872 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.124 -5.598 -2.272 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -22.098 -4.856 -3.859 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -23.998 -6.157 -4.599 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -23.925 -7.189 -3.184 1.00 0.00 H new ATOM 470 N LEU A 32 -19.258 -6.678 -2.555 1.00 0.00 N ATOM 471 CA LEU A 32 -17.877 -6.375 -2.345 1.00 0.00 C ATOM 472 C LEU A 32 -17.034 -7.278 -3.178 1.00 0.00 C ATOM 473 O LEU A 32 -16.135 -6.708 -3.793 1.00 0.00 O ATOM 474 CB LEU A 32 -17.442 -6.362 -0.870 1.00 0.00 C ATOM 475 CG LEU A 32 -16.837 -5.050 -0.342 1.00 0.00 C ATOM 476 CD1 LEU A 32 -16.070 -5.392 0.947 1.00 0.00 C ATOM 477 CD2 LEU A 32 -15.767 -4.379 -1.220 1.00 0.00 C ATOM 0 H LEU A 32 -19.709 -7.102 -1.744 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.727 -5.345 -2.667 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -18.309 -6.608 -0.257 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -16.711 -7.157 -0.723 1.00 0.00 H new ATOM 0 HG LEU A 32 -17.687 -4.372 -0.261 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.623 -4.486 1.356 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -16.758 -5.819 1.677 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.285 -6.114 0.722 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -15.421 -3.465 -0.738 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -14.926 -5.060 -1.353 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -16.194 -4.136 -2.193 1.00 0.00 H new ATOM 489 N GLY A 33 -17.421 -8.560 -3.308 1.00 0.00 N ATOM 490 CA GLY A 33 -16.807 -9.446 -4.247 1.00 0.00 C ATOM 491 C GLY A 33 -17.068 -9.122 -5.678 1.00 0.00 C ATOM 492 O GLY A 33 -16.179 -9.336 -6.501 1.00 0.00 O ATOM 0 H GLY A 33 -18.166 -8.985 -2.757 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.730 -9.441 -4.079 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.156 -10.460 -4.050 1.00 0.00 H new ATOM 496 N THR A 34 -18.224 -8.495 -5.958 1.00 0.00 N ATOM 497 CA THR A 34 -18.569 -8.231 -7.320 1.00 0.00 C ATOM 498 C THR A 34 -17.637 -7.249 -7.942 1.00 0.00 C ATOM 499 O THR A 34 -17.258 -7.262 -9.112 1.00 0.00 O ATOM 500 CB THR A 34 -19.981 -7.798 -7.580 1.00 0.00 C ATOM 501 OG1 THR A 34 -20.899 -8.854 -7.340 1.00 0.00 O ATOM 502 CG2 THR A 34 -20.236 -7.415 -9.048 1.00 0.00 C ATOM 0 H THR A 34 -18.902 -8.179 -5.265 1.00 0.00 H new ATOM 0 HA THR A 34 -18.473 -9.212 -7.785 1.00 0.00 H new ATOM 0 HB THR A 34 -20.121 -6.946 -6.915 1.00 0.00 H new ATOM 0 HG1 THR A 34 -20.850 -9.122 -6.399 1.00 0.00 H new ATOM 0 HG21 THR A 34 -21.276 -7.111 -9.169 1.00 0.00 H new ATOM 0 HG22 THR A 34 -19.582 -6.589 -9.328 1.00 0.00 H new ATOM 0 HG23 THR A 34 -20.031 -8.273 -9.689 1.00 0.00 H new ATOM 510 N VAL A 35 -17.062 -6.316 -7.162 1.00 0.00 N ATOM 511 CA VAL A 35 -16.051 -5.350 -7.462 1.00 0.00 C ATOM 512 C VAL A 35 -14.772 -5.989 -7.882 1.00 0.00 C ATOM 513 O VAL A 35 -14.328 -5.808 -9.014 1.00 0.00 O ATOM 514 CB VAL A 35 -15.929 -4.403 -6.305 1.00 0.00 C ATOM 515 CG1 VAL A 35 -14.788 -3.407 -6.573 1.00 0.00 C ATOM 516 CG2 VAL A 35 -17.220 -3.601 -6.070 1.00 0.00 C ATOM 0 H VAL A 35 -17.350 -6.232 -6.187 1.00 0.00 H new ATOM 0 HA VAL A 35 -16.341 -4.761 -8.332 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.729 -5.005 -5.418 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.700 -2.719 -5.732 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.852 -3.951 -6.696 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -15.003 -2.844 -7.481 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -17.082 -2.930 -5.222 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -17.453 -3.018 -6.961 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -18.041 -4.286 -5.860 1.00 0.00 H new ATOM 526 N MET A 36 -14.144 -6.796 -7.010 1.00 0.00 N ATOM 527 CA MET A 36 -12.902 -7.493 -7.149 1.00 0.00 C ATOM 528 C MET A 36 -13.002 -8.436 -8.298 1.00 0.00 C ATOM 529 O MET A 36 -12.049 -8.591 -9.059 1.00 0.00 O ATOM 530 CB MET A 36 -12.395 -8.208 -5.885 1.00 0.00 C ATOM 531 CG MET A 36 -12.412 -7.369 -4.606 1.00 0.00 C ATOM 532 SD MET A 36 -11.405 -5.863 -4.754 1.00 0.00 S ATOM 533 CE MET A 36 -12.002 -5.400 -3.103 1.00 0.00 C ATOM 0 H MET A 36 -14.560 -6.980 -6.097 1.00 0.00 H new ATOM 0 HA MET A 36 -12.146 -6.730 -7.333 1.00 0.00 H new ATOM 0 HB2 MET A 36 -13.002 -9.099 -5.723 1.00 0.00 H new ATOM 0 HB3 MET A 36 -11.374 -8.546 -6.064 1.00 0.00 H new ATOM 0 HG2 MET A 36 -13.440 -7.094 -4.368 1.00 0.00 H new ATOM 0 HG3 MET A 36 -12.043 -7.970 -3.775 1.00 0.00 H new ATOM 0 HE1 MET A 36 -11.358 -4.624 -2.688 1.00 0.00 H new ATOM 0 HE2 MET A 36 -13.022 -5.024 -3.177 1.00 0.00 H new ATOM 0 HE3 MET A 36 -11.984 -6.274 -2.451 1.00 0.00 H new ATOM 543 N ARG A 37 -14.180 -9.031 -8.558 1.00 0.00 N ATOM 544 CA ARG A 37 -14.464 -9.824 -9.714 1.00 0.00 C ATOM 545 C ARG A 37 -14.584 -9.087 -11.003 1.00 0.00 C ATOM 546 O ARG A 37 -14.107 -9.588 -12.020 1.00 0.00 O ATOM 547 CB ARG A 37 -15.716 -10.709 -9.593 1.00 0.00 C ATOM 548 CG ARG A 37 -15.717 -11.812 -8.533 1.00 0.00 C ATOM 549 CD ARG A 37 -14.681 -12.934 -8.619 1.00 0.00 C ATOM 550 NE ARG A 37 -14.946 -13.696 -9.872 1.00 0.00 N ATOM 551 CZ ARG A 37 -14.190 -13.596 -11.005 1.00 0.00 C ATOM 552 NH1 ARG A 37 -12.998 -12.951 -11.165 1.00 0.00 N ATOM 553 NH2 ARG A 37 -14.653 -14.216 -12.129 1.00 0.00 N ATOM 0 H ARG A 37 -14.978 -8.954 -7.927 1.00 0.00 H new ATOM 0 HA ARG A 37 -13.563 -10.437 -9.742 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -16.568 -10.057 -9.397 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -15.889 -11.177 -10.562 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -15.600 -11.332 -7.561 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -16.703 -12.276 -8.544 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.671 -12.523 -8.627 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -14.752 -13.589 -7.750 1.00 0.00 H new ATOM 0 HE ARG A 37 -15.743 -14.333 -9.884 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -12.571 -12.466 -10.376 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -12.535 -12.954 -12.074 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -15.534 -14.730 -12.102 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -14.118 -14.166 -12.996 1.00 0.00 H new ATOM 567 N SER A 38 -15.077 -7.837 -11.052 1.00 0.00 N ATOM 568 CA SER A 38 -15.035 -7.071 -12.259 1.00 0.00 C ATOM 569 C SER A 38 -13.675 -6.549 -12.570 1.00 0.00 C ATOM 570 O SER A 38 -13.339 -6.124 -13.674 1.00 0.00 O ATOM 571 CB SER A 38 -15.996 -5.871 -12.207 1.00 0.00 C ATOM 572 OG SER A 38 -17.264 -6.510 -12.155 1.00 0.00 O ATOM 0 H SER A 38 -15.503 -7.358 -10.259 1.00 0.00 H new ATOM 0 HA SER A 38 -15.338 -7.767 -13.041 1.00 0.00 H new ATOM 0 HB2 SER A 38 -15.819 -5.244 -11.333 1.00 0.00 H new ATOM 0 HB3 SER A 38 -15.897 -5.231 -13.084 1.00 0.00 H new ATOM 0 HG SER A 38 -17.435 -6.823 -11.242 1.00 0.00 H new ATOM 578 N LEU A 39 -12.685 -6.796 -11.694 1.00 0.00 N ATOM 579 CA LEU A 39 -11.317 -6.405 -11.839 1.00 0.00 C ATOM 580 C LEU A 39 -10.480 -7.626 -12.010 1.00 0.00 C ATOM 581 O LEU A 39 -9.293 -7.624 -11.687 1.00 0.00 O ATOM 582 CB LEU A 39 -10.899 -5.536 -10.641 1.00 0.00 C ATOM 583 CG LEU A 39 -11.694 -4.221 -10.574 1.00 0.00 C ATOM 584 CD1 LEU A 39 -11.343 -3.309 -9.387 1.00 0.00 C ATOM 585 CD2 LEU A 39 -11.359 -3.292 -11.754 1.00 0.00 C ATOM 0 H LEU A 39 -12.853 -7.304 -10.825 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.174 -5.792 -12.729 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -11.048 -6.096 -9.718 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.834 -5.312 -10.710 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.720 -4.586 -10.533 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.955 -2.408 -9.427 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.535 -3.837 -8.453 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.289 -3.034 -9.438 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.941 -2.374 -11.671 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.296 -3.051 -11.737 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.603 -3.792 -12.691 1.00 0.00 H new ATOM 597 N GLY A 40 -11.055 -8.785 -12.378 1.00 0.00 N ATOM 598 CA GLY A 40 -10.382 -9.991 -12.747 1.00 0.00 C ATOM 599 C GLY A 40 -9.967 -10.898 -11.640 1.00 0.00 C ATOM 600 O GLY A 40 -9.548 -12.035 -11.850 1.00 0.00 O ATOM 0 H GLY A 40 -12.069 -8.885 -12.420 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.033 -10.551 -13.418 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.492 -9.722 -13.317 1.00 0.00 H new ATOM 604 N GLN A 41 -9.992 -10.445 -10.373 1.00 0.00 N ATOM 605 CA GLN A 41 -9.484 -11.055 -9.184 1.00 0.00 C ATOM 606 C GLN A 41 -10.377 -12.101 -8.609 1.00 0.00 C ATOM 607 O GLN A 41 -11.535 -12.252 -8.993 1.00 0.00 O ATOM 608 CB GLN A 41 -9.243 -9.946 -8.146 1.00 0.00 C ATOM 609 CG GLN A 41 -8.198 -8.929 -8.606 1.00 0.00 C ATOM 610 CD GLN A 41 -6.755 -9.391 -8.456 1.00 0.00 C ATOM 611 OE1 GLN A 41 -6.454 -10.556 -8.200 1.00 0.00 O ATOM 612 NE2 GLN A 41 -5.784 -8.451 -8.609 1.00 0.00 N ATOM 0 H GLN A 41 -10.420 -9.544 -10.162 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.561 -11.571 -9.449 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.182 -9.431 -7.945 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.919 -10.396 -7.208 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.381 -8.688 -9.653 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.332 -8.008 -8.038 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.037 -7.486 -8.821 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.803 -8.711 -8.512 1.00 0.00 H new ATOM 621 N ASN A 42 -9.841 -12.882 -7.654 1.00 0.00 N ATOM 622 CA ASN A 42 -10.411 -14.011 -6.987 1.00 0.00 C ATOM 623 C ASN A 42 -10.215 -14.020 -5.510 1.00 0.00 C ATOM 624 O ASN A 42 -9.489 -14.880 -5.014 1.00 0.00 O ATOM 625 CB ASN A 42 -9.757 -15.269 -7.584 1.00 0.00 C ATOM 626 CG ASN A 42 -9.886 -15.394 -9.096 1.00 0.00 C ATOM 627 OD1 ASN A 42 -10.798 -16.013 -9.641 1.00 0.00 O ATOM 628 ND2 ASN A 42 -8.906 -14.717 -9.752 1.00 0.00 N ATOM 0 H ASN A 42 -8.898 -12.697 -7.312 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.489 -13.972 -7.141 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.699 -15.272 -7.321 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.203 -16.149 -7.121 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.894 -14.699 -10.772 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.183 -14.227 -9.224 1.00 0.00 H new ATOM 635 N PRO A 43 -10.827 -13.181 -4.728 1.00 0.00 N ATOM 636 CA PRO A 43 -10.746 -13.143 -3.296 1.00 0.00 C ATOM 637 C PRO A 43 -11.473 -14.282 -2.668 1.00 0.00 C ATOM 638 O PRO A 43 -12.193 -15.050 -3.304 1.00 0.00 O ATOM 639 CB PRO A 43 -11.394 -11.821 -2.892 1.00 0.00 C ATOM 640 CG PRO A 43 -12.462 -11.608 -3.977 1.00 0.00 C ATOM 641 CD PRO A 43 -11.694 -12.116 -5.207 1.00 0.00 C ATOM 0 HA PRO A 43 -9.711 -13.223 -2.963 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -11.836 -11.877 -1.897 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -10.670 -11.006 -2.874 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -13.370 -12.180 -3.787 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -12.758 -10.563 -4.072 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -12.380 -12.485 -5.970 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -11.112 -11.314 -5.662 1.00 0.00 H new ATOM 649 N THR A 44 -11.325 -14.358 -1.333 1.00 0.00 N ATOM 650 CA THR A 44 -12.063 -15.303 -0.554 1.00 0.00 C ATOM 651 C THR A 44 -13.090 -14.496 0.162 1.00 0.00 C ATOM 652 O THR A 44 -12.898 -13.335 0.522 1.00 0.00 O ATOM 653 CB THR A 44 -11.336 -16.254 0.349 1.00 0.00 C ATOM 654 OG1 THR A 44 -10.483 -15.597 1.276 1.00 0.00 O ATOM 655 CG2 THR A 44 -10.437 -17.138 -0.531 1.00 0.00 C ATOM 0 H THR A 44 -10.694 -13.765 -0.793 1.00 0.00 H new ATOM 0 HA THR A 44 -12.466 -16.038 -1.250 1.00 0.00 H new ATOM 0 HB THR A 44 -12.086 -16.813 0.908 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.037 -16.263 1.839 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.893 -17.843 0.097 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.052 -17.687 -1.244 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.728 -16.511 -1.072 1.00 0.00 H new ATOM 663 N GLU A 45 -14.237 -15.134 0.458 1.00 0.00 N ATOM 664 CA GLU A 45 -15.352 -14.605 1.179 1.00 0.00 C ATOM 665 C GLU A 45 -15.045 -14.141 2.562 1.00 0.00 C ATOM 666 O GLU A 45 -15.416 -13.104 3.111 1.00 0.00 O ATOM 667 CB GLU A 45 -16.409 -15.718 1.283 1.00 0.00 C ATOM 668 CG GLU A 45 -17.165 -15.970 -0.023 1.00 0.00 C ATOM 669 CD GLU A 45 -18.507 -16.656 0.185 1.00 0.00 C ATOM 670 OE1 GLU A 45 -19.362 -16.147 0.958 1.00 0.00 O ATOM 671 OE2 GLU A 45 -18.632 -17.830 -0.257 1.00 0.00 O ATOM 0 H GLU A 45 -14.395 -16.099 0.168 1.00 0.00 H new ATOM 0 HA GLU A 45 -15.688 -13.727 0.628 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.922 -16.642 1.595 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.125 -15.456 2.062 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.325 -15.020 -0.532 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.548 -16.584 -0.680 1.00 0.00 H new ATOM 678 N ALA A 46 -14.183 -14.882 3.279 1.00 0.00 N ATOM 679 CA ALA A 46 -13.565 -14.488 4.508 1.00 0.00 C ATOM 680 C ALA A 46 -12.828 -13.197 4.408 1.00 0.00 C ATOM 681 O ALA A 46 -13.055 -12.232 5.136 1.00 0.00 O ATOM 682 CB ALA A 46 -12.655 -15.535 5.172 1.00 0.00 C ATOM 0 H ALA A 46 -13.899 -15.816 2.982 1.00 0.00 H new ATOM 0 HA ALA A 46 -14.430 -14.370 5.161 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.243 -15.126 6.095 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.235 -16.430 5.399 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.841 -15.792 4.494 1.00 0.00 H new ATOM 688 N GLU A 47 -11.858 -13.137 3.479 1.00 0.00 N ATOM 689 CA GLU A 47 -11.097 -11.950 3.237 1.00 0.00 C ATOM 690 C GLU A 47 -11.876 -10.736 2.865 1.00 0.00 C ATOM 691 O GLU A 47 -11.454 -9.608 3.118 1.00 0.00 O ATOM 692 CB GLU A 47 -9.909 -12.140 2.279 1.00 0.00 C ATOM 693 CG GLU A 47 -8.745 -12.933 2.878 1.00 0.00 C ATOM 694 CD GLU A 47 -7.466 -12.746 2.075 1.00 0.00 C ATOM 695 OE1 GLU A 47 -6.735 -11.728 2.201 1.00 0.00 O ATOM 696 OE2 GLU A 47 -7.192 -13.680 1.274 1.00 0.00 O ATOM 0 H GLU A 47 -11.597 -13.925 2.886 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.698 -11.754 4.232 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.258 -12.650 1.381 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.546 -11.160 1.969 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.579 -12.614 3.907 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.004 -13.991 2.910 1.00 0.00 H new ATOM 703 N LEU A 48 -13.010 -10.979 2.185 1.00 0.00 N ATOM 704 CA LEU A 48 -13.906 -9.923 1.828 1.00 0.00 C ATOM 705 C LEU A 48 -14.697 -9.519 3.024 1.00 0.00 C ATOM 706 O LEU A 48 -14.828 -8.349 3.380 1.00 0.00 O ATOM 707 CB LEU A 48 -14.896 -10.299 0.712 1.00 0.00 C ATOM 708 CG LEU A 48 -14.296 -10.471 -0.693 1.00 0.00 C ATOM 709 CD1 LEU A 48 -15.185 -11.346 -1.593 1.00 0.00 C ATOM 710 CD2 LEU A 48 -14.194 -9.086 -1.355 1.00 0.00 C ATOM 0 H LEU A 48 -13.307 -11.907 1.882 1.00 0.00 H new ATOM 0 HA LEU A 48 -13.281 -9.112 1.455 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.390 -11.230 0.991 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -15.667 -9.530 0.664 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.323 -10.949 -0.583 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -14.725 -11.442 -2.576 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -15.295 -12.334 -1.146 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -16.166 -10.883 -1.696 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -13.770 -9.190 -2.354 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -15.187 -8.643 -1.427 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -13.552 -8.442 -0.754 1.00 0.00 H new ATOM 722 N GLN A 49 -15.206 -10.477 3.819 1.00 0.00 N ATOM 723 CA GLN A 49 -15.932 -10.285 5.037 1.00 0.00 C ATOM 724 C GLN A 49 -15.118 -9.638 6.104 1.00 0.00 C ATOM 725 O GLN A 49 -15.595 -8.847 6.917 1.00 0.00 O ATOM 726 CB GLN A 49 -16.508 -11.646 5.461 1.00 0.00 C ATOM 727 CG GLN A 49 -17.628 -11.523 6.496 1.00 0.00 C ATOM 728 CD GLN A 49 -18.355 -12.835 6.757 1.00 0.00 C ATOM 729 OE1 GLN A 49 -18.894 -13.463 5.848 1.00 0.00 O ATOM 730 NE2 GLN A 49 -18.671 -13.082 8.056 1.00 0.00 N ATOM 0 H GLN A 49 -15.101 -11.465 3.590 1.00 0.00 H new ATOM 0 HA GLN A 49 -16.748 -9.582 4.868 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -16.889 -12.164 4.581 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -15.707 -12.262 5.871 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -17.209 -11.156 7.433 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -18.348 -10.779 6.155 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -18.216 -12.554 8.801 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -19.363 -13.796 8.286 1.00 0.00 H new ATOM 739 N ASP A 50 -13.800 -9.884 6.211 1.00 0.00 N ATOM 740 CA ASP A 50 -12.851 -9.190 7.025 1.00 0.00 C ATOM 741 C ASP A 50 -12.856 -7.709 6.857 1.00 0.00 C ATOM 742 O ASP A 50 -12.912 -6.968 7.837 1.00 0.00 O ATOM 743 CB ASP A 50 -11.421 -9.708 6.795 1.00 0.00 C ATOM 744 CG ASP A 50 -10.617 -9.366 8.041 1.00 0.00 C ATOM 745 OD1 ASP A 50 -11.099 -9.832 9.108 1.00 0.00 O ATOM 746 OD2 ASP A 50 -9.569 -8.674 7.943 1.00 0.00 O ATOM 0 H ASP A 50 -13.362 -10.636 5.680 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.173 -9.400 8.045 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.424 -10.784 6.622 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.980 -9.244 5.913 1.00 0.00 H new ATOM 751 N MET A 51 -12.929 -7.292 5.581 1.00 0.00 N ATOM 752 CA MET A 51 -12.972 -5.919 5.184 1.00 0.00 C ATOM 753 C MET A 51 -14.122 -5.174 5.769 1.00 0.00 C ATOM 754 O MET A 51 -13.963 -4.129 6.398 1.00 0.00 O ATOM 755 CB MET A 51 -13.018 -5.692 3.664 1.00 0.00 C ATOM 756 CG MET A 51 -11.941 -6.423 2.859 1.00 0.00 C ATOM 757 SD MET A 51 -12.231 -6.217 1.077 1.00 0.00 S ATOM 758 CE MET A 51 -10.889 -5.020 0.822 1.00 0.00 C ATOM 0 H MET A 51 -12.959 -7.939 4.793 1.00 0.00 H new ATOM 0 HA MET A 51 -12.028 -5.537 5.573 1.00 0.00 H new ATOM 0 HB2 MET A 51 -13.996 -6.003 3.297 1.00 0.00 H new ATOM 0 HB3 MET A 51 -12.930 -4.623 3.470 1.00 0.00 H new ATOM 0 HG2 MET A 51 -10.957 -6.035 3.121 1.00 0.00 H new ATOM 0 HG3 MET A 51 -11.944 -7.483 3.114 1.00 0.00 H new ATOM 0 HE1 MET A 51 -10.857 -4.727 -0.228 1.00 0.00 H new ATOM 0 HE2 MET A 51 -11.065 -4.139 1.439 1.00 0.00 H new ATOM 0 HE3 MET A 51 -9.938 -5.474 1.101 1.00 0.00 H new ATOM 768 N ILE A 52 -15.309 -5.794 5.643 1.00 0.00 N ATOM 769 CA ILE A 52 -16.551 -5.378 6.216 1.00 0.00 C ATOM 770 C ILE A 52 -16.512 -5.156 7.689 1.00 0.00 C ATOM 771 O ILE A 52 -16.637 -4.015 8.132 1.00 0.00 O ATOM 772 CB ILE A 52 -17.651 -6.367 5.963 1.00 0.00 C ATOM 773 CG1 ILE A 52 -17.830 -6.614 4.456 1.00 0.00 C ATOM 774 CG2 ILE A 52 -18.993 -5.914 6.561 1.00 0.00 C ATOM 775 CD1 ILE A 52 -19.049 -7.425 4.020 1.00 0.00 C ATOM 0 H ILE A 52 -15.406 -6.651 5.099 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.743 -4.427 5.719 1.00 0.00 H new ATOM 0 HB ILE A 52 -17.352 -7.292 6.456 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -17.873 -5.645 3.958 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -16.938 -7.122 4.089 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -19.756 -6.663 6.351 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -18.889 -5.794 7.639 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -19.287 -4.963 6.117 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -19.052 -7.523 2.934 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -19.008 -8.415 4.474 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -19.958 -6.916 4.341 1.00 0.00 H new ATOM 787 N ASN A 53 -16.138 -6.231 8.406 1.00 0.00 N ATOM 788 CA ASN A 53 -16.164 -6.408 9.825 1.00 0.00 C ATOM 789 C ASN A 53 -15.282 -5.469 10.574 1.00 0.00 C ATOM 790 O ASN A 53 -15.505 -5.265 11.766 1.00 0.00 O ATOM 791 CB ASN A 53 -15.770 -7.805 10.333 1.00 0.00 C ATOM 792 CG ASN A 53 -16.893 -8.791 10.044 1.00 0.00 C ATOM 793 OD1 ASN A 53 -17.962 -8.478 9.522 1.00 0.00 O ATOM 794 ND2 ASN A 53 -16.676 -10.051 10.508 1.00 0.00 N ATOM 0 H ASN A 53 -15.779 -7.064 7.938 1.00 0.00 H new ATOM 0 HA ASN A 53 -17.220 -6.220 10.019 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -14.851 -8.133 9.848 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.570 -7.770 11.404 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -17.407 -10.757 10.426 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -15.782 -10.289 10.937 1.00 0.00 H new ATOM 801 N GLU A 54 -14.203 -4.963 9.950 1.00 0.00 N ATOM 802 CA GLU A 54 -13.343 -3.955 10.485 1.00 0.00 C ATOM 803 C GLU A 54 -14.066 -2.707 10.861 1.00 0.00 C ATOM 804 O GLU A 54 -14.001 -2.147 11.955 1.00 0.00 O ATOM 805 CB GLU A 54 -12.137 -3.696 9.566 1.00 0.00 C ATOM 806 CG GLU A 54 -11.121 -2.693 10.116 1.00 0.00 C ATOM 807 CD GLU A 54 -9.867 -2.547 9.266 1.00 0.00 C ATOM 808 OE1 GLU A 54 -9.951 -2.105 8.089 1.00 0.00 O ATOM 809 OE2 GLU A 54 -8.772 -2.869 9.800 1.00 0.00 O ATOM 0 H GLU A 54 -13.916 -5.275 9.022 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.948 -4.346 11.423 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.629 -4.642 9.379 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.501 -3.334 8.604 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.601 -1.719 10.206 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.832 -3.000 11.121 1.00 0.00 H new ATOM 816 N VAL A 55 -14.953 -2.234 9.968 1.00 0.00 N ATOM 817 CA VAL A 55 -15.474 -0.904 9.889 1.00 0.00 C ATOM 818 C VAL A 55 -16.929 -0.790 10.190 1.00 0.00 C ATOM 819 O VAL A 55 -17.411 0.327 10.375 1.00 0.00 O ATOM 820 CB VAL A 55 -15.011 -0.192 8.653 1.00 0.00 C ATOM 821 CG1 VAL A 55 -13.488 -0.338 8.492 1.00 0.00 C ATOM 822 CG2 VAL A 55 -15.772 -0.920 7.532 1.00 0.00 C ATOM 0 H VAL A 55 -15.338 -2.835 9.239 1.00 0.00 H new ATOM 0 HA VAL A 55 -15.031 -0.351 10.717 1.00 0.00 H new ATOM 0 HB VAL A 55 -15.203 0.881 8.663 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -13.166 0.184 7.591 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -12.988 0.093 9.359 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -13.230 -1.394 8.412 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -15.510 -0.480 6.570 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -15.501 -1.976 7.534 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -16.845 -0.820 7.696 1.00 0.00 H new ATOM 832 N ASP A 56 -17.649 -1.921 10.293 1.00 0.00 N ATOM 833 CA ASP A 56 -19.038 -2.118 10.571 1.00 0.00 C ATOM 834 C ASP A 56 -19.409 -1.580 11.910 1.00 0.00 C ATOM 835 O ASP A 56 -19.474 -2.286 12.915 1.00 0.00 O ATOM 836 CB ASP A 56 -19.354 -3.614 10.412 1.00 0.00 C ATOM 837 CG ASP A 56 -20.800 -3.822 9.984 1.00 0.00 C ATOM 838 OD1 ASP A 56 -21.582 -2.845 9.836 1.00 0.00 O ATOM 839 OD2 ASP A 56 -21.111 -5.037 9.865 1.00 0.00 O ATOM 0 H ASP A 56 -17.187 -2.821 10.162 1.00 0.00 H new ATOM 0 HA ASP A 56 -19.648 -1.558 9.862 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -18.685 -4.054 9.673 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -19.172 -4.130 11.354 1.00 0.00 H new ATOM 844 N ALA A 57 -19.636 -0.261 12.045 1.00 0.00 N ATOM 845 CA ALA A 57 -19.877 0.410 13.284 1.00 0.00 C ATOM 846 C ALA A 57 -21.152 -0.028 13.919 1.00 0.00 C ATOM 847 O ALA A 57 -21.220 -0.582 15.015 1.00 0.00 O ATOM 848 CB ALA A 57 -19.967 1.944 13.203 1.00 0.00 C ATOM 0 H ALA A 57 -19.652 0.371 11.245 1.00 0.00 H new ATOM 0 HA ALA A 57 -18.998 0.134 13.866 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -20.152 