USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 607 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 31:sc= 0.199 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.216 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.964 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 19:sc= 0.707 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -104:sc= 0.413 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot -140:sc= -2.39! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN :FLIP amide:sc= -1.78 F(o=-2.6,f=-1.8) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.00946 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.461 K(o=-0.46,f=-4.7!) USER MOD Single : A 61 CYS SG : rot 138:sc= -0.21 USER MOD Single : A 64 LYS NZ :NH3+ -125:sc= -0.0325 (180deg=-0.823) USER MOD Single : A 72 HIS : no HD1:sc= -2.89! C(o=-2.9!,f=-2.7!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.647 -18.520 -6.052 1.00 0.00 N ATOM 2 CA GLY A 1 21.315 -18.963 -7.434 1.00 0.00 C ATOM 3 C GLY A 1 19.980 -18.426 -7.909 1.00 0.00 C ATOM 4 O GLY A 1 19.924 -17.420 -8.616 1.00 0.00 O ATOM 0 H1 GLY A 1 22.569 -18.913 -5.773 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.690 -17.481 -6.021 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.914 -18.856 -5.394 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.099 -18.634 -8.116 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.298 -20.052 -7.469 1.00 0.00 H new ATOM 10 N SER A 2 18.901 -19.100 -7.520 1.00 0.00 N ATOM 11 CA SER A 2 17.559 -18.685 -7.912 1.00 0.00 C ATOM 12 C SER A 2 16.534 -19.094 -6.859 1.00 0.00 C ATOM 13 O SER A 2 15.982 -20.193 -6.911 1.00 0.00 O ATOM 14 CB SER A 2 17.188 -19.294 -9.265 1.00 0.00 C ATOM 15 OG SER A 2 17.625 -18.471 -10.333 1.00 0.00 O ATOM 0 H SER A 2 18.931 -19.935 -6.934 1.00 0.00 H new ATOM 0 HA SER A 2 17.553 -17.598 -7.997 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.637 -20.283 -9.357 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.108 -19.427 -9.323 1.00 0.00 H new ATOM 0 HG SER A 2 18.436 -17.991 -10.065 1.00 0.00 H new ATOM 21 N SER A 3 16.286 -18.204 -5.904 1.00 0.00 N ATOM 22 CA SER A 3 15.329 -18.472 -4.838 1.00 0.00 C ATOM 23 C SER A 3 15.081 -17.222 -4.001 1.00 0.00 C ATOM 24 O SER A 3 14.946 -17.297 -2.779 1.00 0.00 O ATOM 25 CB SER A 3 15.833 -19.609 -3.946 1.00 0.00 C ATOM 26 OG SER A 3 17.192 -19.417 -3.595 1.00 0.00 O ATOM 0 H SER A 3 16.735 -17.290 -5.847 1.00 0.00 H new ATOM 0 HA SER A 3 14.386 -18.771 -5.296 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.225 -19.664 -3.043 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.719 -20.561 -4.465 1.00 0.00 H new ATOM 0 HG SER A 3 17.490 -20.155 -3.024 1.00 0.00 H new ATOM 32 N GLY A 4 15.022 -16.073 -4.665 1.00 0.00 N ATOM 33 CA GLY A 4 14.791 -14.822 -3.966 1.00 0.00 C ATOM 34 C GLY A 4 13.335 -14.401 -3.996 1.00 0.00 C ATOM 35 O GLY A 4 12.715 -14.362 -5.059 1.00 0.00 O ATOM 0 H GLY A 4 15.130 -15.985 -5.675 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.116 -14.923 -2.930 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.402 -14.040 -4.417 1.00 0.00 H new ATOM 39 N SER A 5 12.789 -14.085 -2.827 1.00 0.00 N ATOM 40 CA SER A 5 11.397 -13.665 -2.721 1.00 0.00 C ATOM 41 C SER A 5 11.299 -12.181 -2.383 1.00 0.00 C ATOM 42 O SER A 5 10.348 -11.505 -2.774 1.00 0.00 O ATOM 43 CB SER A 5 10.671 -14.491 -1.657 1.00 0.00 C ATOM 44 OG SER A 5 9.320 -14.718 -2.020 1.00 0.00 O ATOM 0 H SER A 5 13.290 -14.112 -1.939 1.00 0.00 H new ATOM 0 HA SER A 5 10.921 -13.831 -3.687 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.180 -15.446 -1.524 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.711 -13.972 -0.699 1.00 0.00 H new ATOM 0 HG SER A 5 8.879 -15.249 -1.324 1.00 0.00 H new ATOM 50 N SER A 6 12.291 -11.679 -1.653 1.00 0.00 N ATOM 51 CA SER A 6 12.318 -10.274 -1.262 1.00 0.00 C ATOM 52 C SER A 6 11.113 -9.928 -0.393 1.00 0.00 C ATOM 53 O SER A 6 10.205 -10.743 -0.220 1.00 0.00 O ATOM 54 CB SER A 6 12.343 -9.377 -2.500 1.00 0.00 C ATOM 55 OG SER A 6 12.497 -8.015 -2.141 1.00 0.00 O ATOM 0 H SER A 6 13.086 -12.224 -1.321 1.00 0.00 H new ATOM 0 HA SER A 6 13.224 -10.103 -0.681 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.161 -9.678 -3.155 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.419 -9.505 -3.064 1.00 0.00 H new ATOM 0 HG SER A 6 12.512 -7.463 -2.951 1.00 0.00 H new ATOM 61 N GLY A 7 11.110 -8.715 0.150 1.00 0.00 N ATOM 62 CA GLY A 7 10.011 -8.284 0.994 1.00 0.00 C ATOM 63 C GLY A 7 10.233 -6.900 1.573 1.00 0.00 C ATOM 64 O GLY A 7 11.240 -6.652 2.237 1.00 0.00 O ATOM 0 H GLY A 7 11.848 -8.023 0.021 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.088 -8.288 0.414 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.880 -8.998 1.807 1.00 0.00 H new ATOM 68 N LEU A 8 9.291 -5.997 1.321 1.00 0.00 N ATOM 69 CA LEU A 8 9.388 -4.631 1.821 1.00 0.00 C ATOM 70 C LEU A 8 9.153 -4.585 3.328 1.00 0.00 C ATOM 71 O LEU A 8 8.254 -5.247 3.847 1.00 0.00 O ATOM 72 CB LEU A 8 8.377 -3.731 1.108 1.00 0.00 C ATOM 73 CG LEU A 8 8.540 -3.652 -0.411 1.00 0.00 C ATOM 74 CD1 LEU A 8 7.182 -3.582 -1.091 1.00 0.00 C ATOM 75 CD2 LEU A 8 9.392 -2.451 -0.792 1.00 0.00 C ATOM 0 H LEU A 8 8.452 -6.187 0.773 1.00 0.00 H new ATOM 0 HA LEU A 8 10.395 -4.267 1.617 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.372 -4.090 1.332 1.00 0.00 H new ATOM 0 HB3 LEU A 8 8.455 -2.725 1.520 1.00 0.00 H new ATOM 0 HG LEU A 8 9.046 -4.555 -0.751 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.318 -3.526 -2.171 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.605 -4.473 -0.844 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.648 -2.696 -0.747 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.498 -2.409 -1.876 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.912 -1.538 -0.439 1.00 0.00 H new ATOM 0 HD23 LEU A 8 10.377 -2.544 -0.334 1.00 0.00 H new ATOM 87 N ARG A 9 9.967 -3.799 4.025 1.00 0.00 N ATOM 88 CA ARG A 9 9.848 -3.667 5.473 1.00 0.00 C ATOM 89 C ARG A 9 8.783 -2.638 5.838 1.00 0.00 C ATOM 90 O ARG A 9 8.504 -1.718 5.069 1.00 0.00 O ATOM 91 CB ARG A 9 11.192 -3.265 6.082 1.00 0.00 C ATOM 92 CG ARG A 9 12.211 -4.392 6.105 1.00 0.00 C ATOM 93 CD ARG A 9 11.789 -5.508 7.046 1.00 0.00 C ATOM 94 NE ARG A 9 12.893 -5.960 7.890 1.00 0.00 N ATOM 95 CZ ARG A 9 13.306 -5.313 8.978 1.00 0.00 C ATOM 96 NH1 ARG A 9 12.712 -4.189 9.357 1.00 0.00 N ATOM 97 NH2 ARG A 9 14.318 -5.792 9.689 1.00 0.00 N ATOM 0 H ARG A 9 10.716 -3.244 3.611 1.00 0.00 H new ATOM 0 HA ARG A 9 9.549 -4.634 5.878 1.00 0.00 H new ATOM 0 HB2 ARG A 9 11.601 -2.428 5.517 1.00 0.00 H new ATOM 0 HB3 ARG A 9 11.029 -2.913 7.101 1.00 0.00 H new ATOM 0 HG2 ARG A 9 12.335 -4.791 5.098 1.00 0.00 H new ATOM 0 HG3 ARG A 9 13.180 -4.001 6.415 1.00 0.00 H new ATOM 0 HD2 ARG A 9 10.970 -5.161 7.676 1.00 0.00 H new ATOM 0 HD3 ARG A 9 11.410 -6.348 6.465 1.00 0.00 H new ATOM 0 HE ARG A 9 13.375 -6.821 7.631 1.00 0.00 H new ATOM 0 HH11 ARG A 9 11.934 -3.815 8.814 1.00 0.00 H new ATOM 0 HH12 ARG A 9 13.034 -3.699 10.192 1.00 0.00 H new ATOM 0 HH21 ARG A 9 14.779 -6.655 9.402 1.00 0.00 H new ATOM 0 HH22 ARG A 9 14.635 -5.297 10.523 1.00 0.00 H new ATOM 111 N LEU A 10 8.191 -2.801 7.017 1.00 0.00 N ATOM 112 CA LEU A 10 7.155 -1.886 7.485 1.00 0.00 C ATOM 113 C LEU A 10 7.730 -0.495 7.731 1.00 0.00 C ATOM 114 O LEU A 10 8.819 -0.352 8.287 1.00 0.00 O ATOM 115 CB LEU A 10 6.515 -2.420 8.767 1.00 0.00 C ATOM 116 CG LEU A 10 5.494 -3.541 8.563 1.00 0.00 C ATOM 117 CD1 LEU A 10 4.998 -4.062 9.903 1.00 0.00 C ATOM 118 CD2 LEU A 10 4.330 -3.052 7.715 1.00 0.00 C ATOM 0 H LEU A 10 8.410 -3.557 7.665 1.00 0.00 H new ATOM 0 HA LEU A 10 6.392 -1.813 6.710 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.304 -2.784 9.425 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.026 -1.593 9.282 1.00 0.00 H new ATOM 0 HG LEU A 10 5.983 -4.361 8.037 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.273 -4.859 9.738 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.840 -4.451 10.476 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.526 -3.251 10.457 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.613 -3.862 7.580 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.842 -2.215 8.215 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.699 -2.728 6.742 1.00 0.00 H new ATOM 130 N GLY A 11 6.992 0.528 7.313 1.00 0.00 N ATOM 131 CA GLY A 11 7.444 1.894 7.497 1.00 0.00 C ATOM 132 C GLY A 11 8.476 2.307 6.466 1.00 0.00 C ATOM 133 O GLY A 11 9.439 3.003 6.788 1.00 0.00 O ATOM 0 H GLY A 11 6.088 0.435 6.850 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.589 2.567 7.440 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.869 2.002 8.495 1.00 0.00 H new ATOM 137 N ASP A 12 8.273 1.879 5.224 1.00 0.00 N ATOM 138 CA ASP A 12 9.194 2.209 4.142 1.00 0.00 C ATOM 139 C ASP A 12 8.506 3.068 3.085 1.00 0.00 C ATOM 140 O ASP A 12 7.426 2.728 2.602 1.00 0.00 O ATOM 141 CB ASP A 12 9.739 0.931 3.501 1.00 0.00 C ATOM 142 CG ASP A 12 10.968 1.190 2.651 1.00 0.00 C ATOM 143 OD1 ASP A 12 10.937 2.136 1.836 1.00 0.00 O ATOM 144 OD2 ASP A 12 11.960 0.446 2.800 1.00 0.00 O