USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 801 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 27 HIS : no HD1:sc= 0 X(o=0.22,f=0.22) USER MOD Set 1.2: A 29 ASN : amide:sc= 0.217 K(o=0.22,f=-4.5!) USER MOD Single : A 7 TYR OH : rot 87:sc= 0.236 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.003 USER MOD Single : A 11 GLN : amide:sc= -2.23! K(o=-2.2!,f=-1.4) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 139:sc= -2.62! (180deg=-5.76!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 71:sc= 1.27 USER MOD Single : A 37 LYS NZ :NH3+ 176:sc= 1.16 (180deg=1.06) USER MOD Single : A 40 LYS NZ :NH3+ 179:sc= 1.1 (180deg=1.05) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= -4.96! K(o=-5!,f=-3.7) USER MOD Single : A 61 LYS NZ :NH3+ -178:sc= 0.73 (180deg=0.727) USER MOD Single : A 64 MET CE :methyl 138:sc= -0.346 (180deg=-1.84) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 75 THR OG1 : rot -169:sc= 2.26 USER MOD Single : A 80 LYS NZ :NH3+ -167:sc=-0.000666 (180deg=-0.121) USER MOD Single : A 82 MET CE :methyl 159:sc= -0.14 (180deg=-0.738) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 85 TYR OH : rot 30:sc= 0.971 USER MOD Single : A 88 LYS NZ :NH3+ -175:sc= 0.0507 (180deg=0.0304) USER MOD Single : A 90 HIS : no HD1:sc= -0.317 X(o=-0.32,f=-0.32) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc=-0.00219 K(o=-0.0022,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 91 N TYR A 7 2.842 -12.322 8.528 1.00 74.44 N ATOM 92 CA TYR A 7 1.647 -12.252 7.707 1.00 43.04 C ATOM 93 C TYR A 7 1.888 -11.551 6.370 1.00 63.53 C ATOM 94 O TYR A 7 3.023 -11.234 6.005 1.00 75.21 O ATOM 95 CB TYR A 7 0.513 -11.577 8.481 1.00 60.42 C ATOM 96 CG TYR A 7 0.928 -10.365 9.290 1.00 12.15 C ATOM 97 CD1 TYR A 7 0.951 -9.098 8.727 1.00 1.33 C ATOM 98 CD2 TYR A 7 1.271 -10.492 10.629 1.00 34.15 C ATOM 99 CE1 TYR A 7 1.305 -7.995 9.477 1.00 65.10 C ATOM 100 CE2 TYR A 7 1.618 -9.393 11.387 1.00 11.53 C ATOM 101 CZ TYR A 7 1.636 -8.148 10.805 1.00 13.52 C ATOM 102 OH TYR A 7 1.964 -7.045 11.557 1.00 15.23 O ATOM 0 HA TYR A 7 1.359 -13.276 7.470 1.00 43.04 H new ATOM 0 HB2 TYR A 7 -0.261 -11.277 7.775 1.00 60.42 H new ATOM 0 HB3 TYR A 7 0.065 -12.309 9.153 1.00 60.42 H new ATOM 0 HD1 TYR A 7 0.688 -8.973 7.687 1.00 1.33 H new ATOM 0 HD2 TYR A 7 1.266 -11.470 11.086 1.00 34.15 H new ATOM 0 HE1 TYR A 7 1.322 -7.015 9.024 1.00 65.10 H new ATOM 0 HE2 TYR A 7 1.874 -9.510 12.430 1.00 11.53 H new ATOM 0 HH TYR A 7 1.149 -6.648 11.928 1.00 15.23 H new ATOM 112 N THR A 8 0.800 -11.336 5.643 1.00 20.14 N ATOM 113 CA THR A 8 0.848 -10.792 4.294 1.00 41.23 C ATOM 114 C THR A 8 0.858 -9.265 4.288 1.00 72.12 C ATOM 115 O THR A 8 0.712 -8.624 5.329 1.00 45.00 O ATOM 116 CB THR A 8 -0.367 -11.279 3.483 1.00 52.44 C ATOM 117 OG1 THR A 8 -1.578 -10.979 4.195 1.00 41.44 O ATOM 118 CG2 THR A 8 -0.276 -12.775 3.219 1.00 71.12 C ATOM 0 H THR A 8 -0.144 -11.535 5.974 1.00 20.14 H new ATOM 0 HA THR A 8 1.776 -11.145 3.843 1.00 41.23 H new ATOM 0 HB THR A 8 -0.374 -10.762 2.524 1.00 52.44 H new ATOM 0 HG1 THR A 8 -2.349 -11.289 3.675 1.00 41.44 H new ATOM 0 HG21 THR A 8 -1.145 -13.097 2.645 1.00 71.12 H new ATOM 0 HG22 THR A 8 0.632 -12.990 2.655 1.00 71.12 H new ATOM 0 HG23 THR A 8 -0.250 -13.311 4.168 1.00 71.12 H new ATOM 126 N VAL A 9 1.016 -8.689 3.097 1.00 10.35 N ATOM 127 CA VAL A 9 0.937 -7.244 2.920 1.00 5.04 C ATOM 128 C VAL A 9 -0.491 -6.768 3.188 1.00 51.12 C ATOM 129 O VAL A 9 -0.721 -5.640 3.624 1.00 0.00 O ATOM 130 CB VAL A 9 1.384 -6.823 1.493 1.00 45.40 C ATOM 131 CG1 VAL A 9 0.532 -7.498 0.426 1.00 72.14 C ATOM 132 CG2 VAL A 9 1.341 -5.310 1.331 1.00 41.22 C ATOM 0 H VAL A 9 1.200 -9.206 2.237 1.00 10.35 H new ATOM 0 HA VAL A 9 1.616 -6.775 3.633 1.00 5.04 H new ATOM 0 HB VAL A 9 2.415 -7.152 1.362 1.00 45.40 H new ATOM 0 HG11 VAL A 9 0.869 -7.183 -0.562 1.00 72.14 H new ATOM 0 HG12 VAL A 9 0.628 -8.580 0.515 1.00 72.14 H new ATOM 0 HG13 VAL A 9 -0.512 -7.214 0.560 1.00 72.14 H new ATOM 0 HG21 VAL A 9 1.659 -5.043 0.323 1.00 41.22 H new ATOM 0 HG22 VAL A 9 0.324 -4.955 1.497 1.00 41.22 H new ATOM 0 HG23 VAL A 9 2.010 -4.847 2.057 1.00 41.22 H new ATOM 142 N ALA A 10 -1.441 -7.666 2.961 1.00 72.15 N ATOM 143 CA ALA A 10 -2.845 -7.374 3.178 1.00 14.22 C ATOM 144 C ALA A 10 -3.136 -7.173 4.657 1.00 11.41 C ATOM 145 O ALA A 10 -3.974 -6.354 5.033 1.00 52.53 O ATOM 146 CB ALA A 10 -3.702 -8.500 2.629 1.00 52.34 C ATOM 0 H ALA A 10 -1.258 -8.611 2.623 1.00 72.15 H new ATOM 0 HA ALA A 10 -3.087 -6.450 2.653 1.00 14.22 H new ATOM 0 HB1 ALA A 10 -4.754 -8.271 2.797 1.00 52.34 H new ATOM 0 HB2 ALA A 10 -3.520 -8.608 1.560 1.00 52.34 H new ATOM 0 HB3 ALA A 10 -3.448 -9.431 3.136 1.00 52.34 H new ATOM 152 N GLN A 11 -2.433 -7.924 5.491 1.00 12.31 N ATOM 153 CA GLN A 11 -2.654 -7.882 6.930 1.00 52.22 C ATOM 154 C GLN A 11 -2.001 -6.638 7.536 1.00 73.14 C ATOM 155 O GLN A 11 -2.510 -6.076 8.498 1.00 23.10 O ATOM 156 CB GLN A 11 -2.114 -9.161 7.580 1.00 74.35 C ATOM 157 CG GLN A 11 -2.492 -9.336 9.046 1.00 12.24 C ATOM 158 CD GLN A 11 -3.988 -9.300 9.269 1.00 31.43 C ATOM 159 OE1 GLN A 11 -4.673 -10.316 9.163 1.00 32.10 O ATOM 160 NE2 GLN A 11 -4.503 -8.139 9.610 1.00 64.13 N ATOM 0 H GLN A 11 -1.703 -8.572 5.196 1.00 12.31 H new ATOM 0 HA GLN A 11 -3.725 -7.824 7.123 1.00 52.22 H new ATOM 0 HB2 GLN A 11 -2.480 -10.021 7.019 1.00 74.35 H new ATOM 0 HB3 GLN A 11 -1.027 -9.165 7.496 1.00 74.35 H new ATOM 0 HG2 GLN A 11 -2.097 -10.285 9.408 1.00 12.24 H new ATOM 0 HG3 GLN A 11 -2.021 -8.549 9.635 1.00 12.24 H new ATOM 0 HE21 GLN A 11 -3.903 -7.318 9.688 1.00 64.13 H new ATOM 0 HE22 GLN A 11 -5.503 -8.060 9.797 1.00 64.13 H new ATOM 169 N LEU A 12 -0.890 -6.198 6.945 1.00 52.04 N ATOM 170 CA LEU A 12 -0.208 -4.977 7.390 1.00 51.10 C ATOM 171 C LEU A 12 -1.169 -3.796 7.416 1.00 72.32 C ATOM 172 O LEU A 12 -1.192 -3.015 8.368 1.00 54.42 O ATOM 173 CB LEU A 12 0.957 -4.636 6.457 1.00 21.32 C ATOM 174 CG LEU A 12 2.203 -5.511 6.581 1.00 32.43 C ATOM 175 CD1 LEU A 12 3.218 -5.130 5.515 1.00 33.42 C ATOM 176 CD2 LEU A 12 2.816 -5.371 7.964 1.00 61.14 C ATOM 0 H LEU A 12 -0.442 -6.666 6.158 1.00 52.04 H new ATOM 0 HA LEU A 12 0.168 -5.164 8.396 1.00 51.10 H new ATOM 0 HB2 LEU A 12 0.600 -4.693 5.429 1.00 21.32 H new ATOM 0 HB3 LEU A 12 1.247 -3.601 6.636 1.00 21.32 H new ATOM 0 HG LEU A 12 1.913 -6.552 6.435 1.00 32.43 H new ATOM 0 HD11 LEU A 12 4.102 -5.760 5.613 1.00 33.42 H new ATOM 0 HD12 LEU A 12 2.779 -5.272 4.527 1.00 33.42 H new ATOM 0 HD13 LEU A 12 3.502 -4.085 5.640 1.00 33.42 H new ATOM 0 HD21 LEU A 12 3.703 -6.001 8.035 1.00 61.14 H new ATOM 0 HD22 LEU A 12 3.095 -4.331 8.135 1.00 61.14 H new ATOM 0 HD23 LEU A 12 2.090 -5.680 8.717 1.00 61.14 H new ATOM 188 N ALA A 13 -1.961 -3.679 6.361 1.00 51.24 N ATOM 189 CA ALA A 13 -2.887 -2.569 6.213 1.00 64.32 C ATOM 190 C ALA A 13 -3.972 -2.598 7.285 1.00 34.03 C ATOM 191 O ALA A 13 -4.509 -1.555 7.653 1.00 2.42 O ATOM 192 CB ALA A 13 -3.507 -2.587 4.826 1.00 14.52 C ATOM 0 H ALA A 13 -1.980 -4.346 5.589 1.00 51.24 H new ATOM 0 HA ALA A 13 -2.326 -1.643 6.339 1.00 64.32 H new ATOM 0 HB1 ALA A 13 -4.199 -1.751 4.726 1.00 14.52 H new ATOM 0 HB2 ALA A 13 -2.722 -2.500 4.075 1.00 14.52 H new ATOM 0 HB3 ALA A 13 -4.046 -3.523 4.680 1.00 14.52 H new ATOM 198 N ASP A 14 -4.277 -3.787 7.794 1.00 33.30 N ATOM 199 CA ASP A 14 -5.322 -3.937 8.802 1.00 70.10 C ATOM 200 C ASP A 14 -4.861 -3.362 10.135 1.00 60.31 C ATOM 201 O ASP A 14 -5.582 -2.595 10.770 1.00 14.42 O ATOM 202 CB ASP A 14 -5.720 -5.405 8.959 1.00 3.43 C ATOM 203 CG ASP A 14 -6.853 -5.610 9.952 1.00 45.11 C ATOM 204 OD1 ASP A 14 -8.024 -5.378 9.578 1.00 63.12 O ATOM 205 OD2 ASP A 14 -6.584 -6.029 11.101 1.00 34.43 O ATOM 0 H ASP A 14 -3.818 -4.658 7.527 1.00 33.30 H new ATOM 0 HA ASP A 14 -6.199 -3.382 8.470 1.00 70.10 H new ATOM 0 HB2 ASP A 14 -6.019 -5.801 7.988 1.00 3.43 H new ATOM 0 HB3 ASP A 14 -4.852 -5.979 9.283 1.00 3.43 H new ATOM 210 N GLU A 15 -3.651 -3.716 10.548 1.00 21.14 N ATOM 211 CA GLU A 15 -3.065 -3.138 11.755 1.00 60.22 C ATOM 212 C GLU A 15 -2.824 -1.644 11.571 1.00 53.25 C ATOM 213 O GLU A 15 -3.032 -0.846 12.489 1.00 32.31 O ATOM 214 CB GLU A 15 -1.743 -3.823 12.120 1.00 74.24 C ATOM 215 CG GLU A 15 -1.902 -5.157 12.831 1.00 70.33 C ATOM 216 CD GLU A 15 -2.060 -6.328 11.884 1.00 51.22 C ATOM 217 OE1 GLU A 15 -3.090 -6.408 11.189 1.00 10.10 O ATOM 218 OE2 GLU A 15 -1.162 -7.191 11.859 1.00 34.33 O ATOM 0 H GLU A 15 -3.058 -4.395 10.071 1.00 21.14 H new ATOM 0 HA GLU A 15 -3.775 -3.296 12.567 1.00 60.22 H new ATOM 0 HB2 GLU A 15 -1.164 -3.977 11.209 1.00 74.24 H new ATOM 0 HB3 GLU A 15 -1.164 -3.153 12.756 1.00 74.24 H new ATOM 0 HG2 GLU A 15 -1.033 -5.328 13.466 1.00 70.33 H new ATOM 0 HG3 GLU A 15 -2.771 -5.110 13.487 1.00 70.33 H new ATOM 225 N TYR A 16 -2.390 -1.272 10.375 1.00 0.23 N ATOM 226 CA TYR A 16 -2.080 0.115 10.077 1.00 4.03 C ATOM 227 C TYR A 16 -3.333 0.988 10.144 1.00 5.33 C ATOM 228 O TYR A 16 -3.335 2.023 10.810 1.00 31.32 O ATOM 229 CB TYR A 16 -1.423 0.227 8.697 1.00 63.41 C ATOM 230 CG TYR A 16 -0.882 1.607 8.380 1.00 52.21 C ATOM 231 CD1 TYR A 16 0.422 1.956 8.714 1.00 44.35 C ATOM 232 CD2 TYR A 16 -1.674 2.560 7.750 1.00 3.12 C ATOM 233 CE1 TYR A 16 0.922 3.213 8.426 1.00 0.25 C ATOM 234 CE2 TYR A 16 -1.180 3.818 7.460 1.00 73.35 C ATOM 235 CZ TYR A 16 0.114 4.141 7.802 1.00 73.34 C ATOM 236 OH TYR A 16 0.600 5.400 7.520 1.00 53.15 O ATOM 0 H TYR A 16 -2.245 -1.914 9.596 1.00 0.23 H new ATOM 0 HA TYR A 16 -1.380 0.475 10.831 1.00 4.03 H new ATOM 0 HB2 TYR A 16 -0.608 -0.494 8.635 1.00 63.41 H new ATOM 0 HB3 TYR A 16 -2.152 -0.049 7.936 1.00 63.41 H new ATOM 0 HD1 TYR A 16 1.055 1.233 9.207 1.00 44.35 H new ATOM 0 HD2 TYR A 16 -2.691 2.314 7.483 1.00 3.12 H new ATOM 0 HE1 TYR A 16 1.939 3.467 8.688 1.00 0.25 H new ATOM 0 HE2 TYR A 16 -1.807 4.546 6.967 1.00 73.35 H new ATOM 0 HH TYR A 16 -0.097 5.929 7.079 1.00 53.15 H new ATOM 246 N PHE A 17 -4.403 0.569 9.474 1.00 65.22 N ATOM 247 CA PHE A 17 -5.604 1.395 9.399 1.00 30.32 C ATOM 248 C PHE A 17 -6.344 1.401 10.735 1.00 14.41 C ATOM 249 O PHE A 17 -6.965 2.394 11.098 1.00 73.12 O ATOM 250 CB PHE A 17 -6.531 0.942 8.254 1.00 11.52 C ATOM 251 CG PHE A 17 -7.649 0.012 8.650 1.00 41.01 C ATOM 252 CD1 PHE A 17 -7.464 -1.358 8.646 1.00 62.30 C ATOM 253 CD2 PHE A 17 -8.891 0.516 9.010 1.00 71.33 C ATOM 254 CE1 PHE A 17 -8.492 -2.210 9.001 1.00 62.43 C ATOM 255 CE2 PHE A 17 -9.923 -0.331 9.363 1.00 52.43 C ATOM 256 CZ PHE A 17 -9.723 -1.695 9.359 1.00 43.21 C ATOM 0 H PHE A 17 -4.464 -0.323 8.983 1.00 65.22 H new ATOM 0 HA PHE A 17 -5.290 2.416 9.180 1.00 30.32 H new ATOM 0 HB2 PHE A 17 -6.966 1.828 7.791 1.00 11.52 H new ATOM 0 HB3 PHE A 17 -5.925 0.450 7.493 1.00 11.52 H new ATOM 0 HD1 PHE A 17 -6.505 -1.767 8.362 1.00 62.30 H new ATOM 0 HD2 PHE A 17 -9.052 1.584 9.014 1.00 71.33 H new ATOM 0 HE1 PHE A 17 -8.333 -3.278 8.999 1.00 62.43 H new ATOM 0 HE2 PHE A 17 -10.885 0.074 9.642 1.00 52.43 H new ATOM 0 HZ PHE A 17 -10.528 -2.360 9.635 1.00 43.21 H new ATOM 266 N GLU A 18 -6.246 0.304 11.477 1.00 51.23 N ATOM 267 CA GLU A 18 -6.919 0.185 12.767 1.00 31.01 C ATOM 268 C GLU A 18 -6.377 1.228 13.739 1.00 54.43 C ATOM 269 O GLU A 18 -7.093 1.720 14.605 1.00 0.13 O ATOM 270 CB GLU A 18 -6.717 -1.234 13.323 1.00 34.41 C ATOM 271 CG GLU A 18 -7.704 -1.658 14.407 1.00 34.15 C ATOM 272 CD GLU A 18 -7.339 -1.171 15.800 1.00 72.03 C ATOM 273 OE1 GLU A 18 -6.302 -1.611 16.335 1.00 32.25 O ATOM 274 OE2 GLU A 18 -8.103 -0.368 16.378 1.00 43.52 O ATOM 0 H GLU A 18 -5.706 -0.518 11.207 1.00 51.23 H new ATOM 0 HA GLU A 18 -7.987 0.363 12.637 1.00 31.01 H new ATOM 0 HB2 GLU A 18 -6.784 -1.942 12.497 1.00 34.41 H new ATOM 0 HB3 GLU A 18 -5.707 -1.308 13.726 1.00 34.41 H new ATOM 0 HG2 GLU A 18 -8.694 -1.282 14.150 1.00 34.15 H new ATOM 0 HG3 GLU A 18 -7.769 -2.746 14.419 1.00 34.15 H new ATOM 281 N ARG A 19 -5.111 1.577 13.570 1.00 34.40 N ATOM 282 CA ARG A 19 -4.448 2.492 14.486 1.00 24.13 C ATOM 283 C ARG A 19 -4.326 3.905 13.915 1.00 13.12 C ATOM 284 O ARG A 19 -4.514 4.889 14.632 1.00 25.30 O ATOM 285 CB ARG A 19 -3.083 1.925 14.857 1.00 75.15 C ATOM 286 CG ARG A 19 -3.207 0.575 15.534 1.00 60.31 C ATOM 287 CD ARG A 19 -1.866 -0.019 15.899 1.00 32.12 C ATOM 288 NE ARG A 19 -2.032 -1.152 16.806 1.00 10.53 N ATOM 289 CZ ARG A 19 -1.095 -2.050 17.078 1.00 32.02 C ATOM 290 NH1 ARG A 19 0.092 -1.981 16.493 1.00 22.44 N ATOM 291 NH2 ARG A 19 -1.361 -3.032 17.934 1.00 24.05 N ATOM 0 H ARG A 19 -4.523 1.241 12.808 1.00 34.40 H new ATOM 0 HA ARG A 19 -5.061 2.583 15.383 1.00 24.13 H new ATOM 0 HB2 ARG A 19 -2.472 1.828 13.960 1.00 75.15 H new ATOM 0 HB3 ARG A 19 -2.567 2.620 15.520 1.00 75.15 H new ATOM 0 HG2 ARG A 19 -3.811 0.679 16.435 1.00 60.31 H new ATOM 0 HG3 ARG A 19 -3.736 -0.111 14.873 1.00 60.31 H new ATOM 0 HD2 ARG A 19 -1.348 -0.343 14.996 1.00 32.12 H new ATOM 0 HD3 ARG A 19 -1.242 0.741 16.369 1.00 32.12 H new ATOM 0 HE ARG A 19 -2.937 -1.261 17.265 1.00 10.53 H new ATOM 0 HH11 ARG A 19 0.290 -1.233 15.828 1.00 22.44 H new ATOM 0 HH12 ARG A 19 0.807 -2.676 16.708 1.00 22.44 H new ATOM 0 HH21 ARG A 19 -2.279 -3.090 18.375 1.00 24.05 H new ATOM 0 HH22 ARG A 19 -0.647 -3.728 18.150 1.00 24.05 H new ATOM 305 N MET A 20 -4.017 4.010 12.629 1.00 21.20 N ATOM 306 CA MET A 20 -3.834 5.319 11.994 1.00 22.22 C ATOM 307 C MET A 20 -5.168 5.946 11.592 1.00 34.22 C ATOM 308 O MET A 20 -5.294 7.169 11.524 1.00 33.15 O ATOM 309 CB MET A 20 -2.941 5.204 10.755 1.00 3.11 C ATOM 310 CG MET A 20 -1.475 4.889 11.040 1.00 11.00 C ATOM 311 SD MET A 20 -0.568 6.259 11.795 1.00 34.01 S ATOM 312 CE MET A 20 -1.155 6.211 13.489 1.00 33.43 C ATOM 0 H MET A 20 -3.887 3.214 12.005 1.00 21.20 H new ATOM 0 HA MET A 20 -3.355 5.963 12.732 1.00 22.22 H new ATOM 0 HB2 MET A 20 -3.344 4.426 10.107 1.00 3.11 H new ATOM 0 HB3 MET A 20 -2.994 6.141 10.200 1.00 3.11 H new ATOM 0 HG2 MET A 20 -1.421 4.022 11.699 1.00 11.00 H new ATOM 0 HG3 MET A 20 -0.985 4.611 10.107 1.00 11.00 H new ATOM 0 HE1 MET A 20 -0.321 6.386 14.168 1.00 33.43 H new ATOM 0 HE2 MET A 20 -1.910 6.984 13.635 1.00 33.43 H new ATOM 0 HE3 MET A 20 -1.592 5.234 13.695 1.00 33.43 H new ATOM 322 N ILE A 21 -6.160 5.110 11.331 1.00 42.22 N ATOM 323 CA ILE A 21 -7.459 5.581 10.860 1.00 52.30 C ATOM 324 C ILE A 21 -8.499 5.426 11.974 1.00 30.45 C ATOM 325 O ILE A 21 -9.700 5.355 11.739 1.00 74.40 O ATOM 326 CB ILE A 21 -7.872 4.818 9.575 1.00 23.43 C ATOM 327 CG1 ILE A 21 -6.706 4.837 8.580 1.00 2.23 C ATOM 328 CG2 ILE A 21 -9.106 5.437 8.934 1.00 65.53 C ATOM 329 CD1 ILE A 21 -6.998 4.138 7.273 1.00 40.12 C ATOM 0 H ILE A 21 -6.093 4.098 11.437 1.00 42.22 H new ATOM 0 HA ILE A 21 -7.395 6.639 10.605 1.00 52.30 H new ATOM 0 HB ILE A 21 -8.116 3.791 9.847 1.00 23.43 H new ATOM 0 HG12 ILE A 21 -6.436 5.873 8.373 1.00 2.23 H new ATOM 0 HG13 ILE A 21 -5.839 4.368 9.044 1.00 2.23 H new ATOM 0 HG21 ILE A 21 -9.368 4.878 8.036 1.00 65.53 H new ATOM 0 HG22 ILE A 21 -9.937 5.403 9.638 1.00 65.53 H new ATOM 0 HG23 ILE A 21 -8.897 6.473 8.668 1.00 65.53 H new ATOM 0 HD11 ILE A 21 -6.123 4.197 6.626 1.00 40.12 H new ATOM 0 HD12 ILE A 21 -7.238 3.092 7.465 1.00 40.12 H new ATOM 0 HD13 ILE A 21 -7.844 4.620 6.784 1.00 40.12 H new ATOM 341 N ALA A 22 -8.010 5.382 13.207 1.00 24.35 N ATOM 342 CA ALA A 22 -8.881 5.380 14.375 1.00 1.24 C ATOM 343 C ALA A 22 -8.971 6.779 14.974 1.00 13.41 C ATOM 344 O ALA A 22 -9.631 6.997 15.993 1.00 34.24 O ATOM 345 CB ALA A 22 -8.377 4.391 15.412 1.00 24.44 C ATOM 0 H ALA A 22 -7.014 5.347 13.424 1.00 24.35 H new ATOM 0 HA ALA A 22 -9.879 5.073 14.061 1.00 1.24 H new ATOM 0 HB1 ALA A 22 -9.039 4.402 16.278 1.00 24.44 H new ATOM 0 HB2 ALA A 22 -8.360 3.390 14.982 1.00 24.44 H new ATOM 0 HB3 ALA A 22 -7.370 4.670 15.722 1.00 24.44 H new ATOM 351 N GLY A 23 -8.313 7.731 14.331 1.00 53.02 N ATOM 352 CA GLY A 23 -8.302 9.087 14.828 1.00 24.55 C ATOM 353 C GLY A 23 -8.714 10.080 13.768 1.00 50.21 C ATOM 354 O GLY A 23 -7.894 10.474 12.942 1.00 34.32 O ATOM 0 H GLY A 23 -7.785 7.586 13.470 1.00 53.02 H new ATOM 0 HA2 GLY A 23 -8.976 9.166 15.681 1.00 24.55 H new ATOM 0 HA3 GLY A 23 -7.303 9.334 15.187 1.00 24.55 H new ATOM 358 N ARG A 24 -9.989 10.466 13.794 1.00 45.33 N ATOM 359 CA ARG A 24 -10.551 11.411 12.829 1.00 63.04 C ATOM 360 C ARG A 24 -10.421 10.913 11.395 1.00 34.50 C ATOM 361 O ARG A 24 -9.401 11.114 10.736 1.00 21.32 O ATOM 362 CB ARG A 24 -9.907 12.787 12.965 1.00 23.11 C ATOM 363 CG ARG A 24 -10.369 13.550 14.190 1.00 43.25 C ATOM 364 CD ARG A 24 -11.872 13.750 14.178 1.00 44.45 C ATOM 365 NE ARG A 24 -12.325 14.426 12.963 1.00 11.50 N ATOM 366 CZ ARG A 24 -13.547 14.306 12.453 1.00 31.01 C ATOM 367 NH1 ARG A 24 -14.469 13.587 13.084 1.00 4.54 N ATOM 368 NH2 ARG A 24 -13.856 14.911 11.313 1.00 22.02 N ATOM 0 H ARG A 24 -10.662 10.133 14.484 1.00 45.33 H new ATOM 0 HA ARG A 24 -11.613 11.495 13.058 1.00 63.04 H new ATOM 0 HB2 ARG A 24 -8.824 12.671 13.006 1.00 23.11 H new ATOM 0 HB3 ARG A 24 -10.131 13.374 12.075 1.00 23.11 H new ATOM 0 HG2 ARG A 24 -10.079 13.008 15.090 1.00 43.25 H new ATOM 0 HG3 ARG A 24 -9.871 14.519 14.227 1.00 43.25 H new ATOM 0 HD2 ARG A 24 -12.367 12.782 14.261 1.00 44.45 H new ATOM 0 HD3 ARG A 24 -12.167 14.334 15.050 1.00 44.45 H new ATOM 0 HE ARG A 24 -11.661 15.028 12.476 1.00 11.50 H new ATOM 0 HH11 ARG A 24 -14.241 13.124 13.964 1.00 4.54 H new ATOM 0 HH12 ARG A 24 -15.405 13.498 12.689 1.00 4.54 H new ATOM 0 HH21 ARG A 24 -13.155 15.470 10.826 1.00 22.02 H new ATOM 0 HH22 ARG A 24 -14.794 14.817 10.924 1.00 22.02 H new ATOM 382 N TRP A 25 -11.469 10.269 10.915 1.00 52.23 N ATOM 383 CA TRP A 25 -11.469 9.738 9.559 1.00 34.41 C ATOM 384 C TRP A 25 -12.862 9.816 8.934 1.00 3.32 C ATOM 385 O TRP A 25 -13.013 10.342 7.831 1.00 53.15 O ATOM 386 CB TRP A 25 -10.951 8.285 9.567 1.00 24.20 C ATOM 387 CG TRP A 25 -11.868 7.290 10.221 1.00 15.12 C ATOM 388 CD1 TRP A 25 -12.597 6.330 9.589 1.00 71.31 C ATOM 389 CD2 TRP A 25 -12.188 7.181 11.619 1.00 54.53 C ATOM 390 NE1 TRP A 25 -13.331 5.615 10.502 1.00 61.33 N ATOM 391 CE2 TRP A 25 -13.103 6.120 11.753 1.00 61.42 C ATOM 392 CE3 TRP A 25 -11.787 7.868 12.765 1.00 15.13 C ATOM 393 CZ2 TRP A 25 -13.620 5.734 12.984 1.00 33.32 C ATOM 394 CZ3 TRP A 25 -12.304 7.485 13.987 1.00 24.04 C ATOM 395 CH2 TRP A 25 -13.212 6.426 14.088 1.00 52.43 C ATOM 0 H TRP A 25 -12.328 10.100 11.438 1.00 52.23 H new ATOM 0 HA TRP A 25 -10.803 10.347 8.948 1.00 34.41 H new ATOM 0 HB2 TRP A 25 -10.774 7.972 8.538 1.00 24.20 H new ATOM 0 HB3 TRP A 25 -9.988 8.261 10.078 1.00 24.20 H new ATOM 0 HD1 TRP A 25 -12.598 6.156 8.523 1.00 71.31 H new ATOM 0 HE1 TRP A 25 -13.948 4.833 10.283 1.00 61.33 H new ATOM 0 HE3 TRP A 25 -11.084 8.685 12.698 1.00 15.13 H new ATOM 0 HZ2 TRP A 25 -14.320 4.915 13.064 1.00 33.32 H new ATOM 0 HZ3 TRP A 25 -12.002 8.012 14.880 1.00 24.04 H new ATOM 0 HH2 TRP A 25 -13.598 6.150 15.058 1.00 52.43 H new ATOM 406 N LYS A 26 -13.869 9.352 9.684 1.00 74.12 N ATOM 407 CA LYS A 26 -15.261 9.268 9.222 1.00 53.23 C ATOM 408 C LYS A 26 -15.382 8.397 7.964 1.00 44.34 C ATOM 409 O LYS A 26 -14.730 8.649 6.952 1.00 43.12 O ATOM 410 CB LYS A 26 -15.852 10.660 8.973 1.00 3.33 C ATOM 411 CG LYS A 26 -17.374 10.668 8.916 1.00 45.11 C ATOM 412 CD LYS A 26 -17.976 10.230 10.244 1.00 31.41 C ATOM 413 CE LYS A 26 -19.492 10.123 10.173 1.00 34.15 C ATOM 414 NZ LYS A 26 -20.086 9.717 11.474 1.00 65.41 N ATOM 0 H LYS A 26 -13.739 9.020 10.640 1.00 74.12 H new ATOM 0 HA LYS A 26 -15.836 8.794 10.017 1.00 53.23 H new ATOM 0 HB2 LYS A 26 -15.522 11.334 9.763 1.00 3.33 H new ATOM 0 HB3 LYS A 26 -15.458 11.052 8.035 1.00 3.33 H new ATOM 0 HG2 LYS A 26 -17.726 11.669 8.666 1.00 45.11 H new ATOM 0 HG3 LYS A 26 -17.715 10.003 8.122 1.00 45.11 H new ATOM 0 HD2 LYS A 26 -17.557 9.266 10.532 1.00 31.41 H new ATOM 0 HD3 LYS A 26 -17.699 10.943 11.021 1.00 31.41 H new ATOM 0 HE2 LYS A 26 -19.909 11.083 9.869 1.00 34.15 H new ATOM 0 HE3 LYS A 26 -19.768 9.398 9.407 1.00 34.15 H new ATOM 0 HZ1 LYS A 26 -21.120 9.657 11.380 1.00 65.41 H new ATOM 0 HZ2 LYS A 26 -19.709 8.789 11.753 1.00 65.41 H new ATOM 0 HZ3 LYS A 26 -19.845 10.421 12.200 1.00 65.41 H new ATOM 428 N HIS A 27 -16.234 7.375 8.043 1.00 20.22 N ATOM 429 CA HIS A 27 -16.406 6.406 6.959 1.00 5.45 C ATOM 430 C HIS A 27 -15.178 5.519 6.822 1.00 30.23 C ATOM 431 O HIS A 27 -14.313 5.765 5.978 1.00 41.42 O ATOM 432 CB HIS A 27 -16.695 7.087 5.616 1.00 13.32 C ATOM 433 CG HIS A 27 -18.129 7.432 5.387 1.00 43.44 C ATOM 434 ND1 HIS A 27 -18.608 8.722 5.397 1.00 11.43 N ATOM 435 CD2 HIS A 27 -19.186 6.644 5.098 1.00 62.44 C ATOM 436 CE1 HIS A 27 -19.894 8.710 5.118 1.00 11.02 C ATOM 437 NE2 HIS A 27 -20.271 7.459 4.933 1.00 63.23 N ATOM 0 H HIS A 27 -16.823 7.195 8.856 1.00 20.22 H new ATOM 0 HA HIS A 27 -17.268 5.794 7.223 1.00 5.45 H new ATOM 0 HB2 HIS A 27 -16.101 7.999 5.551 1.00 13.32 H new ATOM 0 HB3 HIS A 27 -16.360 6.431 4.812 1.00 13.32 H new ATOM 0 HD2 HIS A 27 -19.176 5.567 5.013 1.00 62.44 H new ATOM 0 HE1 HIS A 27 -20.533 9.578 5.052 1.00 11.02 H new ATOM 0 HE2 HIS A 27 -21.216 7.151 4.705 1.00 63.23 H new ATOM 446 N PRO A 28 -15.089 4.463 7.639 1.00 70.54 N ATOM 447 CA PRO A 28 -13.955 3.544 7.605 1.00 40.02 C ATOM 448 C PRO A 28 -13.987 2.695 6.337 1.00 43.42 C ATOM 449 O PRO A 28 -12.976 2.148 5.897 1.00 44.22 O ATOM 450 CB PRO A 28 -14.153 2.653 8.841 1.00 62.13 C ATOM 451 CG PRO A 28 -15.284 3.251 9.614 1.00 31.31 C ATOM 452 CD PRO A 28 -16.088 4.068 8.642 1.00 42.24 C ATOM 0 HA PRO A 28 -12.999 4.067 7.608 1.00 40.02 H new ATOM 0 HB2 PRO A 28 -14.381 1.628 8.549 1.00 62.13 H new ATOM 0 HB3 PRO A 28 -13.246 2.618 9.444 1.00 62.13 H new ATOM 0 HG2 PRO A 28 -15.898 2.472 10.066 1.00 31.31 H new ATOM 0 HG3 PRO A 28 -14.910 3.874 10.427 1.00 31.31 H new ATOM 0 HD2 PRO A 28 -16.897 3.488 8.199 1.00 42.24 H new ATOM 0 HD3 PRO A 28 -16.543 4.934 9.122 1.00 42.24 H new ATOM 460 N ASN A 29 -15.175 2.612 5.748 1.00 60.23 N ATOM 461 CA ASN A 29 -15.407 1.792 4.567 1.00 45.45 C ATOM 462 C ASN A 29 -14.864 2.462 3.308 1.00 24.24 C ATOM 463 O ASN A 29 -14.540 1.786 2.332 1.00 10.03 O ATOM 464 CB ASN A 29 -16.905 1.489 4.401 1.00 62.34 C ATOM 465 CG ASN A 29 -17.762 2.738 4.228 1.00 20.42 C ATOM 466 OD1 ASN A 29 -17.467 3.802 4.779 1.00 40.52 O ATOM 467 ND2 ASN A 29 -18.837 2.614 3.466 1.00 32.11 N ATOM 