2.351 14.197 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -19.030 2.344 12.816 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -20.784 2.226 12.538 1.00 0.00 H new ATOM 854 N ASP A 58 -22.194 -0.071 13.070 1.00 0.00 N ATOM 855 CA ASP A 58 -23.543 -0.419 13.389 1.00 0.00 C ATOM 856 C ASP A 58 -23.735 -1.879 13.618 1.00 0.00 C ATOM 857 O ASP A 58 -24.585 -2.334 14.381 1.00 0.00 O ATOM 858 CB ASP A 58 -24.509 0.223 12.377 1.00 0.00 C ATOM 859 CG ASP A 58 -24.228 -0.103 10.917 1.00 0.00 C ATOM 860 OD1 ASP A 58 -23.994 -1.281 10.536 1.00 0.00 O ATOM 861 OD2 ASP A 58 -24.149 0.845 10.091 1.00 0.00 O ATOM 0 H ASP A 58 -22.082 0.156 12.082 1.00 0.00 H new ATOM 0 HA ASP A 58 -23.794 0.007 14.360 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -25.524 -0.096 12.615 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -24.477 1.305 12.504 1.00 0.00 H new ATOM 866 N GLY A 59 -22.973 -2.688 12.861 1.00 0.00 N ATOM 867 CA GLY A 59 -22.985 -4.118 12.834 1.00 0.00 C ATOM 868 C GLY A 59 -24.064 -4.737 12.014 1.00 0.00 C ATOM 869 O GLY A 59 -24.553 -5.822 12.326 1.00 0.00 O ATOM 0 H GLY A 59 -22.287 -2.305 12.210 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -22.023 -4.465 12.457 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -23.077 -4.482 13.857 1.00 0.00 H new ATOM 873 N ASN A 60 -24.607 -4.057 10.989 1.00 0.00 N ATOM 874 CA ASN A 60 -25.643 -4.698 10.241 1.00 0.00 C ATOM 875 C ASN A 60 -25.187 -5.772 9.314 1.00 0.00 C ATOM 876 O ASN A 60 -26.018 -6.425 8.685 1.00 0.00 O ATOM 877 CB ASN A 60 -26.422 -3.566 9.552 1.00 0.00 C ATOM 878 CG ASN A 60 -25.543 -2.843 8.541 1.00 0.00 C ATOM 879 OD1 ASN A 60 -24.316 -2.859 8.460 1.00 0.00 O ATOM 880 ND2 ASN A 60 -26.160 -1.916 7.759 1.00 0.00 N ATOM 0 H ASN A 60 -24.349 -3.117 10.689 1.00 0.00 H new ATOM 0 HA ASN A 60 -26.286 -5.267 10.912 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -27.300 -3.975 9.051 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -26.782 -2.859 10.299 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -25.606 -1.300 7.164 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -27.177 -1.837 7.767 1.00 0.00 H new ATOM 887 N GLY A 61 -23.873 -6.022 9.172 1.00 0.00 N ATOM 888 CA GLY A 61 -23.222 -7.092 8.482 1.00 0.00 C ATOM 889 C GLY A 61 -22.807 -6.529 7.166 1.00 0.00 C ATOM 890 O GLY A 61 -22.261 -7.266 6.346 1.00 0.00 O ATOM 0 H GLY A 61 -23.188 -5.395 9.594 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -22.360 -7.453 9.043 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -23.894 -7.940 8.351 1.00 0.00 H new ATOM 894 N THR A 62 -23.064 -5.236 6.904 1.00 0.00 N ATOM 895 CA THR A 62 -22.834 -4.592 5.647 1.00 0.00 C ATOM 896 C THR A 62 -22.141 -3.275 5.707 1.00 0.00 C ATOM 897 O THR A 62 -22.174 -2.589 6.728 1.00 0.00 O ATOM 898 CB THR A 62 -24.107 -4.474 4.863 1.00 0.00 C ATOM 899 OG1 THR A 62 -25.052 -3.624 5.496 1.00 0.00 O ATOM 900 CG2 THR A 62 -24.890 -5.797 4.831 1.00 0.00 C ATOM 0 H THR A 62 -23.453 -4.606 7.606 1.00 0.00 H new ATOM 0 HA THR A 62 -22.133 -5.253 5.137 1.00 0.00 H new ATOM 0 HB THR A 62 -23.771 -4.123 3.887 1.00 0.00 H new ATOM 0 HG1 THR A 62 -25.865 -3.575 4.951 1.00 0.00 H new ATOM 0 HG21 THR A 62 -25.804 -5.665 4.253 1.00 0.00 H new ATOM 0 HG22 THR A 62 -24.277 -6.571 4.369 1.00 0.00 H new ATOM 0 HG23 THR A 62 -25.144 -6.094 5.848 1.00 0.00 H new ATOM 908 N ILE A 63 -21.494 -2.754 4.649 1.00 0.00 N ATOM 909 CA ILE A 63 -20.784 -1.513 4.618 1.00 0.00 C ATOM 910 C ILE A 63 -21.780 -0.481 4.215 1.00 0.00 C ATOM 911 O ILE A 63 -22.316 -0.560 3.111 1.00 0.00 O ATOM 912 CB ILE A 63 -19.557 -1.581 3.759 1.00 0.00 C ATOM 913 CG1 ILE A 63 -18.513 -2.639 4.155 1.00 0.00 C ATOM 914 CG2 ILE A 63 -18.972 -0.162 3.660 1.00 0.00 C ATOM 915 CD1 ILE A 63 -17.403 -2.865 3.130 1.00 0.00 C ATOM 0 H ILE A 63 -21.466 -3.236 3.751 1.00 0.00 H new ATOM 0 HA ILE A 63 -20.373 -1.251 5.593 1.00 0.00 H new ATOM 0 HB ILE A 63 -19.866 -1.940 2.777 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -18.059 -2.344 5.101 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -19.025 -3.586 4.329 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -18.076 -0.180 3.039 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -19.709 0.505 3.213 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -18.716 0.196 4.657 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -16.717 -3.628 3.499 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -17.840 -3.195 2.187 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -16.859 -1.934 2.971 1.00 0.00 H new ATOM 927 N ASP A 64 -22.111 0.478 5.099 1.00 0.00 N ATOM 928 CA ASP A 64 -22.810 1.689 4.800 1.00 0.00 C ATOM 929 C ASP A 64 -21.853 2.749 4.375 1.00 0.00 C ATOM 930 O ASP A 64 -20.651 2.679 4.625 1.00 0.00 O ATOM 931 CB ASP A 64 -23.586 2.178 6.034 1.00 0.00 C ATOM 932 CG ASP A 64 -24.426 1.110 6.719 1.00 0.00 C ATOM 933 OD1 ASP A 64 -24.006 0.011 7.170 1.00 0.00 O ATOM 934 OD2 ASP A 64 -25.669 1.314 6.693 1.00 0.00 O ATOM 0 H ASP A 64 -21.874 0.401 6.088 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.509 1.485 3.989 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -22.877 2.582 6.756 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -24.239 2.998 5.735 1.00 0.00 H new ATOM 939 N PHE A 65 -22.332 3.805 3.693 1.00 0.00 N ATOM 940 CA PHE A 65 -21.480 4.767 3.066 1.00 0.00 C ATOM 941 C PHE A 65 -20.609 5.581 3.960 1.00 0.00 C ATOM 942 O PHE A 65 -19.492 5.822 3.504 1.00 0.00 O ATOM 943 CB PHE A 65 -22.331 5.674 2.161 1.00 0.00 C ATOM 944 CG PHE A 65 -21.584 6.787 1.510 1.00 0.00 C ATOM 945 CD1 PHE A 65 -20.675 6.608 0.494 1.00 0.00 C ATOM 946 CD2 PHE A 65 -21.786 8.070 1.960 1.00 0.00 C ATOM 947 CE1 PHE A 65 -20.011 7.665 -0.081 1.00 0.00 C ATOM 948 CE2 PHE A 65 -21.133 9.138 1.389 1.00 0.00 C ATOM 949 CZ PHE A 65 -20.268 8.950 0.337 1.00 0.00 C ATOM 0 H PHE A 65 -23.327 3.994 3.575 1.00 0.00 H new ATOM 0 HA PHE A 65 -20.763 4.179 2.494 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -22.790 5.061 1.385 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -23.141 6.098 2.754 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -20.477 5.608 0.138 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -22.470 8.243 2.777 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -19.287 7.486 -0.862 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -21.302 10.134 1.771 1.00 0.00 H new ATOM 0 HZ PHE A 65 -19.801 9.793 -0.150 1.00 0.00 H new ATOM 959 N PRO A 66 -20.834 5.889 5.202 1.00 0.00 N ATOM 960 CA PRO A 66 -19.867 6.488 6.075 1.00 0.00 C ATOM 961 C PRO A 66 -18.766 5.546 6.423 1.00 0.00 C ATOM 962 O PRO A 66 -17.637 5.894 6.766 1.00 0.00 O ATOM 963 CB PRO A 66 -20.572 6.934 7.354 1.00 0.00 C ATOM 964 CG PRO A 66 -21.984 7.241 6.830 1.00 0.00 C ATOM 965 CD PRO A 66 -22.162 6.318 5.613 1.00 0.00 C ATOM 0 HA PRO A 66 -19.422 7.337 5.557 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -20.577 6.153 8.114 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -20.100 7.810 7.800 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -22.740 7.043 7.590 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -22.082 8.290 6.549 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -22.782 5.459 5.869 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -22.665 6.844 4.801 1.00 0.00 H new ATOM 973 N GLU A 67 -18.968 4.217 6.392 1.00 0.00 N ATOM 974 CA GLU A 67 -17.949 3.267 6.715 1.00 0.00 C ATOM 975 C GLU A 67 -17.159 2.964 5.488 1.00 0.00 C ATOM 976 O GLU A 67 -16.006 2.539 5.553 1.00 0.00 O ATOM 977 CB GLU A 67 -18.503 1.958 7.302 1.00 0.00 C ATOM 978 CG GLU A 67 -19.633 2.114 8.321 1.00 0.00 C ATOM 979 CD GLU A 67 -20.446 0.847 8.540 1.00 0.00 C ATOM 980 OE1 GLU A 67 -20.810 0.157 7.551 1.00 0.00 O ATOM 981 OE2 GLU A 67 -20.750 0.515 9.717 1.00 0.00 O ATOM 0 H GLU A 67 -19.860 3.793 6.137 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.323 3.717 7.485 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -18.862 1.337 6.481 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -17.683 1.418 7.776 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -19.208 2.431 9.274 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -20.301 2.909 7.989 1.00 0.00 H new ATOM 988 N PHE A 68 -17.757 3.167 4.301 1.00 0.00 N ATOM 989 CA PHE A 68 -16.998 3.315 3.098 1.00 0.00 C ATOM 990 C PHE A 68 -16.004 4.424 3.130 1.00 0.00 C ATOM 991 O PHE A 68 -14.887 4.349 2.621 1.00 0.00 O ATOM 992 CB PHE A 68 -17.822 3.263 1.800 1.00 0.00 C ATOM 993 CG PHE A 68 -16.987 3.230 0.566 1.00 0.00 C ATOM 994 CD1 PHE A 68 -16.572 2.039 0.017 1.00 0.00 C ATOM 995 CD2 PHE A 68 -16.796 4.392 -0.142 1.00 0.00 C ATOM 996 CE1 PHE A 68 -16.011 2.060 -1.238 1.00 0.00 C ATOM 997 CE2 PHE A 68 -16.288 4.379 -1.420 1.00 0.00 C ATOM 998 CZ PHE A 68 -15.868 3.201 -1.991 1.00 0.00 C ATOM 0 H PHE A 68 -18.767 3.229 4.174 1.00 0.00 H new ATOM 0 HA PHE A 68 -16.400 2.404 3.070 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -18.461 2.380 1.820 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -18.479 4.132 1.761 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -16.684 1.111 0.558 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -17.050 5.337 0.315 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -15.663 1.127 -1.656 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -16.219 5.301 -1.979 1.00 0.00 H new ATOM 0 HZ PHE A 68 -15.446 3.173 -2.985 1.00 0.00 H new ATOM 1008 N LEU A 69 -16.287 5.539 3.827 1.00 0.00 N ATOM 1009 CA LEU A 69 -15.419 6.674 3.871 1.00 0.00 C ATOM 1010 C LEU A 69 -14.348 6.451 4.881 1.00 0.00 C ATOM 1011 O LEU A 69 -13.178 6.767 4.667 1.00 0.00 O ATOM 1012 CB LEU A 69 -16.290 7.911 4.149 1.00 0.00 C ATOM 1013 CG LEU A 69 -17.373 8.162 3.086 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -18.290 9.294 3.578 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -16.721 8.490 1.732 1.00 0.00 C ATOM 0 H LEU A 69 -17.141 5.654 4.373 1.00 0.00 H new ATOM 0 HA LEU A 69 -14.901 6.833 2.925 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -16.769 7.795 5.121 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -15.647 8.789 4.213 1.00 0.00 H new ATOM 0 HG LEU A 69 -17.978 7.267 2.937 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -19.064 9.484 2.835 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -18.755 9.002 4.520 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -17.702 10.199 3.729 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -17.497 8.666 0.987 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -16.105 9.384 1.832 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -16.098 7.653 1.416 1.00 0.00 H new ATOM 1027 N THR A 70 -14.661 5.850 6.043 1.00 0.00 N ATOM 1028 CA THR A 70 -13.678 5.409 6.983 1.00 0.00 C ATOM 1029 C THR A 70 -12.616 4.508 6.453 1.00 0.00 C ATOM 1030 O THR A 70 -11.416 4.615 6.701 1.00 0.00 O ATOM 1031 CB THR A 70 -14.342 4.762 8.162 1.00 0.00 C ATOM 1032 OG1 THR A 70 -14.884 5.791 8.977 1.00 0.00 O ATOM 1033 CG2 THR A 70 -13.503 3.887 9.108 1.00 0.00 C ATOM 0 H THR A 70 -15.621 5.666 6.336 1.00 0.00 H new ATOM 0 HA THR A 70 -13.154 6.322 7.268 1.00 0.00 H new ATOM 0 HB THR A 70 -15.049 4.078 7.692 1.00 0.00 H new ATOM 0 HG1 THR A 70 -15.326 5.393 9.756 1.00 0.00 H new ATOM 0 HG21 THR A 70 -14.138 3.499 9.904 1.00 0.00 H new ATOM 0 HG22 THR A 70 -13.073 3.056 8.549 1.00 0.00 H new ATOM 0 HG23 THR A 70 -12.702 4.485 9.542 1.00 0.00 H new ATOM 1041 N MET A 71 -13.091 3.699 5.489 1.00 0.00 N ATOM 1042 CA MET A 71 -12.276 2.777 4.761 1.00 0.00 C ATOM 1043 C MET A 71 -11.439 3.490 3.756 1.00 0.00 C ATOM 1044 O MET A 71 -10.248 3.185 3.694 1.00 0.00 O ATOM 1045 CB MET A 71 -13.174 1.700 4.130 1.00 0.00 C ATOM 1046 CG MET A 71 -12.373 0.501 3.618 1.00 0.00 C ATOM 1047 SD MET A 71 -13.445 -0.631 2.683 1.00 0.00 S ATOM 1048 CE MET A 71 -14.090 -1.497 4.143 1.00 0.00 