ATOM 0 H ASP A 12 7.480 1.303 4.942 1.00 0.00 H new ATOM 0 HA ASP A 12 10.022 2.778 4.564 1.00 0.00 H new ATOM 0 HB2 ASP A 12 9.986 0.212 4.283 1.00 0.00 H new ATOM 0 HB3 ASP A 12 8.963 0.477 2.884 1.00 0.00 H new ATOM 149 N ARG A 13 9.139 4.181 2.732 1.00 0.00 N ATOM 150 CA ARG A 13 8.588 5.089 1.733 1.00 0.00 C ATOM 151 C ARG A 13 8.673 4.478 0.337 1.00 0.00 C ATOM 152 O ARG A 13 9.760 4.332 -0.222 1.00 0.00 O ATOM 153 CB ARG A 13 9.329 6.428 1.767 1.00 0.00 C ATOM 154 CG ARG A 13 8.414 7.624 1.981 1.00 0.00 C ATOM 155 CD ARG A 13 8.977 8.579 3.020 1.00 0.00 C ATOM 156 NE ARG A 13 8.648 8.164 4.382 1.00 0.00 N ATOM 157 CZ ARG A 13 9.293 8.593 5.465 1.00 0.00 C ATOM 158 NH1 ARG A 13 10.300 9.449 5.350 1.00 0.00 N ATOM 159 NH2 ARG A 13 8.928 8.165 6.666 1.00 0.00 N ATOM 0 H ARG A 13 10.034 4.476 3.123 1.00 0.00 H new ATOM 0 HA ARG A 13 7.538 5.259 1.970 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.072 6.402 2.564 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.870 6.558 0.830 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.277 8.152 1.037 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.430 7.278 2.299 1.00 0.00 H new ATOM 0 HD2 ARG A 13 10.060 8.636 2.910 1.00 0.00 H new ATOM 0 HD3 ARG A 13 8.585 9.580 2.842 1.00 0.00 H new ATOM 0 HE ARG A 13 7.879 7.507 4.511 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.584 9.782 4.429 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.791 9.774 6.183 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.154 7.508 6.760 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.422 8.493 7.496 1.00 0.00 H new ATOM 173 N VAL A 14 7.520 4.123 -0.219 1.00 0.00 N ATOM 174 CA VAL A 14 7.464 3.527 -1.548 1.00 0.00 C ATOM 175 C VAL A 14 6.667 4.402 -2.510 1.00 0.00 C ATOM 176 O VAL A 14 6.007 5.355 -2.097 1.00 0.00 O ATOM 177 CB VAL A 14 6.834 2.122 -1.510 1.00 0.00 C ATOM 178 CG1 VAL A 14 7.752 1.143 -0.795 1.00 0.00 C ATOM 179 CG2 VAL A 14 5.468 2.169 -0.840 1.00 0.00 C ATOM 0 H VAL A 14 6.612 4.238 0.230 1.00 0.00 H new ATOM 0 HA VAL A 14 8.492 3.446 -1.900 1.00 0.00 H new ATOM 0 HB VAL A 14 6.701 1.776 -2.535 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.289 0.156 -0.778 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.705 1.088 -1.320 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.920 1.482 0.227 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.037 1.168 -0.822 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.576 2.536 0.181 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.812 2.836 -1.398 1.00 0.00 H new ATOM 189 N LEU A 15 6.732 4.070 -3.796 1.00 0.00 N ATOM 190 CA LEU A 15 6.016 4.825 -4.817 1.00 0.00 C ATOM 191 C LEU A 15 4.946 3.962 -5.481 1.00 0.00 C ATOM 192 O LEU A 15 5.256 2.972 -6.143 1.00 0.00 O ATOM 193 CB LEU A 15 6.991 5.348 -5.873 1.00 0.00 C ATOM 194 CG LEU A 15 6.457 6.486 -6.743 1.00 0.00 C ATOM 195 CD1 LEU A 15 5.951 7.628 -5.875 1.00 0.00 C ATOM 196 CD2 LEU A 15 7.534 6.979 -7.697 1.00 0.00 C ATOM 0 H LEU A 15 7.273 3.283 -4.155 1.00 0.00 H new ATOM 0 HA LEU A 15 5.528 5.671 -4.332 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.897 5.689 -5.371 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.278 4.520 -6.521 1.00 0.00 H new ATOM 0 HG LEU A 15 5.623 6.106 -7.333 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.575 8.429 -6.511 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.148 7.268 -5.232 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.767 8.006 -5.259 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.136 7.789 -8.308 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.388 7.342 -7.125 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.851 6.160 -8.342 1.00 0.00 H new ATOM 208 N VAL A 16 3.687 4.344 -5.296 1.00 0.00 N ATOM 209 CA VAL A 16 2.571 3.606 -5.876 1.00 0.00 C ATOM 210 C VAL A 16 2.127 4.225 -7.196 1.00 0.00 C ATOM 211 O VAL A 16 1.510 5.290 -7.218 1.00 0.00 O ATOM 212 CB VAL A 16 1.369 3.560 -4.915 1.00 0.00 C ATOM 213 CG1 VAL A 16 0.294 2.624 -5.446 1.00 0.00 C ATOM 214 CG2 VAL A 16 1.814 3.137 -3.522 1.00 0.00 C ATOM 0 H VAL A 16 3.414 5.160 -4.749 1.00 0.00 H new ATOM 0 HA VAL A 16 2.924 2.590 -6.055 1.00 0.00 H new ATOM 0 HB VAL A 16 0.944 4.561 -4.847 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.547 2.605 -4.753 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.046 2.976 -6.420 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.704 1.619 -5.546 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.951 3.110 -2.857 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.266 2.146 -3.570 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.544 3.851 -3.141 1.00 0.00 H new ATOM 224 N GLY A 17 2.447 3.551 -8.296 1.00 0.00 N ATOM 225 CA GLY A 17 2.072 4.050 -9.607 1.00 0.00 C ATOM 226 C GLY A 17 3.192 4.824 -10.275 1.00 0.00 C ATOM 227 O GLY A 17 3.270 4.879 -11.502 1.00 0.00 O ATOM 0 H GLY A 17 2.959 2.669 -8.303 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.784 3.212 -10.242 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.197 4.693 -9.511 1.00 0.00 H new ATOM 231 N GLY A 18 4.059 5.424 -9.466 1.00 0.00 N ATOM 232 CA GLY A 18 5.167 6.191 -10.003 1.00 0.00 C ATOM 233 C GLY A 18 5.021 7.678 -9.748 1.00 0.00 C ATOM 234 O GLY A 18 5.561 8.498 -10.492 1.00 0.00 O ATOM 0 H GLY A 18 4.014 5.393 -8.447 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.098 5.839 -9.558 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.240 6.015 -11.076 1.00 0.00 H new ATOM 238 N THR A 19 4.289 8.029 -8.695 1.00 0.00 N ATOM 239 CA THR A 19 4.073 9.427 -8.344 1.00 0.00 C ATOM 240 C THR A 19 3.583 9.556 -6.906 1.00 0.00 C ATOM 241 O THR A 19 4.116 10.343 -6.124 1.00 0.00 O ATOM 242 CB THR A 19 3.064 10.066 -9.298 1.00 0.00 C ATOM 243 OG1 THR A 19 3.011 9.358 -10.523 1.00 0.00 O ATOM 244 CG2 THR A 19 3.374 11.513 -9.618 1.00 0.00 C ATOM 0 H THR A 19 3.835 7.363 -8.070 1.00 0.00 H new ATOM 0 HA THR A 19 5.026 9.949 -8.433 1.00 0.00 H new ATOM 0 HB THR A 19 2.108 10.023 -8.775 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.359 9.783 -11.118 1.00 0.00 H new ATOM 0 HG21 THR A 19 2.619 11.905 -10.300 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.371 12.098 -8.698 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.356 11.580 -10.087 1.00 0.00 H new ATOM 252 N LYS A 20 2.561 8.778 -6.564 1.00 0.00 N ATOM 253 CA LYS A 20 1.996 8.803 -5.219 1.00 0.00 C ATOM 254 C LYS A 20 2.961 8.183 -4.213 1.00 0.00 C ATOM 255 O LYS A 20 3.180 6.972 -4.212 1.00 0.00 O ATOM 256 CB LYS A 20 0.661 8.057 -5.191 1.00 0.00 C ATOM 257 CG LYS A 20 -0.322 8.529 -6.251 1.00 0.00 C ATOM 258 CD LYS A 20 -0.725 7.397 -7.184 1.00 0.00 C ATOM 259 CE LYS A 20 -1.954 7.759 -8.003 1.00 0.00 C ATOM 260 NZ LYS A 20 -3.182 7.093 -7.487 1.00 0.00 N ATOM 0 H LYS A 20 2.107 8.122 -7.200 1.00 0.00 H new ATOM 0 HA LYS A 20 1.828 9.843 -4.940 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.847 6.992 -5.328 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.207 8.178 -4.207 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.210 8.937 -5.769 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.126 9.337 -6.830 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.103 7.164 -7.853 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.927 6.498 -6.601 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.094 8.840 -7.989 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.795 7.472 -9.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.997 7.366 -8.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.059 6.061 -7.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.349 7.387 -6.503 1.00 0.00 H new ATOM 274 N THR A 21 3.532 9.022 -3.355 1.00 0.00 N ATOM 275 CA THR A 21 4.472 8.557 -2.342 1.00 0.00 C ATOM 276 C THR A 21 3.743 8.177 -1.058 1.00 0.00 C ATOM 277 O THR A 21 3.071 9.006 -0.444 1.00 0.00 O ATOM 278 CB THR A 21 5.515 9.637 -2.050 1.00 0.00 C ATOM 279 OG1 THR A 21 4.921 10.744 -1.395 1.00 0.00 O ATOM 280 CG2 THR A 21 6.203 10.156 -3.294 1.00 0.00 C ATOM 0 H THR A 21 3.360 10.027 -3.341 1.00 0.00 H new ATOM 0 HA THR A 21 4.976 7.671 -2.728 1.00 0.00 H new ATOM 0 HB THR A 21 6.259 9.155 -1.416 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.064 10.472 -1.005 1.00 0.00 H new ATOM 0 HG21 THR A 21 6.930 10.919 -3.016 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.713 9.335 -3.797 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.462 10.589 -3.966 1.00 0.00 H new ATOM 288 N GLY A 22 3.881 6.918 -0.655 1.00 0.00 N ATOM 289 CA GLY A 22 3.230 6.451 0.554 1.00 0.00 C ATOM 290 C GLY A 22 4.087 5.473 1.333 1.00 0.00 C ATOM 291 O GLY A 22 4.957 4.811 0.766 1.00 0.00 O ATOM 0 H GLY A 22 4.432 6.213 -1.145 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.992 7.305 1.188 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.285 5.974 0.293 1.00 0.00 H new ATOM 295 N VAL A 23 3.843 5.383 2.637 1.00 0.00 N ATOM 296 CA VAL A 23 4.599 4.479 3.495 1.00 0.00 C ATOM 297 C VAL A 23 3.938 3.107 3.564 1.00 0.00 C ATOM 298 O VAL A 23 2.712 2.998 3.602 1.00 0.00 O ATOM 299 CB VAL A 23 4.737 5.043 4.922 1.00 0.00 C ATOM 300 CG1 VAL A 23 5.659 4.166 5.757 