0 H ASN A 29 -16.002 3.111 6.076 1.00 60.23 H new ATOM 0 HA ASN A 29 -14.871 0.853 4.709 1.00 45.45 H new ATOM 0 HB2 ASN A 29 -17.043 0.841 3.536 1.00 62.34 H new ATOM 0 HB3 ASN A 29 -17.255 0.936 5.273 1.00 62.34 H new ATOM 0 HD21 ASN A 29 -19.453 3.414 3.319 1.00 32.11 H new ATOM 0 HD22 ASN A 29 -19.050 1.719 3.026 1.00 32.11 H new ATOM 474 N ILE A 30 -14.754 3.785 3.327 1.00 13.23 N ATOM 475 CA ILE A 30 -14.218 4.510 2.183 1.00 64.22 C ATOM 476 C ILE A 30 -12.730 4.215 2.022 1.00 74.03 C ATOM 477 O ILE A 30 -12.267 3.873 0.930 1.00 24.00 O ATOM 478 CB ILE A 30 -14.440 6.037 2.303 1.00 52.53 C ATOM 479 CG1 ILE A 30 -15.932 6.363 2.182 1.00 1.15 C ATOM 480 CG2 ILE A 30 -13.639 6.789 1.245 1.00 23.43 C ATOM 481 CD1 ILE A 30 -16.243 7.847 2.209 1.00 74.22 C ATOM 0 H ILE A 30 -15.026 4.373 4.115 1.00 13.23 H new ATOM 0 HA ILE A 30 -14.758 4.166 1.301 1.00 64.22 H new ATOM 0 HB ILE A 30 -14.088 6.361 3.283 1.00 52.53 H new ATOM 0 HG12 ILE A 30 -16.312 5.939 1.252 1.00 1.15 H new ATOM 0 HG13 ILE A 30 -16.467 5.875 2.997 1.00 1.15 H new ATOM 0 HG21 ILE A 30 -13.812 7.860 1.351 1.00 23.43 H new ATOM 0 HG22 ILE A 30 -12.577 6.579 1.375 1.00 23.43 H new ATOM 0 HG23 ILE A 30 -13.954 6.467 0.253 1.00 23.43 H new ATOM 0 HD11 ILE A 30 -17.319 7.995 2.118 1.00 74.22 H new ATOM 0 HD12 ILE A 30 -15.896 8.274 3.150 1.00 74.22 H new ATOM 0 HD13 ILE A 30 -15.738 8.340 1.378 1.00 74.22 H new ATOM 493 N VAL A 31 -11.992 4.311 3.119 1.00 44.15 N ATOM 494 CA VAL A 31 -10.561 4.067 3.082 1.00 24.21 C ATOM 495 C VAL A 31 -10.271 2.573 2.932 1.00 64.53 C ATOM 496 O VAL A 31 -9.276 2.188 2.324 1.00 54.40 O ATOM 497 CB VAL A 31 -9.841 4.639 4.326 1.00 44.04 C ATOM 498 CG1 VAL A 31 -10.249 3.902 5.593 1.00 55.11 C ATOM 499 CG2 VAL A 31 -8.331 4.606 4.132 1.00 13.31 C ATOM 0 H VAL A 31 -12.359 4.555 4.039 1.00 44.15 H new ATOM 0 HA VAL A 31 -10.167 4.590 2.211 1.00 24.21 H new ATOM 0 HB VAL A 31 -10.147 5.678 4.443 1.00 44.04 H new ATOM 0 HG11 VAL A 31 -9.724 4.330 6.448 1.00 55.11 H new ATOM 0 HG12 VAL A 31 -11.324 4.001 5.741 1.00 55.11 H new ATOM 0 HG13 VAL A 31 -9.991 2.847 5.499 1.00 55.11 H new ATOM 0 HG21 VAL A 31 -7.841 5.012 5.017 1.00 13.31 H new ATOM 0 HG22 VAL A 31 -8.006 3.577 3.978 1.00 13.31 H new ATOM 0 HG23 VAL A 31 -8.063 5.205 3.262 1.00 13.31 H new ATOM 509 N ARG A 32 -11.160 1.732 3.459 1.00 22.21 N ATOM 510 CA ARG A 32 -11.039 0.288 3.279 1.00 33.23 C ATOM 511 C ARG A 32 -11.157 -0.069 1.803 1.00 53.25 C ATOM 512 O ARG A 32 -10.469 -0.962 1.315 1.00 53.21 O ATOM 513 CB ARG A 32 -12.108 -0.453 4.083 1.00 62.21 C ATOM 514 CG ARG A 32 -11.545 -1.324 5.195 1.00 61.35 C ATOM 515 CD ARG A 32 -10.821 -2.549 4.650 1.00 53.42 C ATOM 516 NE ARG A 32 -10.226 -3.349 5.724 1.00 73.04 N ATOM 517 CZ ARG A 32 -9.801 -4.608 5.576 1.00 32.32 C ATOM 518 NH1 ARG A 32 -9.802 -5.183 4.379 1.00 2.21 N ATOM 519 NH2 ARG A 32 -9.338 -5.281 6.625 1.00 25.02 N ATOM 0 H ARG A 32 -11.967 2.024 4.011 1.00 22.21 H new ATOM 0 HA ARG A 32 -10.059 -0.020 3.644 1.00 33.23 H new ATOM 0 HB2 ARG A 32 -12.794 0.275 4.516 1.00 62.21 H new ATOM 0 HB3 ARG A 32 -12.692 -1.077 3.406 1.00 62.21 H new ATOM 0 HG2 ARG A 32 -10.856 -0.736 5.802 1.00 61.35 H new ATOM 0 HG3 ARG A 32 -12.355 -1.644 5.851 1.00 61.35 H new ATOM 0 HD2 ARG A 32 -11.521 -3.163 4.084 1.00 53.42 H new ATOM 0 HD3 ARG A 32 -10.041 -2.233 3.957 1.00 53.42 H new ATOM 0 HE ARG A 32 -10.130 -2.918 6.643 1.00 73.04 H new ATOM 0 HH11 ARG A 32 -10.129 -4.664 3.564 1.00 2.21 H new ATOM 0 HH12 ARG A 32 -9.476 -6.144 4.275 1.00 2.21 H new ATOM 0 HH21 ARG A 32 -9.307 -4.837 7.543 1.00 25.02 H new ATOM 0 HH22 ARG A 32 -9.014 -6.241 6.512 1.00 25.02 H new ATOM 533 N SER A 33 -12.023 0.648 1.096 1.00 41.51 N ATOM 534 CA SER A 33 -12.172 0.461 -0.339 1.00 75.25 C ATOM 535 C SER A 33 -10.891 0.875 -1.063 1.00 33.13 C ATOM 536 O SER A 33 -10.570 0.344 -2.123 1.00 60.15 O ATOM 537 CB SER A 33 -13.370 1.263 -0.857 1.00 61.24 C ATOM 538 OG SER A 33 -14.571 0.844 -0.224 1.00 43.22 O ATOM 0 H SER A 33 -12.631 1.363 1.494 1.00 41.51 H new ATOM 0 HA SER A 33 -12.353 -0.595 -0.539 1.00 75.25 H new ATOM 0 HB2 SER A 33 -13.209 2.325 -0.673 1.00 61.24 H new ATOM 0 HB3 SER A 33 -13.459 1.136 -1.936 1.00 61.24 H new ATOM 0 HG SER A 33 -14.570 1.142 0.710 1.00 43.22 H new ATOM 544 N ARG A 34 -10.155 1.816 -0.479 1.00 11.22 N ATOM 545 CA ARG A 34 -8.870 2.224 -1.025 1.00 50.41 C ATOM 546 C ARG A 34 -7.836 1.142 -0.780 1.00 0.24 C ATOM 547 O ARG A 34 -7.051 0.821 -1.658 1.00 61.41 O ATOM 548 CB ARG A 34 -8.400 3.534 -0.399 1.00 62.34 C ATOM 549 CG ARG A 34 -7.095 4.042 -0.979 1.00 74.40 C ATOM 550 CD ARG A 34 -6.692 5.363 -0.360 1.00 74.00 C ATOM 551 NE ARG A 34 -5.438 5.862 -0.918 1.00 64.00 N ATOM 552 CZ ARG A 34 -4.781 6.914 -0.435 1.00 45.12 C ATOM 553 NH1 ARG A 34 -5.285 7.602 0.585 1.00 71.11 N ATOM 554 NH2 ARG A 34 -3.625 7.278 -0.978 1.00 30.20 N ATOM 0 H ARG A 34 -10.428 2.308 0.371 1.00 11.22 H new ATOM 0 HA ARG A 34 -8.990 2.377 -2.097 1.00 50.41 H new ATOM 0 HB2 ARG A 34 -9.171 4.292 -0.538 1.00 62.34 H new ATOM 0 HB3 ARG A 34 -8.282 3.393 0.675 1.00 62.34 H new ATOM 0 HG2 ARG A 34 -6.309 3.305 -0.811 1.00 74.40 H new ATOM 0 HG3 ARG A 34 -7.196 4.160 -2.058 1.00 74.40 H new ATOM 0 HD2 ARG A 34 -7.481 6.097 -0.524 1.00 74.00 H new ATOM 0 HD3 ARG A 34 -6.588 5.243 0.718 1.00 74.00 H new ATOM 0 HE ARG A 34 -5.043 5.377 -1.724 1.00 64.00 H new ATOM 0 HH11 ARG A 34 -6.175 7.324 0.998 1.00 71.11 H new ATOM 0 HH12 ARG A 34 -4.781 8.408 0.955 1.00 71.11 H new ATOM 0 HH21 ARG A 34 -3.242 6.752 -1.764 1.00 30.20 H new ATOM 0 HH22 ARG A 34 -3.120 8.084 -0.610 1.00 30.20 H new ATOM 568 N ILE A 35 -7.847 0.577 0.416 1.00 41.20 N ATOM 569 CA ILE A 35 -6.932 -0.508 0.753 1.00 3.23 C ATOM 570 C ILE A 35 -7.110 -1.672 -0.223 1.00 22.54 C ATOM 571 O ILE A 35 -6.142 -2.195 -0.782 1.00 50.42 O ATOM 572 CB ILE A 35 -7.174 -1.013 2.193 1.00 40.41 C ATOM 573 CG1 ILE A 35 -7.085 0.144 3.188 1.00 65.03 C ATOM 574 CG2 ILE A 35 -6.170 -2.096 2.553 1.00 34.41 C ATOM 575 CD1 ILE A 35 -7.411 -0.250 4.614 1.00 65.34 C ATOM 0 H ILE A 35 -8.477 0.849 1.171 1.00 41.20 H new ATOM 0 HA ILE A 35 -5.916 -0.120 0.682 1.00 3.23 H new ATOM 0 HB ILE A 35 -8.176 -1.438 2.244 1.00 40.41 H new ATOM 0 HG12 ILE A 35 -6.078 0.561 3.157 1.00 65.03 H new ATOM 0 HG13 ILE A 35 -7.767 0.934 2.874 1.00 65.03 H new ATOM 0 HG21 ILE A 35 -6.355 -2.440 3.571 1.00 34.41 H new ATOM 0 HG22 ILE A 35 -6.274 -2.933 1.862 1.00 34.41 H new ATOM 0 HG23 ILE A 35 -5.160 -1.693 2.485 1.00 34.41 H new ATOM 0 HD11 ILE A 35 -7.326 0.623 5.261 1.00 65.34 H new ATOM 0 HD12 ILE A 35 -8.428 -0.639 4.661 1.00 65.34 H new ATOM 0 HD13 ILE A 35 -6.713 -1.018 4.948 1.00 65.34 H new ATOM 587 N GLU A 36 -8.367 -2.037 -0.429 1.00 11.14 N ATOM 588 CA GLU A 36 -8.759 -3.124 -1.325 1.00 31.24 C ATOM 589 C GLU A 36 -8.386 -2.846 -2.789 1.00 72.34 C ATOM 590 O GLU A 36 -8.283 -3.772 -3.591 1.00 73.24 O ATOM 591 CB GLU A 36 -10.279 -3.309 -1.229 1.00 3.11 C ATOM 592 CG GLU A 36 -10.768 -4.283 -0.159 1.00 52.53 C ATOM 593 CD GLU A 36 -9.718 -4.698 0.845 1.00 42.20 C ATOM 594 OE1 GLU A 36 -9.567 -4.031 1.886 1.00 1.22 O ATOM 595 OE2 GLU A 36 -9.070 -5.738 0.612 1.00 31.43 O ATOM 0 H GLU A 36 -9.158 -1.582 0.027 1.00 11.14 H new ATOM 0 HA GLU A 36 -8.223 -4.021 -1.015 1.00 31.24 H new ATOM 0 HB2 GLU A 36 -10.732 -2.336 -1.041 1.00 3.11 H new ATOM 0 HB3 GLU A 36 -10.646 -3.650 -2.197 1.00 3.11 H new ATOM 0 HG2 GLU A 36 -11.601 -3.826 0.375 1.00 52.53 H new ATOM 0 HG3 GLU A 36 -11.155 -5.176 -0.650 1.00 52.53 H new ATOM 602 N LYS A 37 -8.207 -1.580 -3.141 1.00 73.23 N ATOM 603 CA LYS A 37 -8.017 -1.197 -4.535 1.00 63.43 C ATOM 604 C LYS A 37 -6.582 -0.737 -4.818 1.00 24.44 C ATOM 605 O LYS A 37 -5.998 -1.103 -5.842 1.00 3.44 O ATOM 606 CB LYS A 37 -9.038 -0.108 -4.890 1.00 70.44 C ATOM 607 CG LYS A 37 -8.810 0.575 -6.225 1.00 20.45 C ATOM 608 CD LYS A 37 -8.169 1.941 -6.041 1.00 35.25 C ATOM 609 CE LYS A 37 -9.075 2.882 -5.259 1.00 41.11 C ATOM 610 NZ LYS A 37 -8.430 4.199 -5.019 1.00 2.44 N ATOM 0 H LYS A 37 -8.189 -0.801 -2.482 1.00 73.23 H new ATOM 0 HA LYS A 37 -8.181 -2.070 -5.166 1.00 63.43 H new ATOM 0 HB2 LYS A 37 -10.034 -0.551 -4.891 1.00 70.44 H new ATOM 0 HB3 LYS A 37 -9.027 0.649 -4.105 1.00 70.44 H new ATOM 0 HG2 LYS A 37 -8.171 -0.048 -6.851 1.00 20.45 H new ATOM 0 HG3 LYS A 37 -9.760 0.684 -6.748 1.00 20.45 H new ATOM 0 HD2 LYS A 37 -7.219 1.831 -5.518 1.00 35.25 H new ATOM 0 HD3 LYS A 37 -7.948 2.374 -7.016 1.00 35.25 H new ATOM 0 HE2 LYS A 37 -10.006 3.028 -5.807 1.00 41.11 H new ATOM 0 HE3 LYS A 37 -9.335 2.426 -4.304 1.00 41.11 H new ATOM 0 HZ1 LYS A 37 -9.103 4.834 -4.544 1.00 2.44 H new ATOM 0 HZ2 LYS A 37 -7.591 4.070 -4.418 1.00 2.44 H new ATOM 0 HZ3 LYS A 37 -8.144 4.616 -5.928 1.00 2.44 H new ATOM 624 N ASP A 38 -6.029 0.061 -3.914 1.00 55.51 N ATOM 625 CA ASP A 38 -4.682 0.613 -4.067 1.00 22.04 C ATOM 626 C ASP A 38 -3.619 -0.393 -3.647 1.00 23.12 C ATOM 627 O ASP A 38 -2.821 -0.852 -4.462 1.00 51.13 O ATOM 628 CB ASP A 38 -4.520 1.883 -3.213 1.00 41.44 C ATOM 629 CG ASP A 38 -5.008 3.149 -3.887 1.00 44.42 C ATOM 630 OD1 ASP A 38 -6.236 3.362 -3.938 1.00 73.42 O ATOM 631 OD2 ASP A 38 -4.162 3.954 -4.329 1.00 24.43 O ATOM 0 H ASP A 38 -6.498 0.346 -3.054 1.00 55.51 H new ATOM 0 HA ASP A 38 -4.550 0.853 -5.122 1.00 22.04 H new ATOM 0 HB2 ASP A 38 -5.063 1.750 -2.277 1.00 41.44 H new ATOM 0 HB3 ASP A 38 -3.467 2.003 -2.957 1.00 41.44 H new ATOM 636 N ILE A 39 -3.632 -0.735 -2.365 1.00 43.55 N ATOM 637 CA ILE A 39 -2.565 -1.524 -1.761 1.00 14.04 C ATOM 638 C ILE A 39 -2.672 -3.001 -2.126 1.00 64.54 C ATOM 639 O ILE A 39 -1.711 -3.605 -2.598 1.00 52.23 O ATOM 640 CB ILE A 39 -2.584 -1.389 -0.222 1.00 30.24 C ATOM 641 CG1 ILE A 39 -2.505 0.084 0.186 1.00 53.42 C ATOM 642 CG2 ILE A 39 -1.441 -2.182 0.400 1.00 25.34 C ATOM 643 CD1 ILE A 39 -2.606 0.309 1.680 1.00 40.35 C ATOM 0 H ILE A 39 -4.377 -0.476 -1.718 1.00 43.55 H new ATOM 0 HA ILE A 39 -1.627 -1.133 -2.155 1.00 14.04 H new ATOM 0 HB ILE A 39 -3.524 -1.798 0.149 1.00 30.24 H new ATOM 0 HG12 ILE A 39 -1.564 0.501 -0.172 1.00 53.42 H new ATOM 0 HG13 ILE A 39 -3.306 0.632 -0.310 1.00 53.42 H new ATOM 0 HG21 ILE A 39 -1.471 -2.074 1.484 1.00 25.34 H new ATOM 0 HG22 ILE A 39 -1.543 -3.235 0.137 1.00 25.34 H new ATOM 0 HG23 ILE A 39 -0.490 -1.805 0.024 1.00 25.34 H new ATOM 0 HD11 ILE A 39 -2.542 1.376 1.892 1.00 40.35 H new ATOM 0 HD12 ILE A 39 -3.559 -0.077 2.042 1.00 40.35 H new ATOM 0 HD13 ILE A 39 -1.790 -0.210 2.182 1.00 40.35 H new ATOM 655 N LYS A 40 -3.842 -3.577 -1.910 1.00 54.23 N ATOM 656 CA LYS A 40 -4.019 -5.010 -2.081 1.00 75.15 C ATOM 657 C LYS A 40 -5.237 -5.345 -2.935 1.00 62.14 C ATOM 658 O LYS A 40 -6.264 -5.791 -2.420 1.00 44.01 O ATOM 659 CB LYS A 40 -4.102 -5.695 -0.708 1.00 0.13 C ATOM 660 CG LYS A 40 -4.564 -4.767 0.409 1.00 21.10 C ATOM 661 CD LYS A 40 -5.988 -5.050 0.850 1.00 72.20 C ATOM 662 CE LYS A 40 -6.077 -6.317 1.678 1.00 72.12 C ATOM 663 NZ LYS A 40 -7.369 -6.415 2.399 1.00 12.03 N ATOM 0 H LYS A 40 -4.681 -3.077 -1.617 1.00 54.23 H new ATOM 0 HA LYS A 40 -3.150 -5.391 -2.617 1.00 75.15 H new ATOM 0 HB2 LYS A 40 -4.787 -6.540 -0.774 1.00 0.13 H