C ATOM 0 H MET A 71 -14.071 3.686 5.208 1.00 0.00 H new ATOM 0 HA MET A 71 -11.581 2.280 5.437 1.00 0.00 H new ATOM 0 HB2 MET A 71 -13.902 1.360 4.867 1.00 0.00 H new ATOM 0 HB3 MET A 71 -13.736 2.137 3.305 1.00 0.00 H new ATOM 0 HG2 MET A 71 -11.557 0.846 2.983 1.00 0.00 H new ATOM 0 HG3 MET A 71 -11.922 -0.027 4.458 1.00 0.00 H new ATOM 0 HE1 MET A 71 -14.065 -2.573 3.969 1.00 0.00 H new ATOM 0 HE2 MET A 71 -13.476 -1.255 5.010 1.00 0.00 H new ATOM 0 HE3 MET A 71 -15.118 -1.184 4.327 1.00 0.00 H new ATOM 1058 N MET A 72 -11.935 4.349 2.847 1.00 0.00 N ATOM 1059 CA MET A 72 -11.139 5.054 1.892 1.00 0.00 C ATOM 1060 C MET A 72 -10.171 5.991 2.529 1.00 0.00 C ATOM 1061 O MET A 72 -9.054 6.183 2.053 1.00 0.00 O ATOM 1062 CB MET A 72 -12.069 5.825 0.940 1.00 0.00 C ATOM 1063 CG MET A 72 -12.645 4.954 -0.178 1.00 0.00 C ATOM 1064 SD MET A 72 -11.531 4.468 -1.529 1.00 0.00 S ATOM 1065 CE MET A 72 -11.719 2.726 -1.050 1.00 0.00 C ATOM 0 H MET A 72 -12.930 4.560 2.775 1.00 0.00 H new ATOM 0 HA MET A 72 -10.549 4.320 1.343 1.00 0.00 H new ATOM 0 HB2 MET A 72 -12.889 6.257 1.514 1.00 0.00 H new ATOM 0 HB3 MET A 72 -11.518 6.655 0.498 1.00 0.00 H new ATOM 0 HG2 MET A 72 -13.040 4.044 0.275 1.00 0.00 H new ATOM 0 HG3 MET A 72 -13.491 5.485 -0.615 1.00 0.00 H new ATOM 0 HE1 MET A 72 -11.127 2.099 -1.717 1.00 0.00 H new ATOM 0 HE2 MET A 72 -11.374 2.591 -0.025 1.00 0.00 H new ATOM 0 HE3 MET A 72 -12.769 2.441 -1.120 1.00 0.00 H new ATOM 1075 N ALA A 73 -10.458 6.647 3.668 1.00 0.00 N ATOM 1076 CA ALA A 73 -9.570 7.521 4.370 1.00 0.00 C ATOM 1077 C ALA A 73 -8.364 6.845 4.925 1.00 0.00 C ATOM 1078 O ALA A 73 -7.238 7.333 4.854 1.00 0.00 O ATOM 1079 CB ALA A 73 -10.345 8.171 5.529 1.00 0.00 C ATOM 0 H ALA A 73 -11.365 6.561 4.126 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.211 8.253 3.646 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.684 8.842 6.077 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.188 8.736 5.131 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.713 7.395 6.201 1.00 0.00 H new ATOM 1234 N GLU A 83 -1.440 5.134 -7.762 1.00 0.00 N ATOM 1235 CA GLU A 83 -2.389 4.681 -8.730 1.00 0.00 C ATOM 1236 C GLU A 83 -1.644 4.246 -9.945 1.00 0.00 C ATOM 1237 O GLU A 83 -1.997 3.224 -10.531 1.00 0.00 O ATOM 1238 CB GLU A 83 -3.378 5.798 -9.102 1.00 0.00 C ATOM 1239 CG GLU A 83 -4.299 6.337 -8.006 1.00 0.00 C ATOM 1240 CD GLU A 83 -5.191 5.271 -7.387 1.00 0.00 C ATOM 1241 OE1 GLU A 83 -6.105 4.759 -8.088 1.00 0.00 O ATOM 1242 OE2 GLU A 83 -4.950 4.771 -6.255 1.00 0.00 O ATOM 0 HA GLU A 83 -2.962 3.854 -8.312 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.803 6.636 -9.496 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -4.005 5.432 -9.915 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.692 6.792 -7.223 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.925 7.126 -8.423 1.00 0.00 H new ATOM 1249 N GLU A 84 -0.518 4.926 -10.228 1.00 0.00 N ATOM 1250 CA GLU A 84 0.428 4.521 -11.220 1.00 0.00 C ATOM 1251 C GLU A 84 1.012 3.166 -11.016 1.00 0.00 C ATOM 1252 O GLU A 84 1.139 2.445 -12.004 1.00 0.00 O ATOM 1253 CB GLU A 84 1.545 5.543 -11.489 1.00 0.00 C ATOM 1254 CG GLU A 84 2.217 5.447 -12.860 1.00 0.00 C ATOM 1255 CD GLU A 84 3.132 6.622 -13.176 1.00 0.00 C ATOM 1256 OE1 GLU A 84 3.479 7.458 -12.300 1.00 0.00 O ATOM 1257 OE2 GLU A 84 3.502 6.699 -14.378 1.00 0.00 O ATOM 0 H GLU A 84 -0.258 5.788 -9.749 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.194 4.469 -12.114 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.130 6.545 -11.378 1.00 0.00 H new ATOM 0 HB3 GLU A 84 2.310 5.428 -10.721 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.795 4.524 -12.908 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.447 5.380 -13.629 1.00 0.00 H new ATOM 1264 N ILE A 85 1.510 2.947 -9.786 1.00 0.00 N ATOM 1265 CA ILE A 85 2.186 1.764 -9.351 1.00 0.00 C ATOM 1266 C ILE A 85 1.283 0.583 -9.249 1.00 0.00 C ATOM 1267 O ILE A 85 1.713 -0.500 -9.643 1.00 0.00 O ATOM 1268 CB ILE A 85 3.111 1.892 -8.177 1.00 0.00 C ATOM 1269 CG1 ILE A 85 2.564 1.977 -6.743 1.00 0.00 C ATOM 1270 CG2 ILE A 85 4.193 2.944 -8.472 1.00 0.00 C ATOM 1271 CD1 ILE A 85 3.550 2.420 -5.662 1.00 0.00 C ATOM 0 H ILE A 85 1.435 3.645 -9.046 1.00 0.00 H new ATOM 0 HA ILE A 85 2.880 1.584 -10.172 1.00 0.00 H new ATOM 0 HB ILE A 85 3.525 0.886 -8.113 1.00 0.00 H new ATOM 0 HG12 ILE A 85 1.721 2.668 -6.740 1.00 0.00 H new ATOM 0 HG13 ILE A 85 2.174 0.997 -6.468 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.860 3.030 -7.614 1.00 0.00 H new ATOM 0 HG22 ILE A 85 4.766 2.641 -9.348 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.721 3.908 -8.663 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.046 2.441 -4.696 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.384 1.719 -5.621 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.924 3.416 -5.897 1.00 0.00 H new ATOM 1283 N ARG A 86 0.053 0.738 -8.727 1.00 0.00 N ATOM 1284 CA ARG A 86 -0.937 -0.293 -8.728 1.00 0.00 C ATOM 1285 C ARG A 86 -1.430 -0.722 -10.067 1.00 0.00 C ATOM 1286 O ARG A 86 -1.433 -1.919 -10.351 1.00 0.00 O ATOM 1287 CB ARG A 86 -2.090 0.134 -7.803 1.00 0.00 C ATOM 1288 CG ARG A 86 -2.968 -1.031 -7.342 1.00 0.00 C ATOM 1289 CD ARG A 86 -4.051 -0.658 -6.327 1.00 0.00 C ATOM 1290 NE ARG A 86 -5.205 -0.028 -7.029 1.00 0.00 N ATOM 1291 CZ ARG A 86 -5.302 1.331 -7.096 1.00 0.00 C ATOM 1292 NH1 ARG A 86 -4.494 2.139 -6.350 1.00 0.00 N ATOM 1293 NH2 ARG A 86 -6.251 1.883 -7.908 1.00 0.00 N ATOM 0 H ARG A 86 -0.261 1.605 -8.292 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.447 -1.192 -8.353 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.676 0.635 -6.928 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.711 0.863 -8.323 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.446 -1.475 -8.215 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.329 -1.798 -6.904 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.381 -1.547 -5.791 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.646 0.030 -5.585 1.00 0.00 H new ATOM 0 HE ARG A 86 -5.922 -0.613 -7.459 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.799 1.729 -5.726 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.585 3.153 -6.417 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -6.871 1.281 -8.450 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -6.340 2.897 -7.972 1.00 0.00 H new ATOM 1307 N GLU A 87 -1.683 0.248 -10.964 1.00 0.00 N ATOM 1308 CA GLU A 87 -1.740 0.004 -12.372 1.00 0.00 C ATOM 1309 C GLU A 87 -0.562 -0.755 -12.878 1.00 0.00 C ATOM 1310 O GLU A 87 -0.703 -1.702 -13.651 1.00 0.00 O ATOM 1311 CB GLU A 87 -2.027 1.339 -13.079 1.00 0.00 C ATOM 1312 CG GLU A 87 -1.924 1.231 -14.602 1.00 0.00 C ATOM 1313 CD GLU A 87 -2.216 2.513 -15.369 1.00 0.00 C ATOM 1314 OE1 GLU A 87 -1.617 3.571 -15.041 1.00 0.00 O ATOM 1315 OE2 GLU A 87 -3.131 2.475 -16.235 1.00 0.00 O ATOM 0 H GLU A 87 -1.851 1.220 -10.706 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.562 -0.672 -12.608 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.026 1.682 -12.809 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.325 2.093 -12.723 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.919 0.895 -14.858 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -2.614 0.459 -14.942 1.00 0.00 H new ATOM 1322 N ALA A 88 0.696 -0.451 -12.512 1.00 0.00 N ATOM 1323 CA ALA A 88 1.756 -1.202 -13.111 1.00 0.00 C ATOM 1324 C ALA A 88 2.108 -2.538 -12.552 1.00 0.00 C ATOM 1325 O ALA A 88 2.590 -3.474 -13.188 1.00 0.00 O ATOM 1326 CB ALA A 88 3.124 -0.500 -13.084 1.00 0.00 C ATOM 0 H ALA A 88 0.971 0.269 -11.843 1.00 0.00 H new ATOM 0 HA ALA A 88 1.291 -1.305 -14.091 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.870 -1.138 -13.558 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.059 0.445 -13.624 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.414 -0.308 -12.051 1.00 0.00 H new ATOM 1332 N PHE A 89 1.654 -2.776 -11.309 1.00 0.00 N ATOM 1333 CA PHE A 89 1.628 -4.058 -10.676 1.00 0.00 C ATOM 1334 C PHE A 89 0.823 -5.005 -11.498 1.00 0.00 C ATOM 1335 O PHE A 89 1.262 -6.115 -11.794 1.00 0.00 O ATOM 1336 CB PHE A 89 1.008 -3.915 -9.276 1.00 0.00 C ATOM 1337 CG PHE A 89 0.938 -5.146 -8.439 1.00 0.00 C ATOM 1338 CD1 PHE A 89 2.096 -5.679 -7.925 1.00 0.00 C ATOM 1339 CD2 PHE A 89 -0.240 -5.829 -8.245 1.00 0.00 C ATOM 1340 CE1 PHE A 89 2.045 -6.792 -7.120 1.00 0.00 C ATOM 1341 CE2 PHE A 89 -0.310 -6.953 -7.457 1.00 0.00 C ATOM 1342 CZ PHE A 89 0.830 -7.350 -6.799 1.00 0.00 C ATOM 0 H PHE A 89 1.285 -2.034 -10.714 1.00 0.00 H new ATOM 0 HA PHE A 89 2.642 -4.446 -10.584 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.578 -3.165 -8.728 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.004 -3.526 -9.391 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.048 -5.223 -8.154 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.138 -5.471 -8.727 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.958 -7.227 -6.740 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.232 -7.507 -7.358 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.771 -8.103 -6.027 1.00 0.00 H new ATOM 1352 N ARG A 90 -0.391 -4.581 -11.894 1.00 0.00 N ATOM 1353 CA ARG A 90 -1.153 -5.409 -12.776 1.00 0.00 C ATOM 1354 C ARG A 90 -0.686 -5.539 -14.185 1.00 0.00 C ATOM 1355 O ARG A 90 -0.896 -6.593 -14.782 1.00 0.00 O ATOM 1356 CB ARG A 90 -2.592 -4.886 -12.632 1.00 0.00 C ATOM 1357 CG ARG A 90 -3.689 -5.338 -13.598 1.00 0.00 C ATOM 1358 CD ARG A 90 -4.274 -6.751 -13.576 1.00 0.00 C ATOM 1359 NE ARG A 90 -3.368 -7.625 -14.373 1.00 0.00 N ATOM 1360 CZ ARG A 90 -3.844 -8.715 -15.044 1.00 0.00 C ATOM 1361 NH1 ARG A 90 -5.171 -8.843 -15.335 1.00 0.00 N ATOM 1362 NH2 ARG A 90 -2.974 -9.617 -15.585 1.00 0.00 N ATOM 0 H ARG A 90 -0.831 -3.703 -11.618 1.00 0.00 H new ATOM 0 HA ARG A 90 -1.041 -6.452 -12.481 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.926 -5.140 -11.626 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -2.545 -3.798 -12.687 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.525 -4.652 -13.462 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.304 -5.176 -14.605 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.355 -7.116 -12.552 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.279 -6.756 -13.997 1.00 0.00 H new ATOM 0 HE ARG A 90 -2.373 -7.405 -14.418 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.828 -8.116 -15.050 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -5.506 -9.665 -15.837 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -1.968 -9.477 -15.488 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.330 -10.431 -16.086 1.00 0.00 H new ATOM 1376 N VAL A 91 -0.032 -4.499 -14.732 1.00 0.00 N ATOM 1377 CA VAL A 91 0.661 -4.684 -15.970 1.00 0.00 C ATOM 1378 C VAL A 91 1.696 -5.749 -15.855 1.00 0.00 C ATOM 1379 O VAL A 91 1.699 -6.699 -16.636 1.00 0.00 O ATOM 1380 CB VAL A 91 1.229 -3.354 -16.367 1.00 0.00 C ATOM 1381 CG1 VAL A 91 2.256 -3.476 -17.506 1.00 0.00 C ATOM 1382 CG2 VAL A 91 0.136 -2.338 -16.739 1.00 0.00 C ATOM 0 H VAL A 91 0.018 -3.561 -14.335 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.017 -5.031 -16.750 1.00 0.00 H new ATOM 0 HB VAL A 91 1.748 -2.978 -15.485 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.639 -2.487 -17.758 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.080 -4.113 -17.186 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.778 -3.914 -18.382 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.599 -1.392 -17.019 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.445 -2.720 -17.578 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.521 -2.181 -15.884 1.00 0.00 H new ATOM 1392 N PHE A 92 2.594 -5.731 -14.853 1.00 0.00 N ATOM 1393 CA PHE A 92 3.649 -6.623 -14.484 1.00 0.00 C ATOM 1394 C PHE A 92 3.147 -7.999 -14.205 1.00 0.00 