1.00 0.00 C ATOM 301 CG2 VAL A 23 5.244 6.477 4.885 1.00 0.00 C ATOM 0 H VAL A 23 3.128 5.925 3.122 1.00 0.00 H new ATOM 0 HA VAL A 23 5.591 4.380 3.055 1.00 0.00 H new ATOM 0 HB VAL A 23 3.752 5.043 5.388 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.744 4.580 6.762 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.249 3.158 5.814 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.645 4.131 5.294 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.335 6.857 5.902 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.219 6.506 4.399 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.542 7.097 4.327 1.00 0.00 H new ATOM 311 N VAL A 24 4.757 2.061 3.579 1.00 0.00 N ATOM 312 CA VAL A 24 4.252 0.695 3.644 1.00 0.00 C ATOM 313 C VAL A 24 3.586 0.419 4.988 1.00 0.00 C ATOM 314 O VAL A 24 4.206 0.564 6.041 1.00 0.00 O ATOM 315 CB VAL A 24 5.379 -0.333 3.421 1.00 0.00 C ATOM 316 CG1 VAL A 24 4.811 -1.742 3.344 1.00 0.00 C ATOM 317 CG2 VAL A 24 6.166 0.001 2.161 1.00 0.00 C ATOM 0 H VAL A 24 5.774 2.133 3.547 1.00 0.00 H new ATOM 0 HA VAL A 24 3.515 0.592 2.848 1.00 0.00 H new ATOM 0 HB VAL A 24 6.060 -0.287 4.271 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.622 -2.453 3.186 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.297 -1.979 4.276 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.106 -1.805 2.515 1.00 0.00 H new ATOM 0 HG21 VAL A 24 6.957 -0.736 2.020 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.498 -0.015 1.300 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.607 0.993 2.260 1.00 0.00 H new ATOM 327 N ARG A 25 2.319 0.020 4.943 1.00 0.00 N ATOM 328 CA ARG A 25 1.567 -0.275 6.157 1.00 0.00 C ATOM 329 C ARG A 25 1.358 -1.779 6.315 1.00 0.00 C ATOM 330 O ARG A 25 1.271 -2.290 7.431 1.00 0.00 O ATOM 331 CB ARG A 25 0.216 0.440 6.133 1.00 0.00 C ATOM 332 CG ARG A 25 0.235 1.799 6.815 1.00 0.00 C ATOM 333 CD ARG A 25 -0.126 1.689 8.287 1.00 0.00 C ATOM 334 NE ARG A 25 -0.214 2.998 8.929 1.00 0.00 N ATOM 335 CZ ARG A 25 -0.829 3.214 10.090 1.00 0.00 C ATOM 336 NH1 ARG A 25 -1.410 2.212 10.738 1.00 0.00 N ATOM 337 NH2 ARG A 25 -0.862 4.435 10.604 1.00 0.00 N ATOM 0 H ARG A 25 1.792 -0.106 4.079 1.00 0.00 H new ATOM 0 HA ARG A 25 2.144 0.085 7.008 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.100 0.567 5.098 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.528 -0.191 6.619 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.225 2.244 6.714 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.467 2.467 6.316 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.080 1.171 8.388 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.622 1.084 8.799 1.00 0.00 H new ATOM 0 HE ARG A 25 0.221 3.793 8.461 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.387 1.270 10.347 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.880 2.384 11.627 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.417 5.208 10.110 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.333 4.601 11.493 1.00 0.00 H new ATOM 351 N TYR A 26 1.279 -2.482 5.190 1.00 0.00 N ATOM 352 CA TYR A 26 1.079 -3.926 5.203 1.00 0.00 C ATOM 353 C TYR A 26 2.005 -4.611 4.203 1.00 0.00 C ATOM 354 O TYR A 26 2.351 -4.039 3.169 1.00 0.00 O ATOM 355 CB TYR A 26 -0.377 -4.264 4.882 1.00 0.00 C ATOM 356 CG TYR A 26 -0.679 -5.746 4.927 1.00 0.00 C ATOM 357 CD1 TYR A 26 -0.807 -6.412 6.139 1.00 0.00 C ATOM 358 CD2 TYR A 26 -0.836 -6.478 3.756 1.00 0.00 C ATOM 359 CE1 TYR A 26 -1.082 -7.765 6.183 1.00 0.00 C ATOM 360 CE2 TYR A 26 -1.113 -7.831 3.792 1.00 0.00 C ATOM 361 CZ TYR A 26 -1.234 -8.470 5.008 1.00 0.00 C ATOM 362 OH TYR A 26 -1.509 -9.818 5.048 1.00 0.00 O ATOM 0 H TYR A 26 1.350 -2.075 4.258 1.00 0.00 H new ATOM 0 HA TYR A 26 1.317 -4.292 6.202 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.026 -3.748 5.590 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.620 -3.882 3.890 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.690 -5.863 7.062 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.740 -5.981 2.802 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -1.178 -8.268 7.134 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.234 -8.385 2.873 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.587 -10.163 4.134 1.00 0.00 H new ATOM 372 N VAL A 27 2.403 -5.839 4.518 1.00 0.00 N ATOM 373 CA VAL A 27 3.290 -6.601 3.647 1.00 0.00 C ATOM 374 C VAL A 27 3.022 -8.097 3.766 1.00 0.00 C ATOM 375 O VAL A 27 3.383 -8.725 4.762 1.00 0.00 O ATOM 376 CB VAL A 27 4.769 -6.327 3.974 1.00 0.00 C ATOM 377 CG1 VAL A 27 5.676 -6.985 2.946 1.00 0.00 C ATOM 378 CG2 VAL A 27 5.032 -4.830 4.048 1.00 0.00 C ATOM 0 H VAL A 27 2.126 -6.327 5.369 1.00 0.00 H new ATOM 0 HA VAL A 27 3.087 -6.278 2.626 1.00 0.00 H new ATOM 0 HB VAL A 27 4.991 -6.760 4.949 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.717 -6.780 3.195 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.508 -8.062 2.949 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.454 -6.586 1.956 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.083 -4.656 4.280 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.791 -4.370 3.089 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.411 -4.390 4.828 1.00 0.00 H new ATOM 388 N GLY A 28 2.388 -8.663 2.745 1.00 0.00 N ATOM 389 CA GLY A 28 2.084 -10.082 2.754 1.00 0.00 C ATOM 390 C GLY A 28 1.089 -10.468 1.677 1.00 0.00 C ATOM 391 O GLY A 28 0.790 -9.675 0.784 1.00 0.00 O ATOM 0 H GLY A 28 2.079 -8.164 1.911 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.005 -10.649 2.614 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.685 -10.359 3.730 1.00 0.00 H new ATOM 395 N GLU A 29 0.575 -11.691 1.761 1.00 0.00 N ATOM 396 CA GLU A 29 -0.391 -12.181 0.785 1.00 0.00 C ATOM 397 C GLU A 29 -1.819 -11.924 1.256 1.00 0.00 C ATOM 398 O GLU A 29 -2.082 -11.844 2.456 1.00 0.00 O ATOM 399 CB GLU A 29 -0.186 -13.677 0.540 1.00 0.00 C ATOM 400 CG GLU A 29 0.943 -13.986 -0.430 1.00 0.00 C ATOM 401 CD GLU A 29 0.785 -15.338 -1.098 1.00 0.00 C ATOM 402 OE1 GLU A 29 0.385 -16.299 -0.406 1.00 0.00 O ATOM 403 OE2 GLU A 29 1.061 -15.437 -2.312 1.00 0.00 O ATOM 0 H GLU A 29 0.811 -12.360 2.494 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.232 -11.641 -0.148 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.019 -14.168 1.491 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.112 -14.104 0.155 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.983 -13.210 -1.194 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.893 -13.957 0.103 1.00 0.00 H new ATOM 410 N THR A 30 -2.737 -11.792 0.304 1.00 0.00 N ATOM 411 CA THR A 30 -4.138 -11.543 0.621 1.00 0.00 C ATOM 412 C THR A 30 -4.997 -12.757 0.280 1.00 0.00 C ATOM 413 O THR A 30 -4.487 -13.788 -0.157 1.00 0.00 O ATOM 414 CB THR A 30 -4.644 -10.317 -0.140 1.00 0.00 C ATOM 415 OG1 THR A 30 -4.458 -10.480 -1.535 1.00 0.00 O ATOM 416 CG2 THR A 30 -3.955 -9.032 0.267 1.00 0.00 C ATOM 0 H THR A 30 -2.535 -11.853 -0.694 1.00 0.00 H new ATOM 0 HA THR A 30 -4.215 -11.355 1.692 1.00 0.00 H new ATOM 0 HB THR A 30 -5.702 -10.239 0.111 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.697 -9.937 -1.829 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.361 -8.202 -0.311 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.122 -8.850 1.329 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.885 -9.117 0.077 1.00 0.00 H new ATOM 424 N ASP A 31 -6.304 -12.625 0.484 1.00 0.00 N ATOM 425 CA ASP A 31 -7.234 -13.712 0.199 1.00 0.00 C ATOM 426 C ASP A 31 -8.082 -13.394 -1.029 1.00 0.00 C ATOM 427 O ASP A 31 -8.361 -14.270 -1.848 1.00 0.00 O ATOM 428 CB ASP A 31 -8.138 -13.967 1.405 1.00 0.00 C ATOM 429 CG ASP A 31 -7.563 -15.006 2.349 1.00 0.00 C ATOM 430 OD1 ASP A 31 -7.842 -16.207 2.151 1.00 0.00 O ATOM 431 OD2 ASP A 31 -6.832 -14.618 3.285 1.00 0.00 O ATOM 0 H ASP A 31 -6.742 -11.778 0.845 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.652 -14.611 -0.006 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.290 -13.033 1.946 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.117 -14.297 1.058 1.00 0.00 H new ATOM 436 N PHE A 32 -8.490 -12.134 -1.149 1.00 0.00 N ATOM 437 CA PHE A 32 -9.307 -11.701 -2.277 1.00 0.00 C ATOM 438 C PHE A 32 -8.522 -11.785 -3.581 1.00 0.00 C ATOM 439 O PHE A 32 -9.044 -12.231 -4.603 1.00 0.00 O ATOM 440 CB PHE A 32 -9.799 -10.269 -2.056 1.00 0.00 C ATOM 441 CG PHE A 32 -8.695 -9.295 -1.757 1.00 0.00 C ATOM 442 CD1 PHE A 32 -7.981 -8.702 -2.786 1.00 0.00 C ATOM 443 CD2 PHE A 32 -8.373 -8.972 -0.449 1.00 0.00 C ATOM 444 CE1 PHE A 32 -6.965 -7.804 -2.513 1.00 0.00 C ATOM 445 CE2 PHE A 32 -7.357 -8.077 -0.171 1.00 0.00 C ATOM 446 CZ PHE A 32 -6.653 -7.492 -1.205 1.00 0.00 C ATOM 0 H PHE A 32 -8.269 -11.396 -0.480 1.00 0.00 H new ATOM 0 HA PHE A 32 -10.167 -12.367 -2.348 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -10.335 -9.936 -2.945 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.512 -10.262 -1.232 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -8.220 -8.943 -3.811 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.922 -9.425 0.363 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.416 -7.347 -3.323 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -7.114 -7.836 0.853 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.859 -6.791 -0.991 1.00 0.00 H new ATOM 456 N ALA A 33 -7.266 -11.354 -3.540 1.00 0.00 N ATOM 457 CA ALA A 33 -6.409 -11.381 -4.719 1.00 0.00 C ATOM 458 C ALA A 33 -5.328 -12.450 -4.587 1.00 0.00 C ATOM 459 O ALA A 33 -4.837 -12.719 -3.491 1.00 0.00 O ATOM 460 CB ALA A 33 -5.778 -10.015 -4.943 1.00 0.00 C ATOM 0 H ALA A 33 -6.819 -10.982 -2.702 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.027 -11.630 -5.582 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.141 -10.049 -5.826 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.562 -9.272 -5.090 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.179 -9.744 -4.074 1.00 0.00 H new ATOM 466 N LYS A 34 -4.965 -13.057 -5.713 1.00 0.00 N ATOM 467 CA LYS A 34 -3.942 -14.097 -5.723 1.00 0.00 C ATOM 468 C LYS A 34 -2.552 -13.492 -5.887 1.00 0.00 C ATOM 469 O LYS A 34 -2.242 -12.892 -6.916 1.00 0.00 O ATOM 470 CB LYS A 34 -4.212 -15.095 -6.850 1.00 0.00 C ATOM 471 CG LYS A 34 -5.180 -16.203 -6.464 1.00 0.00 C ATOM 472 CD LYS A 34 -5.689 -16.948 -7.686 1.00 0.00 C ATOM 473 CE LYS A 34 -6.686 -18.031 -7.303 1.00 0.00 C ATOM 474 NZ LYS A 34 -8.093 -17.579 -7.479 1.00 0.00 N ATOM 0 H LYS A 34 -5.363 -12.847 -6.628 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.981 -14.619 -4.767 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.611 -14.559 -7.711 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.268 -15.541 -7.163 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.684 -16.902 -5.791 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.023 -15.778 -5.919 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.160 -16.244 -8.372 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.849 -17.396 -8.216 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.511 -18.917 -7.913 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.525 -18.321 -6.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.741 -18.346 -7.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.269 -16.748 -6.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.254 -17.326 -8.475 1.00 0.00 H new ATOM 488 N GLY A 35 -1.718 -13.654 -4.865 1.00 0.00 N ATOM 489 CA GLY A 35 -0.370 -13.118 -4.916 1.00 0.00 C ATOM 490 C GLY A 35 -0.020 -12.310 -3.680 1.00 0.00 C ATOM 491 O GLY A 35 -0.771 -12.300 -2.705 1.00 0.00 O ATOM 0 H GLY A 35 -1.951 -14.147 -4.003 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.340 -13.938 -5.023 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.266 -12.488 -5.800 1.00 0.00 H new ATOM 495 N GLU A 36 1.123 -11.634 -3.723 1.00 0.00 N ATOM 496 CA GLU A 36 1.571 -10.820 -2.598 1.00 0.00 C ATOM 497 C GLU A 36 1.245 -9.348 -2.828 1.00 0.00 C ATOM 498 O GLU A 36 1.628 -8.769 -3.843 1.00 0.00 O ATOM 499 CB GLU A 36 3.076 -10.995 -2.383 1.00 0.00 C ATOM 500 CG GLU A 36 3.478 -11.057 -0.919 1.00 0.00 C ATOM 501 CD GLU A 36 4.931 -11.442 -0.729 1.00 0.00 C ATOM 502 OE1 GLU A 36 5.812 -10.643 -1.113 1.00 0.00 O ATOM 503 OE2 GLU A 36 5.190 -12.542 -0.197 1.00 0.00 O ATOM 0 H GLU A 36 1.756 -11.633 -4.523 1.00 0.00 H new ATOM 0 HA GLU A 36 1.042 -11.155 -1.705 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.402 -11.909 -2.880 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.601 -10.168 -2.861 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.300 -10.087 -0.456 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.844 -11.778 -0.402 1.00 0.00 H new ATOM 510 N TRP A 37 0.532 -8.750 -1.878 1.00 0.00 N ATOM 511 CA TRP A 37 0.154 -7.345 -1.977 1.00 0.00 C ATOM 512 C TRP A 37 0.739 -6.541 -0.821 1.00 0.00 C ATOM 513 O TRP A 37 1.036 -7.087 0.241 1.00 0.00 O ATOM 514 CB TRP A 37 -1.369 -7.206 -1.989 1.00 0.00 C ATOM 515 CG TRP A 37 -2.011 -7.802 -3.205 1.00 0.00 C ATOM 516 CD1 TRP A 37 -2.144 -9.130 -3.494 1.00 0.00 C ATOM 517 CD2 TRP A 37 -2.606 -7.092 -4.296 1.00 0.00 C ATOM 518 NE1 TRP A 37 -2.785 -9.289 -4.699 1.00 0.00 N ATOM 519 CE2 TRP A 37 -3.079 -8.052 -5.211 1.00 0.00 C ATOM 520 CE3 TRP A 37 -2.785 -5.736 -4.589 1.00 0.00 C ATOM 521 CZ2 TRP A 37 -3.720 -7.699 -6.396 1.00 0.00 C ATOM 522 CZ3 TRP A 37 -3.421 -5.388 -5.767 1.00 0.00 C ATOM 523 CH2 TRP A 37 -3.882 -6.366 -6.657 1.00 0.00 C ATOM 0 H TRP A 37 0.205 -9.216 -1.032 1.00 0.00 H new ATOM 0 HA TRP A 37 0.557 -6.951 -2.910 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -1.777 -7.686 -1.099 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -1.631 -6.150 -1.930 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.796 -9.938 -2.867 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -3.006 -10.182 -5.140 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.433 -4.975 -3.908 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.076 -8.451 -7.084 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -3.565 -4.344 -6.004 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -4.376 -6.062 -7.568 1.00 0.00 H new ATOM 534 N CYS A 38 0.903 -5.239 -1.037 1.00 0.00 N ATOM 535 CA CYS A 38 1.454 -4.359 -0.012 1.00 0.00 C ATOM 536 C CYS A 38 0.616 -3.092 0.123 1.00 0.00 C ATOM 537 O CYS A 38 0.432 -2.351 -0.844 1.00 0.00 O ATOM 538 CB CYS A 38 2.901 -3.994 -0.347 1.00 0.00 C ATOM 539 SG CYS A 38 4.128 -5.124 0.351 1.00 0.00 S ATOM 0 H CYS A 38 0.663 -4.771 -1.911 1.00 0.00 H new ATOM 0 HA CYS A 38 1.432 -4.891 0.939 1.00 0.00 H new ATOM 0 HB2 CYS A 38 3.017 -3.973 -1.431 1.00 0.00 H new ATOM 0 HB3 CYS A 38 3.103 -2.986 0.015 1.00 0.00 H new ATOM 0 HG CYS A 38 5.150 -4.444 0.779 1.00 0.00 H new ATOM 545 N GLY A 39 0.111 -2.849 1.327 1.00 0.00 N ATOM 546 CA GLY A 39 -0.702 -1.670 1.565 1.00 0.00 C ATOM 547 C GLY A 39 0.131 -0.415 1.736 1.00 0.00 C ATOM 548 O GLY A 39 0.968 -0.335 2.635 1.00 0.00 O ATOM 0 H GLY A 39 0.250 -3.446 2.142 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.391 -1.534 0.732 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.308 -1.825 2.458 1.00 0.00 H new ATOM 552 N VAL A 40 -0.100 0.567 0.871 1.00 0.00 N ATOM 553 CA VAL A 40 0.637 1.824 0.929 1.00 0.00 C ATOM 554 C VAL A 40 -0.271 2.972 1.359 1.00 0.00 C ATOM 555 O VAL A 40 -1.327 3.197 0.768 1.00 0.00 O ATOM 556 CB VAL A 40 1.269 2.169 -0.433 1.00 0.00 C ATOM 557 CG1 VAL A 40 2.191 3.372 -0.305 1.00 0.00 C ATOM 558 CG2 VAL A 40 2.019 0.969 -0.992 1.00 0.00 C ATOM 0 H VAL A 40 -0.791 0.517 0.122 1.00 0.00 H new ATOM 0 HA VAL A 40 1.429 1.693 1.666 1.00 0.00 H new ATOM 0 HB VAL A 40 0.471 2.426 -1.129 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.628 3.601 -1.277 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.621 4.231 0.048 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.986 3.147 0.406 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.459 1.231 -1.954 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.809 0.678 -0.299 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.327 0.137 -1.124 1.00 0.00 H new ATOM 568 N GLU A 41 0.148 3.695 2.393 1.00 0.00 N ATOM 569 CA GLU A 41 -0.627 4.820 2.903 1.00 0.00 C ATOM 570 C GLU A 41 -0.115 6.138 2.332 1.00 0.00 C ATOM 571 O GLU A 41 0.965 6.605 2.694 1.00 0.00 O ATOM 572 CB GLU A 41 -0.568 4.856 4.431 1.00 0.00 C ATOM 573 CG GLU A 41 -1.411 5.961 5.046 1.00 0.00 C ATOM 574 CD GLU A 41 -0.585 7.166 5.454 1.00 0.00 C ATOM 575 OE1 GLU A 41 0.380 6.990 6.228 1.00 0.00 O ATOM 576 OE2 GLU A 41 -0.902 8.285 4.999 1.00 0.00 O ATOM 0 H GLU A 41 1.020 3.522 2.894 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.662 4.687 2.589 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.902 3.895 4.822 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.468 4.984 4.743 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.173 6.272 4.331 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.934 5.571 5.919 1.00 0.00 H new ATOM 583 N LEU A 42 -0.896 6.732 1.436 1.00 0.00 N ATOM 584 CA LEU A 42 -0.521 7.997 0.814 1.00 0.00 C ATOM 585 C LEU A 42 -0.673 9.153 1.797 1.00 0.00 C ATOM 586 O LEU A 42 -1.571 9.151 2.640 1.00 0.00 O ATOM 587 CB LEU A 42 -1.378 8.253 -0.428 1.00 0.00 C ATOM 588 CG LEU A 42 -1.181 7.252 -1.567 1.00 0.00 C ATOM 589 CD1 LEU A 42 -2.023 7.642 -2.772 1.00 0.00 C ATOM 590 CD2 LEU A 42 0.289 7.161 -1.949 1.00 0.00 C ATOM 0 H LEU A 42 -1.792 6.358 1.124 1.00 0.00 H new ATOM 0 HA LEU A 42 0.526 7.931 0.518 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.428 8.245 -0.135 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.160 9.253 -0.802 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.508 6.271 -1.223 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.870 6.918 -3.573 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.076 7.655 -2.491 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.727 8.633 -3.117 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.410 6.444 -2.761 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.642 8.140 -2.274 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.870 6.834 -1.086 1.00 0.00 H new ATOM 602 N ASP A 43 0.210 10.140 1.684 1.00 0.00 N ATOM 603 CA ASP A 43 0.174 11.303 2.564 1.00 0.00 C ATOM 604 C ASP A 43 -1.081 12.133 2.316 1.00 0.00 C ATOM 605 O