USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=26 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 -113:sc=-0.00291 (180deg=-0.0626) USER MOD Set 1.2: A 144 MET CE :methyl 166:sc= 0 (180deg=-0.578) USER MOD Set 1.3: A 145 MET CE :methyl -165:sc= -0.0901 (180deg=-0.872) USER MOD Set 2.1: A 94 LYS NZ :NH3+ -104:sc= 0.0451 (180deg=0) USER MOD Set 2.2: A 107 HIS : no HD1:sc= 0.404 K(o=0.89,f=-0.016) USER MOD Set 2.3: A 111 ASN : amide:sc= 0.437 K(o=0.89,f=0.0023) USER MOD Set 3.1: A 97 ASN : amide:sc= 0.089 K(o=0.089,f=-0.93) USER MOD Set 3.2: A 135 GLN : amide:sc= 0 K(o=0.089,f=-0.93) USER MOD Set 4.1: A 5 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 8 GLN :FLIP amide:sc= 1.2 F(o=-0.3,f=1.2) 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 26 THR OG1 : rot 93:sc= 1.24 USER MOD Single : A 28 THR OG1 : rot -91:sc= 0.836 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0291 USER MOD Single : A 30 LYS NZ :NH3+ 172:sc= 1.2 (180deg=0.992) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 155:sc= 0 (180deg=-0.691) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.275 X(o=-0.28,f=-0.35) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot -61:sc= 0.441 USER MOD Single : A 49 GLN : amide:sc= 0.183 X(o=0.18,f=0) USER MOD Single : A 51 MET CE :methyl -169:sc= 0 (180deg=-0.0745) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 60 ASN : amide:sc= -0.578 K(o=-0.58,f=-2.4) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.428 USER MOD Single : A 70 THR OG1 : rot 74:sc= 0.372 USER MOD Single : A 71 MET CE :methyl 160:sc= -0.0178 (180deg=-0.693) USER MOD Single : A 72 MET CE :methyl 163:sc= -0.406 (180deg=-0.88) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.367 USER MOD Single : A 110 THR OG1 : rot 89:sc= 0.991 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.0274 USER MOD Single : A 124 MET CE :methyl -140:sc= -0.0828 (180deg=-0.687) USER MOD Single : A 137 ASN : amide:sc= 0.0547 K(o=0.055,f=-5.5!) USER MOD Single : A 138 TYR OH : rot 180:sc= -0.0341 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -12.253 16.044 0.371 1.00 0.00 N ATOM 59 CA THR A 5 -12.893 17.096 -0.355 1.00 0.00 C ATOM 60 C THR A 5 -14.170 16.555 -0.900 1.00 0.00 C ATOM 61 O THR A 5 -14.407 15.380 -1.177 1.00 0.00 O ATOM 62 CB THR A 5 -12.087 17.611 -1.510 1.00 0.00 C ATOM 63 OG1 THR A 5 -11.735 16.608 -2.452 1.00 0.00 O ATOM 64 CG2 THR A 5 -10.820 18.274 -0.943 1.00 0.00 C ATOM 0 HA THR A 5 -13.034 17.927 0.336 1.00 0.00 H new ATOM 0 HB THR A 5 -12.703 18.324 -2.058 1.00 0.00 H new ATOM 0 HG1 THR A 5 -11.213 17.010 -3.178 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.213 18.659 -1.762 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.103 19.095 -0.284 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.245 17.539 -0.380 1.00 0.00 H new ATOM 72 N GLU A 6 -15.111 17.489 -1.126 1.00 0.00 N ATOM 73 CA GLU A 6 -16.432 17.207 -1.594 1.00 0.00 C ATOM 74 C GLU A 6 -16.379 16.460 -2.882 1.00 0.00 C ATOM 75 O GLU A 6 -17.083 15.480 -3.118 1.00 0.00 O ATOM 76 CB GLU A 6 -17.206 18.509 -1.863 1.00 0.00 C ATOM 77 CG GLU A 6 -17.616 19.343 -0.647 1.00 0.00 C ATOM 78 CD GLU A 6 -18.946 20.077 -0.741 1.00 0.00 C ATOM 79 OE1 GLU A 6 -20.041 19.497 -0.516 1.00 0.00 O ATOM 80 OE2 GLU A 6 -18.843 21.318 -0.936 1.00 0.00 O ATOM 0 H GLU A 6 -14.943 18.484 -0.976 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.927 16.619 -0.822 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -16.596 19.136 -2.513 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.109 18.257 -2.419 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -17.651 18.685 0.221 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -16.834 20.078 -0.459 1.00 0.00 H new ATOM 87 N GLU A 7 -15.503 16.813 -3.840 1.00 0.00 N ATOM 88 CA GLU A 7 -15.292 16.168 -5.099 1.00 0.00 C ATOM 89 C GLU A 7 -14.784 14.775 -4.954 1.00 0.00 C ATOM 90 O GLU A 7 -14.982 13.933 -5.828 1.00 0.00 O ATOM 91 CB GLU A 7 -14.227 16.981 -5.854 1.00 0.00 C ATOM 92 CG GLU A 7 -14.428 18.475 -6.114 1.00 0.00 C ATOM 93 CD GLU A 7 -13.825 19.444 -5.106 1.00 0.00 C ATOM 94 OE1 GLU A 7 -14.331 19.364 -3.954 1.00 0.00 O ATOM 95 OE2 GLU A 7 -12.958 20.328 -5.339 1.00 0.00 O ATOM 0 H GLU A 7 -14.890 17.620 -3.721 1.00 0.00 H new ATOM 0 HA GLU A 7 -16.246 16.120 -5.623 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.292 16.873 -5.305 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.085 16.503 -6.823 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.013 18.706 -7.095 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -15.500 18.667 -6.168 1.00 0.00 H new ATOM 102 N GLN A 8 -14.121 14.360 -3.859 1.00 0.00 N ATOM 103 CA GLN A 8 -13.828 12.986 -3.595 1.00 0.00 C ATOM 104 C GLN A 8 -15.060 12.270 -3.161 1.00 0.00 C ATOM 105 O GLN A 8 -15.471 11.281 -3.765 1.00 0.00 O ATOM 106 CB GLN A 8 -12.695 12.825 -2.567 1.00 0.00 C ATOM 107 CG GLN A 8 -11.374 13.400 -3.082 1.00 0.00 C ATOM 108 CD GLN A 8 -10.320 13.719 -2.031 1.00 0.00 C ATOM 109 OE1 GLN A 8 -9.146 13.114 -2.355 1.00 0.00 O flip ATOM 110 NE2 GLN A 8 -10.448 14.348 -0.982 1.00 0.00 N flip ATOM 0 H GLN A 8 -13.780 14.997 -3.139 1.00 0.00 H new ATOM 0 HA GLN A 8 -13.474 12.536 -4.523 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.972 13.326 -1.639 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.565 11.769 -2.332 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.946 12.691 -3.791 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.592 14.313 -3.636 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -11.338 14.794 -0.760 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -9.664 14.424 -0.334 1.00 0.00 H new ATOM 119 N ILE A 9 -15.861 12.790 -2.214 1.00 0.00 N ATOM 120 CA ILE A 9 -17.033 12.182 -1.663 1.00 0.00 C ATOM 121 C ILE A 9 -18.193 12.053 -2.590 1.00 0.00 C ATOM 122 O ILE A 9 -18.936 11.074 -2.622 1.00 0.00 O ATOM 123 CB ILE A 9 -17.463 12.895 -0.416 1.00 0.00 C ATOM 124 CG1 ILE A 9 -16.299 13.251 0.524 1.00 0.00 C ATOM 125 CG2 ILE A 9 -18.500 12.051 0.344 1.00 0.00 C ATOM 126 CD1 ILE A 9 -16.802 14.100 1.691 1.00 0.00 C ATOM 0 H ILE A 9 -15.674 13.705 -1.803 1.00 0.00 H new ATOM 0 HA ILE A 9 -16.724 11.160 -1.443 1.00 0.00 H new ATOM 0 HB ILE A 9 -17.902 13.838 -0.742 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -15.835 12.340 0.901 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -15.531 13.795 -0.026 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -18.806 12.578 1.248 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -19.370 11.885 -0.291 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -18.060 11.091 0.615 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.968 14.345 2.349 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -17.244 15.020 1.308 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -17.553 13.542 2.250 1.00 0.00 H new ATOM 138 N ALA A 10 -18.284 13.026 -3.514 1.00 0.00 N ATOM 139 CA ALA A 10 -19.047 12.985 -4.723 1.00 0.00 C ATOM 140 C ALA A 10 -18.895 11.871 -5.702 1.00 0.00 C ATOM 141 O ALA A 10 -19.861 11.274 -6.175 1.00 0.00 O ATOM 142 CB ALA A 10 -18.835 14.278 -5.527 1.00 0.00 C ATOM 0 H ALA A 10 -17.785 13.909 -3.406 1.00 0.00 H new ATOM 0 HA ALA A 10 -20.037 12.828 -4.295 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -19.421 14.236 -6.445 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -19.155 15.133 -4.932 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -17.779 14.383 -5.775 1.00 0.00 H new ATOM 148 N GLU A 11 -17.646 11.564 -6.094 1.00 0.00 N ATOM 149 CA GLU A 11 -17.335 10.445 -6.928 1.00 0.00 C ATOM 150 C GLU A 11 -17.478 9.166 -6.176 1.00 0.00 C ATOM 151 O GLU A 11 -17.854 8.175 -6.800 1.00 0.00 O ATOM 152 CB GLU A 11 -15.872 10.506 -7.400 1.00 0.00 C ATOM 153 CG GLU A 11 -15.468 11.414 -8.563 1.00 0.00 C ATOM 154 CD GLU A 11 -14.128 11.067 -9.196 1.00 0.00 C ATOM 155 OE1 GLU A 11 -13.986 9.932 -9.723 1.00 0.00 O ATOM 156 OE2 GLU A 11 -13.192 11.912 -9.195 1.00 0.00 O ATOM 0 H GLU A 11 -16.828 12.110 -5.823 1.00 0.00 H new ATOM 0 HA GLU A 11 -18.024 10.484 -7.772 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -15.269 10.797 -6.540 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -15.578 9.491 -7.667 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -16.241 11.367 -9.330 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -15.433 12.444 -8.208 1.00 0.00 H new ATOM 163 N PHE A 12 -17.133 9.113 -4.877 1.00 0.00 N ATOM 164 CA PHE A 12 -17.369 7.979 -4.038 1.00 0.00 C ATOM 165 C PHE A 12 -18.816 7.633 -3.954 1.00 0.00 C ATOM 166 O PHE A 12 -19.149 6.449 -3.922 1.00 0.00 O ATOM 167 CB PHE A 12 -16.782 8.173 -2.630 1.00 0.00 C ATOM 168 CG PHE A 12 -15.301 8.335 -2.609 1.00 0.00 C ATOM 169 CD1 PHE A 12 -14.405 7.837 -3.526 1.00 0.00 C ATOM 170 CD2 PHE A 12 -14.829 9.010 -1.508 1.00 0.00 C ATOM 171 CE1 PHE A 12 -13.053 8.064 -3.430 1.00 0.00 C ATOM 172 CE2 PHE A 12 -13.480 9.255 -1.409 1.00 0.00 C ATOM 173 CZ PHE A 12 -12.595 8.780 -2.348 1.00 0.00 C ATOM 0 H PHE A 12 -16.674 9.886 -4.394 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.852 7.142 -4.508 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -17.240 9.051 -2.174 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -17.052 7.316 -2.013 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.777 7.247 -4.350 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -15.506 9.342 -0.735 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.371 7.692 -4.180 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -13.107 9.833 -0.576 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.538 8.969 -2.236 1.00 0.00 H new ATOM 183 N LYS A 13 -19.765 8.585 -3.923 1.00 0.00 N ATOM 184 CA LYS A 13 -21.168 8.309 -3.919 1.00 0.00 C ATOM 185 C LYS A 13 -21.649 7.811 -5.238 1.00 0.00 C ATOM 186 O LYS A 13 -22.515 6.941 -5.328 1.00 0.00 O ATOM 187 CB LYS A 13 -22.005 9.525 -3.486 1.00 0.00 C ATOM 188 CG LYS A 13 -23.527 9.371 -3.497 1.00 0.00 C ATOM 189 CD LYS A 13 -24.241 10.553 -2.837 1.00 0.00 C ATOM 190 CE LYS A 13 -24.219 10.451 -1.311 1.00 0.00 C ATOM 191 NZ LYS A 13 -25.030 11.540 -0.723 1.00 0.00 N ATOM 0 H LYS A 13 -19.548 9.581 -3.900 1.00 0.00 H new ATOM 0 HA LYS A 13 -21.307 7.519 -3.181 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -21.701 9.801 -2.476 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -21.746 10.361 -4.136 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -23.871 9.272 -4.526 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -23.800 8.451 -2.979 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -23.765 11.484 -3.146 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -25.274 10.593 -3.184 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -24.610 9.484 -0.997 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -23.193 10.513 -0.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -25.011 11.466 0.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -24.638 12.459 -1.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -26.011 11.462 -1.058 1.00 0.00 H new ATOM 205 N GLU A 14 -20.935 8.213 -6.304 1.00 0.00 N ATOM 206 CA GLU A 14 -21.087 7.633 -7.603 1.00 0.00 C ATOM 207 C GLU A 14 -20.659 6.206 -7.575 1.00 0.00 C ATOM 208 O GLU A 14 -21.496 5.372 -7.917 1.00 0.00 O ATOM 209 CB GLU A 14 -20.457 8.441 -8.750 1.00 0.00 C ATOM 210 CG GLU A 14 -21.165 9.779 -8.973 1.00 0.00 C ATOM 211 CD GLU A 14 -22.655 9.685 -9.264 1.00 0.00 C ATOM 212 OE1 GLU A 14 -23.074 9.035 -10.259 1.00 0.00 O ATOM 213 OE2 GLU A 14 -23.456 10.281 -8.495 1.00 0.00 O ATOM 0 H GLU A 14 -20.238 8.956 -6.263 1.00 0.00 H new ATOM 0 HA GLU A 14 -22.150 7.669 -7.842 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -19.405 8.621 -8.530 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -20.495 7.855 -9.668 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -21.023 10.399 -8.088 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -20.681 10.294 -9.803 1.00 0.00 H new ATOM 220 N ALA A 15 -19.462 5.776 -7.137 1.00 0.00 N ATOM 221 CA ALA A 15 -19.061 4.405 -7.190 1.00 0.00 C ATOM 222 C ALA A 15 -19.789 3.481 -6.275 1.00 0.00 C ATOM 223 O ALA A 15 -20.119 2.365 -6.674 1.00 0.00 O ATOM 224 CB ALA A 15 -17.550 4.316 -6.917 1.00 0.00 C ATOM 0 H ALA A 15 -18.757 6.395 -6.737 1.00 0.00 H new ATOM 0 HA ALA A 15 -19.319 4.065 -8.193 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -17.234 3.273 -6.955 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -17.010 4.887 -7.672 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.334 4.725 -5.930 1.00 0.00 H new ATOM 230 N PHE A 16 -20.237 4.049 -5.141 1.00 0.00 N ATOM 231 CA PHE A 16 -20.956 3.336 -4.132 1.00 0.00 C ATOM 232 C PHE A 16 -22.308 2.849 -4.526 1.00 0.00 C ATOM 233 O PHE A 16 -22.812 1.801 -4.126 1.00 0.00 O ATOM 234 CB PHE A 16 -21.060 4.207 -2.869 1.00 0.00 C ATOM 235 CG PHE A 16 -21.609 3.596 -1.625 1.00 0.00 C ATOM 236 CD1 PHE A 16 -20.770 2.907 -0.781 1.00 0.00 C ATOM 237 CD2 PHE A 16 -22.886 3.913 -1.228 1.00 0.00 C ATOM 238 CE1 PHE A 16 -21.277 2.360 0.374 1.00 0.00 C ATOM 239 CE2 PHE A 16 -23.349 3.414 -0.033 1.00 0.00 C ATOM 240 CZ PHE A 16 -22.569 2.616 0.770 1.00 0.00 C ATOM 0 H PHE A 16 -20.094 5.034 -4.920 1.00 0.00 H new ATOM 0 HA PHE A 16 -20.377 2.431 -3.949 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -20.062 4.581 -2.642 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -21.677 5.072 -3.113 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -19.723 2.797 -1.023 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -23.514 4.542 -1.842 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -20.652 1.720 0.979 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -24.353 3.656 0.283 1.00 0.00 H new ATOM 0 HZ PHE A 16 -22.960 2.201 1.687 1.00 0.00 H new ATOM 250 N SER A 17 -22.982 3.686 -5.335 1.00 0.00 N ATOM 251 CA SER A 17 -24.211 3.369 -5.994 1.00 0.00 C ATOM 252 C SER A 17 -24.041 2.365 -7.081 1.00 0.00 C ATOM 253 O SER A 17 -24.963 1.577 -7.287 1.00 0.00 O ATOM 254 CB SER A 17 -24.994 4.642 -6.354 1.00 0.00 C ATOM 255 OG SER A 17 -26.172 4.288 -7.064 1.00 0.00 O ATOM 0 H SER A 17 -22.654 4.630 -5.539 1.00 0.00 H new ATOM 0 HA SER A 17 -24.859 2.845 -5.292 1.00 0.00 H new ATOM 0 HB2 SER A 17 -25.253 5.191 -5.449 1.00 0.00 H new ATOM 0 HB3 SER A 17 -24.375 5.303 -6.961 1.00 0.00 H new ATOM 0 HG SER A 17 -26.672 5.099 -7.292 1.00 0.00 H new ATOM 261 N LEU A 18 -22.948 2.363 -7.865 1.00 0.00 N ATOM 262 CA LEU A 18 -22.505 1.530 -8.940 1.00 0.00 C ATOM 263 C LEU A 18 -22.109 0.142 -8.571 1.00 0.00 C ATOM 264 O LEU A 18 -22.421 -0.788 -9.312 1.00 0.00 O ATOM 265 CB LEU A 18 -21.400 2.153 -9.809 1.00 0.00 C ATOM 266 CG LEU A 18 -21.872 3.403 -10.571 1.00 0.00 C ATOM 267 CD1 LEU A 18 -20.716 3.978 -11.407 1.00 0.00 C ATOM 268 CD2 LEU A 18 -23.040 3.167 -11.543 1.00 0.00 C ATOM 0 H LEU A 18 -22.249 3.088 -7.705 1.00 0.00 H new ATOM 0 HA LEU A 18 -23.419 1.454 -9.528 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -20.553 2.418 -9.176 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -21.045 1.411 -10.524 1.00 0.00 H new ATOM 0 HG LEU A 18 -22.215 4.082 -9.791 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -21.060 4.863 -11.943 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -19.891 4.250 -10.749 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -20.377 3.229 -12.123 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -23.301 4.105 -12.032 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -22.745 2.435 -12.295 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -23.903 2.793 -10.991 1.00 0.00 H new ATOM 280 N PHE A 19 -21.472 -0.033 -7.399 1.00 0.00 N ATOM 281 CA PHE A 19 -21.200 -1.326 -6.853 1.00 0.00 C ATOM 282 C PHE A 19 -22.418 -2.040 -6.376 1.00 0.00 C ATOM 283 O PHE A 19 -22.497 -3.257 -6.217 1.00 0.00 O ATOM 284 CB PHE A 19 -20.244 -1.153 -5.661 1.00 0.00 C ATOM 285 CG PHE A 19 -18.946 -0.558 -6.086 1.00 0.00 C ATOM 286 CD1 PHE A 19 -18.221 -0.952 -7.186 1.00 0.00 C ATOM 287 CD2 PHE A 19 -18.442 0.310 -5.146 1.00 0.00 C ATOM 288 CE1 PHE A 19 -17.011 -0.364 -7.469 1.00 0.00 C ATOM 289 CE2 PHE A 19 -17.297 0.988 -5.493 1.00 0.00 C ATOM 290 CZ PHE A 19 -16.610 0.653 -6.636 1.00 0.00 C ATOM 0 H PHE A 19 -21.140 0.738 -6.820 1.00 0.00 H new ATOM 0 HA PHE A 19 -20.768 -1.928 -7.652 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -20.709 -0.515 -4.909 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -20.066 -2.121 -5.192 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -18.605 -1.728 -7.832 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -18.919 0.452 -4.188 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -16.406 -0.685 -8.304 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -16.935 1.788 -4.864 1.00 0.00 H new ATOM 0 HZ PHE A 19 -15.721 1.211 -6.889 1.00 0.00 H new ATOM 300 N ASP A 20 -23.539 -1.324 -6.177 1.00 0.00 N ATOM 301 CA ASP A 20 -24.779 -1.779 -5.631 1.00 0.00 C ATOM 302 C ASP A 20 -25.657 -2.652 -6.460 1.00 0.00 C ATOM 303 O ASP A 20 -25.986 -2.192 -7.552 1.00 0.00 O ATOM 304 CB ASP A 20 -25.499 -0.626 -4.913 1.00 0.00 C ATOM 305 CG ASP A 20 -26.176 -1.153 -3.655 1.00 0.00 C ATOM 306 OD1 ASP A 20 -27.258 -1.791 -3.747 1.00 0.00 O ATOM 307 OD2 ASP A 20 -25.523 -1.133 -2.578 1.00 0.00 O ATOM 0 H ASP A 20 -23.578 -0.335 -6.422 1.00 0.00 H new ATOM 0 HA ASP A 20 -24.483 -2.529 -4.898 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -24.786 0.157 -4.654 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -26.239 -0.177 -5.576 1.00 0.00 H new ATOM 312 N LYS A 21 -26.073 -3.837 -5.977 1.00 0.00 N ATOM 313 CA LYS A 21 -26.969 -4.736 -6.636 1.00 0.00 C ATOM 314 C LYS A 21 -28.373 -4.282 -6.428 1.00 0.00 C ATOM 315 O LYS A 21 -29.104 -4.119 -7.404 1.00 0.00 O ATOM 316 CB LYS A 21 -26.732 -6.159 -6.103 1.00 0.00 C ATOM 317 CG LYS A 21 -27.409 -7.271 -6.906 1.00 0.00 C ATOM 318 CD LYS A 21 -26.928 -8.652 -6.456 1.00 0.00 C ATOM 319 CE LYS A 21 -27.344 -9.723 -7.466 1.00 0.00 C ATOM 320 NZ LYS A 21 -27.027 -11.049 -6.892 1.00 0.00 N ATOM 0 H LYS A 21 -25.764 -4.188 -5.070 1.00 0.00 H new ATOM 0 HA LYS A 21 -26.786 -4.745 -7.710 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -25.659 -6.349 -6.081 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -27.085 -6.209 -5.073 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -28.490 -7.203 -6.786 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -27.197 -7.137 -7.967 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -25.843 -8.648 -6.348 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -27.345 -8.887 -5.477 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -28.410 -9.648 -7.682 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -26.816 -9.581 -8.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -27.303 -11.793 -7.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -26.006 -11.112 -6.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -27.550 -11.176 -6.002 1.00 0.00 H new ATOM 334 N ASP A 22 -28.815 -3.968 -5.197 1.00 0.00 N ATOM 335 CA ASP A 22 -30.129 -3.573 -4.796 1.00 0.00 C ATOM 336 C ASP A 22 -30.459 -2.201 -5.275 1.00 0.00 C ATOM 337 O ASP A 22 -31.591 -1.852 -5.605 1.00 0.00 O ATOM 338 CB ASP A 22 -30.395 -3.735 -3.289 1.00 0.00 C ATOM 339 CG ASP A 22 -29.648 -4.873 -2.609 1.00 0.00 C ATOM 340 OD1 ASP A 22 -28.419 -4.693 -2.395 1.00 0.00 O ATOM 341 OD2 ASP A 22 -30.302 -5.914 -2.336 1.00 0.00 O ATOM 0 H ASP A 22 -28.180 -3.995 -4.399 1.00 0.00 H new ATOM 0 HA ASP A 22 -30.809 -4.271 -5.285 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -30.133 -2.802 -2.790 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -31.464 -3.886 -3.141 1.00 0.00 H new ATOM 346 N GLY A 23 -29.432 -1.333 -5.260 1.00 0.00 N ATOM 347 CA GLY A 23 -29.433 0.087 -5.434 1.00 0.00 C ATOM 348 C GLY A 23 -29.825 0.829 -4.203 1.00 0.00 C ATOM 349 O GLY A 23 -30.571 1.802 -4.311 1.00 0.00 O ATOM 0 H GLY A 23 -28.483 -1.674 -5.106 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -28.439 0.409 -5.744 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -30.118 0.347 -6.241 1.00 0.00 H new ATOM 353 N ASP A 24 -29.386 0.459 -2.986 1.00 0.00 N ATOM 354 CA ASP A 24 -30.055 0.854 -1.786 1.00 0.00 C ATOM 355 C ASP A 24 -29.246 1.782 -0.947 1.00 0.00 C ATOM 356 O ASP A 24 -29.798 2.558 -0.169 1.00 0.00 O ATOM 357 CB ASP A 24 -30.517 -0.330 -0.920 1.00 0.00 C ATOM 358 CG ASP A 24 -29.420 -1.207 -0.334 1.00 0.00 C ATOM 359 OD1 ASP A 24 -28.579 -1.749 -1.101 1.00 0.00 O ATOM 360 OD2 ASP A 24 -29.248 -1.076 0.907 1.00 0.00 O ATOM 0 H ASP A 24 -28.560 -0.119 -2.833 1.00 0.00 H new ATOM 0 HA ASP A 24 -30.940 1.381 -2.143 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -31.117 0.061 -0.099 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -31.172 -0.959 -1.522 1.00 0.00 H new ATOM 365 N GLY A 25 -27.904 1.692 -0.956 1.00 0.00 N ATOM 366 CA GLY A 25 -27.144 2.453 -0.013 1.00 0.00 C ATOM 367 C GLY A 25 -26.323 1.577 0.870 1.00 0.00 C ATOM 368 O GLY A 25 -25.816 2.109 1.856 1.00 0.00 O ATOM 0 H GLY A 25 -27.359 1.112 -1.594 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -26.492 3.146 -0.546 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -27.818 3.054 0.597 1.00 0.00 H new ATOM 372 N THR A 26 -26.307 0.244 0.691 1.00 0.00 N ATOM 373 CA THR A 26 -25.603 -0.578 1.626 1.00 0.00 C ATOM 374 C THR A 26 -24.762 -1.595 0.935 1.00 0.00 C ATOM 375 O THR A 26 -25.230 -2.195 -0.032 1.00 0.00 O ATOM 376 CB THR A 26 -26.447 -1.324 2.617 1.00 0.00 C ATOM 377 OG1 THR A 26 -27.635 -0.574 2.825 1.00 0.00 O ATOM 378 CG2 THR A 26 -25.609 -1.381 3.905 1.00 0.00 C ATOM 0 H THR A 26 -26.765 -0.252 -0.074 1.00 0.00 H new ATOM 0 HA THR A 26 -25.011 0.152 2.178 1.00 0.00 H new ATOM 0 HB THR A 26 -26.722 -2.326 2.289 1.00 0.00 H new ATOM 0 HG1 THR A 26 -28.333 -0.891 2.214 1.00 0.00 H new ATOM 0 HG21 THR A 26 -26.164 -1.914 4.677 1.00 0.00 H new ATOM 0 HG22 THR A 26 -24.672 -1.902 3.707 1.00 0.00 H new ATOM 0 HG23 THR A 26 -25.396 -0.368 4.245 1.00 0.00 H new ATOM 386 N ILE A 27 -23.530 -1.893 1.386 1.00 0.00 N ATOM 387 CA ILE A 27 -22.691 -2.785 0.647 1.00 0.00 C ATOM 388 C ILE A 27 -22.630 -4.066 1.404 1.00 0.00 C ATOM 389 O ILE A 27 -22.272 -4.084 2.581 1.00 0.00 O ATOM 390 CB ILE A 27 -21.279 -2.382 0.338 1.00 0.00 C ATOM 391 CG1 ILE A 27 -21.132 -0.891 -0.010 1.00 0.00 C ATOM 392 CG2 ILE A 27 -20.755 -3.235 -0.830 1.00 0.00 C ATOM 393 CD1 ILE A 27 -19.699 -0.467 -0.332 1.00 0.00 C ATOM 0 H ILE A 27 -23.121 -1.525 2.245 1.00 0.00 H new ATOM 0 HA ILE A 27 -23.165 -2.823 -0.334 1.00 0.00 H new ATOM 0 HB ILE A 27 -20.694 -2.552 1.242 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -21.768 -0.663 -0.865 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -21.497 -0.295 0.827 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -19.729 -2.947 -1.059 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -20.782 -4.289 -0.552 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -21.382 -3.075 -1.707 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -19.679 0.597 -0.567 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -19.060 -0.661 0.529 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -19.335 -1.035 -1.189 1.00 0.00 H new ATOM 405 N THR A 28 -22.994 -5.207 0.792 1.00 0.00 N ATOM 406 CA THR A 28 -22.935 -6.544 1.297 1.00 0.00 C ATOM 407 C THR A 28 -21.624 -7.176 0.978 1.00 0.00 C ATOM 408 O THR A 28 -20.684 -6.582 0.452 1.00 0.00 O ATOM 409 CB THR A 28 -24.049 -7.362 0.716 1.00 0.00 C ATOM 410 OG1 THR A 28 -24.089 -7.414 -0.703 1.00 0.00 O ATOM 411 CG2 THR A 28 -25.394 -6.846 1.255 1.00 0.00 C ATOM 0 H THR A 28 -23.369 -5.188 -0.156 1.00 0.00 H new ATOM 0 HA THR A 28 -23.044 -6.504 2.381 1.00 0.00 H new ATOM 0 HB THR A 28 -23.855 -8.387 1.033 1.00 0.00 H new ATOM 0 HG1 THR A 28 -24.656 -6.690 -1.041 1.00 0.00 H new ATOM 0 HG21 THR A 28 -26.206 -7.439 0.834 1.00 0.00 H new ATOM 0 HG22 THR A 28 -25.407 -6.931 2.342 1.00 0.00 H new ATOM 0 HG23 THR A 28 -25.523 -5.801 0.972 1.00 0.00 H new ATOM 419 N THR A 29 -21.452 -8.455 1.360 1.00 0.00 N ATOM 420 CA THR A 29 -20.293 -9.237 1.058 1.00 0.00 C ATOM 421 C THR A 29 -20.169 -9.553 -0.393 1.00 0.00 C ATOM 422 O THR A 29 -19.105 -9.569 -1.009 1.00 0.00 O ATOM 423 CB THR A 29 -20.337 -10.563 1.758 1.00 0.00 C ATOM 424 OG1 THR A 29 -21.627 -11.156 1.757 1.00 0.00 O ATOM 425 CG2 THR A 29 -20.092 -10.486 3.274 1.00 0.00 C ATOM 0 H THR A 29 -22.150 -8.965 1.902 1.00 0.00 H new ATOM 0 HA THR A 29 -19.452 -8.626 1.387 1.00 0.00 H new ATOM 0 HB THR A 29 -19.573 -11.111 1.207 1.00 0.00 H new ATOM 0 HG1 THR A 29 -21.592 -12.016 2.225 1.00 0.00 H new ATOM 0 HG21 THR A 29 -20.141 -11.487 3.702 1.00 0.00 H new ATOM 0 HG22 THR A 29 -19.107 -10.059 3.462 1.00 0.00 H new ATOM 0 HG23 THR A 29 -20.854 -9.857 3.734 1.00 0.00 H new ATOM 433 N LYS A 30 -21.227 -9.939 -1.128 1.00 0.00 N ATOM 434 CA LYS A 30 -21.308 -10.235 -2.525 1.00 0.00 C ATOM 435 C LYS A 30 -21.000 -8.961 -3.233 1.00 0.00 C ATOM 436 O LYS A 30 -20.292 -8.980 -4.238 1.00 0.00 O ATOM 437 CB LYS A 30 -22.751 -10.616 -2.899 1.00 0.00 C ATOM 438 CG LYS A 30 -23.154 -11.998 -2.381 1.00 0.00 C ATOM 439 CD LYS A 30 -22.572 -13.121 -3.242 1.00 0.00 C ATOM 440 CE LYS A 30 -23.209 -14.478 -2.932 1.00 0.00 C ATOM 441 NZ LYS A 30 -22.537 -15.583 -3.651 1.00 0.00 N ATOM 0 H LYS A 30 -22.137 -10.057 -0.683 1.00 0.00 H new ATOM 0 HA LYS A 30 -20.633 -11.051 -2.784 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -23.435 -9.869 -2.496 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -22.858 -10.594 -3.984 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -22.812 -12.114 -1.353 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -24.241 -12.078 -2.366 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -22.722 -12.884 -4.295 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -21.496 -13.181 -3.079 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -23.163 -14.663 -1.859 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -24.263 -14.455 -3.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -22.908 -16.494 -3.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -22.718 -15.494 -4.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -21.513 -15.539 -3.476 1.00 0.00 H new ATOM 455 N GLU A 31 -21.522 -7.835 -2.715 1.00 0.00 N ATOM 456 CA GLU A 31 -21.257 -6.566 -3.319 1.00 0.00 C ATOM 457 C GLU A 31 -19.895 -6.005 -3.098 1.00 0.00 C ATOM 458 O GLU A 31 -19.392 -5.280 -3.954 1.00 0.00 O ATOM 459 CB GLU A 31 -22.280 -5.508 -2.871 1.00 0.00 C ATOM 460 CG GLU A 31 -23.690 -5.777 -3.399 1.00 0.00 C ATOM 461 CD GLU A 31 -24.737 -4.948 -2.669 1.00 0.00 C ATOM 462 OE1 GLU A 31 -24.873 -4.943 -1.416 1.00 0.00 O ATOM 463 OE2 GLU A 31 -25.548 -4.342 -3.419 1.00 0.00 O ATOM 0 H GLU A 31 -22.120 -7.802 -1.889 1.00 0.00 H new ATOM 0 HA GLU A 31 -21.336 -6.785 -4.384 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.306 -5.475 -1.782 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -21.952 -4.526 -3.212 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -23.728 -5.552 -4.465 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -23.923 -6.836 -3.288 1.00 0.00 H new ATOM 470 N LEU A 32 -19.221 -6.418 -2.009 1.00 0.00 N ATOM 471 CA LEU A 32 -17.807 -6.228 -1.904 1.00 0.00 C ATOM 472 C LEU A 32 -17.104 -7.048 -2.930 1.00 0.00 C ATOM 473 O LEU A 32 -16.077 -6.616 -3.451 1.00 0.00 O ATOM 474 CB LEU A 32 -17.326 -6.436 -0.459 1.00 0.00 C ATOM 475 CG LEU A 32 -16.116 -5.538 -0.149 1.00 0.00 C ATOM 476 CD1 LEU A 32 -16.194 -4.026 -0.418 1.00 0.00 C ATOM 477 CD2 LEU A 32 -15.711 -5.896 1.291 1.00 0.00 C ATOM 0 H LEU A 32 -19.651 -6.880 -1.207 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.550 -5.193 -2.129 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -18.137 -6.213 0.234 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.056 -7.481 -0.308 1.00 0.00 H new ATOM 0 HG LEU A 32 -15.352 -5.760 -0.894 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.250 -3.558 -0.139 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -16.385 -3.854 -1.477 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -17.002 -3.593 0.172 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.851 -5.295 1.587 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.544 -5.694 1.964 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -15.450 -6.953 1.344 1.00 0.00 H new ATOM 489 N GLY A 33 -17.546 -8.283 -3.229 1.00 0.00 N ATOM 490 CA GLY A 33 -16.966 -9.097 -4.251 1.00 0.00 C ATOM 491 C GLY A 33 -17.099 -8.516 -5.617 1.00 0.00 C ATOM 492 O GLY A 33 -16.214 -8.712 -6.448 1.00 0.00 O ATOM 0 H GLY A 33 -18.328 -8.727 -2.747 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.909 -9.247 -4.029 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.438 -10.079 -4.234 1.00 0.00 H new ATOM 496 N THR A 34 -18.136 -7.701 -5.885 1.00 0.00 N ATOM 497 CA THR A 34 -18.211 -6.777 -6.973 1.00 0.00 C ATOM 498 C THR A 34 -17.155 -5.730 -7.063 1.00 0.00 C ATOM 499 O THR A 34 -16.620 -5.447 -8.135 1.00 0.00 O ATOM 500 CB THR A 34 -19.549 -6.119 -7.139 1.00 0.00 C ATOM 501 OG1 THR A 34 -20.612 -7.051 -6.998 1.00 0.00 O ATOM 502 CG2 THR A 34 -19.667 -5.517 -8.549 1.00 0.00 C ATOM 0 H THR A 34 -18.974 -7.688 -5.304 1.00 0.00 H new ATOM 0 HA THR A 34 -18.029 -7.468 -7.796 1.00 0.00 H new ATOM 0 HB THR A 34 -19.622 -5.352 -6.368 1.00 0.00 H new ATOM 0 HG1 THR A 34 -21.469 -6.589 -7.110 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.641 -5.041 -8.661 1.00 0.00 H new ATOM 0 HG22 THR A 34 -18.882 -4.775 -8.695 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.562 -6.307 -9.292 1.00 0.00 H new ATOM 510 N VAL A 35 -16.768 -5.034 -5.979 1.00 0.00 N ATOM 511 CA VAL A 35 -15.698 -4.090 -5.881 1.00 0.00 C ATOM 512 C VAL A 35 -14.397 -4.784 -6.095 1.00 0.00 C ATOM 513 O VAL A 35 -13.628 -4.386 -6.968 1.00 0.00 O ATOM 514 CB VAL A 35 -15.567 -3.371 -4.571 1.00 0.00 C ATOM 515 CG1 VAL A 35 -14.442 -2.323 -4.620 1.00 0.00 C ATOM 516 CG2 VAL A 35 -16.867 -2.636 -4.206 