C ATOM 1395 O PHE A 92 3.759 -8.905 -14.768 1.00 0.00 O ATOM 1396 CB PHE A 92 4.480 -6.117 -13.293 1.00 0.00 C ATOM 1397 CG PHE A 92 5.278 -4.885 -13.550 1.00 0.00 C ATOM 1398 CD1 PHE A 92 5.553 -4.342 -14.783 1.00 0.00 C ATOM 1399 CD2 PHE A 92 5.776 -4.306 -12.406 1.00 0.00 C ATOM 1400 CE1 PHE A 92 6.269 -3.171 -14.874 1.00 0.00 C ATOM 1401 CE2 PHE A 92 6.555 -3.181 -12.538 1.00 0.00 C ATOM 1402 CZ PHE A 92 6.816 -2.593 -13.753 1.00 0.00 C ATOM 0 H PHE A 92 2.567 -4.953 -14.194 1.00 0.00 H new ATOM 0 HA PHE A 92 4.308 -6.660 -15.352 1.00 0.00 H new ATOM 0 HB2 PHE A 92 3.807 -5.926 -12.457 1.00 0.00 H new ATOM 0 HB3 PHE A 92 5.159 -6.911 -12.981 1.00 0.00 H new ATOM 0 HD1 PHE A 92 5.207 -4.835 -15.680 1.00 0.00 H new ATOM 0 HD2 PHE A 92 5.561 -4.723 -11.433 1.00 0.00 H new ATOM 0 HE1 PHE A 92 6.403 -2.700 -15.837 1.00 0.00 H new ATOM 0 HE2 PHE A 92 6.980 -2.740 -11.649 1.00 0.00 H new ATOM 0 HZ PHE A 92 7.430 -1.707 -13.824 1.00 0.00 H new ATOM 1412 N ASP A 93 1.982 -8.208 -13.568 1.00 0.00 N ATOM 1413 CA ASP A 93 1.383 -9.489 -13.357 1.00 0.00 C ATOM 1414 C ASP A 93 0.680 -9.788 -14.637 1.00 0.00 C ATOM 1415 O ASP A 93 -0.471 -9.467 -14.927 1.00 0.00 O ATOM 1416 CB ASP A 93 0.452 -9.611 -12.140 1.00 0.00 C ATOM 1417 CG ASP A 93 0.057 -11.010 -11.689 1.00 0.00 C ATOM 1418 OD1 ASP A 93 0.414 -11.975 -12.418 1.00 0.00 O ATOM 1419 OD2 ASP A 93 -0.633 -11.210 -10.654 1.00 0.00 O ATOM 0 H ASP A 93 1.429 -7.444 -13.180 1.00 0.00 H new ATOM 0 HA ASP A 93 2.157 -10.213 -13.105 1.00 0.00 H new ATOM 0 HB2 ASP A 93 0.932 -9.111 -11.299 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -0.462 -9.059 -12.360 1.00 0.00 H new ATOM 1424 N LYS A 94 1.314 -10.678 -15.421 1.00 0.00 N ATOM 1425 CA LYS A 94 0.800 -11.084 -16.692 1.00 0.00 C ATOM 1426 C LYS A 94 -0.321 -12.065 -16.670 1.00 0.00 C ATOM 1427 O LYS A 94 -1.334 -11.906 -17.350 1.00 0.00 O ATOM 1428 CB LYS A 94 1.974 -11.565 -17.561 1.00 0.00 C ATOM 1429 CG LYS A 94 1.554 -12.025 -18.959 1.00 0.00 C ATOM 1430 CD LYS A 94 0.954 -10.855 -19.742 1.00 0.00 C ATOM 1431 CE LYS A 94 1.255 -10.805 -21.241 1.00 0.00 C ATOM 1432 NZ LYS A 94 0.634 -9.576 -21.784 1.00 0.00 N ATOM 0 H LYS A 94 2.197 -11.123 -15.169 1.00 0.00 H new ATOM 0 HA LYS A 94 0.326 -10.204 -17.126 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.699 -10.757 -17.656 1.00 0.00 H new ATOM 0 HB3 LYS A 94 2.478 -12.387 -17.053 1.00 0.00 H new ATOM 0 HG2 LYS A 94 2.416 -12.425 -19.493 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.825 -12.832 -18.881 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -0.128 -10.878 -19.613 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.309 -9.927 -19.293 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.331 -10.799 -21.415 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.856 -11.688 -21.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.822 -9.514 -22.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -0.393 -9.605 -21.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.036 -8.744 -21.307 1.00 0.00 H new ATOM 1446 N ASP A 95 -0.186 -13.167 -15.912 1.00 0.00 N ATOM 1447 CA ASP A 95 -1.177 -14.145 -15.584 1.00 0.00 C ATOM 1448 C ASP A 95 -2.328 -13.568 -14.832 1.00 0.00 C ATOM 1449 O ASP A 95 -3.466 -13.903 -15.159 1.00 0.00 O ATOM 1450 CB ASP A 95 -0.493 -15.385 -14.985 1.00 0.00 C ATOM 1451 CG ASP A 95 0.089 -15.081 -13.612 1.00 0.00 C ATOM 1452 OD1 ASP A 95 -0.515 -14.784 -12.547 1.00 0.00 O ATOM 1453 OD2 ASP A 95 1.348 -15.072 -13.549 1.00 0.00 O ATOM 0 H ASP A 95 0.712 -13.395 -15.485 1.00 0.00 H new ATOM 0 HA ASP A 95 -1.673 -14.504 -16.486 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -1.214 -16.199 -14.906 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.299 -15.725 -15.652 1.00 0.00 H new ATOM 1458 N GLY A 96 -2.104 -12.780 -13.766 1.00 0.00 N ATOM 1459 CA GLY A 96 -3.036 -12.221 -12.837 1.00 0.00 C ATOM 1460 C GLY A 96 -3.713 -13.070 -11.817 1.00 0.00 C ATOM 1461 O GLY A 96 -4.934 -13.077 -11.670 1.00 0.00 O ATOM 0 H GLY A 96 -1.151 -12.503 -13.530 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -2.513 -11.432 -12.297 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.820 -11.741 -13.423 1.00 0.00 H new ATOM 1465 N ASN A 97 -2.868 -13.605 -10.917 1.00 0.00 N ATOM 1466 CA ASN A 97 -3.295 -14.300 -9.742 1.00 0.00 C ATOM 1467 C ASN A 97 -3.457 -13.348 -8.607 1.00 0.00 C ATOM 1468 O ASN A 97 -4.172 -13.676 -7.661 1.00 0.00 O ATOM 1469 CB ASN A 97 -2.475 -15.570 -9.457 1.00 0.00 C ATOM 1470 CG ASN A 97 -1.017 -15.366 -9.071 1.00 0.00 C ATOM 1471 OD1 ASN A 97 -0.282 -14.652 -9.751 1.00 0.00 O ATOM 1472 ND2 ASN A 97 -0.658 -16.241 -8.094 1.00 0.00 N ATOM 0 H ASN A 97 -1.854 -13.552 -11.010 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.289 -14.712 -9.915 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.966 -16.120 -8.654 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -2.508 -16.203 -10.344 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.326 -16.361 -7.853 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -1.373 -16.777 -7.602 1.00 0.00 H new ATOM 1479 N GLY A 98 -2.663 -12.263 -8.637 1.00 0.00 N ATOM 1480 CA GLY A 98 -2.625 -11.301 -7.579 1.00 0.00 C ATOM 1481 C GLY A 98 -1.259 -11.246 -6.987 1.00 0.00 C ATOM 1482 O GLY A 98 -1.029 -10.444 -6.083 1.00 0.00 O ATOM 0 H GLY A 98 -2.035 -12.049 -9.412 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -2.905 -10.319 -7.960 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.352 -11.564 -6.811 1.00 0.00 H new ATOM 1486 N TYR A 99 -0.312 -12.063 -7.480 1.00 0.00 N ATOM 1487 CA TYR A 99 1.060 -11.951 -7.093 1.00 0.00 C ATOM 1488 C TYR A 99 2.017 -11.911 -8.235 1.00 0.00 C ATOM 1489 O TYR A 99 1.784 -12.393 -9.343 1.00 0.00 O ATOM 1490 CB TYR A 99 1.558 -13.013 -6.099 1.00 0.00 C ATOM 1491 CG TYR A 99 0.642 -13.084 -4.926 1.00 0.00 C ATOM 1492 CD1 TYR A 99 0.702 -12.119 -3.948 1.00 0.00 C ATOM 1493 CD2 TYR A 99 -0.444 -13.924 -5.001 1.00 0.00 C ATOM 1494 CE1 TYR A 99 -0.290 -12.012 -3.002 1.00 0.00 C ATOM 1495 CE2 TYR A 99 -1.410 -13.827 -4.027 1.00 0.00 C ATOM 1496 CZ TYR A 99 -1.308 -12.936 -2.984 1.00 0.00 C ATOM 1497 OH TYR A 99 -2.130 -12.930 -1.837 1.00 0.00 O ATOM 0 H TYR A 99 -0.499 -12.807 -8.152 1.00 0.00 H new ATOM 0 HA TYR A 99 1.052 -10.986 -6.586 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.610 -13.985 -6.589 1.00 0.00 H new ATOM 0 HB3 TYR A 99 2.567 -12.768 -5.768 1.00 0.00 H new ATOM 0 HD1 TYR A 99 1.539 -11.437 -3.923 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -0.536 -14.641 -5.803 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -0.270 -11.209 -2.280 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -2.276 -14.470 -4.083 1.00 0.00 H new ATOM 0 HH TYR A 99 -2.820 -13.621 -1.925 1.00 0.00 H new ATOM 1507 N ILE A 100 3.197 -11.322 -7.975 1.00 0.00 N ATOM 1508 CA ILE A 100 4.330 -11.361 -8.847 1.00 0.00 C ATOM 1509 C ILE A 100 5.293 -12.345 -8.277 1.00 0.00 C ATOM 1510 O ILE A 100 5.810 -12.136 -7.181 1.00 0.00 O ATOM 1511 CB ILE A 100 4.967 -10.030 -9.120 1.00 0.00 C ATOM 1512 CG1 ILE A 100 3.886 -9.042 -9.591 1.00 0.00 C ATOM 1513 CG2 ILE A 100 5.982 -10.143 -10.270 1.00 0.00 C ATOM 1514 CD1 ILE A 100 4.295 -7.578 -9.436 1.00 0.00 C ATOM 0 H ILE A 100 3.370 -10.795 -7.119 1.00 0.00 H new ATOM 0 HA ILE A 100 3.990 -11.671 -9.835 1.00 0.00 H new ATOM 0 HB ILE A 100 5.457 -9.696 -8.205 1.00 0.00 H new ATOM 0 HG12 ILE A 100 3.656 -9.239 -10.638 1.00 0.00 H new ATOM 0 HG13 ILE A 100 2.971 -9.218 -9.025 1.00 0.00 H new ATOM 0 HG21 ILE A 100 6.434 -9.168 -10.454 1.00 0.00 H new ATOM 0 HG22 ILE A 100 6.759 -10.858 -10.000 1.00 0.00 H new ATOM 0 HG23 ILE A 100 5.473 -10.483 -11.172 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.487 -6.936 -9.787 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.498 -7.366 -8.386 1.00 0.00 H new ATOM 0 HD13 ILE A 100 5.192 -7.387 -10.024 1.00 0.00 H new ATOM 1526 N SER A 101 5.622 -13.480 -8.919 1.00 0.00 N ATOM 1527 CA SER A 101 6.590 -14.381 -8.375 1.00 0.00 C ATOM 1528 C SER A 101 7.922 -13.831 -8.757 1.00 0.00 C ATOM 1529 O SER A 101 8.050 -12.970 -9.626 1.00 0.00 O ATOM 1530 CB SER A 101 6.353 -15.839 -8.805 1.00 0.00 C ATOM 1531 OG SER A 101 6.635 -16.042 -10.182 1.00 0.00 O ATOM 0 H SER A 101 5.220 -13.773 -9.810 1.00 0.00 H new ATOM 0 HA SER A 101 6.516 -14.442 -7.289 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.980 -16.500 -8.206 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.317 -16.112 -8.603 1.00 0.00 H new ATOM 0 HG SER A 101 6.474 -16.980 -10.414 1.00 0.00 H new ATOM 1537 N ALA A 102 9.011 -14.219 -8.070 1.00 0.00 N ATOM 1538 CA ALA A 102 10.309 -13.688 -8.350 1.00 0.00 C ATOM 1539 C ALA A 102 10.810 -13.922 -9.733 1.00 0.00 C ATOM 1540 O ALA A 102 11.584 -13.144 -10.288 1.00 0.00 O ATOM 1541 CB ALA A 102 11.294 -14.212 -7.291 1.00 0.00 C ATOM 0 H ALA A 102 8.992 -14.905 -7.316 1.00 0.00 H new ATOM 0 HA ALA A 102 10.223 -12.603 -8.295 1.00 0.00 H new ATOM 0 HB1 ALA A 102 12.289 -13.815 -7.492 1.00 0.00 H new ATOM 0 HB2 ALA A 102 10.968 -13.892 -6.301 1.00 0.00 H new ATOM 0 HB3 ALA A 102 11.323 -15.301 -7.329 1.00 0.00 H new ATOM 1547 N ALA A 103 10.290 -14.937 -10.447 1.00 0.00 N ATOM 1548 CA ALA A 103 10.519 -15.222 -11.830 1.00 0.00 C ATOM 1549 C ALA A 103 9.886 -14.244 -12.759 1.00 0.00 C ATOM 1550 O ALA A 103 10.427 -13.873 -13.799 1.00 0.00 O ATOM 1551 CB ALA A 103 10.177 -16.699 -12.087 1.00 0.00 C ATOM 0 H ALA A 103 9.657 -15.613 -10.020 1.00 0.00 H new ATOM 0 HA ALA A 103 11.575 -15.085 -12.061 1.00 0.00 H new ATOM 0 HB1 ALA A 103 10.346 -16.934 -13.138 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.811 -17.333 -11.467 1.00 0.00 H new ATOM 0 HB3 ALA A 103 9.131 -16.879 -11.839 1.00 0.00 H new ATOM 1557 N GLU A 104 8.672 -13.804 -12.383 1.00 0.00 N ATOM 1558 CA GLU A 104 8.070 -12.797 -13.200 1.00 0.00 C ATOM 1559 C GLU A 104 8.860 -11.572 -12.891 1.00 0.00 C ATOM 1560 O GLU A 104 9.186 -10.848 -13.831 1.00 0.00 O ATOM 1561 CB GLU A 104 6.636 -12.556 -12.700 1.00 0.00 C ATOM 1562 CG GLU A 104 5.749 -13.801 -12.756 1.00 0.00 C ATOM 1563 CD GLU A 104 4.321 -13.584 -12.277 1.00 0.00 C ATOM 1564 OE1 GLU A 104 3.452 -13.139 -13.073 1.00 0.00 O ATOM 1565 OE2 GLU A 104 3.917 -13.835 -11.109 1.00 0.00 O ATOM 0 H GLU A 104 8.138 -14.117 -11.573 1.00 0.00 H new ATOM 0 HA GLU A 104 8.052 -13.060 -14.258 1.00 0.00 H new ATOM 0 HB2 GLU A 104 6.675 -12.194 -11.673 1.00 0.00 H new ATOM 0 HB3 GLU A 104 6.179 -11.768 -13.299 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.722 -14.166 -13.783 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.206 -14.584 -12.151 1.00 0.00 H new ATOM 1572 N LEU A 105 9.196 -11.137 -11.664 1.00 0.00 N ATOM 1573 CA LEU A 105 9.879 -9.923 -11.339 1.00 0.00 C ATOM 1574 C LEU A 105 11.228 -9.765 -11.951 1.00 0.00 C ATOM 1575 O LEU A 105 11.784 -8.723 -12.294 1.00 0.00 O ATOM 1576 CB LEU A 105 9.813 -9.733 -9.814 1.00 0.00 C ATOM 1577 CG LEU A 105 10.061 -8.262 -9.441 1.00 0.00 C ATOM 1578 CD1 LEU A 105 8.927 -7.340 -9.918 1.00 0.00 C ATOM 1579 CD2 LEU A 105 10.272 -8.380 -7.922 1.00 0.00 C ATOM 0 H LEU A 105 8.971 -11.681 -10.831 1.00 0.00 H new ATOM 0 HA LEU A 105 9.361 -9.090 -11.814 1.00 0.00 H new ATOM 0 HB2 LEU A 105 8.837 -10.048 -9.445 1.00 0.00 H new ATOM 0 HB3 LEU A 105 10.556 -10.367 -9.331 1.00 0.00 H new ATOM 0 HG LEU A 105 10.910 -7.779 -9.925 1.00 0.00 H new ATOM 0 HD11 LEU A 105 9.149 -6.312 -9.631 1.00 0.00 H new ATOM 0 HD12 LEU A 105 8.839 -7.403 -11.003 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.988 -7.651 -9.459 1.00 0.00 H new ATOM 0 HD21 LEU A 105 10.464 -7.392 -7.503 1.00 0.00 H new ATOM 0 HD22 LEU A 105 9.378 -8.802 -7.462 1.00 0.00 H new ATOM 0 HD23 LEU A 105 11.124 -9.030 -7.722 1.00 0.00 H new ATOM 1591 N ARG A 106 11.854 -10.929 -12.201 1.00 0.00 N ATOM 1592 CA ARG A 106 13.047 -11.150 -12.959 1.00 0.00 C ATOM 1593 C ARG