ASP A 43 -1.659 12.695 3.247 1.00 0.00 O ATOM 606 CB ASP A 43 1.420 12.165 2.355 1.00 0.00 C ATOM 607 CG ASP A 43 2.686 11.475 2.823 1.00 0.00 C ATOM 608 OD1 ASP A 43 2.701 10.973 3.965 1.00 0.00 O ATOM 609 OD2 ASP A 43 3.663 11.437 2.045 1.00 0.00 O ATOM 0 H ASP A 43 0.959 10.158 0.992 1.00 0.00 H new ATOM 0 HA ASP A 43 0.155 10.948 3.594 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.514 12.412 1.298 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.302 13.106 2.893 1.00 0.00 H new ATOM 614 N GLU A 44 -1.498 12.206 1.057 1.00 0.00 N ATOM 615 CA GLU A 44 -2.685 12.968 0.687 1.00 0.00 C ATOM 616 C GLU A 44 -3.868 12.039 0.422 1.00 0.00 C ATOM 617 O GLU A 44 -3.691 10.912 -0.040 1.00 0.00 O ATOM 618 CB GLU A 44 -2.405 13.821 -0.551 1.00 0.00 C ATOM 619 CG GLU A 44 -1.186 14.720 -0.408 1.00 0.00 C ATOM 620 CD GLU A 44 -0.112 14.417 -1.434 1.00 0.00 C ATOM 621 OE1 GLU A 44 0.250 13.232 -1.584 1.00 0.00 O ATOM 622 OE2 GLU A 44 0.367 15.367 -2.089 1.00 0.00 O ATOM 0 H GLU A 44 -1.031 11.747 0.275 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.939 13.623 1.520 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.263 13.165 -1.410 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.278 14.438 -0.762 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.494 15.761 -0.507 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.770 14.604 0.593 1.00 0.00 H new ATOM 629 N PRO A 45 -5.096 12.503 0.714 1.00 0.00 N ATOM 630 CA PRO A 45 -6.310 11.707 0.504 1.00 0.00 C ATOM 631 C PRO A 45 -6.650 11.548 -0.975 1.00 0.00 C ATOM 632 O PRO A 45 -7.549 12.211 -1.491 1.00 0.00 O ATOM 633 CB PRO A 45 -7.392 12.519 1.218 1.00 0.00 C ATOM 634 CG PRO A 45 -6.896 13.922 1.181 1.00 0.00 C ATOM 635 CD PRO A 45 -5.397 13.836 1.268 1.00 0.00 C ATOM 0 HA PRO A 45 -6.202 10.690 0.881 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -8.354 12.426 0.715 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -7.534 12.176 2.243 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.205 14.421 0.262 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -7.302 14.501 2.010 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.916 14.627 0.694 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.048 13.931 2.296 1.00 0.00 H new ATOM 643 N LEU A 46 -5.924 10.663 -1.651 1.00 0.00 N ATOM 644 CA LEU A 46 -6.149 10.416 -3.070 1.00 0.00 C ATOM 645 C LEU A 46 -6.289 8.922 -3.347 1.00 0.00 C ATOM 646 O LEU A 46 -5.935 8.444 -4.425 1.00 0.00 O ATOM 647 CB LEU A 46 -5.001 10.994 -3.899 1.00 0.00 C ATOM 648 CG LEU A 46 -4.900 12.520 -3.889 1.00 0.00 C ATOM 649 CD1 LEU A 46 -3.563 12.971 -4.455 1.00 0.00 C ATOM 650 CD2 LEU A 46 -6.047 13.134 -4.678 1.00 0.00 C ATOM 0 H LEU A 46 -5.176 10.106 -1.239 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.078 10.909 -3.355 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.062 10.581 -3.530 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.113 10.659 -4.930 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.969 12.862 -2.856 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.510 14.060 -4.440 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.755 12.560 -3.850 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.465 12.617 -5.481 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.960 14.220 -4.661 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.008 12.783 -5.709 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.996 12.839 -4.230 1.00 0.00 H new ATOM 662 N GLY A 47 -6.806 8.189 -2.366 1.00 0.00 N ATOM 663 CA GLY A 47 -6.983 6.757 -2.523 1.00 0.00 C ATOM 664 C GLY A 47 -8.441 6.365 -2.667 1.00 0.00 C ATOM 665 O GLY A 47 -9.290 7.206 -2.964 1.00 0.00 O ATOM 0 H GLY A 47 -7.106 8.561 -1.465 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.431 6.420 -3.400 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.556 6.245 -1.661 1.00 0.00 H new ATOM 669 N LYS A 48 -8.732 5.086 -2.456 1.00 0.00 N ATOM 670 CA LYS A 48 -10.097 4.585 -2.565 1.00 0.00 C ATOM 671 C LYS A 48 -10.337 3.443 -1.583 1.00 0.00 C ATOM 672 O LYS A 48 -11.132 2.541 -1.847 1.00 0.00 O ATOM 673 CB LYS A 48 -10.376 4.112 -3.993 1.00 0.00 C ATOM 674 CG LYS A 48 -9.307 3.181 -4.545 1.00 0.00 C ATOM 675 CD LYS A 48 -9.801 1.744 -4.627 1.00 0.00 C ATOM 676 CE LYS A 48 -9.924 1.276 -6.068 1.00 0.00 C ATOM 677 NZ LYS A 48 -8.658 0.668 -6.564 1.00 0.00 N ATOM 0 H LYS A 48 -8.041 4.378 -2.209 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.778 5.400 -2.320 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.338 3.601 -4.016 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.461 4.981 -4.645 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.006 3.520 -5.536 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.422 3.226 -3.910 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.114 1.091 -4.089 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.770 1.663 -4.134 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.731 0.548 -6.146 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.194 2.120 -6.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.783 0.362 -7.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.893 1.370 -6.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.413 -0.153 -5.975 1.00 0.00 H new ATOM 691 N ASN A 49 -9.645 3.488 -0.448 1.00 0.00 N ATOM 692 CA ASN A 49 -9.786 2.457 0.573 1.00 0.00 C ATOM 693 C ASN A 49 -9.206 2.927 1.904 1.00 0.00 C ATOM 694 O ASN A 49 -8.619 4.005 1.990 1.00 0.00 O ATOM 695 CB ASN A 49 -9.089 1.170 0.127 1.00 0.00 C ATOM 696 CG ASN A 49 -9.973 0.308 -0.751 1.00 0.00 C ATOM 697 OD1 ASN A 49 -9.531 0.066 -1.980 1.00 0.00 O flip ATOM 698 ND2 ASN A 49 -11.042 -0.136 -0.331 1.00 0.00 N flip ATOM 0 H ASN A 49 -8.982 4.227 -0.213 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.849 2.259 0.709 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.178 1.423 -0.416 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.788 0.600 1.006 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.343 0.075 0.620 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -11.626 -0.715 -0.935 1.00 0.00 H new ATOM 705 N ASP A 50 -9.377 2.112 2.939 1.00 0.00 N ATOM 706 CA ASP A 50 -8.871 2.444 4.266 1.00 0.00 C ATOM 707 C ASP A 50 -8.063 1.287 4.845 1.00 0.00 C ATOM 708 O ASP A 50 -8.046 1.075 6.058 1.00 0.00 O ATOM 709 CB ASP A 50 -10.029 2.792 5.204 1.00 0.00 C ATOM 710 CG ASP A 50 -11.046 1.672 5.308 1.00 0.00 C ATOM 711 OD1 ASP A 50 -10.696 0.519 4.979 1.00 0.00 O ATOM 712 OD2 ASP A 50 -12.193 1.948 5.719 1.00 0.00 O ATOM 0 H ASP A 50 -9.862 1.216 2.885 1.00 0.00 H new ATOM 0 HA ASP A 50 -8.216 3.310 4.172 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.635 3.015 6.196 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.523 3.696 4.847 1.00 0.00 H new ATOM 717 N GLY A 51 -7.395 0.542 3.971 1.00 0.00 N ATOM 718 CA GLY A 51 -6.595 -0.583 4.415 1.00 0.00 C ATOM 719 C GLY A 51 -7.441 -1.773 4.825 1.00 0.00 C ATOM 720 O GLY A 51 -7.038 -2.569 5.672 1.00 0.00 O ATOM 0 H GLY A 51 -7.394 0.698 2.963 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.918 -0.881 3.614 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.976 -0.274 5.257 1.00 0.00 H new ATOM 724 N ALA A 52 -8.620 -1.893 4.222 1.00 0.00 N ATOM 725 CA ALA A 52 -9.526 -2.993 4.528 1.00 0.00 C ATOM 726 C ALA A 52 -10.269 -3.456 3.280 1.00 0.00 C ATOM 727 O ALA A 52 -10.578 -2.657 2.397 1.00 0.00 O ATOM 728 CB ALA A 52 -10.513 -2.578 5.609 1.00 0.00 C ATOM 0 H ALA A 52 -8.969 -1.242 3.519 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.931 -3.829 4.896 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.184 -3.409 5.828 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -9.969 -2.303 6.513 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.095 -1.724 5.262 1.00 0.00 H new ATOM 734 N VAL A 53 -10.552 -4.753 3.213 1.00 0.00 N ATOM 735 CA VAL A 53 -11.259 -5.323 2.073 1.00 0.00 C ATOM 736 C VAL A 53 -12.407 -6.216 2.529 1.00 0.00 C ATOM 737 O VAL A 53 -12.194 -7.214 3.218 1.00 0.00 O ATOM 738 CB VAL A 53 -10.312 -6.142 1.177 1.00 0.00 C ATOM 739 CG1 VAL A 53 -11.016 -6.560 -0.105 1.00 0.00 C ATOM 740 CG2 VAL A 53 -9.051 -5.350 0.867 1.00 0.00 C ATOM 0 H VAL A 53 -10.302 -5.429 3.935 1.00 0.00 H new ATOM 0 HA VAL A 53 -11.658 -4.487 1.499 1.00 0.00 H new ATOM 0 HB VAL A 53 -10.023 -7.044 1.716 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.330 -7.138 -0.725 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -11.886 -7.170 0.140 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.337 -5.672 -0.650 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.394 -5.945 0.233 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -9.318 -4.429 0.349 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.536 -5.108 1.797 1.00 0.00 H new ATOM 750 N ALA A 54 -13.625 -5.851 2.141 1.00 0.00 N ATOM 751 CA ALA A 54 -14.807 -6.619 2.511 1.00 0.00 C ATOM 752 C ALA A 54 -14.973 -6.678 4.024 1.00 0.00 C ATOM 753 O ALA A 54 -15.493 -7.655 4.565 1.00 0.00 O ATOM 754 CB ALA A 54 -14.725 -8.024 1.932 1.00 0.00 C ATOM 0 H ALA A 54 -13.818 -5.028 1.570 1.00 0.00 H new ATOM 0 HA ALA A 54 -15.681 -6.116 2.096 