1.00 0.00 C ATOM 0 H VAL A 35 -17.252 -5.144 -5.088 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.942 -3.347 -6.641 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.341 -4.132 -3.824 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.372 -1.819 -3.656 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.495 -2.816 -4.842 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -14.661 -1.591 -5.397 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -16.740 -2.125 -3.252 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -17.102 -1.906 -4.980 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -17.682 -3.356 -4.127 1.00 0.00 H new ATOM 526 N MET A 36 -14.066 -5.878 -5.386 1.00 0.00 N ATOM 527 CA MET A 36 -12.899 -6.683 -5.571 1.00 0.00 C ATOM 528 C MET A 36 -12.762 -7.210 -6.959 1.00 0.00 C ATOM 529 O MET A 36 -11.629 -7.134 -7.433 1.00 0.00 O ATOM 530 CB MET A 36 -12.865 -7.797 -4.511 1.00 0.00 C ATOM 531 CG MET A 36 -12.707 -7.317 -3.066 1.00 0.00 C ATOM 532 SD MET A 36 -11.127 -6.568 -2.568 1.00 0.00 S ATOM 533 CE MET A 36 -11.919 -6.123 -0.995 1.00 0.00 C ATOM 0 H MET A 36 -14.657 -6.223 -4.630 1.00 0.00 H new ATOM 0 HA MET A 36 -12.027 -6.044 -5.431 1.00 0.00 H new ATOM 0 HB2 MET A 36 -13.785 -8.376 -4.586 1.00 0.00 H new ATOM 0 HB3 MET A 36 -12.043 -8.474 -4.744 1.00 0.00 H new ATOM 0 HG2 MET A 36 -13.495 -6.590 -2.870 1.00 0.00 H new ATOM 0 HG3 MET A 36 -12.891 -8.169 -2.412 1.00 0.00 H new ATOM 0 HE1 MET A 36 -11.158 -6.020 -0.221 1.00 0.00 H new ATOM 0 HE2 MET A 36 -12.451 -5.178 -1.110 1.00 0.00 H new ATOM 0 HE3 MET A 36 -12.624 -6.904 -0.709 1.00 0.00 H new ATOM 543 N ARG A 37 -13.844 -7.597 -7.657 1.00 0.00 N ATOM 544 CA ARG A 37 -13.861 -8.094 -8.998 1.00 0.00 C ATOM 545 C ARG A 37 -13.563 -6.980 -9.941 1.00 0.00 C ATOM 546 O ARG A 37 -12.883 -7.180 -10.946 1.00 0.00 O ATOM 547 CB ARG A 37 -15.143 -8.835 -9.413 1.00 0.00 C ATOM 548 CG ARG A 37 -15.031 -9.608 -10.729 1.00 0.00 C ATOM 549 CD ARG A 37 -16.321 -10.307 -11.162 1.00 0.00 C ATOM 550 NE ARG A 37 -17.179 -9.214 -11.699 1.00 0.00 N ATOM 551 CZ ARG A 37 -18.412 -9.344 -12.271 1.00 0.00 C ATOM 552 NH1 ARG A 37 -18.828 -10.605 -12.586 1.00 0.00 N ATOM 553 NH2 ARG A 37 -19.142 -8.256 -12.656 1.00 0.00 N ATOM 0 H ARG A 37 -14.779 -7.559 -7.251 1.00 0.00 H new ATOM 0 HA ARG A 37 -13.086 -8.859 -9.041 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -15.419 -9.530 -8.620 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -15.954 -8.112 -9.499 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -14.723 -8.919 -11.516 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -14.242 -10.354 -10.632 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -16.125 -11.066 -11.920 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -16.800 -10.811 -10.322 1.00 0.00 H new ATOM 0 HE ARG A 37 -16.805 -8.267 -11.632 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -18.225 -11.404 -12.393 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -19.742 -10.748 -13.015 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -18.769 -7.317 -12.519 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -20.061 -8.383 -13.081 1.00 0.00 H new ATOM 567 N SER A 38 -14.065 -5.763 -9.665 1.00 0.00 N ATOM 568 CA SER A 38 -13.821 -4.660 -10.542 1.00 0.00 C ATOM 569 C SER A 38 -12.413 -4.174 -10.565 1.00 0.00 C ATOM 570 O SER A 38 -11.947 -3.624 -11.562 1.00 0.00 O ATOM 571 CB SER A 38 -14.845 -3.550 -10.250 1.00 0.00 C ATOM 572 OG SER A 38 -14.687 -2.378 -11.036 1.00 0.00 O ATOM 0 H SER A 38 -14.632 -5.544 -8.846 1.00 0.00 H new ATOM 0 HA SER A 38 -13.962 -5.018 -11.562 1.00 0.00 H new ATOM 0 HB2 SER A 38 -15.847 -3.947 -10.411 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.775 -3.277 -9.197 1.00 0.00 H new ATOM 0 HG SER A 38 -15.375 -1.725 -10.791 1.00 0.00 H new ATOM 578 N LEU A 39 -11.598 -4.483 -9.541 1.00 0.00 N ATOM 579 CA LEU A 39 -10.179 -4.311 -9.523 1.00 0.00 C ATOM 580 C LEU A 39 -9.468 -5.578 -9.855 1.00 0.00 C ATOM 581 O LEU A 39 -8.241 -5.649 -9.801 1.00 0.00 O ATOM 582 CB LEU A 39 -9.789 -3.875 -8.100 1.00 0.00 C ATOM 583 CG LEU A 39 -10.419 -2.519 -7.739 1.00 0.00 C ATOM 584 CD1 LEU A 39 -10.130 -2.409 -6.233 1.00 0.00 C ATOM 585 CD2 LEU A 39 -9.853 -1.431 -8.667 1.00 0.00 C ATOM 0 H LEU A 39 -11.954 -4.878 -8.671 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.896 -3.568 -10.269 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -10.112 -4.631 -7.384 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.704 -3.806 -8.023 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.492 -2.405 -7.896 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.535 -1.472 -5.852 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.596 -3.245 -5.711 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.053 -2.433 -6.066 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.298 -0.469 -8.413 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.771 -1.374 -8.544 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.088 -1.678 -9.702 1.00 0.00 H new ATOM 597 N GLY A 40 -10.151 -6.672 -10.237 1.00 0.00 N ATOM 598 CA GLY A 40 -9.524 -7.901 -10.613 1.00 0.00 C ATOM 599 C GLY A 40 -8.839 -8.611 -9.496 1.00 0.00 C ATOM 600 O GLY A 40 -8.050 -9.494 -9.830 1.00 0.00 O ATOM 0 H GLY A 40 -11.169 -6.702 -10.286 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.277 -8.563 -11.040 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.796 -7.698 -11.398 1.00 0.00 H new ATOM 604 N GLN A 41 -9.288 -8.454 -8.238 1.00 0.00 N ATOM 605 CA GLN A 41 -8.669 -9.042 -7.091 1.00 0.00 C ATOM 606 C GLN A 41 -9.509 -10.233 -6.783 1.00 0.00 C ATOM 607 O GLN A 41 -10.655 -10.272 -7.227 1.00 0.00 O ATOM 608 CB GLN A 41 -8.623 -8.076 -5.895 1.00 0.00 C ATOM 609 CG GLN A 41 -7.727 -6.865 -6.161 1.00 0.00 C ATOM 610 CD GLN A 41 -6.316 -7.276 -6.558 1.00 0.00 C ATOM 611 OE1 GLN A 41 -5.430 -7.682 -5.808 1.00 0.00 O ATOM 612 NE2 GLN A 41 -5.946 -6.830 -7.789 1.00 0.00 N ATOM 0 H GLN A 41 -10.112 -7.897 -8.011 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.628 -9.300 -7.287 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.633 -7.735 -5.667 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.260 -8.607 -5.015 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.164 -6.258 -6.953 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.685 -6.242 -5.268 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.652 -6.485 -8.440 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.963 -6.840 -8.061 1.00 0.00 H new ATOM 621 N ASN A 42 -8.935 -11.187 -6.028 1.00 0.00 N ATOM 622 CA ASN A 42 -9.521 -12.490 -5.957 1.00 0.00 C ATOM 623 C ASN A 42 -9.815 -13.001 -4.588 1.00 0.00 C ATOM 624 O ASN A 42 -9.386 -14.136 -4.386 1.00 0.00 O ATOM 625 CB ASN A 42 -8.689 -13.478 -6.791 1.00 0.00 C ATOM 626 CG ASN A 42 -8.508 -13.137 -8.264 1.00 0.00 C ATOM 627 OD1 ASN A 42 -9.373 -13.361 -9.109 1.00 0.00 O ATOM 628 ND2 ASN A 42 -7.292 -12.652 -8.630 1.00 0.00 N ATOM 0 H ASN A 42 -8.085 -11.062 -5.478 1.00 0.00 H new ATOM 0 HA ASN A 42 -10.517 -12.391 -6.388 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.702 -13.562 -6.336 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.156 -14.460 -6.723 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.090 -12.471 -9.613 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.581 -12.470 -7.921 1.00 0.00 H new ATOM 635 N PRO A 43 -10.449 -12.464 -3.589 1.00 0.00 N ATOM 636 CA PRO A 43 -10.699 -13.253 -2.417 1.00 0.00 C ATOM 637 C PRO A 43 -11.934 -14.061 -2.624 1.00 0.00 C ATOM 638 O PRO A 43 -12.851 -13.729 -3.373 1.00 0.00 O ATOM 639 CB PRO A 43 -10.929 -12.212 -1.324 1.00 0.00 C ATOM 640 CG PRO A 43 -11.338 -10.920 -2.049 1.00 0.00 C ATOM 641 CD PRO A 43 -10.500 -11.033 -3.332 1.00 0.00 C ATOM 0 HA PRO A 43 -9.892 -13.945 -2.176 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -11.709 -12.536 -0.634 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -10.025 -12.059 -0.734 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -12.408 -10.883 -2.256 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -11.094 -10.028 -1.473 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -10.961 -10.494 -4.160 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.502 -10.615 -3.196 1.00 0.00 H new ATOM 649 N THR A 44 -11.980 -15.128 -1.806 1.00 0.00 N ATOM 650 CA THR A 44 -13.132 -15.937 -1.556 1.00 0.00 C ATOM 651 C THR A 44 -14.181 -15.218 -0.779 1.00 0.00 C ATOM 652 O THR A 44 -13.837 -14.235 -0.124 1.00 0.00 O ATOM 653 CB THR A 44 -12.872 -17.249 -0.876 1.00 0.00 C ATOM 654 OG1 THR A 44 -12.333 -17.057 0.423 1.00 0.00 O ATOM 655 CG2 THR A 44 -12.019 -18.144 -1.791 1.00 0.00 C ATOM 0 H THR A 44 -11.161 -15.445 -1.287 1.00 0.00 H new ATOM 0 HA THR A 44 -13.479 -16.157 -2.566 1.00 0.00 H new ATOM 0 HB THR A 44 -13.811 -17.777 -0.712 1.00 0.00 H new ATOM 0 HG1 THR A 44 -11.481 -16.578 0.356 1.00 0.00 H new ATOM 0 HG21 THR A 44 -11.831 -19.097 -1.296 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.551 -18.320 -2.726 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.070 -17.651 -2.001 1.00 0.00 H new ATOM 663 N GLU A 45 -15.308 -15.945 -0.678 1.00 0.00 N ATOM 664 CA GLU A 45 -16.457 -15.442 0.009 1.00 0.00 C ATOM 665 C GLU A 45 -16.414 -15.559 1.494 1.00 0.00 C ATOM 666 O GLU A 45 -17.016 -14.796 2.248 1.00 0.00 O ATOM 667 CB GLU A 45 -17.753 -16.101 -0.491 1.00 0.00 C ATOM 668 CG GLU A 45 -18.011 -15.877 -1.983 1.00 0.00 C ATOM 669 CD GLU A 45 -19.488 -16.179 -2.196 1.00 0.00 C ATOM 670 OE1 GLU A 45 -19.782 -17.384 -2.416 1.00 0.00 O ATOM 671 OE2 GLU A 45 -20.290 -15.216 -2.329 1.00 0.00 O ATOM 0 H GLU A 45 -15.424 -16.879 -1.071 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.444 -14.378 -0.227 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.707 -17.172 -0.294 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -18.595 -15.708 0.079 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.775 -14.853 -2.272 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -17.386 -16.531 -2.591 1.00 0.00 H new ATOM 678 N ALA A 46 -15.572 -16.445 2.055 1.00 0.00 N ATOM 679 CA ALA A 46 -15.168 -16.449 3.427 1.00 0.00 C ATOM 680 C ALA A 46 -14.305 -15.328 3.897 1.00 0.00 C ATOM 681 O ALA A 46 -14.392 -14.803 5.006 1.00 0.00 O ATOM 682 CB ALA A 46 -14.523 -17.772 3.872 1.00 0.00 C ATOM 0 H ALA A 46 -15.149 -17.203 1.519 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.136 -16.306 3.907 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -14.241 -17.704 4.923 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -15.235 -18.587 3.739 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.635 -17.964 3.270 1.00 0.00 H new ATOM 688 N GLU A 47 -13.346 -15.005 3.011 1.00 0.00 N ATOM 689 CA GLU A 47 -12.448 -13.898 3.126 1.00 0.00 C ATOM 690 C GLU A 47 -13.164 -12.595 3.032 1.00 0.00 C ATOM 691 O GLU A 47 -12.781 -11.565 3.584 1.00 0.00 O ATOM 692 CB GLU A 47 -11.322 -14.067 2.092 1.00 0.00 C ATOM 693 CG GLU A 47 -10.225 -15.073 2.446 1.00 0.00 C ATOM 694 CD GLU A 47 -9.441 -15.563 1.237 1.00 0.00 C ATOM 695 OE1 GLU A 47 -9.880 -15.548 0.056 1.00 0.00 O ATOM 696 OE2 GLU A 47 -8.231 -15.753 1.535 1.00 0.00 O ATOM 0 H GLU A 47 -13.189 -15.550 2.163 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.991 -13.887 4.116 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.769 -14.367 1.144 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.856 -13.095 1.931 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.536 -14.614 3.155 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.676 -15.929 2.949 1.00 0.00 H new ATOM 703 N LEU A 48 -14.264 -12.547 2.260 1.00 0.00 N ATOM 704 CA LEU A 48 -15.206 -11.481 2.114 1.00 0.00 C ATOM 705 C LEU A 48 -16.065 -11.294 3.316 1.00 0.00 C ATOM 706 O LEU A 48 -16.291 -10.157 3.728 1.00 0.00 O ATOM 707 CB LEU A 48 -16.126 -11.760 0.913 1.00 0.00 C ATOM 708 CG LEU A 48 -15.412 -11.269 -0.357 1.00 0.00 C ATOM 709 CD1 LEU A 48 -16.156 -11.679 -1.639 1.00 0.00 C ATOM 710 CD2 LEU A 48 -15.408 -9.732 -0.317 1.00 0.00 C ATOM 0 H LEU A 48 -14.518 -13.343 1.676 1.00 0.00 H new ATOM 0 HA LEU A 48 -14.621 -10.573 1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -16.344 -12.825 0.840 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -17.080 -11.247 1.036 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.414 -11.706 -0.376 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -15.613 -11.309 -2.509 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -16.224 -12.766 -1.689 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -17.159 -11.253 -1.630 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -14.908 -9.346 -1.205 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -16.434 -9.366 -0.291 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -14.879 -9.393 0.573 1.00 0.00 H new ATOM 722 N GLN A 49 -16.606 -12.355 3.941 1.00 0.00 N ATOM 723 CA GLN A 49 -17.334 -12.281 5.170 1.00 0.00 C ATOM 724 C GLN A 49 -16.569 -11.850 6.374 1.00 0.00 C ATOM 725 O GLN A 49 -17.031 -10.984 7.116 1.00 0.00 O ATOM 726 CB GLN A 49 -17.860 -13.714 5.360 1.00 0.00 C ATOM 727 CG GLN A 49 -18.637 -14.001 6.647 1.00 0.00 C ATOM 728 CD GLN A 49 -19.940 -13.214 6.674 1.00 0.00 C ATOM 729 OE1 GLN A 49 -20.981 -13.671 6.205 1.00 0.00 O ATOM 730 NE2 GLN A 49 -19.929 -11.946 7.164 1.00 0.00 N ATOM 0 H GLN A 49 -16.533 -13.304 3.575 1.00 0.00 H new ATOM 0 HA GLN A 49 -18.095 -11.505 5.089 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -18.504 -13.954 4.514 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -17.011 -14.396 5.317 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -18.849 -15.068 6.720 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -18.029 -13.737 7.512 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -19.071 -11.558 7.555 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -20.779 -11.383 7.141 1.00 0.00 H new ATOM 739 N ASP A 50 -15.326 -12.327 6.566 1.00 0.00 N ATOM 740 CA ASP A 50 -14.417 -11.948 7.603 1.00 0.00 C ATOM 741 C ASP A 50 -14.033 -10.508 7.591 1.00 0.00 C ATOM 742 O ASP A 50 -14.078 -9.774 8.577 1.00 0.00 O ATOM 743 CB ASP A 50 -13.166 -12.794 7.314 1.00 0.00 C ATOM 744 CG ASP A 50 -11.942 -12.600 8.197 1.00 0.00 C ATOM 745 OD1 ASP A 50 -12.114 -12.888 9.412 1.00 0.00 O ATOM 746 OD2 ASP A 50 -10.831 -12.264 7.705 1.00 0.00 O ATOM 0 H ASP A 50 -14.927 -13.033 5.947 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.878 -12.108 8.578 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.454 -13.844 7.372 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -12.866 -12.602 6.284 1.00 0.00 H new ATOM 751 N MET A 51 -13.639 -9.981 6.418 1.00 0.00 N ATOM 752 CA MET A 51 -13.411 -8.585 6.211 1.00 0.00 C ATOM 753 C MET A 51 -14.554 -7.657 6.437 1.00 0.00 C ATOM 754 O MET A 51 -14.358 -6.575 6.988 1.00 0.00 O ATOM 755 CB MET A 51 -12.775 -8.231 4.856 1.00 0.00 C ATOM 756 CG MET A 51 -13.566 -8.366 3.553 1.00 0.00 C ATOM 757 SD MET A 51 -12.621 -7.804 2.105 