USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 606 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 Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.0046) USER MOD Single : A 19 ASN : amide:sc= -0.659 X(o=-0.66,f=-0.36) USER MOD Single : A 22 GLN : amide:sc= -0.237 X(o=-0.24,f=-0.23) USER MOD Single : A 30 GLN : amide:sc= -3.64! K(o=-3.6!,f=-2.1) USER MOD Single : A 32 SER OG : rot 180:sc= -0.108 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0.0364 X(o=0.036,f=-0.0063) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.258 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -131:sc= 0.286 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 165:sc= 1.11 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 168:sc= -2.42 (180deg=-3.16) USER MOD ----------------------------------------------------------------- ATOM 87 N LEU A 10 1.700 -13.263 -5.983 1.00 0.00 N ATOM 88 CA LEU A 10 2.731 -12.260 -6.229 1.00 0.00 C ATOM 89 C LEU A 10 4.086 -12.734 -5.712 1.00 0.00 C ATOM 90 O LEU A 10 4.182 -13.303 -4.625 1.00 0.00 O ATOM 91 CB LEU A 10 2.352 -10.937 -5.561 1.00 0.00 C ATOM 92 CG LEU A 10 1.296 -10.099 -6.283 1.00 0.00 C ATOM 93 CD1 LEU A 10 0.854 -8.933 -5.413 1.00 0.00 C ATOM 94 CD2 LEU A 10 1.832 -9.599 -7.617 1.00 0.00 C ATOM 0 HA LEU A 10 2.806 -12.108 -7.306 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.991 -11.151 -4.555 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.254 -10.335 -5.455 1.00 0.00 H new ATOM 0 HG LEU A 10 0.429 -10.730 -6.477 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.102 -8.348 -5.943 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.429 -9.313 -4.484 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.713 -8.301 -5.187 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.067 -9.005 -8.117 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.716 -8.984 -7.447 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.098 -10.450 -8.244 1.00 0.00 H new ATOM 106 N SER A 11 5.130 -12.493 -6.498 1.00 0.00 N ATOM 107 CA SER A 11 6.480 -12.897 -6.121 1.00 0.00 C ATOM 108 C SER A 11 7.125 -11.854 -5.213 1.00 0.00 C ATOM 109 O SER A 11 8.331 -11.617 -5.280 1.00 0.00 O ATOM 110 CB SER A 11 7.340 -13.105 -7.369 1.00 0.00 C ATOM 111 OG SER A 11 6.742 -14.039 -8.250 1.00 0.00 O ATOM 0 H SER A 11 5.067 -12.020 -7.400 1.00 0.00 H new ATOM 0 HA SER A 11 6.412 -13.838 -5.574 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.478 -12.153 -7.882 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.330 -13.457 -7.078 1.00 0.00 H new ATOM 0 HG SER A 11 7.310 -14.153 -9.040 1.00 0.00 H new ATOM 117 N LEU A 12 6.312 -11.234 -4.364 1.00 0.00 N ATOM 118 CA LEU A 12 6.802 -10.216 -3.441 1.00 0.00 C ATOM 119 C LEU A 12 7.153 -10.830 -2.090 1.00 0.00 C ATOM 120 O LEU A 12 6.791 -11.970 -1.801 1.00 0.00 O ATOM 121 CB LEU A 12 5.752 -9.119 -3.258 1.00 0.00 C ATOM 122 CG LEU A 12 5.652 -8.091 -4.385 1.00 0.00 C ATOM 123 CD1 LEU A 12 4.373 -7.278 -4.254 1.00 0.00 C ATOM 124 CD2 LEU A 12 6.869 -7.178 -4.385 1.00 0.00 C ATOM 0 H LEU A 12 5.311 -11.418 -4.296 1.00 0.00 H new ATOM 0 HA LEU A 12 7.705 -9.779 -3.866 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.778 -9.593 -3.138 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.966 -8.590 -2.329 1.00 0.00 H new ATOM 0 HG LEU A 12 5.624 -8.624 -5.335 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.319 -6.551 -5.065 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.512 -7.944 -4.306 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.371 -6.755 -3.298 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.780 -6.453 -5.194 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.930 -6.653 -3.432 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.771 -7.773 -4.529 1.00 0.00 H new ATOM 136 N GLY A 13 7.860 -10.065 -1.264 1.00 0.00 N ATOM 137 CA GLY A 13 8.247 -10.550 0.048 1.00 0.00 C ATOM 138 C GLY A 13 7.333 -10.043 1.146 1.00 0.00 C ATOM 139 O GLY A 13 6.488 -9.179 0.911 1.00 0.00 O ATOM 0 H GLY A 13 8.172 -9.118 -1.480 1.00 0.00 H new ATOM 0 HA2 GLY A 13 8.238 -11.640 0.046 1.00 0.00 H new ATOM 0 HA3 GLY A 13 9.270 -10.240 0.259 1.00 0.00 H new ATOM 143 N ASP A 14 7.501 -10.582 2.349 1.00 0.00 N ATOM 144 CA ASP A 14 6.684 -10.179 3.488 1.00 0.00 C ATOM 145 C ASP A 14 7.028 -8.760 3.929 1.00 0.00 C ATOM 146 O ASP A 14 6.143 -7.922 4.110 1.00 0.00 O ATOM 147 CB ASP A 14 6.881 -11.150 4.653 1.00 0.00 C ATOM 148 CG ASP A 14 6.044 -12.406 4.508 1.00 0.00 C ATOM 149 OD1 ASP A 14 4.801 -12.294 4.519 1.00 0.00 O ATOM 150 OD2 ASP A 14 6.632 -13.501 4.385 1.00 0.00 O ATOM 0 H ASP A 14 8.195 -11.299 2.560 1.00 0.00 H new ATOM 0 HA ASP A 14 5.639 -10.201 3.179 1.00 0.00 H new ATOM 0 HB2 ASP A 14 7.934 -11.424 4.719 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.622 -10.650 5.586 1.00 0.00 H new ATOM 155 N THR A 15 8.320 -8.495 4.101 1.00 0.00 N ATOM 156 CA THR A 15 8.781 -7.179 4.523 1.00 0.00 C ATOM 157 C THR A 15 8.449 -6.119 3.478 1.00 0.00 C ATOM 158 O THR A 15 7.935 -5.050 3.806 1.00 0.00 O ATOM 159 CB THR A 15 10.299 -7.171 4.780 1.00 0.00 C ATOM 160 OG1 THR A 15 10.634 -8.157 5.763 1.00 0.00 O ATOM 161 CG2 THR A 15 10.762 -5.801 5.251 1.00 0.00 C ATOM 0 H THR A 15 9.065 -9.176 3.954 1.00 0.00 H new ATOM 0 HA THR A 15 8.261 -6.945 5.452 1.00 0.00 H new ATOM 0 HB THR A 15 10.805 -7.405 3.843 1.00 0.00 H new ATOM 0 HG1 THR A 15 11.601 -8.147 5.920 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.838 -5.821 5.426 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.532 -5.057 4.488 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.249 -5.542 6.177 1.00 0.00 H new ATOM 169 N ALA A 16 8.745 -6.423 2.219 1.00 0.00 N ATOM 170 CA ALA A 16 8.475 -5.498 1.126 1.00 0.00 C ATOM 171 C ALA A 16 7.039 -4.986 1.181 1.00 0.00 C ATOM 172 O ALA A 16 6.801 -3.779 1.231 1.00 0.00 O ATOM 173 CB ALA A 16 8.747 -6.168 -0.213 1.00 0.00 C ATOM 0 H ALA A 16 9.172 -7.303 1.931 1.00 0.00 H new ATOM 0 HA ALA A 16 9.142 -4.643 1.234 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.541 -5.465 -1.020 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.791 -6.478 -0.259 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.104 -7.042 -0.320 1.00 0.00 H new ATOM 179 N LEU A 17 6.086 -5.912 1.171 1.00 0.00 N ATOM 180 CA LEU A 17 4.672 -5.554 1.220 1.00 0.00 C ATOM 181 C LEU A 17 4.381 -4.647 2.411 1.00 0.00 C ATOM 182 O LEU A 17 3.981 -3.496 2.242 1.00 0.00 O ATOM 183 CB LEU A 17 3.810 -6.815 1.301 1.00 0.00 C ATOM 184 CG LEU A 17 3.612 -7.578 -0.009 1.00 0.00 C ATOM 185 CD1 LEU A 17 3.249 -9.029 0.268 1.00 0.00 C ATOM 186 CD2 LEU A 17 2.540 -6.911 -0.858 1.00 0.00 C ATOM 0 H LEU A 17 6.266 -6.915 1.129 1.00 0.00 H new ATOM 0 HA LEU A 17 4.427 -5.012 0.307 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.259 -7.492 2.028 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.830 -6.537 1.688 1.00 0.00 H new ATOM 0 HG LEU A 17 4.550 -7.559 -0.564 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.112 -9.556 -0.676 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.050 -9.503 0.835 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.324 -9.069 0.844 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.413 -7.468 -1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.598 -6.898 -0.310 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.841 -5.888 -1.086 1.00 0.00 H new ATOM 198 N GLN A 18 4.586 -5.174 3.614 1.00 0.00 N ATOM 199 CA GLN A 18 4.346 -4.410 4.833 1.00 0.00 C ATOM 200 C GLN A 18 4.755 -2.953 4.651 1.00 0.00 C ATOM 201 O GLN A 18 4.008 -2.040 5.000 1.00 0.00 O ATOM 202 CB GLN A 18 5.113 -5.026 6.004 1.00 0.00 C ATOM 203 CG GLN A 18 4.460 -6.276 6.570 1.00 0.00 C ATOM 204 CD GLN A 18 4.892 -6.567 7.994 1.00 0.00 C ATOM 205 OE1 GLN A 18 6.078 -6.506 8.319 1.00 0.00 O ATOM 206 NE2 GLN A 18 3.929 -6.886 8.851 1.00 0.00 N ATOM 0 H GLN A 18 4.917 -6.126 3.771 1.00 0.00 H new ATOM 0 HA GLN A 18 3.278 -4.443 5.050 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.124 -5.271 5.677 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.206 -4.284 6.797 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.377 -6.161 6.540 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.708 -7.129 5.938 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.959 -6.924 8.537 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.159 -7.093 9.823 1.00 0.00 H new ATOM 215 N ASN A 19 5.948 -2.741 4.103 1.00 0.00 N ATOM 216 CA ASN A 19 6.457 -1.394 3.876 1.00 0.00 C ATOM 217 C ASN A 19 5.587 -0.646 2.869 1.00 0.00 C ATOM 218 O ASN A 19 5.010 0.395 3.184 1.00 0.00 O ATOM 219 CB ASN A 19 7.902 -1.449 3.377 1.00 0.00 C ATOM 220 CG ASN A 19 8.885 -1.764 4.487 1.00 0.00 C ATOM 221 OD1 ASN A 19 8.866 -1.135 5.546 1.00 0.00 O ATOM 222 ND2 ASN A 19 9.752 -2.742 4.250 1.00 0.00 N ATOM 0 H ASN A 19 6.580 -3.486 3.808 1.00 0.00 H new ATOM 0 HA ASN A 19 6.428 -0.857 4.824 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.985 -2.205 2.596 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.164 -0.493 2.924 1.00 0.00 H new ATOM 0 HD21 ASN A 19 10.438 -2.999 4.960 1.00 0.00 H new ATOM 0 HD22 ASN A 19 9.732 -3.237 3.358 1.00 0.00 H new ATOM 229 N LEU A 20 