A 106 12.976 -10.716 -14.382 1.00 0.00 C ATOM 1594 O ARG A 106 13.674 -9.783 -14.776 1.00 0.00 O ATOM 1595 CB ARG A 106 13.473 -12.620 -12.807 1.00 0.00 C ATOM 1596 CG ARG A 106 14.658 -12.943 -13.720 1.00 0.00 C ATOM 1597 CD ARG A 106 15.040 -14.424 -13.746 1.00 0.00 C ATOM 1598 NE ARG A 106 14.018 -15.096 -14.598 1.00 0.00 N ATOM 1599 CZ ARG A 106 13.387 -16.272 -14.309 1.00 0.00 C ATOM 1600 NH1 ARG A 106 13.675 -17.016 -13.202 1.00 0.00 N ATOM 1601 NH2 ARG A 106 12.493 -16.760 -15.217 1.00 0.00 N ATOM 0 H ARG A 106 11.484 -11.805 -11.832 1.00 0.00 H new ATOM 0 HA ARG A 106 13.817 -10.501 -12.543 1.00 0.00 H new ATOM 0 HB2 ARG A 106 13.743 -12.819 -11.770 1.00 0.00 H new ATOM 0 HB3 ARG A 106 12.634 -13.273 -13.049 1.00 0.00 H new ATOM 0 HG2 ARG A 106 14.420 -12.622 -14.734 1.00 0.00 H new ATOM 0 HG3 ARG A 106 15.521 -12.362 -13.396 1.00 0.00 H new ATOM 0 HD2 ARG A 106 16.041 -14.562 -14.155 1.00 0.00 H new ATOM 0 HD3 ARG A 106 15.046 -14.843 -12.740 1.00 0.00 H new ATOM 0 HE ARG A 106 13.768 -14.637 -15.474 1.00 0.00 H new ATOM 0 HH11 ARG A 106 14.390 -16.700 -12.547 1.00 0.00 H new ATOM 0 HH12 ARG A 106 13.175 -17.888 -13.030 1.00 0.00 H new ATOM 0 HH21 ARG A 106 12.313 -16.249 -16.081 1.00 0.00 H new ATOM 0 HH22 ARG A 106 12.005 -17.636 -15.032 1.00 0.00 H new ATOM 1615 N HIS A 107 12.051 -11.351 -15.124 1.00 0.00 N ATOM 1616 CA HIS A 107 11.708 -11.025 -16.474 1.00 0.00 C ATOM 1617 C HIS A 107 11.224 -9.630 -16.673 1.00 0.00 C ATOM 1618 O HIS A 107 11.763 -8.923 -17.523 1.00 0.00 O ATOM 1619 CB HIS A 107 10.553 -11.987 -16.802 1.00 0.00 C ATOM 1620 CG HIS A 107 10.083 -11.920 -18.225 1.00 0.00 C ATOM 1621 ND1 HIS A 107 10.736 -12.490 -19.298 1.00 0.00 N ATOM 1622 CD2 HIS A 107 8.935 -11.388 -18.725 1.00 0.00 C ATOM 1623 CE1 HIS A 107 9.982 -12.254 -20.405 1.00 0.00 C ATOM 1624 NE2 HIS A 107 8.863 -11.634 -20.081 1.00 0.00 N ATOM 0 H HIS A 107 11.512 -12.137 -14.760 1.00 0.00 H new ATOM 0 HA HIS A 107 12.592 -11.113 -17.105 1.00 0.00 H new ATOM 0 HB2 HIS A 107 10.871 -13.006 -16.584 1.00 0.00 H new ATOM 0 HB3 HIS A 107 9.713 -11.767 -16.143 1.00 0.00 H new ATOM 0 HD2 HIS A 107 8.193 -10.855 -18.149 1.00 0.00 H new ATOM 0 HE1 HIS A 107 10.260 -12.535 -21.410 1.00 0.00 H new ATOM 0 HE2 HIS A 107 8.098 -11.386 -20.708 1.00 0.00 H new ATOM 1632 N VAL A 108 10.223 -9.185 -15.892 1.00 0.00 N ATOM 1633 CA VAL A 108 9.673 -7.865 -15.859 1.00 0.00 C ATOM 1634 C VAL A 108 10.740 -6.853 -15.619 1.00 0.00 C ATOM 1635 O VAL A 108 10.864 -6.011 -16.507 1.00 0.00 O ATOM 1636 CB VAL A 108 8.648 -7.844 -14.764 1.00 0.00 C ATOM 1637 CG1 VAL A 108 8.109 -6.429 -14.494 1.00 0.00 C ATOM 1638 CG2 VAL A 108 7.484 -8.734 -15.232 1.00 0.00 C ATOM 0 H VAL A 108 9.760 -9.804 -15.227 1.00 0.00 H new ATOM 0 HA VAL A 108 9.214 -7.612 -16.815 1.00 0.00 H new ATOM 0 HB VAL A 108 9.105 -8.197 -13.839 1.00 0.00 H new ATOM 0 HG11 VAL A 108 7.370 -6.468 -13.693 1.00 0.00 H new ATOM 0 HG12 VAL A 108 8.931 -5.777 -14.198 1.00 0.00 H new ATOM 0 HG13 VAL A 108 7.643 -6.038 -15.399 1.00 0.00 H new ATOM 0 HG21 VAL A 108 6.709 -8.751 -14.466 1.00 0.00 H new ATOM 0 HG22 VAL A 108 7.070 -8.335 -16.158 1.00 0.00 H new ATOM 0 HG23 VAL A 108 7.847 -9.747 -15.404 1.00 0.00 H new ATOM 1648 N MET A 109 11.581 -6.918 -14.571 1.00 0.00 N ATOM 1649 CA MET A 109 12.511 -5.852 -14.361 1.00 0.00 C ATOM 1650 C MET A 109 13.592 -5.865 -15.386 1.00 0.00 C ATOM 1651 O MET A 109 14.178 -4.863 -15.793 1.00 0.00 O ATOM 1652 CB MET A 109 13.120 -5.686 -12.958 1.00 0.00 C ATOM 1653 CG MET A 109 12.150 -5.155 -11.901 1.00 0.00 C ATOM 1654 SD MET A 109 11.371 -3.530 -12.143 1.00 0.00 S ATOM 1655 CE MET A 109 9.742 -4.056 -11.536 1.00 0.00 C ATOM 0 H MET A 109 11.619 -7.678 -13.892 1.00 0.00 H new ATOM 0 HA MET A 109 11.872 -4.975 -14.466 1.00 0.00 H new ATOM 0 HB2 MET A 109 13.505 -6.651 -12.627 1.00 0.00 H new ATOM 0 HB3 MET A 109 13.971 -5.009 -13.024 1.00 0.00 H new ATOM 0 HG2 MET A 109 11.351 -5.888 -11.792 1.00 0.00 H new ATOM 0 HG3 MET A 109 12.685 -5.124 -10.952 1.00 0.00 H new ATOM 0 HE1 MET A 109 9.090 -3.187 -11.445 1.00 0.00 H new ATOM 0 HE2 MET A 109 9.304 -4.767 -12.237 1.00 0.00 H new ATOM 0 HE3 MET A 109 9.853 -4.530 -10.561 1.00 0.00 H new ATOM 1665 N THR A 110 13.958 -7.034 -15.942 1.00 0.00 N ATOM 1666 CA THR A 110 14.965 -7.080 -16.956 1.00 0.00 C ATOM 1667 C THR A 110 14.554 -6.403 -18.219 1.00 0.00 C ATOM 1668 O THR A 110 15.339 -5.701 -18.855 1.00 0.00 O ATOM 1669 CB THR A 110 15.267 -8.512 -17.284 1.00 0.00 C ATOM 1670 OG1 THR A 110 15.738 -9.217 -16.145 1.00 0.00 O ATOM 1671 CG2 THR A 110 16.415 -8.596 -18.304 1.00 0.00 C ATOM 0 H THR A 110 13.561 -7.940 -15.692 1.00 0.00 H new ATOM 0 HA THR A 110 15.834 -6.557 -16.558 1.00 0.00 H new ATOM 0 HB THR A 110 14.339 -8.939 -17.663 1.00 0.00 H new ATOM 0 HG1 THR A 110 15.002 -9.729 -15.750 1.00 0.00 H new ATOM 0 HG21 THR A 110 16.623 -9.641 -18.532 1.00 0.00 H new ATOM 0 HG22 THR A 110 16.129 -8.075 -19.218 1.00 0.00 H new ATOM 0 HG23 THR A 110 17.308 -8.131 -17.886 1.00 0.00 H new ATOM 1679 N ASN A 111 13.265 -6.595 -18.551 1.00 0.00 N ATOM 1680 CA ASN A 111 12.678 -6.003 -19.713 1.00 0.00 C ATOM 1681 C ASN A 111 12.485 -4.533 -19.567 1.00 0.00 C ATOM 1682 O ASN A 111 12.571 -3.778 -20.535 1.00 0.00 O ATOM 1683 CB ASN A 111 11.335 -6.596 -20.171 1.00 0.00 C ATOM 1684 CG ASN A 111 11.446 -8.082 -20.480 1.00 0.00 C ATOM 1685 OD1 ASN A 111 12.541 -8.551 -20.786 1.00 0.00 O ATOM 1686 ND2 ASN A 111 10.353 -8.890 -20.442 1.00 0.00 N ATOM 0 H ASN A 111 12.621 -7.169 -18.006 1.00 0.00 H new ATOM 0 HA ASN A 111 13.418 -6.237 -20.478 1.00 0.00 H new ATOM 0 HB2 ASN A 111 10.586 -6.442 -19.394 1.00 0.00 H new ATOM 0 HB3 ASN A 111 10.988 -6.066 -21.058 1.00 0.00 H new ATOM 0 HD21 ASN A 111 10.443 -9.881 -20.667 1.00 0.00 H new ATOM 0 HD22 ASN A 111 9.443 -8.505 -20.189 1.00 0.00 H new ATOM 1693 N LEU A 112 12.285 -4.090 -18.313 1.00 0.00 N ATOM 1694 CA LEU A 112 12.099 -2.701 -18.030 1.00 0.00 C ATOM 1695 C LEU A 112 13.411 -1.999 -18.114 1.00 0.00 C ATOM 1696 O LEU A 112 13.508 -0.985 -18.803 1.00 0.00 O ATOM 1697 CB LEU A 112 11.448 -2.388 -16.672 1.00 0.00 C ATOM 1698 CG LEU A 112 11.020 -0.924 -16.481 1.00 0.00 C ATOM 1699 CD1 LEU A 112 10.177 -0.417 -17.663 1.00 0.00 C ATOM 1700 CD2 LEU A 112 10.176 -0.581 -15.241 1.00 0.00 C ATOM 0 H LEU A 112 12.252 -4.696 -17.493 1.00 0.00 H new ATOM 0 HA LEU A 112 11.396 -2.345 -18.783 1.00 0.00 H new ATOM 0 HB2 LEU A 112 10.573 -3.026 -16.550 1.00 0.00 H new ATOM 0 HB3 LEU A 112 12.149 -2.653 -15.880 1.00 0.00 H new ATOM 0 HG LEU A 112 11.995 -0.448 -16.377 1.00 0.00 H new ATOM 0 HD11 LEU A 112 9.895 0.621 -17.490 1.00 0.00 H new ATOM 0 HD12 LEU A 112 10.760 -0.486 -18.582 1.00 0.00 H new ATOM 0 HD13 LEU A 112 9.278 -1.027 -17.757 1.00 0.00 H new ATOM 0 HD21 LEU A 112 9.949 0.485 -15.239 1.00 0.00 H new ATOM 0 HD22 LEU A 112 9.246 -1.150 -15.265 1.00 0.00 H new ATOM 0 HD23 LEU A 112 10.734 -0.835 -14.340 1.00 0.00 H new ATOM 1712 N GLY A 113 14.551 -2.481 -17.586 1.00 0.00 N ATOM 1713 CA GLY A 113 15.756 -1.729 -17.430 1.00 0.00 C ATOM 1714 C GLY A 113 16.737 -2.519 -16.634 1.00 0.00 C ATOM 1715 O GLY A 113 17.710 -3.063 -17.154 1.00 0.00 O ATOM 0 H GLY A 113 14.635 -3.441 -17.252 1.00 0.00 H new ATOM 0 HA2 GLY A 113 16.175 -1.487 -18.407 1.00 0.00 H new ATOM 0 HA3 GLY A 113 15.545 -0.783 -16.931 1.00 0.00 H new ATOM 1719 N GLU A 114 16.646 -2.363 -15.301 1.00 0.00 N ATOM 1720 CA GLU A 114 17.622 -2.804 -14.353 1.00 0.00 C ATOM 1721 C GLU A 114 17.364 -4.259 -14.168 1.00 0.00 C ATOM 1722 O GLU A 114 16.286 -4.740 -13.821 1.00 0.00 O ATOM 1723 CB GLU A 114 17.456 -1.984 -13.063 1.00 0.00 C ATOM 1724 CG GLU A 114 17.754 -0.494 -13.247 1.00 0.00 C ATOM 1725 CD GLU A 114 19.229 -0.220 -13.500 1.00 0.00 C ATOM 1726 OE1 GLU A 114 19.990 -0.210 -12.496 1.00 0.00 O ATOM 1727 OE2 GLU A 114 19.645 -0.166 -14.689 1.00 0.00 O ATOM 0 H GLU A 114 15.848 -1.904 -14.861 1.00 0.00 H new ATOM 0 HA GLU A 114 18.653 -2.659 -14.675 1.00 0.00 H new ATOM 0 HB2 GLU A 114 16.436 -2.100 -12.696 1.00 0.00 H new ATOM 0 HB3 GLU A 114 18.118 -2.387 -12.297 1.00 0.00 H new ATOM 0 HG2 GLU A 114 17.168 -0.110 -14.082 1.00 0.00 H new ATOM 0 HG3 GLU A 114 17.434 0.049 -12.358 1.00 0.00 H new ATOM 1734 N LYS A 115 18.381 -5.119 -14.361 1.00 0.00 N ATOM 1735 CA LYS A 115 18.191 -6.504 -14.660 1.00 0.00 C ATOM 1736 C LYS A 115 18.514 -7.310 -13.449 1.00 0.00 C ATOM 1737 O LYS A 115 19.524 -7.061 -12.792 1.00 0.00 O ATOM 1738 CB LYS A 115 19.110 -6.854 -15.842 1.00 0.00 C ATOM 1739 CG LYS A 115 18.894 -5.886 -17.006 1.00 0.00 C ATOM 1740 CD LYS A 115 19.375 -6.390 -18.369 1.00 0.00 C ATOM 1741 CE LYS A 115 19.117 -5.332 -19.444 1.00 0.00 C ATOM 1742 NZ LYS A 115 19.777 -4.079 -19.014 1.00 0.00 N ATOM 0 H LYS A 115 19.362 -4.843 -14.308 1.00 0.00 H new ATOM 0 HA LYS A 115 17.159 -6.722 -14.936 1.00 0.00 H new ATOM 0 HB2 LYS A 115 20.151 -6.817 -15.522 1.00 0.00 H new ATOM 0 HB3 LYS A 115 18.913 -7.874 -16.171 1.00 0.00 H new ATOM 0 HG2 LYS A 115 17.830 -5.658 -17.075 1.00 0.00 H new ATOM 0 HG3 LYS A 115 19.407 -4.951 -16.780 1.00 0.00 H new ATOM 0 HD2 LYS A 115 20.439 -6.622 -18.324 1.00 0.00 H new ATOM 0 HD3 LYS A 115 18.858 -7.314 -18.626 1.00 0.00 H new ATOM 0 HE2 LYS A 115 19.511 -5.661 -20.406 1.00 0.00 H new ATOM 0 HE3 LYS A 115 18.047 -5.174 -19.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 19.963 -3.482 -19.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 19.157 -3.569 -18.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 20.676 -4.304 -18.542 1.00 0.00 H new ATOM 1756 N LEU A 116 17.760 -8.404 -13.235 1.00 0.00 N ATOM 1757 CA LEU A 116 17.874 -9.400 -12.216 1.00 0.00 C ATOM 1758 C LEU A 116 18.316 -10.665 -12.867 1.00 0.00 C ATOM 1759 O LEU A 116 17.583 -11.162 -13.721 1.00 0.00 O ATOM 1760 CB LEU A 116 16.589 -9.645 -11.407 1.00 0.00 C ATOM 1761 CG LEU A 116 16.128 -8.371 -10.679 1.00 0.00 C ATOM 1762 CD1 LEU A 116 14.672 -8.563 -10.220 1.00 0.00 C ATOM 1763 CD2 LEU A 116 17.105 -8.035 -9.539 1.00 0.00 C ATOM 0 H LEU A 116 16.977 -8.611 -13.855 1.00 0.00 H new ATOM 0 HA LEU A 116 18.597 -9.036 -11.486 1.00 0.00 H new ATOM 0 HB2 LEU A 116 15.799 -9.990 -12.074 1.00 0.00 H new ATOM 0 HB3 LEU A 116 16.762 -10.438 -10.680 1.00 0.00 H new ATOM 0 HG LEU A 116 16.142 -7.508 -11.344 1.00 0.00 H new ATOM 0 HD11 LEU A 116 14.333 -7.666 -9.702 1.00 0.00 H new ATOM 0 HD12 LEU A 116 14.038 -8.743 -11.088 1.00 0.00 H new ATOM 0 HD13 LEU A 116 14.613 -9.416 -9.545 1.00 0.00 H new ATOM 0 HD21 LEU A 116 16.772 -7.132 -9.028 1.00 0.00 H new ATOM 0 HD22 LEU A 116 17.135 -8.862 -8.830 1.00 0.00 H new ATOM 0 HD23 LEU A 116 18.101 -7.873 -9.950 1.00 0.00 H new ATOM 1775 N THR A 117 19.412 -11.334 -12.468 1.00 0.00 N ATOM 1776 CA THR A 117 19.678 -12.714 -12.729 1.00 0.00 C ATOM 1777 C THR A 117 18.997 -13.532 -11.686 1.00 0.00 C ATOM 1778 O THR A 117 18.608 -13.006 -10.644 1.00 0.00 O ATOM 1779 CB THR A 117 21.120 -13.118 -12.642 1.00 0.00 C ATOM 1780 OG1 THR A 117 21.738 -12.771 -11.412 1.00 0.00 O ATOM 1781 CG2 THR A 117 21.864 -12.437 -13.803 1.00 0.00 C ATOM 0 H THR A 117 20.155 -10.885 -11.932 1.00 0.00 H new ATOM 0 HA THR A 117 19.332 -12.874 -13.750 1.00 0.00 H new ATOM 0 HB THR A 117 21.168 -14.205 -12.703 1.00 0.00 H new ATOM 0 HG1 THR A 117 22.673 -13.064 -11.422 1.00 0.00 H new ATOM 0 HG21 THR A 117 22.919 -12.710 -13.769 1.00 0.00 H new ATOM 0 HG22 THR A 117 21.435 -12.762 -14.751 1.00 0.00 H new ATOM 0 HG23 THR A 117 21.767 -11.355 -13.713 1.00 0.00 H new ATOM 1789 N ASP A 118 18.818 -14.853 -11.862 1.00 0.00 N ATOM 1790 CA ASP A 118 18.186 -15.662 -10.865 1.00 0.00 C ATOM 1791 C ASP A 118 18.896 -15.661 -9.555 1.00 0.00 C ATOM 1792 O ASP A 118 18.273 -15.859 -8.514 1.00 0.00 O ATOM 1793 CB ASP A 118 17.953 -17.065 -11.449 1.00 0.00 C ATOM 1794 CG ASP A 118 16.577 -17.342 -12.036 1.00 0.00 C ATOM 1795 OD1 ASP A 118 15.546 -17.578 -11.350 1.00 