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -15.614 -8.587 2.216 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -14.663 -7.967 0.845 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -13.839 -8.526 2.320 1.00 0.00 H new ATOM 760 N GLY A 55 -14.528 -5.626 4.705 1.00 0.00 N ATOM 761 CA GLY A 55 -14.636 -5.579 6.152 1.00 0.00 C ATOM 762 C GLY A 55 -13.339 -5.950 6.843 1.00 0.00 C ATOM 763 O GLY A 55 -13.053 -5.470 7.941 1.00 0.00 O ATOM 0 H GLY A 55 -14.095 -4.806 4.281 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -14.933 -4.576 6.459 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -15.424 -6.258 6.477 1.00 0.00 H new ATOM 767 N THR A 56 -12.551 -6.806 6.200 1.00 0.00 N ATOM 768 CA THR A 56 -11.277 -7.241 6.759 1.00 0.00 C ATOM 769 C THR A 56 -10.236 -6.129 6.673 1.00 0.00 C ATOM 770 O THR A 56 -9.770 -5.786 5.587 1.00 0.00 O ATOM 771 CB THR A 56 -10.773 -8.485 6.027 1.00 0.00 C ATOM 772 OG1 THR A 56 -11.858 -9.283 5.587 1.00 0.00 O ATOM 773 CG2 THR A 56 -9.877 -9.360 6.878 1.00 0.00 C ATOM 0 H THR A 56 -12.773 -7.212 5.291 1.00 0.00 H new ATOM 0 HA THR A 56 -11.435 -7.485 7.809 1.00 0.00 H new ATOM 0 HB THR A 56 -10.192 -8.108 5.185 1.00 0.00 H new ATOM 0 HG1 THR A 56 -11.515 -10.073 5.120 1.00 0.00 H new ATOM 0 HG21 THR A 56 -9.555 -10.225 6.298 1.00 0.00 H new ATOM 0 HG22 THR A 56 -9.004 -8.789 7.193 1.00 0.00 H new ATOM 0 HG23 THR A 56 -10.426 -9.697 7.757 1.00 0.00 H new ATOM 781 N ARG A 57 -9.878 -5.569 7.824 1.00 0.00 N ATOM 782 CA ARG A 57 -8.892 -4.497 7.878 1.00 0.00 C ATOM 783 C ARG A 57 -7.569 -5.000 8.443 1.00 0.00 C ATOM 784 O ARG A 57 -7.530 -5.605 9.515 1.00 0.00 O ATOM 785 CB ARG A 57 -9.415 -3.338 8.730 1.00 0.00 C ATOM 786 CG ARG A 57 -8.609 -2.059 8.579 1.00 0.00 C ATOM 787 CD ARG A 57 -9.471 -0.826 8.794 1.00 0.00 C ATOM 788 NE ARG A 57 -9.951 -0.728 10.171 1.00 0.00 N ATOM 789 CZ ARG A 57 -10.954 0.060 10.552 1.00 0.00 C ATOM 790 NH1 ARG A 57 -11.585 0.819 9.664 1.00 0.00 N ATOM 791 NH2 ARG A 57 -11.327 0.089 11.824 1.00 0.00 N ATOM 0 H ARG A 57 -10.256 -5.840 8.732 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.721 -4.145 6.861 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.452 -3.138 8.459 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.411 -3.638 9.778 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.788 -2.059 9.296 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.164 -2.024 7.585 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.896 0.066 8.546 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.323 -0.856 8.114 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.491 -1.297 10.882 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.302 0.800 8.684 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.353 1.421 9.962 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.845 -0.492 12.510 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.095 0.693 12.116 1.00 0.00 H new ATOM 805 N TYR A 58 -6.486 -4.748 7.716 1.00 0.00 N ATOM 806 CA TYR A 58 -5.159 -5.176 8.145 1.00 0.00 C ATOM 807 C TYR A 58 -4.513 -4.125 9.042 1.00 0.00 C ATOM 808 O TYR A 58 -4.014 -4.440 10.122 1.00 0.00 O ATOM 809 CB TYR A 58 -4.269 -5.444 6.930 1.00 0.00 C ATOM 810 CG TYR A 58 -4.848 -6.454 5.966 1.00 0.00 C ATOM 811 CD1 TYR A 58 -5.765 -6.071 4.995 1.00 0.00 C ATOM 812 CD2 TYR A 58 -4.479 -7.793 6.027 1.00 0.00 C ATOM 813 CE1 TYR A 58 -6.297 -6.992 4.112 1.00 0.00 C ATOM 814 CE2 TYR A 58 -5.005 -8.720 5.147 1.00 0.00 C ATOM 815 CZ TYR A 58 -5.914 -8.315 4.193 1.00 0.00 C ATOM 816 OH TYR A 58 -6.441 -9.235 3.316 1.00 0.00 O ATOM 0 H TYR A 58 -6.501 -4.249 6.826 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.268 -6.098 8.716 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -4.098 -4.506 6.401 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.297 -5.798 7.273 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -6.067 -5.036 4.929 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -3.769 -8.114 6.775 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -7.009 -6.678 3.363 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -4.706 -9.756 5.206 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.067 -10.120 3.507 1.00 0.00 H new ATOM 826 N PHE A 59 -4.525 -2.877 8.586 1.00 0.00 N ATOM 827 CA PHE A 59 -3.941 -1.780 9.347 1.00 0.00 C ATOM 828 C PHE A 59 -4.924 -0.620 9.475 1.00 0.00 C ATOM 829 O PHE A 59 -5.542 -0.207 8.494 1.00 0.00 O ATOM 830 CB PHE A 59 -2.651 -1.298 8.682 1.00 0.00 C ATOM 831 CG PHE A 59 -2.831 -0.896 7.245 1.00 0.00 C ATOM 832 CD1 PHE A 59 -2.774 -1.843 6.235 1.00 0.00 C ATOM 833 CD2 PHE A 59 -3.057 0.427 6.906 1.00 0.00 C ATOM 834 CE1 PHE A 59 -2.940 -1.477 4.913 1.00 0.00 C ATOM 835 CE2 PHE A 59 -3.224 0.800 5.586 1.00 0.00 C ATOM 836 CZ PHE A 59 -3.165 -0.153 4.587 1.00 0.00 C ATOM 0 H PHE A 59 -4.933 -2.601 7.693 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.710 -2.149 10.346 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.258 -0.449 9.242 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.904 -2.090 8.739 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -2.598 -2.879 6.484 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.103 1.176 7.682 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -2.894 -2.225 4.135 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.401 1.836 5.335 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.294 0.136 3.554 1.00 0.00 H new ATOM 846 N GLN A 60 -5.064 -0.100 10.691 1.00 0.00 N ATOM 847 CA GLN A 60 -5.973 1.012 10.945 1.00 0.00 C ATOM 848 C GLN A 60 -5.530 2.260 10.190 1.00 0.00 C ATOM 849 O GLN A 60 -4.489 2.844 10.490 1.00 0.00 O ATOM 850 CB GLN A 60 -6.043 1.306 12.445 1.00 0.00 C ATOM 851 CG GLN A 60 -7.093 2.342 12.812 1.00 0.00 C ATOM 852 CD GLN A 60 -8.506 1.855 12.559 1.00 0.00 C ATOM 853 OE1 GLN A 60 -8.936 0.843 13.114 1.00 0.00 O ATOM 854 NE2 GLN A 60 -9.236 2.574 11.715 1.00 0.00 N ATOM 0 H GLN A 60 -4.560 -0.430 11.514 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.964 0.728 10.590 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.256 0.380 12.979 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.067 1.653 12.785 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.986 2.605 13.864 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.918 3.251 12.237 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -8.839 3.406 11.278 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -10.194 2.295 11.504 1.00 0.00 H new ATOM 863 N CYS A 61 -6.328 2.665 9.207 1.00 0.00 N ATOM 864 CA CYS A 61 -6.019 3.845 8.409 1.00 0.00 C ATOM 865 C CYS A 61 -7.297 4.558 7.971 1.00 0.00 C ATOM 866 O CYS A 61 -8.352 3.935 7.842 1.00 0.00 O ATOM 867 CB CYS A 61 -5.191 3.454 7.183 1.00 0.00 C ATOM 868 SG CYS A 61 -3.426 3.811 7.340 1.00 0.00 S ATOM 0 H CYS A 61 -7.193 2.193 8.944 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.438 4.530 9.027 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -5.320 2.388 6.996 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -5.581 3.980 6.312 1.00 0.00 H new ATOM 0 HG CYS A 61 -2.738 2.814 6.868 1.00 0.00 H new ATOM 874 N PRO A 62 -7.218 5.879 7.736 1.00 0.00 N ATOM 875 CA PRO A 62 -8.374 6.675 7.310 1.00 0.00 C ATOM 876 C PRO A 62 -8.824 6.332 5.892 1.00 0.00 C ATOM 877 O PRO A 62 -8.098 5.680 5.142 1.00 0.00 O ATOM 878 CB PRO A 62 -7.858 8.115 7.373 1.00 0.00 C ATOM 879 CG PRO A 62 -6.382 7.997 7.213 1.00 0.00 C ATOM 880 CD PRO A 62 -5.998 6.697 7.865 1.00 0.00 C ATOM 0 HA PRO A 62 -9.246 6.493 7.937 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -8.294 8.726 6.583 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.117 8.587 8.321 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.102 8.003 6.160 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -5.870 8.836 7.684 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -5.148 6.232 7.366 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -5.717 6.838 8.909 1.00 0.00 H new ATOM 888 N PRO A 63 -10.035 6.769 5.504 1.00 0.00 N ATOM 889 CA PRO A 63 -10.581 6.504 4.170 1.00 0.00 C ATOM 890 C PRO A 63 -9.880 7.315 3.086 1.00 0.00 C ATOM 891 O PRO A 63 -9.425 8.434 3.330 1.00 0.00 O ATOM 892 CB PRO A 63 -12.044 6.932 4.295 1.00 0.00 C ATOM 893 CG PRO A 63 -12.044 7.962 5.371 1.00 0.00 C ATOM 894 CD PRO A 63 -10.967 7.553 6.338 1.00 0.00 C ATOM 0 HA PRO A 63 -10.451 5.463 3.875 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -12.419 7.339 3.356 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -12.683 6.088 4.554 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -11.845 8.953 4.962 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -13.014 8.010 5.865 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -10.477 8.419 6.782 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -11.369 6.958 7.158 1.00 0.00 H new ATOM 902 N LYS A 64 -9.795 6.745 1.889 1.00 0.00 N ATOM 903 CA LYS A 64 -9.149 7.415 0.765 1.00 0.00 C ATOM 904 C LYS A 64 -7.689 7.726 1.082 1.00 0.00 C ATOM 905 O LYS A 64 -7.135 8.712 0.597 1.00 0.00 O ATOM 906 CB LYS A 64 -9.893 8.706 0.419 1.00 0.00 C ATOM 907 CG LYS A 64 -11.390 8.515 0.234 1.00 0.00 C ATOM 908 CD LYS A 64 -11.694 7.482 -0.841 1.00 0.00 C ATOM 909 CE LYS A 64 -12.475 6.304 -0.281 1.00 0.00 C ATOM 910 NZ LYS A 64 -13.248 5.597 -1.339 1.00 0.00 N ATOM 0 H LYS A 64 -10.165 5.820 1.671 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.181 6.743 -0.093 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.723 9.436 1.210 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.473 9.124 -0.496 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.837 8.201 1.177 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -11.848 9.467 -0.035 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.265 7.949 -1.644 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -10.761 7.126 -1.278 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -11.787 5.605 0.194 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.157 6.656 0.