new ATOM 0 HB3 LYS A 40 -3.122 -6.098 -0.452 1.00 0.13 H new ATOM 0 HG2 LYS A 40 -3.895 -4.872 1.263 1.00 21.10 H new ATOM 0 HG3 LYS A 40 -4.491 -3.733 0.071 1.00 21.10 H new ATOM 0 HD2 LYS A 40 -6.363 -4.208 1.432 1.00 72.20 H new ATOM 0 HD3 LYS A 40 -6.629 -5.142 -0.027 1.00 72.20 H new ATOM 0 HE2 LYS A 40 -5.956 -7.184 1.029 1.00 72.12 H new ATOM 0 HE3 LYS A 40 -5.257 -6.340 2.396 1.00 72.12 H new ATOM 0 HZ1 LYS A 40 -7.398 -7.303 2.940 1.00 12.03 H new ATOM 0 HZ2 LYS A 40 -7.465 -5.609 3.050 1.00 12.03 H new ATOM 0 HZ3 LYS A 40 -8.151 -6.402 1.713 1.00 12.03 H new ATOM 677 N PRO A 41 -5.141 -5.127 -4.259 1.00 44.43 N ATOM 678 CA PRO A 41 -6.205 -5.496 -5.191 1.00 33.12 C ATOM 679 C PRO A 41 -6.288 -7.005 -5.387 1.00 24.52 C ATOM 680 O PRO A 41 -7.356 -7.600 -5.238 1.00 10.34 O ATOM 681 CB PRO A 41 -5.812 -4.795 -6.494 1.00 41.11 C ATOM 682 CG PRO A 41 -4.336 -4.594 -6.405 1.00 11.34 C ATOM 683 CD PRO A 41 -4.005 -4.477 -4.940 1.00 15.41 C ATOM 0 HA PRO A 41 -7.189 -5.200 -4.829 1.00 33.12 H new ATOM 0 HB2 PRO A 41 -6.075 -5.401 -7.361 1.00 41.11 H new ATOM 0 HB3 PRO A 41 -6.333 -3.843 -6.601 1.00 41.11 H new ATOM 0 HG2 PRO A 41 -3.803 -5.431 -6.857 1.00 11.34 H new ATOM 0 HG3 PRO A 41 -4.034 -3.696 -6.943 1.00 11.34 H new ATOM 0 HD2 PRO A 41 -3.063 -4.972 -4.704 1.00 15.41 H new ATOM 0 HD3 PRO A 41 -3.902 -3.435 -4.637 1.00 15.41 H new ATOM 691 N ALA A 42 -5.161 -7.627 -5.710 1.00 41.12 N ATOM 692 CA ALA A 42 -5.121 -9.070 -5.896 1.00 71.45 C ATOM 693 C ALA A 42 -3.814 -9.659 -5.388 1.00 54.45 C ATOM 694 O ALA A 42 -3.514 -10.830 -5.623 1.00 4.13 O ATOM 695 CB ALA A 42 -5.322 -9.419 -7.362 1.00 33.02 C ATOM 0 H ALA A 42 -4.267 -7.156 -5.848 1.00 41.12 H new ATOM 0 HA ALA A 42 -5.933 -9.505 -5.313 1.00 71.45 H new ATOM 0 HB1 ALA A 42 -5.290 -10.501 -7.486 1.00 33.02 H new ATOM 0 HB2 ALA A 42 -6.290 -9.044 -7.696 1.00 33.02 H new ATOM 0 HB3 ALA A 42 -4.531 -8.962 -7.957 1.00 33.02 H new ATOM 701 N ILE A 43 -3.050 -8.855 -4.668 1.00 35.33 N ATOM 702 CA ILE A 43 -1.762 -9.290 -4.155 1.00 32.41 C ATOM 703 C ILE A 43 -1.819 -9.477 -2.645 1.00 31.43 C ATOM 704 O ILE A 43 -0.789 -9.606 -1.988 1.00 43.42 O ATOM 705 CB ILE A 43 -0.649 -8.284 -4.503 1.00 24.15 C ATOM 706 CG1 ILE A 43 -1.079 -6.866 -4.129 1.00 25.41 C ATOM 707 CG2 ILE A 43 -0.301 -8.369 -5.983 1.00 3.32 C ATOM 708 CD1 ILE A 43 0.057 -5.866 -4.140 1.00 10.31 C ATOM 0 H ILE A 43 -3.300 -7.896 -4.425 1.00 35.33 H new ATOM 0 HA ILE A 43 -1.531 -10.244 -4.629 1.00 32.41 H new ATOM 0 HB ILE A 43 0.242 -8.535 -3.927 1.00 24.15 H new ATOM 0 HG12 ILE A 43 -1.851 -6.534 -4.823 1.00 25.41 H new ATOM 0 HG13 ILE A 43 -1.529 -6.882 -3.136 1.00 25.41 H new ATOM 0 HG21 ILE A 43 0.487 -7.652 -6.213 1.00 3.32 H new ATOM 0 HG22 ILE A 43 0.044 -9.376 -6.218 1.00 3.32 H new ATOM 0 HG23 ILE A 43 -1.185 -8.140 -6.578 1.00 3.32 H new ATOM 0 HD11 ILE A 43 -0.322 -4.882 -3.865 1.00 10.31 H new ATOM 0 HD12 ILE A 43 0.820 -6.174 -3.425 1.00 10.31 H new ATOM 0 HD13 ILE A 43 0.493 -5.821 -5.138 1.00 10.31 H new ATOM 720 N GLY A 44 -3.032 -9.515 -2.104 1.00 71.31 N ATOM 721 CA GLY A 44 -3.209 -9.662 -0.671 1.00 13.53 C ATOM 722 C GLY A 44 -2.790 -11.028 -0.166 1.00 55.32 C ATOM 723 O GLY A 44 -2.621 -11.229 1.035 1.00 12.50 O ATOM 0 H GLY A 44 -3.900 -9.446 -2.635 1.00 71.31 H new ATOM 0 HA2 GLY A 44 -2.629 -8.896 -0.157 1.00 13.53 H new ATOM 0 HA3 GLY A 44 -4.256 -9.492 -0.419 1.00 13.53 H new ATOM 727 N SER A 45 -2.630 -11.972 -1.081 1.00 71.03 N ATOM 728 CA SER A 45 -2.176 -13.306 -0.728 1.00 50.32 C ATOM 729 C SER A 45 -0.659 -13.323 -0.552 1.00 71.33 C ATOM 730 O SER A 45 -0.092 -14.283 -0.029 1.00 13.02 O ATOM 731 CB SER A 45 -2.588 -14.301 -1.814 1.00 5.50 C ATOM 732 OG SER A 45 -3.975 -14.194 -2.107 1.00 53.42 O ATOM 0 H SER A 45 -2.809 -11.837 -2.076 1.00 71.03 H new ATOM 0 HA SER A 45 -2.639 -13.595 0.215 1.00 50.32 H new ATOM 0 HB2 SER A 45 -2.007 -14.118 -2.718 1.00 5.50 H new ATOM 0 HB3 SER A 45 -2.359 -15.316 -1.488 1.00 5.50 H new ATOM 0 HG SER A 45 -4.213 -14.839 -2.805 1.00 53.42 H new ATOM 738 N LEU A 46 -0.014 -12.245 -0.979 1.00 71.44 N ATOM 739 CA LEU A 46 1.434 -12.147 -0.924 1.00 64.51 C ATOM 740 C LEU A 46 1.881 -11.580 0.417 1.00 75.54 C ATOM 741 O LEU A 46 1.293 -10.625 0.930 1.00 44.14 O ATOM 742 CB LEU A 46 1.970 -11.281 -2.075 1.00 35.41 C ATOM 743 CG LEU A 46 1.979 -11.943 -3.463 1.00 54.30 C ATOM 744 CD1 LEU A 46 0.572 -12.256 -3.951 1.00 74.34 C ATOM 745 CD2 LEU A 46 2.696 -11.056 -4.464 1.00 2.35 C ATOM 0 H LEU A 46 -0.476 -11.424 -1.369 1.00 71.44 H new ATOM 0 HA LEU A 46 1.844 -13.151 -1.032 1.00 64.51 H new ATOM 0 HB2 LEU A 46 1.370 -10.372 -2.131 1.00 35.41 H new ATOM 0 HB3 LEU A 46 2.988 -10.977 -1.832 1.00 35.41 H new ATOM 0 HG LEU A 46 2.514 -12.888 -3.372 1.00 54.30 H new ATOM 0 HD11 LEU A 46 0.623 -12.723 -4.935 1.00 74.34 H new ATOM 0 HD12 LEU A 46 0.087 -12.937 -3.251 1.00 74.34 H new ATOM 0 HD13 LEU A 46 -0.004 -11.333 -4.017 1.00 74.34 H new ATOM 0 HD21 LEU A 46 2.695 -11.537 -5.442 1.00 2.35 H new ATOM 0 HD22 LEU A 46 2.185 -10.096 -4.531 1.00 2.35 H new ATOM 0 HD23 LEU A 46 3.724 -10.898 -4.139 1.00 2.35 H new ATOM 757 N LYS A 47 2.914 -12.181 0.988 1.00 4.14 N ATOM 758 CA LYS A 47 3.429 -11.748 2.278 1.00 33.11 C ATOM 759 C LYS A 47 4.329 -10.532 2.127 1.00 24.02 C ATOM 760 O LYS A 47 4.565 -10.053 1.020 1.00 43.32 O ATOM 761 CB LYS A 47 4.194 -12.876 2.963 1.00 41.22 C ATOM 762 CG LYS A 47 3.322 -14.060 3.332 1.00 72.01 C ATOM 763 CD LYS A 47 4.129 -15.167 3.980 1.00 33.14 C ATOM 764 CE LYS A 47 5.243 -15.649 3.065 1.00 4.00 C ATOM 765 NZ LYS A 47 5.736 -16.996 3.452 1.00 71.12 N ATOM 0 H LYS A 47 3.413 -12.971 0.578 1.00 4.14 H new ATOM 0 HA LYS A 47 2.575 -11.474 2.898 1.00 33.11 H new ATOM 0 HB2 LYS A 47 4.993 -13.215 2.304 1.00 41.22 H new ATOM 0 HB3 LYS A 47 4.667 -12.488 3.865 1.00 41.22 H new ATOM 0 HG2 LYS A 47 2.536 -13.735 4.014 1.00 72.01 H new ATOM 0 HG3 LYS A 47 2.830 -14.443 2.438 1.00 72.01 H new ATOM 0 HD2 LYS A 47 4.555 -14.808 4.917 1.00 33.14 H new ATOM 0 HD3 LYS A 47 3.472 -16.001 4.227 1.00 33.14 H new ATOM 0 HE2 LYS A 47 4.882 -15.677 2.037 1.00 4.00 H new ATOM 0 HE3 LYS A 47 6.069 -14.938 3.094 1.00 4.00 H new ATOM 0 HZ1 LYS A 47 6.495 -17.288 2.803 1.00 71.12 H new ATOM 0 HZ2 LYS A 47 6.105 -16.965 4.424 1.00 71.12 H new ATOM 0 HZ3 LYS A 47 4.954 -17.680 3.400 1.00 71.12 H new ATOM 779 N VAL A 48 4.850 -10.057 3.247 1.00 55.12 N ATOM 780 CA VAL A 48 5.668 -8.847 3.256 1.00 11.22 C ATOM 781 C VAL A 48 7.002 -9.090 2.548 1.00 21.32 C ATOM 782 O VAL A 48 7.605 -8.173 1.994 1.00 62.15 O ATOM 783 CB VAL A 48 5.930 -8.352 4.694 1.00 2.44 C ATOM 784 CG1 VAL A 48 6.465 -6.928 4.682 1.00 50.05 C ATOM 785 CG2 VAL A 48 4.668 -8.444 5.537 1.00 5.21 C ATOM 0 H VAL A 48 4.723 -10.488 4.163 1.00 55.12 H new ATOM 0 HA VAL A 48 5.112 -8.077 2.721 1.00 11.22 H new ATOM 0 HB VAL A 48 6.685 -8.998 5.143 1.00 2.44 H new ATOM 0 HG11 VAL A 48 6.643 -6.598 5.705 1.00 50.05 H new ATOM 0 HG12 VAL A 48 7.400 -6.895 4.122 1.00 50.05 H new ATOM 0 HG13 VAL A 48 5.736 -6.269 4.210 1.00 50.05 H new ATOM 0 HG21 VAL A 48 4.878 -8.090 6.546 1.00 5.21 H new ATOM 0 HG22 VAL A 48 3.887 -7.828 5.091 1.00 5.21 H new ATOM 0 HG23 VAL A 48 4.333 -9.480 5.579 1.00 5.21 H new ATOM 795 N GLU A 49 7.441 -10.340 2.556 1.00 74.12 N ATOM 796 CA GLU A 49 8.675 -10.726 1.880 1.00 2.13 C ATOM 797 C GLU A 49 8.433 -10.929 0.387 1.00 43.21 C ATOM 798 O GLU A 49 9.374 -10.953 -0.409 1.00 50.45 O ATOM 799 CB GLU A 49 9.224 -12.024 2.483 1.00 2.42 C ATOM 800 CG GLU A 49 9.748 -11.879 3.903 1.00 35.32 C ATOM 801 CD GLU A 49 11.050 -11.108 3.962 1.00 73.20 C ATOM 802 OE1 GLU A 49 12.111 -11.705 3.674 1.00 71.33 O ATOM 803 OE2 GLU A 49 11.024 -9.908 4.299 1.00 35.45 O ATOM 0 H GLU A 49 6.960 -11.108 3.024 1.00 74.12 H new ATOM 0 HA GLU A 49 9.400 -9.924 2.016 1.00 2.13 H new ATOM 0 HB2 GLU A 49 8.436 -12.777 2.474 1.00 2.42 H new ATOM 0 HB3 GLU A 49 10.028 -12.395 1.847 1.00 2.42 H new ATOM 0 HG2 GLU A 49 9.001 -11.372 4.513 1.00 35.32 H new ATOM 0 HG3 GLU A 49 9.895 -12.868 4.336 1.00 35.32 H new ATOM 810 N ASP A 50 7.165 -11.061 0.013 1.00 51.31 N ATOM 811 CA ASP A 50 6.806 -11.447 -1.349 1.00 74.23 C ATOM 812 C ASP A 50 6.214 -10.274 -2.130 1.00 32.50 C ATOM 813 O ASP A 50 6.023 -10.356 -3.345 1.00 61.35 O ATOM 814 CB ASP A 50 5.830 -12.628 -1.314 1.00 52.23 C ATOM 815 CG ASP A 50 5.640 -13.283 -2.668 1.00 12.31 C ATOM 816 OD1 ASP A 50 6.642 -13.488 -3.387 1.00 53.23 O ATOM 817 OD2 ASP A 50 4.488 -13.630 -3.003 1.00 73.45 O ATOM 0 H ASP A 50 6.369 -10.907 0.632 1.00 51.31 H new ATOM 0 HA ASP A 50 7.715 -11.752 -1.868 1.00 74.23 H new ATOM 0 HB2 ASP A 50 6.194 -13.372 -0.605 1.00 52.23 H new ATOM 0 HB3 ASP A 50 4.864 -12.283 -0.945 1.00 52.23 H new ATOM 822 N VAL A 51 5.925 -9.177 -1.437 1.00 60.31 N ATOM 823 CA VAL A 51 5.491 -7.956 -2.104 1.00 61.45 C ATOM 824 C VAL A 51 6.714 -7.188 -2.616 1.00 30.24 C ATOM 825 O VAL A 51 7.268 -6.316 -1.951 1.00 22.34 O ATOM 826 CB VAL A 51 4.590 -7.077 -1.194 1.00 24.43 C ATOM 827 CG1 VAL A 51 5.259 -6.774 0.139 1.00 50.22 C ATOM 828 CG2 VAL A 51 4.189 -5.790 -1.906 1.00 41.40 C ATOM 0 H VAL A 51 5.983 -9.109 -0.421 1.00 60.31 H new ATOM 0 HA VAL A 51 4.871 -8.232 -2.957 1.00 61.45 H new ATOM 0 HB VAL A 51 3.686 -7.648 -0.982 1.00 24.43 H new ATOM 0 HG11 VAL A 51 4.597 -6.157 0.747 1.00 50.22 H new ATOM 0 HG12 VAL A 51 5.467 -7.707 0.662 1.00 50.22 H new ATOM 0 HG13 VAL A 51 6.193 -6.240 -0.036 1.00 50.22 H new ATOM 0 HG21 VAL A 51 3.558 -5.192 -1.248 1.00 41.40 H new ATOM 0 HG22 VAL A 51 5.084 -5.224 -2.165 1.00 41.40 H new ATOM 0 HG23 VAL A 51 3.638 -6.033 -2.814 1.00 41.40 H new ATOM 838 N LYS A 52 7.151 -7.573 -3.803 1.00 14.12 N ATOM 839 CA LYS A 52 8.398 -7.087 -4.375 1.00 50.23 C ATOM 840 C LYS A 52 8.152 -5.876 -5.282 1.00 25.42 C ATOM 841 O LYS A 52 7.021 -5.661 -5.727 1.00 24.24 O ATOM 842 CB LYS A 52 9.062 -8.242 -5.134 1.00 35.24 C ATOM 843 CG LYS A 52 8.904 -9.563 -4.394 1.00 1.02 C ATOM 844 CD LYS A 52 9.760 -10.678 -4.959 1.00 2.04 C ATOM 845 CE LYS A 52 9.537 -11.960 -4.169 1.00 44.41 C ATOM 846 NZ LYS A 52 10.367 -13.091 -4.659 1.00 2.54 N ATOM 0 H LYS A 52 6.651 -8.233 -4.399 1.00 14.12 H new ATOM 0 HA LYS A 52 9.065 -6.748 -3.583 1.00 50.23 H new ATOM 0 HB2 LYS A 52 8.622 -8.326 -6.128 1.00 35.24 H new ATOM 0 HB3 LYS A 52 10.121 -8.026 -5.272 1.00 35.24 H new ATOM 0 HG2 LYS A 52 9.160 -9.415 -3.345 1.00 1.02 H new ATOM 0 HG3 LYS A 52 7.858 -9.866 -4.428 1.00 1.02 H new ATOM 0 HD2 LYS A 52 9.513 -10.841 -6.008 1.00 2.04 H new ATOM 0 HD3 LYS A 52 10.812 -10.395 -4.919 1.00 2.04 H new ATOM 0 HE2 LYS A 52 9.763 -11.778 -3.118 1.00 44.41 H new ATOM 0 HE3 LYS A 52 8.484 -12.237 -4.225 1.00 44.41 H new ATOM 0 HZ1 LYS A 52 10.175 -13.937 -4.085 1.00 2.54 H new ATOM 0 HZ2 LYS A 52 10.134 -13.287 -5.654 1.00 2.54 H new ATOM 0 HZ3 LYS A 52 11.374 -12.842 -4.581 1.00 2.54 H new ATOM 860 N PRO A 53 9.212 -5.078 -5.553 1.00 12.54 N ATOM 861 CA PRO A 53 9.133 -3.801 -6.287 1.00 15.13 C ATOM 862 C PRO A 53 8.150 -3.776 -7.460 1.00 40.34 C ATOM 863 O PRO A 53 7.331 -2.861 -7.560 1.00 13.12 O ATOM 864 CB PRO A 53 10.560 -3.622 -6.793 1.00 35.23 C ATOM 865 CG PRO A 53 11.407 -4.227 -5.731 1.00 62.33 C ATOM 866 CD PRO A 53 10.606 -5.362 -5.145 1.00 72.02 C ATOM 0 HA PRO A 53 8.758 -3.010 -5.638 1.00 15.13 H new ATOM 0 HB2 PRO A 53 10.707 -4.120 -7.751 1.00 35.23 H new ATOM 0 HB3 PRO A 53 10.800 -2.569 -6.941 1.00 35.23 H new ATOM 0 HG2 PRO A 53 12.349 -4.589 -6.144 1.00 62.33 H new ATOM 0 HG3 PRO A 53 11.656 -3.491 -4.966 1.00 62.33 H new ATOM 0 HD2 PRO A 53 10.943 -6.325 -5.527 1.00 72.02 H new ATOM 0 HD3 PRO A 53 10.703 -5.398 -4.060 1.00 72.02 H new ATOM 874 N ARG A 54 8.216 -4.771 -8.343 1.00 64.24 N ATOM 875 CA ARG A 54 7.402 -4.757 -9.562 1.00 70.55 C ATOM 876 C ARG A 54 5.903 -4.769 -9.245 1.00 63.25 C ATOM 877 O ARG A 54 5.095 -4.293 -10.041 1.00 42.04 O ATOM 878 CB ARG A 54 7.755 -5.928 -10.484 1.00 64.14 C ATOM 879 CG ARG A 54 7.351 -7.287 -9.950 1.00 35.20 C ATOM 880 CD ARG A 54 7.539 -8.372 -10.993 1.00 53.33 C ATOM 881 NE ARG A 54 8.948 -8.609 -11.305 1.00 62.34 N ATOM 882 CZ ARG A 54 9.424 -8.751 -12.538 1.00 23.32 C ATOM 883 NH1 ARG A 54 8.641 -8.524 -13.588 1.00 5.24 N ATOM 884 NH2 ARG A 54 10.700 -9.067 -12.717 1.00 1.23 N ATOM 0 H ARG A 54 8.817 -5.589 -8.242 1.00 64.24 H new ATOM 0 HA ARG A 54 7.631 -3.827 -10.081 1.00 70.55 H new ATOM 0 HB2 ARG A 54 7.274 -5.773 -11.450 1.00 64.14 H new ATOM 0 HB3 ARG A 54 8.831 -5.925 -10.660 1.00 64.14 H new ATOM 0 HG2 ARG A 54 7.944 -7.523 -9.067 1.00 35.20 H new ATOM 0 HG3 ARG A 54 6.308 -7.260 -9.635 1.00 35.20 H new ATOM 0 HD2 ARG A 54 7.088 -9.298 -10.635 1.00 53.33 H new ATOM 0 HD3 ARG A 54 7.010 -8.092 -11.904 1.00 53.33 H new ATOM 0 HE ARG A 54 9.606 -8.669 -10.528 1.00 62.34 H new ATOM 0 HH11 ARG A 54 7.671 -8.240 -13.449 1.00 5.24 H new ATOM 0 HH12 ARG A 54 9.010 -8.634 -14.533 1.00 5.24 H new ATOM 0 HH21 ARG A 54 11.310 -9.200 -11.911 1.00 1.23 H new ATOM 0 HH22 ARG A 54 11.071 -9.177 -13.661 1.00 1.23 H new ATOM 898 N HIS A 55 5.533 -5.288 -8.076 1.00 4.21 N ATOM 899 CA HIS A 55 4.128 -5.308 -7.675 1.00 1.53 C ATOM 900 C HIS A 55 3.671 -3.886 -7.387 1.00 42.40 C ATOM 901 O HIS A 55 2.539 -3.510 -7.681 1.00 52.43 O ATOM 902 CB HIS A 55 3.889 -6.163 -6.424 1.00 53.42 C ATOM 903 CG HIS A 55 4.482 -7.543 -6.452 1.00 53.12 C ATOM 904 ND1 HIS A 55 4.977 -8.155 -7.586 1.00 22.25 N ATOM 905 CD2 HIS A 55 4.696 -8.412 -5.441 1.00 4.35 C ATOM 906 CE1 HIS A 55 5.483 -9.334 -7.260 1.00 53.52 C ATOM 907 NE2 HIS A 55 5.320 -9.511 -5.967 1.00 23.23 N ATOM 0 H HIS A 55 6.177 -5.695 -7.398 1.00 4.21 H new ATOM 0 HA HIS A 55 3.560 -5.747 -8.495 1.00 1.53 H new ATOM 0 HB2 HIS A 55 4.292 -5.632 -5.562 1.00 53.42 H new ATOM 0 HB3 HIS A 55 2.814 -6.253 -6.269 1.00 53.42 H new ATOM 0 HD2 HIS A 55 4.424 -8.267 -4.406 1.00 4.35 H new ATOM 0 HE1 HIS A 55 5.950 -10.031 -7.940 1.00 53.52 H new ATOM 0 HE2 HIS A 55 5.612 -10.335 -5.441 1.00 23.23 H new ATOM 916 N ILE A 56 4.578 -3.103 -6.810 1.00 14.34 N ATOM 917 CA ILE A 56 4.304 -1.716 -6.466 1.00 53.12 C ATOM 918 C ILE A 56 4.127 -0.888 -7.732 1.00 1.33 C ATOM 919 O ILE A 56 3.275 -0.004 -7.800 1.00 63.12 O ATOM 920 CB ILE A 56 5.446 -1.116 -5.612 1.00 30.23 C ATOM 921 CG1 ILE A 56 5.695 -1.981 -4.370 1.00 52.44 C ATOM 922 CG2 ILE A 56 5.131 0.319 -5.210 1.00 71.33 C ATOM 923 CD1 ILE A 56 4.486 -2.130 -3.469 1.00 30.44 C ATOM 0 H ILE A 56 5.520 -3.413 -6.569 1.00 14.34 H new ATOM 0 HA ILE A 56 3.385 -1.691 -5.881 1.00 53.12 H new ATOM 0 HB ILE A 56 6.353 -1.105 -6.216 1.00 30.23 H new ATOM 0 HG12 ILE A 56 6.021 -2.971 -4.689 1.00 52.44 H new ATOM 0 HG13 ILE A 56 6.512 -1.546 -3.795 1.00 52.44 H new ATOM 0 HG21 ILE A 56 5.950 0.717 -4.611 1.00 71.33 H new ATOM 0 HG22 ILE A 56 5.007 0.929 -6.105 1.00 71.33 H new ATOM 0 HG23 ILE A 56 4.211 0.340 -4.626 1.00 71.33 H new ATOM 0 HD11 ILE A 56 4.744 -2.755 -2.614 1.00 30.44 H new ATOM 0 HD12 ILE A 56 4.171 -1.147 -3.118 1.00 30.44 H new ATOM 0 HD13 ILE A 56 3.672 -2.595 -4.026 1.00 30.44 H new ATOM 935 N ASP A 57 4.929 -1.193 -8.740 1.00 41.02 N ATOM 936 CA ASP A 57 4.807 -0.532 -10.030 1.00 54.22 C ATOM 937 C ASP A 57 3.457 -0.851 -10.646 1.00 43.20 C ATOM 938 O ASP A 57 2.766 0.034 -11.143 1.00 30.24 O ATOM 939 CB ASP A 57 5.934 -0.975 -10.969 1.00 32.41 C ATOM 940 CG ASP A 57 5.745 -0.475 -12.387 1.00 42.34 C ATOM 941 OD1 ASP A 57 6.085 0.695 -12.664 1.00 3.25 O ATOM 942 OD2 ASP A 57 5.254 -1.250 -13.236 1.00 10.31 O ATOM 0 H ASP A 57 5.670 -1.892 -8.690 1.00 41.02 H new ATOM 0 HA ASP A 57 4.886 0.545 -9.881 1.00 54.22 H new ATOM 0 HB2 ASP A 57 6.886 -0.611 -10.584 1.00 32.41 H new ATOM 0 HB3 ASP A 57 5.988 -2.064 -10.976 1.00 32.41 H new ATOM 947 N ASP A 58 3.073 -2.118 -10.575 1.00 61.44 N ATOM 948 CA ASP A 58 1.800 -2.562 -11.123 1.00 21.21 C ATOM 949 C ASP A 58 0.625 -1.871 -10.451 1.00 51.44 C ATOM 950 O ASP A 58 -0.259 -1.352 -11.131 1.00 34.23 O ATOM 951 CB ASP A 58 1.636 -4.078 -11.003 1.00 45.12 C ATOM 952 CG ASP A 58 2.382 -4.836 -12.081 1.00 24.13 C ATOM 953 OD1 ASP A 58 2.546 -4.291 -13.198 1.00 30.24 O ATOM 954 OD2 ASP A 58 2.798 -5.986 -11.823 1.00 74.03 O ATOM 0 H ASP A 58 3.626 -2.857 -10.142 1.00 61.44 H new ATOM 0 HA ASP A 58 1.807 -2.290 -12.178 1.00 21.21 H new ATOM 0 HB2 ASP A 58 1.993 -4.401 -10.025 1.00 45.12 H new ATOM 0 HB3 ASP A 58 0.577 -4.330 -11.055 1.00 45.12 H new ATOM 959 N VAL A 59 0.611 -1.855 -9.121 1.00 41.14 N ATOM 960 CA VAL A 59 -0.510 -1.266 -8.393 1.00 31.33 C ATOM 961 C VAL A 59 -0.605 0.237 -8.648 1.00 30.52 C ATOM 962 O VAL A 59 -1.692 0.755 -8.890 1.00 23.40 O ATOM 963 CB VAL A 59 -0.456 -1.553 -6.871 1.00 65.13 C ATOM 964 CG1 VAL A 59 -0.596 -3.044 -6.608 1.00 21.32 C ATOM 965 CG2 VAL A 59 0.819 -1.019 -6.237 1.00 62.54 C ATOM 0 H VAL A 59 1.351 -2.237 -8.532 1.00 41.14 H new ATOM 0 HA VAL A 59 -1.409 -1.747 -8.778 1.00 31.33 H new ATOM 0 HB VAL A 59 -1.294 -1.030 -6.409 1.00 65.13 H new ATOM 0 HG11 VAL A 59 -0.556 -3.229 -5.535 1.00 21.32 H new ATOM 0 HG12 VAL A 59 -1.550 -3.395 -7.002 1.00 21.32 H new ATOM 0 HG13 VAL A 59 0.218 -3.578 -7.099 1.00 21.32 H new ATOM 0 HG21 VAL A 59 0.816 -1.242 -5.170 1.00 62.54 H new ATOM 0 HG22 VAL A 59 1.683 -1.492 -6.704 1.00 62.54 H new ATOM 0 HG23 VAL A 59 0.873 0.060 -6.382 1.00 62.54 H new ATOM 975 N LEU A 60 0.536 0.927 -8.647 1.00 62.31 N ATOM 976 CA LEU A 60 0.561 2.369 -8.896 1.00 21.34 C ATOM 977 C LEU A 60 0.158 2.674 -10.335 1.00 52.04 C ATOM 978 O LEU A 60 -0.538 3.654 -10.606 1.00 31.32 O ATOM 979 CB LEU A 60 1.954 2.940 -8.605 1.00 4.41 C ATOM 980 CG LEU A 60 2.394 2.880 -7.139 1.00 33.15 C ATOM 981 CD1 LEU A 60 3.773 3.501 -6.972 1.00 14.45 C ATOM 982 CD2 LEU A 60 1.379 3.578 -6.241 1.00 10.33 C ATOM 0 H LEU A 60 1.452 0.512 -8.477 1.00 62.31 H new ATOM 0 HA LEU A 60 -0.158 2.842 -8.227 1.00 21.34 H new ATOM 0 HB2 LEU A 60 2.683 2.399 -9.208 1.00 4.41 H new ATOM 0 HB3 LEU A 60 1.978 3.980 -8.932 1.00 4.41 H new ATOM 0 HG LEU A 60 2.448 1.833 -6.840 1.00 33.15 H new ATOM 0 HD11 LEU A 60 4.070 3.450 -5.925 1.00 14.45 H new ATOM 0 HD12 LEU A 60 4.494 2.955 -7.581 1.00 14.45 H new ATOM 0 HD13 LEU A 60 3.744 4.543 -7.291 1.00 14.45 H new ATOM 0 HD21 LEU A 60 1.712 3.523 -5.205 1.00 10.33 H new ATOM 0 HD22 LEU A 60 1.288 4.623 -6.538 1.00 10.33 H new ATOM 0 HD23 LEU A 60 0.410 3.088 -6.337 1.00 10.33 H new ATOM 994 N LYS A 61 0.587 1.825 -11.250 1.00 43.45 N ATOM 995 CA LYS A 61 0.233 1.958 -12.653 1.00 62.11 C ATOM 996 C LYS A 61 -1.259 1.689 -12.863 1.00 15.21 C ATOM 997 O LYS A 61 -1.890 2.277 -13.738 1.00 72.14 O ATOM 998 CB LYS A 61 1.120 1.011 -13.478 1.00 2.02 C ATOM 999 CG LYS A 61 0.637 0.711 -14.890 1.00 2.34 C ATOM 1000 CD LYS A 61 -0.192 -0.567 -14.936 1.00 13.04 C ATOM 1001 CE LYS A 61 0.535 -1.740 -14.285 1.00 14.22 C ATOM 1002 NZ LYS A 61 1.809 -2.088 -14.972 1.00 52.42 N ATOM 0 H LYS A 61 1.188 1.027 -11.044 1.00 43.45 H new ATOM 0 HA LYS A 61 0.411 2.979 -12.990 1.00 62.11 H new ATOM 0 HB2 LYS A 61 2.119 1.442 -13.540 1.00 2.02 H new ATOM 0 HB3 LYS A 61 1.213 0.069 -12.938 1.00 2.02 H new ATOM 0 HG2 LYS A 61 0.041 1.546 -15.257 1.00 2.34 H new ATOM 0 HG3 LYS A 61 1.494 0.614 -15.556 1.00 2.34 H new ATOM 0 HD2 LYS A 61 -1.142 -0.402 -14.428 1.00 13.04 H new ATOM 0 HD3 LYS A 61 -0.423 -0.813 -15.972 1.00 13.04 H new ATOM 0 HE2 LYS A 61 0.745 -1.497 -13.243 1.00 14.22 H new ATOM 0 HE3 LYS A 61 -0.120 -2.611 -14.284 1.00 14.22 H new ATOM 0 HZ1 LYS A 61 2.241 -2.912 -14.507 1.00 52.42 H new ATOM 0 HZ2 LYS A 61 1.615 -2.315 -15.968 1.00 52.42 H new ATOM 0 HZ3 LYS A 61 2.462 -1.280 -14.922 1.00 52.42 H new ATOM 1016 N ALA A 62 -1.821 0.813 -12.047 1.00 74.24 N ATOM 1017 CA ALA A 62 -3.237 0.494 -12.137 1.00 5.20 C ATOM 1018 C ALA A 62 -4.092 1.585 -11.490 1.00 23.15 C ATOM 1019 O ALA A 62 -5.144 1.947 -12.015 1.00 42.22 O ATOM 1020 CB ALA A 62 -3.518 -0.856 -11.493 1.00 31.14 C ATOM 0 H ALA A 62 -1.319 0.310 -11.315 1.00 74.24 H new ATOM 0 HA ALA A 62 -3.504 0.441 -13.192 1.00 5.20 H new ATOM 0 HB1 ALA A 62 -4.582 -1.081 -11.568 1.00 31.14 H new ATOM 0 HB2 ALA A 62 -2.947 -1.630 -12.006 1.00 31.14 H new ATOM 0 HB3 ALA A 62 -3.227 -0.826 -10.443 1.00 31.14 H new ATOM 1026 N VAL A 63 -3.639 2.118 -10.358 1.00 40.21 N ATOM 1027 CA VAL A 63 -4.406 3.139 -9.647 1.00 35.12 C ATOM 1028 C VAL A 63 -4.381 4.476 -10.385 1.00 33.25 C ATOM 1029 O VAL A 63 -5.316 5.271 -10.271 1.00 2.12 O ATOM 1030 CB VAL A 63 -3.927 3.339 -8.188 1.00 41.33 C ATOM 1031 CG1 VAL A 63 -4.151 2.072 -7.378 1.00 64.44 C ATOM 1032 CG2 VAL A 63 -2.471 3.773 -8.133 1.00 45.53 C ATOM 0 H VAL A 63 -2.755 1.864 -9.917 1.00 40.21 H new ATOM 0 HA VAL A 63 -5.431 2.770 -9.614 1.00 35.12 H new ATOM 0 HB VAL A 63 -4.520 4.140 -7.746 1.00 41.33 H new ATOM 0 HG11 VAL A 63 -3.809 2.229 -6.355 1.00 64.44 H new ATOM 0 HG12 VAL A 63 -5.213 1.827 -7.372 1.00 64.44 H new ATOM 0 HG13 VAL A 63 -3.592 1.250 -7.825 1.00 64.44 H new ATOM 0 HG21 VAL A 63 -2.169 3.904 -7.094 1.00 45.53 H new ATOM 0 HG22 VAL A 63 -1.846 3.011 -8.599 1.00 45.53 H new ATOM 0 HG23 VAL A 63 -2.352 4.716 -8.667 1.00 45.53 H new ATOM 1042 N MET A 64 -3.331 4.716 -11.165 1.00 51.33 N ATOM 1043 CA MET A 64 -3.212 5.972 -11.898 1.00 72.02 C ATOM 1044 C MET A 64 -4.123 5.980 -13.123 1.00 10.53 C ATOM 1045 O MET A 64 -4.550 7.040 -13.581 1.00 14.22 O ATOM 1046 CB MET A 64 -1.747 6.249 -12.294 1.00 53.02 C ATOM 1047 CG MET A 64 -1.144 5.265 -13.290 1.00 12.24 C ATOM 1048 SD MET A 64 -1.629 5.579 -15.002 1.00 53.03 S ATOM 1049 CE MET A 64 -1.006 7.240 -15.239 1.00 54.11 C ATOM 0 H MET A 64 -2.558 4.065 -11.305 1.00 51.33 H new ATOM 0 HA MET A 64 -3.535 6.776 -11.236 1.00 72.02 H new ATOM 0 HB2 MET A 64 -1.686 7.252 -12.717 1.00 53.02 H new ATOM 0 HB3 MET A 64 -1.137 6.246 -11.391 1.00 53.02 H new ATOM 0 HG2 MET A 64 -0.057 5.306 -13.216 1.00 12.24 H new ATOM 0 HG3 MET A 64 -1.444 4.254 -13.016 1.00 12.24 H new ATOM 0 HE1 MET A 64 -0.541 7.317 -16.222 1.00 54.11 H new ATOM 0 HE2 MET A 64 -1.830 7.951 -15.171 1.00 54.11 H new ATOM 0 HE3 MET A 64 -0.268 7.465 -14.469 1.00 54.11 H new ATOM 1059 N LYS A 65 -4.439 4.796 -13.639 1.00 23.44 N ATOM 1060 CA LYS A 65 -5.270 4.692 -14.830 1.00 62.32 C ATOM 1061 C LYS A 65 -6.744 4.619 -14.464 1.00 43.11 C ATOM 1062 O LYS A 65 -7.590 5.184 -15.153 1.00 21.41 O ATOM 1063 CB LYS A 65 -4.871 3.479 -15.676 1.00 75.34 C ATOM 1064 CG LYS A 65 -5.083 