1.00 0.00 S ATOM 758 CE MET A 51 -11.801 -9.310 1.505 1.00 0.00 C ATOM 0 H MET A 51 -13.474 -10.546 5.585 1.00 0.00 H new ATOM 0 HA MET A 51 -12.701 -8.414 7.020 1.00 0.00 H new ATOM 0 HB2 MET A 51 -12.442 -7.195 4.921 1.00 0.00 H new ATOM 0 HB3 MET A 51 -11.882 -8.847 4.752 1.00 0.00 H new ATOM 0 HG2 MET A 51 -13.854 -9.408 3.413 1.00 0.00 H new ATOM 0 HG3 MET A 51 -14.487 -7.788 3.629 1.00 0.00 H new ATOM 0 HE1 MET A 51 -11.056 -9.044 0.755 1.00 0.00 H new ATOM 0 HE2 MET A 51 -11.313 -9.815 2.338 1.00 0.00 H new ATOM 0 HE3 MET A 51 -12.542 -9.975 1.061 1.00 0.00 H new ATOM 768 N ILE A 52 -15.752 -8.124 6.044 1.00 0.00 N ATOM 769 CA ILE A 52 -16.980 -7.501 6.428 1.00 0.00 C ATOM 770 C ILE A 52 -17.067 -7.048 7.845 1.00 0.00 C ATOM 771 O ILE A 52 -17.461 -5.917 8.126 1.00 0.00 O ATOM 772 CB ILE A 52 -18.186 -8.233 5.919 1.00 0.00 C ATOM 773 CG1 ILE A 52 -18.920 -7.396 4.857 1.00 0.00 C ATOM 774 CG2 ILE A 52 -19.257 -8.496 6.991 1.00 0.00 C ATOM 775 CD1 ILE A 52 -18.164 -7.094 3.565 1.00 0.00 C ATOM 0 H ILE A 52 -15.870 -8.946 5.451 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.975 -6.547 5.900 1.00 0.00 H new ATOM 0 HB ILE A 52 -17.783 -9.173 5.541 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -19.843 -7.914 4.596 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -19.205 -6.447 5.312 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -20.096 -9.029 6.544 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -18.830 -9.099 7.792 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -19.605 -7.547 7.398 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -18.795 -6.498 2.905 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -17.255 -6.539 3.797 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -17.902 -8.029 3.070 1.00 0.00 H new ATOM 787 N ASN A 53 -16.636 -7.926 8.769 1.00 0.00 N ATOM 788 CA ASN A 53 -16.723 -7.734 10.183 1.00 0.00 C ATOM 789 C ASN A 53 -15.736 -6.695 10.591 1.00 0.00 C ATOM 790 O ASN A 53 -16.011 -5.964 11.541 1.00 0.00 O ATOM 791 CB ASN A 53 -16.285 -9.024 10.897 1.00 0.00 C ATOM 792 CG ASN A 53 -17.301 -10.154 10.811 1.00 0.00 C ATOM 793 OD1 ASN A 53 -18.519 -10.000 10.733 1.00 0.00 O ATOM 794 ND2 ASN A 53 -16.800 -11.411 10.946 1.00 0.00 N ATOM 0 H ASN A 53 -16.205 -8.815 8.516 1.00 0.00 H new ATOM 0 HA ASN A 53 -17.745 -7.454 10.438 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -15.342 -9.363 10.467 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -16.094 -8.800 11.946 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -17.432 -12.211 10.981 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -15.792 -11.554 11.012 1.00 0.00 H new ATOM 801 N GLU A 54 -14.576 -6.562 9.922 1.00 0.00 N ATOM 802 CA GLU A 54 -13.516 -5.687 10.317 1.00 0.00 C ATOM 803 C GLU A 54 -13.665 -4.281 9.849 1.00 0.00 C ATOM 804 O GLU A 54 -13.379 -3.392 10.650 1.00 0.00 O ATOM 805 CB GLU A 54 -12.214 -6.248 9.719 1.00 0.00 C ATOM 806 CG GLU A 54 -11.752 -7.660 10.081 1.00 0.00 C ATOM 807 CD GLU A 54 -10.349 -7.999 9.599 1.00 0.00 C ATOM 808 OE1 GLU A 54 -9.625 -7.098 9.099 1.00 0.00 O ATOM 809 OE2 GLU A 54 -9.961 -9.198 9.600 1.00 0.00 O ATOM 0 H GLU A 54 -14.369 -7.085 9.071 1.00 0.00 H new ATOM 0 HA GLU A 54 -13.521 -5.651 11.406 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.312 -6.207 8.634 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.411 -5.564 9.993 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.790 -7.776 11.164 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -12.453 -8.379 9.658 1.00 0.00 H new ATOM 816 N VAL A 55 -14.123 -4.078 8.601 1.00 0.00 N ATOM 817 CA VAL A 55 -14.365 -2.803 8.000 1.00 0.00 C ATOM 818 C VAL A 55 -15.543 -2.018 8.465 1.00 0.00 C ATOM 819 O VAL A 55 -15.735 -0.825 8.232 1.00 0.00 O ATOM 820 CB VAL A 55 -14.377 -2.831 6.501 1.00 0.00 C ATOM 821 CG1 VAL A 55 -13.041 -3.485 6.109 1.00 0.00 C ATOM 822 CG2 VAL A 55 -15.580 -3.602 5.933 1.00 0.00 C ATOM 0 H VAL A 55 -14.337 -4.853 7.973 1.00 0.00 H new ATOM 0 HA VAL A 55 -13.490 -2.270 8.372 1.00 0.00 H new ATOM 0 HB VAL A 55 -14.481 -1.828 6.086 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -12.970 -3.544 5.023 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -12.216 -2.886 6.495 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -12.990 -4.489 6.531 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -15.538 -3.590 4.844 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -15.551 -4.633 6.286 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -16.505 -3.130 6.266 1.00 0.00 H new ATOM 832 N ASP A 56 -16.323 -2.663 9.350 1.00 0.00 N ATOM 833 CA ASP A 56 -17.531 -2.072 9.836 1.00 0.00 C ATOM 834 C ASP A 56 -17.423 -1.528 11.219 1.00 0.00 C ATOM 835 O ASP A 56 -17.202 -2.294 12.156 1.00 0.00 O ATOM 836 CB ASP A 56 -18.672 -3.083 9.628 1.00 0.00 C ATOM 837 CG ASP A 56 -20.074 -2.497 9.727 1.00 0.00 C ATOM 838 OD1 ASP A 56 -20.422 -1.879 10.768 1.00 0.00 O ATOM 839 OD2 ASP A 56 -20.769 -2.442 8.678 1.00 0.00 O ATOM 0 H ASP A 56 -16.119 -3.588 9.727 1.00 0.00 H new ATOM 0 HA ASP A 56 -17.755 -1.174 9.259 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -18.555 -3.544 8.647 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -18.573 -3.878 10.368 1.00 0.00 H new ATOM 844 N ALA A 57 -17.650 -0.218 11.418 1.00 0.00 N ATOM 845 CA ALA A 57 -17.551 0.397 12.705 1.00 0.00 C ATOM 846 C ALA A 57 -18.672 -0.054 13.578 1.00 0.00 C ATOM 847 O ALA A 57 -18.399 -0.567 14.662 1.00 0.00 O ATOM 848 CB ALA A 57 -17.484 1.925 12.544 1.00 0.00 C ATOM 0 H ALA A 57 -17.907 0.427 10.671 1.00 0.00 H new ATOM 0 HA ALA A 57 -16.631 0.088 13.201 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -17.409 2.391 13.526 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -16.610 2.190 11.948 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -18.385 2.278 12.043 1.00 0.00 H new ATOM 854 N ASP A 58 -19.950 0.158 13.217 1.00 0.00 N ATOM 855 CA ASP A 58 -21.119 0.022 14.029 1.00 0.00 C ATOM 856 C ASP A 58 -21.421 -1.391 14.391 1.00 0.00 C ATOM 857 O ASP A 58 -21.790 -1.609 15.543 1.00 0.00 O ATOM 858 CB ASP A 58 -22.386 0.705 13.485 1.00 0.00 C ATOM 859 CG ASP A 58 -22.680 0.320 12.042 1.00 0.00 C ATOM 860 OD1 ASP A 58 -23.167 -0.830 11.878 1.00 0.00 O ATOM 861 OD2 ASP A 58 -22.521 1.164 11.120 1.00 0.00 O ATOM 0 H ASP A 58 -20.184 0.452 12.269 1.00 0.00 H new ATOM 0 HA ASP A 58 -20.842 0.567 14.931 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -23.237 0.436 14.110 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -22.270 1.787 13.553 1.00 0.00 H new ATOM 866 N GLY A 59 -21.093 -2.288 13.443 1.00 0.00 N ATOM 867 CA GLY A 59 -21.154 -3.696 13.684 1.00 0.00 C ATOM 868 C GLY A 59 -22.288 -4.367 12.989 1.00 0.00 C ATOM 869 O GLY A 59 -22.434 -5.572 13.185 1.00 0.00 O ATOM 0 H GLY A 59 -20.784 -2.035 12.504 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -20.218 -4.153 13.362 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -21.241 -3.870 14.757 1.00 0.00 H new ATOM 873 N ASN A 60 -23.094 -3.636 12.197 1.00 0.00 N ATOM 874 CA ASN A 60 -24.123 -4.274 11.436 1.00 0.00 C ATOM 875 C ASN A 60 -23.658 -5.217 10.381 1.00 0.00 C ATOM 876 O ASN A 60 -24.304 -6.218 10.075 1.00 0.00 O ATOM 877 CB ASN A 60 -25.301 -3.360 11.060 1.00 0.00 C ATOM 878 CG ASN A 60 -24.914 -2.248 10.096 1.00 0.00 C ATOM 879 OD1 ASN A 60 -23.885 -2.244 9.422 1.00 0.00 O ATOM 880 ND2 ASN A 60 -25.911 -1.328 9.994 1.00 0.00 N ATOM 0 H ASN A 60 -23.036 -2.624 12.084 1.00 0.00 H new ATOM 0 HA ASN A 60 -24.573 -4.965 12.149 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -26.091 -3.962 10.611 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -25.713 -2.918 11.967 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -25.834 -0.565 9.321 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -26.735 -1.401 10.591 1.00 0.00 H new ATOM 887 N GLY A 61 -22.421 -5.006 9.896 1.00 0.00 N ATOM 888 CA GLY A 61 -21.802 -5.914 8.981 1.00 0.00 C ATOM 889 C GLY A 61 -22.230 -5.717 7.567 1.00 0.00 C ATOM 890 O GLY A 61 -21.820 -6.503 6.715 1.00 0.00 O ATOM 0 H GLY A 61 -21.846 -4.200 10.140 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -20.720 -5.800 9.044 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -22.033 -6.936 9.283 1.00 0.00 H new ATOM 894 N THR A 62 -22.972 -4.643 7.246 1.00 0.00 N ATOM 895 CA THR A 62 -23.151 -4.226 5.890 1.00 0.00 C ATOM 896 C THR A 62 -22.704 -2.806 5.836 1.00 0.00 C ATOM 897 O THR A 62 -23.086 -1.968 6.652 1.00 0.00 O ATOM 898 CB THR A 62 -24.532 -4.381 5.325 1.00 0.00 C ATOM 899 OG1 THR A 62 -25.543 -3.710 6.062 1.00 0.00 O ATOM 900 CG2 THR A 62 -24.880 -5.856 5.060 1.00 0.00 C ATOM 0 H THR A 62 -23.452 -4.059 7.931 1.00 0.00 H new ATOM 0 HA THR A 62 -22.563 -4.888 5.255 1.00 0.00 H new ATOM 0 HB THR A 62 -24.508 -3.871 4.362 1.00 0.00 H new ATOM 0 HG1 THR A 62 -26.412 -3.856 5.633 1.00 0.00 H new ATOM 0 HG21 THR A 62 -25.888 -5.924 4.651 1.00 0.00 H new ATOM 0 HG22 THR A 62 -24.170 -6.275 4.347 1.00 0.00 H new ATOM 0 HG23 THR A 62 -24.828 -6.415 5.994 1.00 0.00 H new ATOM 908 N ILE A 63 -21.819 -2.518 4.865 1.00 0.00 N ATOM 909 CA ILE A 63 -20.925 -1.403 4.908 1.00 0.00 C ATOM 910 C ILE A 63 -21.626 -0.161 4.475 1.00 0.00 C ATOM 911 O ILE A 63 -22.118 0.081 3.375 1.00 0.00 O ATOM 912 CB ILE A 63 -19.701 -1.492 4.046 1.00 0.00 C ATOM 913 CG1 ILE A 63 -19.183 -2.940 3.998 1.00 0.00 C ATOM 914 CG2 ILE A 63 -18.639 -0.531 4.607 1.00 0.00 C ATOM 915 CD1 ILE A 63 -18.011 -3.153 3.040 1.00 0.00 C ATOM 0 H ILE A 63 -21.723 -3.081 4.020 1.00 0.00 H new ATOM 0 HA ILE A 63 -20.600 -1.396 5.948 1.00 0.00 H new ATOM 0 HB ILE A 63 -19.939 -1.202 3.022 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -18.877 -3.238 5.001 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -20.001 -3.598 3.705 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -17.741 -0.582 3.992 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -19.028 0.487 4.597 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -18.395 -0.816 5.630 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -17.706 -4.199 3.065 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -18.316 -2.888 2.028 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -17.174 -2.524 3.343 1.00 0.00 H new ATOM 927 N ASP A 64 -21.724 0.775 5.436 1.00 0.00 N ATOM 928 CA ASP A 64 -22.446 1.999 5.274 1.00 0.00 C ATOM 929 C ASP A 64 -21.619 3.060 4.634 1.00 0.00 C ATOM 930 O ASP A 64 -20.392 3.014 4.718 1.00 0.00 O ATOM 931 CB ASP A 64 -22.899 2.596 6.617 1.00 0.00 C ATOM 932 CG ASP A 64 -23.943 1.647 7.188 1.00 0.00 C ATOM 933 OD1 ASP A 64 -25.090 1.657 6.666 1.00 0.00 O ATOM 934 OD2 ASP A 64 -23.610 0.899 8.145 1.00 0.00 O ATOM 0 H ASP A 64 -21.288 0.678 6.353 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.299 1.726 4.653 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -22.055 2.699 7.299 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -23.318 3.592 6.476 1.00 0.00 H new ATOM 939 N PHE A 65 -22.162 4.187 4.139 1.00 0.00 N ATOM 940 CA PHE A 65 -21.400 5.175 3.441 1.00 0.00 C ATOM 941 C PHE A 65 -20.337 5.859 4.230 1.00 0.00 C ATOM 942 O PHE A 65 -19.224 5.929 3.711 1.00 0.00 O ATOM 943 CB PHE A 65 -22.345 6.164 2.736 1.00 0.00 C ATOM 944 CG PHE A 65 -21.722 7.165 1.826 1.00 0.00 C ATOM 945 CD1 PHE A 65 -21.036 6.748 0.709 1.00 0.00 C ATOM 946 CD2 PHE A 65 -21.718 8.496 2.171 1.00 0.00 C ATOM 947 CE1 PHE A 65 -20.433 7.649 -0.136 1.00 0.00 C ATOM 948 CE2 PHE A 65 -21.228 9.446 1.306 1.00 0.00 C ATOM 949 CZ PHE A 65 -20.606 8.978 0.172 1.00 0.00 C ATOM 0 H PHE A 65 -23.152 4.416 4.226 1.00 0.00 H new ATOM 0 HA PHE A 65 -20.822 4.628 2.696 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -23.069 5.588 2.160 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -22.903 6.703 3.502 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -20.970 5.692 0.492 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -22.104 8.799 3.133 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -19.857 7.331 -0.992 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -21.326 10.503 1.506 1.00 0.00 H new ATOM 0 HZ PHE A 65 -20.226 9.708 -0.528 1.00 0.00 H new ATOM 959 N PRO A 66 -20.379 6.380 5.420 1.00 0.00 N ATOM 960 CA PRO A 66 -19.208 6.980 5.989 1.00 0.00 C ATOM 961 C PRO A 66 -18.153 5.973 6.296 1.00 0.00 C ATOM 962 O PRO A 66 -16.955 6.233 6.202 1.00 0.00 O ATOM 963 CB PRO A 66 -19.747 7.702 7.223 1.00 0.00 C ATOM 964 CG PRO A 66 -21.191 8.074 6.851 1.00 0.00 C ATOM 965 CD PRO A 66 -21.607 6.820 6.066 1.00 0.00 C ATOM 0 HA PRO A 66 -18.700 7.664 5.310 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -19.717 7.060 8.103 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -19.156 8.588 7.454 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -21.816 8.241 7.728 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -21.244 8.979 6.246 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -22.007 6.051 6.727 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -22.383 7.047 5.335 1.00 0.00 H new ATOM 973 N GLU A 67 -18.463 4.712 6.646 1.00 0.00 N ATOM 974 CA GLU A 67 -17.530 3.640 6.807 1.00 0.00 C ATOM 975 C GLU A 67 -16.810 3.276 5.555 1.00 0.00 C ATOM 976 O GLU A 67 -15.657 2.850 5.601 1.00 0.00 O ATOM 977 CB GLU A 67 -18.167 2.356 7.364 1.00 0.00 C ATOM 978 CG GLU A 67 -19.167 2.647 8.485 1.00 0.00 C ATOM 979 CD GLU A 67 -19.927 1.376 8.836 1.00 0.00 C ATOM 980 OE1 GLU A 67 -20.529 0.693 7.965 1.00 0.00 O ATOM 981 OE2 GLU A 67 -20.002 1.051 10.051 1.00 0.00 O ATOM 0 H GLU A 67 -19.424 4.424 6.828 1.00 0.00 H new ATOM 0 HA GLU A 67 -16.818 4.042 7.528 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -18.672 1.824 6.558 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -17.384 1.697 7.740 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -18.644 3.024 9.364 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -19.864 3.424 8.171 1.00 0.00 H new ATOM 988 N PHE A 68 -17.419 3.478 4.373 1.00 0.00 N ATOM 989 CA PHE A 68 -16.849 3.428 3.062 1.00 0.00 C ATOM 990 C PHE A 68 -15.859 4.520 2.842 1.00 0.00 C ATOM 991 O PHE A 68 -14.735 4.395 2.358 1.00 0.00 O ATOM 992 CB PHE A 68 -17.930 3.348 1.971 1.00 0.00 C ATOM 993 CG PHE A 68 -17.327 3.074 0.636 1.00 0.00 C ATOM 994 CD1 PHE A 68 -16.940 1.784 0.356 1.00 0.00 C ATOM 995 CD2 PHE A 68 -16.995 4.098 -0.219 1.00 0.00 C ATOM 996 CE1 PHE A 68 -16.358 1.471 -0.850 1.00 0.00 C ATOM 997 CE2 PHE A 68 -16.404 3.777 -1.419 1.00 0.00 C ATOM 998 CZ PHE A 68 -16.079 2.480 -1.741 1.00 0.00 C ATOM 0 H PHE A 68 -18.414 3.699 4.335 1.00 0.00 H new ATOM 0 HA PHE A 68 -16.282 2.500 2.985 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -18.644 2.562 2.219 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -18.486 4.285 1.937 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -17.095 1.008 1.091 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -17.193 5.127 0.044 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -16.123 0.445 -1.094 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -16.190 