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -14.250 5.551 -1.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.158 6.112 -2.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -12.877 4.632 -1.454 1.00 0.00 H new ATOM 924 N PHE A 65 -7.073 6.879 1.900 1.00 0.00 N ATOM 925 CA PHE A 65 -5.677 7.063 2.281 1.00 0.00 C ATOM 926 C PHE A 65 -4.886 5.774 2.088 1.00 0.00 C ATOM 927 O PHE A 65 -3.784 5.786 1.540 1.00 0.00 O ATOM 928 CB PHE A 65 -5.581 7.524 3.736 1.00 0.00 C ATOM 929 CG PHE A 65 -5.700 9.012 3.904 1.00 0.00 C ATOM 930 CD1 PHE A 65 -4.646 9.847 3.569 1.00 0.00 C ATOM 931 CD2 PHE A 65 -6.866 9.575 4.399 1.00 0.00 C ATOM 932 CE1 PHE A 65 -4.752 11.215 3.722 1.00 0.00 C ATOM 933 CE2 PHE A 65 -6.978 10.944 4.554 1.00 0.00 C ATOM 934 CZ PHE A 65 -5.920 11.766 4.215 1.00 0.00 C ATOM 0 H PHE A 65 -7.518 6.059 2.312 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.248 7.830 1.636 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.366 7.037 4.315 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.628 7.195 4.151 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.731 9.423 3.184 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.696 8.937 4.666 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.923 11.854 3.457 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.892 11.371 4.940 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.006 12.836 4.335 1.00 0.00 H new ATOM 944 N GLY A 66 -5.455 4.663 2.543 1.00 0.00 N ATOM 945 CA GLY A 66 -4.788 3.381 2.410 1.00 0.00 C ATOM 946 C GLY A 66 -5.165 2.660 1.131 1.00 0.00 C ATOM 947 O GLY A 66 -6.347 2.461 0.848 1.00 0.00 O ATOM 0 H GLY A 66 -6.366 4.627 3.001 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.709 3.533 2.433 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.040 2.753 3.265 1.00 0.00 H new ATOM 951 N LEU A 67 -4.159 2.270 0.355 1.00 0.00 N ATOM 952 CA LEU A 67 -4.392 1.568 -0.903 1.00 0.00 C ATOM 953 C LEU A 67 -3.610 0.260 -0.949 1.00 0.00 C ATOM 954 O LEU A 67 -2.601 0.103 -0.261 1.00 0.00 O ATOM 955 CB LEU A 67 -3.996 2.455 -2.085 1.00 0.00 C ATOM 956 CG LEU A 67 -4.643 2.081 -3.420 1.00 0.00 C ATOM 957 CD1 LEU A 67 -6.126 2.421 -3.408 1.00 0.00 C ATOM 958 CD2 LEU A 67 -3.941 2.790 -4.569 1.00 0.00 C ATOM 0 H LEU A 67 -3.175 2.428 0.574 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.455 1.336 -0.971 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.256 3.487 -1.849 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.913 2.418 -2.201 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.539 1.006 -3.564 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.570 2.148 -4.366 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.620 1.868 -2.609 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.253 3.491 -3.241 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.414 2.513 -5.511 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.014 3.869 -4.430 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.891 2.497 -4.590 1.00 0.00 H new ATOM 970 N PHE A 68 -4.082 -0.676 -1.766 1.00 0.00 N ATOM 971 CA PHE A 68 -3.427 -1.973 -1.905 1.00 0.00 C ATOM 972 C PHE A 68 -2.853 -2.145 -3.307 1.00 0.00 C ATOM 973 O PHE A 68 -3.570 -2.026 -4.302 1.00 0.00 O ATOM 974 CB PHE A 68 -4.415 -3.101 -1.604 1.00 0.00 C ATOM 975 CG PHE A 68 -4.845 -3.156 -0.166 1.00 0.00 C ATOM 976 CD1 PHE A 68 -3.923 -3.411 0.837 1.00 0.00 C ATOM 977 CD2 PHE A 68 -6.171 -2.955 0.182 1.00 0.00 C ATOM 978 CE1 PHE A 68 -4.316 -3.462 2.161 1.00 0.00 C ATOM 979 CE2 PHE A 68 -6.570 -3.005 1.504 1.00 0.00 C ATOM 980 CZ PHE A 68 -5.642 -3.260 2.495 1.00 0.00 C ATOM 0 H PHE A 68 -4.916 -0.561 -2.342 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.607 -2.017 -1.188 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.296 -2.978 -2.234 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.960 -4.054 -1.875 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.886 -3.572 0.581 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.901 -2.757 -0.589 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.588 -3.659 2.934 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.606 -2.845 1.762 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.952 -3.301 3.529 1.00 0.00 H new ATOM 990 N ALA A 69 -1.556 -2.425 -3.381 1.00 0.00 N ATOM 991 CA ALA A 69 -0.888 -2.615 -4.662 1.00 0.00 C ATOM 992 C ALA A 69 0.083 -3.791 -4.607 1.00 0.00 C ATOM 993 O ALA A 69 0.704 -4.046 -3.575 1.00 0.00 O ATOM 994 CB ALA A 69 -0.157 -1.344 -5.067 1.00 0.00 C ATOM 0 H ALA A 69 -0.947 -2.525 -2.569 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.648 -2.840 -5.411 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.338 -1.499 -6.026 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.872 -0.526 -5.156 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.587 -1.095 -4.310 1.00 0.00 H new ATOM 1000 N PRO A 70 0.229 -4.530 -5.722 1.00 0.00 N ATOM 1001 CA PRO A 70 1.133 -5.684 -5.791 1.00 0.00 C ATOM 1002 C PRO A 70 2.560 -5.324 -5.392 1.00 0.00 C ATOM 1003 O PRO A 70 3.025 -4.215 -5.651 1.00 0.00 O ATOM 1004 CB PRO A 70 1.078 -6.099 -7.264 1.00 0.00 C ATOM 1005 CG PRO A 70 -0.221 -5.569 -7.763 1.00 0.00 C ATOM 1006 CD PRO A 70 -0.471 -4.300 -6.998 1.00 0.00 C ATOM 0 HA PRO A 70 0.834 -6.475 -5.103 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.916 -5.682 -7.823 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.130 -7.182 -7.371 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.178 -5.376 -8.835 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.024 -6.288 -7.600 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.076 -3.430 -7.522 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.536 -4.125 -6.847 1.00 0.00 H new ATOM 1014 N ILE A 71 3.249 -6.268 -4.760 1.00 0.00 N ATOM 1015 CA ILE A 71 4.623 -6.048 -4.324 1.00 0.00 C ATOM 1016 C ILE A 71 5.533 -5.731 -5.508 1.00 0.00 C ATOM 1017 O ILE A 71 6.327 -4.792 -5.458 1.00 0.00 O ATOM 1018 CB ILE A 71 5.177 -7.273 -3.568 1.00 0.00 C ATOM 1019 CG1 ILE A 71 6.583 -6.983 -3.037 1.00 0.00 C ATOM 1020 CG2 ILE A 71 5.188 -8.498 -4.470 1.00 0.00 C ATOM 1021 CD1 ILE A 71 7.188 -8.135 -2.265 1.00 0.00 C ATOM 0 H ILE A 71 2.879 -7.192 -4.538 1.00 0.00 H new ATOM 0 HA ILE A 71 4.608 -5.194 -3.647 1.00 0.00 H new ATOM 0 HB ILE A 71 4.524 -7.479 -2.720 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.235 -6.736 -3.875 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.545 -6.105 -2.393 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.582 -9.352 -3.919 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.172 -8.716 -4.800 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.818 -8.305 -5.338 1.00 0.00 H new ATOM 0 HD11 ILE A 71 8.184 -7.858 -1.919 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.558 -8.369 -1.407 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.259 -9.009 -2.912 1.00 0.00 H new ATOM 1033 N HIS A 72 5.411 -6.517 -6.573 1.00 0.00 N ATOM 1034 CA HIS A 72 6.225 -6.315 -7.767 1.00 0.00 C ATOM 1035 C HIS A 72 5.935 -4.960 -8.408 1.00 0.00 C ATOM 1036 O HIS A 72 6.728 -4.460 -9.206 1.00 0.00 O ATOM 1037 CB HIS A 72 5.980 -7.436 -8.779 1.00 0.00 C ATOM 1038 CG HIS A 72 4.532 -7.759 -8.981 1.00 0.00 C ATOM 1039 ND1 HIS A 72 3.826 -8.646 -8.200 1.00 0.00 N ATOM 1040 CD2 HIS A 72 3.653 -7.292 -9.905 1.00 0.00 C ATOM 1041 CE1 HIS A 72 2.570 -8.694 -8.663 1.00 0.00 C ATOM 1042 NE2 HIS A 72 2.412 -7.889 -9.698 1.00 0.00 N ATOM 0 H HIS A 72 4.758 -7.298 -6.634 1.00 0.00 H new ATOM 0 HA HIS A 72 7.272 -6.334 -7.464 1.00 0.00 H new ATOM 0 HB2 HIS A 72 6.416 -7.151 -9.736 1.00 0.00 H new ATOM 0 HB3 HIS A 72 6.500 -8.334 -8.446 1.00 0.00 H new ATOM 0 HD2 HIS A 72 3.880 -6.572 -10.677 1.00 0.00 H new ATOM 0 HE1 HIS A 72 1.788 -9.311 -8.244 1.00 0.00 H new ATOM 0 HE2 HIS A 72 1.558 -7.736 -10.235 1.00 0.00 H new ATOM 1050 N LYS A 73 4.798 -4.366 -8.054 1.00 0.00 N ATOM 1051 CA LYS A 73 4.414 -3.069 -8.598 1.00 0.00 C ATOM 1052 C LYS A 73 4.791 -1.940 -7.644 1.00 0.00 C ATOM 1053 O LYS A 73 4.190 -0.866 -7.670 1.00 0.00 O ATOM 1054 CB LYS A 73 2.909 -3.035 -8.875 1.00 0.00 C ATOM 1055 CG LYS A 73 2.448 -4.098 -9.861 1.00 0.00 C ATOM 1056 CD LYS A 73 2.077 -3.490 -11.204 1.00 0.00 C ATOM 1057 CE LYS A 73 0.772 -2.713 -11.127 1.00 0.00 C ATOM 1058 NZ LYS A 73 -0.123 -3.013 -12.278 1.00 0.00 N ATOM 0 H LYS A 73 4.129 -4.762 -7.394 1.00 0.00 H new ATOM 0 HA LYS A 73 4.955 -2.923 -9.533 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.372 -3.165 -7.935 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.641 -2.052 -9.262 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.240 -4.834 -10.000 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.588 -4.628 -9.451 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.876 -2.828 -11.537 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.987 -4.280 -11.949 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.260 -2.956 -10.196 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.987 -1.645 -11.