2.134 -15.004 1.00 11.04 C ATOM 1065 CD LYS A 65 -4.812 0.987 -15.962 1.00 1.34 C ATOM 1066 CE LYS A 65 -3.403 1.045 -16.534 1.00 21.15 C ATOM 1067 NZ LYS A 65 -3.145 -0.069 -17.486 1.00 62.34 N ATOM 0 H LYS A 65 -4.134 3.902 -13.253 1.00 23.44 H new ATOM 0 HA LYS A 65 -5.108 5.592 -15.423 1.00 62.32 H new ATOM 0 HB2 LYS A 65 -5.441 3.499 -16.605 1.00 75.34 H new ATOM 0 HB3 LYS A 65 -3.819 3.572 -15.946 1.00 75.34 H new ATOM 0 HG2 LYS A 65 -4.426 2.050 -14.139 1.00 11.04 H new ATOM 0 HG3 LYS A 65 -6.106 2.067 -14.635 1.00 11.04 H new ATOM 0 HD2 LYS A 65 -4.954 0.039 -15.443 1.00 1.34 H new ATOM 0 HD3 LYS A 65 -5.536 1.016 -16.777 1.00 1.34 H new ATOM 0 HE2 LYS A 65 -3.256 1.998 -17.042 1.00 21.15 H new ATOM 0 HE3 LYS A 65 -2.679 1.003 -15.720 1.00 21.15 H new ATOM 0 HZ1 LYS A 65 -2.175 0.006 -17.853 1.00 62.34 H new ATOM 0 HZ2 LYS A 65 -3.260 -0.979 -16.995 1.00 62.34 H new ATOM 0 HZ3 LYS A 65 -3.819 -0.014 -18.276 1.00 62.34 H new ATOM 1081 N ARG A 66 -7.048 3.916 -13.382 1.00 41.31 N ATOM 1082 CA ARG A 66 -8.431 3.781 -12.930 1.00 10.14 C ATOM 1083 C ARG A 66 -8.884 5.017 -12.157 1.00 5.33 C ATOM 1084 O ARG A 66 -10.083 5.269 -12.025 1.00 4.52 O ATOM 1085 CB ARG A 66 -8.610 2.542 -12.048 1.00 11.20 C ATOM 1086 CG ARG A 66 -7.823 2.593 -10.749 1.00 40.01 C ATOM 1087 CD ARG A 66 -8.514 1.814 -9.644 1.00 42.34 C ATOM 1088 NE ARG A 66 -8.713 0.405 -9.973 1.00 73.13 N ATOM 1089 CZ ARG A 66 -9.900 -0.205 -9.922 1.00 42.35 C ATOM 1090 NH1 ARG A 66 -10.992 0.480 -9.596 1.00 73.52 N ATOM 1091 NH2 ARG A 66 -9.995 -1.498 -10.184 1.00 2.30 N ATOM 0 H ARG A 66 -6.362 3.432 -12.802 1.00 41.31 H new ATOM 0 HA ARG A 66 -9.047 3.674 -13.823 1.00 10.14 H new ATOM 0 HB2 ARG A 66 -9.668 2.423 -11.816 1.00 11.20 H new ATOM 0 HB3 ARG A 66 -8.306 1.660 -12.611 1.00 11.20 H new ATOM 0 HG2 ARG A 66 -6.825 2.186 -10.912 1.00 40.01 H new ATOM 0 HG3 ARG A 66 -7.698 3.631 -10.440 1.00 40.01 H new ATOM 0 HD2 ARG A 66 -7.922 1.888 -8.731 1.00 42.34 H new ATOM 0 HD3 ARG A 66 -9.481 2.272 -9.435 1.00 42.34 H new ATOM 0 HE ARG A 66 -7.901 -0.143 -10.257 1.00 73.13 H new ATOM 0 HH11 ARG A 66 -10.925 1.475 -9.384 1.00 73.52 H new ATOM 0 HH12 ARG A 66 -11.897 0.010 -9.558 1.00 73.52 H new ATOM 0 HH21 ARG A 66 -9.160 -2.032 -10.426 1.00 2.30 H new ATOM 0 HH22 ARG A 66 -10.903 -1.961 -10.144 1.00 2.30 H new ATOM 1105 N GLY A 67 -7.927 5.773 -11.639 1.00 31.32 N ATOM 1106 CA GLY A 67 -8.259 6.935 -10.843 1.00 44.43 C ATOM 1107 C GLY A 67 -7.511 8.175 -11.281 1.00 41.23 C ATOM 1108 O GLY A 67 -8.005 8.948 -12.103 1.00 50.30 O ATOM 0 H GLY A 67 -6.928 5.602 -11.756 1.00 31.32 H new ATOM 0 HA2 GLY A 67 -9.331 7.120 -10.908 1.00 44.43 H new ATOM 0 HA3 GLY A 67 -8.033 6.730 -9.796 1.00 44.43 H new ATOM 1112 N ALA A 68 -6.319 8.361 -10.730 1.00 33.14 N ATOM 1113 CA ALA A 68 -5.508 9.536 -11.020 1.00 65.24 C ATOM 1114 C ALA A 68 -4.081 9.328 -10.546 1.00 31.34 C ATOM 1115 O ALA A 68 -3.843 8.658 -9.539 1.00 53.32 O ATOM 1116 CB ALA A 68 -6.108 10.776 -10.366 1.00 34.15 C ATOM 0 H ALA A 68 -5.890 7.708 -10.075 1.00 33.14 H new ATOM 0 HA ALA A 68 -5.496 9.686 -12.100 1.00 65.24 H new ATOM 0 HB1 ALA A 68 -5.488 11.643 -10.594 1.00 34.15 H new ATOM 0 HB2 ALA A 68 -7.115 10.939 -10.750 1.00 34.15 H new ATOM 0 HB3 ALA A 68 -6.150 10.634 -9.286 1.00 34.15 H new ATOM 1122 N PRO A 69 -3.114 9.902 -11.269 1.00 22.55 N ATOM 1123 CA PRO A 69 -1.694 9.757 -10.950 1.00 45.45 C ATOM 1124 C PRO A 69 -1.338 10.406 -9.613 1.00 50.24 C ATOM 1125 O PRO A 69 -0.412 9.972 -8.927 1.00 41.14 O ATOM 1126 CB PRO A 69 -0.981 10.464 -12.109 1.00 31.33 C ATOM 1127 CG PRO A 69 -2.011 10.643 -13.173 1.00 23.52 C ATOM 1128 CD PRO A 69 -3.328 10.732 -12.467 1.00 23.13 C ATOM 0 HA PRO A 69 -1.404 8.711 -10.845 1.00 45.45 H new ATOM 0 HB2 PRO A 69 -0.577 11.425 -11.791 1.00 31.33 H new ATOM 0 HB3 PRO A 69 -0.143 9.870 -12.473 1.00 31.33 H new ATOM 0 HG2 PRO A 69 -1.819 11.545 -13.754 1.00 23.52 H new ATOM 0 HG3 PRO A 69 -1.999 9.806 -13.871 1.00 23.52 H new ATOM 0 HD2 PRO A 69 -3.579 11.760 -12.207 1.00 23.13 H new ATOM 0 HD3 PRO A 69 -4.143 10.351 -13.082 1.00 23.13 H new ATOM 1136 N SER A 70 -2.099 11.430 -9.245 1.00 3.02 N ATOM 1137 CA SER A 70 -1.901 12.131 -7.984 1.00 31.23 C ATOM 1138 C SER A 70 -2.194 11.211 -6.800 1.00 1.22 C ATOM 1139 O SER A 70 -1.635 11.374 -5.715 1.00 34.43 O ATOM 1140 CB SER A 70 -2.805 13.362 -7.934 1.00 60.20 C ATOM 1141 OG SER A 70 -2.647 14.153 -9.104 1.00 22.33 O ATOM 0 H SER A 70 -2.866 11.795 -9.809 1.00 3.02 H new ATOM 0 HA SER A 70 -0.860 12.446 -7.918 1.00 31.23 H new ATOM 0 HB2 SER A 70 -3.845 13.051 -7.838 1.00 60.20 H new ATOM 0 HB3 SER A 70 -2.568 13.957 -7.052 1.00 60.20 H new ATOM 0 HG SER A 70 -3.236 14.935 -9.052 1.00 22.33 H new ATOM 1147 N ILE A 71 -3.070 10.231 -7.019 1.00 33.13 N ATOM 1148 CA ILE A 71 -3.411 9.268 -5.979 1.00 5.35 C ATOM 1149 C ILE A 71 -2.232 8.340 -5.728 1.00 63.24 C ATOM 1150 O ILE A 71 -1.883 8.055 -4.583 1.00 61.44 O ATOM 1151 CB ILE A 71 -4.659 8.437 -6.353 1.00 32.31 C ATOM 1152 CG1 ILE A 71 -5.844 9.365 -6.634 1.00 53.41 C ATOM 1153 CG2 ILE A 71 -5.003 7.454 -5.238 1.00 64.04 C ATOM 1154 CD1 ILE A 71 -7.089 8.642 -7.100 1.00 25.35 C ATOM 0 H ILE A 71 -3.554 10.085 -7.905 1.00 33.13 H new ATOM 0 HA ILE A 71 -3.642 9.827 -5.072 1.00 5.35 H new ATOM 0 HB ILE A 71 -4.440 7.866 -7.255 1.00 32.31 H new ATOM 0 HG12 ILE A 71 -6.078 9.925 -5.728 1.00 53.41 H new ATOM 0 HG13 ILE A 71 -5.552 10.092 -7.392 1.00 53.41 H new ATOM 0 HG21 ILE A 71 -5.884 6.878 -5.520 1.00 64.04 H new ATOM 0 HG22 ILE A 71 -4.164 6.777 -5.078 1.00 64.04 H new ATOM 0 HG23 ILE A 71 -5.207 8.003 -4.319 1.00 64.04 H new ATOM 0 HD11 ILE A 71 -7.885 9.365 -7.279 1.00 25.35 H new ATOM 0 HD12 ILE A 71 -6.873 8.104 -8.023 1.00 25.35 H new ATOM 0 HD13 ILE A 71 -7.407 7.935 -6.334 1.00 25.35 H new ATOM 1166 N ALA A 72 -1.600 7.900 -6.812 1.00 53.32 N ATOM 1167 CA ALA A 72 -0.441 7.020 -6.728 1.00 41.31 C ATOM 1168 C ALA A 72 0.694 7.682 -5.953 1.00 11.44 C ATOM 1169 O ALA A 72 1.432 7.018 -5.227 1.00 60.34 O ATOM 1170 CB ALA A 72 0.026 6.630 -8.123 1.00 14.11 C ATOM 0 H ALA A 72 -1.874 8.141 -7.764 1.00 53.32 H new ATOM 0 HA ALA A 72 -0.736 6.119 -6.190 1.00 41.31 H new ATOM 0 HB1 ALA A 72 0.892 5.973 -8.046 1.00 14.11 H new ATOM 0 HB2 ALA A 72 -0.778 6.111 -8.644 1.00 14.11 H new ATOM 0 HB3 ALA A 72 0.299 7.527 -8.679 1.00 14.11 H new ATOM 1176 N ASN A 73 0.814 8.996 -6.103 1.00 2.22 N ATOM 1177 CA ASN A 73 1.830 9.769 -5.408 1.00 71.44 C ATOM 1178 C ASN A 73 1.627 9.693 -3.898 1.00 41.40 C ATOM 1179 O ASN A 73 2.561 9.411 -3.143 1.00 1.53 O ATOM 1180 CB ASN A 73 1.755 11.219 -5.883 1.00 12.25 C ATOM 1181 CG ASN A 73 2.663 12.152 -5.117 1.00 1.43 C ATOM 1182 OD1 ASN A 73 3.752 11.779 -4.676 1.00 22.14 O ATOM 1183 ND2 ASN A 73 2.209 13.377 -4.949 1.00 12.42 N ATOM 0 H ASN A 73 0.210 9.552 -6.709 1.00 2.22 H new ATOM 0 HA ASN A 73 2.814 9.358 -5.632 1.00 71.44 H new ATOM 0 HB2 ASN A 73 2.014 11.260 -6.941 1.00 12.25 H new ATOM 0 HB3 ASN A 73 0.727 11.570 -5.793 1.00 12.25 H new ATOM 0 HD21 ASN A 73 2.765 14.061 -4.436 1.00 12.42 H new ATOM 0 HD22 ASN A 73 1.301 13.641 -5.332 1.00 12.42 H new ATOM 1190 N ASP A 74 0.392 9.918 -3.467 1.00 53.42 N ATOM 1191 CA ASP A 74 0.056 9.881 -2.049 1.00 1.31 C ATOM 1192 C ASP A 74 0.129 8.455 -1.512 1.00 11.53 C ATOM 1193 O ASP A 74 0.666 8.220 -0.428 1.00 53.45 O ATOM 1194 CB ASP A 74 -1.340 10.462 -1.818 1.00 30.34 C ATOM 1195 CG ASP A 74 -1.759 10.394 -0.364 1.00 60.52 C ATOM 1196 OD1 ASP A 74 -1.387 11.299 0.413 1.00 3.40 O ATOM 1197 OD2 ASP A 74 -2.456 9.433 0.009 1.00 61.41 O ATOM 0 H ASP A 74 -0.395 10.128 -4.081 1.00 53.42 H new ATOM 0 HA ASP A 74 0.783 10.488 -1.510 1.00 1.31 H new ATOM 0 HB2 ASP A 74 -1.359 11.500 -2.151 1.00 30.34 H new ATOM 0 HB3 ASP A 74 -2.062 9.919 -2.427 1.00 30.34 H new ATOM 1202 N THR A 75 -0.395 7.507 -2.281 1.00 73.25 N ATOM 1203 CA THR A 75 -0.370 6.103 -1.892 1.00 11.22 C ATOM 1204 C THR A 75 1.067 5.598 -1.743 1.00 30.02 C ATOM 1205 O THR A 75 1.348 4.761 -0.889 1.00 65.02 O ATOM 1206 CB THR A 75 -1.144 5.229 -2.906 1.00 71.35 C ATOM 1207 OG1 THR A 75 -2.507 5.671 -2.987 1.00 14.10 O ATOM 1208 CG2 THR A 75 -1.118 3.757 -2.513 1.00 14.42 C ATOM 0 H THR A 75 -0.843 7.687 -3.179 1.00 73.25 H new ATOM 0 HA THR A 75 -0.864 6.023 -0.924 1.00 11.22 H new ATOM 0 HB THR A 75 -0.656 5.334 -3.875 1.00 71.35 H new ATOM 0 HG1 THR A 75 -3.033 5.018 -3.494 1.00 14.10 H new ATOM 0 HG21 THR A 75 -1.672 3.174 -3.249 1.00 14.42 H new ATOM 0 HG22 THR A 75 -0.086 3.408 -2.476 1.00 14.42 H new ATOM 0 HG23 THR A 75 -1.578 3.634 -1.532 1.00 14.42 H new ATOM 1216 N LEU A 76 1.980 6.129 -2.554 1.00 53.23 N ATOM 1217 CA LEU A 76 3.392 5.770 -2.455 1.00 74.40 C ATOM 1218 C LEU A 76 3.928 6.127 -1.066 1.00 53.14 C ATOM 1219 O LEU A 76 4.649 5.346 -0.442 1.00 73.13 O ATOM 1220 CB LEU A 76 4.193 6.479 -3.558 1.00 74.40 C ATOM 1221 CG LEU A 76 5.642 6.007 -3.753 1.00 32.41 C ATOM 1222 CD1 LEU A 76 6.105 6.308 -5.170 1.00 54.53 C ATOM 1223 CD2 LEU A 76 6.580 6.676 -2.758 1.00 50.53 C ATOM 0 H LEU A 76 1.767 6.808 -3.285 1.00 53.23 H new ATOM 0 HA LEU A 76 3.501 4.694 -2.594 1.00 74.40 H new ATOM 0 HB2 LEU A 76 3.662 6.354 -4.502 1.00 74.40 H new ATOM 0 HB3 LEU A 76 4.207 7.547 -3.339 1.00 74.40 H new ATOM 0 HG LEU A 76 5.668 4.931 -3.581 1.00 32.41 H new ATOM 0 HD11 LEU A 76 7.133 5.969 -5.297 1.00 54.53 H new ATOM 0 HD12 LEU A 76 5.462 5.789 -5.881 1.00 54.53 H new ATOM 0 HD13 LEU A 76 6.052 7.382 -5.350 1.00 54.53 H new ATOM 0 HD21 LEU A 76 7.597 6.321 -2.922 1.00 50.53 H new ATOM 0 HD22 LEU A 76 6.546 7.757 -2.896 1.00 50.53 H new ATOM 0 HD23 LEU A 76 6.269 6.430 -1.743 1.00 50.53 H new ATOM 1235 N ARG A 77 3.550 7.304 -0.579 1.00 24.24 N ATOM 1236 CA ARG A 77 3.940 7.738 0.760 1.00 15.32 C ATOM 1237 C ARG A 77 3.307 6.830 1.805 1.00 42.21 C ATOM 1238 O ARG A 77 3.953 6.427 2.773 1.00 64.50 O ATOM 1239 CB ARG A 77 3.496 9.180 1.008 1.00 4.35 C ATOM 1240 CG ARG A 77 4.039 10.180 0.003 1.00 63.14 C ATOM 1241 CD ARG A 77 3.494 11.570 0.278 1.00 30.05 C ATOM 1242 NE ARG A 77 3.915 12.543 -0.724 1.00 23.13 N ATOM 1243 CZ ARG A 77 3.215 13.627 -1.042 1.00 44.53 C ATOM 1244 NH1 ARG A 77 2.060 13.878 -0.432 1.00 62.01 N ATOM 1245 NH2 ARG A 77 3.672 14.455 -1.971 1.00 61.14 N ATOM 0 H ARG A 77 2.975 7.974 -1.089 1.00 24.24 H new ATOM 0 HA ARG A 77 5.026 7.683 0.836 1.00 15.32 H new ATOM 0 HB2 ARG A 77 2.407 9.221 0.992 1.00 4.35 H new ATOM 0 HB3 ARG A 77 3.812 9.479 2.008 1.00 4.35 H new ATOM 0 HG2 ARG A 77 5.128 10.195 0.050 1.00 63.14 H new ATOM 0 HG3 ARG A 77 3.768 9.871 -1.007 1.00 63.14 H new ATOM 0 HD2 ARG A 77 2.405 11.531 0.307 1.00 30.05 H new ATOM 0 HD3 ARG A 77 3.827 11.899 1.262 1.00 30.05 H new ATOM 0 HE ARG A 77 4.798 12.382 -1.209 1.00 23.13 H new ATOM 0 HH11 ARG A 77 1.710 13.238 0.281 1.00 62.01 H new ATOM 0 HH12 ARG A 77 1.524 14.710 -0.677 1.00 62.01 H new ATOM 0 HH21 ARG A 77 4.557 14.259 -2.438 1.00 61.14 H new ATOM 0 HH22 ARG A 77 3.138 15.288 -2.219 1.00 61.14 H new ATOM 1259 N TRP A 78 2.035 6.512 1.583 1.00 40.34 N ATOM 1260 CA TRP A 78 1.279 5.632 2.466 1.00 71.34 C ATOM 1261 C TRP A 78 1.963 4.268 2.574 1.00 4.14 C ATOM 1262 O TRP A 78 