USER MOD reduce.3.24.130724 H: found=0, std=0, add=957, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 957 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 49 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 69 GLN : amide:sc= -0.539 K(o=-0.54,f=-1) USER MOD Set 2.1: A 17 GLN : amide:sc= -0.0763 X(o=-0.53,f=-0.59) USER MOD Set 2.2: A 108 HIS : no HD1:sc= -0.453 X(o=-0.53,f=-0.27) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0531 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= 0.00632 K(o=0.0063,f=-0.77) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.937 K(o=-0.94,f=-6.2!) USER MOD Single : A 33 SER OG : rot 41:sc= 0.201 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.357 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -28:sc= 0.437 USER MOD Single : A 57 SER OG : rot 135:sc= 0.876 USER MOD Single : A 62 SER OG : rot 180:sc= -0.0607 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.118 K(o=-0.12,f=-0.69) USER MOD Single : A 77 SER OG : rot 180:sc= 0.0935 USER MOD Single : A 80 ASN : amide:sc= -1.28 K(o=-1.3,f=-0.34!) USER MOD Single : A 83 HIS : no HD1:sc= -1.19 K(o=-1.2,f=-1.8) USER MOD Single : A 91 LYS NZ :NH3+ -108:sc= -0.389 (180deg=-1.55) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HE2:sc= -1.59 K(o=-1.6,f=-2.5!) USER MOD Single : A 99 THR OG1 : rot -160:sc= -0.0914 USER MOD Single : A 101 LYS NZ :NH3+ 150:sc= -1.05 (180deg=-1.89!) USER MOD Single : A 111 THR OG1 : rot 130:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot 61:sc= 0.366 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0.0116 USER MOD Single : A 127 SER OG : rot 21:sc= 0.393 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.833 -0.456 11.323 1.00 0.00 N ATOM 2 CA GLY A 1 -6.928 -0.341 12.325 1.00 0.00 C ATOM 3 C GLY A 1 -7.563 -1.680 12.646 1.00 0.00 C ATOM 4 O GLY A 1 -6.866 -2.648 12.947 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.432 0.485 11.138 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.090 -1.083 11.692 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.212 -0.851 10.439 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.534 0.099 13.241 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.692 0.339 11.948 1.00 0.00 H new ATOM 10 N SER A 2 -8.890 -1.733 12.582 1.00 0.00 N ATOM 11 CA SER A 2 -9.622 -2.963 12.869 1.00 0.00 C ATOM 12 C SER A 2 -9.423 -3.391 14.319 1.00 0.00 C ATOM 13 O SER A 2 -8.300 -3.410 14.824 1.00 0.00 O ATOM 14 CB SER A 2 -9.170 -4.083 11.929 1.00 0.00 C ATOM 15 OG SER A 2 -9.318 -3.700 10.572 1.00 0.00 O ATOM 0 H SER A 2 -9.480 -0.939 12.334 1.00 0.00 H new ATOM 0 HA SER A 2 -10.683 -2.769 12.709 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.128 -4.331 12.129 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.755 -4.983 12.122 1.00 0.00 H new ATOM 0 HG SER A 2 -9.021 -4.431 9.991 1.00 0.00 H new ATOM 21 N SER A 3 -10.522 -3.732 14.985 1.00 0.00 N ATOM 22 CA SER A 3 -10.468 -4.160 16.379 1.00 0.00 C ATOM 23 C SER A 3 -9.899 -3.058 17.265 1.00 0.00 C ATOM 24 O SER A 3 -9.618 -1.954 16.797 1.00 0.00 O ATOM 25 CB SER A 3 -9.621 -5.427 16.513 1.00 0.00 C ATOM 26 OG SER A 3 -9.683 -5.944 17.831 1.00 0.00 O ATOM 0 H SER A 3 -11.459 -3.720 14.583 1.00 0.00 H new ATOM 0 HA SER A 3 -11.485 -4.375 16.706 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.972 -6.179 15.807 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.586 -5.205 16.254 1.00 0.00 H new ATOM 0 HG SER A 3 -9.135 -6.754 17.891 1.00 0.00 H new ATOM 32 N GLY A 4 -9.730 -3.364 18.547 1.00 0.00 N ATOM 33 CA GLY A 4 -9.194 -2.388 19.478 1.00 0.00 C ATOM 34 C GLY A 4 -9.853 -2.466 20.842 1.00 0.00 C ATOM 35 O GLY A 4 -10.841 -3.177 21.022 1.00 0.00 O ATOM 0 H GLY A 4 -9.955 -4.270 18.958 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.121 -2.545 19.587 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.330 -1.387 19.069 1.00 0.00 H new ATOM 39 N SER A 5 -9.303 -1.732 21.805 1.00 0.00 N ATOM 40 CA SER A 5 -9.842 -1.720 23.159 1.00 0.00 C ATOM 41 C SER A 5 -9.588 -0.375 23.835 1.00 0.00 C ATOM 42 O SER A 5 -9.442 -0.301 25.055 1.00 0.00 O ATOM 43 CB SER A 5 -9.222 -2.848 23.986 1.00 0.00 C ATOM 44 OG SER A 5 -10.105 -3.953 24.085 1.00 0.00 O ATOM 0 H SER A 5 -8.484 -1.138 21.672 1.00 0.00 H new ATOM 0 HA SER A 5 -10.919 -1.875 23.097 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.286 -3.167 23.528 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.980 -2.481 24.984 1.00 0.00 H new ATOM 0 HG SER A 5 -9.685 -4.661 24.617 1.00 0.00 H new ATOM 50 N SER A 6 -9.538 0.684 23.034 1.00 0.00 N ATOM 51 CA SER A 6 -9.302 2.026 23.556 1.00 0.00 C ATOM 52 C SER A 6 -7.964 2.099 24.286 1.00 0.00 C ATOM 53 O SER A 6 -7.858 1.711 25.449 1.00 0.00 O ATOM 54 CB SER A 6 -10.434 2.435 24.500 1.00 0.00 C ATOM 55 OG SER A 6 -11.692 2.352 23.853 1.00 0.00 O ATOM 0 H SER A 6 -9.658 0.640 22.022 1.00 0.00 H new ATOM 0 HA SER A 6 -9.274 2.717 22.713 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.430 1.790 25.379 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.269 3.453 24.851 1.00 0.00 H new ATOM 0 HG SER A 6 -12.399 2.617 24.478 1.00 0.00 H new ATOM 61 N GLY A 7 -6.945 2.599 23.595 1.00 0.00 N ATOM 62 CA GLY A 7 -5.628 2.714 24.194 1.00 0.00 C ATOM 63 C GLY A 7 -4.765 3.751 23.503 1.00 0.00 C ATOM 64 O GLY A 7 -3.937 3.415 22.655 1.00 0.00 O ATOM 0 H GLY A 7 -7.008 2.927 22.631 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.733 2.976 25.247 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.129 1.746 24.155 1.00 0.00 H new ATOM 68 N ASP A 8 -4.955 5.015 23.866 1.00 0.00 N ATOM 69 CA ASP A 8 -4.187 6.105 23.276 1.00 0.00 C ATOM 70 C ASP A 8 -2.842 6.263 23.976 1.00 0.00 C ATOM 71 O ASP A 8 -2.665 7.155 24.806 1.00 0.00 O ATOM 72 CB ASP A 8 -4.975 7.413 23.355 1.00 0.00 C ATOM 73 CG ASP A 8 -5.877 7.620 22.155 1.00 0.00 C ATOM 74 OD1 ASP A 8 -5.346 7.819 21.041 1.00 0.00 O ATOM 75 OD2 ASP A 8 -7.113 7.583 22.327 1.00 0.00 O ATOM 0 H ASP A 8 -5.635 5.310 24.567 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.004 5.863 22.229 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.578 7.416 24.263 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.279 8.249 23.431 1.00 0.00 H new ATOM 80 N ARG A 9 -1.897 5.391 23.637 1.00 0.00 N ATOM 81 CA ARG A 9 -0.568 5.435 24.234 1.00 0.00 C ATOM 82 C ARG A 9 0.514 5.363 23.161 1.00 0.00 C ATOM 83 O ARG A 9 1.475 6.133 23.183 1.00 0.00 O ATOM 84 CB ARG A 9 -0.396 4.285 25.230 1.00 0.00 C ATOM 85 CG ARG A 9 0.202 4.716 26.559 1.00 0.00 C ATOM 86 CD ARG A 9 0.251 3.563 27.549 1.00 0.00 C ATOM 87 NE ARG A 9 0.166 4.025 28.933 1.00 0.00 N ATOM 88 CZ ARG A 9 0.520 3.288 29.983 1.00 0.00 C ATOM 89 NH1 ARG A 9 0.983 2.056 29.813 1.00 0.00 N ATOM 90 NH2 ARG A 9 0.410 3.784 31.207 1.00 0.00 N ATOM 0 H ARG A 9 -2.028 4.646 22.952 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.465 6.383 24.763 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.367 3.823 25.410 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.242 3.522 24.784 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.209 5.102 26.398 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.388 5.531 26.977 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.570 2.875 27.345 1.00 0.00 H new ATOM 0 HD3 ARG A 9 1.177 3.005 27.410 1.00 0.00 H new ATOM 0 HE ARG A 9 -0.185 4.967 29.104 1.00 0.00 H new ATOM 0 HH11 ARG A 9 1.069 1.669 28.873 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.253 1.496 30.622 1.00 0.00 H new ATOM 0 HH21 ARG A 9 0.054 4.730 31.344 1.00 0.00 H new ATOM 0 HH22 ARG A 9 0.681 3.220 32.012 1.00 0.00 H new ATOM 104 N ARG A 10 0.351 4.435 22.224 1.00 0.00 N ATOM 105 CA ARG A 10 1.313 4.264 21.142 1.00 0.00 C ATOM 106 C ARG A 10 0.999 5.202 19.980 1.00 0.00 C ATOM 107 O ARG A 10 1.759 6.125 19.691 1.00 0.00 O ATOM 108 CB ARG A 10 1.315 2.814 20.656 1.00 0.00 C ATOM 109 CG ARG A 10 2.424 2.507 19.662 1.00 0.00 C ATOM 110 CD ARG A 10 2.973 1.102 19.856 1.00 0.00 C ATOM 111 NE ARG A 10 3.937 0.743 18.819 1.00 0.00 N ATOM 112 CZ ARG A 10 3.597 0.348 17.594 1.00 0.00 C ATOM 113 NH1 ARG A 10 2.319 0.260 17.248 1.00 0.00 N ATOM 114 NH2 ARG A 10 4.538 0.041 16.712 1.00 0.00 N ATOM 0 H ARG A 10 -0.438 3.790 22.192 1.00 0.00 H new ATOM 0 HA ARG A 10 2.302 4.511 21.528 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.415 2.152 21.516 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.353 2.593 20.194 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.043 2.613 18.646 1.00 0.00 H new ATOM 0 HG3 ARG A 10 3.229 3.233 19.778 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.449 1.031 20.834 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.150 0.387 19.849 1.00 0.00 H new ATOM 0 HE ARG A 10 4.930 0.798 19.047 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.591 0.496 17.922 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.065 -0.043 16.308 1.00 0.00 H new ATOM 0 HH21 ARG A 10 5.522 0.107 16.972 1.00 0.00 H new ATOM 0 HH22 ARG A 10 4.278 -0.262 15.773 1.00 0.00 H new ATOM 128 N SER A 11 -0.126 4.956 19.317 1.00 0.00 N ATOM 129 CA SER A 11 -0.541 5.778 18.185 1.00 0.00 C ATOM 130 C SER A 11 0.494 5.725 17.066 1.00 0.00 C ATOM 131 O SER A 11 1.588 5.191 17.244 1.00 0.00 O ATOM 132 CB SER A 11 -0.754 7.225 18.631 1.00 0.00 C ATOM 133 OG SER A 11 -2.114 7.464 18.957 1.00 0.00 O ATOM 0 H SER A 11 -0.766 4.195 19.543 1.00 0.00 H new ATOM 0 HA SER A 11 -1.482 5.380 17.804 1.00 0.00 H new ATOM 0 HB2 SER A 11 -0.126 7.438 19.496 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.443 7.903 17.837 1.00 0.00 H new ATOM 0 HG SER A 11 -2.224 8.396 19.241 1.00 0.00 H new ATOM 139 N THR A 12 0.139 6.281 15.912 1.00 0.00 N ATOM 140 CA THR A 12 1.036 6.298 14.762 1.00 0.00 C ATOM 141 C THR A 12 1.348 7.729 14.336 1.00 0.00 C ATOM 142 O THR A 12 2.484 8.189 14.453 1.00 0.00 O ATOM 143 CB THR A 12 0.417 5.528 13.595 1.00 0.00 C ATOM 144 OG1 THR A 12 -0.474 4.532 14.067 1.00 0.00 O ATOM 145 CG2 THR A 12 1.444 4.845 12.717 1.00 0.00 C ATOM 0 H THR A 12 -0.764 6.726 15.748 1.00 0.00 H new ATOM 0 HA THR A 12 1.969 5.814 15.053 1.00 0.00 H new ATOM 0 HB THR A 12 -0.106 6.277 13.000 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.861 4.052 13.305 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.938 4.317 11.909 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.118 5.592 12.297 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.017 4.134 13.312 1.00 0.00 H new ATOM 153 N LEU A 13 0.333 8.427 13.839 1.00 0.00 N ATOM 154 CA LEU A 13 0.498 9.806 13.396 1.00 0.00 C ATOM 155 C LEU A 13 -0.644 10.682 13.902 1.00 0.00 C ATOM 156 O LEU A 13 -1.795 10.508 13.503 1.00 0.00 O ATOM 157 CB LEU A 13 0.565 9.869 11.868 1.00 0.00 C ATOM 158 CG LEU A 13 1.614 8.956 11.228 1.00 0.00 C ATOM 159 CD1 LEU A 13 0.964 7.690 10.691 1.00 0.00 C ATOM 160 CD2 LEU A 13 2.353 9.690 10.117 1.00 0.00 C ATOM 0 H LEU A 13 -0.613 8.060 13.733 1.00 0.00 H new ATOM 0 HA LEU A 13 1.433 10.184 13.810 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.414 9.610 11.465 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.770 10.897 11.570 1.00 0.00 H new ATOM 0 HG LEU A 13 2.337 8.673 11.993 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.725 7.053 10.240 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.481 7.154 11.508 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.220 7.954 9.940 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.095 9.026 9.673 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.642 10.003 9.352 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.852 10.567 10.529 1.00 0.00 H new ATOM 172 N HIS A 14 -0.317 11.622 14.782 1.00 0.00 N ATOM 173 CA HIS A 14 -1.315 12.525 15.343 1.00 0.00 C ATOM 174 C HIS A 14 -1.750 13.562 14.313 1.00 0.00 C ATOM 175 O HIS A 14 -2.889 13.547 13.845 1.00 0.00 O ATOM 176 CB HIS A 14 -0.762 13.223 16.586 1.00 0.00 C ATOM 177 CG HIS A 14 -0.274 12.276 17.638 1.00 0.00 C ATOM 178 ND1 HIS A 14 0.934 11.614 17.553 1.00 0.00 N ATOM 179 CD2 HIS A 14 -0.836 11.879 18.803 1.00 0.00 C ATOM 180 CE1 HIS A 14 1.092 10.852 18.619 1.00 0.00 C ATOM 181 NE2 HIS A 14 0.032 10.994 19.394 1.00 0.00 N ATOM 0 H HIS A 14 0.632 11.778 15.122 1.00 0.00 H new ATOM 0 HA HIS A 14 -2.186 11.933 15.626 1.00 0.00 H new ATOM 0 HB2 HIS A 14 0.058 13.878 16.290 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -1.539 13.857 17.012 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -1.790 12.199 19.195 1.00 0.00 H new ATOM 0 HE1 HIS A 14 1.943 10.220 18.823 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -0.118 10.523 20.286 1.00 0.00 H new ATOM 190 N LEU A 15 -0.836 14.463 13.966 1.00 0.00 N ATOM 191 CA LEU A 15 -1.125 15.509 12.992 1.00 0.00 C ATOM 192 C LEU A 15 0.130 15.889 12.213 1.00 0.00 C ATOM 193 O LEU A 15 0.944 16.685 12.680 1.00 0.00 O ATOM 194 CB LEU A 15 -1.700 16.742 13.692 1.00 0.00 C ATOM 195 CG LEU A 15 -3.223 16.759 13.826 1.00 0.00 C ATOM 196 CD1 LEU A 15 -3.659 17.822 14.823 1.00 0.00 C ATOM 197 CD2 LEU A 15 -3.874 16.997 12.471 1.00 0.00 C ATOM 0 H LEU A 15 0.111 14.489 14.345 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.863 15.123 12.289 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.262 16.813 14.688 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.389 17.631 13.143 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.547 15.787 14.197 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.746 17.820 14.905 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.221 17.608 15.798 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.323 18.801 14.481 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.958 17.006 12.585 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.543 17.956 12.072 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.588 16.200 11.785 1.00 0.00 H new ATOM 209 N LEU A 16 0.277 15.316 11.022 1.00 0.00 N ATOM 210 CA LEU A 16 1.433 15.595 10.178 1.00 0.00 C ATOM 211 C LEU A 16 1.095 16.648 9.126 1.00 0.00 C ATOM 212 O LEU A 16 1.954 17.430 8.718 1.00 0.00 O ATOM 213 CB LEU A 16 1.917 14.310 9.501 1.00 0.00 C ATOM 214 CG LEU A 16 3.309 13.841 9.927 1.00 0.00 C ATOM 215 CD1 LEU A 16 4.346 14.917 9.641 1.00 0.00 C ATOM 216 CD2 LEU A 16 3.316 13.470 11.403 1.00 0.00 C ATOM 0 H LEU A 16 -0.389 14.656 10.620 1.00 0.00 H new ATOM 0 HA LEU A 16 2.231 15.985 10.810 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.202 13.515 9.711 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.916 14.463 8.422 1.00 0.00 H new ATOM 0 HG LEU A 16 3.567 12.954 9.348 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.330 14.565 9.951 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.358 15.136 8.573 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.093 15.822 10.194 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.314 13.138 11.690 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.037 14.340 11.998 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.602 12.666 11.579 1.00 0.00 H new ATOM 228 N GLN A 17 -0.161 16.661 8.691 1.00 0.00 N ATOM 229 CA GLN A 17 -0.613 17.617 7.687 1.00 0.00 C ATOM 230 C GLN A 17 -1.998 18.154 8.033 1.00 0.00 C ATOM 231 O GLN A 17 -2.578 17.793 9.057 1.00 0.00 O ATOM 232 CB GLN A 17 -0.636 16.963 6.304 1.00 0.00 C ATOM 233 CG GLN A 17 0.657 17.143 5.524 1.00 0.00 C ATOM 234 CD GLN A 17 0.466 17.948 4.253 1.00 0.00 C ATOM 235 OE1 GLN A 17 -0.497 17.745 3.514 1.00 0.00 O ATOM 236 NE2 GLN A 17 1.387 18.868 3.992 1.00 0.00 N ATOM 0 H GLN A 17 -0.884 16.020 9.018 1.00 0.00 H new ATOM 0 HA GLN A 17 0.087 18.452 7.674 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -0.836 15.898 6.418 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -1.460 17.382 5.727 1.00 0.00 H new ATOM 0 HG2 GLN A 17 1.392 17.640 6.157 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.064 16.164 5.271 1.00 0.00 H new ATOM 0 HE21 GLN A 17 2.169 19.003 4.633 1.00 0.00 H new ATOM 0 HE22 GLN A 17 1.312 19.440 3.151 1.00 0.00 H new ATOM 245 N GLY A 18 -2.523 19.020 7.171 1.00 0.00 N ATOM 246 CA GLY A 18 -3.835 19.593 7.403 1.00 0.00 C ATOM 247 C GLY A 18 -4.925 18.881 6.625 1.00 0.00 C ATOM 248 O GLY A 18 -5.880 19.507 6.165 1.00 0.00 O ATOM 0 H GLY A 18 -2.063 19.334 6.317 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.064 19.548 8.468 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.823 20.647 7.124 1.00 0.00 H new ATOM 252 N GLY A 19 -4.782 17.567 6.478 1.00 0.00 N ATOM 253 CA GLY A 19 -5.768 16.790 5.751 1.00 0.00 C ATOM 254 C GLY A 19 -6.173 15.529 6.489 1.00 0.00 C ATOM 255 O GLY A 19 -5.854 15.361 7.665 1.00 0.00 O ATOM 0 H GLY A 19 -4.000 17.027 6.850 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -6.651 17.404 5.575 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.366 16.522 4.774 1.00 0.00 H new ATOM 259 N ASP A 20 -6.877 14.640 5.794 1.00 0.00 N ATOM 260 CA ASP A 20 -7.327 13.387 6.391 1.00 0.00 C ATOM 261 C ASP A 20 -6.768 12.190 5.628 1.00 0.00 C ATOM 262 O ASP A 20 -6.351 12.314 4.477 1.00 0.00 O ATOM 263 CB ASP A 20 -8.856 13.327 6.407 1.00 0.00 C ATOM 264 CG ASP A 20 -9.380 12.204 7.282 1.00 0.00 C ATOM 265 OD1 ASP A 20 -9.358 12.357 8.521 1.00 0.00 O ATOM 266 OD2 ASP A 20 -9.814 11.172 6.727 1.00 0.00 O ATOM 0 H ASP A 20 -7.148 14.764 4.818 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.957 13.347 7.416 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.251 14.278 6.765 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.223 13.193 5.389 1.00 0.00 H new ATOM 271 N GLU A 21 -6.762 11.031 6.279 1.00 0.00 N ATOM 272 CA GLU A 21 -6.255 9.811 5.662 1.00 0.00 C ATOM 273 C GLU A 21 -7.382 9.029 4.993 1.00 0.00 C ATOM 274 O GLU A 21 -8.362 8.659 5.638 1.00 0.00 O ATOM 275 CB GLU A 21 -5.561 8.937 6.710 1.00 0.00 C ATOM 276 CG GLU A 21 -4.046 9.058 6.697 1.00 0.00 C ATOM 277 CD GLU A 21 -3.533 10.066 7.706 1.00 0.00 C ATOM 278 OE1 GLU A 21 -4.259 11.041 7.992 1.00 0.00 O ATOM 279 OE2 GLU A 21 -2.405 9.881 8.210 1.00 0.00 O ATOM 0 H GLU A 21 -7.102 10.911 7.233 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.532 10.093 4.897 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.930 9.208 7.699 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.835 7.896 6.542 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.606 8.083 6.907 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.717 9.348 5.699 1.00 0.00 H new ATOM 286 N LYS A 22 -7.235 8.784 3.696 1.00 0.00 N ATOM 287 CA LYS A 22 -8.239 8.047 2.938 1.00 0.00 C ATOM 288 C LYS A 22 -7.854 6.577 2.808 1.00 0.00 C ATOM 289 O LYS A 22 -6.779 6.250 2.302 1.00 0.00 O ATOM 290 CB LYS A 22 -8.417 8.665 1.550 1.00 0.00 C ATOM 291 CG LYS A 22 -9.540 8.034 0.743 1.00 0.00 C ATOM 292 CD LYS A 22 -9.565 8.561 -0.682 1.00 0.00 C ATOM 293 CE LYS A 22 -9.913 7.466 -1.676 1.00 0.00 C ATOM 294 NZ LYS A 22 -11.358 7.478 -2.033 1.00 0.00 N ATOM 0 H LYS A 22 -6.430 9.085 3.147 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.183 8.109 3.479 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.614 9.732 1.659 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.483 8.568 0.996 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.416 6.951 0.730 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.496 8.239 1.225 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.293 9.369 -0.759 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.592 8.984 -0.931 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.315 7.592 -2.579 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.652 6.496 -1.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.554 6.716 -2.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.929 7.332 -1.