5.499 -1.185 1.658 1.00 0.00 N ATOM 230 CA LEU A 20 4.700 -0.570 0.604 1.00 0.00 C ATOM 231 C LEU A 20 3.350 -0.106 1.144 1.00 0.00 C ATOM 232 O LEU A 20 2.791 0.884 0.674 1.00 0.00 O ATOM 233 CB LEU A 20 4.490 -1.557 -0.546 1.00 0.00 C ATOM 234 CG LEU A 20 4.336 -0.943 -1.938 1.00 0.00 C ATOM 235 CD1 LEU A 20 3.024 -0.181 -2.043 1.00 0.00 C ATOM 236 CD2 LEU A 20 5.513 -0.030 -2.251 1.00 0.00 C ATOM 0 H LEU A 20 5.971 -2.046 1.382 1.00 0.00 H new ATOM 0 HA LEU A 20 5.241 0.301 0.233 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.335 -2.246 -0.566 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.601 -2.150 -0.332 1.00 0.00 H new ATOM 0 HG LEU A 20 4.323 -1.750 -2.671 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.932 0.249 -3.040 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.192 -0.862 -1.863 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.006 0.617 -1.301 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.387 0.398 -3.245 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.558 0.772 -1.514 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.438 -0.605 -2.218 1.00 0.00 H new ATOM 248 N GLU A 21 2.835 -0.828 2.135 1.00 0.00 N ATOM 249 CA GLU A 21 1.553 -0.489 2.739 1.00 0.00 C ATOM 250 C GLU A 21 1.592 0.908 3.352 1.00 0.00 C ATOM 251 O GLU A 21 0.737 1.746 3.067 1.00 0.00 O ATOM 252 CB GLU A 21 1.180 -1.517 3.809 1.00 0.00 C ATOM 253 CG GLU A 21 1.129 -2.944 3.291 1.00 0.00 C ATOM 254 CD GLU A 21 0.736 -3.019 1.828 1.00 0.00 C ATOM 255 OE1 GLU A 21 1.563 -2.642 0.971 1.00 0.00 O ATOM 256 OE2 GLU A 21 -0.398 -3.456 1.541 1.00 0.00 O ATOM 0 H GLU A 21 3.286 -1.650 2.536 1.00 0.00 H new ATOM 0 HA GLU A 21 0.797 -0.501 1.954 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.903 -1.461 4.623 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.208 -1.257 4.228 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.105 -3.411 3.426 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.417 -3.517 3.885 1.00 0.00 H new ATOM 263 N GLN A 22 2.591 1.150 4.195 1.00 0.00 N ATOM 264 CA GLN A 22 2.741 2.444 4.850 1.00 0.00 C ATOM 265 C GLN A 22 3.087 3.530 3.836 1.00 0.00 C ATOM 266 O GLN A 22 2.447 4.581 3.793 1.00 0.00 O ATOM 267 CB GLN A 22 3.825 2.372 5.927 1.00 0.00 C ATOM 268 CG GLN A 22 3.443 1.505 7.116 1.00 0.00 C ATOM 269 CD GLN A 22 2.151 1.949 7.772 1.00 0.00 C ATOM 270 OE1 GLN A 22 2.134 2.893 8.562 1.00 0.00 O ATOM 271 NE2 GLN A 22 1.057 1.270 7.445 1.00 0.00 N ATOM 0 H GLN A 22 3.308 0.467 4.440 1.00 0.00 H new ATOM 0 HA GLN A 22 1.790 2.698 5.318 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.741 1.983 5.483 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.044 3.380 6.278 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.343 0.470 6.789 1.00 0.00 H new ATOM 0 HG3 GLN A 22 4.247 1.530 7.852 1.00 0.00 H new ATOM 0 HE21 GLN A 22 1.116 0.494 6.786 1.00 0.00 H new ATOM 0 HE22 GLN A 22 0.158 1.525 7.853 1.00 0.00 H new ATOM 280 N LEU A 23 4.104 3.269 3.022 1.00 0.00 N ATOM 281 CA LEU A 23 4.537 4.224 2.007 1.00 0.00 C ATOM 282 C LEU A 23 3.337 4.861 1.313 1.00 0.00 C ATOM 283 O LEU A 23 3.417 5.988 0.821 1.00 0.00 O ATOM 284 CB LEU A 23 5.430 3.533 0.975 1.00 0.00 C ATOM 285 CG LEU A 23 6.927 3.517 1.286 1.00 0.00 C ATOM 286 CD1 LEU A 23 7.637 2.474 0.438 1.00 0.00 C ATOM 287 CD2 LEU A 23 7.533 4.895 1.060 1.00 0.00 C ATOM 0 H LEU A 23 4.644 2.404 3.045 1.00 0.00 H new ATOM 0 HA LEU A 23 5.107 5.010 2.502 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.092 2.503 0.863 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.285 4.023 0.012 1.00 0.00 H new ATOM 0 HG LEU A 23 7.058 3.252 2.335 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.701 2.477 0.673 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.222 1.489 0.650 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.498 2.707 -0.618 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.599 4.865 1.286 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.391 5.189 0.020 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.044 5.619 1.712 1.00 0.00 H new ATOM 299 N LEU A 24 2.226 4.135 1.278 1.00 0.00 N ATOM 300 CA LEU A 24 1.007 4.630 0.647 1.00 0.00 C ATOM 301 C LEU A 24 0.093 5.293 1.671 1.00 0.00 C ATOM 302 O LEU A 24 -0.647 6.222 1.349 1.00 0.00 O ATOM 303 CB LEU A 24 0.268 3.485 -0.048 1.00 0.00 C ATOM 304 CG LEU A 24 0.792 3.087 -1.428 1.00 0.00 C ATOM 305 CD1 LEU A 24 0.186 1.763 -1.868 1.00 0.00 C ATOM 306 CD2 LEU A 24 0.491 4.177 -2.447 1.00 0.00 C ATOM 0 H LEU A 24 2.143 3.201 1.679 1.00 0.00 H new ATOM 0 HA LEU A 24 1.290 5.376 -0.096 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.306 2.609 0.599 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.781 3.763 -0.146 1.00 0.00 H new ATOM 0 HG LEU A 24 1.873 2.965 -1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.571 1.496 -2.852 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.451 0.985 -1.152 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.899 1.857 -1.916 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.871 3.877 -3.424 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.586 4.330 -2.508 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.973 5.105 -2.140 1.00 0.00 H new ATOM 318 N ASP A 25 0.151 4.811 2.908 1.00 0.00 N ATOM 319 CA ASP A 25 -0.669 5.359 3.982 1.00 0.00 C ATOM 320 C ASP A 25 0.133 6.338 4.833 1.00 0.00 C ATOM 321 O ASP A 25 0.984 5.935 5.626 1.00 0.00 O ATOM 322 CB ASP A 25 -1.219 4.232 4.859 1.00 0.00 C ATOM 323 CG ASP A 25 -1.899 4.752 6.110 1.00 0.00 C ATOM 324 OD1 ASP A 25 -3.042 5.244 6.003 1.00 0.00 O ATOM 325 OD2 ASP A 25 -1.290 4.666 7.196 1.00 0.00 O ATOM 0 H ASP A 25 0.758 4.042 3.192 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.503 5.897 3.531 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.930 3.640 4.282 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -0.405 3.565 5.142 1.00 0.00 H new ATOM 330 N GLY A 26 -0.143 7.627 4.663 1.00 0.00 N ATOM 331 CA GLY A 26 0.563 8.644 5.421 1.00 0.00 C ATOM 332 C GLY A 26 0.549 9.994 4.733 1.00 0.00 C ATOM 333 O GLY A 26 0.303 10.100 3.531 1.00 0.00 O ATOM 0 H GLY A 26 -0.843 7.986 4.014 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.109 8.738 6.408 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.595 8.328 5.574 1.00 0.00 H new ATOM 337 N PRO A 27 0.816 11.058 5.505 1.00 0.00 N ATOM 338 CA PRO A 27 0.838 12.428 4.984 1.00 0.00 C ATOM 339 C PRO A 27 2.025 12.678 4.059 1.00 0.00 C ATOM 340 O PRO A 27 1.864 13.201 2.957 1.00 0.00 O ATOM 341 CB PRO A 27 0.955 13.286 6.246 1.00 0.00 C ATOM 342 CG PRO A 27 1.603 12.396 7.250 1.00 0.00 C ATOM 343 CD PRO A 27 1.118 11.006 6.945 1.00 0.00 C ATOM 0 HA PRO A 27 -0.043 12.649 4.382 1.00 0.00 H new ATOM 0 HB2 PRO A 27 1.553 14.179 6.064 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.024 13.622 6.588 1.00 0.00 H new ATOM 0 HG2 PRO A 27 2.689 12.454 7.180 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.333 12.690 8.264 1.00 0.00 H new ATOM 0 HD2 PRO A 27 1.878 10.257 7.169 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.236 10.751 7.532 1.00 0.00 H new ATOM 351 N GLU A 28 3.215 12.299 4.515 1.00 0.00 N ATOM 352 CA GLU A 28 4.428 12.483 3.727 1.00 0.00 C ATOM 353 C GLU A 28 4.312 11.779 2.378 1.00 0.00 C ATOM 354 O GLU A 28 4.912 12.204 1.391 1.00 0.00 O ATOM 355 CB GLU A 28 5.643 11.952 4.490 1.00 0.00 C ATOM 356 CG GLU A 28 6.946 12.638 4.113 1.00 0.00 C ATOM 357 CD GLU A 28 7.069 14.025 4.712 1.00 0.00 C ATOM 358 OE1 GLU A 28 6.086 14.792 4.641 1.00 0.00 O ATOM 359 OE2 GLU A 28 8.148 14.343 5.254 1.00 0.00 O ATOM 0 H GLU A 28 3.365 11.863 5.425 1.00 0.00 H new ATOM 0 HA GLU A 28 4.558 13.551 3.550 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.473 12.077 5.559 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.739 10.882 4.305 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.784 12.026 4.447 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.015 12.708 3.027 1.00 0.00 H new ATOM 366 N ALA A 29 3.537 10.700 2.345 1.00 0.00 N ATOM 367 CA ALA A 29 3.341 9.937 1.118 1.00 0.00 C ATOM 368 C ALA A 29 2.972 10.853 -0.044 1.00 0.00 C ATOM 369 O ALA A 29 1.816 11.251 -0.188 1.00 0.00 O ATOM 370 CB ALA A 29 2.268 8.878 1.321 1.00 0.00 C ATOM 0 H ALA A 29 3.035 10.334 3.154 1.00 0.00 H new ATOM 0 HA ALA A 29 4.281 9.443 0.872 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.132 8.316 0.397 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.573 8.199 2.117 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.329 9.359 1.594 1.00 0.00 H new ATOM 376 N GLN A 30 3.960 11.183 -0.869 1.00 0.00 N ATOM 377 CA GLN A 30 3.737 12.053 -2.018 1.00 0.00 C ATOM 378 C GLN A 30 2.500 11.620 -2.797 1.00 0.00 C ATOM 379 O GLN A 30 1.846 12.435 -3.446 1.00 0.00 O ATOM 380 CB GLN A 30 4.961 12.045 -2.935 1.00 0.00 C ATOM 381 CG GLN A 30 4.657 12.482 -4.359 1.00 0.00 C ATOM 382 CD GLN A 30 5.894 12.523 -5.234 1.00 0.00 C ATOM 383 OE1 GLN A 30 6.364 13.596 -5.615 1.00 0.00 O ATOM 384 NE2 GLN A 30 6.430 11.352 -5.557 1.00 0.00 N ATOM 0 H GLN A 30 4.922 10.861 -0.764 1.00 0.00 H new ATOM 0 HA GLN A 30 3.575 13.066 -1.649 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.722 12.703 -2.517 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.384 11.040 -2.954 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.929 11.799 -4.797 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.196 13.470 -4.341 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.008 10.487 -5.219 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.264 11.317 -6.143 1.00 0.00 H new ATOM 393 N GLY A 31 2.184 10.330 -2.728 1.00 0.00 N ATOM 394 CA GLY A 31 1.027 9.810 -3.432 1.00 0.00 C ATOM 395 C GLY A 31 -0.022 9.252 -2.490 1.00 0.00 C ATOM 396 O GLY A 31 -0.275 9.818 -1.427 1.00 0.00 O ATOM 0 H GLY A 31 2.709 9.636 -2.197 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.585 10.604 -4.034 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.346 9.027 -4.121 1.00 0.00 H new ATOM 400 N SER A 32 -0.635 8.140 -2.883 1.00 0.00 N ATOM 401 CA SER A 32 -1.667 7.508 -2.068 1.00 0.00 C ATOM 402 C SER A 32 -2.066 6.156 -2.651 1.00 0.00 C ATOM 403 O SER A 32 -1.612 5.774 -3.729 1.00 0.00 O ATOM 404 CB SER A 32 -2.894 8.416 -1.968 1.00 0.00 C ATOM 405 OG SER A 32 -3.813 7.926 -1.007 1.00 0.00 O ATOM 0 H SER A 32 -0.436 7.658 -3.760 1.00 0.00 H new ATOM 0 HA SER A 32 -1.261 7.348 -1.069 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.583 9.425 -1.697 1.00 0.00 H new ATOM 0 HB3 SER A 32 -3.381 8.483 -2.941 1.00 0.00 H new ATOM 0 HG SER A 32 -4.588 8.524 -0.960 1.00 0.00 H new ATOM 411 N TRP A 33 -2.919 5.437 -1.930 1.00 0.00 N ATOM 412 CA TRP A 33 -3.381 4.127 -2.375 1.00 0.00 C ATOM 413 C TRP A 33 -4.671 4.248 -3.178 1.00 0.00 C ATOM 414 O TRP A 33 -4.869 3.537 -4.163 1.00 0.00 O ATOM 415 CB TRP A 33 -3.598 3.205 -1.173 1.00 0.00 C ATOM 416 CG TRP A 33 -4.597 3.736 -0.190 1.00 0.00 C ATOM 417 CD1 TRP A 33 -4.329 4.386 0.981 1.00 0.00 C ATOM 418 CD2 TRP A 33 -6.023 3.661 -0.292 1.00 0.00 C ATOM 419 NE1 TRP A 33 -5.502 4.719 1.613 1.00 0.00 N ATOM 420 CE2 TRP A 33 -6.556 4.286 0.852 1.00 0.00 C ATOM 421 CE3 TRP A 33 -6.901 3.128 -1.239 1.00 0.00 C ATOM 422 CZ2 TRP A 33 -7.927 4.391 1.073 1.00 0.00 C ATOM 423 CZ3 TRP A 33 -8.262 3.232 -1.019 1.00 0.00 C ATOM 424 CH2 TRP A 33 -8.764 3.860 0.129 1.00 0.00 C ATOM 0 H TRP A 33 -3.305 5.739 -1.035 1.00 0.00 H new ATOM 0 HA TRP A 33 -2.614 3.698 -3.019 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -3.931 2.230 -1.528 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -2.646 3.051 -0.665 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -3.340 4.606 1.355 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -5.576 5.209 2.504 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -6.523 2.643 -2.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -8.316 4.874 1.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -8.950 2.822 -1.744 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -9.832 3.926 0.272 1.00 0.00 H new ATOM 435 N ALA A 34 -5.546 5.153 -2.751 1.00 0.00 N ATOM 436 CA ALA A 34 -6.816 5.368 -3.433 1.00 0.00 C ATOM 437 C ALA A 34 -6.603 5.647 -4.917 1.00 0.00 C ATOM 438 O ALA A 34 -6.977 4.842 -5.769 1.00 0.00 O ATOM 439 CB ALA A 34 -7.577 6.514 -2.783 1.00 0.00 C ATOM 0 H ALA A 34 -5.398 5.749 -1.936 1.00 0.00 H new ATOM 0 HA ALA A 34 -7.407 4.456 -3.343 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -8.523 6.663 -3.303 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -7.771 6.275 -1.737 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.983 7.426 -2.843 1.00 0.00 H new ATOM 445 N GLU A 35 -6.000 6.793 -5.218 1.00 0.00 N ATOM 446 CA GLU A 35 -5.738 7.177 -6.600 1.00 0.00 C ATOM 447 C GLU A 35 -5.051 6.046 -7.359 1.00 0.00 C ATOM 448 O GLU A 35 -5.394 5.754 -8.506 1.00 0.00 O ATOM 449 CB GLU A 35 -4.872 8.438 -6.647 1.00 0.00 C ATOM 450 CG GLU A 35 -4.424 8.816 -8.049 1.00 0.00 C ATOM 451 CD GLU A 35 -4.100 10.292 -8.179 1.00 0.00 C ATOM 452 OE1 GLU A 35 -4.726 11.102 -7.462 1.00 0.00 O ATOM 453 OE2 GLU A 35 -3.223 10.638 -8.997 1.00 0.00 O ATOM 0 H GLU A 35 -5.684 7.471 -4.524 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.695 7.384 -7.080 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.431 9.269 -6.217 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.992 8.288 -6.021 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.545 8.230 -8.316 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.208 8.556 -8.760 1.00 0.00 H new ATOM 460 N LEU A 36 -4.079 5.413 -6.712 1.00 0.00 N ATOM 461 CA LEU A 36 -3.342 4.313 -7.325 1.00 0.00 C ATOM 462 C LEU A 36 -4.291 3.211 -7.787 1.00 0.00 C ATOM 463 O LEU A 36 -4.264 2.801 -8.946 1.00 0.00 O ATOM 464 CB LEU A 36 -2.323 3.743 -6.337 1.00 0.00 C ATOM 465 CG LEU A 36 -1.848 2.315 -6.612 1.00 0.00 C ATOM 466 CD1 LEU A 36 -1.081 2.251 -7.923 1.00 0.00 C ATOM 467 CD2 LEU A 36 -0.987 1.809 -5.463 1.00 0.00 C ATOM 0 H LEU A 36 -3.783 5.642 -5.763 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.816 4.702 -8.197 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.452 4.398 -6.325 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.759 3.774 -5.338 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.723 1.671 -6.695 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.751 1.228 -8.102 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.728 2.571 -8.739 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.213 2.908 -7.869 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.658 0.792 -5.675 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.117 2.455 -5.348 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.569 1.817 -4.541 1.00 0.00 H new ATOM 479 N ALA A 37 -5.131 2.739 -6.871 1.00 0.00 N ATOM 480 CA ALA A 37 -6.092 1.689 -7.185 1.00 0.00 C ATOM 481 C ALA A 37 -6.777 1.954 -8.521 1.00 0.00 C ATOM 482 O ALA A 37 -6.808 1.088 -9.395 1.00 0.00 O ATOM 483 CB ALA A 37 -7.124 1.569 -6.074 1.00 0.00 C ATOM 0 H ALA A 37 -5.165 3.067 -5.906 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.550 0.746 -7.265 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.835 0.781 -6.322 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.623 1.324 -5.137 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.654 2.515 -5.966 1.00 0.00 H new ATOM 489 N GLU A 38 -7.327 3.155 -8.671 1.00 0.00 N ATOM 490 CA GLU A 38 -8.014 3.531 -9.901 1.00 0.00 C ATOM 491 C GLU A 38 -7.163 3.199 -11.123 1.00 0.00 C ATOM 492 O GLU A 38 -7.582 2.439 -11.996 1.00 0.00 O ATOM 493 CB GLU A 38 -8.347 5.025 -9.889 1.00 0.00 C ATOM 494 CG GLU A 38 -9.150 5.460 -8.674 1.00 0.00 C ATOM 495 CD GLU A 38 -9.744 6.846 -8.833 1.00 0.00 C ATOM 496 OE1 GLU A 38 -8.986 7.780 -9.171 1.00 0.00 O ATOM 497 OE2 GLU A 38 -10.964 6.997 -8.618 1.00 0.00 O ATOM 0 H GLU A 38 -7.310 3.883 -7.957 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.940 2.960 -9.959 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.419 5.596 -9.924 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.907 5.271 -10.791 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.952 4.743 -8.498 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.508 5.443 -7.794 1.00 0.00 H new ATOM 504 N ARG A 39 -5.966 3.774 -11.178 1.00 0.00 N ATOM 505 CA ARG A 39 -5.057 3.541 -12.293 1.00 0.00 C ATOM 506 C ARG A 39 -5.010 2.060 -12.656 1.00 0.00 C ATOM 507 O ARG A 39 -4.924 1.700 -13.831 1.00 0.00 O ATOM 508 CB ARG A 39 -3.652 4.036 -11.945 1.00 0.00 C ATOM 509 CG ARG A 39 -3.534 5.550 -11.894 1.00 0.00 C ATOM 510 CD ARG A 39 -2.117 6.010 -12.200 1.00 0.00 C ATOM 511 NE ARG A 39 -2.088 7.357 -12.763 1.00 0.00 N ATOM 512 CZ ARG A 39 -2.464 7.643 -14.005 1.00 0.00 C ATOM 513 NH1 ARG A 39 -2.896 6.680 -14.808 1.00 0.00 N ATOM 514 NH2 ARG A 39 -2.409 8.893 -14.445 1.00 0.00 N ATOM 0 H ARG A 39 -5.603 4.405 -10.463 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.428 4.097 -13.154 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.360 3.625 -10.979 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.947 3.650 -12.682 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.224 5.994 -12.611 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.828 5.906 -10.906 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.523 5.986 -11.286 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.653 5.315 -12.900 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.761 8.120 -12.170 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.940 5.718 -14.473 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.184 6.902 -15.761 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.078 9.636 -13.830 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.698 9.111 -15.399 1.00 0.00 H new ATOM 528 N LEU A 40 -5.068 1.205 -11.641 1.00 0.00 N ATOM 529 CA LEU A 40 -5.032 -0.238 -11.852 1.00 0.00 C ATOM 530 C LEU A 40 -6.371 -0.744 -12.380 1.00 0.00 C ATOM 531 O LEU A 40 -6.425 -1.713 -13.136 1.00 0.00 O ATOM 532 CB LEU A 40 -4.680 -0.956 -10.548 1.00 0.00 C ATOM 533 CG LEU A 40 -3.315 -0.623 -9.946 1.00 0.00 C ATOM 534 CD1 LEU A 40 -3.182 -1.229 -8.558 1.00 0.00 C ATOM 535 CD2 LEU A 40 -2.197 -1.114 -10.854 1.00 0.00 C ATOM 0 H LEU A 40 -5.140 1.486 -10.663 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.264 -0.453 -12.595 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.447 -0.723 -9.810 