4.564 -2.127 1.00 0.00 H new ATOM 0 HZ PHE A 68 -15.608 2.256 -2.687 1.00 0.00 H new ATOM 1008 N LEU A 69 -16.278 5.752 3.181 1.00 0.00 N ATOM 1009 CA LEU A 69 -15.408 6.884 3.265 1.00 0.00 C ATOM 1010 C LEU A 69 -14.219 6.828 4.161 1.00 0.00 C ATOM 1011 O LEU A 69 -13.156 7.341 3.818 1.00 0.00 O ATOM 1012 CB LEU A 69 -16.170 8.163 3.654 1.00 0.00 C ATOM 1013 CG LEU A 69 -17.409 8.417 2.780 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -18.134 9.663 3.316 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -17.048 8.720 1.315 1.00 0.00 C ATOM 0 H LEU A 69 -17.250 5.967 3.403 1.00 0.00 H new ATOM 0 HA LEU A 69 -15.017 6.881 2.247 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -16.477 8.092 4.697 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -15.497 9.017 3.577 1.00 0.00 H new ATOM 0 HG LEU A 69 -18.019 7.515 2.817 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -19.017 9.860 2.708 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -18.436 9.492 4.349 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -17.464 10.521 3.271 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -17.960 8.891 0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -16.420 9.610 1.272 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -16.508 7.874 0.891 1.00 0.00 H new ATOM 1027 N THR A 70 -14.371 6.173 5.326 1.00 0.00 N ATOM 1028 CA THR A 70 -13.343 5.696 6.199 1.00 0.00 C ATOM 1029 C THR A 70 -12.362 4.827 5.490 1.00 0.00 C ATOM 1030 O THR A 70 -11.162 5.090 5.549 1.00 0.00 O ATOM 1031 CB THR A 70 -13.813 5.047 7.466 1.00 0.00 C ATOM 1032 OG1 THR A 70 -14.635 6.009 8.112 1.00 0.00 O ATOM 1033 CG2 THR A 70 -12.639 4.572 8.339 1.00 0.00 C ATOM 0 H THR A 70 -15.300 5.959 5.688 1.00 0.00 H new ATOM 0 HA THR A 70 -12.843 6.609 6.521 1.00 0.00 H new ATOM 0 HB THR A 70 -14.379 4.137 7.265 1.00 0.00 H new ATOM 0 HG1 THR A 70 -15.492 6.076 7.642 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.025 4.108 9.247 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.044 3.846 7.785 1.00 0.00 H new ATOM 0 HG23 THR A 70 -12.015 5.425 8.605 1.00 0.00 H new ATOM 1041 N MET A 71 -12.831 3.878 4.661 1.00 0.00 N ATOM 1042 CA MET A 71 -11.975 2.990 3.936 1.00 0.00 C ATOM 1043 C MET A 71 -11.257 3.670 2.821 1.00 0.00 C ATOM 1044 O MET A 71 -10.074 3.398 2.620 1.00 0.00 O ATOM 1045 CB MET A 71 -12.694 1.764 3.349 1.00 0.00 C ATOM 1046 CG MET A 71 -13.341 0.774 4.319 1.00 0.00 C ATOM 1047 SD MET A 71 -14.769 -0.178 3.721 1.00 0.00 S ATOM 1048 CE MET A 71 -14.164 -0.503 2.040 1.00 0.00 C ATOM 0 H MET A 71 -13.825 3.724 4.490 1.00 0.00 H new ATOM 0 HA MET A 71 -11.267 2.651 4.692 1.00 0.00 H new ATOM 0 HB2 MET A 71 -13.470 2.124 2.674 1.00 0.00 H new ATOM 0 HB3 MET A 71 -11.974 1.214 2.743 1.00 0.00 H new ATOM 0 HG2 MET A 71 -12.575 0.067 4.638 1.00 0.00 H new ATOM 0 HG3 MET A 71 -13.653 1.327 5.205 1.00 0.00 H new ATOM 0 HE1 MET A 71 -14.702 -1.352 1.617 1.00 0.00 H new ATOM 0 HE2 MET A 71 -14.328 0.377 1.418 1.00 0.00 H new ATOM 0 HE3 MET A 71 -13.098 -0.729 2.074 1.00 0.00 H new ATOM 1058 N MET A 72 -11.917 4.613 2.125 1.00 0.00 N ATOM 1059 CA MET A 72 -11.292 5.424 1.126 1.00 0.00 C ATOM 1060 C MET A 72 -10.291 6.413 1.614 1.00 0.00 C ATOM 1061 O MET A 72 -9.238 6.683 1.037 1.00 0.00 O ATOM 1062 CB MET A 72 -12.325 6.286 0.381 1.00 0.00 C ATOM 1063 CG MET A 72 -13.372 5.475 -0.383 1.00 0.00 C ATOM 1064 SD MET A 72 -12.803 4.875 -2.002 1.00 0.00 S ATOM 1065 CE MET A 72 -12.536 3.181 -1.403 1.00 0.00 C ATOM 0 H MET A 72 -12.907 4.817 2.259 1.00 0.00 H new ATOM 0 HA MET A 72 -10.795 4.675 0.509 1.00 0.00 H new ATOM 0 HB2 MET A 72 -12.832 6.930 1.099 1.00 0.00 H new ATOM 0 HB3 MET A 72 -11.803 6.938 -0.319 1.00 0.00 H new ATOM 0 HG2 MET A 72 -13.671 4.621 0.225 1.00 0.00 H new ATOM 0 HG3 MET A 72 -14.260 6.090 -0.526 1.00 0.00 H new ATOM 0 HE1 MET A 72 -12.466 2.502 -2.252 1.00 0.00 H new ATOM 0 HE2 MET A 72 -11.611 3.140 -0.828 1.00 0.00 H new ATOM 0 HE3 MET A 72 -13.371 2.884 -0.769 1.00 0.00 H new ATOM 1075 N ALA A 73 -10.534 6.884 2.850 1.00 0.00 N ATOM 1076 CA ALA A 73 -9.614 7.729 3.545 1.00 0.00 C ATOM 1077 C ALA A 73 -8.344 7.090 3.991 1.00 0.00 C ATOM 1078 O ALA A 73 -7.264 7.603 3.700 1.00 0.00 O ATOM 1079 CB ALA A 73 -10.363 8.378 4.721 1.00 0.00 C ATOM 0 H ALA A 73 -11.383 6.675 3.375 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.268 8.472 2.827 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.683 9.030 5.270 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.200 8.964 4.341 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.738 7.601 5.387 1.00 0.00 H new ATOM 1234 N GLU A 83 5.362 12.456 2.484 1.00 0.00 N ATOM 1235 CA GLU A 83 4.976 12.993 3.752 1.00 0.00 C ATOM 1236 C GLU A 83 4.491 11.996 4.747 1.00 0.00 C ATOM 1237 O GLU A 83 4.752 12.007 5.949 1.00 0.00 O ATOM 1238 CB GLU A 83 3.853 14.017 3.517 1.00 0.00 C ATOM 1239 CG GLU A 83 4.159 15.295 2.734 1.00 0.00 C ATOM 1240 CD GLU A 83 5.334 16.159 3.169 1.00 0.00 C ATOM 1241 OE1 GLU A 83 6.454 15.926 2.640 1.00 0.00 O ATOM 1242 OE2 GLU A 83 5.231 17.123 3.974 1.00 0.00 O ATOM 0 HA GLU A 83 5.879 13.429 4.179 1.00 0.00 H new ATOM 0 HB2 GLU A 83 3.043 13.502 3.001 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.471 14.314 4.494 1.00 0.00 H new ATOM 0 HG2 GLU A 83 4.324 15.013 1.694 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.265 15.918 2.757 1.00 0.00 H new ATOM 1249 N GLU A 84 3.727 11.008 4.245 1.00 0.00 N ATOM 1250 CA GLU A 84 3.148 10.047 5.131 1.00 0.00 C ATOM 1251 C GLU A 84 4.087 9.025 5.672 1.00 0.00 C ATOM 1252 O GLU A 84 3.855 8.428 6.722 1.00 0.00 O ATOM 1253 CB GLU A 84 1.997 9.324 4.412 1.00 0.00 C ATOM 1254 CG GLU A 84 0.850 10.247 3.995 1.00 0.00 C ATOM 1255 CD GLU A 84 0.114 11.070 5.042 1.00 0.00 C ATOM 1256 OE1 GLU A 84 0.056 10.628 6.220 1.00 0.00 O ATOM 1257 OE2 GLU A 84 -0.424 12.157 4.698 1.00 0.00 O ATOM 0 H GLU A 84 3.515 10.876 3.256 1.00 0.00 H new ATOM 0 HA GLU A 84 2.807 10.622 5.992 1.00 0.00 H new ATOM 0 HB2 GLU A 84 2.391 8.827 3.526 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.605 8.546 5.066 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.247 10.943 3.256 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.108 9.632 3.486 1.00 0.00 H new ATOM 1264 N ILE A 85 5.145 8.714 4.902 1.00 0.00 N ATOM 1265 CA ILE A 85 6.227 7.805 5.119 1.00 0.00 C ATOM 1266 C ILE A 85 7.206 8.489 6.010 1.00 0.00 C ATOM 1267 O ILE A 85 7.854 7.860 6.845 1.00 0.00 O ATOM 1268 CB ILE A 85 6.780 7.183 3.871 1.00 0.00 C ATOM 1269 CG1 ILE A 85 7.628 8.118 2.992 1.00 0.00 C ATOM 1270 CG2 ILE A 85 5.583 6.568 3.126 1.00 0.00 C ATOM 1271 CD1 ILE A 85 8.054 7.544 1.641 1.00 0.00 C ATOM 0 H ILE A 85 5.251 9.171 3.996 1.00 0.00 H new ATOM 0 HA ILE A 85 5.873 6.908 5.628 1.00 0.00 H new ATOM 0 HB ILE A 85 7.509 6.421 4.145 1.00 0.00 H new ATOM 0 HG12 ILE A 85 7.064 9.034 2.816 1.00 0.00 H new ATOM 0 HG13 ILE A 85 8.524 8.397 3.547 1.00 0.00 H new ATOM 0 HG21 ILE A 85 5.930 6.099 2.205 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.107 5.818 3.758 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.863 7.350 2.886 1.00 0.00 H new ATOM 0 HD11 ILE A 85 8.646 8.283 1.102 1.00 0.00 H new ATOM 0 HD12 ILE A 85 8.651 6.646 1.799 1.00 0.00 H new ATOM 0 HD13 ILE A 85 7.169 7.293 1.057 1.00 0.00 H new ATOM 1283 N ARG A 86 7.309 9.828 5.938 1.00 0.00 N ATOM 1284 CA ARG A 86 8.012 10.575 6.934 1.00 0.00 C ATOM 1285 C ARG A 86 7.415 10.409 8.289 1.00 0.00 C ATOM 1286 O ARG A 86 8.069 10.031 9.260 1.00 0.00 O ATOM 1287 CB ARG A 86 8.257 12.043 6.546 1.00 0.00 C ATOM 1288 CG ARG A 86 9.212 12.798 7.473 1.00 0.00 C ATOM 1289 CD ARG A 86 9.393 14.304 7.266 1.00 0.00 C ATOM 1290 NE ARG A 86 10.015 14.518 5.929 1.00 0.00 N ATOM 1291 CZ ARG A 86 9.255 14.868 4.851 1.00 0.00 C ATOM 1292 NH1 ARG A 86 7.892 14.924 4.801 1.00 0.00 N ATOM 1293 NH2 ARG A 86 9.946 15.055 3.689 1.00 0.00 N ATOM 0 H ARG A 86 6.906 10.393 5.191 1.00 0.00 H new ATOM 0 HA ARG A 86 9.009 10.139 6.988 1.00 0.00 H new ATOM 0 HB2 ARG A 86 8.655 12.075 5.532 1.00 0.00 H new ATOM 0 HB3 ARG A 86 7.300 12.565 6.529 1.00 0.00 H new ATOM 0 HG2 ARG A 86 8.872 12.643 8.497 1.00 0.00 H new ATOM 0 HG3 ARG A 86 10.194 12.332 7.389 1.00 0.00 H new ATOM 0 HD2 ARG A 86 8.431 14.814 7.324 1.00 0.00 H new ATOM 0 HD3 ARG A 86 10.024 14.723 8.050 1.00 0.00 H new ATOM 0 HE ARG A 86 11.022 14.401 5.818 1.00 0.00 H new ATOM 0 HH11 ARG A 86 7.341 14.690 5.627 1.00 0.00 H new ATOM 0 HH12 ARG A 86 7.424 15.200 3.938 1.00 0.00 H new ATOM 0 HH21 ARG A 86 10.958 14.931 3.672 1.00 0.00 H new ATOM 0 HH22 ARG A 86 9.450 15.318 2.837 1.00 0.00 H new ATOM 1307 N GLU A 87 6.089 10.632 8.340 1.00 0.00 N ATOM 1308 CA GLU A 87 5.381 10.241 9.519 1.00 0.00 C ATOM 1309 C GLU A 87 5.580 8.814 9.900 1.00 0.00 C ATOM 1310 O GLU A 87 5.801 8.515 11.072 1.00 0.00 O ATOM 1311 CB GLU A 87 3.947 10.795 9.544 1.00 0.00 C ATOM 1312 CG GLU A 87 3.147 10.294 10.747 1.00 0.00 C ATOM 1313 CD GLU A 87 1.994 11.154 11.247 1.00 0.00 C ATOM 1314 OE1 GLU A 87 2.015 12.406 11.105 1.00 0.00 O ATOM 1315 OE2 GLU A 87 0.982 10.497 11.609 1.00 0.00 O ATOM 0 H GLU A 87 5.529 11.062 7.604 1.00 0.00 H new ATOM 0 HA GLU A 87 5.848 10.739 10.369 1.00 0.00 H new ATOM 0 HB2 GLU A 87 3.982 11.884 9.563 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.434 10.509 8.626 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.747 9.312 10.496 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.842 10.153 11.575 1.00 0.00 H new ATOM 1322 N ALA A 88 5.365 7.797 9.046 1.00 0.00 N ATOM 1323 CA ALA A 88 5.361 6.390 9.301 1.00 0.00 C ATOM 1324 C ALA A 88 6.672 5.796 9.686 1.00 0.00 C ATOM 1325 O ALA A 88 6.745 4.729 10.294 1.00 0.00 O ATOM 1326 CB ALA A 88 4.690 5.601 8.164 1.00 0.00 C ATOM 0 H ALA A 88 5.172 7.988 8.063 1.00 0.00 H new ATOM 0 HA ALA A 88 4.752 6.291 10.200 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.709 4.537 8.399 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.657 5.930 8.053 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.228 5.776 7.232 1.00 0.00 H new ATOM 1332 N PHE A 89 7.747 6.497 9.282 1.00 0.00 N ATOM 1333 CA PHE A 89 9.037 6.042 9.697 1.00 0.00 C ATOM 1334 C PHE A 89 9.271 6.003 11.168 1.00 0.00 C ATOM 1335 O PHE A 89 9.827 5.048 11.708 1.00 0.00 O ATOM 1336 CB PHE A 89 10.126 6.925 9.065 1.00 0.00 C ATOM 1337 CG PHE A 89 11.522 6.423 9.204 1.00 0.00 C ATOM 1338 CD1 PHE A 89 11.859 5.233 8.604 1.00 0.00 C ATOM 1339 CD2 PHE A 89 12.411 6.969 10.100 1.00 0.00 C ATOM 1340 CE1 PHE A 89 13.136 4.726 8.675 1.00 0.00 C ATOM 1341 CE2 PHE A 89 13.649 6.395 10.272 1.00 0.00 C ATOM 1342 CZ PHE A 89 14.069 5.381 9.443 1.00 0.00 C ATOM 0 H PHE A 89 7.731 7.334 8.700 1.00 0.00 H new ATOM 0 HA PHE A 89 9.081 5.008 9.356 1.00 0.00 H new ATOM 0 HB2 PHE A 89 9.904 7.041 8.004 1.00 0.00 H new ATOM 0 HB3 PHE A 89 10.069 7.917 9.513 1.00 0.00 H new ATOM 0 HD1 PHE A 89 11.103 4.683 8.064 1.00 0.00 H new ATOM 0 HD2 PHE A 89 12.138 7.846 10.667 1.00 0.00 H new ATOM 0 HE1 PHE A 89 13.401 3.828 8.136 1.00 0.00 H new ATOM 0 HE2 PHE A 89 14.296 6.743 11.064 1.00 0.00 H new ATOM 0 HZ PHE A 89 15.112 5.105 9.396 1.00 0.00 H new ATOM 1352 N ARG A 90 8.899 7.081 11.880 1.00 0.00 N ATOM 1353 CA ARG A 90 9.140 7.274 13.277 1.00 0.00 C ATOM 1354 C ARG A 90 8.070 6.568 14.036 1.00 0.00 C ATOM 1355 O ARG A 90 8.296 6.303 15.216 1.00 0.00 O ATOM 1356 CB ARG A 90 9.173 8.764 13.654 1.00 0.00 C ATOM 1357 CG ARG A 90 7.899 9.439 14.167 1.00 0.00 C ATOM 1358 CD ARG A 90 8.181 10.849 14.688 1.00 0.00 C ATOM 1359 NE ARG A 90 8.447 11.884 13.650 1.00 0.00 N ATOM 1360 CZ ARG A 90 7.478 12.522 12.930 1.00 0.00 C ATOM 1361 NH1 ARG A 90 6.168 12.305 13.242 1.00 0.00 N ATOM 1362 NH2 ARG A 90 7.891 13.393 11.963 1.00 0.00 N ATOM 0 H ARG A 90 8.401 7.864 11.456 1.00 0.00 H new ATOM 0 HA ARG A 90 10.119 6.866 13.528 1.00 0.00 H new ATOM 0 HB2 ARG A 90 9.940 8.891 14.418 1.00 0.00 H new ATOM 0 HB3 ARG A 90 9.504 9.316 12.775 1.00 0.00 H new ATOM 0 HG2 ARG A 90 7.163 9.487 13.364 1.00 0.00 H new ATOM 0 HG3 ARG A 90 7.462 8.836 14.964 1.00 0.00 H new ATOM 0 HD2 ARG A 90 7.329 11.172 15.286 1.00 0.00 H new ATOM 0 HD3 ARG A 90 9.040 10.803 15.357 1.00 0.00 H new ATOM 0 HE ARG A 90 9.419 12.133 13.465 1.00 0.00 H new ATOM 0 HH11 ARG A 90 5.923 11.673 14.004 1.00 0.00 H new ATOM 0 HH12 ARG A 90 5.433 12.775 12.713 1.00 0.00 H new ATOM 0 HH21 ARG A 90 8.887 13.544 11.804 1.00 0.00 H new ATOM 0 HH22 ARG A 90 7.203 13.893 11.399 1.00 0.00 H new ATOM 1376 N VAL A 91 6.883 6.347 13.445 1.00 0.00 N ATOM 1377 CA VAL A 91 5.898 5.477 14.010 1.00 0.00 C ATOM 1378 C VAL A 91 6.363 4.074 14.201 1.00 0.00 C ATOM 1379 O VAL A 91 6.007 3.363 15.139 1.00 0.00 O ATOM 1380 CB VAL A 91 4.690 5.424 13.123 1.00 0.00 C ATOM 1381 CG1 VAL A 91 3.761 4.266 13.523 1.00 0.00 C ATOM 1382 CG2 VAL A 91 3.895 6.733 13.266 1.00 0.00 C ATOM 0 H VAL A 91 6.602 6.777 12.564 1.00 0.00 H new ATOM 0 HA VAL A 91 5.675 5.898 14.990 1.00 0.00 H new ATOM 0 HB VAL A 91 5.032 5.280 12.098 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.893 4.251 12.863 1.00 0.00 H new ATOM 0 HG12 VAL A 91 4.299 3.322 13.437 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.432 4.403 14.553 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.016 6.697 12.622 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.581 6.856 14.302 1.00 0.00 H new ATOM 0 HG23 VAL A 91 4.524 7.574 12.975 1.00 0.00 H new ATOM 1392 N PHE A 92 7.205 3.543 13.297 1.00 0.00 N ATOM 1393 CA PHE A 92 7.753 2.232 13.143 1.00 0.00 C ATOM 1394 C PHE A 92 8.944 2.074 14.024 1.00 0.00 C ATOM 1395 O PHE A 92 9.130 0.986 14.566 1.00 0.00 O ATOM 1396 CB PHE A 92 7.963 1.983 11.640 1.00 0.00 C ATOM 1397 CG PHE A 92 6.685 1.782 10.901 1.00 0.00 C ATOM 1398 CD1 PHE A 92 5.404 1.779 11.400 1.00 0.00 C ATOM 1399 CD2 PHE A 92 6.849 1.713 9.537 1.00 0.00 C ATOM 1400 CE1 PHE A 92 4.319 1.564 10.582 1.00 0.00 C ATOM 1401 CE2 PHE A 92 5.785 1.424 8.716 1.00 0.00 C ATOM 1402 CZ PHE A 92 4.508 1.450 9.225 1.00 0.00 C ATOM 0 H PHE A 92 7.556 4.143 12.551 1.00 0.00 H new ATOM 0 HA PHE A 92 7.081 1.443 13.481 1.00 0.00 H new ATOM 0 HB2 PHE A 92 8.497 2.829 11.208 1.00 0.00 H new ATOM 0 HB3 PHE A 92 8.595 1.105 11.507 1.00 0.00 H new ATOM 0 HD1 PHE A 92 5.246 1.949 12.455 1.00 0.00 H new ATOM 0 HD2 PHE A 92 7.824 1.888 9.107 1.00 0.00 H new ATOM 0 HE1 PHE A 92 3.327 1.485 11.002 1.00 0.00 H new ATOM 0 HE2 PHE A 92 5.951 1.178 7.678 1.00 0.00 H new ATOM 0 HZ PHE A 92 3.658 1.381 8.562 1.00 0.00 H new ATOM 1412 N ASP A 93 9.802 3.097 14.192 1.00 0.00 N ATOM 1413 CA ASP A 93 10.962 3.171 15.025 1.00 0.00 C ATOM 1414 C ASP A 93 10.503 3.091 16.440 1.00 0.00 C ATOM 1415 O ASP A 93 9.719 3.901 16.932 1.00 0.00 O ATOM 1416 CB ASP A 93 11.671 4.533 14.927 1.00 0.00 C ATOM 1417 CG ASP A 93 12.960 4.609 15.731 1.00 0.00 C ATOM 1418 OD1 ASP A 93 13.285 3.511 16.255 1.00 0.00 O ATOM 1419 OD2 ASP A 93 13.610 5.688 15.785 1.00 0.00 O ATOM 0 H ASP A 93 9.663 3.970 13.684 1.00 0.00 H new ATOM 0 HA ASP A 93 11.636 2.373 14.714 1.00 0.00 H new ATOM 0 HB2 ASP A 93 11.893 4.743 13.881 1.00 0.00 H new ATOM 0 HB3 ASP A 93 10.991 5.312 15.272 1.00 0.00 H new ATOM 1424 N LYS A 94 10.837 1.978 17.117 1.00 0.00 N ATOM 1425 CA LYS A 94 10.343 1.530 18.382 1.00 0.00 C ATOM 1426 C LYS A 94 10.931 2.325 19.497 1.00 0.00 C ATOM 1427 O LYS A 94 10.284 3.056 20.245 1.00 0.00 O ATOM 1428 CB LYS A 94 10.431 -0.002 18.490 1.00 0.00 C ATOM 1429 CG LYS A 94 9.597 -0.605 19.622 1.00 0.00 C ATOM 1430 CD LYS A 94 9.605 -2.133 19.548 1.00 0.00 C ATOM 1431 CE LYS A 94 8.580 -2.786 20.478 1.00 0.00 C ATOM 1432 NZ LYS A 94 8.566 -4.262 20.375 1.00 0.00 N ATOM 0 H LYS A 94 11.524 1.327 16.737 1.00 0.00 H new ATOM 0 HA LYS A 94 9.275 1.730 18.471 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.109 -0.440 17.545 1.00 0.00 H new ATOM 0 HB3 LYS A 94 11.474 -0.285 18.633 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.993 -0.281 20.584 1.00 0.00 H new ATOM 0 HG3 LYS A 94 8.572 -0.239 19.560 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.404 -2.442 18.522 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.600 -2.498 19.802 1.00 0.00 H new ATOM 0 HE2 LYS A 94 8.798 -2.501 21.507 1.00 0.00 H new ATOM 0 HE3 LYS A 94 7.587 -2.401 20.