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.603 8.394 -2.460 1.00 0.00 H new ATOM 308 N LYS A 23 -8.736 5.695 3.267 1.00 0.00 N ATOM 309 CA LYS A 23 -8.486 4.260 3.201 1.00 0.00 C ATOM 310 C LYS A 23 -9.327 3.612 2.105 1.00 0.00 C ATOM 311 O LYS A 23 -10.511 3.915 1.955 1.00 0.00 O ATOM 312 CB LYS A 23 -8.790 3.606 4.552 1.00 0.00 C ATOM 313 CG LYS A 23 -7.559 3.048 5.247 1.00 0.00 C ATOM 314 CD LYS A 23 -7.643 3.221 6.756 1.00 0.00 C ATOM 315 CE LYS A 23 -8.057 1.930 7.442 1.00 0.00 C ATOM 316 NZ LYS A 23 -9.448 1.534 7.092 1.00 0.00 N ATOM 0 H LYS A 23 -9.630 5.949 3.688 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.433 4.109 2.962 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.264 4.340 5.204 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.510 2.801 4.403 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.453 1.990 5.007 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.668 3.552 4.871 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.676 3.545 7.141 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.360 4.007 6.994 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.371 1.132 7.158 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.975 2.051 8.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.690 0.649 7.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.107 2.283 7.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.521 1.393 6.064 1.00 0.00 H new ATOM 330 N VAL A 24 -8.706 2.719 1.342 1.00 0.00 N ATOM 331 CA VAL A 24 -9.396 2.026 0.259 1.00 0.00 C ATOM 332 C VAL A 24 -9.216 0.518 0.370 1.00 0.00 C ATOM 333 O VAL A 24 -8.277 -0.049 -0.189 1.00 0.00 O ATOM 334 CB VAL A 24 -8.897 2.490 -1.124 1.00 0.00 C ATOM 335 CG1 VAL A 24 -9.644 3.737 -1.570 1.00 0.00 C ATOM 336 CG2 VAL A 24 -7.395 2.738 -1.102 1.00 0.00 C ATOM 0 H VAL A 24 -7.726 2.458 1.453 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.453 2.274 0.354 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.097 1.696 -1.844 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -9.278 4.050 -2.548 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -10.710 3.519 -1.634 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -9.480 4.537 -0.848 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -7.066 3.064 -2.088 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -7.164 3.511 -0.368 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -6.878 1.817 -0.833 1.00 0.00 H new ATOM 346 N ASN A 25 -10.123 -0.129 1.095 1.00 0.00 N ATOM 347 CA ASN A 25 -10.065 -1.574 1.278 1.00 0.00 C ATOM 348 C ASN A 25 -10.609 -2.299 0.051 1.00 0.00 C ATOM 349 O ASN A 25 -11.822 -2.423 -0.122 1.00 0.00 O ATOM 350 CB ASN A 25 -10.859 -1.984 2.520 1.00 0.00 C ATOM 351 CG ASN A 25 -12.315 -1.569 2.440 1.00 0.00 C ATOM 352 OD1 ASN A 25 -12.693 -0.747 1.605 1.00 0.00 O ATOM 353 ND2 ASN A 25 -13.141 -2.137 3.311 1.00 0.00 N ATOM 0 H ASN A 25 -10.906 0.325 1.565 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.021 -1.857 1.413 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.799 -3.065 2.645 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.404 -1.535 3.403 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -14.132 -1.897 3.305 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -12.784 -2.814 3.986 1.00 0.00 H new ATOM 360 N LEU A 26 -9.705 -2.775 -0.798 1.00 0.00 N ATOM 361 CA LEU A 26 -10.093 -3.487 -2.009 1.00 0.00 C ATOM 362 C LEU A 26 -9.774 -4.974 -1.891 1.00 0.00 C ATOM 363 O LEU A 26 -8.648 -5.354 -1.574 1.00 0.00 O ATOM 364 CB LEU A 26 -9.379 -2.893 -3.225 1.00 0.00 C ATOM 365 CG LEU A 26 -9.733 -1.438 -3.536 1.00 0.00 C ATOM 366 CD1 LEU A 26 -8.776 -0.867 -4.571 1.00 0.00 C ATOM 367 CD2 LEU A 26 -11.171 -1.331 -4.020 1.00 0.00 C ATOM 0 H LEU A 26 -8.698 -2.680 -0.669 1.00 0.00 H new ATOM 0 HA LEU A 26 -11.169 -3.375 -2.139 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.303 -2.963 -3.066 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -9.612 -3.502 -4.098 1.00 0.00 H new ATOM 0 HG LEU A 26 -9.635 -0.856 -2.620 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.042 0.169 -4.780 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.757 -0.909 -4.187 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.842 -1.451 -5.489 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.405 -0.289 -4.236 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -11.296 -1.926 -4.924 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.844 -1.701 -3.246 1.00 0.00 H new ATOM 379 N VAL A 27 -10.774 -5.810 -2.149 1.00 0.00 N ATOM 380 CA VAL A 27 -10.601 -7.256 -2.071 1.00 0.00 C ATOM 381 C VAL A 27 -10.398 -7.862 -3.455 1.00 0.00 C ATOM 382 O VAL A 27 -11.203 -7.648 -4.361 1.00 0.00 O ATOM 383 CB VAL A 27 -11.812 -7.930 -1.400 1.00 0.00 C ATOM 384 CG1 VAL A 27 -11.530 -9.403 -1.143 1.00 0.00 C ATOM 385 CG2 VAL A 27 -12.172 -7.215 -0.106 1.00 0.00 C ATOM 0 H VAL A 27 -11.713 -5.511 -2.414 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.712 -7.436 -1.466 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.664 -7.860 -2.076 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.397 -9.862 -0.668 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.326 -9.905 -2.089 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.665 -9.499 -0.487 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.030 -7.705 0.354 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -11.324 -7.251 0.578 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -12.420 -6.176 -0.321 1.00 0.00 H new ATOM 395 N LEU A 28 -9.319 -8.624 -3.609 1.00 0.00 N ATOM 396 CA LEU A 28 -9.011 -9.264 -4.882 1.00 0.00 C ATOM 397 C LEU A 28 -9.225 -10.773 -4.794 1.00 0.00 C ATOM 398 O LEU A 28 -9.753 -11.278 -3.804 1.00 0.00 O ATOM 399 CB LEU A 28 -7.568 -8.963 -5.291 1.00 0.00 C ATOM 400 CG LEU A 28 -7.184 -7.481 -5.268 1.00 0.00 C ATOM 401 CD1 LEU A 28 -5.717 -7.305 -5.627 1.00 0.00 C ATOM 402 CD2 LEU A 28 -8.070 -6.685 -6.217 1.00 0.00 C ATOM 0 H LEU A 28 -8.644 -8.813 -2.868 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.685 -8.862 -5.638 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.897 -9.507 -4.626 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.403 -9.350 -6.297 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.337 -7.100 -4.258 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.462 -6.246 -5.606 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.099 -7.842 -4.907 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.537 -7.702 -6.626 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.783 -5.634 -6.187 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.951 -7.065 -7.231 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.112 -6.785 -5.912 1.00 0.00 H new ATOM 414 N GLY A 29 -8.812 -11.487 -5.837 1.00 0.00 N ATOM 415 CA GLY A 29 -8.970 -12.930 -5.854 1.00 0.00 C ATOM 416 C GLY A 29 -7.701 -13.649 -6.268 1.00 0.00 C ATOM 417 O GLY A 29 -7.747 -14.613 -7.032 1.00 0.00 O ATOM 0 H GLY A 29 -8.372 -11.093 -6.669 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.270 -13.271 -4.863 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.774 -13.196 -6.540 1.00 0.00 H new ATOM 421 N ASP A 30 -6.564 -13.183 -5.760 1.00 0.00 N ATOM 422 CA ASP A 30 -5.277 -13.790 -6.081 1.00 0.00 C ATOM 423 C ASP A 30 -5.029 -13.778 -7.587 1.00 0.00 C ATOM 424 O ASP A 30 -4.370 -14.668 -8.125 1.00 0.00 O ATOM 425 CB ASP A 30 -5.224 -15.226 -5.552 1.00 0.00 C ATOM 426 CG ASP A 30 -4.117 -15.429 -4.535 1.00 0.00 C ATOM 427 OD1 ASP A 30 -3.696 -14.433 -3.911 1.00 0.00 O ATOM 428 OD2 ASP A 30 -3.671 -16.583 -4.365 1.00 0.00 O ATOM 0 H ASP A 30 -6.508 -12.387 -5.125 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.494 -13.203 -5.600 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.182 -15.478 -5.097 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.077 -15.912 -6.386 1.00 0.00 H new ATOM 433 N GLY A 31 -5.564 -12.765 -8.259 1.00 0.00 N ATOM 434 CA GLY A 31 -5.391 -12.656 -9.695 1.00 0.00 C ATOM 435 C GLY A 31 -5.609 -11.243 -10.199 1.00 0.00 C ATOM 436 O GLY A 31 -4.867 -10.759 -11.053 1.00 0.00 O ATOM 0 H GLY A 31 -6.114 -12.018 -7.835 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -4.386 -12.983 -9.963 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.089 -13.328 -10.194 1.00 0.00 H new ATOM 440 N ARG A 32 -6.632 -10.579 -9.669 1.00 0.00 N ATOM 441 CA ARG A 32 -6.947 -9.213 -10.070 1.00 0.00 C ATOM 442 C ARG A 32 -5.759 -8.287 -9.828 1.00 0.00 C ATOM 443 O ARG A 32 -4.661 -8.742 -9.507 1.00 0.00 O ATOM 444 CB ARG A 32 -8.169 -8.704 -9.304 1.00 0.00 C ATOM 445 CG ARG A 32 -9.339 -9.675 -9.310 1.00 0.00 C ATOM 446 CD ARG A 32 -10.664 -8.951 -9.492 1.00 0.00 C ATOM 447 NE ARG A 32 -11.087 -8.925 -10.890 1.00 0.00 N ATOM 448 CZ ARG A 32 -12.231 -8.389 -11.310 1.00 0.00 C ATOM 449 NH1 ARG A 32 -13.069 -7.834 -10.442 1.00 0.00 N ATOM 450 NH2 ARG A 32 -12.538 -8.407 -12.599 1.00 0.00 N ATOM 0 H ARG A 32 -7.256 -10.965 -8.961 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.170 -9.216 -11.137 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.882 -8.500 -8.272 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.491 -7.757 -9.738 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.207 -10.401 -10.112 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.354 -10.234 -8.374 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -11.430 -9.441 -8.891 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.573 -7.930 -9.122 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.469 -9.342 -11.586 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -12.837 -7.817 -9.449 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -13.944 -7.425 -10.769 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.898 -8.832 -13.270 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.415 -7.996 -12.920 1.00 0.00 H new ATOM 464 N SER A 33 -5.986 -6.987 -9.983 1.00 0.00 N ATOM 465 CA SER A 33 -4.933 -5.998 -9.781 1.00 0.00 C ATOM 466 C SER A 33 -5.518 -4.593 -9.688 1.00 0.00 C ATOM 467 O SER A 33 -6.537 -4.290 -10.309 1.00 0.00 O ATOM 468 CB SER A 33 -3.916 -6.066 -10.921 1.00 0.00 C ATOM 469 OG SER A 33 -2.855 -6.951 -10.606 1.00 0.00 O ATOM 0 H SER A 33 -6.889 -6.594 -10.248 1.00 0.00 H new ATOM 0 HA SER A 33 -4.430 -6.225 -8.841 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.410 -6.397 -11.834 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.517 -5.071 -11.117 1.00 0.00 H new ATOM 0 HG SER A 33 -3.215 -7.749 -10.166 1.00 0.00 H new ATOM 475 N LEU A 34 -4.863 -3.737 -8.909 1.00 0.00 N ATOM 476 CA LEU A 34 -5.318 -2.362 -8.736 1.00 0.00 C ATOM 477 C LEU A 34 -5.303 -1.612 -10.063 1.00 0.00 C ATOM 478 O LEU A 34 -6.171 -0.779 -10.326 1.00 0.00 O ATOM 479 CB LEU A 34 -4.435 -1.637 -7.717 1.00 0.00 C ATOM 480 CG LEU A 34 -4.248 -2.367 -6.386 1.00 0.00 C ATOM 481 CD1 LEU A 34 -2.875 -2.068 -5.803 1.00 0.00 C ATOM 482 CD2 LEU A 34 -5.342 -1.974 -5.405 1.00 0.00 C ATOM 0 H LEU A 34 -4.017 -3.971 -8.389 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.343 -2.388 -8.367 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.455 -1.470 -8.163 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.866 -0.656 -7.518 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.318 -3.439 -6.568 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.759 -2.595 -4.856 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.104 -2.398 -6.499 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.777 -0.995 -5.635 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.194 -2.503 -4.463 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.303 -0.899 -5.228 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.315 -2.238 -5.820 1.00 0.00 H new ATOM 494 N GLY A 35 -4.311 -1.911 -10.895 1.00 0.00 N ATOM 495 CA GLY A 35 -4.202 -1.256 -12.185 1.00 0.00 C ATOM 496 C GLY A 35 -3.717 0.175 -12.066 1.00 0.00 C ATOM 497 O GLY A 35 -4.350 1.098 -12.579 1.00 0.00 O ATOM 0 H GLY A 35 -3.581 -2.595 -10.699 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.516 -1.818 -12.818 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.174 -1.268 -12.679 1.00 0.00 H new ATOM 501 N LEU A 36 -2.590 0.360 -11.386 1.00 0.00 N ATOM 502 CA LEU A 36 -2.019 1.689 -11.198 1.00 0.00 C ATOM 503 C LEU A 36 -0.523 1.685 -11.492 1.00 0.00 C ATOM 504 O LEU A 36 0.126 0.640 -11.450 1.00 0.00 O ATOM 505 CB LEU A 36 -2.269 2.177 -9.770 1.00 0.00 C ATOM 506 CG LEU A 36 -3.712 2.038 -9.282 1.00 0.00 C ATOM 507 CD1 LEU A 36 -3.746 1.795 -7.781 1.00 0.00 C ATOM 508 CD2 LEU A 36 -4.517 3.277 -9.642 1.00 0.00 C ATOM 0 H LEU A 36 -2.054 -0.394 -10.956 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.506 2.369 -11.897 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.618 1.623 -9.094 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.979 3.226 -9.705 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.163 1.179 -9.779 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.780 1.699 -7.451 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.204 0.878 -7.548 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.278 2.634 -7.266 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.541 3.161 -9.287 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.067 4.152 -9.173 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.520 3.407 -10.724 1.00 0.00 H new ATOM 520 N THR A 37 0.020 2.862 -11.790 1.00 0.00 N ATOM 521 CA THR A 37 1.441 2.994 -12.092 1.00 0.00 C ATOM 522 C THR A 37 2.148 3.823 -11.025 1.00 0.00 C ATOM 523 O THR A 37 2.253 5.044 -11.142 1.00 0.00 O ATOM 524 CB THR A 37 1.634 3.638 -13.466 1.00 0.00 C ATOM 525 OG1 THR A 37 0.834 2.991 -14.439 1.00 0.00 O ATOM 526 CG2 THR A 37 3.068 3.597 -13.949 1.00 0.00 C ATOM 0 H THR A 37 -0.502 3.737 -11.829 1.00 0.00 H new ATOM 0 HA THR A 37 1.880 1.996 -12.102 1.00 0.00 H new ATOM 0 HB THR A 37 1.339 4.680 -13.342 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.970 3.418 -15.311 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.136 4.070 -14.929 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.705 4.131 -13.244 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.398 2.561 -14.023 1.00 0.00 H new ATOM 534 N ILE A 38 2.631 3.151 -9.985 1.00 0.00 N ATOM 535 CA ILE A 38 3.329 3.827 -8.896 1.00 0.00 C ATOM 536 C ILE A 38 4.687 4.346 -9.354 1.00 0.00 C ATOM 537 O ILE A 38 5.179 3.974 -10.418 1.00 0.00 O ATOM 538 CB ILE A 38 3.530 2.889 -7.691 1.00 0.00 C ATOM 539 CG1 ILE A 38 4.258 1.615 -8.122 1.00 0.00 C ATOM 540 CG2 ILE A 38 2.191 2.550 -7.053 1.00 0.00 C ATOM 541 CD1 ILE A 38 5.031 0.952 -7.003 1.00 0.00 C ATOM 0 H ILE A 38 2.552 2.140 -9.873 1.00 0.00 H new ATOM 0 HA ILE A 38 2.705 4.668 -8.592 1.00 0.00 H new ATOM 0 HB ILE A 38 4.144 3.402 -6.951 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.530 0.907 -8.519 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.944 1.856 -8.934 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.351 1.886 -6.203 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.708 3.466 -6.713 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.554 2.054 -7.786 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.522 0.055 -7.381 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.783 1.643 -6.621 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.347 0.680 -6.200 1.00 0.00 H new ATOM 553 N ARG A 39 5.289 5.209 -8.542 1.00 0.00 N ATOM 554 CA ARG A 39 6.592 5.780 -8.863 1.00 0.00 C ATOM 555 C ARG A 39 7.486 5.824 -7.629 1.00 0.00 C ATOM 556 O ARG A 39 7.067 5.450 -6.533 1.00 0.00 O ATOM 557 CB ARG A 39 6.427 7.188 -9.438 1.00 0.00 C ATOM 558 CG ARG A 39 5.455 7.258 -10.606 1.00 0.00 C ATOM 559 CD ARG A 39 6.069 7.971 -11.802 1.00 0.00 C ATOM 560 NE ARG A 39 7.303 7.329 -12.248 1.00 0.00 N ATOM 561 CZ ARG A 39 7.844 7.517 -13.449 1.00 0.00 C ATOM 562 NH1 ARG A 39 7.264 8.326 -14.326 1.00 0.00 N ATOM 563 NH2 ARG A 39 8.970 6.895 -13.773 1.00 0.00 N ATOM 0 H ARG A 39 4.895 5.528 -7.657 1.00 0.00 H new ATOM 0 HA ARG A 39 7.066 5.143 -9.610 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.082 7.856 -8.649 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.400 7.555 -9.764 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.159 6.250 -10.895 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.549 7.779 -10.296 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.351 7.986 -12.622 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.275 9.009 -11.539 1.00 0.00 H new ATOM 0 HE ARG A 39 7.778 6.700 -11.601 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.399 8.808 -14.081 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.683 8.466 -15.245 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.420 6.273 -13.102 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.385 7.039 -14.693 1.00 0.00 H new ATOM 577 N GLY A 40 8.719 6.282 -7.813 1.00 0.00 N ATOM 578 CA GLY A 40 9.652 6.365 -6.706 1.00 0.00 C ATOM 579 C GLY A 40 9.945 5.011 -6.091 1.00 0.00 C ATOM 580 O GLY A 40 9.699 3.976 -6.709 1.00 0.00 O ATOM 0 H GLY A 40 9.089 6.597 -8.710 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.584 6.812 -7.053 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.246 7.027 -5.942 1.00 0.00 H new ATOM 584 N GLY A 41 10.469 5.019 -4.870 1.00 0.00 N ATOM 585 CA GLY A 41 10.786 3.775 -4.192 1.00 0.00 C ATOM 586 C GLY A 41 11.989 3.902 -3.278 1.00 0.00 C ATOM 587 O GLY A 41 12.506 5.001 -3.072 1.00 0.00 O ATOM 0 H GLY A 41 10.680 5.863 -4.338 1.00 0.00 H new ATOM 0 HA2 GLY A 41 9.923 3.453 -3.609 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.977 2.999 -4.934 1.00 0.00 H new ATOM 591 N ALA A 42 12.434 2.777 -2.729 1.00 0.00 N ATOM 592 CA ALA A 42 13.583 2.768 -1.832 1.00 0.00 C ATOM 593 C ALA A 42 14.891 2.795 -2.616 1.00 0.00 C ATOM 594 O ALA A 42 15.871 3.404 -2.186 1.00 0.00 O ATOM 595 CB ALA A 42 13.533 1.548 -0.925 1.00 0.00 C ATOM 0 H ALA A 42 12.017 1.860 -2.889 1.00 0.00 H new ATOM 0 HA ALA A 42 13.541 3.667 -1.216 1.00 0.00 H new ATOM 0 HB1 ALA A 42 14.397 1.553 -0.260 1.00 0.00 H new ATOM 0 HB2 ALA A 42 12.619 1.573 -0.332 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.548 0.643 -1.532 1.00 0.00 H new ATOM 601 N GLU A 43 14.899 2.131 -3.766 1.00 0.00 N ATOM 602 CA GLU A 43 16.087 2.079 -4.611 1.00 0.00 C ATOM 603 C GLU A 43 16.504 3.479 -5.050 1.00 0.00 C ATOM 604 O GLU A 43 17.689 3.754 -5.240 1.00 0.00 O ATOM 605 CB GLU A 43 15.829 1.202 -5.837 1.00 0.00 C ATOM 606 CG GLU A 43 17.096 0.797 -6.573 1.00 0.00 C ATOM 607 CD GLU A 43 16.821 0.312 -7.984 1.00 0.00 C ATOM 608 OE1 GLU A 43 16.555 -0.896 -8.155 1.00 0.00 O ATOM 609 OE2 GLU A 43 16.872 1.141 -8.916 1.00 0.00 O ATOM 0 H GLU A 43 14.096 1.621 -4.135 1.00 0.00 H new ATOM 0 HA GLU A 43 16.899 1.644 -4.027 1.00 0.00 H new ATOM 0 HB2 GLU A 43 15.297 0.303 -5.525 1.00 0.00 H new ATOM 0 HB3 GLU A 43 15.174 1.737 -6.525 1.00 0.00 H new ATOM 0 HG2 GLU A 43 17.777 1.647 -6.611 1.00 0.00 H new ATOM 0 HG3 GLU A 43 17.601 0.009 -6.014 1.00 0.00 H new ATOM 616 N TYR A 44 15.522 4.360 -5.209 1.00 0.00 N ATOM 617 CA TYR A 44 15.786 5.732 -5.627 1.00 0.00 C ATOM 618 C TYR A 44 15.770 6.677 -4.430 1.00 0.00 C ATOM 619 O TYR A 44 16.477 7.684 -4.412 1.00 0.00 O ATOM 620 CB TYR A 44 14.752 6.181 -6.660 1.00 0.00 C ATOM 621 CG TYR A 44 14.786 5.379 -7.941 1.00 0.00 C ATOM 622 CD1 TYR A 44 15.697 5.678 -8.946 1.00 0.00 C ATOM 623 CD2 TYR A 44 13.908 4.321 -8.144 1.00 0.00 C ATOM 624 CE1 TYR A 44 15.732 4.946 -10.118 1.00 0.00 C ATOM 625 CE2 TYR A 44 13.936 3.585 -9.313 1.00 0.00 C ATOM 626 CZ TYR A 44 14.850 3.901 -10.296 1.00 0.00 C ATOM 627 OH TYR A 44 14.880 3.170 -11.462 1.00 0.00 O ATOM 0 H TYR A 44 14.536 4.148 -5.055 1.00 0.00 H new ATOM 0 HA TYR A 44 16.777 5.763 -6.079 1.00 0.00 H new ATOM 0 HB2 TYR A 44 13.757 6.107 -6.221 1.00 0.00 H new ATOM 0 HB3 TYR A 44 14.919 7.232 -6.895 1.00 0.00 H new ATOM 0 HD1 TYR A 44 16.389 6.496 -8.809 1.00 0.00 H new ATOM 0 HD2 TYR A 44 13.192 4.070 -7.375 1.00 0.00 H new ATOM 0 HE1 TYR A 44 16.446 5.191 -10.890 1.00 0.00 H new ATOM 0 HE2 TYR A 44 13.246 2.767 -9.456 1.00 0.00 H new ATOM 0 HH TYR A 44 14.195 2.470 -11.427 1.00 0.00 H new ATOM 637 N GLY A 45 14.957 6.346 -3.432 1.00 0.00 N ATOM 638 CA GLY A 45 14.864 7.176 -2.245 1.00 0.00 C ATOM 639 C GLY A 45 13.706 8.152 -2.309 1.00 0.00 C ATOM 640 O GLY A 45 13.785 9.257 -1.772 1.00 0.00 O ATOM 0 H GLY A 45 14.361 5.518 -3.424 1.00 0.00 H new ATOM 0 HA2 GLY A 45 14.750 6.539 -1.368 