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.724 -2.031 -10.725 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.233 0.460 -9.856 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.204 -0.982 -8.145 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.961 -0.828 -7.910 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.285 -2.312 -8.623 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.233 -0.868 -10.409 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.275 -2.194 -10.976 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.281 -0.632 -11.828 1.00 0.00 H new ATOM 547 N GLY A 41 -7.450 -0.080 -11.976 1.00 0.00 N ATOM 548 CA GLY A 41 -8.774 -0.476 -12.420 1.00 0.00 C ATOM 549 C GLY A 41 -9.655 -0.935 -11.275 1.00 0.00 C ATOM 550 O GLY A 41 -10.678 -1.585 -11.492 1.00 0.00 O ATOM 0 H GLY A 41 -7.431 0.725 -11.349 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.250 0.363 -12.927 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.684 -1.280 -13.150 1.00 0.00 H new ATOM 554 N LEU A 42 -9.259 -0.597 -10.053 1.00 0.00 N ATOM 555 CA LEU A 42 -10.020 -0.980 -8.869 1.00 0.00 C ATOM 556 C LEU A 42 -10.589 0.249 -8.167 1.00 0.00 C ATOM 557 O LEU A 42 -10.543 0.352 -6.941 1.00 0.00 O ATOM 558 CB LEU A 42 -9.134 -1.769 -7.903 1.00 0.00 C ATOM 559 CG LEU A 42 -8.234 -2.832 -8.534 1.00 0.00 C ATOM 560 CD1 LEU A 42 -6.984 -3.040 -7.692 1.00 0.00 C ATOM 561 CD2 LEU A 42 -8.991 -4.141 -8.701 1.00 0.00 C ATOM 0 H LEU A 42 -8.415 -0.059 -9.856 1.00 0.00 H new ATOM 0 HA LEU A 42 -10.850 -1.610 -9.188 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.504 -1.064 -7.361 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.775 -2.255 -7.167 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.929 -2.484 -9.521 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.355 -3.800 -8.156 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.431 -2.103 -7.624 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.269 -3.366 -6.692 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.335 -4.886 -9.151 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.326 -4.495 -7.726 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.855 -3.982 -9.346 1.00 0.00 H new ATOM 573 N ARG A 43 -11.126 1.177 -8.952 1.00 0.00 N ATOM 574 CA ARG A 43 -11.705 2.398 -8.405 1.00 0.00 C ATOM 575 C ARG A 43 -13.082 2.127 -7.807 1.00 0.00 C ATOM 576 O ARG A 43 -13.510 2.806 -6.874 1.00 0.00 O ATOM 577 CB ARG A 43 -11.812 3.469 -9.493 1.00 0.00 C ATOM 578 CG ARG A 43 -12.960 3.240 -10.462 1.00 0.00 C ATOM 579 CD ARG A 43 -12.778 4.042 -11.741 1.00 0.00 C ATOM 580 NE ARG A 43 -13.691 3.606 -12.795 1.00 0.00 N ATOM 581 CZ ARG A 43 -14.954 4.008 -12.886 1.00 0.00 C ATOM 582 NH1 ARG A 43 -15.451 4.851 -11.991 1.00 0.00 N ATOM 583 NH2 ARG A 43 -15.722 3.567 -13.874 1.00 0.00 N ATOM 0 H ARG A 43 -11.172 1.107 -9.969 1.00 0.00 H new ATOM 0 HA ARG A 43 -11.048 2.758 -7.613 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -11.935 4.444 -9.021 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.877 3.502 -10.052 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -13.028 2.179 -10.703 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -13.900 3.520 -9.987 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -12.943 5.099 -11.533 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.750 3.942 -12.088 1.00 0.00 H new ATOM 0 HE ARG A 43 -13.340 2.958 -13.500 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -14.863 5.192 -11.230 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -16.421 5.158 -12.063 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -15.343 2.919 -14.564 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -16.692 3.876 -13.943 1.00 0.00 H new ATOM 597 N SER A 44 -13.772 1.129 -8.351 1.00 0.00 N ATOM 598 CA SER A 44 -15.102 0.770 -7.874 1.00 0.00 C ATOM 599 C SER A 44 -15.017 -0.021 -6.572 1.00 0.00 C ATOM 600 O SER A 44 -16.022 -0.221 -5.887 1.00 0.00 O ATOM 601 CB SER A 44 -15.843 -0.048 -8.934 1.00 0.00 C ATOM 602 OG SER A 44 -16.287 0.777 -9.996 1.00 0.00 O ATOM 0 H SER A 44 -13.432 0.555 -9.122 1.00 0.00 H new ATOM 0 HA SER A 44 -15.654 1.690 -7.684 1.00 0.00 H new ATOM 0 HB2 SER A 44 -15.185 -0.825 -9.324 1.00 0.00 H new ATOM 0 HB3 SER A 44 -16.696 -0.551 -8.479 1.00 0.00 H new ATOM 0 HG SER A 44 -16.756 0.230 -10.661 1.00 0.00 H new ATOM 608 N LEU A 45 -13.813 -0.468 -6.236 1.00 0.00 N ATOM 609 CA LEU A 45 -13.595 -1.238 -5.016 1.00 0.00 C ATOM 610 C LEU A 45 -12.930 -0.381 -3.943 1.00 0.00 C ATOM 611 O LEU A 45 -12.696 -0.839 -2.825 1.00 0.00 O ATOM 612 CB LEU A 45 -12.731 -2.466 -5.312 1.00 0.00 C ATOM 613 CG LEU A 45 -13.452 -3.657 -5.944 1.00 0.00 C ATOM 614 CD1 LEU A 45 -12.551 -4.882 -5.953 1.00 0.00 C ATOM 615 CD2 LEU A 45 -14.748 -3.951 -5.203 1.00 0.00 C ATOM 0 H LEU A 45 -12.972 -0.311 -6.791 1.00 0.00 H new ATOM 0 HA LEU A 45 -14.566 -1.565 -4.644 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -11.920 -2.164 -5.975 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -12.273 -2.797 -4.380 1.00 0.00 H new ATOM 0 HG LEU A 45 -13.697 -3.404 -6.975 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -13.081 -5.720 -6.406 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -11.651 -4.667 -6.529 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -12.275 -5.138 -4.930 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -15.247 -4.802 -5.667 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -14.527 -4.184 -4.161 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -15.400 -3.078 -5.249 1.00 0.00 H new ATOM 627 N VAL A 46 -12.631 0.867 -4.291 1.00 0.00 N ATOM 628 CA VAL A 46 -11.997 1.789 -3.357 1.00 0.00 C ATOM 629 C VAL A 46 -12.852 1.982 -2.109 1.00 0.00 C ATOM 630 O VAL A 46 -12.379 2.492 -1.093 1.00 0.00 O ATOM 631 CB VAL A 46 -11.744 3.162 -4.009 1.00 0.00 C ATOM 632 CG1 VAL A 46 -11.270 4.167 -2.970 1.00 0.00 C ATOM 633 CG2 VAL A 46 -10.734 3.036 -5.139 1.00 0.00 C ATOM 0 H VAL A 46 -12.818 1.262 -5.213 1.00 0.00 H new ATOM 0 HA VAL A 46 -11.042 1.347 -3.075 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.682 3.524 -4.429 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -11.096 5.131 -3.449 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -12.031 4.277 -2.197 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -10.343 3.814 -2.519 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -10.567 4.015 -5.589 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.793 2.652 -4.745 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -11.117 2.350 -5.895 1.00 0.00 H new ATOM 643 N ASP A 47 -14.112 1.570 -2.193 1.00 0.00 N ATOM 644 CA ASP A 47 -15.034 1.695 -1.069 1.00 0.00 C ATOM 645 C ASP A 47 -14.975 0.459 -0.178 1.00 0.00 C ATOM 646 O ASP A 47 -15.489 0.461 0.941 1.00 0.00 O ATOM 647 CB ASP A 47 -16.461 1.908 -1.575 1.00 0.00 C ATOM 648 CG ASP A 47 -16.734 3.351 -1.951 1.00 0.00 C ATOM 649 OD1 ASP A 47 -16.039 3.872 -2.848 1.00 0.00 O ATOM 650 OD2 ASP A 47 -17.642 3.960 -1.347 1.00 0.00 O ATOM 0 H ASP A 47 -14.519 1.147 -3.027 1.00 0.00 H new ATOM 0 HA ASP A 47 -14.734 2.560 -0.478 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.634 1.271 -2.442 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.167 1.597 -0.805 1.00 0.00 H new ATOM 655 N THR A 48 -14.346 -0.599 -0.682 1.00 0.00 N ATOM 656 CA THR A 48 -14.222 -1.843 0.067 1.00 0.00 C ATOM 657 C THR A 48 -13.024 -1.801 1.009 1.00 0.00 C ATOM 658 O THR A 48 -13.045 -2.404 2.082 1.00 0.00 O ATOM 659 CB THR A 48 -14.079 -3.053 -0.875 1.00 0.00 C ATOM 660 OG1 THR A 48 -14.570 -4.235 -0.232 1.00 0.00 O ATOM 661 CG2 THR A 48 -12.626 -3.256 -1.278 1.00 0.00 C ATOM 0 H THR A 48 -13.915 -0.618 -1.606 1.00 0.00 H new ATOM 0 HA THR A 48 -15.135 -1.953 0.651 1.00 0.00 H new ATOM 0 HB THR A 48 -14.665 -2.858 -1.773 1.00 0.00 H new ATOM 0 HG1 THR A 48 -14.477 -5.000 -0.838 1.00 0.00 H new ATOM 0 HG21 THR A 48 -12.550 -4.116 -1.943 1.00 0.00 H new ATOM 0 HG22 THR A 48 -12.263 -2.366 -1.792 1.00 0.00 H new ATOM 0 HG23 THR A 48 -12.023 -3.431 -0.387 1.00 0.00 H new ATOM 669 N TYR A 49 -11.982 -1.086 0.601 1.00 0.00 N ATOM 670 CA TYR A 49 -10.774 -0.967 1.408 1.00 0.00 C ATOM 671 C TYR A 49 -11.010 -0.059 2.611 1.00 0.00 C ATOM 672 O TYR A 49 -10.699 -0.422 3.746 1.00 0.00 O ATOM 673 CB TYR A 49 -9.622 -0.422 0.562 1.00 0.00 C ATOM 674 CG TYR A 49 -9.462 -1.123 -0.768 1.00 0.00 C ATOM 675 CD1 TYR A 49 -9.783 -2.468 -0.909 1.00 0.00 C ATOM 676 CD2 TYR A 49 -8.991 -0.442 -1.883 1.00 0.00 C ATOM 677 CE1 TYR A 49 -9.638 -3.113 -2.122 1.00 0.00 C ATOM 678 CE2 TYR A 49 -8.844 -1.078 -3.100 1.00 0.00 C ATOM 679 CZ TYR A 49 -9.169 -2.414 -3.215 1.00 0.00 C ATOM 680 OH TYR A 49 -9.024 -3.052 -4.425 1.00 0.00 O ATOM 0 H TYR A 49 -11.950 -0.580 -0.284 1.00 0.00 H new ATOM 0 HA TYR A 49 -10.511 -1.960 1.771 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.784 0.641 0.385 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.694 -0.514 1.126 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -10.152 -3.018 -0.056 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -8.735 0.604 -1.797 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -9.890 -4.159 -2.214 