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 7.734 -4.564 19.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.431 -4.585 19.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 8.523 -4.676 21.328 1.00 0.00 H new ATOM 1446 N ASP A 95 12.274 2.270 19.536 1.00 0.00 N ATOM 1447 CA ASP A 95 13.138 2.852 20.515 1.00 0.00 C ATOM 1448 C ASP A 95 13.162 4.342 20.518 1.00 0.00 C ATOM 1449 O ASP A 95 12.437 5.018 21.247 1.00 0.00 O ATOM 1450 CB ASP A 95 14.459 2.067 20.461 1.00 0.00 C ATOM 1451 CG ASP A 95 15.054 1.955 19.065 1.00 0.00 C ATOM 1452 OD1 ASP A 95 15.491 2.991 18.495 1.00 0.00 O ATOM 1453 OD2 ASP A 95 15.306 0.851 18.511 1.00 0.00 O ATOM 0 H ASP A 95 12.800 1.773 18.817 1.00 0.00 H new ATOM 0 HA ASP A 95 12.755 2.736 21.529 1.00 0.00 H new ATOM 0 HB2 ASP A 95 15.184 2.550 21.116 1.00 0.00 H new ATOM 0 HB3 ASP A 95 14.291 1.065 20.855 1.00 0.00 H new ATOM 1458 N GLY A 96 14.069 4.930 19.717 1.00 0.00 N ATOM 1459 CA GLY A 96 14.195 6.319 19.402 1.00 0.00 C ATOM 1460 C GLY A 96 15.557 6.638 18.889 1.00 0.00 C ATOM 1461 O GLY A 96 16.441 7.075 19.625 1.00 0.00 O ATOM 0 H GLY A 96 14.783 4.375 19.245 1.00 0.00 H new ATOM 0 HA2 GLY A 96 13.450 6.594 18.655 1.00 0.00 H new ATOM 0 HA3 GLY A 96 13.990 6.915 20.291 1.00 0.00 H new ATOM 1465 N ASN A 97 15.755 6.423 17.577 1.00 0.00 N ATOM 1466 CA ASN A 97 17.026 6.594 16.944 1.00 0.00 C ATOM 1467 C ASN A 97 16.952 7.195 15.582 1.00 0.00 C ATOM 1468 O ASN A 97 17.874 7.936 15.244 1.00 0.00 O ATOM 1469 CB ASN A 97 18.085 5.489 17.093 1.00 0.00 C ATOM 1470 CG ASN A 97 17.793 4.197 16.343 1.00 0.00 C ATOM 1471 OD1 ASN A 97 16.751 3.809 15.818 1.00 0.00 O ATOM 1472 ND2 ASN A 97 18.809 3.294 16.396 1.00 0.00 N ATOM 0 H ASN A 97 15.016 6.124 16.941 1.00 0.00 H new ATOM 0 HA ASN A 97 17.461 7.352 17.596 1.00 0.00 H new ATOM 0 HB2 ASN A 97 19.043 5.879 16.750 1.00 0.00 H new ATOM 0 HB3 ASN A 97 18.196 5.257 18.152 1.00 0.00 H new ATOM 0 HD21 ASN A 97 18.680 2.358 16.013 1.00 0.00 H new ATOM 0 HD22 ASN A 97 19.700 3.553 16.819 1.00 0.00 H new ATOM 1479 N GLY A 98 15.962 6.840 14.744 1.00 0.00 N ATOM 1480 CA GLY A 98 15.943 7.340 13.405 1.00 0.00 C ATOM 1481 C GLY A 98 16.259 6.260 12.428 1.00 0.00 C ATOM 1482 O GLY A 98 16.623 6.443 11.268 1.00 0.00 O ATOM 0 H GLY A 98 15.189 6.220 14.986 1.00 0.00 H new ATOM 0 HA2 GLY A 98 14.962 7.760 13.184 1.00 0.00 H new ATOM 0 HA3 GLY A 98 16.666 8.149 13.305 1.00 0.00 H new ATOM 1486 N TYR A 99 16.339 4.999 12.888 1.00 0.00 N ATOM 1487 CA TYR A 99 16.521 3.758 12.202 1.00 0.00 C ATOM 1488 C TYR A 99 15.482 2.793 12.661 1.00 0.00 C ATOM 1489 O TYR A 99 15.063 2.735 13.816 1.00 0.00 O ATOM 1490 CB TYR A 99 17.954 3.261 12.458 1.00 0.00 C ATOM 1491 CG TYR A 99 19.021 4.256 12.156 1.00 0.00 C ATOM 1492 CD1 TYR A 99 19.432 4.406 10.852 1.00 0.00 C ATOM 1493 CD2 TYR A 99 19.434 5.219 13.046 1.00 0.00 C ATOM 1494 CE1 TYR A 99 20.323 5.376 10.456 1.00 0.00 C ATOM 1495 CE2 TYR A 99 20.187 6.312 12.686 1.00 0.00 C ATOM 1496 CZ TYR A 99 20.689 6.300 11.406 1.00 0.00 C ATOM 1497 OH TYR A 99 21.512 7.371 10.997 1.00 0.00 O ATOM 0 H TYR A 99 16.264 4.833 13.892 1.00 0.00 H new ATOM 0 HA TYR A 99 16.400 3.874 11.125 1.00 0.00 H new ATOM 0 HB2 TYR A 99 18.039 2.963 13.503 1.00 0.00 H new ATOM 0 HB3 TYR A 99 18.127 2.369 11.857 1.00 0.00 H new ATOM 0 HD1 TYR A 99 19.038 3.732 10.106 1.00 0.00 H new ATOM 0 HD2 TYR A 99 19.152 5.111 14.083 1.00 0.00 H new ATOM 0 HE1 TYR A 99 20.715 5.410 9.450 1.00 0.00 H new ATOM 0 HE2 TYR A 99 20.373 7.130 13.367 1.00 0.00 H new ATOM 0 HH TYR A 99 21.697 7.953 11.764 1.00 0.00 H new ATOM 1507 N ILE A 100 15.098 1.900 11.732 1.00 0.00 N ATOM 1508 CA ILE A 100 14.197 0.811 11.953 1.00 0.00 C ATOM 1509 C ILE A 100 14.985 -0.443 11.787 1.00 0.00 C ATOM 1510 O ILE A 100 15.217 -0.834 10.644 1.00 0.00 O ATOM 1511 CB ILE A 100 13.119 0.654 10.922 1.00 0.00 C ATOM 1512 CG1 ILE A 100 12.342 1.981 10.909 1.00 0.00 C ATOM 1513 CG2 ILE A 100 12.150 -0.416 11.454 1.00 0.00 C ATOM 1514 CD1 ILE A 100 11.361 2.080 9.742 1.00 0.00 C ATOM 0 H ILE A 100 15.436 1.941 10.771 1.00 0.00 H new ATOM 0 HA ILE A 100 13.747 1.000 12.928 1.00 0.00 H new ATOM 0 HB ILE A 100 13.517 0.394 9.941 1.00 0.00 H new ATOM 0 HG12 ILE A 100 11.796 2.087 11.847 1.00 0.00 H new ATOM 0 HG13 ILE A 100 13.048 2.810 10.856 1.00 0.00 H new ATOM 0 HG21 ILE A 100 11.344 -0.567 10.736 1.00 0.00 H new ATOM 0 HG22 ILE A 100 12.687 -1.353 11.599 1.00 0.00 H new ATOM 0 HG23 ILE A 100 11.731 -0.087 12.405 1.00 0.00 H new ATOM 0 HD11 ILE A 100 10.841 3.037 9.784 1.00 0.00 H new ATOM 0 HD12 ILE A 100 11.906 2.004 8.801 1.00 0.00 H new ATOM 0 HD13 ILE A 100 10.635 1.270 9.807 1.00 0.00 H new ATOM 1526 N SER A 101 15.409 -1.170 12.836 1.00 0.00 N ATOM 1527 CA SER A 101 16.063 -2.441 12.789 1.00 0.00 C ATOM 1528 C SER A 101 15.164 -3.457 12.174 1.00 0.00 C ATOM 1529 O SER A 101 13.940 -3.334 12.218 1.00 0.00 O ATOM 1530 CB SER A 101 16.655 -2.987 14.099 1.00 0.00 C ATOM 1531 OG SER A 101 15.702 -3.338 15.091 1.00 0.00 O ATOM 0 H SER A 101 15.284 -0.841 13.793 1.00 0.00 H new ATOM 0 HA SER A 101 16.943 -2.248 12.175 1.00 0.00 H new ATOM 0 HB2 SER A 101 17.257 -3.866 13.869 1.00 0.00 H new ATOM 0 HB3 SER A 101 17.330 -2.238 14.514 1.00 0.00 H new ATOM 0 HG SER A 101 16.166 -3.675 15.885 1.00 0.00 H new ATOM 1537 N ALA A 102 15.735 -4.491 11.531 1.00 0.00 N ATOM 1538 CA ALA A 102 15.133 -5.694 11.046 1.00 0.00 C ATOM 1539 C ALA A 102 14.237 -6.320 12.059 1.00 0.00 C ATOM 1540 O ALA A 102 13.177 -6.861 11.746 1.00 0.00 O ATOM 1541 CB ALA A 102 16.164 -6.752 10.619 1.00 0.00 C ATOM 0 H ALA A 102 16.735 -4.479 11.330 1.00 0.00 H new ATOM 0 HA ALA A 102 14.557 -5.381 10.175 1.00 0.00 H new ATOM 0 HB1 ALA A 102 15.646 -7.641 10.261 1.00 0.00 H new ATOM 0 HB2 ALA A 102 16.789 -6.350 9.821 1.00 0.00 H new ATOM 0 HB3 ALA A 102 16.789 -7.016 11.472 1.00 0.00 H new ATOM 1547 N ALA A 103 14.473 -6.120 13.368 1.00 0.00 N ATOM 1548 CA ALA A 103 13.630 -6.546 14.441 1.00 0.00 C ATOM 1549 C ALA A 103 12.331 -5.829 14.578 1.00 0.00 C ATOM 1550 O ALA A 103 11.251 -6.419 14.579 1.00 0.00 O ATOM 1551 CB ALA A 103 14.456 -6.410 15.731 1.00 0.00 C ATOM 0 H ALA A 103 15.305 -5.630 13.696 1.00 0.00 H new ATOM 0 HA ALA A 103 13.329 -7.572 14.228 1.00 0.00 H new ATOM 0 HB1 ALA A 103 13.854 -6.725 16.583 1.00 0.00 H new ATOM 0 HB2 ALA A 103 15.344 -7.038 15.662 1.00 0.00 H new ATOM 0 HB3 ALA A 103 14.756 -5.371 15.863 1.00 0.00 H new ATOM 1557 N GLU A 104 12.504 -4.496 14.542 1.00 0.00 N ATOM 1558 CA GLU A 104 11.445 -3.542 14.426 1.00 0.00 C ATOM 1559 C GLU A 104 10.589 -3.757 13.226 1.00 0.00 C ATOM 1560 O GLU A 104 9.370 -3.909 13.287 1.00 0.00 O ATOM 1561 CB GLU A 104 11.935 -2.091 14.573 1.00 0.00 C ATOM 1562 CG GLU A 104 12.737 -1.735 15.826 1.00 0.00 C ATOM 1563 CD GLU A 104 13.503 -0.420 15.817 1.00 0.00 C ATOM 1564 OE1 GLU A 104 14.613 -0.272 15.240 1.00 0.00 O ATOM 1565 OE2 GLU A 104 13.075 0.491 16.575 1.00 0.00 O ATOM 0 H GLU A 104 13.426 -4.063 14.596 1.00 0.00 H new ATOM 0 HA GLU A 104 10.789 -3.720 15.278 1.00 0.00 H new ATOM 0 HB2 GLU A 104 12.549 -1.854 13.704 1.00 0.00 H new ATOM 0 HB3 GLU A 104 11.064 -1.437 14.536 1.00 0.00 H new ATOM 0 HG2 GLU A 104 12.050 -1.719 16.672 1.00 0.00 H new ATOM 0 HG3 GLU A 104 13.450 -2.539 16.009 1.00 0.00 H new ATOM 1572 N LEU A 105 11.277 -3.809 12.071 1.00 0.00 N ATOM 1573 CA LEU A 105 10.571 -4.030 10.848 1.00 0.00 C ATOM 1574 C LEU A 105 9.742 -5.263 10.728 1.00 0.00 C ATOM 1575 O LEU A 105 8.617 -5.161 10.241 1.00 0.00 O ATOM 1576 CB LEU A 105 11.453 -3.845 9.601 1.00 0.00 C ATOM 1577 CG LEU A 105 10.687 -3.348 8.363 1.00 0.00 C ATOM 1578 CD1 LEU A 105 11.474 -2.206 7.700 1.00 0.00 C ATOM 1579 CD2 LEU A 105 10.271 -4.486 7.416 1.00 0.00 C ATOM 0 H LEU A 105 12.288 -3.702 11.983 1.00 0.00 H new ATOM 0 HA LEU A 105 9.832 -3.231 10.899 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.248 -3.136 9.833 1.00 0.00 H new ATOM 0 HB3 LEU A 105 11.932 -4.795 9.363 1.00 0.00 H new ATOM 0 HG LEU A 105 9.729 -2.933 8.677 1.00 0.00 H new ATOM 0 HD11 LEU A 105 10.933 -1.853 6.822 1.00 0.00 H new ATOM 0 HD12 LEU A 105 11.592 -1.386 8.408 1.00 0.00 H new ATOM 0 HD13 LEU A 105 12.457 -2.569 7.398 1.00 0.00 H new ATOM 0 HD21 LEU A 105 9.735 -4.071 6.562 1.00 0.00 H new ATOM 0 HD22 LEU A 105 11.160 -5.011 7.066 1.00 0.00 H new ATOM 0 HD23 LEU A 105 9.623 -5.183 7.947 1.00 0.00 H new ATOM 1591 N ARG A 106 10.244 -6.378 11.288 1.00 0.00 N ATOM 1592 CA ARG A 106 9.471 -7.574 11.424 1.00 0.00 C ATOM 1593 C ARG A 106 8.261 -7.404 12.277 1.00 0.00 C ATOM 1594 O ARG A 106 7.144 -7.775 11.923 1.00 0.00 O ATOM 1595 CB ARG A 106 10.231 -8.811 11.932 1.00 0.00 C ATOM 1596 CG ARG A 106 9.308 -9.853 12.565 1.00 0.00 C ATOM 1597 CD ARG A 106 10.031 -11.172 12.846 1.00 0.00 C ATOM 1598 NE ARG A 106 9.953 -12.097 11.680 1.00 0.00 N ATOM 1599 CZ ARG A 106 10.769 -12.276 10.601 1.00 0.00 C ATOM 1600 NH1 ARG A 106 12.017 -11.738 10.477 1.00 0.00 N ATOM 1601 NH2 ARG A 106 10.463 -13.233 9.677 1.00 0.00 N ATOM 0 H ARG A 106 11.195 -6.451 11.650 1.00 0.00 H new ATOM 0 HA ARG A 106 9.186 -7.761 10.389 1.00 0.00 H new ATOM 0 HB2 ARG A 106 10.771 -9.267 11.102 1.00 0.00 H new ATOM 0 HB3 ARG A 106 10.976 -8.499 12.664 1.00 0.00 H new ATOM 0 HG2 ARG A 106 8.902 -9.458 13.496 1.00 0.00 H new ATOM 0 HG3 ARG A 106 8.463 -10.038 11.902 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.076 -10.972 13.084 1.00 0.00 H new ATOM 0 HD3 ARG A 106 9.591 -11.650 13.721 1.00 0.00 H new ATOM 0 HE ARG A 106 9.138 -12.710 11.690 1.00 0.00 H new ATOM 0 HH11 ARG A 106 12.398 -11.157 11.223 1.00 0.00 H new ATOM 0 HH12 ARG A 106 12.569 -11.917 9.638 1.00 0.00 H new ATOM 0 HH21 ARG A 106 9.629 -13.808 9.796 1.00 0.00 H new ATOM 0 HH22 ARG A 106 11.068 -13.373 8.868 1.00 0.00 H new ATOM 1615 N HIS A 107 8.440 -6.728 13.427 1.00 0.00 N ATOM 1616 CA HIS A 107 7.435 -6.470 14.411 1.00 0.00 C ATOM 1617 C HIS A 107 6.347 -5.616 13.858 1.00 0.00 C ATOM 1618 O HIS A 107 5.162 -5.926 13.966 1.00 0.00 O ATOM 1619 CB HIS A 107 8.056 -5.933 15.712 1.00 0.00 C ATOM 1620 CG HIS A 107 7.081 -5.633 16.812 1.00 0.00 C ATOM 1621 ND1 HIS A 107 6.482 -6.639 17.542 1.00 0.00 N ATOM 1622 CD2 HIS A 107 6.668 -4.459 17.361 1.00 0.00 C ATOM 1623 CE1 HIS A 107 5.726 -5.999 18.474 1.00 0.00 C ATOM 1624 NE2 HIS A 107 5.775 -4.683 18.389 1.00 0.00 N ATOM 0 H HIS A 107 9.346 -6.337 13.685 1.00 0.00 H new ATOM 0 HA HIS A 107 6.958 -7.412 14.682 1.00 0.00 H new ATOM 0 HB2 HIS A 107 8.779 -6.662 16.078 1.00 0.00 H new ATOM 0 HB3 HIS A 107 8.610 -5.023 15.482 1.00 0.00 H new ATOM 0 HD2 HIS A 107 6.995 -3.482 17.036 1.00 0.00 H new ATOM 0 HE1 HIS A 107 5.139 -6.520 19.216 1.00 0.00 H new ATOM 0 HE2 HIS A 107 5.272 -3.995 18.950 1.00 0.00 H new ATOM 1632 N VAL A 108 6.697 -4.555 13.109 1.00 0.00 N ATOM 1633 CA VAL A 108 5.937 -3.550 12.433 1.00 0.00 C ATOM 1634 C VAL A 108 5.062 -4.117 11.368 1.00 0.00 C ATOM 1635 O VAL A 108 3.845 -3.940 11.356 1.00 0.00 O ATOM 1636 CB VAL A 108 6.802 -2.437 11.919 1.00 0.00 C ATOM 1637 CG1 VAL A 108 6.241 -1.487 10.847 1.00 0.00 C ATOM 1638 CG2 VAL A 108 7.451 -1.591 13.027 1.00 0.00 C ATOM 0 H VAL A 108 7.690 -4.380 12.957 1.00 0.00 H new ATOM 0 HA VAL A 108 5.272 -3.114 13.179 1.00 0.00 H new ATOM 0 HB VAL A 108 7.542 -3.044 11.397 1.00 0.00 H new ATOM 0 HG11 VAL A 108 6.995 -0.743 10.589 1.00 0.00 H new ATOM 0 HG12 VAL A 108 5.976 -2.058 9.957 1.00 0.00 H new ATOM 0 HG13 VAL A 108 5.354 -0.985 11.234 1.00 0.00 H new ATOM 0 HG21 VAL A 108 8.060 -0.807 12.577 1.00 0.00 H new ATOM 0 HG22 VAL A 108 6.673 -1.138 13.641 1.00 0.00 H new ATOM 0 HG23 VAL A 108 8.080 -2.227 13.649 1.00 0.00 H new ATOM 1648 N MET A 109 5.699 -4.884 10.465 1.00 0.00 N ATOM 1649 CA MET A 109 4.928 -5.262 9.321 1.00 0.00 C ATOM 1650 C MET A 109 3.972 -6.366 9.617 1.00 0.00 C ATOM 1651 O MET A 109 3.000 -6.633 8.913 1.00 0.00 O ATOM 1652 CB MET A 109 5.748 -5.538 8.050 1.00 0.00 C ATOM 1653 CG MET A 109 6.501 -4.265 7.660 1.00 0.00 C ATOM 1654 SD MET A 109 5.550 -2.746 7.356 1.00 0.00 S ATOM 1655 CE MET A 109 7.124 -1.868 7.135 1.00 0.00 C ATOM 0 H MET A 109 6.661 -5.219 10.512 1.00 0.00 H new ATOM 0 HA MET A 109 4.344 -4.372 9.088 1.00 0.00 H new ATOM 0 HB2 MET A 109 6.450 -6.353 8.224 1.00 0.00 H new ATOM 0 HB3 MET A 109 5.091 -5.851 7.238 1.00 0.00 H new ATOM 0 HG2 MET A 109 7.221 -4.052 8.450 1.00 0.00 H new ATOM 0 HG3 MET A 109 7.073 -4.483 6.758 1.00 0.00 H new ATOM 0 HE1 MET A 109 7.259 -1.153 7.947 1.00 0.00 H new ATOM 0 HE2 MET A 109 7.945 -2.585 7.142 1.00 0.00 H new ATOM 0 HE3 MET A 109 7.114 -1.338 6.183 1.00 0.00 H new ATOM 1665 N THR A 110 4.244 -7.162 10.667 1.00 0.00 N ATOM 1666 CA THR A 110 3.309 -8.027 11.316 1.00 0.00 C ATOM 1667 C THR A 110 2.143 -7.376 11.978 1.00 0.00 C ATOM 1668 O THR A 110 0.993 -7.732 11.725 1.00 0.00 O ATOM 1669 CB THR A 110 4.024 -8.971 12.236 1.00 0.00 C ATOM 1670 OG1 THR A 110 5.058 -9.610 11.501 1.00 0.00 O ATOM 1671 CG2 THR A 110 3.074 -10.070 12.740 1.00 0.00 C ATOM 0 H THR A 110 5.173 -7.203 11.087 1.00 0.00 H new ATOM 0 HA THR A 110 2.840 -8.582 10.504 1.00 0.00 H new ATOM 0 HB THR A 110 4.411 -8.406 13.084 1.00 0.00 H new ATOM 0 HG1 THR A 110 5.876 -9.073 11.553 1.00 0.00 H new ATOM 0 HG21 THR A 110 3.616 -10.742 13.405 1.00 0.00 H new ATOM 0 HG22 THR A 110 2.245 -9.614 13.281 1.00 0.00 H new ATOM 0 HG23 THR A 110 2.687 -10.634 11.891 1.00 0.00 H new ATOM 1679 N ASN A 111 2.399 -6.377 12.841 1.00 0.00 N ATOM 1680 CA ASN A 111 1.344 -5.803 13.617 1.00 0.00 C ATOM 1681 C ASN A 111 0.365 -5.003 12.829 1.00 0.00 C ATOM 1682 O ASN A 111 -0.812 -4.977 13.186 1.00 0.00 O ATOM 1683 CB ASN A 111 1.970 -4.783 14.583 1.00 0.00 C ATOM 1684 CG ASN A 111 2.676 -5.348 15.807 1.00 0.00 C ATOM 1685 OD1 ASN A 111 2.742 -6.523 16.165 1.00 