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.795 7.729 -2.118 1.00 0.00 H new ATOM 644 N LEU A 46 12.626 7.743 -2.968 1.00 0.00 N ATOM 645 CA LEU A 46 11.445 8.590 -3.101 1.00 0.00 C ATOM 646 C LEU A 46 10.200 7.870 -2.594 1.00 0.00 C ATOM 647 O LEU A 46 10.148 6.641 -2.570 1.00 0.00 O ATOM 648 CB LEU A 46 11.250 9.003 -4.561 1.00 0.00 C ATOM 649 CG LEU A 46 10.011 9.859 -4.831 1.00 0.00 C ATOM 650 CD1 LEU A 46 10.139 11.212 -4.150 1.00 0.00 C ATOM 651 CD2 LEU A 46 9.800 10.032 -6.328 1.00 0.00 C ATOM 0 H LEU A 46 12.544 6.831 -3.418 1.00 0.00 H new ATOM 0 HA LEU A 46 11.599 9.483 -2.495 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.132 9.554 -4.888 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.192 8.103 -5.173 1.00 0.00 H new ATOM 0 HG LEU A 46 9.142 9.348 -4.417 1.00 0.00 H new ATOM 0 HD11 LEU A 46 9.249 11.807 -4.353 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.243 11.070 -3.074 1.00 0.00 H new ATOM 0 HD13 LEU A 46 11.018 11.731 -4.534 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.915 10.643 -6.502 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.671 10.522 -6.764 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.663 9.055 -6.791 1.00 0.00 H new ATOM 663 N GLY A 47 9.199 8.645 -2.189 1.00 0.00 N ATOM 664 CA GLY A 47 7.967 8.065 -1.688 1.00 0.00 C ATOM 665 C GLY A 47 7.249 7.235 -2.734 1.00 0.00 C ATOM 666 O GLY A 47 7.698 7.141 -3.877 1.00 0.00 O ATOM 0 H GLY A 47 9.219 9.665 -2.199 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.189 7.440 -0.823 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.307 8.862 -1.345 1.00 0.00 H new ATOM 670 N ILE A 48 6.134 6.629 -2.342 1.00 0.00 N ATOM 671 CA ILE A 48 5.353 5.802 -3.255 1.00 0.00 C ATOM 672 C ILE A 48 4.090 6.527 -3.708 1.00 0.00 C ATOM 673 O ILE A 48 3.052 6.456 -3.051 1.00 0.00 O ATOM 674 CB ILE A 48 4.956 4.464 -2.600 1.00 0.00 C ATOM 675 CG1 ILE A 48 6.176 3.804 -1.958 1.00 0.00 C ATOM 676 CG2 ILE A 48 4.323 3.538 -3.629 1.00 0.00 C ATOM 677 CD1 ILE A 48 7.253 3.424 -2.951 1.00 0.00 C ATOM 0 H ILE A 48 5.751 6.695 -1.399 1.00 0.00 H new ATOM 0 HA ILE A 48 5.985 5.602 -4.120 1.00 0.00 H new ATOM 0 HB ILE A 48 4.222 4.662 -1.819 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.599 4.484 -1.218 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.855 2.910 -1.423 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.048 2.597 -3.152 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.431 4.009 -4.043 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.036 3.343 -4.430 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.087 2.961 -2.424 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.847 2.719 -3.677 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.602 4.317 -3.469 1.00 0.00 H new ATOM 689 N TYR A 49 4.188 7.224 -4.834 1.00 0.00 N ATOM 690 CA TYR A 49 3.053 7.963 -5.377 1.00 0.00 C ATOM 691 C TYR A 49 2.330 7.145 -6.442 1.00 0.00 C ATOM 692 O TYR A 49 2.704 6.006 -6.725 1.00 0.00 O ATOM 693 CB TYR A 49 3.521 9.293 -5.970 1.00 0.00 C ATOM 694 CG TYR A 49 4.356 10.120 -5.018 1.00 0.00 C ATOM 695 CD1 TYR A 49 5.709 9.857 -4.844 1.00 0.00 C ATOM 696 CD2 TYR A 49 3.791 11.162 -4.294 1.00 0.00 C ATOM 697 CE1 TYR A 49 6.476 10.610 -3.975 1.00 0.00 C ATOM 698 CE2 TYR A 49 4.552 11.920 -3.423 1.00 0.00 C ATOM 699 CZ TYR A 49 5.892 11.640 -3.267 1.00 0.00 C ATOM 700 OH TYR A 49 6.652 12.392 -2.401 1.00 0.00 O ATOM 0 H TYR A 49 5.041 7.293 -5.389 1.00 0.00 H new ATOM 0 HA TYR A 49 2.357 8.161 -4.562 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.101 9.095 -6.871 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.649 9.873 -6.273 1.00 0.00 H new ATOM 0 HD1 TYR A 49 6.169 9.051 -5.397 1.00 0.00 H new ATOM 0 HD2 TYR A 49 2.741 11.384 -4.413 1.00 0.00 H new ATOM 0 HE1 TYR A 49 7.527 10.393 -3.851 1.00 0.00 H new ATOM 0 HE2 TYR A 49 4.098 12.728 -2.868 1.00 0.00 H new ATOM 0 HH TYR A 49 6.090 13.077 -1.983 1.00 0.00 H new ATOM 710 N ILE A 50 1.293 7.732 -7.030 1.00 0.00 N ATOM 711 CA ILE A 50 0.518 7.058 -8.064 1.00 0.00 C ATOM 712 C ILE A 50 0.412 7.919 -9.319 1.00 0.00 C ATOM 713 O ILE A 50 -0.003 9.076 -9.257 1.00 0.00 O ATOM 714 CB ILE A 50 -0.901 6.714 -7.571 1.00 0.00 C ATOM 715 CG1 ILE A 50 -0.837 5.984 -6.227 1.00 0.00 C ATOM 716 CG2 ILE A 50 -1.632 5.868 -8.603 1.00 0.00 C ATOM 717 CD1 ILE A 50 -2.054 6.212 -5.358 1.00 0.00 C ATOM 0 H ILE A 50 0.970 8.674 -6.808 1.00 0.00 H new ATOM 0 HA ILE A 50 1.045 6.134 -8.302 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.454 7.643 -7.433 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.725 4.915 -6.408 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.052 6.311 -5.687 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.632 5.634 -8.239 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.707 6.421 -9.540 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.081 4.942 -8.771 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.940 5.665 -4.422 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.156 7.276 -5.146 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.944 5.859 -5.879 1.00 0.00 H new ATOM 729 N THR A 51 0.791 7.346 -10.457 1.00 0.00 N ATOM 730 CA THR A 51 0.738 8.061 -11.727 1.00 0.00 C ATOM 731 C THR A 51 0.226 7.154 -12.840 1.00 0.00 C ATOM 732 O THR A 51 0.721 7.196 -13.966 1.00 0.00 O ATOM 733 CB THR A 51 2.123 8.601 -12.088 1.00 0.00 C ATOM 734 OG1 THR A 51 3.000 7.543 -12.429 1.00 0.00 O ATOM 735 CG2 THR A 51 2.769 9.390 -10.969 1.00 0.00 C ATOM 0 H THR A 51 1.138 6.389 -10.526 1.00 0.00 H new ATOM 0 HA THR A 51 0.047 8.897 -11.618 1.00 0.00 H new ATOM 0 HB THR A 51 1.961 9.268 -12.934 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.724 6.726 -11.963 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.748 9.744 -11.291 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.140 10.244 -10.716 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.884 8.752 -10.093 1.00 0.00 H new ATOM 743 N GLY A 52 -0.770 6.334 -12.517 1.00 0.00 N ATOM 744 CA GLY A 52 -1.333 5.428 -13.500 1.00 0.00 C ATOM 745 C GLY A 52 -2.710 4.930 -13.109 1.00 0.00 C ATOM 746 O GLY A 52 -2.940 4.562 -11.958 1.00 0.00 O ATOM 0 H GLY A 52 -1.197 6.281 -11.592 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.393 5.934 -14.463 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.665 4.576 -13.629 1.00 0.00 H new ATOM 750 N VAL A 53 -3.627 4.919 -14.070 1.00 0.00 N ATOM 751 CA VAL A 53 -4.990 4.462 -13.822 1.00 0.00 C ATOM 752 C VAL A 53 -5.569 3.769 -15.051 1.00 0.00 C ATOM 753 O VAL A 53 -5.749 4.390 -16.098 1.00 0.00 O ATOM 754 CB VAL A 53 -5.911 5.630 -13.424 1.00 0.00 C ATOM 755 CG1 VAL A 53 -7.268 5.112 -12.976 1.00 0.00 C ATOM 756 CG2 VAL A 53 -5.266 6.470 -12.332 1.00 0.00 C ATOM 0 H VAL A 53 -3.452 5.221 -15.028 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.940 3.752 -12.997 1.00 0.00 H new ATOM 0 HB VAL A 53 -6.061 6.264 -14.298 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -7.905 5.952 -12.699 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.733 4.558 -13.791 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.141 4.454 -12.116 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.931 7.291 -12.064 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.084 5.849 -11.455 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.320 6.873 -12.694 1.00 0.00 H new ATOM 766 N ASP A 54 -5.857 2.479 -14.916 1.00 0.00 N ATOM 767 CA ASP A 54 -6.414 1.703 -16.018 1.00 0.00 C ATOM 768 C ASP A 54 -7.942 1.720 -15.978 1.00 0.00 C ATOM 769 O ASP A 54 -8.543 1.618 -14.909 1.00 0.00 O ATOM 770 CB ASP A 54 -5.908 0.260 -15.958 1.00 0.00 C ATOM 771 CG ASP A 54 -4.433 0.151 -16.285 1.00 0.00 C ATOM 772 OD1 ASP A 54 -3.940 0.971 -17.090 1.00 0.00 O ATOM 773 OD2 ASP A 54 -3.768 -0.755 -15.739 1.00 0.00 O ATOM 0 H ASP A 54 -5.714 1.949 -14.056 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.087 2.158 -16.953 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -6.087 -0.144 -14.962 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.478 -0.352 -16.657 1.00 0.00 H new ATOM 778 N PRO A 55 -8.593 1.850 -17.148 1.00 0.00 N ATOM 779 CA PRO A 55 -10.055 1.880 -17.237 1.00 0.00 C ATOM 780 C PRO A 55 -10.674 0.497 -17.066 1.00 0.00 C ATOM 781 O PRO A 55 -10.448 -0.400 -17.879 1.00 0.00 O ATOM 782 CB PRO A 55 -10.307 2.408 -18.648 1.00 0.00 C ATOM 783 CG PRO A 55 -9.120 1.963 -19.431 1.00 0.00 C ATOM 784 CD PRO A 55 -7.957 1.978 -18.475 1.00 0.00 C ATOM 0 HA PRO A 55 -10.502 2.489 -16.451 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -11.230 2.005 -19.064 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -10.402 3.494 -18.654 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.275 0.964 -19.840 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.939 2.628 -20.275 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -7.268 1.156 -18.670 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -7.383 2.901 -18.557 1.00 0.00 H new ATOM 792 N GLY A 56 -11.457 0.330 -16.005 1.00 0.00 N ATOM 793 CA GLY A 56 -12.096 -0.947 -15.747 1.00 0.00 C ATOM 794 C GLY A 56 -11.363 -1.764 -14.702 1.00 0.00 C ATOM 795 O GLY A 56 -11.336 -2.992 -14.772 1.00 0.00 O ATOM 0 H GLY A 56 -11.660 1.057 -15.319 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -13.121 -0.776 -15.417 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.151 -1.516 -16.675 1.00 0.00 H new ATOM 799 N SER A 57 -10.766 -1.080 -13.731 1.00 0.00 N ATOM 800 CA SER A 57 -10.029 -1.751 -12.666 1.00 0.00 C ATOM 801 C SER A 57 -10.691 -1.512 -11.313 1.00 0.00 C ATOM 802 O SER A 57 -11.587 -0.677 -11.187 1.00 0.00 O ATOM 803 CB SER A 57 -8.580 -1.258 -12.632 1.00 0.00 C ATOM 804 OG SER A 57 -8.486 0.002 -11.993 1.00 0.00 O ATOM 0 H SER A 57 -10.778 -0.063 -13.660 1.00 0.00 H new ATOM 0 HA SER A 57 -10.037 -2.822 -12.870 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.958 -1.983 -12.107 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.194 -1.184 -13.649 1.00 0.00 H new ATOM 0 HG SER A 57 -7.735 -0.006 -11.364 1.00 0.00 H new ATOM 810 N GLU A 58 -10.243 -2.251 -10.303 1.00 0.00 N ATOM 811 CA GLU A 58 -10.792 -2.120 -8.958 1.00 0.00 C ATOM 812 C GLU A 58 -10.457 -0.755 -8.365 1.00 0.00 C ATOM 813 O GLU A 58 -11.267 -0.160 -7.654 1.00 0.00 O ATOM 814 CB GLU A 58 -10.253 -3.228 -8.054 1.00 0.00 C ATOM 815 CG GLU A 58 -11.110 -4.483 -8.051 1.00 0.00 C ATOM 816 CD GLU A 58 -12.348 -4.342 -7.187 1.00 0.00 C ATOM 817 OE1 GLU A 58 -13.133 -3.399 -7.424 1.00 0.00 O ATOM 818 OE2 GLU A 58 -12.532 -5.172 -6.273 1.00 0.00 O ATOM 0 H GLU A 58 -9.502 -2.946 -10.390 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.876 -2.211 -9.024 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.244 -3.488 -8.374 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.176 -2.849 -7.035 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.409 -4.716 -9.073 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.515 -5.324 -7.693 1.00 0.00 H new ATOM 825 N ALA A 59 -9.258 -0.265 -8.661 1.00 0.00 N ATOM 826 CA ALA A 59 -8.816 1.030 -8.157 1.00 0.00 C ATOM 827 C ALA A 59 -9.559 2.170 -8.844 1.00 0.00 C ATOM 828 O ALA A 59 -9.954 3.144 -8.202 1.00 0.00 O ATOM 829 CB ALA A 59 -7.315 1.185 -8.348 1.00 0.00 C ATOM 0 H ALA A 59 -8.575 -0.745 -9.247 1.00 0.00 H new ATOM 0 HA ALA A 59 -9.043 1.074 -7.092 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.998 2.156 -7.968 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.796 0.395 -7.805 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.074 1.115 -9.409 1.00 0.00 H new ATOM 835 N GLU A 60 -9.747 2.043 -10.153 1.00 0.00 N ATOM 836 CA GLU A 60 -10.444 3.064 -10.928 1.00 0.00 C ATOM 837 C GLU A 60 -11.875 3.242 -10.431 1.00 0.00 C ATOM 838 O GLU A 60 -12.432 4.337 -10.494 1.00 0.00 O ATOM 839 CB GLU A 60 -10.450 2.692 -12.412 1.00 0.00 C ATOM 840 CG GLU A 60 -10.696 3.875 -13.334 1.00 0.00 C ATOM 841 CD GLU A 60 -12.162 4.251 -13.421 1.00 0.00 C ATOM 842 OE1 GLU A 60 -13.010 3.334 -13.448 1.00 0.00 O ATOM 843 OE2 GLU A 60 -12.462 5.463 -13.462 1.00 0.00 O ATOM 0 H GLU A 60 -9.427 1.244 -10.700 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.914 4.008 -10.799 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.494 2.235 -12.668 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.219 1.940 -12.586 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.125 4.733 -12.979 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.326 3.637 -14.331 1.00 0.00 H new ATOM 850 N GLY A 61 -12.463 2.157 -9.935 1.00 0.00 N ATOM 851 CA GLY A 61 -13.823 2.215 -9.434 1.00 0.00 C ATOM 852 C GLY A 61 -13.894 2.727 -8.008 1.00 0.00 C ATOM 853 O GLY A 61 -14.886 3.338 -7.611 1.00 0.00 O ATOM 0 H GLY A 61 -12.021 1.240 -9.872 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.417 2.862 -10.079 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -14.268 1.221 -9.483 1.00 0.00 H new ATOM 857 N SER A 62 -12.840 2.476 -7.240 1.00 0.00 N ATOM 858 CA SER A 62 -12.786 2.915 -5.850 1.00 0.00 C ATOM 859 C SER A 62 -12.678 4.434 -5.763 1.00 0.00 C ATOM 860 O SER A 62 -13.430 5.079 -5.032 1.00 0.00 O ATOM 861 CB SER A 62 -11.601 2.265 -5.133 1.00 0.00 C ATOM 862 OG SER A 62 -11.863 2.112 -3.749 1.00 0.00 O ATOM 0 H SER A 62 -12.012 1.971 -7.556 1.00 0.00 H new ATOM 0 HA SER A 62 -13.710 2.606 -5.362 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.393 1.291 -5.577 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.709 2.875 -5.272 1.00 0.00 H new ATOM 0 HG SER A 62 -11.091 1.693 -3.314 1.00 0.00 H new ATOM 868 N GLY A 63 -11.738 4.999 -6.513 1.00 0.00 N ATOM 869 CA GLY A 63 -11.548 6.438 -6.507 1.00 0.00 C ATOM 870 C GLY A 63 -10.089 6.829 -6.380 1.00 0.00 C ATOM 871 O GLY A 63 -9.746 7.732 -5.617 1.00 0.00 O ATOM 0 H GLY A 63 -11.104 4.486 -7.125 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.955 6.859 -7.426 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.111 6.872 -5.681 1.00 0.00 H new ATOM 875 N LEU A 64 -9.228 6.148 -7.129 1.00 0.00 N ATOM 876 CA LEU A 64 -7.798 6.428 -7.097 1.00 0.00 C ATOM 877 C LEU A 64 -7.360 7.167 -8.359 1.00 0.00 C ATOM 878 O LEU A 64 -7.593 6.702 -9.474 1.00 0.00 O ATOM 879 CB LEU A 64 -7.005 5.128 -6.954 1.00 0.00 C ATOM 880 CG LEU A 64 -6.787 4.658 -5.514 1.00 0.00 C ATOM 881 CD1 LEU A 64 -6.761 3.139 -5.446 1.00 0.00 C ATOM 882 CD2 LEU A 64 -5.497 5.240 -4.954 1.00 0.00 C ATOM 0 H LEU A 64 -9.496 5.398 -7.766 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.597 7.065 -6.235 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.524 4.342 -7.502 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.033 5.259 -7.429 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.618 5.014 -4.906 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.605 2.824 -4.414 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.710 2.742 -5.807 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.949 2.761 -6.068 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.357 4.896 -3.929 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.655 4.913 -5.565 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.553 6.328 -4.967 1.00 0.00 H new ATOM 894 N LYS A 65 -6.724 8.320 -8.173 1.00 0.00 N ATOM 895 CA LYS A 65 -6.254 9.123 -9.296 1.00 0.00 C ATOM 896 C LYS A 65 -4.746 9.338 -9.215 1.00 0.00 C ATOM 897 O LYS A 65 -4.107 8.965 -8.231 1.00 0.00 O ATOM 898 CB LYS A 65 -6.973 10.473 -9.322 1.00 0.00 C ATOM 899 CG LYS A 65 -8.435 10.375 -9.724 1.00 0.00 C ATOM 900 CD LYS A 65 -9.333 10.171 -8.514 1.00 0.00 C ATOM 901 CE LYS A 65 -10.630 9.474 -8.893 1.00 0.00 C ATOM 902 NZ LYS A 65 -11.803 10.065 -8.191 1.00 0.00 N ATOM 0 H LYS A 65 -6.523 8.718 -7.256 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.478 8.583 -10.216 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.906 10.930 -8.335 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.457 11.137 -10.016 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.731 11.283 -10.249 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.567 9.547 -10.420 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.807 9.580 -7.765 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.557 11.136 -8.059 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.778 9.544 -9.971 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.557 8.414 -8.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.668 9.562 -8.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.674 9.976 -7.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.888 11.070 -8.443 1.00 0.00 H new ATOM 916 N VAL A 66 -4.182 9.945 -10.255 1.00 0.00 N ATOM 917 CA VAL A 66 -2.750 10.210 -10.302 1.00 0.00 C ATOM 918 C VAL A 66 -2.388 11.422 -9.450 1.00 0.00 C ATOM 919 O VAL A 66 -3.090 12.434 -9.463 1.00 0.00 O ATOM 920 CB VAL A 66 -2.268 10.449 -11.745 1.00 0.00 C ATOM 921 CG1 VAL A 66 -2.274 9.149 -12.533 1.00 0.00 C ATOM 922 CG2 VAL A 66 -3.129 11.501 -12.428 1.00 0.00 C ATOM 0 H VAL A 66 -4.696 10.262 -11.077 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.252 9.326 -9.904 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.243 10.819 -11.710 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.930 9.338 -13.550 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.610 8.430 -12.054 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.286 8.745 -12.561 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.774 11.657 -13.447 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.165 11.163 -12.453 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.066 12.438 -11.875 1.00 0.00 H new ATOM 932 N GLY A 67 -1.289 11.314 -8.710 1.00 0.00 N ATOM 933 CA GLY A 67 -0.852 12.408 -7.864 1.00 0.00 C ATOM 934 C GLY A 67 -0.905 12.056 -6.390 1.00 0.00 C ATOM 935 O GLY A 67 -0.136 12.590 -5.590 1.00 0.00 O ATOM 0 H GLY A 67 -0.693 10.487 -8.682 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.167 12.686 -8.132 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.479 13.280 -8.049 1.00 0.00 H new ATOM 939 N ASP A 68 -1.812 11.155 -6.030 1.00 0.00 N ATOM 940 CA ASP A 68 -1.961 10.732 -4.643 1.00 0.00 C ATOM 941 C ASP A 68 -0.687 10.061 -4.138 1.00 0.00 C ATOM 942 O ASP A 68 0.067 9.473 -4.914 1.00 0.00 O ATOM 943 CB ASP A 68 -3.145 9.774 -4.504 1.00 0.00 C ATOM 944 CG ASP A 68 -4.439 10.498 -4.181 1.00 0.00 C ATOM 945 OD1 ASP A 68 -4.380 11.537 -3.490 1.00 0.00 O ATOM 946 OD2 ASP A 68 -5.509 10.027 -4.620 1.00 0.00 O ATOM 0 H ASP A 68 -2.455 10.703 -6.680 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.147 11.619 -4.038 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.267 9.214 -5.431 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.932 9.048 -3.719 1.00 0.00 H new ATOM 951 N GLN A 69 -0.454 10.153 -2.833 1.00 0.00 N ATOM 952 CA GLN A 69 0.729 9.556 -2.223 1.00 0.00 C ATOM 953 C GLN A 69 0.343 8.408 -1.296 1.00 0.00 C ATOM 954 O GLN A 69 -0.375 8.603 -0.316 1.00 0.00 O ATOM 955 CB GLN A 69 1.516 10.612 -1.445 1.00 0.00 C ATOM 956 CG GLN A 69 2.788 10.077 -0.808 1.00 0.00 C ATOM 957 CD GLN A 69 3.731 11.181 -0.373 1.00 0.00 C ATOM 958 OE1 GLN A 69 3.326 12.334 -0.219 1.00 0.00 O ATOM 959 NE2 GLN A 69 4.997 10.834 -0.172 1.00 0.00 N ATOM 0 H GLN A 69 -1.069 10.635 -2.177 1.00 0.00 H new ATOM 0 HA GLN A 69 1.357 9.160 -3.021 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.773 11.430 -2.118 1.00 0.00 H new ATOM 0 HB3 GLN A 69 0.877 11.028 -0.666 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.528 9.465 0.056 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.299 9.426 -1.517 1.00 0.00 H new ATOM 0 HE21 GLN A 69 5.289 9.867 -0.312 1.00 0.00 H new ATOM 0 HE22 GLN A 69 5.677 11.535 0.122 1.00 0.00 H new ATOM 968 N ILE A 70 0.825 7.211 -1.613 1.00 0.00 N ATOM 969 CA ILE A 70 0.530 6.031 -0.808 1.00 0.00 C ATOM 970 C ILE A 70 1.303 6.057 0.506 1.00 0.00 C ATOM 971 O ILE A 70 2.530 5.958 0.519 1.00 0.00 O ATOM 972 CB ILE A 70 0.871 4.733 -1.565 1.00 0.00 C ATOM 973 CG1 ILE A 70 0.251 4.753 -2.964 1.00 0.00 C ATOM 974 CG2 ILE A 70 0.387 3.521 -0.783 1.00 0.00 C ATOM 975 CD1 ILE A 70 0.680 3.590 -3.830 1.00 0.00 C ATOM 0 H ILE A 70 1.421 7.032 -2.421 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.540 6.050 -0.599 1.00 0.00 H new ATOM 0 HB ILE A 70 1.954 4.666 -1.669 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.835 4.746 -2.872 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.523 5.685 -3.460 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.635 2.612 -1.331 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.872 3.500 0.193 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.693 3.581 -0.650 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.203 3.668 -4.807 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.763 3.608 -3.953 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.384 2.654 -3.355 1.00 0.00 H new ATOM 987 N LEU A 71 0.577 6.193 1.611 1.00 0.00 N ATOM 988 CA LEU A 71 1.195 6.232 2.932 1.00 0.00 C ATOM 989 C LEU A 71 1.556 4.828 3.405 1.00 0.00 C ATOM 990 O LEU A 71 2.710 4.549 3.727 1.00 0.00 O ATOM 991 CB LEU A 71 0.254 6.897 3.938 1.00 0.00 C ATOM 992 CG LEU A 71 0.037 8.396 3.730 1.00 0.00 C ATOM 993 CD1 LEU A 71 -1.129 8.888 4.573 1.00 0.00 C ATOM 994 CD2 LEU A 71 1.304 9.168 4.067 1.00 0.00 C ATOM 0 H LEU A 71 -0.439 6.278 1.618 1.00 0.00 H new ATOM 0 HA LEU A 71 2.111 6.818 2.861 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.713 6.396 3.894 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.649 6.739 4.941 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.202 8.568 2.681 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.269 9.957 4.412 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.036 8.356 4.285 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.919 8.704 5.627 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.133 10.233 3.914 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.572 8.990 5.108 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.116 8.834 3.421 1.00 0.00 H new ATOM 1006 N GLU A 72 0.561 3.948 3.445 1.00 0.00 N ATOM 1007 CA GLU A 72 0.774 2.573 3.879 1.00 0.00 C ATOM 1008 C GLU A 72 -0.264 1.640 3.264 1.00 0.00 C ATOM 1009 O GLU A 72 -1.309 2.084 2.789 1.00 0.00 O ATOM 1010 CB GLU A 72 0.716 2.483 5.406 1.00 0.00 C ATOM 1011 CG GLU A 72 -0.640 2.850 5.986 1.00 0.00 C ATOM 1012 CD GLU A 72 -0.627 4.188 6.699 1.00 0.00 C ATOM 1013 OE1 GLU A 72 0.252 5.019 6.386 1.00 0.00 O ATOM 1014 OE2 GLU A 72 -1.496 4.405 7.570 1.00 0.00 O ATOM 0 H GLU A 72 -0.401 4.163 3.182 1.00 0.00 H new ATOM 0 HA GLU A 72 1.762 2.261 3.540 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.970 1.468 5.712 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.474 3.142 5.830 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.378 2.877 5.185 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.955 2.074 6.684 1.00 0.00 H new ATOM 1021 N VAL A 73 0.032 0.344 3.277 1.00 0.00 N ATOM 1022 CA VAL A 73 -0.876 -0.651 2.720 1.00 0.00 C ATOM 1023 C VAL A 73 -0.976 -1.872 3.630 1.00 0.00 C ATOM 1024 O VAL A 73 0.027 -2.518 3.931 1.00 0.00 O ATOM 1025 CB VAL A 73 -0.421 -1.106 1.320 1.00 0.00 C ATOM 1026 CG1 VAL A 73 -1.486 -1.977 0.669 1.00 0.00 C ATOM 1027 CG2 VAL A 73 -0.099 0.097 0.447 1.00 0.00 C ATOM 0 H VAL A 73 0.893 -0.041 3.667 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.854 -0.177 2.640 1.00 0.00 H new ATOM 0 HB VAL A 73 0.486 -1.701 1.428 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.147 -2.289 -0.319 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.663 -2.858 1.286 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.411 -1.409 0.573 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.221 -0.243 -0.538 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.987 0.721 0.345 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.701 0.677 0.908 1.00 0.00 H new ATOM 1037 N ASN A 74 -2.194 -2.181 4.064 1.00 0.00 N ATOM 1038 CA ASN A 74 -2.425 -3.323 4.940 1.00 0.00 C ATOM 1039 C ASN A 74 -1.649 -3.173 6.246 1.00 0.00 C ATOM 1040 O ASN A 74 -1.191 -4.158 6.825 1.00 0.00 O ATOM 1041 CB ASN A 74 -2.021 -4.622 4.236 1.00 0.00 C ATOM 1042 CG ASN A 74 -3.201 -5.312 3.581 1.00 0.00 C ATOM 1043 OD1 ASN A 74 -3.949 -6.041 4.232 1.00 0.00 O ATOM 1044 ND2 ASN A 74 -3.371 -5.088 2.283 1.00 0.00 N ATOM 0 H ASN A 74 -3.035 -1.657 3.823 1.00 0.00 H new ATOM 0 HA ASN A 74 -3.489 -3.361 5.174 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -1.266 -4.404 3.481 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -1.563 -5.297 4.959 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -4.146 -5.528 1.787 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -2.727 -4.476 1.782 1.00 0.00 H new ATOM 1051 N GLY A 75 -1.506 -1.933 6.703 1.00 0.00 N ATOM 1052 CA GLY A 75 -0.787 -1.676 7.936 1.00 0.00 C ATOM 1053 C GLY A 75 0.717 -1.771 7.759 1.00 0.00 C ATOM 1054 O GLY A 75 1.441 -2.085 8.705 1.00 0.00 O ATOM 0 H GLY A 75 -1.875 -1.102 6.241 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.045 -0.683 8.304 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.107 -2.390 8.695 1.00 0.00 H new ATOM 1058 N ARG A 76 1.186 -1.499 6.546 1.00 0.00 N ATOM 1059 CA ARG A 76 2.612 -1.556 6.247 1.00 0.00 C ATOM 1060 C ARG A 76 3.105 -0.222 5.699 1.00 0.00 C ATOM 1061 O ARG A 76 2.579 0.289 4.711 1.00 0.00 O ATOM 1062 CB ARG A 76 2.899 -2.672 5.241 1.00 0.00 C ATOM 1063 CG ARG A 76 4.374 -3.027 5.131 1.00 0.00 C ATOM 1064 CD ARG A 76 4.621 -4.498 5.426 1.00 0.00 C ATOM 1065 NE ARG A 76 5.126 -4.707 6.781 1.00 0.00 N ATOM 1066 CZ ARG A 76 6.334 -4.324 7.189 1.00 0.00 C ATOM 1067 NH1 ARG A 76 7.162 -3.712 6.352 1.00 0.00 N ATOM 1068 NH2 ARG A 76 6.714 -4.553 8.439 1.00 0.00 N ATOM 0 H ARG A 76 0.599 -1.237 5.754 1.00 0.00 H new ATOM 0 HA ARG A 76 3.145 -1.767 7.174 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.340 -3.562 5.529 1.00 0.00 H new ATOM 0 HB3 ARG A 76 2.533 -2.369 4.260 1.00 0.00 H new ATOM 0 HG2 ARG A 76 4.731 -2.792 4.128 1.00 0.00 H new ATOM 0 HG3 ARG A 76 4.949 -2.415 5.826 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.693 -5.055 5.295 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.336 -4.897 4.707 1.00 0.00 H new ATOM 0 HE ARG A 76 4.518 -5.174 7.454 1.00 0.00 H new ATOM 0 HH11 ARG A 76 6.874 -3.533 5.390 1.00 0.00 H new ATOM 0 HH12 ARG A 76 8.086 -3.421 6.671 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.081 -5.022 9.087 1.00 0.00 H new ATOM 0 HH22 ARG A 76 7.639 -4.260 8.753 1.00 0.00 H new ATOM 1082 N SER A 77 4.121 0.340 6.347 1.00 0.00 N ATOM 1083 CA SER A 77 4.687 1.616 5.925 1.00 0.00 C ATOM 1084 C SER A 77 5.352 1.490 4.559 1.00 0.00 C ATOM 1085 O SER A 77 6.292 0.714 4.384 1.00 0.00 O ATOM 1086 CB SER A 77 5.701 2.114 6.956 1.00 0.00 C ATOM 1087 OG SER A 77 6.283 1.033 7.663 1.00 0.00 O ATOM 0 H SER A 77 4.569 -0.069 7.167 1.00 0.00 H new ATOM 0 HA SER A 77 3.874 2.338 5.848 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.481 2.687 6.456 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.210 2.789 7.657 1.00 0.00 H new ATOM 0 HG SER A 77 6.929 1.378 8.315 1.00 0.00 H new ATOM 1093 N PHE A 78 4.858 2.258 3.593 1.00 0.00 N ATOM 1094 CA PHE A 78 5.404 2.233 2.241 1.00 0.00 C ATOM 1095 C PHE A 78 6.373 3.392 2.025 1.00 0.00 C ATOM 1096 O PHE A 78 6.469 3.936 0.925 1.00 0.00 O ATOM 1097 CB PHE A 78 4.274 2.295 1.212 1.00 0.00 C ATOM 1098 CG PHE A 78 3.847 0.946 0.708 1.00 0.00 C ATOM 1099 CD1 PHE A 78 3.457 -0.048 1.591 1.00 0.00 C ATOM 1100 CD2 PHE A 78 3.836 0.671 -0.651 1.00 0.00 C ATOM 1101 CE1 PHE A 78 3.064 -1.290 1.131 1.00 0.00 C ATOM 1102 CE2 PHE A 78 3.445 -0.570 -1.118 1.00 0.00 C ATOM 1103 CZ PHE A 78 3.058 -1.551 -0.226 1.00 0.00 C ATOM 0 H PHE A 78 4.080 2.905 3.722 1.00 0.00 H new ATOM 0 HA PHE A 78 5.951 1.299 2.112 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.415 2.796 1.658 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.596 2.904 0.367 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.460 0.151 2.653 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.136 1.435 -1.353 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.762 -2.055 1.831 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.442 -0.772 -2.179 1.00 0.00 H new ATOM 0 HZ PHE A 78 2.751 -2.521 -0.589 1.00 0.00 H new ATOM 1113 N LEU A 79 7.088 3.764 3.081 1.00 0.00 N ATOM 1114 CA LEU A 79 8.049 4.858 3.005 1.00 0.00 C ATOM 1115 C LEU A 79 9.382 4.375 2.441 1.00 0.00 C ATOM 1116 O LEU A 79 9.894 4.930 1.470 1.00 0.00 O ATOM 1117 CB LEU A 79 8.262 5.475 4.388 1.00 0.00 C ATOM 1118 CG LEU A 79 6.993 5.989 5.070 1.00 0.00 C ATOM 1119 CD1 LEU A 79 7.260 6.291 6.536 1.00 0.00 C ATOM 1120 CD2 LEU A 79 6.468 7.226 4.355 1.00 0.00 C ATOM 0 H LEU A 79 7.020 3.324 3.999 1.00 0.00 H new ATOM 0 HA LEU A 79 7.645 5.616 2.334 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.727 4.730 5.034 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.967 6.301 4.296 1.00 0.00 H new ATOM 0 HG LEU A 79 6.232 5.211 5.014 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.346 6.656 7.005 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.589 5.383 7.041 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.037 7.052 6.615 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.565 7.578 4.853 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.225 8.009 4.380 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.237 6.977 3.319 1.00 0.00 H new ATOM 1132 N ASN A 80 9.939 3.337 3.057 1.00 0.00 N ATOM 1133 CA ASN A 80 11.212 2.779 2.616 1.00 0.00 C ATOM 1134 C ASN A 80 11.002 1.468 1.866 1.00 0.00 C ATOM 1135 O ASN A 80 11.731 0.497 2.073 1.00 0.00 O ATOM 1136 CB ASN A 80 12.136 2.554 3.815 1.00 0.00 C ATOM 1137 CG ASN A 80 11.542 1.599 4.832 1.00 0.00 C ATOM 1138 OD1 ASN A 80 11.223 0.454 4.512 1.00 0.00 O ATOM 1139 ND2 ASN A 80 11.390 2.067 6.065 1.00 0.00 N ATOM 0 H ASN A 80 9.529 2.865 3.863 1.00 0.00 H new ATOM 0 HA ASN A 80 11.677 3.493 1.936 1.00 0.00 H new ATOM 0 HB2 ASN A 80 13.091 2.161 3.466 1.00 0.00 H new ATOM 0 HB3 ASN A 80 12.342 3.510 4.296 1.00 0.00 H new ATOM 0 HD21 ASN A 80 10.995 1.470 6.792 1.00 0.00 