0.00 O ATOM 1796 OD2 ASP A 118 16.629 -17.410 -13.293 1.00 0.00 O ATOM 0 H ASP A 118 19.111 -15.362 -12.696 1.00 0.00 H new ATOM 0 HA ASP A 118 17.219 -15.225 -10.616 1.00 0.00 H new ATOM 0 HB2 ASP A 118 18.696 -17.237 -12.228 1.00 0.00 H new ATOM 0 HB3 ASP A 118 18.141 -17.796 -10.663 1.00 0.00 H new ATOM 1801 N GLU A 119 20.196 -15.320 -9.501 1.00 0.00 N ATOM 1802 CA GLU A 119 21.029 -15.186 -8.346 1.00 0.00 C ATOM 1803 C GLU A 119 20.908 -13.818 -7.767 1.00 0.00 C ATOM 1804 O GLU A 119 21.015 -13.578 -6.565 1.00 0.00 O ATOM 1805 CB GLU A 119 22.449 -15.698 -8.638 1.00 0.00 C ATOM 1806 CG GLU A 119 22.435 -17.110 -9.229 1.00 0.00 C ATOM 1807 CD GLU A 119 23.834 -17.678 -9.425 1.00 0.00 C ATOM 1808 OE1 GLU A 119 24.676 -17.077 -10.144 1.00 0.00 O ATOM 1809 OE2 GLU A 119 24.064 -18.692 -8.714 1.00 0.00 O ATOM 0 H GLU A 119 20.714 -15.118 -10.356 1.00 0.00 H new ATOM 0 HA GLU A 119 20.685 -15.835 -7.541 1.00 0.00 H new ATOM 0 HB2 GLU A 119 22.945 -15.019 -9.332 1.00 0.00 H new ATOM 0 HB3 GLU A 119 23.033 -15.695 -7.717 1.00 0.00 H new ATOM 0 HG2 GLU A 119 21.868 -17.769 -8.571 1.00 0.00 H new ATOM 0 HG3 GLU A 119 21.916 -17.093 -10.188 1.00 0.00 H new ATOM 1816 N GLU A 120 20.660 -12.797 -8.606 1.00 0.00 N ATOM 1817 CA GLU A 120 20.285 -11.507 -8.117 1.00 0.00 C ATOM 1818 C GLU A 120 18.930 -11.478 -7.497 1.00 0.00 C ATOM 1819 O GLU A 120 18.704 -10.727 -6.550 1.00 0.00 O ATOM 1820 CB GLU A 120 20.438 -10.428 -9.202 1.00 0.00 C ATOM 1821 CG GLU A 120 20.565 -9.106 -8.442 1.00 0.00 C ATOM 1822 CD GLU A 120 20.877 -7.941 -9.370 1.00 0.00 C ATOM 1823 OE1 GLU A 120 21.819 -8.109 -10.189 1.00 0.00 O ATOM 1824 OE2 GLU A 120 20.133 -6.925 -9.337 1.00 0.00 O ATOM 0 H GLU A 120 20.719 -12.864 -9.622 1.00 0.00 H new ATOM 0 HA GLU A 120 20.983 -11.276 -7.312 1.00 0.00 H new ATOM 0 HB2 GLU A 120 21.317 -10.613 -9.819 1.00 0.00 H new ATOM 0 HB3 GLU A 120 19.576 -10.417 -9.870 1.00 0.00 H new ATOM 0 HG2 GLU A 120 19.637 -8.905 -7.908 1.00 0.00 H new ATOM 0 HG3 GLU A 120 21.352 -9.193 -7.693 1.00 0.00 H new ATOM 1831 N VAL A 121 18.024 -12.318 -8.029 1.00 0.00 N ATOM 1832 CA VAL A 121 16.764 -12.661 -7.446 1.00 0.00 C ATOM 1833 C VAL A 121 16.853 -13.138 -6.037 1.00 0.00 C ATOM 1834 O VAL A 121 16.192 -12.605 -5.147 1.00 0.00 O ATOM 1835 CB VAL A 121 15.870 -13.528 -8.283 1.00 0.00 C ATOM 1836 CG1 VAL A 121 14.898 -14.474 -7.557 1.00 0.00 C ATOM 1837 CG2 VAL A 121 15.147 -12.662 -9.328 1.00 0.00 C ATOM 0 H VAL A 121 18.182 -12.786 -8.921 1.00 0.00 H new ATOM 0 HA VAL A 121 16.258 -11.696 -7.417 1.00 0.00 H new ATOM 0 HB VAL A 121 16.551 -14.236 -8.754 1.00 0.00 H new ATOM 0 HG11 VAL A 121 14.319 -15.035 -8.291 1.00 0.00 H new ATOM 0 HG12 VAL A 121 15.463 -15.167 -6.934 1.00 0.00 H new ATOM 0 HG13 VAL A 121 14.222 -13.891 -6.931 1.00 0.00 H new ATOM 0 HG21 VAL A 121 14.498 -13.292 -9.936 1.00 0.00 H new ATOM 0 HG22 VAL A 121 14.548 -11.905 -8.822 1.00 0.00 H new ATOM 0 HG23 VAL A 121 15.882 -12.174 -9.968 1.00 0.00 H new ATOM 1847 N ASP A 122 17.785 -14.043 -5.689 1.00 0.00 N ATOM 1848 CA ASP A 122 17.986 -14.488 -4.345 1.00 0.00 C ATOM 1849 C ASP A 122 18.510 -13.401 -3.471 1.00 0.00 C ATOM 1850 O ASP A 122 18.027 -13.295 -2.345 1.00 0.00 O ATOM 1851 CB ASP A 122 19.006 -15.639 -4.295 1.00 0.00 C ATOM 1852 CG ASP A 122 18.436 -16.981 -4.730 1.00 0.00 C ATOM 1853 OD1 ASP A 122 17.312 -17.294 -4.255 1.00 0.00 O ATOM 1854 OD2 ASP A 122 19.199 -17.632 -5.493 1.00 0.00 O ATOM 0 H ASP A 122 18.417 -14.478 -6.362 1.00 0.00 H new ATOM 0 HA ASP A 122 17.010 -14.815 -3.987 1.00 0.00 H new ATOM 0 HB2 ASP A 122 19.853 -15.390 -4.934 1.00 0.00 H new ATOM 0 HB3 ASP A 122 19.389 -15.729 -3.279 1.00 0.00 H new ATOM 1859 N GLU A 123 19.461 -12.656 -4.063 1.00 0.00 N ATOM 1860 CA GLU A 123 20.017 -11.436 -3.566 1.00 0.00 C ATOM 1861 C GLU A 123 19.054 -10.372 -3.166 1.00 0.00 C ATOM 1862 O GLU A 123 19.031 -9.829 -2.063 1.00 0.00 O ATOM 1863 CB GLU A 123 21.121 -10.827 -4.448 1.00 0.00 C ATOM 1864 CG GLU A 123 22.153 -10.066 -3.612 1.00 0.00 C ATOM 1865 CD GLU A 123 23.236 -9.529 -4.538 1.00 0.00 C ATOM 1866 OE1 GLU A 123 24.022 -10.286 -5.167 1.00 0.00 O ATOM 1867 OE2 GLU A 123 23.412 -8.285 -4.437 1.00 0.00 O ATOM 0 H GLU A 123 19.871 -12.929 -4.956 1.00 0.00 H new ATOM 0 HA GLU A 123 20.467 -11.800 -2.642 1.00 0.00 H new ATOM 0 HB2 GLU A 123 21.618 -11.619 -5.009 1.00 0.00 H new ATOM 0 HB3 GLU A 123 20.674 -10.152 -5.178 1.00 0.00 H new ATOM 0 HG2 GLU A 123 21.674 -9.246 -3.076 1.00 0.00 H new ATOM 0 HG3 GLU A 123 22.591 -10.725 -2.862 1.00 0.00 H new ATOM 1874 N MET A 124 18.046 -10.080 -4.007 1.00 0.00 N ATOM 1875 CA MET A 124 16.883 -9.277 -3.787 1.00 0.00 C ATOM 1876 C MET A 124 15.975 -9.789 -2.723 1.00 0.00 C ATOM 1877 O MET A 124 15.641 -8.991 -1.848 1.00 0.00 O ATOM 1878 CB MET A 124 16.171 -9.133 -5.143 1.00 0.00 C ATOM 1879 CG MET A 124 14.840 -8.381 -5.090 1.00 0.00 C ATOM 1880 SD MET A 124 13.893 -8.674 -6.614 1.00 0.00 S ATOM 1881 CE MET A 124 13.239 -10.335 -6.280 1.00 0.00 C ATOM 0 H MET A 124 18.051 -10.454 -4.956 1.00 0.00 H new ATOM 0 HA MET A 124 17.193 -8.305 -3.403 1.00 0.00 H new ATOM 0 HB2 MET A 124 16.837 -8.617 -5.835 1.00 0.00 H new ATOM 0 HB3 MET A 124 15.995 -10.128 -5.553 1.00 0.00 H new ATOM 0 HG2 MET A 124 14.263 -8.709 -4.226 1.00 0.00 H new ATOM 0 HG3 MET A 124 15.022 -7.313 -4.965 1.00 0.00 H new ATOM 0 HE1 MET A 124 12.617 -10.656 -7.116 1.00 0.00 H new ATOM 0 HE2 MET A 124 14.066 -11.033 -6.154 1.00 0.00 H new ATOM 0 HE3 MET A 124 12.640 -10.314 -5.370 1.00 0.00 H new ATOM 1891 N ILE A 125 15.580 -11.074 -2.755 1.00 0.00 N ATOM 1892 CA ILE A 125 14.777 -11.790 -1.813 1.00 0.00 C ATOM 1893 C ILE A 125 15.343 -11.727 -0.436 1.00 0.00 C ATOM 1894 O ILE A 125 14.674 -11.646 0.593 1.00 0.00 O ATOM 1895 CB ILE A 125 14.373 -13.175 -2.223 1.00 0.00 C ATOM 1896 CG1 ILE A 125 13.471 -13.120 -3.468 1.00 0.00 C ATOM 1897 CG2 ILE A 125 13.790 -13.913 -1.007 1.00 0.00 C ATOM 1898 CD1 ILE A 125 13.474 -14.431 -4.253 1.00 0.00 C ATOM 0 H ILE A 125 15.857 -11.676 -3.530 1.00 0.00 H new ATOM 0 HA ILE A 125 13.829 -11.253 -1.802 1.00 0.00 H new ATOM 0 HB ILE A 125 15.233 -13.767 -2.538 1.00 0.00 H new ATOM 0 HG12 ILE A 125 12.451 -12.885 -3.163 1.00 0.00 H new ATOM 0 HG13 ILE A 125 13.804 -12.311 -4.118 1.00 0.00 H new ATOM 0 HG21 ILE A 125 13.495 -14.920 -1.300 1.00 0.00 H new ATOM 0 HG22 ILE A 125 14.543 -13.970 -0.221 1.00 0.00 H new ATOM 0 HG23 ILE A 125 12.919 -13.373 -0.637 1.00 0.00 H new ATOM 0 HD11 ILE A 125 12.821 -14.337 -5.121 1.00 0.00 H new ATOM 0 HD12 ILE A 125 14.488 -14.655 -4.584 1.00 0.00 H new ATOM 0 HD13 ILE A 125 13.115 -15.238 -3.615 1.00 0.00 H new ATOM 1910 N ARG A 126 16.685 -11.686 -0.360 1.00 0.00 N ATOM 1911 CA ARG A 126 17.439 -11.516 0.843 1.00 0.00 C ATOM 1912 C ARG A 126 17.090 -10.292 1.618 1.00 0.00 C ATOM 1913 O ARG A 126 16.544 -10.264 2.719 1.00 0.00 O ATOM 1914 CB ARG A 126 18.966 -11.558 0.660 1.00 0.00 C ATOM 1915 CG ARG A 126 19.667 -12.078 1.917 1.00 0.00 C ATOM 1916 CD ARG A 126 21.182 -11.895 1.811 1.00 0.00 C ATOM 1917 NE ARG A 126 21.500 -10.444 1.695 1.00 0.00 N ATOM 1918 CZ ARG A 126 22.419 -9.958 0.811 1.00 0.00 C ATOM 1919 NH1 ARG A 126 23.044 -10.786 -0.077 1.00 0.00 N ATOM 1920 NH2 ARG A 126 22.662 -8.615 0.790 1.00 0.00 N ATOM 0 H ARG A 126 17.277 -11.777 -1.186 1.00 0.00 H new ATOM 0 HA ARG A 126 17.139 -12.394 1.415 1.00 0.00 H new ATOM 0 HB2 ARG A 126 19.215 -12.197 -0.187 1.00 0.00 H new ATOM 0 HB3 ARG A 126 19.333 -10.559 0.424 1.00 0.00 H new ATOM 0 HG2 ARG A 126 19.293 -11.548 2.793 1.00 0.00 H new ATOM 0 HG3 ARG A 126 19.433 -13.133 2.059 1.00 0.00 H new ATOM 0 HD2 ARG A 126 21.672 -12.317 2.688 1.00 0.00 H new ATOM 0 HD3 ARG A 126 21.564 -12.433 0.943 1.00 0.00 H new ATOM 0 HE ARG A 126 21.010 -9.786 2.302 1.00 0.00 H new ATOM 0 HH11 ARG A 126 22.826 -11.782 -0.086 1.00 0.00 H new ATOM 0 HH12 ARG A 126 23.729 -10.408 -0.732 1.00 0.00 H new ATOM 0 HH21 ARG A 126 22.161 -7.996 1.427 1.00 0.00 H new ATOM 0 HH22 ARG A 126 23.345 -8.230 0.137 1.00 0.00 H new ATOM 1934 N GLU A 127 17.266 -9.183 0.878 1.00 0.00 N ATOM 1935 CA GLU A 127 16.980 -7.873 1.375 1.00 0.00 C ATOM 1936 C GLU A 127 15.529 -7.548 1.480 1.00 0.00 C ATOM 1937 O GLU A 127 15.123 -6.777 2.347 1.00 0.00 O ATOM 1938 CB GLU A 127 17.829 -6.771 0.719 1.00 0.00 C ATOM 1939 CG GLU A 127 19.296 -7.144 0.498 1.00 0.00 C ATOM 1940 CD GLU A 127 20.030 -7.109 1.831 1.00 0.00 C ATOM 1941 OE1 GLU A 127 20.168 -5.986 2.384 1.00 0.00 O ATOM 1942 OE2 GLU A 127 20.570 -8.090 2.409 1.00 0.00 O ATOM 0 H GLU A 127 17.613 -9.196 -0.081 1.00 0.00 H new ATOM 0 HA GLU A 127 17.307 -7.900 2.414 1.00 0.00 H new ATOM 0 HB2 GLU A 127 17.385 -6.512 -0.242 1.00 0.00 H new ATOM 0 HB3 GLU A 127 17.785 -5.877 1.342 1.00 0.00 H new ATOM 0 HG2 GLU A 127 19.368 -8.138 0.056 1.00 0.00 H new ATOM 0 HG3 GLU A 127 19.758 -6.449 -0.203 1.00 0.00 H new ATOM 1949 N ALA A 128 14.650 -7.969 0.554 1.00 0.00 N ATOM 1950 CA ALA A 128 13.431 -7.350 0.135 1.00 0.00 C ATOM 1951 C ALA A 128 12.238 -8.241 0.078 1.00 0.00 C ATOM 1952 O ALA A 128 11.411 -8.255 -0.833 1.00 0.00 O ATOM 1953 CB ALA A 128 13.659 -6.599 -1.188 1.00 0.00 C ATOM 0 H ALA A 128 14.814 -8.838 0.045 1.00 0.00 H new ATOM 0 HA ALA A 128 13.170 -6.643 0.923 1.00 0.00 H new ATOM 0 HB1 ALA A 128 12.728 -6.129 -1.504 1.00 0.00 H new ATOM 0 HB2 ALA A 128 14.422 -5.834 -1.045 1.00 0.00 H new ATOM 0 HB3 ALA A 128 13.989 -7.302 -1.953 1.00 0.00 H new ATOM 1959 N ASP A 129 12.071 -9.085 1.112 1.00 0.00 N ATOM 1960 CA ASP A 129 10.894 -9.882 1.263 1.00 0.00 C ATOM 1961 C ASP A 129 10.697 -9.938 2.739 1.00 0.00 C ATOM 1962 O ASP A 129 11.441 -10.370 3.619 1.00 0.00 O ATOM 1963 CB ASP A 129 11.092 -11.269 0.629 1.00 0.00 C ATOM 1964 CG ASP A 129 9.712 -11.827 0.311 1.00 0.00 C ATOM 1965 OD1 ASP A 129 8.919 -12.079 1.257 1.00 0.00 O ATOM 1966 OD2 ASP A 129 9.344 -12.057 -0.872 1.00 0.00 O ATOM 0 H ASP A 129 12.761 -9.216 1.852 1.00 0.00 H new ATOM 0 HA ASP A 129 10.018 -9.474 0.758 1.00 0.00 H new ATOM 0 HB2 ASP A 129 11.694 -11.194 -0.277 1.00 0.00 H new ATOM 0 HB3 ASP A 129 11.625 -11.930 1.312 1.00 0.00 H new ATOM 1971 N ILE A 130 9.525 -9.396 3.114 1.00 0.00 N ATOM 1972 CA ILE A 130 9.094 -9.368 4.478 1.00 0.00 C ATOM 1973 C ILE A 130 8.825 -10.730 5.019 1.00 0.00 C ATOM 1974 O ILE A 130 9.183 -11.127 6.127 1.00 0.00 O ATOM 1975 CB ILE A 130 8.033 -8.346 4.759 1.00 0.00 C ATOM 1976 CG1 ILE A 130 8.609 -6.922 4.694 1.00 0.00 C ATOM 1977 CG2 ILE A 130 7.311 -8.531 6.105 1.00 0.00 C ATOM 1978 CD1 ILE A 130 9.519 -6.456 5.829 1.00 0.00 C ATOM 0 H ILE A 130 8.866 -8.971 2.461 1.00 0.00 H new ATOM 0 HA ILE A 130 9.941 -9.004 5.060 1.00 0.00 H new ATOM 0 HB ILE A 130 7.290 -8.497 3.976 1.00 0.00 H new ATOM 0 HG12 ILE A 130 9.167 -6.831 3.762 1.00 0.00 H new ATOM 0 HG13 ILE A 130 7.771 -6.227 4.633 1.00 0.00 H new ATOM 0 HG21 ILE A 130 6.561 -7.749 6.226 1.00 0.00 H new ATOM 0 HG22 ILE A 130 6.825 -9.507 6.126 1.00 0.00 H new ATOM 0 HG23 ILE A 130 8.035 -8.468 6.918 1.00 0.00 H new ATOM 0 HD11 ILE A 130 9.843 -5.433 5.639 1.00 0.00 H new ATOM 0 HD12 ILE A 130 8.973 -6.494 6.772 1.00 0.00 H new ATOM 0 HD13 ILE A 130 10.391 -7.108 5.887 1.00 0.00 H new ATOM 1990 N ASP A 131 8.174 -11.586 4.212 1.00 0.00 N ATOM 1991 CA ASP A 131 7.788 -12.949 4.404 1.00 0.00 C ATOM 1992 C ASP A 131 8.920 -13.908 4.264 1.00 0.00 C ATOM 1993 O ASP A 131 9.148 -14.787 5.094 1.00 0.00 O ATOM 1994 CB ASP A 131 6.648 -13.384 3.468 1.00 0.00 C ATOM 1995 CG ASP A 131 5.702 -12.215 3.233 1.00 0.00 C ATOM 1996 OD1 ASP A 131 6.012 -11.500 2.243 1.00 0.00 O ATOM 1997 OD2 ASP A 131 4.692 -12.075 3.974 1.00 0.00 O ATOM 0 H ASP A 131 7.877 -11.268 3.289 1.00 0.00 H new ATOM 0 HA ASP A 131 7.433 -12.982 5.434 1.00 0.00 H new ATOM 0 HB2 ASP A 131 7.056 -13.730 2.519 1.00 0.00 H new ATOM 0 HB3 ASP A 131 6.105 -14.221 3.906 1.00 0.00 H new ATOM 2002 N GLY A 132 9.773 -13.779 3.233 