0.00 O ATOM 1686 ND2 ASN A 111 3.341 -4.393 16.512 1.00 0.00 N ATOM 0 H ASN A 111 3.321 -5.972 13.000 1.00 0.00 H new ATOM 0 HA ASN A 111 0.831 -6.644 14.084 1.00 0.00 H new ATOM 0 HB2 ASN A 111 2.686 -4.180 14.025 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.184 -4.110 14.924 1.00 0.00 H new ATOM 0 HD21 ASN A 111 3.890 -4.653 17.331 1.00 0.00 H new ATOM 0 HD22 ASN A 111 3.291 -3.417 16.221 1.00 0.00 H new ATOM 1693 N LEU A 112 0.803 -4.297 11.771 1.00 0.00 N ATOM 1694 CA LEU A 112 0.206 -3.248 11.003 1.00 0.00 C ATOM 1695 C LEU A 112 -1.203 -3.473 10.574 1.00 0.00 C ATOM 1696 O LEU A 112 -2.023 -2.645 10.965 1.00 0.00 O ATOM 1697 CB LEU A 112 1.069 -2.885 9.783 1.00 0.00 C ATOM 1698 CG LEU A 112 0.845 -1.518 9.115 1.00 0.00 C ATOM 1699 CD1 LEU A 112 1.200 -0.494 10.206 1.00 0.00 C ATOM 1700 CD2 LEU A 112 1.636 -1.447 7.798 1.00 0.00 C ATOM 0 H LEU A 112 1.730 -4.503 11.399 1.00 0.00 H new ATOM 0 HA LEU A 112 0.164 -2.414 11.703 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.114 -2.940 10.087 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.916 -3.654 9.026 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.174 -1.316 8.786 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.068 0.515 9.815 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.547 -0.638 11.066 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.237 -0.632 10.511 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.474 -0.477 7.328 1.00 0.00 H new ATOM 0 HD22 LEU A 112 2.698 -1.578 8.004 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.297 -2.236 7.127 1.00 0.00 H new ATOM 1712 N GLY A 113 -1.551 -4.647 10.017 1.00 0.00 N ATOM 1713 CA GLY A 113 -2.879 -5.018 9.640 1.00 0.00 C ATOM 1714 C GLY A 113 -3.146 -6.354 9.036 1.00 0.00 C ATOM 1715 O GLY A 113 -3.793 -7.242 9.588 1.00 0.00 O ATOM 0 H GLY A 113 -0.867 -5.377 9.819 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -3.501 -4.937 10.531 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -3.235 -4.268 8.934 1.00 0.00 H new ATOM 1719 N GLU A 114 -2.695 -6.490 7.776 1.00 0.00 N ATOM 1720 CA GLU A 114 -2.976 -7.569 6.880 1.00 0.00 C ATOM 1721 C GLU A 114 -2.047 -8.694 7.181 1.00 0.00 C ATOM 1722 O GLU A 114 -1.019 -8.469 7.818 1.00 0.00 O ATOM 1723 CB GLU A 114 -3.082 -7.052 5.436 1.00 0.00 C ATOM 1724 CG GLU A 114 -4.159 -7.753 4.605 1.00 0.00 C ATOM 1725 CD GLU A 114 -3.712 -9.032 3.913 1.00 0.00 C ATOM 1726 OE1 GLU A 114 -3.113 -8.847 2.820 1.00 0.00 O ATOM 1727 OE2 GLU A 114 -3.942 -10.155 4.437 1.00 0.00 O ATOM 0 H GLU A 114 -2.086 -5.790 7.352 1.00 0.00 H new ATOM 0 HA GLU A 114 -3.962 -8.010 7.025 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -3.292 -5.983 5.458 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -2.118 -7.178 4.944 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -5.003 -7.986 5.255 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -4.522 -7.057 3.849 1.00 0.00 H new ATOM 1734 N LYS A 115 -2.297 -9.949 6.766 1.00 0.00 N ATOM 1735 CA LYS A 115 -1.411 -11.034 7.055 1.00 0.00 C ATOM 1736 C LYS A 115 -0.176 -11.101 6.224 1.00 0.00 C ATOM 1737 O LYS A 115 -0.248 -11.025 4.999 1.00 0.00 O ATOM 1738 CB LYS A 115 -2.172 -12.369 7.003 1.00 0.00 C ATOM 1739 CG LYS A 115 -3.226 -12.624 8.082 1.00 0.00 C ATOM 1740 CD LYS A 115 -3.715 -14.068 7.953 1.00 0.00 C ATOM 1741 CE LYS A 115 -5.139 -14.385 8.414 1.00 0.00 C ATOM 1742 NZ LYS A 115 -6.204 -13.929 7.494 1.00 0.00 N ATOM 0 H LYS A 115 -3.121 -10.214 6.225 1.00 0.00 H new ATOM 0 HA LYS A 115 -1.048 -10.837 8.064 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -2.661 -12.440 6.032 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -1.440 -13.175 7.051 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -2.803 -12.455 9.072 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -4.059 -11.931 7.969 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -3.630 -14.358 6.906 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -3.032 -14.704 8.516 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -5.231 -15.463 8.548 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -5.301 -13.927 9.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -7.133 -14.185 7.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -6.148 -12.897 7.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -6.081 -14.384 6.567 1.00 0.00 H new ATOM 1756 N LEU A 116 1.030 -11.032 6.816 1.00 0.00 N ATOM 1757 CA LEU A 116 2.241 -11.227 6.080 1.00 0.00 C ATOM 1758 C LEU A 116 2.836 -12.462 6.666 1.00 0.00 C ATOM 1759 O LEU A 116 2.883 -12.647 7.881 1.00 0.00 O ATOM 1760 CB LEU A 116 3.146 -9.984 6.116 1.00 0.00 C ATOM 1761 CG LEU A 116 2.816 -8.876 5.102 1.00 0.00 C ATOM 1762 CD1 LEU A 116 3.597 -7.610 5.494 1.00 0.00 C ATOM 1763 CD2 LEU A 116 3.208 -9.311 3.680 1.00 0.00 C ATOM 0 H LEU A 116 1.167 -10.840 7.808 1.00 0.00 H new ATOM 0 HA LEU A 116 2.079 -11.360 5.010 1.00 0.00 H new ATOM 0 HB2 LEU A 116 3.102 -9.556 7.118 1.00 0.00 H new ATOM 0 HB3 LEU A 116 4.175 -10.304 5.951 1.00 0.00 H new ATOM 0 HG LEU A 116 1.744 -8.678 5.113 1.00 0.00 H new ATOM 0 HD11 LEU A 116 3.376 -6.812 4.785 1.00 0.00 H new ATOM 0 HD12 LEU A 116 3.304 -7.297 6.496 1.00 0.00 H new ATOM 0 HD13 LEU A 116 4.666 -7.823 5.479 1.00 0.00 H new ATOM 0 HD21 LEU A 116 2.967 -8.514 2.976 1.00 0.00 H new ATOM 0 HD22 LEU A 116 4.278 -9.515 3.644 1.00 0.00 H new ATOM 0 HD23 LEU A 116 2.657 -10.212 3.410 1.00 0.00 H new ATOM 1775 N THR A 117 3.383 -13.398 5.871 1.00 0.00 N ATOM 1776 CA THR A 117 4.063 -14.577 6.309 1.00 0.00 C ATOM 1777 C THR A 117 5.376 -14.081 6.809 1.00 0.00 C ATOM 1778 O THR A 117 5.722 -12.936 6.525 1.00 0.00 O ATOM 1779 CB THR A 117 4.227 -15.638 5.260 1.00 0.00 C ATOM 1780 OG1 THR A 117 5.013 -15.285 4.132 1.00 0.00 O ATOM 1781 CG2 THR A 117 2.814 -16.032 4.797 1.00 0.00 C ATOM 0 H THR A 117 3.347 -13.326 4.854 1.00 0.00 H new ATOM 0 HA THR A 117 3.477 -15.090 7.071 1.00 0.00 H new ATOM 0 HB THR A 117 4.781 -16.455 5.723 1.00 0.00 H new ATOM 0 HG1 THR A 117 5.057 -16.044 3.514 1.00 0.00 H new ATOM 0 HG21 THR A 117 2.884 -16.804 4.031 1.00 0.00 H new ATOM 0 HG22 THR A 117 2.246 -16.413 5.646 1.00 0.00 H new ATOM 0 HG23 THR A 117 2.309 -15.158 4.386 1.00 0.00 H new ATOM 1789 N ASP A 118 6.115 -14.876 7.604 1.00 0.00 N ATOM 1790 CA ASP A 118 7.466 -14.567 7.958 1.00 0.00 C ATOM 1791 C ASP A 118 8.339 -14.492 6.753 1.00 0.00 C ATOM 1792 O ASP A 118 9.136 -13.558 6.681 1.00 0.00 O ATOM 1793 CB ASP A 118 8.052 -15.642 8.889 1.00 0.00 C ATOM 1794 CG ASP A 118 7.686 -15.254 10.315 1.00 0.00 C ATOM 1795 OD1 ASP A 118 8.201 -14.207 10.791 1.00 0.00 O ATOM 1796 OD2 ASP A 118 6.913 -16.000 10.973 1.00 0.00 O ATOM 0 H ASP A 118 5.769 -15.747 8.007 1.00 0.00 H new ATOM 0 HA ASP A 118 7.441 -13.601 8.462 1.00 0.00 H new ATOM 0 HB2 ASP A 118 7.649 -16.625 8.643 1.00 0.00 H new ATOM 0 HB3 ASP A 118 9.134 -15.703 8.773 1.00 0.00 H new ATOM 1801 N GLU A 119 8.211 -15.333 5.712 1.00 0.00 N ATOM 1802 CA GLU A 119 9.053 -15.263 4.558 1.00 0.00 C ATOM 1803 C GLU A 119 8.991 -13.988 3.789 1.00 0.00 C ATOM 1804 O GLU A 119 9.987 -13.430 3.330 1.00 0.00 O ATOM 1805 CB GLU A 119 8.695 -16.397 3.583 1.00 0.00 C ATOM 1806 CG GLU A 119 8.929 -17.820 4.092 1.00 0.00 C ATOM 1807 CD GLU A 119 8.531 -18.893 3.088 1.00 0.00 C ATOM 1808 OE1 GLU A 119 7.306 -19.016 2.819 1.00 0.00 O ATOM 1809 OE2 GLU A 119 9.439 -19.635 2.628 1.00 0.00 O ATOM 0 H GLU A 119 7.511 -16.074 5.670 1.00 0.00 H new ATOM 0 HA GLU A 119 10.063 -15.344 4.960 1.00 0.00 H new ATOM 0 HB2 GLU A 119 7.644 -16.298 3.312 1.00 0.00 H new ATOM 0 HB3 GLU A 119 9.274 -16.260 2.670 1.00 0.00 H new ATOM 0 HG2 GLU A 119 9.983 -17.940 4.342 1.00 0.00 H new ATOM 0 HG3 GLU A 119 8.364 -17.966 5.013 1.00 0.00 H new ATOM 1816 N GLU A 120 7.746 -13.493 3.678 1.00 0.00 N ATOM 1817 CA GLU A 120 7.474 -12.222 3.081 1.00 0.00 C ATOM 1818 C GLU A 120 8.041 -11.060 3.821 1.00 0.00 C ATOM 1819 O GLU A 120 8.754 -10.207 3.293 1.00 0.00 O ATOM 1820 CB GLU A 120 5.990 -11.867 2.894 1.00 0.00 C ATOM 1821 CG GLU A 120 5.650 -10.729 1.930 1.00 0.00 C ATOM 1822 CD GLU A 120 5.994 -11.128 0.502 1.00 0.00 C ATOM 1823 OE1 GLU A 120 7.184 -11.353 0.153 1.00 0.00 O ATOM 1824 OE2 GLU A 120 5.075 -11.299 -0.342 1.00 0.00 O ATOM 0 H GLU A 120 6.914 -13.983 4.008 1.00 0.00 H new ATOM 0 HA GLU A 120 7.955 -12.371 2.114 1.00 0.00 H new ATOM 0 HB2 GLU A 120 5.471 -12.763 2.553 1.00 0.00 H new ATOM 0 HB3 GLU A 120 5.580 -11.613 3.871 1.00 0.00 H new ATOM 0 HG2 GLU A 120 4.590 -10.486 2.002 1.00 0.00 H new ATOM 0 HG3 GLU A 120 6.202 -9.831 2.207 1.00 0.00 H new ATOM 1831 N VAL A 121 7.865 -10.992 5.153 1.00 0.00 N ATOM 1832 CA VAL A 121 8.577 -10.133 6.047 1.00 0.00 C ATOM 1833 C VAL A 121 10.063 -10.136 5.943 1.00 0.00 C ATOM 1834 O VAL A 121 10.722 -9.150 5.616 1.00 0.00 O ATOM 1835 CB VAL A 121 8.091 -10.401 7.440 1.00 0.00 C ATOM 1836 CG1 VAL A 121 8.887 -9.596 8.481 1.00 0.00 C ATOM 1837 CG2 VAL A 121 6.632 -9.916 7.483 1.00 0.00 C ATOM 0 H VAL A 121 7.181 -11.575 5.635 1.00 0.00 H new ATOM 0 HA VAL A 121 8.348 -9.112 5.742 1.00 0.00 H new ATOM 0 HB VAL A 121 8.202 -11.460 7.673 1.00 0.00 H new ATOM 0 HG11 VAL A 121 8.507 -9.816 9.479 1.00 0.00 H new ATOM 0 HG12 VAL A 121 9.940 -9.870 8.425 1.00 0.00 H new ATOM 0 HG13 VAL A 121 8.778 -8.531 8.278 1.00 0.00 H new ATOM 0 HG21 VAL A 121 6.221 -10.086 8.478 1.00 0.00 H new ATOM 0 HG22 VAL A 121 6.596 -8.851 7.252 1.00 0.00 H new ATOM 0 HG23 VAL A 121 6.044 -10.467 6.749 1.00 0.00 H new ATOM 1847 N ASP A 122 10.748 -11.282 6.110 1.00 0.00 N ATOM 1848 CA ASP A 122 12.155 -11.370 5.872 1.00 0.00 C ATOM 1849 C ASP A 122 12.612 -10.871 4.544 1.00 0.00 C ATOM 1850 O ASP A 122 13.576 -10.109 4.521 1.00 0.00 O ATOM 1851 CB ASP A 122 12.651 -12.814 6.059 1.00 0.00 C ATOM 1852 CG ASP A 122 12.700 -13.213 7.527 1.00 0.00 C ATOM 1853 OD1 ASP A 122 13.256 -12.393 8.305 1.00 0.00 O ATOM 1854 OD2 ASP A 122 12.206 -14.323 7.860 1.00 0.00 O ATOM 0 H ASP A 122 10.321 -12.157 6.414 1.00 0.00 H new ATOM 0 HA ASP A 122 12.592 -10.702 6.614 1.00 0.00 H new ATOM 0 HB2 ASP A 122 11.994 -13.496 5.519 1.00 0.00 H new ATOM 0 HB3 ASP A 122 13.644 -12.916 5.622 1.00 0.00 H new ATOM 1859 N GLU A 123 12.047 -11.244 3.382 1.00 0.00 N ATOM 1860 CA GLU A 123 12.303 -10.635 2.113 1.00 0.00 C ATOM 1861 C GLU A 123 12.002 -9.182 1.977 1.00 0.00 C ATOM 1862 O GLU A 123 12.726 -8.435 1.321 1.00 0.00 O ATOM 1863 CB GLU A 123 11.388 -11.370 1.119 1.00 0.00 C ATOM 1864 CG GLU A 123 11.696 -11.137 -0.362 1.00 0.00 C ATOM 1865 CD GLU A 123 11.152 -12.143 -1.365 1.00 0.00 C ATOM 1866 OE1 GLU A 123 10.705 -13.284 -1.070 1.00 0.00 O ATOM 1867 OE2 GLU A 123 11.186 -11.750 -2.562 1.00 0.00 O ATOM 0 H GLU A 123 11.377 -12.011 3.325 1.00 0.00 H new ATOM 0 HA GLU A 123 13.378 -10.714 1.948 1.00 0.00 H new ATOM 0 HB2 GLU A 123 11.448 -12.440 1.320 1.00 0.00 H new ATOM 0 HB3 GLU A 123 10.358 -11.068 1.309 1.00 0.00 H new ATOM 0 HG2 GLU A 123 11.313 -10.153 -0.633 1.00 0.00 H new ATOM 0 HG3 GLU A 123 12.779 -11.101 -0.477 1.00 0.00 H new ATOM 1874 N MET A 124 10.996 -8.634 2.681 1.00 0.00 N ATOM 1875 CA MET A 124 10.677 -7.252 2.866 1.00 0.00 C ATOM 1876 C MET A 124 11.757 -6.539 3.605 1.00 0.00 C ATOM 1877 O MET A 124 12.155 -5.429 3.254 1.00 0.00 O ATOM 1878 CB MET A 124 9.296 -6.939 3.466 1.00 0.00 C ATOM 1879 CG MET A 124 8.866 -5.471 3.478 1.00 0.00 C ATOM 1880 SD MET A 124 7.241 -5.092 4.201 1.00 0.00 S ATOM 1881 CE MET A 124 6.265 -6.013 2.978 1.00 0.00 C ATOM 0 H MET A 124 10.332 -9.230 3.176 1.00 0.00 H new ATOM 0 HA MET A 124 10.610 -6.869 1.848 1.00 0.00 H new ATOM 0 HB2 MET A 124 8.548 -7.507 2.913 1.00 0.00 H new ATOM 0 HB3 MET A 124 9.280 -7.306 4.492 1.00 0.00 H new ATOM 0 HG2 MET A 124 9.620 -4.902 4.022 1.00 0.00 H new ATOM 0 HG3 MET A 124 8.872 -5.108 2.450 1.00 0.00 H new ATOM 0 HE1 MET A 124 5.367 -5.448 2.729 1.00 0.00 H new ATOM 0 HE2 MET A 124 6.860 -6.164 2.077 1.00 0.00 H new ATOM 0 HE3 MET A 124 5.982 -6.980 3.393 1.00 0.00 H new ATOM 1891 N ILE A 125 12.297 -7.137 4.682 1.00 0.00 N ATOM 1892 CA ILE A 125 13.430 -6.622 5.386 1.00 0.00 C ATOM 1893 C ILE A 125 14.663 -6.615 4.550 1.00 0.00 C ATOM 1894 O ILE A 125 15.271 -5.569 4.326 1.00 0.00 O ATOM 1895 CB ILE A 125 13.711 -7.375 6.652 1.00 0.00 C ATOM 1896 CG1 ILE A 125 12.539 -7.227 7.637 1.00 0.00 C ATOM 1897 CG2 ILE A 125 15.075 -7.149 7.327 1.00 0.00 C ATOM 1898 CD1 ILE A 125 12.264 -8.445 8.518 1.00 0.00 C ATOM 0 H ILE A 125 11.934 -8.005 5.075 1.00 0.00 H new ATOM 0 HA ILE A 125 13.163 -5.595 5.637 1.00 0.00 H new ATOM 0 HB ILE A 125 13.798 -8.411 6.325 1.00 0.00 H new ATOM 0 HG12 ILE A 125 12.735 -6.370 8.282 1.00 0.00 H new ATOM 0 HG13 ILE A 125 11.637 -6.999 7.070 1.00 0.00 H new ATOM 0 HG21 ILE A 125 15.139 -7.756 8.230 1.00 0.00 H new ATOM 0 HG22 ILE A 125 15.872 -7.434 6.641 1.00 0.00 H new ATOM 0 HG23 ILE A 125 15.181 -6.096 7.590 1.00 0.00 H new ATOM 0 HD11 ILE A 125 11.419 -8.236 9.175 1.00 0.00 H new ATOM 0 HD12 ILE A 125 12.030 -9.304 7.889 1.00 0.00 H new ATOM 0 HD13 ILE A 125 13.146 -8.665 9.120 1.00 0.00 H new ATOM 1910 N ARG A 126 15.080 -7.787 4.037 1.00 0.00 N ATOM 1911 CA ARG A 126 16.291 -8.021 3.314 1.00 0.00 C ATOM 1912 C ARG A 126 16.485 -7.084 2.172 1.00 0.00 C ATOM 1913 O ARG A 126 17.515 -6.444 1.966 1.00 0.00 O ATOM 1914 CB ARG A 126 16.303 -9.412 2.658 1.00 0.00 C ATOM 1915 CG ARG A 126 17.721 -9.879 2.325 1.00 0.00 C ATOM 1916 CD ARG A 126 17.635 -11.286 1.730 1.00 0.00 C ATOM 1917 NE ARG A 126 17.005 -11.210 0.382 1.00 0.00 N ATOM 1918 CZ ARG A 126 16.090 -11.959 -0.300 1.00 0.00 C ATOM 1919 NH1 ARG A 126 15.556 -13.143 0.119 1.00 0.00 N ATOM 1920 NH2 ARG A 126 15.586 -11.441 -1.458 1.00 0.00 N ATOM 0 H ARG A 126 14.525 -8.637 4.137 1.00 0.00 H new ATOM 0 HA ARG A 126 17.069 -7.898 4.068 1.00 0.00 H new ATOM 0 HB2 ARG A 126 15.833 -10.132 3.327 1.00 0.00 H new ATOM 0 HB3 ARG A 126 15.706 -9.387 1.746 1.00 0.00 H new ATOM 0 HG2 ARG A 126 18.190 -9.195 1.617 1.00 0.00 H new ATOM 0 HG3 ARG A 126 18.340 -9.883 3.222 1.00 0.00 H new ATOM 0 HD2 ARG A 126 18.630 -11.724 1.655 1.00 0.00 H new ATOM 0 HD3 ARG A 126 17.050 -11.934 2.382 1.00 0.00 H new ATOM 0 HE ARG A 126 17.335 -10.410 -0.158 1.00 0.00 H new ATOM 0 HH11 ARG A 126 15.837 -13.540 1.015 1.00 0.00 H new ATOM 0 HH12 ARG A 126 14.876 -13.630 -0.464 1.00 0.00 H new ATOM 0 HH21 ARG A 126 15.895 -10.525 -1.784 1.00 0.00 H new ATOM 0 HH22 ARG A 126 14.900 -11.970 -1.997 1.00 0.00 H new ATOM 1934 N GLU A 127 15.413 -6.831 1.401 1.00 0.00 N ATOM 1935 CA GLU A 127 15.440 -6.031 0.215 1.00 0.00 C ATOM 1936 C GLU A 127 15.337 -4.584 0.556 1.00 0.00 C ATOM 1937 O GLU A 127 15.532 -3.713 -0.290 1.00 0.00 O ATOM 1938 CB GLU A 127 14.367 -6.509 -0.778 1.00 0.00 C ATOM 1939 CG GLU A 127 14.602 -7.866 -1.443 1.00 0.00 C ATOM 1940 CD GLU A 127 16.007 -7.982 -2.016 1.00 0.00 C ATOM 1941 OE1 GLU A 127 16.457 -7.084 -2.776 1.00 0.00 O ATOM 1942 OE2 GLU A 127 16.645 -9.030 -1.729 1.00 0.00 O ATOM 0 H GLU A 127 14.486 -7.200 1.613 1.00 0.00 H new ATOM 0 HA