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.477 -0.533 -3.957 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.684 -2.418 -5.091 1.00 0.00 H new ATOM 690 N ARG A 50 -11.562 1.122 2.354 1.00 0.00 N ATOM 691 CA ARG A 50 -11.840 2.083 3.415 1.00 0.00 C ATOM 692 C ARG A 50 -12.724 1.462 4.492 1.00 0.00 C ATOM 693 O ARG A 50 -12.793 1.961 5.615 1.00 0.00 O ATOM 694 CB ARG A 50 -12.516 3.328 2.840 1.00 0.00 C ATOM 695 CG ARG A 50 -13.923 3.073 2.323 1.00 0.00 C ATOM 696 CD ARG A 50 -14.756 4.345 2.327 1.00 0.00 C ATOM 697 NE ARG A 50 -14.836 4.943 3.657 1.00 0.00 N ATOM 698 CZ ARG A 50 -15.363 6.140 3.894 1.00 0.00 C ATOM 699 NH1 ARG A 50 -15.853 6.862 2.896 1.00 0.00 N ATOM 700 NH2 ARG A 50 -15.399 6.616 5.132 1.00 0.00 N ATOM 0 H ARG A 50 -11.826 1.437 1.420 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.892 2.370 3.869 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.555 4.098 3.610 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -11.905 3.720 2.027 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.873 2.673 1.310 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -14.408 2.317 2.941 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.323 5.064 1.632 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -15.761 4.121 1.969 1.00 0.00 H new ATOM 0 HE ARG A 50 -14.467 4.413 4.447 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -15.826 6.499 1.943 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -16.257 7.780 3.081 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -15.022 6.063 5.902 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -15.803 7.535 5.314 1.00 0.00 H new ATOM 714 N GLN A 51 -13.399 0.372 4.142 1.00 0.00 N ATOM 715 CA GLN A 51 -14.280 -0.315 5.079 1.00 0.00 C ATOM 716 C GLN A 51 -13.473 -1.093 6.113 1.00 0.00 C ATOM 717 O GLN A 51 -13.803 -1.096 7.300 1.00 0.00 O ATOM 718 CB GLN A 51 -15.218 -1.262 4.328 1.00 0.00 C ATOM 719 CG GLN A 51 -16.524 -0.613 3.901 1.00 0.00 C ATOM 720 CD GLN A 51 -17.413 -1.553 3.111 1.00 0.00 C ATOM 721 OE1 GLN A 51 -17.701 -2.667 3.550 1.00 0.00 O ATOM 722 NE2 GLN A 51 -17.853 -1.109 1.940 1.00 0.00 N ATOM 0 H GLN A 51 -13.353 -0.054 3.217 1.00 0.00 H new ATOM 0 HA GLN A 51 -14.874 0.436 5.599 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -14.705 -1.643 3.445 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -15.439 -2.120 4.963 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -17.061 -0.269 4.785 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -16.307 0.268 3.298 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -17.589 -0.179 1.615 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -18.455 -1.698 1.365 1.00 0.00 H new ATOM 731 N THR A 52 -12.414 -1.754 5.656 1.00 0.00 N ATOM 732 CA THR A 52 -11.561 -2.537 6.541 1.00 0.00 C ATOM 733 C THR A 52 -10.579 -1.644 7.290 1.00 0.00 C ATOM 734 O THR A 52 -10.524 -0.435 7.063 1.00 0.00 O ATOM 735 CB THR A 52 -10.773 -3.606 5.761 1.00 0.00 C ATOM 736 OG1 THR A 52 -10.033 -4.429 6.669 1.00 0.00 O ATOM 737 CG2 THR A 52 -9.822 -2.959 4.765 1.00 0.00 C ATOM 0 H THR A 52 -12.127 -1.762 4.677 1.00 0.00 H new ATOM 0 HA THR A 52 -12.218 -3.031 7.257 1.00 0.00 H new ATOM 0 HB THR A 52 -11.485 -4.221 5.212 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.536 -5.107 6.165 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.277 -3.734 4.226 1.00 0.00 H new ATOM 0 HG22 THR A 52 -10.391 -2.357 4.057 1.00 0.00 H new ATOM 0 HG23 THR A 52 -9.116 -2.322 5.297 1.00 0.00 H new ATOM 745 N THR A 53 -9.802 -2.247 8.185 1.00 0.00 N ATOM 746 CA THR A 53 -8.821 -1.506 8.968 1.00 0.00 C ATOM 747 C THR A 53 -7.465 -1.484 8.273 1.00 0.00 C ATOM 748 O THR A 53 -6.679 -0.554 8.455 1.00 0.00 O ATOM 749 CB THR A 53 -8.654 -2.110 10.376 1.00 0.00 C ATOM 750 OG1 THR A 53 -9.935 -2.272 10.994 1.00 0.00 O ATOM 751 CG2 THR A 53 -7.775 -1.223 11.244 1.00 0.00 C ATOM 0 H THR A 53 -9.833 -3.247 8.385 1.00 0.00 H new ATOM 0 HA THR A 53 -9.195 -0.486 9.060 1.00 0.00 H new ATOM 0 HB THR A 53 -8.174 -3.083 10.276 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.821 -2.658 11.888 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.671 -1.670 12.233 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.791 -1.125 10.785 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.232 -0.238 11.337 1.00 0.00 H new ATOM 759 N SER A 54 -7.198 -2.512 7.475 1.00 0.00 N ATOM 760 CA SER A 54 -5.934 -2.612 6.754 1.00 0.00 C ATOM 761 C SER A 54 -6.172 -2.691 5.249 1.00 0.00 C ATOM 762 O SER A 54 -6.051 -3.748 4.630 1.00 0.00 O ATOM 763 CB SER A 54 -5.151 -3.840 7.223 1.00 0.00 C ATOM 764 OG SER A 54 -4.553 -3.611 8.487 1.00 0.00 O ATOM 0 H SER A 54 -7.840 -3.288 7.311 1.00 0.00 H new ATOM 0 HA SER A 54 -5.351 -1.716 6.966 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.818 -4.700 7.283 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.381 -4.085 6.492 1.00 0.00 H new ATOM 0 HG SER A 54 -4.060 -4.411 8.765 1.00 0.00 H new ATOM 770 N PRO A 55 -6.520 -1.545 4.645 1.00 0.00 N ATOM 771 CA PRO A 55 -6.783 -1.456 3.205 1.00 0.00 C ATOM 772 C PRO A 55 -5.515 -1.624 2.374 1.00 0.00 C ATOM 773 O PRO A 55 -5.554 -2.162 1.267 1.00 0.00 O ATOM 774 CB PRO A 55 -7.351 -0.046 3.035 1.00 0.00 C ATOM 775 CG PRO A 55 -6.798 0.727 4.181 1.00 0.00 C ATOM 776 CD PRO A 55 -6.684 -0.247 5.321 1.00 0.00 C ATOM 0 HA PRO A 55 -7.454 -2.244 2.863 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.050 0.389 2.082 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.441 -0.054 3.052 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -5.826 1.152 3.932 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.452 1.559 4.442 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.833 -0.017 5.962 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -7.572 -0.232 5.953 1.00 0.00 H new ATOM 784 N SER A 56 -4.393 -1.161 2.914 1.00 0.00 N ATOM 785 CA SER A 56 -3.114 -1.257 2.220 1.00 0.00 C ATOM 786 C SER A 56 -2.881 -2.674 1.705 1.00 0.00 C ATOM 787 O SER A 56 -2.603 -2.880 0.524 1.00 0.00 O ATOM 788 CB SER A 56 -1.972 -0.846 3.152 1.00 0.00 C ATOM 789 OG SER A 56 -2.066 0.525 3.500 1.00 0.00 O ATOM 0 H SER A 56 -4.343 -0.715 3.830 1.00 0.00 H new ATOM 0 HA SER A 56 -3.139 -0.579 1.367 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.998 -1.456 4.055 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.015 -1.036 2.666 1.00 0.00 H new ATOM 0 HG SER A 56 -1.197 0.958 3.363 1.00 0.00 H new ATOM 795 N GLY A 57 -2.995 -3.649 2.602 1.00 0.00 N ATOM 796 CA GLY A 57 -2.793 -5.035 2.221 1.00 0.00 C ATOM 797 C GLY A 57 -3.779 -5.495 1.166 1.00 0.00 C ATOM 798 O GLY A 57 -3.385 -6.022 0.125 1.00 0.00 O ATOM 0 H GLY A 57 -3.224 -3.504 3.585 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.778 -5.161 1.845 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.887 -5.669 3.103 1.00 0.00 H new ATOM 802 N SER A 58 -5.066 -5.299 1.435 1.00 0.00 N ATOM 803 CA SER A 58 -6.112 -5.703 0.503 1.00 0.00 C ATOM 804 C SER A 58 -5.878 -5.091 -0.875 1.00 0.00 C ATOM 805 O SER A 58 -6.090 -5.741 -1.900 1.00 0.00 O ATOM 806 CB SER A 58 -7.485 -5.285 1.032 1.00 0.00 C ATOM 807 OG SER A 58 -7.808 -5.985 2.222 1.00 0.00 O ATOM 0 H SER A 58 -5.409 -4.863 2.291 1.00 0.00 H new ATOM 0 HA SER A 58 -6.081 -6.789 0.410 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.493 -4.212 1.224 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.245 -5.479 0.275 1.00 0.00 H new ATOM 0 HG SER A 58 -8.689 -5.699 2.541 1.00 0.00 H new ATOM 813 N LEU A 59 -5.441 -3.837 -0.892 1.00 0.00 N ATOM 814 CA LEU A 59 -5.177 -3.135 -2.143 1.00 0.00 C ATOM 815 C LEU A 59 -4.332 -3.992 -3.080 1.00 0.00 C ATOM 816 O LEU A 59 -4.745 -4.300 -4.199 1.00 0.00 O ATOM 817 CB LEU A 59 -4.468 -1.808 -1.867 1.00 0.00 C ATOM 818 CG LEU A 59 -3.959 -1.051 -3.094 1.00 0.00 C ATOM 819 CD1 LEU A 59 -5.116 -0.671 -4.005 1.00 0.00 C ATOM 820 CD2 LEU A 59 -3.181 0.187 -2.673 1.00 0.00 C ATOM 0 H LEU A 59 -5.262 -3.285 -0.053 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.133 -2.934 -2.627 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.154 -1.159 -1.323 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.622 -2.001 -1.207 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.287 -1.707 -3.648 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.734 -0.133 -4.873 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.631 -1.573 -4.335 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.813 -0.034 -3.461 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.827 0.713 -3.560 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.830 0.846 -2.096 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.328 -0.109 -2.062 1.00 0.00 H new ATOM 832 N LEU A 60 -3.147 -4.374 -2.617 1.00 0.00 N ATOM 833 CA LEU A 60 -2.244 -5.198 -3.412 1.00 0.00 C ATOM 834 C LEU A 60 -2.765 -6.627 -3.523 1.00 0.00 C ATOM 835 O LEU A 60 -2.736 -7.227 -4.598 1.00 0.00 O ATOM 836 CB LEU A 60 -0.845 -5.199 -2.793 1.00 0.00 C ATOM 837 CG LEU A 60 -0.195 -3.829 -2.600 1.00 0.00 C ATOM 838 CD1 LEU A 60 0.763 -3.854 -1.419 1.00 0.00 C ATOM 839 CD2 LEU A 60 0.530 -3.399 -3.868 1.00 0.00 C ATOM 0 H LEU A 60 -2.789 -4.126 -1.695 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.191 -4.772 -4.414 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.899 -5.693 -1.823 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.192 -5.803 -3.422 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.980 -3.102 -2.390 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.216 -2.870 -1.297 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.217 -4.117 -0.513 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.544 -4.593 -1.599 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.987 -2.422 -3.712 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.304 -4.127 -4.109 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.181 -3.340 -4.692 1.00 0.00 H new ATOM 851 N ARG A 61 -3.242 -7.165 -2.406 1.00 0.00 N ATOM 852 CA ARG A 61 -3.771 -8.524 -2.378 1.00 0.00 C ATOM 853 C ARG A 61 -4.858 -8.706 -3.433 1.00 0.00 C ATOM 854 O ARG A 61 -5.130 -9.823 -3.872 1.00 0.00 O ATOM 855 CB ARG A 61 -4.332 -8.847 -0.992 1.00 0.00 C ATOM 856 CG ARG A 61 -3.307 -9.446 -0.044 1.00 0.00 C ATOM 857 CD ARG A 61 -3.966 -10.323 1.009 1.00 0.00 C ATOM 858 NE ARG A 61 -3.062 -10.623 2.116 1.00 0.00 N ATOM 859 CZ ARG A 61 -3.477 -10.950 3.335 1.00 0.00 C ATOM 860 NH1 ARG A 61 -4.773 -11.020 3.602 1.00 0.00 N ATOM 861 NH2 ARG A 61 -2.592 -11.209 4.290 1.00 0.00 N ATOM 0 H ARG A 61 -3.273 -6.681 -1.508 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.954 -9.210 -2.601 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.733 -7.935 -0.550 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.165 -9.542 -1.099 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.587 -10.036 -0.611 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.750 -8.646 0.444 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.855 -9.823 1.393 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.298 -11.254 0.549 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.058 -10.579 1.944 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.456 -10.823 2.870 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.088 -11.271 4.539 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.594 -11.157 4.088 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.910 -11.460 5.226 1.00 0.00 H new ATOM 875 N SER A 62 -5.476 -7.600 -3.836 1.00 0.00 N ATOM 876 CA SER A 62 -6.536 -7.638 -4.836 1.00 0.00 C ATOM 877 C SER A 62 -5.982 -7.340 -6.226 1.00 0.00 C ATOM 878 O SER A 62 -6.454 -7.886 -7.225 1.00 0.00 O ATOM 879 CB SER A 62 -7.634 -6.631 -4.486 1.00 0.00 C ATOM 880 OG SER A 62 -8.866 -6.991 -5.086 1.00 0.00 O ATOM 0 H SER A 62 -5.261 -6.667 -3.485 1.00 0.00 H new ATOM 0 HA SER A 62 -6.961 -8.642 -4.840 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.754 -6.581 -3.404 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.340 -5.636 -4.821 1.00 0.00 H new ATOM 0 HG SER A 62 -9.551 -6.333 -4.846 1.00 0.00 H new ATOM 886 N TYR A 63 -4.979 -6.471 -6.283 1.00 0.00 N ATOM 887 CA TYR A 63 -4.362 -6.098 -7.549 1.00 0.00 C ATOM 888 C TYR A 63 -3.876 -7.332 -8.303 1.00 0.00 C ATOM 889 O TYR A 63 -3.841 -7.347 -9.533 1.00 0.00 O ATOM 890 CB TYR A 63 -3.193 -5.141 -7.309 1.00 0.00 C ATOM 891 CG TYR A 63 -2.310 -4.946 -8.521 1.00 0.00 C ATOM 892 CD1 TYR A 63 -2.787 -4.299 -9.654 1.00 0.00 C ATOM 893 CD2 TYR A 63 -1.001 -5.409 -8.533 1.00 0.00 C ATOM 894 CE1 TYR A 63 -1.985 -4.119 -10.764 1.00 0.00 C ATOM 895 CE2 TYR A 63 -0.191 -5.232 -9.638 1.00 0.00 C ATOM 896 CZ TYR A 63 -0.687 -4.587 -10.751 1.00 0.00 C ATOM 897 OH TYR A 63 0.116 -4.410 -11.855 1.00 0.00 O ATOM 0 H TYR A 63 -4.576 -6.012 -5.466 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.115 -5.596 -8.156 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.585 -4.173 -6.996 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.587 -5.520 -6.486 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.802 -3.931 -9.667 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -0.609 -5.916 -7.664 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -2.372 -3.615 -11.637 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.825 -5.597 -9.630 1.00 0.00 H new ATOM 0 HH TYR A 63 1.051 -4.573 -11.609 1.00 0.00 H new ATOM 907 N GLU A 64 -3.502 -8.366 -7.555 1.00 0.00 N ATOM 908 CA GLU A 64 -3.018 -9.605 -8.152 1.00 0.00 C ATOM 909 C GLU A 64 -4.183 -10.498 -8.571 1.00 0.00 C ATOM 910 O GLU A 64 -4.151 -11.122 -9.632 1.00 0.00 O ATOM 911 CB GLU A 64 -2.115 -10.352 -7.169 1.00 0.00 C ATOM 912 CG GLU A 64 -2.873 -11.266 -6.221 1.00 0.00 C ATOM 913 CD GLU A 64 -1.996 -11.808 -5.108 1.00 0.00 C ATOM 914 OE1 GLU A 64 -1.122 -11.060 -4.624 1.00 0.00 O ATOM 915 OE2 GLU A 64 -2.186 -12.980 -4.722 1.00 0.00 O ATOM 0 H GLU A 64 -3.525 -8.370 -6.535 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.441 -9.349 -9.041 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.392 -10.944 -7.730 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.549 -9.626 -6.585 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.709 -10.719 -5.786 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.295 -12.098 -6.784 1.00 0.00 H new ATOM 922 N LEU A 65 -5.208 -10.556 -7.728 1.00 0.00 N ATOM 923 CA LEU A 65 -6.384 -11.373 -8.009 1.00 0.00 C ATOM 924 C LEU A 65 -6.978 -11.024 -9.370 1.00 0.00 C ATOM 925 O LEU A 65 -7.521 -11.885 -10.061 1.00 0.00 O ATOM 926 CB LEU A 65 -7.436 -11.180 -6.916 1.00 0.00 C ATOM 927 CG LEU A 65 -7.075 -11.724 -5.533 1.00 0.00 C ATOM 928 CD1 LEU A 65 -8.114 -11.302 -4.506 1.00 0.00 C ATOM 929 CD2 LEU A 65 -6.948 -13.240 -5.573 1.00 0.00 C ATOM 0 H LEU A 65 -5.249 -10.047 -6.845 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.074 -12.418 -8.026 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.642 -10.114 -6.822 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -8.361 -11.656 -7.242 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.112 -11.306 -5.239 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.841 -11.698 -3.528 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.157 -10.214 -4.458 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.090 -11.691 -4.795 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.691 -13.610 -4.580 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.896 -13.676 -5.888 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.166 -13.521 -6.279 1.00 0.00 H new ATOM 941 N ALA A 66 -6.869 -9.755 -9.749 1.00 0.00 N ATOM 942 CA ALA A 66 -7.391 -9.292 -11.029 1.00 0.00 C ATOM 943 C ALA A 66 -6.550 -9.819 -12.187 1.00 0.00 C ATOM 944 O ALA A 66 -7.058 -10.041 -13.285 1.00 0.00 O ATOM 945 CB ALA A 66 -7.443 -7.772 -11.060 1.00 0.00 C ATOM 0 H ALA A 66 -6.424 -9.029 -9.188 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.403 -9.681 -11.143 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.835 -7.441 -12.022 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -8.092 -7.414 -10.261 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -6.439 -7.371 -10.919 1.00 0.00 H new ATOM 951 N GLY A 67 -5.260 -10.015 -11.935 1.00 0.00 N ATOM 952 CA GLY A 67 -4.369 -10.513 -12.967 1.00 0.00 C ATOM 953 C GLY A 67 -3.266 -9.530 -13.304 1.00 0.00 C ATOM 954 O GLY A 67 -2.796 -9.478 -14.440 1.00 0.00 O ATOM 0 H GLY A 67 -4.815 -9.838 -11.034 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.926 -11.453 -12.638 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.945 -10.730 -13.866 1.00 0.00 H new ATOM 958 N GLY A 68 -2.851 -8.745 -12.314 1.00 0.00 N ATOM 959 CA GLY A 68 -1.801 -7.767 -12.532 1.00 0.00 C ATOM 960 C GLY A 68 -0.433 -8.289 -12.141 1.00 0.00 C ATOM 961 O GLY A 68 -0.311 -9.393 -11.610 1.00 0.00 O ATOM 0 H GLY A 68 -3.223 -8.769 -11.365 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.790 -7.479 -13.583 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.021 -6.868 -11.957 1.00 0.00 H new ATOM 965 N ASP A 69 0.599 -7.496 -12.405 1.00 0.00 N ATOM 966 CA ASP A 69 1.966 -7.884 -12.078 1.00 0.00 C ATOM 967 C ASP A 69 2.738 -6.709 -11.487 1.00 0.00 C ATOM 968 O ASP A 69 2.271 -5.569 -11.513 1.00 0.00 O ATOM 969 CB ASP A 69 2.683 -8.407 -13.324 1.00 0.00 C ATOM 970 CG ASP A 69 2.526 -7.480 -14.513 1.00 0.00 C ATOM 971 OD1 ASP A 69 3.048 -6.347 -14.456 1.00 0.00 O ATOM 972 OD2 ASP A 69 1.882 -7.888 -15.502 1.00 0.00 O ATOM 0 H ASP A 69 0.515 -6.580 -12.845 1.00 0.00 H new ATOM 0 HA ASP A 69 1.923 -8.679 -11.333 1.00 0.00 H new ATOM 0 HB2 ASP A 69 3.743 -8.534 -13.103 1.00 0.00 H new ATOM 0 HB3 ASP A 69 2.290 -9.391 -13.580 1.00 0.00 H new ATOM 977 N LEU A 70 3.921 -6.993 -10.954 1.00 0.00 N ATOM 978 CA LEU A 70 4.759 -5.960 -10.355 1.00 0.00 C ATOM 979 C LEU A 70 4.872 -4.749 -11.276 1.00 0.00 C ATOM 980 O LEU A 70 4.484 -3.640 -10.909 1.00 0.00 O ATOM 981 CB LEU A 70 6.151 -6.516 -10.052 1.00 0.00 C ATOM 982 CG LEU A 70 6.950 -5.777 -8.978 1.00 0.00 C ATOM 983 CD1 LEU A 70 6.243 -5.859 -7.635 1.00 0.00 C ATOM 984 CD2 LEU A 70 8.359 -6.344 -8.877 1.00 0.00 C ATOM 0 H LEU A 70 4.322 -7.930 -10.924 1.00 0.00 H new ATOM 0 HA LEU A 70 4.291 -5.643 -9.423 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.046 -7.557 -9.746 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.731 -6.512 -10.975 1.00 0.00 H new ATOM 0 HG LEU A 70 7.022 -4.728 -9.264 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.827 -5.327 -6.883 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.255 -5.405 -7.715 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.139 -6.904 -7.342 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.913 -5.806 -8.108 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.308 -7.401 -8.615 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.866 -6.231 -9.835 1.00 0.00 H new ATOM 996 N ALA A 71 5.403 -4.970 -12.473 1.00 0.00 N ATOM 997 CA ALA A 71 5.563 -3.898 -13.448 1.00 0.00 C ATOM 998 C ALA A 71 4.340 -2.987 -13.467 1.00 0.00 C ATOM 999 O ALA A 71 4.420 -1.818 -13.092 1.00 0.00 O ATOM 1000 CB ALA A 71 5.813 -4.477 -14.833 1.00 0.00 C ATOM 0 H ALA A 71 5.730 -5.882 -12.792 1.00 0.00 H new ATOM 0 HA ALA A 71 6.426 -3.300 -13.155 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.931 -3.665 -15.551 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.720 -5.081 -14.817 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.968 -5.100 -15.125 1.00 0.00 H new ATOM 1006 N GLY A 72 3.210 -3.530 -13.908 1.00 0.00 N ATOM 1007 CA GLY A 72 1.987 -2.751 -13.968 1.00 0.00 C ATOM 1008 C GLY A 72 1.815 -1.847 -12.764 1.00 0.00 C ATOM 1009 O GLY A 72 1.351 -0.713 -12.890 1.00 0.00 O ATOM 0 H GLY A 72 3.119 -4.495 -14.225 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.989 -2.146 -14.875 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.133 -3.425 -14.037 1.00 0.00 H new ATOM 1013 N LEU A 73 2.188 -2.349 -11.592 1.00 0.00 N ATOM 1014 CA LEU A 73 2.072 -1.579 -10.358 1.00 0.00 C ATOM 1015 C LEU A 73 3.138 -0.490 -10.293 1.00 0.00 C ATOM 1016 O LEU A 73 2.852 0.653 -9.933 1.00 0.00 O ATOM 1017 CB LEU A 73 2.195 -2.502 -9.144 1.00 0.00 C ATOM 1018 CG LEU A 73 1.904 -1.866 -7.785 1.00 0.00 C ATOM 1019 CD1 LEU A 73 0.419 -1.575 -7.638 1.00 0.00 C ATOM 1020 CD2 LEU A 73 2.387 -2.769 -6.659 1.00 0.00 C ATOM 0 H LEU A 73 2.573 -3.286 -11.470 1.00 0.00 H new ATOM 0 HA LEU A 73 1.092 -1.103 -10.347 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.516 -3.343 -9.282 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.206 -2.909 -9.123 1.00 0.00 H new ATOM 0 HG LEU A 73 2.445 -0.922 -7.724 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.232 -1.123 -6.664 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.103 -0.889 -8.424 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.144 -2.505 -7.720 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.172 -2.300 -5.699 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.874 -3.729 -6.717 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.462 -2.925 -6.753 1.00 0.00 H new ATOM 1032 N LEU A 74 4.367 -0.850 -10.645 1.00 0.00 N ATOM 1033 CA LEU A 74 5.476 0.097 -10.630 1.00 0.00 C ATOM 1034 C LEU A 74 5.170 1.308 -11.506 1.00 0.00 C ATOM 1035 O LEU A 74 5.567 2.429 -11.190 1.00 0.00 O ATOM 1036 CB LEU A 74 6.760 -0.583 -11.109 1.00 0.00 C ATOM 1037 CG LEU A 74 7.417 -1.548 -10.122 1.00 0.00 C ATOM 1038 CD1 LEU A 74 8.352 -2.501 -10.850 1.00 0.00 C ATOM 1039 CD2 LEU A 74 8.168 -0.780 -9.045 1.00 0.00 C ATOM 0 H LEU A 74 4.621 -1.791 -10.944 1.00 0.00 H new ATOM 0 HA LEU A 74 5.615 0.440 -9.605 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.538 -1.128 -12.026 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.483 0.191 -11.365 1.00 0.00 H new ATOM 0 HG LEU A 74 6.634 -2.135 -9.642 1.00 0.00 H new ATOM 0 HD11 LEU A 74 8.811 -3.180 -10.132 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.787 -3.076 -11.583 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.130 -1.931 -11.358 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.629 -1.483 -8.351 1.00 0.00 H new ATOM 0 HD22 LEU A 74 8.941 -0.167 -9.508 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.472 -0.139 -8.503 1.00 0.00 H new ATOM 1051 N GLU A 75 4.462 1.073 -12.606 1.00 0.00 N ATOM 1052 CA GLU A 75 4.102 2.145 -13.526 1.00 0.00 C ATOM 1053 C GLU A 75 3.184 3.159 -12.848 1.00 0.00 C ATOM 1054 O GLU A 75 3.510 4.342 -12.755 1.00 0.00 O ATOM 1055 CB GLU A 75 3.418 1.572 -14.769 1.00 0.00 C ATOM 1056 CG GLU A 75 3.661 2.388 -16.028 1.00 0.00 C ATOM 1057 CD GLU A 75 2.928 1.833 -17.233 1.00 0.00 C ATOM 1058 OE1 GLU A 75 3.499 0.963 -17.925 1.00 0.00 O ATOM 1059 OE2 GLU A 75 1.785 2.267 -17.486 1.00 0.00 O ATOM 0 H GLU A 75 4.126 0.150 -12.882 1.00 0.00 H new ATOM 0 HA GLU A 75 5.018 2.654 -13.826 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.772 0.554 -14.932 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.345 1.511 -14.587 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.344 3.417 -15.857 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.730 2.415 -16.238 1.00 0.00 H new ATOM 1066 N ALA A 76 2.035 2.685 -12.378 1.00 0.00 N ATOM 1067 CA ALA A 76 1.071 3.549 -11.708 1.00 0.00 C ATOM 1068 C ALA A 76 1.750 4.416 -10.653 1.00 0.00 C ATOM 1069 O ALA A 76 1.547 5.630 -10.608 1.00 0.00 O ATOM 1070 CB ALA A 76 -0.035 2.715 -11.076 1.00 0.00 C ATOM 0 H ALA A 76 1.749 1.708 -12.449 1.00 0.00 H new ATOM 0 HA ALA A 76 0.632 4.210 -12.456 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.748 3.373 -10.579 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.547 2.143 -11.850 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.397 2.031 -10.346 1.00 0.00 H new ATOM 1076 N LEU A 77 2.555 3.785 -9.805 1.00 0.00 N ATOM 1077 CA LEU A 77 3.264 4.500 -8.749 1.00 0.00 C ATOM 1078 C LEU A 77 4.155 5.591 -9.333 1.00 0.00 C ATOM 1079 O LEU A 77 4.213 6.705 -8.812 1.00 0.00 O ATOM 1080 CB LEU A 77 4.106 3.525 -7.924 1.00 0.00 C ATOM 1081 CG LEU A 77 3.355 2.344 -7.308 1.00 0.00 C ATOM 1082 CD1 LEU A 77 4.334 1.310 -6.773 1.00 0.00 C ATOM 1083 CD2 LEU A 77 2.425 2.822 -6.203 1.00 0.00 C ATOM 0 H LEU A 77 2.733 2.781 -9.828 1.00 0.00 H new ATOM 0 HA LEU A 77 2.524 4.970 -8.102 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.899 3.133 -8.560 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.588 4.082 -7.121 1.00 0.00 H new ATOM 0 HG LEU A 77 2.752 1.875 -8.086 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.782 0.477 -6.338 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.959 0.945 -7.588 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.963 1.766 -6.009 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.899 1.968 -5.776 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.008 3.315 -5.425 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.701 3.525 -6.615 1.00 0.00 H new ATOM 1095 N SER A 78 4.847 5.264 -10.420 1.00 0.00 N ATOM 1096 CA SER A 78 5.737 6.216 -11.075 1.00 0.00 C ATOM 1097 C SER A 78 4.955 7.412 -11.609 1.00 0.00 C ATOM 1098 O SER A 78 5.367 8.560 -11.446 1.00 0.00 O ATOM 1099 CB SER A 78 6.494 5.536 -12.217 1.00 0.00 C ATOM 1100 OG SER A 78 7.686 6.237 -12.528 1.00 0.00 O ATOM 0 H SER A 78 4.808 4.347 -10.866 1.00 0.00 H new ATOM 0 HA SER A 78 6.454 6.574 -10.336 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.734 4.510 -11.938 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.857 5.485 -13.100 1.00 0.00 H new ATOM 0 HG SER A 78 8.152 5.781 -13.260 1.00 0.00 H new ATOM 1106 N ASP A 79 3.824 7.133 -12.248 1.00 0.00 N ATOM 1107 CA ASP A 79 2.982 8.185 -12.806 1.00 0.00 C ATOM 1108 C ASP A 79 2.509 9.139 -11.714 1.00 0.00 C ATOM 1109 O ASP A 79 2.319 10.331 -11.957 1.00 0.00 O ATOM 1110 CB ASP A 79 1.777 7.576 -13.525 1.00 0.00 C ATOM 1111 CG ASP A 79 1.192 8.509 -14.567 1.00 0.00 C ATOM 1112 OD1 ASP A 79 0.872 9.663 -14.216 1.00 0.00 O ATOM 1113 OD2 ASP A 79 1.054 8.084 -15.734 1.00 0.00 O ATOM 0 H ASP A 79 3.469 6.188 -12.392 1.00 0.00 H new ATOM 0 HA ASP A 79 3.577 8.749 -13.524 1.00 0.00 H new ATOM 0 HB2 ASP A 79 2.076 6.644 -14.004 1.00 0.00 H new ATOM 0 HB3 ASP A 79 1.009 7.326 -12.793 1.00 0.00 H new ATOM 1118 N MET A 80 2.320 8.607 -10.511 1.00 0.00 N ATOM 1119 CA MET A 80 1.870 9.412 -9.382 1.00 0.00 C ATOM 1120 C MET A 80 3.044 10.124 -8.718 1.00 0.00 C ATOM 1121 O MET A 80 2.862 11.104 -7.997 1.00 0.00 O ATOM 1122 CB MET A 80 1.146 8.534 -8.359 1.00 0.00 C ATOM 1123 CG MET A 80 -0.135 7.913 -8.890 1.00 0.00 C ATOM 1124 SD MET A 80 -0.986 6.912 -7.654 1.00 0.00 S ATOM 1125 CE MET A 80 -0.776 7.927 -6.193 1.00 0.00 C ATOM 0 H MET A 80 2.471 7.622 -10.293 1.00 0.00 H new ATOM 0 HA MET A 80 1.178 10.165 -9.759 1.00 0.00 H new ATOM 0 HB2 MET A 80 1.818 7.739 -8.034 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.912 9.133 -7.479 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.802 8.704 -9.234 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.098 7.293 -9.756 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.422 7.557 -5.397 1.00 0.00 H new ATOM 0 HE2 MET A 80 0.263 7.884 -5.867 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.041 8.958 -6.425 1.00 0.00 H new ATOM 1135 N GLY A 81 4.251 9.623 -8.966 1.00 0.00 N ATOM 1136 CA GLY A 81 5.437 10.223 -8.385 1.00 0.00 C ATOM 1137 C GLY A 81 6.077 9.340 -7.331 1.00 0.00 C ATOM 1138 O GLY A 81 7.269 9.465 -7.046 1.00 0.00 O ATOM 0 H GLY A 81 4.428 8.812 -9.559 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.162 10.425 -9.174 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.174 11.183 -7.940 1.00 0.00 H new ATOM 1142 N LEU A 82 5.285 8.447 -6.750 1.00 