2.142 3.733 3.670 1.00 5.15 O ATOM 1263 CB TRP A 78 -0.146 5.477 1.919 1.00 33.12 C ATOM 1264 CG TRP A 78 -1.117 4.842 2.870 1.00 52.34 C ATOM 1265 CD1 TRP A 78 -1.348 3.507 3.048 1.00 21.32 C ATOM 1266 CD2 TRP A 78 -2.008 5.527 3.760 1.00 43.13 C ATOM 1267 NE1 TRP A 78 -2.328 3.322 3.992 1.00 44.44 N ATOM 1268 CE2 TRP A 78 -2.745 4.546 4.447 1.00 13.04 C ATOM 1269 CE3 TRP A 78 -2.250 6.876 4.043 1.00 24.33 C ATOM 1270 CZ2 TRP A 78 -3.710 4.873 5.399 1.00 31.43 C ATOM 1271 CZ3 TRP A 78 -3.204 7.198 4.990 1.00 65.44 C ATOM 1272 CH2 TRP A 78 -3.924 6.200 5.658 1.00 1.01 C ATOM 0 H TRP A 78 1.500 6.857 0.786 1.00 40.34 H new ATOM 0 HA TRP A 78 1.238 6.068 3.464 1.00 71.34 H new ATOM 0 HB2 TRP A 78 -0.522 6.461 1.640 1.00 33.12 H new ATOM 0 HB3 TRP A 78 -0.108 4.880 1.008 1.00 33.12 H new ATOM 0 HD1 TRP A 78 -0.835 2.714 2.524 1.00 21.32 H new ATOM 0 HE1 TRP A 78 -2.687 2.420 4.304 1.00 44.44 H new ATOM 0 HE3 TRP A 78 -1.701 7.652 3.530 1.00 24.33 H new ATOM 0 HZ2 TRP A 78 -4.269 4.106 5.914 1.00 31.43 H new ATOM 0 HZ3 TRP A 78 -3.397 8.236 5.218 1.00 65.44 H new ATOM 0 HH2 TRP A 78 -4.663 6.483 6.393 1.00 1.01 H new ATOM 1283 N LEU A 79 2.363 3.724 1.425 1.00 52.41 N ATOM 1284 CA LEU A 79 3.044 2.436 1.372 1.00 25.51 C ATOM 1285 C LEU A 79 4.358 2.478 2.140 1.00 45.10 C ATOM 1286 O LEU A 79 4.703 1.530 2.845 1.00 40.14 O ATOM 1287 CB LEU A 79 3.318 2.031 -0.078 1.00 54.33 C ATOM 1288 CG LEU A 79 2.078 1.834 -0.952 1.00 53.14 C ATOM 1289 CD1 LEU A 79 2.476 1.511 -2.385 1.00 40.54 C ATOM 1290 CD2 LEU A 79 1.190 0.740 -0.378 1.00 3.35 C ATOM 0 H LEU A 79 2.225 4.161 0.514 1.00 52.41 H new ATOM 0 HA LEU A 79 2.388 1.699 1.836 1.00 25.51 H new ATOM 0 HB2 LEU A 79 3.947 2.793 -0.537 1.00 54.33 H new ATOM 0 HB3 LEU A 79 3.891 1.104 -0.076 1.00 54.33 H new ATOM 0 HG LEU A 79 1.511 2.765 -0.960 1.00 53.14 H new ATOM 0 HD11 LEU A 79 1.579 1.375 -2.990 1.00 40.54 H new ATOM 0 HD12 LEU A 79 3.067 2.331 -2.792 1.00 40.54 H new ATOM 0 HD13 LEU A 79 3.067 0.595 -2.401 1.00 40.54 H new ATOM 0 HD21 LEU A 79 0.313 0.613 -1.012 1.00 3.35 H new ATOM 0 HD22 LEU A 79 1.747 -0.196 -0.337 1.00 3.35 H new ATOM 0 HD23 LEU A 79 0.874 1.018 0.627 1.00 3.35 H new ATOM 1302 N LYS A 80 5.086 3.582 2.010 1.00 34.24 N ATOM 1303 CA LYS A 80 6.366 3.727 2.669 1.00 51.35 C ATOM 1304 C LYS A 80 6.176 3.725 4.182 1.00 5.42 C ATOM 1305 O LYS A 80 6.937 3.087 4.906 1.00 53.35 O ATOM 1306 CB LYS A 80 7.062 5.005 2.182 1.00 63.01 C ATOM 1307 CG LYS A 80 8.352 5.330 2.913 1.00 23.02 C ATOM 1308 CD LYS A 80 8.088 6.192 4.134 1.00 63.23 C ATOM 1309 CE LYS A 80 7.685 7.608 3.751 1.00 4.21 C ATOM 1310 NZ LYS A 80 8.825 8.370 3.177 1.00 22.22 N ATOM 0 H LYS A 80 4.805 4.388 1.451 1.00 34.24 H new ATOM 0 HA LYS A 80 7.007 2.883 2.416 1.00 51.35 H new ATOM 0 HB2 LYS A 80 7.276 4.905 1.118 1.00 63.01 H new ATOM 0 HB3 LYS A 80 6.375 5.844 2.292 1.00 63.01 H new ATOM 0 HG2 LYS A 80 8.844 4.406 3.216 1.00 23.02 H new ATOM 0 HG3 LYS A 80 9.034 5.848 2.239 1.00 23.02 H new ATOM 0 HD2 LYS A 80 7.299 5.740 4.734 1.00 63.23 H new ATOM 0 HD3 LYS A 80 8.983 6.225 4.756 1.00 63.23 H new ATOM 0 HE2 LYS A 80 6.871 7.571 3.027 1.00 4.21 H new ATOM 0 HE3 LYS A 80 7.306 8.129 4.630 1.00 4.21 H new ATOM 0 HZ1 LYS A 80 8.581 9.380 3.133 1.00 22.22 H new ATOM 0 HZ2 LYS A 80 9.665 8.243 3.777 1.00 22.22 H new ATOM 0 HZ3 LYS A 80 9.028 8.021 2.219 1.00 22.22 H new ATOM 1324 N ARG A 81 5.136 4.415 4.650 1.00 31.35 N ATOM 1325 CA ARG A 81 4.824 4.454 6.076 1.00 40.11 C ATOM 1326 C ARG A 81 4.461 3.060 6.577 1.00 31.14 C ATOM 1327 O ARG A 81 4.808 2.679 7.693 1.00 25.13 O ATOM 1328 CB ARG A 81 3.669 5.417 6.366 1.00 20.42 C ATOM 1329 CG ARG A 81 3.963 6.869 6.023 1.00 25.33 C ATOM 1330 CD ARG A 81 2.737 7.737 6.261 1.00 24.41 C ATOM 1331 NE ARG A 81 3.031 9.167 6.156 1.00 23.53 N ATOM 1332 CZ ARG A 81 2.125 10.128 6.350 1.00 32.51 C ATOM 1333 NH1 ARG A 81 0.858 9.810 6.590 1.00 4.05 N ATOM 1334 NH2 ARG A 81 2.487 11.402 6.307 1.00 44.12 N ATOM 0 H ARG A 81 4.498 4.953 4.063 1.00 31.35 H new ATOM 0 HA ARG A 81 5.712 4.810 6.599 1.00 40.11 H new ATOM 0 HB2 ARG A 81 2.792 5.094 5.805 1.00 20.42 H new ATOM 0 HB3 ARG A 81 3.413 5.350 7.423 1.00 20.42 H new ATOM 0 HG2 ARG A 81 4.794 7.230 6.630 1.00 25.33 H new ATOM 0 HG3 ARG A 81 4.272 6.946 4.981 1.00 25.33 H new ATOM 0 HD2 ARG A 81 1.965 7.475 5.538 1.00 24.41 H new ATOM 0 HD3 ARG A 81 2.333 7.525 7.251 1.00 24.41 H new ATOM 0 HE ARG A 81 3.984 9.445 5.921 1.00 23.53 H new ATOM 0 HH11 ARG A 81 0.576 8.830 6.626 1.00 4.05 H new ATOM 0 HH12 ARG A 81 0.167 10.545 6.738 1.00 4.05 H new ATOM 0 HH21 ARG A 81 3.460 11.650 6.125 1.00 44.12 H new ATOM 0 HH22 ARG A 81 1.793 12.135 6.455 1.00 44.12 H new ATOM 1348 N MET A 82 3.762 2.308 5.737 1.00 14.22 N ATOM 1349 CA MET A 82 3.356 0.949 6.070 1.00 54.43 C ATOM 1350 C MET A 82 4.562 0.012 6.124 1.00 13.12 C ATOM 1351 O MET A 82 4.700 -0.779 7.058 1.00 73.53 O ATOM 1352 CB MET A 82 2.337 0.438 5.049 1.00 13.24 C ATOM 1353 CG MET A 82 1.792 -0.946 5.369 1.00 20.12 C ATOM 1354 SD MET A 82 0.621 -1.538 4.131 1.00 10.52 S ATOM 1355 CE MET A 82 1.669 -1.599 2.680 1.00 71.10 C ATOM 0 H MET A 82 3.462 2.619 4.813 1.00 14.22 H new ATOM 0 HA MET A 82 2.895 0.965 7.057 1.00 54.43 H new ATOM 0 HB2 MET A 82 1.507 1.142 4.994 1.00 13.24 H new ATOM 0 HB3 MET A 82 2.803 0.417 4.064 1.00 13.24 H new ATOM 0 HG2 MET A 82 2.621 -1.650 5.444 1.00 20.12 H new ATOM 0 HG3 MET A 82 1.304 -0.923 6.343 1.00 20.12 H new ATOM 0 HE1 MET A 82 1.232 -2.273 1.944 1.00 71.10 H new ATOM 0 HE2 MET A 82 1.756 -0.601 2.251 1.00 71.10 H new ATOM 0 HE3 MET A 82 2.658 -1.960 2.961 1.00 71.10 H new ATOM 1365 N PHE A 83 5.438 0.103 5.125 1.00 2.43 N ATOM 1366 CA PHE A 83 6.647 -0.714 5.102 1.00 2.11 C ATOM 1367 C PHE A 83 7.571 -0.337 6.250 1.00 2.54 C ATOM 1368 O PHE A 83 8.173 -1.203 6.881 1.00 4.34 O ATOM 1369 CB PHE A 83 7.383 -0.576 3.767 1.00 5.33 C ATOM 1370 CG PHE A 83 6.673 -1.233 2.616 1.00 53.12 C ATOM 1371 CD1 PHE A 83 6.216 -2.539 2.719 1.00 24.13 C ATOM 1372 CD2 PHE A 83 6.468 -0.549 1.426 1.00 14.13 C ATOM 1373 CE1 PHE A 83 5.572 -3.149 1.659 1.00 34.34 C ATOM 1374 CE2 PHE A 83 5.824 -1.154 0.364 1.00 14.12 C ATOM 1375 CZ PHE A 83 5.374 -2.456 0.481 1.00 64.10 C ATOM 0 H PHE A 83 5.334 0.730 4.327 1.00 2.43 H new ATOM 0 HA PHE A 83 6.346 -1.755 5.220 1.00 2.11 H new ATOM 0 HB2 PHE A 83 7.517 0.482 3.544 1.00 5.33 H new ATOM 0 HB3 PHE A 83 8.378 -1.010 3.864 1.00 5.33 H new ATOM 0 HD1 PHE A 83 6.365 -3.086 3.638 1.00 24.13 H new ATOM 0 HD2 PHE A 83 6.816 0.469 1.329 1.00 14.13 H new ATOM 0 HE1 PHE A 83 5.224 -4.167 1.752 1.00 34.34 H new ATOM 0 HE2 PHE A 83 5.672 -0.610 -0.557 1.00 14.12 H new ATOM 0 HZ PHE A 83 4.869 -2.930 -0.347 1.00 64.10 H new ATOM 1385 N ASN A 84 7.667 0.959 6.519 1.00 23.04 N ATOM 1386 CA ASN A 84 8.436 1.457 7.654 1.00 52.22 C ATOM 1387 C ASN A 84 7.866 0.908 8.957 1.00 55.34 C ATOM 1388 O ASN A 84 8.601 0.471 9.842 1.00 31.40 O ATOM 1389 CB ASN A 84 8.410 2.987 7.679 1.00 63.05 C ATOM 1390 CG ASN A 84 9.020 3.560 8.942 1.00 30.13 C ATOM 1391 OD1 ASN A 84 8.326 3.805 9.932 1.00 63.24 O ATOM 1392 ND2 ASN A 84 10.312 3.806 8.910 1.00 3.10 N ATOM 0 H ASN A 84 7.220 1.688 5.964 1.00 23.04 H new ATOM 0 HA ASN A 84 9.468 1.122 7.550 1.00 52.22 H new ATOM 0 HB2 ASN A 84 8.950 3.370 6.813 1.00 63.05 H new ATOM 0 HB3 ASN A 84 7.379 3.331 7.589 1.00 63.05 H new ATOM 0 HD21 ASN A 84 10.774 4.214 9.723 1.00 3.10 H new ATOM 0 HD22 ASN A 84 10.852 3.589 8.072 1.00 3.10 H new ATOM 1399 N TYR A 85 6.546 0.943 9.049 1.00 11.40 N ATOM 1400 CA TYR A 85 5.818 0.390 10.187 1.00 54.34 C ATOM 1401 C TYR A 85 6.191 -1.073 10.412 1.00 62.43 C ATOM 1402 O TYR A 85 6.361 -1.514 11.551 1.00 3.42 O ATOM 1403 CB TYR A 85 4.312 0.516 9.939 1.00 63.43 C ATOM 1404 CG TYR A 85 3.458 0.280 11.163 1.00 71.50 C ATOM 1405 CD1 TYR A 85 3.339 1.260 12.136 1.00 41.21 C ATOM 1406 CD2 TYR A 85 2.766 -0.912 11.343 1.00 31.35 C ATOM 1407 CE1 TYR A 85 2.560 1.064 13.255 1.00 22.31 C ATOM 1408 CE2 TYR A 85 1.979 -1.116 12.464 1.00 40.50 C ATOM 1409 CZ TYR A 85 1.880 -0.121 13.415 1.00 75.23 C ATOM 1410 OH TYR A 85 1.103 -0.307 14.536 1.00 23.32 O ATOM 0 H TYR A 85 5.945 1.356 8.336 1.00 11.40 H new ATOM 0 HA TYR A 85 6.089 0.950 11.082 1.00 54.34 H new ATOM 0 HB2 TYR A 85 4.102 1.512 9.550 1.00 63.43 H new ATOM 0 HB3 TYR A 85 4.022 -0.195 9.166 1.00 63.43 H new ATOM 0 HD1 TYR A 85 3.867 2.194 12.015 1.00 41.21 H new ATOM 0 HD2 TYR A 85 2.843 -1.690 10.598 1.00 31.35 H new ATOM 0 HE1 TYR A 85 2.483 1.838 14.004 1.00 22.31 H new ATOM 0 HE2 TYR A 85 1.447 -2.047 12.593 1.00 40.50 H new ATOM 0 HH TYR A 85 0.756 0.557 14.840 1.00 23.32 H new ATOM 1420 N ALA A 86 6.333 -1.812 9.316 1.00 12.12 N ATOM 1421 CA ALA A 86 6.698 -3.220 9.375 1.00 4.11 C ATOM 1422 C ALA A 86 8.136 -3.399 9.860 1.00 22.43 C ATOM 1423 O ALA A 86 8.462 -4.401 10.500 1.00 51.52 O ATOM 1424 CB ALA A 86 6.503 -3.875 8.015 1.00 51.35 C ATOM 0 H ALA A 86 6.199 -1.454 8.370 1.00 12.12 H new ATOM 0 HA ALA A 86 6.042 -3.710 10.095 1.00 4.11 H new ATOM 0 HB1 ALA A 86 6.780 -4.927 8.075 1.00 51.35 H new ATOM 0 HB2 ALA A 86 5.458 -3.791 7.717 1.00 51.35 H new ATOM 0 HB3 ALA A 86 7.131 -3.376 7.277 1.00 51.35 H new ATOM 1430 N ILE A 87 8.989 -2.426 9.562 1.00 25.00 N ATOM 1431 CA ILE A 87 10.375 -2.459 10.018 1.00 21.42 C ATOM 1432 C ILE A 87 10.435 -2.288 11.533 1.00 53.24 C ATOM 1433 O ILE A 87 11.165 -3.003 12.221 1.00 43.24 O ATOM 1434 CB ILE A 87 11.227 -1.361 9.338 1.00 45.33 C ATOM 1435 CG1 ILE A 87 11.197 -1.534 7.816 1.00 32.42 C ATOM 1436 CG2 ILE A 87 12.662 -1.404 9.850 1.00 31.43 C ATOM 1437 CD1 ILE A 87 11.949 -0.458 7.062 1.00 13.05 C ATOM 0 H ILE A 87 8.746 -1.605 9.007 1.00 25.00 H new ATOM 0 HA ILE A 87 10.788 -3.429 9.741 1.00 21.42 H new ATOM 0 HB ILE A 87 10.803 -0.388 9.587 1.00 45.33 H new ATOM 0 HG12 ILE A 87 11.621 -2.506 7.562 1.00 32.42 H new ATOM 0 HG13 ILE A 87 10.160 -1.541 7.481 1.00 32.42 H new ATOM 0 HG21 ILE A 87 13.246 -0.625 9.361 1.00 31.43 H new ATOM 0 HG22 ILE A 87 12.669 -1.240 10.928 1.00 31.43 H new ATOM 0 HG23 ILE A 87 13.098 -2.378 9.628 1.00 31.43 H new ATOM 0 HD11 ILE A 87 11.882 -0.650 5.991 1.00 13.05 H new ATOM 0 HD12 ILE A 87 11.512 0.515 7.285 1.00 13.05 H new ATOM 0 HD13 ILE A 87 12.996 -0.464 7.367 1.00 13.05 H new ATOM 1449 N LYS A 88 9.636 -1.356 12.042 1.00 11.12 N ATOM 1450 CA LYS A 88 9.579 -1.070 13.476 1.00 73.53 C ATOM 1451 C LYS A 88 9.226 -2.320 14.270 1.00 54.34 C ATOM 1452 O LYS A 88 9.883 -2.662 15.252 1.00 54.23 O ATOM 1453 CB LYS A 88 8.507 -0.021 13.741 1.00 51.25 C ATOM 1454 CG LYS A 88 8.680 1.250 12.940 1.00 61.42 C ATOM 1455 CD LYS A 88 7.373 2.017 12.847 1.00 62.34 C ATOM 1456 CE LYS A 88 6.767 2.272 14.217 1.00 12.12 C ATOM 1457 NZ LYS A 88 5.639 3.241 14.158 1.00 71.13 N ATOM 0 H LYS A 88 9.012 -0.779 11.478 1.00 11.12 H new ATOM 0 HA LYS A 88 10.560 -0.711 13.787 1.00 73.53 H new ATOM 0 HB2 LYS A 88 7.530 -0.450 13.517 1.00 51.25 H new ATOM 0 HB3 LYS A 88 8.510 0.227 14.802 1.00 51.25 H new ATOM 0 HG2 LYS A 88 9.441 1.876 13.405 1.00 61.42 H new ATOM 0 HG3 LYS A 88 9.035 1.007 11.939 1.00 61.42 H new ATOM 0 HD2 LYS A 88 7.545 2.968 12.343 1.00 62.34 H new ATOM 0 HD3 