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -1.001 -2.463 -12.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.355 -2.758 -13.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.349 -4.028 -12.286 1.00 0.00 H new ATOM 1072 N VAL A 74 5.790 -2.187 -6.801 1.00 0.00 N ATOM 1073 CA VAL A 74 6.245 -1.188 -5.841 1.00 0.00 C ATOM 1074 C VAL A 74 7.683 -0.767 -6.125 1.00 0.00 C ATOM 1075 O VAL A 74 8.518 -1.590 -6.501 1.00 0.00 O ATOM 1076 CB VAL A 74 6.151 -1.713 -4.395 1.00 0.00 C ATOM 1077 CG1 VAL A 74 6.487 -0.610 -3.402 1.00 0.00 C ATOM 1078 CG2 VAL A 74 4.766 -2.282 -4.121 1.00 0.00 C ATOM 0 H VAL A 74 6.299 -3.070 -6.764 1.00 0.00 H new ATOM 0 HA VAL A 74 5.589 -0.325 -5.949 1.00 0.00 H new ATOM 0 HB VAL A 74 6.879 -2.515 -4.273 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.415 -1.000 -2.387 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.501 -0.254 -3.583 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.786 0.215 -3.524 1.00 0.00 H new ATOM 0 HG21 VAL A 74 4.719 -2.648 -3.095 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.018 -1.502 -4.263 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.568 -3.104 -4.809 1.00 0.00 H new ATOM 1088 N ILE A 75 7.964 0.519 -5.944 1.00 0.00 N ATOM 1089 CA ILE A 75 9.301 1.050 -6.181 1.00 0.00 C ATOM 1090 C ILE A 75 9.843 1.749 -4.939 1.00 0.00 C ATOM 1091 O ILE A 75 9.217 2.666 -4.407 1.00 0.00 O ATOM 1092 CB ILE A 75 9.311 2.042 -7.359 1.00 0.00 C ATOM 1093 CG1 ILE A 75 8.590 1.442 -8.568 1.00 0.00 C ATOM 1094 CG2 ILE A 75 10.739 2.422 -7.721 1.00 0.00 C ATOM 1095 CD1 ILE A 75 9.264 0.205 -9.119 1.00 0.00 C ATOM 0 H ILE A 75 7.284 1.213 -5.634 1.00 0.00 H new ATOM 0 HA ILE A 75 9.939 0.201 -6.425 1.00 0.00 H new ATOM 0 HB ILE A 75 8.781 2.945 -7.057 1.00 0.00 H new ATOM 0 HG12 ILE A 75 7.567 1.193 -8.285 1.00 0.00 H new ATOM 0 HG13 ILE A 75 8.529 2.194 -9.355 1.00 0.00 H new ATOM 0 HG21 ILE A 75 10.728 3.124 -8.555 1.00 0.00 H new ATOM 0 HG22 ILE A 75 11.221 2.888 -6.861 1.00 0.00 H new ATOM 0 HG23 ILE A 75 11.292 1.527 -8.006 1.00 0.00 H new ATOM 0 HD11 ILE A 75 8.699 -0.167 -9.974 1.00 0.00 H new ATOM 0 HD12 ILE A 75 10.278 0.453 -9.434 1.00 0.00 H new ATOM 0 HD13 ILE A 75 9.301 -0.564 -8.347 1.00 0.00 H new ATOM 1107 N ARG A 76 11.009 1.308 -4.480 1.00 0.00 N ATOM 1108 CA ARG A 76 11.636 1.891 -3.299 1.00 0.00 C ATOM 1109 C ARG A 76 12.142 3.300 -3.591 1.00 0.00 C ATOM 1110 O ARG A 76 12.802 3.536 -4.603 1.00 0.00 O ATOM 1111 CB ARG A 76 12.790 1.006 -2.819 1.00 0.00 C ATOM 1112 CG ARG A 76 12.714 0.656 -1.342 1.00 0.00 C ATOM 1113 CD ARG A 76 12.474 -0.831 -1.130 1.00 0.00 C ATOM 1114 NE ARG A 76 13.053 -1.306 0.123 1.00 0.00 N ATOM 1115 CZ ARG A 76 13.126 -2.590 0.467 1.00 0.00 C ATOM 1116 NH1 ARG A 76 12.657 -3.529 -0.346 1.00 0.00 N ATOM 1117 NH2 ARG A 76 13.670 -2.936 1.625 1.00 0.00 N ATOM 0 H ARG A 76 11.539 0.549 -4.908 1.00 0.00 H new ATOM 0 HA ARG A 76 10.885 1.953 -2.511 1.00 0.00 H new ATOM 0 HB2 ARG A 76 12.798 0.085 -3.402 1.00 0.00 H new ATOM 0 HB3 ARG A 76 13.733 1.515 -3.015 1.00 0.00 H new ATOM 0 HG2 ARG A 76 13.641 0.949 -0.850 1.00 0.00 H new ATOM 0 HG3 ARG A 76 11.911 1.225 -0.874 1.00 0.00 H new ATOM 0 HD2 ARG A 76 11.402 -1.029 -1.132 1.00 0.00 H new ATOM 0 HD3 ARG A 76 12.903 -1.390 -1.962 1.00 0.00 H new ATOM 0 HE ARG A 76 13.424 -0.613 0.773 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.238 -3.268 -1.239 1.00 0.00 H new ATOM 0 HH12 ARG A 76 12.715 -4.511 -0.078 1.00 0.00 H new ATOM 0 HH21 ARG A 76 14.033 -2.218 2.253 1.00 0.00 H new ATOM 0 HH22 ARG A 76 13.726 -3.920 1.889 1.00 0.00 H new ATOM 1131 N ILE A 77 11.830 4.233 -2.697 1.00 0.00 N ATOM 1132 CA ILE A 77 12.254 5.618 -2.859 1.00 0.00 C ATOM 1133 C ILE A 77 12.633 6.237 -1.519 1.00 0.00 C ATOM 1134 O ILE A 77 12.474 7.440 -1.311 1.00 0.00 O ATOM 1135 CB ILE A 77 11.150 6.472 -3.511 1.00 0.00 C ATOM 1136 CG1 ILE A 77 9.830 6.301 -2.757 1.00 0.00 C ATOM 1137 CG2 ILE A 77 10.983 6.094 -4.975 1.00 0.00 C ATOM 1138 CD1 ILE A 77 9.031 7.582 -2.641 1.00 0.00 C ATOM 0 H ILE A 77 11.285 4.055 -1.853 1.00 0.00 H new ATOM 0 HA ILE A 77 13.127 5.606 -3.512 1.00 0.00 H new ATOM 0 HB ILE A 77 11.443 7.520 -3.458 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.225 5.550 -3.265 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.038 5.920 -1.757 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.199 6.706 -5.422 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.921 6.263 -5.504 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.709 5.042 -5.050 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.108 7.387 -2.095 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.617 8.329 -2.107 1.00 0.00 H new ATOM 0 HD13 ILE A 77 8.792 7.953 -3.638 1.00 0.00 H new ATOM 1150 N GLY A 78 13.135 5.407 -0.610 1.00 0.00 N ATOM 1151 CA GLY A 78 13.528 5.892 0.700 1.00 0.00 C ATOM 1152 C GLY A 78 14.508 4.964 1.392 1.00 0.00 C ATOM 1153 O GLY A 78 14.237 4.470 2.487 1.00 0.00 O ATOM 0 H GLY A 78 13.277 4.408 -0.757 1.00 0.00 H new ATOM 0 HA2 GLY A 78 13.977 6.880 0.599 1.00 0.00 H new ATOM 0 HA3 GLY A 78 12.641 6.008 1.322 1.00 0.00 H new ATOM 1157 N SER A 79 15.648 4.726 0.752 1.00 0.00 N ATOM 1158 CA SER A 79 16.671 3.851 1.312 1.00 0.00 C ATOM 1159 C SER A 79 17.434 4.553 2.430 1.00 0.00 C ATOM 1160 O SER A 79 17.433 5.781 2.521 1.00 0.00 O ATOM 1161 CB SER A 79 17.643 3.403 0.220 1.00 0.00 C ATOM 1162 OG SER A 79 17.218 2.189 -0.377 1.00 0.00 O ATOM 0 H SER A 79 15.887 5.127 -0.155 1.00 0.00 H new ATOM 0 HA SER A 79 16.175 2.975 1.729 1.00 0.00 H new ATOM 0 HB2 SER A 79 17.721 4.179 -0.542 1.00 0.00 H new ATOM 0 HB3 SER A 79 18.638 3.273 0.646 1.00 0.00 H new ATOM 0 HG SER A 79 17.856 1.926 -1.073 1.00 0.00 H new ATOM 1168 N GLY A 80 18.084 3.766 3.282 1.00 0.00 N ATOM 1169 CA GLY A 80 18.842 4.329 4.383 1.00 0.00 C ATOM 1170 C GLY A 80 20.334 4.100 4.239 1.00 0.00 C ATOM 1171 O GLY A 80 20.903 3.252 4.927 1.00 0.00 O ATOM 0 H GLY A 80 18.099 2.747 3.229 1.00 0.00 H new ATOM 0 HA2 GLY A 80 18.646 5.400 4.444 1.00 0.00 H new ATOM 0 HA3 GLY A 80 18.499 3.888 5.319 1.00 0.00 H new ATOM 1175 N PRO A 81 21.003 4.848 3.344 1.00 0.00 N ATOM 1176 CA PRO A 81 22.446 4.712 3.122 1.00 0.00 C ATOM 1177 C PRO A 81 23.265 5.216 4.305 1.00 0.00 C ATOM 1178 O PRO A 81 23.003 6.294 4.839 1.00 0.00 O ATOM 1179 CB PRO A 81 22.700 5.580 1.887 1.00 0.00 C ATOM 1180 CG PRO A 81 21.601 6.584 1.898 1.00 0.00 C ATOM 1181 CD PRO A 81 20.405 5.884 2.480 1.00 0.00 C ATOM 0 HA PRO A 81 22.741 3.671 2.995 1.00 0.00 H new ATOM 0 HB2 PRO A 81 23.677 6.062 1.936 1.00 0.00 H new ATOM 0 HB3 PRO A 81 22.683 4.984 0.974 1.00 0.00 H new ATOM 0 HG2 PRO A 81 21.873 7.454 2.496 1.00 0.00 H new ATOM 0 HG3 PRO A 81 21.391 6.943 0.891 1.00 0.00 H new ATOM 0 HD2 PRO A 81 19.776 6.569 3.049 1.00 0.00 H new ATOM 0 HD3 PRO A 81 19.778 5.447 1.703 1.00 0.00 H new ATOM 1189 N SER A 82 24.256 4.430 4.710 1.00 0.00 N ATOM 1190 CA SER A 82 25.114 4.798 5.830 1.00 0.00 C ATOM 1191 C SER A 82 26.330 5.584 5.350 1.00 0.00 C ATOM 1192 O SER A 82 26.546 5.738 4.148 1.00 0.00 O ATOM 1193 CB SER A 82 25.567 3.546 6.586 1.00 0.00 C ATOM 1194 OG SER A 82 24.665 3.226 7.630 1.00 0.00 O ATOM 0 H SER A 82 24.485 3.534 4.280 1.00 0.00 H new ATOM 0 HA SER A 82 24.537 5.432 6.503 1.00 0.00 H new ATOM 0 HB2 SER A 82 25.640 2.707 5.895 1.00 0.00 H new ATOM 0 HB3 SER A 82 26.563 3.707 6.998 1.00 0.00 H new ATOM 0 HG SER A 82 24.976 2.422 8.096 1.00 0.00 H new ATOM 1200 N SER A 83 27.120 6.079 6.298 1.00 0.00 N ATOM 1201 CA SER A 83 28.315 6.849 5.971 1.00 0.00 C ATOM 1202 C SER A 83 29.533 6.303 6.707 1.00 0.00 C ATOM 1203 O SER A 83 29.887 6.785 7.784 1.00 0.00 O ATOM 1204 CB SER A 83 28.109 8.322 6.324 1.00 0.00 C ATOM 1205 OG SER A 83 28.724 9.168 5.366 1.00 0.00 O ATOM 0 H SER A 83 26.954 5.961 7.297 1.00 0.00 H new ATOM 0 HA SER A 83 28.492 6.760 4.899 1.00 0.00 H new ATOM 0 HB2 SER A 83 27.042 8.541 6.376 1.00 0.00 H new ATOM 0 HB3 SER A 83 28.524 8.524 7.312 1.00 0.00 H new ATOM 0 HG SER A 83 28.576 10.105 5.614 1.00 0.00 H new ATOM 1211 N GLY A 84 30.171 5.294 6.122 1.00 0.00 N ATOM 1212 CA GLY A 84 31.342 4.700 6.737 1.00 0.00 C ATOM 1213 C GLY A 84 31.992 3.653 5.855 1.00 0.00 C ATOM 1214 O GLY A 84 31.322 2.649 5.534 1.00 0.00 O ATOM 1215 OXT GLY A 84 33.171 3.835 5.486 1.00 0.00 O ATOM 0 H GLY A 84 29.897 4.877 5.232 1.00 0.00 H new ATOM 0 HA2 GLY A 84 32.067 5.482 6.961 1.00 0.00 H new ATOM 0 HA3 GLY A 84 31.059 4.246 7.687 1.00 0.00 H new TER 1219 GLY A 84