1.00 0.00 N ATOM 2003 CA GLY A 132 10.873 -14.622 2.879 1.00 0.00 C ATOM 2004 C GLY A 132 10.453 -15.753 2.005 1.00 0.00 C ATOM 2005 O GLY A 132 11.226 -16.705 1.916 1.00 0.00 O ATOM 0 H GLY A 132 9.680 -13.001 2.580 1.00 0.00 H new ATOM 0 HA2 GLY A 132 11.632 -14.031 2.367 1.00 0.00 H new ATOM 0 HA3 GLY A 132 11.334 -15.016 3.785 1.00 0.00 H new ATOM 2009 N ASP A 133 9.240 -15.649 1.433 1.00 0.00 N ATOM 2010 CA ASP A 133 8.720 -16.654 0.558 1.00 0.00 C ATOM 2011 C ASP A 133 9.183 -16.545 -0.855 1.00 0.00 C ATOM 2012 O ASP A 133 9.489 -17.522 -1.536 1.00 0.00 O ATOM 2013 CB ASP A 133 7.188 -16.625 0.691 1.00 0.00 C ATOM 2014 CG ASP A 133 6.563 -15.266 0.407 1.00 0.00 C ATOM 2015 OD1 ASP A 133 7.104 -14.214 -0.026 1.00 0.00 O ATOM 2016 OD2 ASP A 133 5.317 -15.241 0.594 1.00 0.00 O ATOM 0 H ASP A 133 8.612 -14.858 1.579 1.00 0.00 H new ATOM 0 HA ASP A 133 9.113 -17.624 0.863 1.00 0.00 H new ATOM 0 HB2 ASP A 133 6.761 -17.359 0.007 1.00 0.00 H new ATOM 0 HB3 ASP A 133 6.916 -16.934 1.700 1.00 0.00 H new ATOM 2021 N GLY A 134 9.298 -15.293 -1.333 1.00 0.00 N ATOM 2022 CA GLY A 134 9.897 -14.940 -2.583 1.00 0.00 C ATOM 2023 C GLY A 134 8.966 -14.228 -3.502 1.00 0.00 C ATOM 2024 O GLY A 134 9.420 -13.470 -4.357 1.00 0.00 O ATOM 0 H GLY A 134 8.954 -14.482 -0.818 1.00 0.00 H new ATOM 0 HA2 GLY A 134 10.766 -14.309 -2.396 1.00 0.00 H new ATOM 0 HA3 GLY A 134 10.259 -15.844 -3.073 1.00 0.00 H new ATOM 2028 N GLN A 135 7.638 -14.429 -3.418 1.00 0.00 N ATOM 2029 CA GLN A 135 6.719 -13.738 -4.268 1.00 0.00 C ATOM 2030 C GLN A 135 6.345 -12.397 -3.738 1.00 0.00 C ATOM 2031 O GLN A 135 6.486 -12.155 -2.540 1.00 0.00 O ATOM 2032 CB GLN A 135 5.468 -14.577 -4.577 1.00 0.00 C ATOM 2033 CG GLN A 135 4.607 -15.071 -3.413 1.00 0.00 C ATOM 2034 CD GLN A 135 3.333 -15.727 -3.928 1.00 0.00 C ATOM 2035 OE1 GLN A 135 3.078 -15.764 -5.130 1.00 0.00 O ATOM 2036 NE2 GLN A 135 2.408 -16.044 -2.983 1.00 0.00 N ATOM 0 H GLN A 135 7.200 -15.072 -2.759 1.00 0.00 H new ATOM 0 HA GLN A 135 7.248 -13.577 -5.207 1.00 0.00 H new ATOM 0 HB2 GLN A 135 4.829 -13.987 -5.234 1.00 0.00 H new ATOM 0 HB3 GLN A 135 5.788 -15.451 -5.145 1.00 0.00 H new ATOM 0 HG2 GLN A 135 5.172 -15.784 -2.813 1.00 0.00 H new ATOM 0 HG3 GLN A 135 4.354 -14.235 -2.761 1.00 0.00 H new ATOM 0 HE21 GLN A 135 2.654 -16.002 -1.994 1.00 0.00 H new ATOM 0 HE22 GLN A 135 1.468 -16.323 -3.263 1.00 0.00 H new ATOM 2045 N VAL A 136 6.003 -11.433 -4.612 1.00 0.00 N ATOM 2046 CA VAL A 136 5.847 -10.051 -4.280 1.00 0.00 C ATOM 2047 C VAL A 136 4.384 -9.778 -4.342 1.00 0.00 C ATOM 2048 O VAL A 136 3.777 -10.082 -5.367 1.00 0.00 O ATOM 2049 CB VAL A 136 6.539 -9.129 -5.240 1.00 0.00 C ATOM 2050 CG1 VAL A 136 5.817 -7.842 -5.674 1.00 0.00 C ATOM 2051 CG2 VAL A 136 7.907 -8.775 -4.633 1.00 0.00 C ATOM 0 H VAL A 136 5.827 -11.627 -5.598 1.00 0.00 H new ATOM 0 HA VAL A 136 6.289 -9.870 -3.300 1.00 0.00 H new ATOM 0 HB VAL A 136 6.590 -9.690 -6.173 1.00 0.00 H new ATOM 0 HG11 VAL A 136 6.449 -7.287 -6.367 1.00 0.00 H new ATOM 0 HG12 VAL A 136 4.878 -8.099 -6.165 1.00 0.00 H new ATOM 0 HG13 VAL A 136 5.612 -7.227 -4.798 1.00 0.00 H new ATOM 0 HG21 VAL A 136 8.441 -8.104 -5.306 1.00 0.00 H new ATOM 0 HG22 VAL A 136 7.762 -8.285 -3.670 1.00 0.00 H new ATOM 0 HG23 VAL A 136 8.489 -9.686 -4.492 1.00 0.00 H new ATOM 2061 N ASN A 137 3.762 -9.238 -3.278 1.00 0.00 N ATOM 2062 CA ASN A 137 2.441 -8.691 -3.290 1.00 0.00 C ATOM 2063 C ASN A 137 2.384 -7.210 -3.436 1.00 0.00 C ATOM 2064 O ASN A 137 3.410 -6.537 -3.522 1.00 0.00 O ATOM 2065 CB ASN A 137 1.658 -9.107 -2.033 1.00 0.00 C ATOM 2066 CG ASN A 137 2.115 -8.609 -0.669 1.00 0.00 C ATOM 2067 OD1 ASN A 137 2.043 -7.443 -0.285 1.00 0.00 O ATOM 2068 ND2 ASN A 137 2.733 -9.416 0.234 1.00 0.00 N ATOM 0 H ASN A 137 4.205 -9.180 -2.361 1.00 0.00 H new ATOM 0 HA ASN A 137 1.978 -9.110 -4.183 1.00 0.00 H new ATOM 0 HB2 ASN A 137 0.625 -8.785 -2.169 1.00 0.00 H new ATOM 0 HB3 ASN A 137 1.651 -10.196 -1.998 1.00 0.00 H new ATOM 0 HD21 ASN A 137 3.075 -9.029 1.114 1.00 0.00 H new ATOM 0 HD22 ASN A 137 2.855 -10.408 0.032 1.00 0.00 H new ATOM 2075 N TYR A 138 1.178 -6.617 -3.500 1.00 0.00 N ATOM 2076 CA TYR A 138 1.005 -5.211 -3.698 1.00 0.00 C ATOM 2077 C TYR A 138 1.642 -4.323 -2.686 1.00 0.00 C ATOM 2078 O TYR A 138 2.337 -3.348 -2.968 1.00 0.00 O ATOM 2079 CB TYR A 138 -0.489 -4.939 -3.943 1.00 0.00 C ATOM 2080 CG TYR A 138 -0.864 -3.510 -4.139 1.00 0.00 C ATOM 2081 CD1 TYR A 138 -0.352 -2.859 -5.236 1.00 0.00 C ATOM 2082 CD2 TYR A 138 -1.481 -2.866 -3.093 1.00 0.00 C ATOM 2083 CE1 TYR A 138 -0.350 -1.486 -5.164 1.00 0.00 C ATOM 2084 CE2 TYR A 138 -1.726 -1.515 -3.167 1.00 0.00 C ATOM 2085 CZ TYR A 138 -1.038 -0.852 -4.156 1.00 0.00 C ATOM 2086 OH TYR A 138 -1.201 0.547 -4.064 1.00 0.00 O ATOM 0 H TYR A 138 0.300 -7.129 -3.412 1.00 0.00 H new ATOM 0 HA TYR A 138 1.574 -4.929 -4.584 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -0.802 -5.501 -4.823 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -1.054 -5.331 -3.097 1.00 0.00 H new ATOM 0 HD1 TYR A 138 0.024 -3.391 -6.098 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -1.773 -3.421 -2.214 1.00 0.00 H new ATOM 0 HE1 TYR A 138 0.191 -0.907 -5.898 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -2.408 -1.012 -2.498 1.00 0.00 H new ATOM 0 HH TYR A 138 -1.726 0.763 -3.265 1.00 0.00 H new ATOM 2096 N GLU A 139 1.562 -4.684 -1.393 1.00 0.00 N ATOM 2097 CA GLU A 139 2.150 -4.014 -0.275 1.00 0.00 C ATOM 2098 C GLU A 139 3.639 -3.963 -0.265 1.00 0.00 C ATOM 2099 O GLU A 139 4.259 -2.929 -0.020 1.00 0.00 O ATOM 2100 CB GLU A 139 1.558 -4.541 1.043 1.00 0.00 C ATOM 2101 CG GLU A 139 1.481 -3.415 2.076 1.00 0.00 C ATOM 2102 CD GLU A 139 0.719 -3.817 3.331 1.00 0.00 C ATOM 2103 OE1 GLU A 139 -0.520 -3.991 3.185 1.00 0.00 O ATOM 2104 OE2 GLU A 139 1.329 -4.018 4.415 1.00 0.00 O ATOM 0 H GLU A 139 1.042 -5.514 -1.108 1.00 0.00 H new ATOM 0 HA GLU A 139 1.876 -2.965 -0.385 1.00 0.00 H new ATOM 0 HB2 GLU A 139 0.563 -4.950 0.865 1.00 0.00 H new ATOM 0 HB3 GLU A 139 2.173 -5.355 1.427 1.00 0.00 H new ATOM 0 HG2 GLU A 139 2.491 -3.111 2.351 1.00 0.00 H new ATOM 0 HG3 GLU A 139 0.999 -2.547 1.626 1.00 0.00 H new ATOM 2111 N GLU A 140 4.191 -5.128 -0.649 1.00 0.00 N ATOM 2112 CA GLU A 140 5.585 -5.141 -0.966 1.00 0.00 C ATOM 2113 C GLU A 140 6.017 -4.271 -2.096 1.00 0.00 C ATOM 2114 O GLU A 140 7.025 -3.621 -1.827 1.00 0.00 O ATOM 2115 CB GLU A 140 6.123 -6.556 -1.238 1.00 0.00 C ATOM 2116 CG GLU A 140 5.914 -7.431 0.000 1.00 0.00 C ATOM 2117 CD GLU A 140 6.326 -8.868 -0.287 1.00 0.00 C ATOM 2118 OE1 GLU A 140 5.681 -9.699 -0.980 1.00 0.00 O ATOM 2119 OE2 GLU A 140 7.427 -9.212 0.222 1.00 0.00 O ATOM 0 H GLU A 140 3.702 -6.019 -0.737 1.00 0.00 H new ATOM 0 HA GLU A 140 6.013 -4.723 -0.055 1.00 0.00 H new ATOM 0 HB2 GLU A 140 5.610 -6.992 -2.095 1.00 0.00 H new ATOM 0 HB3 GLU A 140 7.183 -6.511 -1.489 1.00 0.00 H new ATOM 0 HG2 GLU A 140 6.498 -7.039 0.833 1.00 0.00 H new ATOM 0 HG3 GLU A 140 4.867 -7.400 0.302 1.00 0.00 H new ATOM 2126 N PHE A 141 5.306 -4.298 -3.238 1.00 0.00 N ATOM 2127 CA PHE A 141 5.645 -3.493 -4.370 1.00 0.00 C ATOM 2128 C PHE A 141 5.484 -2.022 -4.195 1.00 0.00 C ATOM 2129 O PHE A 141 6.198 -1.236 -4.815 1.00 0.00 O ATOM 2130 CB PHE A 141 4.882 -4.036 -5.590 1.00 0.00 C ATOM 2131 CG PHE A 141 5.159 -3.375 -6.897 1.00 0.00 C ATOM 2132 CD1 PHE A 141 6.067 -3.869 -7.803 1.00 0.00 C ATOM 2133 CD2 PHE A 141 4.237 -2.461 -7.349 1.00 0.00 C ATOM 2134 CE1 PHE A 141 6.288 -3.268 -9.020 1.00 0.00 C ATOM 2135 CE2 PHE A 141 4.400 -1.772 -8.528 1.00 0.00 C ATOM 2136 CZ PHE A 141 5.421 -2.244 -9.320 1.00 0.00 C ATOM 0 H PHE A 141 4.485 -4.887 -3.377 1.00 0.00 H new ATOM 0 HA PHE A 141 6.721 -3.584 -4.518 1.00 0.00 H new ATOM 0 HB2 PHE A 141 5.109 -5.097 -5.690 1.00 0.00 H new ATOM 0 HB3 PHE A 141 3.814 -3.957 -5.387 1.00 0.00 H new ATOM 0 HD1 PHE A 141 6.625 -4.758 -7.551 1.00 0.00 H new ATOM 0 HD2 PHE A 141 3.353 -2.277 -6.757 1.00 0.00 H new ATOM 0 HE1 PHE A 141 7.080 -3.576 -9.687 1.00 0.00 H new ATOM 0 HE2 PHE A 141 3.780 -0.933 -8.808 1.00 0.00 H new ATOM 0 HZ PHE A 141 5.555 -1.760 -10.276 1.00 0.00 H new ATOM 2146 N VAL A 142 4.528 -1.577 -3.360 1.00 0.00 N ATOM 2147 CA VAL A 142 4.415 -0.202 -2.981 1.00 0.00 C ATOM 2148 C VAL A 142 5.634 0.273 -2.268 1.00 0.00 C ATOM 2149 O VAL A 142 6.227 1.282 -2.645 1.00 0.00 O ATOM 2150 CB VAL A 142 3.248 0.081 -2.082 1.00 0.00 C ATOM 2151 CG1 VAL A 142 3.141 1.550 -1.639 1.00 0.00 C ATOM 2152 CG2 VAL A 142 1.926 -0.323 -2.755 1.00 0.00 C ATOM 0 H VAL A 142 3.822 -2.182 -2.941 1.00 0.00 H new ATOM 0 HA VAL A 142 4.277 0.325 -3.925 1.00 0.00 H new ATOM 0 HB VAL A 142 3.428 -0.519 -1.190 1.00 0.00 H new ATOM 0 HG11 VAL A 142 2.272 1.673 -0.992 1.00 0.00 H new ATOM 0 HG12 VAL A 142 4.042 1.832 -1.094 1.00 0.00 H new ATOM 0 HG13 VAL A 142 3.033 2.188 -2.516 1.00 0.00 H new ATOM 0 HG21 VAL A 142 1.095 -0.108 -2.083 1.00 0.00 H new ATOM 0 HG22 VAL A 142 1.801 0.241 -3.679 1.00 0.00 H new ATOM 0 HG23 VAL A 142 1.944 -1.389 -2.981 1.00 0.00 H new ATOM 2162 N GLN A 143 6.099 -0.426 -1.217 1.00 0.00 N ATOM 2163 CA GLN A 143 7.300 -0.257 -0.460 1.00 0.00 C ATOM 2164 C GLN A 143 8.483 -0.324 -1.363 1.00 0.00 C ATOM 2165 O GLN A 143 9.473 0.385 -1.186 1.00 0.00 O ATOM 2166 CB GLN A 143 7.379 -1.197 0.755 1.00 0.00 C ATOM 2167 CG GLN A 143 8.664 -1.139 1.584 1.00 0.00 C ATOM 2168 CD GLN A 143 8.901 0.249 2.161 1.00 0.00 C ATOM 2169 OE1 GLN A 143 8.024 0.943 2.674 1.00 0.00 O ATOM 2170 NE2 GLN A 143 10.229 0.537 2.222 1.00 0.00 N ATOM 0 H GLN A 143 5.558 -1.211 -0.855 1.00 0.00 H new ATOM 0 HA GLN A 143 7.293 0.738 -0.016 1.00 0.00 H new ATOM 0 HB2 GLN A 143 6.539 -0.975 1.413 1.00 0.00 H new ATOM 0 HB3 GLN A 143 7.246 -2.220 0.403 1.00 0.00 H new ATOM 0 HG2 GLN A 143 8.607 -1.865 2.395 1.00 0.00 H new ATOM 0 HG3 GLN A 143 9.512 -1.423 0.961 1.00 0.00 H new ATOM 0 HE21 GLN A 143 10.906 -0.081 1.775 1.00 0.00 H new ATOM 0 HE22 GLN A 143 10.548 1.371 2.715 1.00 0.00 H new ATOM 2179 N MET A 144 8.418 -1.132 -2.436 1.00 0.00 N ATOM 2180 CA MET A 144 9.588 -1.233 -3.252 1.00 0.00 C ATOM 2181 C MET A 144 9.720 -0.148 -4.264 1.00 0.00 C ATOM 2182 O MET A 144 10.789 0.229 -4.742 1.00 0.00 O ATOM 2183 CB MET A 144 9.489 -2.525 -4.080 1.00 0.00 C ATOM 2184 CG MET A 144 9.810 -3.829 -3.347 1.00 0.00 C ATOM 2185 SD MET A 144 9.087 -5.368 -3.991 1.00 0.00 S ATOM 2186 CE MET A 144 9.348 -5.086 -5.765 1.00 0.00 C ATOM 0 H MET A 144 7.611 -1.684 -2.727 1.00 0.00 H new ATOM 0 HA MET A 144 10.432 -1.189 -2.564 1.00 0.00 H new ATOM 0 HB2 MET A 144 8.478 -2.598 -4.480 1.00 0.00 H new ATOM 0 HB3 MET A 144 10.163 -2.437 -4.932 1.00 0.00 H new ATOM 0 HG2 MET A 144 10.893 -3.948 -3.335 1.00 0.00 H new ATOM 0 HG3 MET A 144 9.490 -3.717 -2.311 1.00 0.00 H new ATOM 0 HE1 MET A 144 9.095 -5.990 -6.318 1.00 0.00 H new ATOM 0 HE2 MET A 144 8.713 -4.266 -6.100 1.00 0.00 H new ATOM 0 HE3 MET A 144 10.393 -4.832 -5.943 1.00 0.00 H new ATOM 2196 N MET A 145 8.595 0.428 -4.724 1.00 0.00 N ATOM 2197 CA MET A 145 8.713 1.587 -5.553 1.00 0.00 C ATOM 2198 C MET A 145 8.786 2.889 -4.830 1.00 0.00 C ATOM 2199 O MET A 145 9.234 3.879 -5.406 1.00 0.00 O ATOM 2200 CB MET A 145 7.581 1.649 -6.592 1.00 0.00 C ATOM 2201 CG MET A 145 7.707 0.455 -7.541 1.00 0.00 C ATOM 2202 SD MET A 145 9.243 0.577 -8.505 1.00 0.00 S ATOM 2203 CE MET A 145 9.182 -1.176 -8.976 1.00 0.00 C ATOM 0 H MET A 145 7.645 0.110 -4.534 1.00 0.00 H new ATOM 0 HA MET A 145 9.679 1.458 -6.041 1.00 0.00 H new ATOM 0 HB2 MET A 145 6.612 1.633 -6.094 1.00 0.00 H new ATOM 0 HB3 MET A 145 7.636 2.582 -7.152 1.00 0.00 H new ATOM 0 HG2 MET A 145 7.700 -0.474 -6.971 1.00 0.00 H new ATOM 0 HG3 MET A 145 6.849 0.423 -8.213 1.00 0.00 H new ATOM 0 HE1 MET A 145 10.100 -1.445 -9.498 1.00 0.00 H new ATOM 0 HE2 MET A 145 9.080 -1.790 -8.081 1.00 0.00 H new ATOM 0 HE3 MET A 145 8.329 -1.347 -9.632 1.00 0.00 H new