LYS A 88 6.666 1.456 12.236 1.00 62.34 H new ATOM 0 HE2 LYS A 88 6.414 1.331 14.638 1.00 12.12 H new ATOM 0 HE3 LYS A 88 7.537 2.653 14.888 1.00 12.12 H new ATOM 0 HZ1 LYS A 88 5.311 3.451 15.122 1.00 71.13 H new ATOM 0 HZ2 LYS A 88 5.959 4.119 13.703 1.00 71.13 H new ATOM 0 HZ3 LYS A 88 4.858 2.831 13.608 1.00 71.13 H new ATOM 1471 N ARG A 89 8.183 -2.996 13.823 1.00 10.21 N ATOM 1472 CA ARG A 89 7.704 -4.210 14.490 1.00 3.21 C ATOM 1473 C ARG A 89 8.533 -5.446 14.113 1.00 4.12 C ATOM 1474 O ARG A 89 8.127 -6.579 14.381 1.00 53.31 O ATOM 1475 CB ARG A 89 6.219 -4.428 14.182 1.00 34.24 C ATOM 1476 CG ARG A 89 5.888 -4.436 12.700 1.00 41.05 C ATOM 1477 CD ARG A 89 4.412 -4.149 12.451 1.00 12.12 C ATOM 1478 NE ARG A 89 3.533 -5.205 12.952 1.00 44.02 N ATOM 1479 CZ ARG A 89 2.808 -5.111 14.064 1.00 31.11 C ATOM 1480 NH1 ARG A 89 2.924 -4.044 14.843 1.00 64.11 N ATOM 1481 NH2 ARG A 89 1.974 -6.090 14.397 1.00 1.14 N ATOM 0 H ARG A 89 7.645 -2.730 12.999 1.00 10.21 H new ATOM 0 HA ARG A 89 7.826 -4.068 15.564 1.00 3.21 H new ATOM 0 HB2 ARG A 89 5.904 -5.375 14.619 1.00 34.24 H new ATOM 0 HB3 ARG A 89 5.639 -3.644 14.669 1.00 34.24 H new ATOM 0 HG2 ARG A 89 6.495 -3.690 12.187 1.00 41.05 H new ATOM 0 HG3 ARG A 89 6.147 -5.405 12.274 1.00 41.05 H new ATOM 0 HD2 ARG A 89 4.145 -3.205 12.927 1.00 12.12 H new ATOM 0 HD3 ARG A 89 4.247 -4.024 11.381 1.00 12.12 H new ATOM 0 HE ARG A 89 3.472 -6.070 12.414 1.00 44.02 H new ATOM 0 HH11 ARG A 89 3.569 -3.295 14.590 1.00 64.11 H new ATOM 0 HH12 ARG A 89 2.368 -3.972 15.695 1.00 64.11 H new ATOM 0 HH21 ARG A 89 1.890 -6.913 13.801 1.00 1.14 H new ATOM 0 HH22 ARG A 89 1.418 -6.019 15.249 1.00 1.14 H new ATOM 1495 N HIS A 90 9.693 -5.212 13.496 1.00 2.04 N ATOM 1496 CA HIS A 90 10.681 -6.262 13.233 1.00 40.21 C ATOM 1497 C HIS A 90 10.145 -7.330 12.272 1.00 32.33 C ATOM 1498 O HIS A 90 10.493 -8.507 12.367 1.00 42.40 O ATOM 1499 CB HIS A 90 11.139 -6.892 14.560 1.00 31.43 C ATOM 1500 CG HIS A 90 12.363 -7.752 14.440 1.00 12.41 C ATOM 1501 ND1 HIS A 90 12.379 -9.090 14.774 1.00 54.33 N ATOM 1502 CD2 HIS A 90 13.620 -7.455 14.033 1.00 65.41 C ATOM 1503 CE1 HIS A 90 13.589 -9.575 14.580 1.00 61.42 C ATOM 1504 NE2 HIS A 90 14.362 -8.607 14.128 1.00 51.22 N ATOM 0 H HIS A 90 9.975 -4.289 13.164 1.00 2.04 H new ATOM 0 HA HIS A 90 11.539 -5.802 12.742 1.00 40.21 H new ATOM 0 HB2 HIS A 90 11.336 -6.096 15.279 1.00 31.43 H new ATOM 0 HB3 HIS A 90 10.324 -7.493 14.965 1.00 31.43 H new ATOM 0 HD2 HIS A 90 13.973 -6.492 13.696 1.00 65.41 H new ATOM 0 HE1 HIS A 90 13.896 -10.595 14.761 1.00 61.42 H new ATOM 0 HE2 HIS A 90 15.349 -8.699 13.888 1.00 51.22 H new ATOM 1513 N ILE A 91 9.314 -6.915 11.327 1.00 3.41 N ATOM 1514 CA ILE A 91 8.844 -7.825 10.293 1.00 73.10 C ATOM 1515 C ILE A 91 9.836 -7.843 9.141 1.00 71.42 C ATOM 1516 O ILE A 91 10.232 -8.905 8.657 1.00 0.32 O ATOM 1517 CB ILE A 91 7.448 -7.436 9.767 1.00 3.30 C ATOM 1518 CG1 ILE A 91 6.420 -7.518 10.895 1.00 4.43 C ATOM 1519 CG2 ILE A 91 7.038 -8.337 8.606 1.00 21.13 C ATOM 1520 CD1 ILE A 91 5.011 -7.198 10.452 1.00 44.11 C ATOM 0 H ILE A 91 8.954 -5.963 11.255 1.00 3.41 H new ATOM 0 HA ILE A 91 8.764 -8.817 10.738 1.00 73.10 H new ATOM 0 HB ILE A 91 7.489 -6.410 9.403 1.00 3.30 H new ATOM 0 HG12 ILE A 91 6.439 -8.521 11.321 1.00 4.43 H new ATOM 0 HG13 ILE A 91 6.708 -6.829 11.689 1.00 4.43 H new ATOM 0 HG21 ILE A 91 6.050 -8.045 8.250 1.00 21.13 H new ATOM 0 HG22 ILE A 91 7.760 -8.237 7.795 1.00 21.13 H new ATOM 0 HG23 ILE A 91 7.011 -9.374 8.942 1.00 21.13 H new ATOM 0 HD11 ILE A 91 4.335 -7.276 11.304 1.00 44.11 H new ATOM 0 HD12 ILE A 91 4.976 -6.184 10.053 1.00 44.11 H new ATOM 0 HD13 ILE A 91 4.704 -7.903 9.679 1.00 44.11 H new ATOM 1532 N ILE A 92 10.242 -6.658 8.711 1.00 54.31 N ATOM 1533 CA ILE A 92 11.233 -6.525 7.659 1.00 30.43 C ATOM 1534 C ILE A 92 12.321 -5.554 8.079 1.00 64.30 C ATOM 1535 O ILE A 92 12.120 -4.722 8.965 1.00 1.22 O ATOM 1536 CB ILE A 92 10.618 -6.047 6.324 1.00 31.52 C ATOM 1537 CG1 ILE A 92 9.813 -4.758 6.530 1.00 74.43 C ATOM 1538 CG2 ILE A 92 9.751 -7.138 5.717 1.00 50.53 C ATOM 1539 CD1 ILE A 92 9.286 -4.154 5.245 1.00 3.41 C ATOM 0 H ILE A 92 9.897 -5.771 9.078 1.00 54.31 H new ATOM 0 HA ILE A 92 11.654 -7.518 7.499 1.00 30.43 H new ATOM 0 HB ILE A 92 11.429 -5.830 5.628 1.00 31.52 H new ATOM 0 HG12 ILE A 92 8.974 -4.967 7.193 1.00 74.43 H new ATOM 0 HG13 ILE A 92 10.442 -4.024 7.034 1.00 74.43 H new ATOM 0 HG21 ILE A 92 9.326 -6.784 4.778 1.00 50.53 H new ATOM 0 HG22 ILE A 92 10.358 -8.024 5.530 1.00 50.53 H new ATOM 0 HG23 ILE A 92 8.946 -7.389 6.408 1.00 50.53 H new ATOM 0 HD11 ILE A 92 8.728 -3.246 5.472 1.00 3.41 H new ATOM 0 HD12 ILE A 92 10.121 -3.912 4.588 1.00 3.41 H new ATOM 0 HD13 ILE A 92 8.629 -4.869 4.749 1.00 3.41 H new ATOM 1551 N GLU A 93 13.476 -5.679 7.458 1.00 73.40 N ATOM 1552 CA GLU A 93 14.587 -4.786 7.727 1.00 42.33 C ATOM 1553 C GLU A 93 14.767 -3.821 6.557 1.00 35.23 C ATOM 1554 O GLU A 93 15.133 -2.659 6.737 1.00 12.15 O ATOM 1555 CB GLU A 93 15.854 -5.609 7.961 1.00 54.41 C ATOM 1556 CG GLU A 93 17.059 -4.797 8.398 1.00 32.10 C ATOM 1557 CD GLU A 93 18.276 -5.668 8.612 1.00 2.44 C ATOM 1558 OE1 GLU A 93 18.866 -6.127 7.610 1.00 21.24 O ATOM 1559 OE2 GLU A 93 18.641 -5.918 9.781 1.00 31.34 O ATOM 0 H GLU A 93 13.671 -6.395 6.759 1.00 73.40 H new ATOM 0 HA GLU A 93 14.384 -4.200 8.623 1.00 42.33 H new ATOM 0 HB2 GLU A 93 15.647 -6.365 8.719 1.00 54.41 H new ATOM 0 HB3 GLU A 93 16.103 -6.139 7.042 1.00 54.41 H new ATOM 0 HG2 GLU A 93 17.281 -4.042 7.644 1.00 32.10 H new ATOM 0 HG3 GLU A 93 16.825 -4.267 9.321 1.00 32.10 H new ATOM 1566 N TYR A 94 14.486 -4.315 5.358 1.00 54.43 N ATOM 1567 CA TYR A 94 14.565 -3.510 4.149 1.00 62.04 C ATOM 1568 C TYR A 94 13.210 -3.499 3.449 1.00 1.44 C ATOM 1569 O TYR A 94 12.536 -4.527 3.386 1.00 34.31 O ATOM 1570 CB TYR A 94 15.654 -4.067 3.222 1.00 40.52 C ATOM 1571 CG TYR A 94 15.736 -3.392 1.868 1.00 0.20 C ATOM 1572 CD1 TYR A 94 16.338 -2.148 1.722 1.00 41.01 C ATOM 1573 CD2 TYR A 94 15.209 -4.003 0.736 1.00 42.42 C ATOM 1574 CE1 TYR A 94 16.415 -1.534 0.485 1.00 1.21 C ATOM 1575 CE2 TYR A 94 15.282 -3.397 -0.503 1.00 52.14 C ATOM 1576 CZ TYR A 94 15.885 -2.163 -0.623 1.00 30.34 C ATOM 1577 OH TYR A 94 15.956 -1.556 -1.859 1.00 25.14 O ATOM 0 H TYR A 94 14.198 -5.280 5.198 1.00 54.43 H new ATOM 0 HA TYR A 94 14.828 -2.485 4.410 1.00 62.04 H new ATOM 0 HB2 TYR A 94 16.619 -3.973 3.719 1.00 40.52 H new ATOM 0 HB3 TYR A 94 15.475 -5.132 3.072 1.00 40.52 H new ATOM 0 HD1 TYR A 94 16.752 -1.653 2.588 1.00 41.01 H new ATOM 0 HD2 TYR A 94 14.734 -4.969 0.827 1.00 42.42 H new ATOM 0 HE1 TYR A 94 16.887 -0.568 0.387 1.00 1.21 H new ATOM 0 HE2 TYR A 94 14.869 -3.887 -1.373 1.00 52.14 H new ATOM 0 HH TYR A 94 15.537 -2.133 -2.531 1.00 25.14 H new ATOM 1587 N ASN A 95 12.806 -2.339 2.946 1.00 64.50 N ATOM 1588 CA ASN A 95 11.522 -2.210 2.269 1.00 23.33 C ATOM 1589 C ASN A 95 11.708 -2.178 0.755 1.00 31.41 C ATOM 1590 O ASN A 95 12.672 -1.605 0.247 1.00 31.52 O ATOM 1591 CB ASN A 95 10.773 -0.950 2.738 1.00 71.22 C ATOM 1592 CG ASN A 95 11.479 0.350 2.383 1.00 34.13 C ATOM 1593 OD1 ASN A 95 12.708 0.429 2.366 1.00 1.12 O ATOM 1594 ND2 ASN A 95 10.699 1.385 2.098 1.00 35.23 N ATOM 0 H ASN A 95 13.348 -1.476 2.994 1.00 64.50 H new ATOM 0 HA ASN A 95 10.922 -3.083 2.528 1.00 23.33 H new ATOM 0 HB2 ASN A 95 9.777 -0.945 2.295 1.00 71.22 H new ATOM 0 HB3 ASN A 95 10.641 -0.998 3.819 1.00 71.22 H new ATOM 0 HD21 ASN A 95 11.114 2.284 1.854 1.00 35.23 H new ATOM 0 HD22 ASN A 95 9.685 1.281 2.123 1.00 35.23 H new ATOM 1601 N PRO A 96 10.771 -2.788 0.012 1.00 1.11 N ATOM 1602 CA PRO A 96 10.843 -2.891 -1.452 1.00 10.40 C ATOM 1603 C PRO A 96 10.530 -1.574 -2.162 1.00 42.35 C ATOM 1604 O PRO A 96 10.592 -1.492 -3.388 1.00 31.43 O ATOM 1605 CB PRO A 96 9.775 -3.941 -1.798 1.00 15.24 C ATOM 1606 CG PRO A 96 9.344 -4.530 -0.493 1.00 54.41 C ATOM 1607 CD PRO A 96 9.579 -3.467 0.533 1.00 3.22 C ATOM 0 HA PRO A 96 11.849 -3.155 -1.777 1.00 10.40 H new ATOM 0 HB2 PRO A 96 8.933 -3.485 -2.318 1.00 15.24 H new ATOM 0 HB3 PRO A 96 10.180 -4.708 -2.458 1.00 15.24 H new ATOM 0 HG2 PRO A 96 8.293 -4.819 -0.523 1.00 54.41 H new ATOM 0 HG3 PRO A 96 9.916 -5.429 -0.262 1.00 54.41 H new ATOM 0 HD2 PRO A 96 8.730 -2.789 0.618 1.00 3.22 H new ATOM 0 HD3 PRO A 96 9.751 -3.889 1.523 1.00 3.22 H new ATOM 1615 N ALA A 97 10.201 -0.550 -1.389 1.00 40.51 N ATOM 1616 CA ALA A 97 9.849 0.750 -1.945 1.00 11.30 C ATOM 1617 C ALA A 97 10.907 1.792 -1.598 1.00 75.43 C ATOM 1618 O ALA A 97 10.635 2.991 -1.580 1.00 45.21 O ATOM 1619 CB ALA A 97 8.485 1.186 -1.429 1.00 51.23 C ATOM 0 H ALA A 97 10.170 -0.594 -0.370 1.00 40.51 H new ATOM 0 HA ALA A 97 9.804 0.661 -3.030 1.00 11.30 H new ATOM 0 HB1 ALA A 97 8.231 2.159 -1.850 1.00 51.23 H new ATOM 0 HB2 ALA A 97 7.733 0.455 -1.725 1.00 51.23 H new ATOM 0 HB3 ALA A 97 8.513 1.257 -0.342 1.00 51.23 H new ATOM 1625 N ALA A 98 12.122 1.328 -1.340 1.00 51.22 N ATOM 1626 CA ALA A 98 13.214 2.213 -0.948 1.00 72.22 C ATOM 1627 C ALA A 98 13.662 3.100 -2.105 1.00 72.01 C ATOM 1628 O ALA A 98 14.053 4.252 -1.904 1.00 55.32 O ATOM 1629 CB ALA A 98 14.387 1.398 -0.430 1.00 20.42 C ATOM 0 H ALA A 98 12.378 0.342 -1.395 1.00 51.22 H new ATOM 0 HA ALA A 98 12.847 2.863 -0.154 1.00 72.22 H new ATOM 0 HB1 ALA A 98 15.196 2.068 -0.140 1.00 20.42 H new ATOM 0 HB2 ALA A 98 14.071 0.815 0.435 1.00 20.42 H new ATOM 0 HB3 ALA A 98 14.736 0.725 -1.213 1.00 20.42 H new ATOM 1635 N ALA A 99 13.601 2.569 -3.318 1.00 62.41 N ATOM 1636 CA ALA A 99 14.066 3.299 -4.489 1.00 50.20 C ATOM 1637 C ALA A 99 12.912 3.961 -5.233 1.00 35.21 C ATOM 1638 O ALA A 99 13.125 4.660 -6.222 1.00 43.14 O ATOM 1639 CB ALA A 99 14.843 2.374 -5.416 1.00 32.45 C ATOM 0 H ALA A 99 13.235 1.638 -3.517 1.00 62.41 H new ATOM 0 HA ALA A 99 14.731 4.091 -4.145 1.00 50.20 H new ATOM 0 HB1 ALA A 99 15.184 2.934 -6.287 1.00 32.45 H new ATOM 0 HB2 ALA A 99 15.704 1.967 -4.886 1.00 32.45 H new ATOM 0 HB3 ALA A 99 14.198 1.557 -5.740 1.00 32.45 H new ATOM 1645 N PHE A 100 11.695 3.750 -4.753 1.00 23.22 N ATOM 1646 CA PHE A 100 10.523 4.344 -5.383 1.00 3.32 C ATOM 1647 C PHE A 100 10.294 5.762 -4.875 1.00 25.22 C ATOM 1648 O PHE A 100 9.995 5.972 -3.697 1.00 34.23 O ATOM 1649 CB PHE A 100 9.271 3.495 -5.141 1.00 60.32 C ATOM 1650 CG PHE A 100 9.220 2.243 -5.971 1.00 60.11 C ATOM 1651 CD1 PHE A 100 8.931 2.308 -7.325 1.00 3.20 C ATOM 1652 CD2 PHE A 100 9.457 1.005 -5.403 1.00 53.54 C ATOM 1653 CE1 PHE A 100 8.879 1.161 -8.094 1.00 12.12 C ATOM 1654 CE2 PHE A 100 9.408 -0.145 -6.165 1.00 11.42 C ATOM 1655 CZ PHE A 100 9.118 -0.067 -7.513 1.00 14.43 C ATOM 0 H PHE A 100 11.493 3.176 -3.935 1.00 23.22 H new ATOM 0 HA PHE A 100 10.713 4.380 -6.456 1.00 3.32 H new ATOM 0 HB2 PHE A 100 9.225 3.223 -4.086 1.00 60.32 H new ATOM 0 HB3 PHE A 100 8.388 4.097 -5.353 1.00 60.32 H new ATOM 0 HD1 PHE A 100 8.744 3.267 -7.785 1.00 3.20 H new ATOM 0 HD2 PHE A 100 9.683 0.937 -4.349 1.00 53.54 H new ATOM 0 HE1 PHE A 100 8.652 1.226 -9.148 1.00 12.12 H new ATOM 0 HE2 PHE A 100 9.596 -1.105 -5.707 1.00 11.42 H new ATOM 0 HZ PHE A 100 9.078 -0.966 -8.111 1.00 14.43 H new