0.00 N ATOM 1143 CA LEU A 82 5.780 7.540 -5.720 1.00 0.00 C ATOM 1144 C LEU A 82 7.044 6.824 -6.187 1.00 0.00 C ATOM 1145 O LEU A 82 6.974 5.806 -6.873 1.00 0.00 O ATOM 1146 CB LEU A 82 4.705 6.514 -5.356 1.00 0.00 C ATOM 1147 CG LEU A 82 3.349 7.084 -4.936 1.00 0.00 C ATOM 1148 CD1 LEU A 82 2.244 6.071 -5.189 1.00 0.00 C ATOM 1149 CD2 LEU A 82 3.374 7.494 -3.471 1.00 0.00 C ATOM 0 H LEU A 82 4.297 8.331 -6.974 1.00 0.00 H new ATOM 0 HA LEU A 82 6.024 8.131 -4.837 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.552 5.858 -6.213 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.083 5.893 -4.544 1.00 0.00 H new ATOM 0 HG LEU A 82 3.146 7.970 -5.537 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.286 6.493 -4.884 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.211 5.826 -6.251 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.441 5.166 -4.614 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.401 7.897 -3.189 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.599 6.624 -2.854 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.140 8.255 -3.319 1.00 0.00 H new ATOM 1161 N GLU A 83 8.198 7.364 -5.808 1.00 0.00 N ATOM 1162 CA GLU A 83 9.477 6.776 -6.187 1.00 0.00 C ATOM 1163 C GLU A 83 9.878 5.672 -5.213 1.00 0.00 C ATOM 1164 O GLU A 83 10.335 4.606 -5.622 1.00 0.00 O ATOM 1165 CB GLU A 83 10.565 7.851 -6.232 1.00 0.00 C ATOM 1166 CG GLU A 83 10.392 8.845 -7.369 1.00 0.00 C ATOM 1167 CD GLU A 83 11.529 9.844 -7.448 1.00 0.00 C ATOM 1168 OE1 GLU A 83 12.698 9.427 -7.304 1.00 0.00 O ATOM 1169 OE2 GLU A 83 11.251 11.044 -7.654 1.00 0.00 O ATOM 0 H GLU A 83 8.273 8.207 -5.239 1.00 0.00 H new ATOM 0 HA GLU A 83 9.367 6.339 -7.180 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.569 8.392 -5.286 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.537 7.368 -6.328 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.323 8.304 -8.313 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.451 9.380 -7.239 1.00 0.00 H new ATOM 1176 N GLU A 84 9.703 5.937 -3.922 1.00 0.00 N ATOM 1177 CA GLU A 84 10.048 4.967 -2.890 1.00 0.00 C ATOM 1178 C GLU A 84 9.509 3.583 -3.242 1.00 0.00 C ATOM 1179 O GLU A 84 10.273 2.661 -3.523 1.00 0.00 O ATOM 1180 CB GLU A 84 9.494 5.412 -1.534 1.00 0.00 C ATOM 1181 CG GLU A 84 10.432 6.327 -0.765 1.00 0.00 C ATOM 1182 CD GLU A 84 11.620 5.587 -0.181 1.00 0.00 C ATOM 1183 OE1 GLU A 84 11.496 4.372 0.074 1.00 0.00 O ATOM 1184 OE2 GLU A 84 12.675 6.225 0.019 1.00 0.00 O ATOM 0 H GLU A 84 9.325 6.815 -3.566 1.00 0.00 H new ATOM 0 HA GLU A 84 11.135 4.911 -2.830 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.545 5.926 -1.689 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.284 4.530 -0.929 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.790 7.115 -1.428 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.880 6.813 0.040 1.00 0.00 H new ATOM 1191 N GLY A 85 8.187 3.447 -3.224 1.00 0.00 N ATOM 1192 CA GLY A 85 7.568 2.174 -3.543 1.00 0.00 C ATOM 1193 C GLY A 85 8.212 1.498 -4.737 1.00 0.00 C ATOM 1194 O GLY A 85 8.484 0.298 -4.709 1.00 0.00 O ATOM 0 H GLY A 85 7.533 4.196 -2.994 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.634 1.515 -2.677 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.508 2.330 -3.746 1.00 0.00 H new ATOM 1198 N VAL A 86 8.457 2.270 -5.791 1.00 0.00 N ATOM 1199 CA VAL A 86 9.073 1.739 -7.001 1.00 0.00 C ATOM 1200 C VAL A 86 10.394 1.046 -6.686 1.00 0.00 C ATOM 1201 O VAL A 86 10.545 -0.155 -6.911 1.00 0.00 O ATOM 1202 CB VAL A 86 9.324 2.851 -8.037 1.00 0.00 C ATOM 1203 CG1 VAL A 86 10.122 2.313 -9.215 1.00 0.00 C ATOM 1204 CG2 VAL A 86 8.006 3.449 -8.505 1.00 0.00 C ATOM 0 H VAL A 86 8.238 3.265 -5.831 1.00 0.00 H new ATOM 0 HA VAL A 86 8.376 1.013 -7.419 1.00 0.00 H new ATOM 0 HB VAL A 86 9.908 3.640 -7.563 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.290 3.113 -9.937 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.082 1.935 -8.862 1.00 0.00 H new ATOM 0 HG13 VAL A 86 9.567 1.505 -9.692 1.00 0.00 H new ATOM 0 HG21 VAL A 86 8.202 4.233 -9.237 1.00 0.00 H new ATOM 0 HG22 VAL A 86 7.395 2.670 -8.962 1.00 0.00 H new ATOM 0 HG23 VAL A 86 7.475 3.873 -7.652 1.00 0.00 H new ATOM 1214 N ARG A 87 11.348 1.810 -6.164 1.00 0.00 N ATOM 1215 CA ARG A 87 12.657 1.270 -5.819 1.00 0.00 C ATOM 1216 C ARG A 87 12.524 0.105 -4.842 1.00 0.00 C ATOM 1217 O ARG A 87 12.974 -1.007 -5.120 1.00 0.00 O ATOM 1218 CB ARG A 87 13.539 2.361 -5.210 1.00 0.00 C ATOM 1219 CG ARG A 87 13.776 3.541 -6.139 1.00 0.00 C ATOM 1220 CD ARG A 87 15.031 4.310 -5.754 1.00 0.00 C ATOM 1221 NE ARG A 87 16.224 3.469 -5.800 1.00 0.00 N ATOM 1222 CZ ARG A 87 17.398 3.831 -5.296 1.00 0.00 C ATOM 1223 NH1 ARG A 87 17.535 5.012 -4.708 1.00 0.00 N ATOM 1224 NH2 ARG A 87 18.438 3.011 -5.377 1.00 0.00 N ATOM 0 H ARG A 87 11.238 2.806 -5.971 1.00 0.00 H new ATOM 0 HA ARG A 87 13.123 0.904 -6.734 1.00 0.00 H new ATOM 0 HB2 ARG A 87 13.076 2.720 -4.291 1.00 0.00 H new ATOM 0 HB3 ARG A 87 14.500 1.928 -4.934 1.00 0.00 H new ATOM 0 HG2 ARG A 87 13.867 3.185 -7.165 1.00 0.00 H new ATOM 0 HG3 ARG A 87 12.915 4.209 -6.108 1.00 0.00 H new ATOM 0 HD2 ARG A 87 15.158 5.157 -6.428 1.00 0.00 H new ATOM 0 HD3 ARG A 87 14.913 4.717 -4.750 1.00 0.00 H new ATOM 0 HE ARG A 87 16.152 2.553 -6.244 1.00 0.00 H new ATOM 0 HH11 ARG A 87 16.737 5.644 -4.642 1.00 0.00 H new ATOM 0 HH12 ARG A 87 18.438 5.288 -4.322 1.00 0.00 H new ATOM 0 HH21 ARG A 87 18.336 2.101 -5.827 1.00 0.00 H new ATOM 0 HH22 ARG A 87 19.339 3.290 -4.989 1.00 0.00 H new ATOM 1238 N LEU A 88 11.903 0.368 -3.697 1.00 0.00 N ATOM 1239 CA LEU A 88 11.711 -0.658 -2.678 1.00 0.00 C ATOM 1240 C LEU A 88 11.353 -1.997 -3.314 1.00 0.00 C ATOM 1241 O LEU A 88 12.060 -2.990 -3.137 1.00 0.00 O ATOM 1242 CB LEU A 88 10.612 -0.235 -1.701 1.00 0.00 C ATOM 1243 CG LEU A 88 10.675 -0.861 -0.308 1.00 0.00 C ATOM 1244 CD1 LEU A 88 9.572 -0.303 0.578 1.00 0.00 C ATOM 1245 CD2 LEU A 88 10.573 -2.377 -0.400 1.00 0.00 C ATOM 0 H LEU A 88 11.524 1.283 -3.451 1.00 0.00 H new ATOM 0 HA LEU A 88 12.648 -0.774 -2.134 1.00 0.00 H new ATOM 0 HB2 LEU A 88 10.648 0.849 -1.592 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.646 -0.479 -2.144 1.00 0.00 H new ATOM 0 HG LEU A 88 11.636 -0.608 0.141 1.00 0.00 H new ATOM 0 HD11 LEU A 88 9.632 -0.760 1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 88 9.690 0.777 0.670 1.00 0.00 H new ATOM 0 HD13 LEU A 88 8.602 -0.525 0.134 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.620 -2.806 0.601 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.627 -2.650 -0.868 1.00 0.00 H new ATOM 0 HD23 LEU A 88 11.399 -2.762 -0.998 1.00 0.00 H new ATOM 1257 N LEU A 89 10.252 -2.018 -4.058 1.00 0.00 N ATOM 1258 CA LEU A 89 9.800 -3.235 -4.723 1.00 0.00 C ATOM 1259 C LEU A 89 10.900 -3.811 -5.608 1.00 0.00 C ATOM 1260 O LEU A 89 11.150 -5.017 -5.599 1.00 0.00 O ATOM 1261 CB LEU A 89 8.553 -2.949 -5.561 1.00 0.00 C ATOM 1262 CG LEU A 89 7.284 -2.606 -4.781 1.00 0.00 C ATOM 1263 CD1 LEU A 89 6.228 -2.023 -5.707 1.00 0.00 C ATOM 1264 CD2 LEU A 89 6.747 -3.838 -4.067 1.00 0.00 C ATOM 0 H LEU A 89 9.656 -1.206 -4.216 1.00 0.00 H new ATOM 0 HA LEU A 89 9.554 -3.969 -3.956 1.00 0.00 H new ATOM 0 HB2 LEU A 89 8.775 -2.122 -6.236 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.349 -3.821 -6.182 1.00 0.00 H new ATOM 0 HG LEU A 89 7.534 -1.856 -4.031 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.332 -1.785 -5.133 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.613 -1.115 -6.172 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.981 -2.750 -6.481 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.844 -3.575 -3.517 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.514 -4.610 -4.800 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.499 -4.212 -3.372 1.00 0.00 H new ATOM 1276 N ARG A 90 11.556 -2.942 -6.370 1.00 0.00 N ATOM 1277 CA ARG A 90 12.631 -3.365 -7.260 1.00 0.00 C ATOM 1278 C ARG A 90 13.770 -4.004 -6.472 1.00 0.00 C ATOM 1279 O ARG A 90 14.407 -4.948 -6.936 1.00 0.00 O ATOM 1280 CB ARG A 90 13.156 -2.173 -8.062 1.00 0.00 C ATOM 1281 CG ARG A 90 12.259 -1.776 -9.223 1.00 0.00 C ATOM 1282 CD ARG A 90 13.042 -1.064 -10.314 1.00 0.00 C ATOM 1283 NE ARG A 90 12.319 -1.045 -11.583 1.00 0.00 N ATOM 1284 CZ ARG A 90 12.809 -0.521 -12.701 1.00 0.00 C ATOM 1285 NH1 ARG A 90 14.018 0.024 -12.707 1.00 0.00 N ATOM 1286 NH2 ARG A 90 12.091 -0.542 -13.816 1.00 0.00 N ATOM 0 H ARG A 90 11.362 -1.941 -6.389 1.00 0.00 H new ATOM 0 HA ARG A 90 12.228 -4.108 -7.948 1.00 0.00 H new ATOM 0 HB2 ARG A 90 13.271 -1.319 -7.394 1.00 0.00 H new ATOM 0 HB3 ARG A 90 14.148 -2.413 -8.446 1.00 0.00 H new ATOM 0 HG2 ARG A 90 11.783 -2.665 -9.637 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.462 -1.126 -8.862 1.00 0.00 H new ATOM 0 HD2 ARG A 90 13.252 -0.041 -10.001 1.00 0.00 H new ATOM 0 HD3 ARG A 90 14.003 -1.559 -10.452 1.00 0.00 H new ATOM 0 HE ARG A 90 11.386 -1.457 -11.612 1.00 0.00 H new ATOM 0 HH11 ARG A 90 14.574 0.041 -11.852 1.00 0.00 H new ATOM 0 HH12 ARG A 90 14.392 0.426 -13.567 1.00 0.00 H new ATOM 0 HH21 ARG A 90 11.161 -0.961 -13.816 1.00 0.00 H new ATOM 0 HH22 ARG A 90 12.469 -0.139 -14.674 1.00 0.00 H new