GLU A 127 16.399 -6.154 -0.288 1.00 0.00 H new ATOM 0 HB2 GLU A 127 13.412 -6.548 -0.254 1.00 0.00 H new ATOM 0 HB3 GLU A 127 14.270 -5.758 -1.562 1.00 0.00 H new ATOM 0 HG2 GLU A 127 14.441 -8.660 -0.714 1.00 0.00 H new ATOM 0 HG3 GLU A 127 13.872 -8.011 -2.239 1.00 0.00 H new ATOM 1949 N ALA A 128 14.901 -4.275 1.790 1.00 0.00 N ATOM 1950 CA ALA A 128 14.918 -2.930 2.275 1.00 0.00 C ATOM 1951 C ALA A 128 16.256 -2.463 2.733 1.00 0.00 C ATOM 1952 O ALA A 128 16.645 -1.359 2.355 1.00 0.00 O ATOM 1953 CB ALA A 128 13.864 -2.723 3.376 1.00 0.00 C ATOM 0 H ALA A 128 14.536 -4.958 2.453 1.00 0.00 H new ATOM 0 HA ALA A 128 14.665 -2.311 1.415 1.00 0.00 H new ATOM 0 HB1 ALA A 128 13.901 -1.691 3.725 1.00 0.00 H new ATOM 0 HB2 ALA A 128 12.873 -2.936 2.975 1.00 0.00 H new ATOM 0 HB3 ALA A 128 14.071 -3.395 4.209 1.00 0.00 H new ATOM 1959 N ASP A 129 16.964 -3.279 3.534 1.00 0.00 N ATOM 1960 CA ASP A 129 18.238 -2.917 4.075 1.00 0.00 C ATOM 1961 C ASP A 129 19.264 -3.291 3.062 1.00 0.00 C ATOM 1962 O ASP A 129 19.469 -4.456 2.725 1.00 0.00 O ATOM 1963 CB ASP A 129 18.534 -3.644 5.397 1.00 0.00 C ATOM 1964 CG ASP A 129 19.856 -3.155 5.971 1.00 0.00 C ATOM 1965 OD1 ASP A 129 20.502 -2.208 5.449 1.00 0.00 O ATOM 1966 OD2 ASP A 129 20.210 -3.700 7.051 1.00 0.00 O ATOM 0 H ASP A 129 16.646 -4.208 3.811 1.00 0.00 H new ATOM 0 HA ASP A 129 18.248 -1.849 4.292 1.00 0.00 H new ATOM 0 HB2 ASP A 129 17.729 -3.464 6.110 1.00 0.00 H new ATOM 0 HB3 ASP A 129 18.576 -4.720 5.229 1.00 0.00 H new ATOM 1971 N ILE A 130 19.883 -2.268 2.446 1.00 0.00 N ATOM 1972 CA ILE A 130 20.776 -2.383 1.334 1.00 0.00 C ATOM 1973 C ILE A 130 22.058 -3.033 1.728 1.00 0.00 C ATOM 1974 O ILE A 130 22.518 -3.960 1.064 1.00 0.00 O ATOM 1975 CB ILE A 130 20.833 -1.038 0.672 1.00 0.00 C ATOM 1976 CG1 ILE A 130 19.412 -0.523 0.390 1.00 0.00 C ATOM 1977 CG2 ILE A 130 21.743 -1.158 -0.563 1.00 0.00 C ATOM 1978 CD1 ILE A 130 18.700 -1.375 -0.660 1.00 0.00 C ATOM 0 H ILE A 130 19.752 -1.301 2.743 1.00 0.00 H new ATOM 0 HA ILE A 130 20.426 -3.074 0.567 1.00 0.00 H new ATOM 0 HB ILE A 130 21.273 -0.279 1.319 1.00 0.00 H new ATOM 0 HG12 ILE A 130 18.834 -0.526 1.314 1.00 0.00 H new ATOM 0 HG13 ILE A 130 19.461 0.511 0.048 1.00 0.00 H new ATOM 0 HG21 ILE A 130 21.803 -0.193 -1.066 1.00 0.00 H new ATOM 0 HG22 ILE A 130 22.740 -1.468 -0.251 1.00 0.00 H new ATOM 0 HG23 ILE A 130 21.331 -1.899 -1.248 1.00 0.00 H new ATOM 0 HD11 ILE A 130 17.699 -0.979 -0.832 1.00 0.00 H new ATOM 0 HD12 ILE A 130 19.265 -1.351 -1.592 1.00 0.00 H new ATOM 0 HD13 ILE A 130 18.628 -2.403 -0.306 1.00 0.00 H new ATOM 1990 N ASP A 131 22.609 -2.576 2.867 1.00 0.00 N ATOM 1991 CA ASP A 131 23.797 -3.009 3.536 1.00 0.00 C ATOM 1992 C ASP A 131 23.661 -4.408 4.031 1.00 0.00 C ATOM 1993 O ASP A 131 24.616 -5.182 3.985 1.00 0.00 O ATOM 1994 CB ASP A 131 24.166 -2.014 4.649 1.00 0.00 C ATOM 1995 CG ASP A 131 23.937 -0.585 4.177 1.00 0.00 C ATOM 1996 OD1 ASP A 131 22.748 -0.182 4.280 1.00 0.00 O ATOM 1997 OD2 ASP A 131 24.923 0.120 3.832 1.00 0.00 O ATOM 0 H ASP A 131 22.166 -1.812 3.377 1.00 0.00 H new ATOM 0 HA ASP A 131 24.622 -3.022 2.824 1.00 0.00 H new ATOM 0 HB2 ASP A 131 23.565 -2.212 5.537 1.00 0.00 H new ATOM 0 HB3 ASP A 131 25.210 -2.147 4.934 1.00 0.00 H new ATOM 2002 N GLY A 132 22.502 -4.856 4.543 1.00 0.00 N ATOM 2003 CA GLY A 132 22.424 -5.964 5.443 1.00 0.00 C ATOM 2004 C GLY A 132 23.075 -5.783 6.771 1.00 0.00 C ATOM 2005 O GLY A 132 23.593 -6.717 7.381 1.00 0.00 O ATOM 0 H GLY A 132 21.597 -4.438 4.327 1.00 0.00 H new ATOM 0 HA2 GLY A 132 21.372 -6.198 5.607 1.00 0.00 H new ATOM 0 HA3 GLY A 132 22.872 -6.831 4.958 1.00 0.00 H new ATOM 2009 N ASP A 133 23.049 -4.527 7.251 1.00 0.00 N ATOM 2010 CA ASP A 133 23.676 -4.092 8.460 1.00 0.00 C ATOM 2011 C ASP A 133 22.904 -4.570 9.641 1.00 0.00 C ATOM 2012 O ASP A 133 23.483 -5.004 10.636 1.00 0.00 O ATOM 2013 CB ASP A 133 24.061 -2.605 8.387 1.00 0.00 C ATOM 2014 CG ASP A 133 22.949 -1.599 8.648 1.00 0.00 C ATOM 2015 OD1 ASP A 133 22.355 -1.564 9.758 1.00 0.00 O ATOM 2016 OD2 ASP A 133 22.678 -0.741 7.765 1.00 0.00 O ATOM 0 H ASP A 133 22.562 -3.772 6.767 1.00 0.00 H new ATOM 0 HA ASP A 133 24.649 -4.563 8.598 1.00 0.00 H new ATOM 0 HB2 ASP A 133 24.860 -2.424 9.107 1.00 0.00 H new ATOM 0 HB3 ASP A 133 24.473 -2.408 7.397 1.00 0.00 H new ATOM 2021 N GLY A 134 21.575 -4.375 9.590 1.00 0.00 N ATOM 2022 CA GLY A 134 20.764 -4.654 10.735 1.00 0.00 C ATOM 2023 C GLY A 134 19.611 -3.720 10.601 1.00 0.00 C ATOM 2024 O GLY A 134 18.540 -4.099 11.072 1.00 0.00 O ATOM 0 H GLY A 134 21.069 -4.031 8.774 1.00 0.00 H new ATOM 0 HA2 GLY A 134 20.436 -5.693 10.747 1.00 0.00 H new ATOM 0 HA3 GLY A 134 21.311 -4.482 11.662 1.00 0.00 H new ATOM 2028 N GLN A 135 19.804 -2.507 10.054 1.00 0.00 N ATOM 2029 CA GLN A 135 18.809 -1.481 10.114 1.00 0.00 C ATOM 2030 C GLN A 135 18.463 -0.745 8.866 1.00 0.00 C ATOM 2031 O GLN A 135 19.257 -0.648 7.932 1.00 0.00 O ATOM 2032 CB GLN A 135 19.271 -0.347 11.044 1.00 0.00 C ATOM 2033 CG GLN A 135 19.715 -0.752 12.451 1.00 0.00 C ATOM 2034 CD GLN A 135 19.991 0.393 13.414 1.00 0.00 C ATOM 2035 OE1 GLN A 135 19.233 0.627 14.354 1.00 0.00 O ATOM 2036 NE2 GLN A 135 21.149 1.078 13.216 1.00 0.00 N ATOM 0 H GLN A 135 20.657 -2.235 9.566 1.00 0.00 H new ATOM 0 HA GLN A 135 17.943 -2.064 10.426 1.00 0.00 H new ATOM 0 HB2 GLN A 135 20.099 0.173 10.562 1.00 0.00 H new ATOM 0 HB3 GLN A 135 18.456 0.370 11.137 1.00 0.00 H new ATOM 0 HG2 GLN A 135 18.945 -1.389 12.885 1.00 0.00 H new ATOM 0 HG3 GLN A 135 20.618 -1.356 12.367 1.00 0.00 H new ATOM 0 HE21 GLN A 135 21.747 0.850 12.422 1.00 0.00 H new ATOM 0 HE22 GLN A 135 21.419 1.820 13.861 1.00 0.00 H new ATOM 2045 N VAL A 136 17.216 -0.245 8.792 1.00 0.00 N ATOM 2046 CA VAL A 136 16.656 0.511 7.716 1.00 0.00 C ATOM 2047 C VAL A 136 16.530 1.941 8.115 1.00 0.00 C ATOM 2048 O VAL A 136 15.900 2.314 9.103 1.00 0.00 O ATOM 2049 CB VAL A 136 15.371 -0.166 7.341 1.00 0.00 C ATOM 2050 CG1 VAL A 136 14.528 0.667 6.361 1.00 0.00 C ATOM 2051 CG2 VAL A 136 15.716 -1.454 6.575 1.00 0.00 C ATOM 0 H VAL A 136 16.546 -0.382 9.549 1.00 0.00 H new ATOM 0 HA VAL A 136 17.289 0.535 6.829 1.00 0.00 H new ATOM 0 HB VAL A 136 14.815 -0.328 8.265 1.00 0.00 H new ATOM 0 HG11 VAL A 136 13.610 0.130 6.124 1.00 0.00 H new ATOM 0 HG12 VAL A 136 14.280 1.625 6.818 1.00 0.00 H new ATOM 0 HG13 VAL A 136 15.096 0.837 5.446 1.00 0.00 H new ATOM 0 HG21 VAL A 136 14.796 -1.966 6.291 1.00 0.00 H new ATOM 0 HG22 VAL A 136 16.284 -1.203 5.679 1.00 0.00 H new ATOM 0 HG23 VAL A 136 16.313 -2.107 7.212 1.00 0.00 H new ATOM 2061 N ASN A 137 17.182 2.769 7.280 1.00 0.00 N ATOM 2062 CA ASN A 137 17.140 4.192 7.415 1.00 0.00 C ATOM 2063 C ASN A 137 16.026 4.724 6.580 1.00 0.00 C ATOM 2064 O ASN A 137 15.238 3.974 6.007 1.00 0.00 O ATOM 2065 CB ASN A 137 18.542 4.805 7.257 1.00 0.00 C ATOM 2066 CG ASN A 137 19.122 4.862 5.851 1.00 0.00 C ATOM 2067 OD1 ASN A 137 18.425 5.067 4.858 1.00 0.00 O ATOM 2068 ND2 ASN A 137 20.471 4.751 5.721 1.00 0.00 N ATOM 0 H ASN A 137 17.749 2.445 6.497 1.00 0.00 H new ATOM 0 HA ASN A 137 16.882 4.512 8.425 1.00 0.00 H new ATOM 0 HB2 ASN A 137 18.513 5.821 7.652 1.00 0.00 H new ATOM 0 HB3 ASN A 137 19.231 4.239 7.884 1.00 0.00 H new ATOM 0 HD21 ASN A 137 20.904 4.838 4.801 1.00 0.00 H new ATOM 0 HD22 ASN A 137 21.050 4.581 6.543 1.00 0.00 H new ATOM 2075 N TYR A 138 15.804 6.047 6.686 1.00 0.00 N ATOM 2076 CA TYR A 138 14.716 6.653 5.984 1.00 0.00 C ATOM 2077 C TYR A 138 14.817 6.598 4.498 1.00 0.00 C ATOM 2078 O TYR A 138 13.849 6.343 3.784 1.00 0.00 O ATOM 2079 CB TYR A 138 14.535 8.105 6.458 1.00 0.00 C ATOM 2080 CG TYR A 138 13.322 8.781 5.918 1.00 0.00 C ATOM 2081 CD1 TYR A 138 12.096 8.182 6.087 1.00 0.00 C ATOM 2082 CD2 TYR A 138 13.511 9.819 5.035 1.00 0.00 C ATOM 2083 CE1 TYR A 138 10.998 8.660 5.411 1.00 0.00 C ATOM 2084 CE2 TYR A 138 12.427 10.285 4.330 1.00 0.00 C ATOM 2085 CZ TYR A 138 11.187 9.761 4.610 1.00 0.00 C ATOM 2086 OH TYR A 138 10.065 10.328 3.971 1.00 0.00 O ATOM 0 H TYR A 138 16.367 6.687 7.247 1.00 0.00 H new ATOM 0 HA TYR A 138 13.837 6.056 6.228 1.00 0.00 H new ATOM 0 HB2 TYR A 138 14.488 8.116 7.547 1.00 0.00 H new ATOM 0 HB3 TYR A 138 15.415 8.681 6.171 1.00 0.00 H new ATOM 0 HD1 TYR A 138 11.995 7.336 6.751 1.00 0.00 H new ATOM 0 HD2 TYR A 138 14.489 10.258 4.899 1.00 0.00 H new ATOM 0 HE1 TYR A 138 10.030 8.191 5.505 1.00 0.00 H new ATOM 0 HE2 TYR A 138 12.547 11.046 3.573 1.00 0.00 H new ATOM 0 HH TYR A 138 10.348 11.100 3.438 1.00 0.00 H new ATOM 2096 N GLU A 139 16.041 6.671 3.946 1.00 0.00 N ATOM 2097 CA GLU A 139 16.244 6.642 2.531 1.00 0.00 C ATOM 2098 C GLU A 139 15.953 5.325 1.899 1.00 0.00 C ATOM 2099 O GLU A 139 15.349 5.150 0.842 1.00 0.00 O ATOM 2100 CB GLU A 139 17.634 7.129 2.086 1.00 0.00 C ATOM 2101 CG GLU A 139 18.105 8.515 2.530 1.00 0.00 C ATOM 2102 CD GLU A 139 19.587 8.569 2.876 1.00 0.00 C ATOM 2103 OE1 GLU A 139 20.468 7.993 2.184 1.00 0.00 O ATOM 2104 OE2 GLU A 139 19.894 9.249 3.891 1.00 0.00 O ATOM 0 H GLU A 139 16.901 6.751 4.488 1.00 0.00 H new ATOM 0 HA GLU A 139 15.505 7.357 2.170 1.00 0.00 H new ATOM 0 HB2 GLU A 139 18.367 6.403 2.438 1.00 0.00 H new ATOM 0 HB3 GLU A 139 17.659 7.105 0.997 1.00 0.00 H new ATOM 0 HG2 GLU A 139 17.899 9.232 1.736 1.00 0.00 H new ATOM 0 HG3 GLU A 139 17.525 8.826 3.399 1.00 0.00 H new ATOM 2111 N GLU A 140 16.378 4.263 2.607 1.00 0.00 N ATOM 2112 CA GLU A 140 16.102 2.885 2.345 1.00 0.00 C ATOM 2113 C GLU A 140 14.640 2.625 2.468 1.00 0.00 C ATOM 2114 O GLU A 140 14.021 1.977 1.625 1.00 0.00 O ATOM 2115 CB GLU A 140 16.847 1.912 3.274 1.00 0.00 C ATOM 2116 CG GLU A 140 18.366 2.081 3.196 1.00 0.00 C ATOM 2117 CD GLU A 140 19.134 1.351 4.288 1.00 0.00 C ATOM 2118 OE1 GLU A 140 19.128 1.686 5.503 1.00 0.00 O ATOM 2119 OE2 GLU A 140 19.752 0.334 3.874 1.00 0.00 O ATOM 0 H GLU A 140 16.965 4.381 3.433 1.00 0.00 H new ATOM 0 HA GLU A 140 16.456 2.702 1.330 1.00 0.00 H new ATOM 0 HB2 GLU A 140 16.518 2.071 4.301 1.00 0.00 H new ATOM 0 HB3 GLU A 140 16.584 0.888 3.010 1.00 0.00 H new ATOM 0 HG2 GLU A 140 18.710 1.724 2.225 1.00 0.00 H new ATOM 0 HG3 GLU A 140 18.605 3.143 3.248 1.00 0.00 H new ATOM 2126 N PHE A 141 13.937 3.289 3.404 1.00 0.00 N ATOM 2127 CA PHE A 141 12.526 3.225 3.622 1.00 0.00 C ATOM 2128 C PHE A 141 11.698 3.850 2.552 1.00 0.00 C ATOM 2129 O PHE A 141 10.711 3.264 2.111 1.00 0.00 O ATOM 2130 CB PHE A 141 12.179 3.747 5.027 1.00 0.00 C ATOM 2131 CG PHE A 141 10.772 3.506 5.455 1.00 0.00 C ATOM 2132 CD1 PHE A 141 10.265 2.247 5.673 1.00 0.00 C ATOM 2133 CD2 PHE A 141 9.884 4.537 5.651 1.00 0.00 C ATOM 2134 CE1 PHE A 141 8.961 2.110 6.087 1.00 0.00 C ATOM 2135 CE2 PHE A 141 8.554 4.389 5.968 1.00 0.00 C ATOM 2136 CZ PHE A 141 8.061 3.137 6.250 1.00 0.00 C ATOM 0 H PHE A 141 14.395 3.921 4.060 1.00 0.00 H new ATOM 0 HA PHE A 141 12.255 2.171 3.566 1.00 0.00 H new ATOM 0 HB2 PHE A 141 12.848 3.279 5.749 1.00 0.00 H new ATOM 0 HB3 PHE A 141 12.375 4.819 5.059 1.00 0.00 H new ATOM 0 HD1 PHE A 141 10.884 1.375 5.521 1.00 0.00 H new ATOM 0 HD2 PHE A 141 10.261 5.544 5.548 1.00 0.00 H new ATOM 0 HE1 PHE A 141 8.614 1.110 6.303 1.00 0.00 H new ATOM 0 HE2 PHE A 141 7.902 5.250 5.995 1.00 0.00 H new ATOM 0 HZ PHE A 141 7.044 2.972 6.575 1.00 0.00 H new ATOM 2146 N VAL A 142 12.102 5.055 2.112 1.00 0.00 N ATOM 2147 CA VAL A 142 11.497 5.713 0.996 1.00 0.00 C ATOM 2148 C VAL A 142 11.467 4.870 -0.232 1.00 0.00 C ATOM 2149 O VAL A 142 10.460 4.689 -0.915 1.00 0.00 O ATOM 2150 CB VAL A 142 12.166 6.977 0.544 1.00 0.00 C ATOM 2151 CG1 VAL A 142 11.637 7.665 -0.726 1.00 0.00 C ATOM 2152 CG2 VAL A 142 12.034 8.070 1.617 1.00 0.00 C ATOM 0 H VAL A 142 12.863 5.582 2.539 1.00 0.00 H new ATOM 0 HA VAL A 142 10.507 5.927 1.398 1.00 0.00 H new ATOM 0 HB VAL A 142 13.174 6.614 0.344 1.00 0.00 H new ATOM 0 HG11 VAL A 142 12.221 8.564 -0.923 1.00 0.00 H new ATOM 0 HG12 VAL A 142 11.724 6.983 -1.572 1.00 0.00 H new ATOM 0 HG13 VAL A 142 10.591 7.936 -0.584 1.00 0.00 H new ATOM 0 HG21 VAL A 142 12.525 8.980 1.272 1.00 0.00 H new ATOM 0 HG22 VAL A 142 10.979 8.274 1.800 1.00 0.00 H new ATOM 0 HG23 VAL A 142 12.504 7.732 2.541 1.00 0.00 H new ATOM 2162 N GLN A 143 12.621 4.295 -0.616 1.00 0.00 N ATOM 2163 CA GLN A 143 12.785 3.429 -1.741 1.00 0.00 C ATOM 2164 C GLN A 143 11.867 2.259 -1.658 1.00 0.00 C ATOM 2165 O GLN A 143 11.218 1.914 -2.645 1.00 0.00 O ATOM 2166 CB GLN A 143 14.168 2.814 -2.017 1.00 0.00 C ATOM 2167 CG GLN A 143 14.372 2.092 -3.350 1.00 0.00 C ATOM 2168 CD GLN A 143 15.790 1.652 -3.688 1.00 0.00 C ATOM 2169 OE1 GLN A 143 16.122 1.894 -4.847 1.00 0.00 O ATOM 2170 NE2 GLN A 143 16.659 1.316 -2.697 1.00 0.00 N ATOM 0 H GLN A 143 13.493 4.445 -0.108 1.00 0.00 H new ATOM 0 HA GLN A 143 12.581 4.133 -2.548 1.00 0.00 H new ATOM 0 HB2 GLN A 143 14.909 3.611 -1.950 1.00 0.00 H new ATOM 0 HB3 GLN A 143 14.387 2.108 -1.216 1.00 0.00 H new ATOM 0 HG2 GLN A 143 13.732 1.209 -3.359 1.00 0.00 H new ATOM 0 HG3 GLN A 143 14.022 2.747 -4.147 1.00 0.00 H new ATOM 0 HE21 GLN A 143 16.312 1.128 -1.756 1.00 0.00 H new ATOM 0 HE22 GLN A 143 17.658 1.252 -2.894 1.00 0.00 H new ATOM 2179 N MET A 144 11.817 1.564 -0.508 1.00 0.00 N ATOM 2180 CA MET A 144 10.835 0.566 -0.215 1.00 0.00 C ATOM 2181 C MET A 144 9.419 0.990 -0.402 1.00 0.00 C ATOM 2182 O MET A 144 8.624 0.330 -1.069 1.00 0.00 O ATOM 2183 CB MET A 144 11.103 0.079 1.219 1.00 0.00 C ATOM 2184 CG MET A 144 10.206 -1.002 1.826 1.00 0.00 C ATOM 2185 SD MET A 144 10.428 -1.280 3.608 1.00 0.00 S ATOM 2186 CE MET A 144 8.749 -1.948 3.784 1.00 0.00 C ATOM 0 H MET A 144 12.487 1.703 0.248 1.00 0.00 H new ATOM 0 HA MET A 144 10.943 -0.238 -0.943 1.00 0.00 H new ATOM 0 HB2 MET A 144 12.128 -0.290 1.253 1.00 0.00 H new ATOM 0 HB3 MET A 144 11.056 0.949 1.874 1.00 0.00 H new ATOM 0 HG2 MET A 144 9.166 -0.733 1.643 1.00 0.00 H new ATOM 0 HG3 MET A 144 10.390 -1.940 1.302 1.00 0.00 H new ATOM 0 HE1 MET A 144 8.656 -2.449 4.748 1.00 0.00 H new ATOM 0 HE2 MET A 144 8.026 -1.134 3.727 1.00 0.00 H new ATOM 0 HE3 MET A 144 8.556 -2.662 2.984 1.00 0.00 H new ATOM 2196 N MET A 145 9.056 2.200 0.059 1.00 0.00 N ATOM 2197 CA MET A 145 7.676 2.575 0.084 1.00 0.00 C ATOM 2198 C MET A 145 7.192 2.992 -1.262 1.00 0.00 C ATOM 2199 O MET A 145 6.034 2.759 -1.603 1.00 0.00 O ATOM 2200 CB MET A 145 7.322 3.609 1.166 1.00 0.00 C ATOM 2201 CG MET A 145 7.172 3.033 2.575 1.00 0.00 C ATOM 2202 SD MET A 145 5.639 2.058 2.639 1.00 0.00 S ATOM 2203 CE MET A 145 5.867 1.383 4.310 1.00 0.00 C ATOM 0 H MET A 145 9.703 2.907 0.408 1.00 0.00 H new ATOM 0 HA MET A 145 7.139 1.670 0.369 1.00 0.00 H new ATOM 0 HB2 MET A 145 8.095 4.377 1.182 1.00 0.00 H new ATOM 0 HB3 MET A 145 6.390 4.101 0.888 1.00 0.00 H new ATOM 0 HG2 MET A 145 8.030 2.407 2.822 1.00 0.00 H new ATOM 0 HG3 MET A 145 7.141 3.836 3.311 1.00 0.00 H new ATOM 0 HE1 MET A 145 5.182 0.549 4.462 1.00 0.00 H new ATOM 0 HE2 MET A 145 6.894 1.035 4.425 1.00 0.00 H new ATOM 0 HE3 MET A 145 5.662 2.159 5.047 1.00 0.00 H new