H new ATOM 0 HD22 ASN A 80 11.668 3.023 6.285 1.00 0.00 H new ATOM 1146 N ILE A 81 10.000 1.446 0.992 1.00 0.00 N ATOM 1147 CA ILE A 81 9.695 0.254 0.210 1.00 0.00 C ATOM 1148 C ILE A 81 10.319 0.334 -1.180 1.00 0.00 C ATOM 1149 O ILE A 81 10.436 1.414 -1.758 1.00 0.00 O ATOM 1150 CB ILE A 81 8.172 0.048 0.072 1.00 0.00 C ATOM 1151 CG1 ILE A 81 7.874 -1.252 -0.679 1.00 0.00 C ATOM 1152 CG2 ILE A 81 7.535 1.235 -0.634 1.00 0.00 C ATOM 1153 CD1 ILE A 81 6.458 -1.749 -0.487 1.00 0.00 C ATOM 0 H ILE A 81 9.386 2.240 0.808 1.00 0.00 H new ATOM 0 HA ILE A 81 10.120 -0.595 0.745 1.00 0.00 H new ATOM 0 HB ILE A 81 7.741 -0.027 1.070 1.00 0.00 H new ATOM 0 HG12 ILE A 81 8.055 -1.098 -1.743 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.569 -2.022 -0.346 1.00 0.00 H new ATOM 0 HG21 ILE A 81 6.461 1.072 -0.722 1.00 0.00 H new ATOM 0 HG22 ILE A 81 7.718 2.142 -0.058 1.00 0.00 H new ATOM 0 HG23 ILE A 81 7.969 1.343 -1.628 1.00 0.00 H new ATOM 0 HD11 ILE A 81 6.318 -2.673 -1.047 1.00 0.00 H new ATOM 0 HD12 ILE A 81 6.278 -1.936 0.572 1.00 0.00 H new ATOM 0 HD13 ILE A 81 5.756 -0.997 -0.847 1.00 0.00 H new ATOM 1165 N LEU A 82 10.720 -0.817 -1.711 1.00 0.00 N ATOM 1166 CA LEU A 82 11.333 -0.878 -3.032 1.00 0.00 C ATOM 1167 C LEU A 82 10.289 -0.683 -4.126 1.00 0.00 C ATOM 1168 O LEU A 82 9.127 -1.051 -3.962 1.00 0.00 O ATOM 1169 CB LEU A 82 12.046 -2.218 -3.225 1.00 0.00 C ATOM 1170 CG LEU A 82 13.080 -2.561 -2.150 1.00 0.00 C ATOM 1171 CD1 LEU A 82 12.975 -4.026 -1.752 1.00 0.00 C ATOM 1172 CD2 LEU A 82 14.484 -2.241 -2.641 1.00 0.00 C ATOM 0 H LEU A 82 10.631 -1.720 -1.246 1.00 0.00 H new ATOM 0 HA LEU A 82 12.063 -0.072 -3.104 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.298 -3.010 -3.254 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.542 -2.212 -4.196 1.00 0.00 H new ATOM 0 HG LEU A 82 12.875 -1.952 -1.270 1.00 0.00 H new ATOM 0 HD11 LEU A 82 13.719 -4.249 -0.987 1.00 0.00 H new ATOM 0 HD12 LEU A 82 11.978 -4.226 -1.359 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.153 -4.654 -2.625 1.00 0.00 H new ATOM 0 HD21 LEU A 82 15.207 -2.491 -1.864 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.698 -2.824 -3.537 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.555 -1.179 -2.874 1.00 0.00 H new ATOM 1184 N HIS A 83 10.713 -0.102 -5.244 1.00 0.00 N ATOM 1185 CA HIS A 83 9.815 0.142 -6.367 1.00 0.00 C ATOM 1186 C HIS A 83 9.232 -1.167 -6.891 1.00 0.00 C ATOM 1187 O HIS A 83 8.030 -1.270 -7.135 1.00 0.00 O ATOM 1188 CB HIS A 83 10.554 0.871 -7.491 1.00 0.00 C ATOM 1189 CG HIS A 83 9.641 1.542 -8.469 1.00 0.00 C ATOM 1190 ND1 HIS A 83 8.393 2.020 -8.129 1.00 0.00 N ATOM 1191 CD2 HIS A 83 9.802 1.817 -9.786 1.00 0.00 C ATOM 1192 CE1 HIS A 83 7.825 2.558 -9.194 1.00 0.00 C ATOM 1193 NE2 HIS A 83 8.659 2.449 -10.211 1.00 0.00 N ATOM 0 H HIS A 83 11.673 0.208 -5.396 1.00 0.00 H new ATOM 0 HA HIS A 83 8.996 0.769 -6.015 1.00 0.00 H new ATOM 0 HB2 HIS A 83 11.218 1.617 -7.054 1.00 0.00 H new ATOM 0 HB3 HIS A 83 11.183 0.158 -8.024 1.00 0.00 H new ATOM 0 HD2 HIS A 83 10.667 1.583 -10.389 1.00 0.00 H new ATOM 0 HE1 HIS A 83 6.845 3.010 -9.227 1.00 0.00 H new ATOM 0 HE2 HIS A 83 8.483 2.781 -11.159 1.00 0.00 H new ATOM 1202 N ASP A 84 10.093 -2.165 -7.060 1.00 0.00 N ATOM 1203 CA ASP A 84 9.665 -3.469 -7.553 1.00 0.00 C ATOM 1204 C ASP A 84 8.827 -4.197 -6.506 1.00 0.00 C ATOM 1205 O ASP A 84 7.845 -4.862 -6.836 1.00 0.00 O ATOM 1206 CB ASP A 84 10.879 -4.318 -7.934 1.00 0.00 C ATOM 1207 CG ASP A 84 11.145 -4.309 -9.427 1.00 0.00 C ATOM 1208 OD1 ASP A 84 10.191 -4.534 -10.201 1.00 0.00 O ATOM 1209 OD2 ASP A 84 12.307 -4.077 -9.822 1.00 0.00 O ATOM 0 H ASP A 84 11.091 -2.096 -6.863 1.00 0.00 H new ATOM 0 HA ASP A 84 9.050 -3.311 -8.439 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.759 -3.946 -7.409 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.720 -5.344 -7.602 1.00 0.00 H new ATOM 1214 N GLU A 85 9.222 -4.065 -5.245 1.00 0.00 N ATOM 1215 CA GLU A 85 8.507 -4.709 -4.150 1.00 0.00 C ATOM 1216 C GLU A 85 7.087 -4.165 -4.032 1.00 0.00 C ATOM 1217 O GLU A 85 6.135 -4.922 -3.845 1.00 0.00 O ATOM 1218 CB GLU A 85 9.256 -4.501 -2.831 1.00 0.00 C ATOM 1219 CG GLU A 85 8.706 -5.329 -1.682 1.00 0.00 C ATOM 1220 CD GLU A 85 9.415 -5.050 -0.371 1.00 0.00 C ATOM 1221 OE1 GLU A 85 9.989 -3.950 -0.229 1.00 0.00 O ATOM 1222 OE2 GLU A 85 9.397 -5.932 0.513 1.00 0.00 O ATOM 0 H GLU A 85 10.033 -3.518 -4.956 1.00 0.00 H new ATOM 0 HA GLU A 85 8.451 -5.776 -4.364 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.307 -4.750 -2.977 1.00 0.00 H new ATOM 0 HB3 GLU A 85 9.213 -3.446 -2.561 1.00 0.00 H new ATOM 0 HG2 GLU A 85 7.642 -5.122 -1.567 1.00 0.00 H new ATOM 0 HG3 GLU A 85 8.801 -6.388 -1.924 1.00 0.00 H new ATOM 1229 N ALA A 86 6.953 -2.847 -4.143 1.00 0.00 N ATOM 1230 CA ALA A 86 5.650 -2.201 -4.050 1.00 0.00 C ATOM 1231 C ALA A 86 4.711 -2.701 -5.143 1.00 0.00 C ATOM 1232 O ALA A 86 3.512 -2.868 -4.918 1.00 0.00 O ATOM 1233 CB ALA A 86 5.802 -0.691 -4.132 1.00 0.00 C ATOM 0 H ALA A 86 7.731 -2.206 -4.297 1.00 0.00 H new ATOM 0 HA ALA A 86 5.212 -2.458 -3.085 1.00 0.00 H new ATOM 0 HB1 ALA A 86 4.821 -0.222 -4.061 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.430 -0.343 -3.312 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.264 -0.423 -5.082 1.00 0.00 H new ATOM 1239 N VAL A 87 5.264 -2.936 -6.329 1.00 0.00 N ATOM 1240 CA VAL A 87 4.476 -3.416 -7.457 1.00 0.00 C ATOM 1241 C VAL A 87 3.974 -4.834 -7.211 1.00 0.00 C ATOM 1242 O VAL A 87 2.806 -5.141 -7.453 1.00 0.00 O ATOM 1243 CB VAL A 87 5.292 -3.393 -8.765 1.00 0.00 C ATOM 1244 CG1 VAL A 87 4.411 -3.747 -9.953 1.00 0.00 C ATOM 1245 CG2 VAL A 87 5.945 -2.032 -8.963 1.00 0.00 C ATOM 0 H VAL A 87 6.254 -2.802 -6.533 1.00 0.00 H new ATOM 0 HA VAL A 87 3.625 -2.743 -7.557 1.00 0.00 H new ATOM 0 HB VAL A 87 6.080 -4.142 -8.692 1.00 0.00 H new ATOM 0 HG11 VAL A 87 5.006 -3.725 -10.866 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.996 -4.745 -9.814 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.599 -3.024 -10.032 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.517 -2.034 -9.891 1.00 0.00 H new ATOM 0 HG22 VAL A 87 5.175 -1.263 -9.013 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.612 -1.823 -8.127 1.00 0.00 H new ATOM 1255 N ARG A 88 4.863 -5.696 -6.727 1.00 0.00 N ATOM 1256 CA ARG A 88 4.509 -7.082 -6.446 1.00 0.00 C ATOM 1257 C ARG A 88 3.552 -7.168 -5.261 1.00 0.00 C ATOM 1258 O ARG A 88 2.534 -7.858 -5.321 1.00 0.00 O ATOM 1259 CB ARG A 88 5.768 -7.904 -6.162 1.00 0.00 C ATOM 1260 CG ARG A 88 6.854 -7.734 -7.212 1.00 0.00 C ATOM 1261 CD ARG A 88 6.760 -8.804 -8.287 1.00 0.00 C ATOM 1262 NE ARG A 88 7.983 -8.889 -9.082 1.00 0.00 N ATOM 1263 CZ ARG A 88 8.107 -9.647 -10.170 1.00 0.00 C ATOM 1264 NH1 ARG A 88 7.090 -10.386 -10.594 1.00 0.00 N ATOM 1265 NH2 ARG A 88 9.254 -9.666 -10.836 1.00 0.00 N ATOM 0 H ARG A 88 5.833 -5.459 -6.521 1.00 0.00 H new ATOM 0 HA ARG A 88 4.009 -7.490 -7.324 1.00 0.00 H new ATOM 0 HB2 ARG A 88 6.167 -7.618 -5.189 1.00 0.00 H new ATOM 0 HB3 ARG A 88 5.497 -8.958 -6.098 1.00 0.00 H new ATOM 0 HG2 ARG A 88 6.768 -6.748 -7.669 1.00 0.00 H new ATOM 0 HG3 ARG A 88 7.833 -7.780 -6.735 1.00 0.00 H new ATOM 0 HD2 ARG A 88 6.562 -9.770 -7.821 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.916 -8.587 -8.942 1.00 0.00 H new ATOM 0 HE ARG A 88 8.788 -8.336 -8.787 1.00 0.00 H new ATOM 0 HH11 ARG A 88 6.206 -10.376 -10.086 1.00 0.00 H new ATOM 0 HH12 ARG A 88 7.192 -10.964 -11.428 1.00 0.00 H new ATOM 0 HH21 ARG A 88 10.040 -9.101 -10.515 1.00 0.00 H new ATOM 0 HH22 ARG A 88 9.350 -10.246 -11.669 1.00 0.00 H new ATOM 1279 N LEU A 89 3.888 -6.464 -4.185 1.00 0.00 N ATOM 1280 CA LEU A 89 3.059 -6.459 -2.985 1.00 0.00 C ATOM 1281 C LEU A 89 1.660 -5.935 -3.292 1.00 0.00 C ATOM 1282 O LEU A 89 0.681 -6.348 -2.670 1.00 0.00 O ATOM 1283 CB LEU A 89 3.709 -5.605 -1.895 1.00 0.00 C ATOM 1284 CG LEU A 89 2.989 -5.618 -0.545 1.00 0.00 C ATOM 1285 CD1 LEU A 89 2.991 -7.019 0.047 1.00 0.00 C ATOM 1286 CD2 LEU A 89 3.639 -4.631 0.413 1.00 0.00 C ATOM 0 H LEU A 89 4.728 -5.890 -4.119 1.00 0.00 H new ATOM 0 HA LEU A 89 2.972 -7.486 -2.629 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.732 -5.950 -1.747 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.768 -4.575 -2.248 1.00 0.00 H new ATOM 0 HG LEU A 89 1.954 -5.314 -0.702 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.475 -7.009 1.007 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.481 -7.702 -0.632 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.019 -7.352 0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.115 -4.653 1.369 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.683 -4.905 0.565 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.586 -3.627 -0.008 1.00 0.00 H new ATOM 1298 N LEU A 90 1.574 -5.023 -4.255 1.00 0.00 N ATOM 1299 CA LEU A 90 0.295 -4.442 -4.646 1.00 0.00 C ATOM 1300 C LEU A 90 -0.409 -5.321 -5.675 1.00 0.00 C ATOM 1301 O LEU A 90 -1.639 -5.366 -5.730 1.00 0.00 O ATOM 1302 CB LEU A 90 0.502 -3.037 -5.213 1.00 0.00 C ATOM 1303 CG LEU A 90 0.649 -1.931 -4.167 1.00 0.00 C ATOM 1304 CD1 LEU A 90 1.262 -0.686 -4.789 1.00 0.00 C ATOM 1305 CD2 LEU A 90 -0.699 -1.609 -3.540 1.00 0.00 C ATOM 0 H LEU A 90 2.375 -4.670 -4.779 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.334 -4.378 -3.758 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.393 -3.043 -5.841 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.342 -2.795 -5.859 1.00 0.00 H new ATOM 0 HG LEU A 90 1.317 -2.285 -3.382 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.359 0.090 -4.030 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.247 -0.927 -5.190 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.620 -0.328 -5.594 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.576 -0.820 -2.798 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.390 -1.275 -4.314 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -1.099 -2.501 -3.058 1.00 0.00 H new ATOM 1317 N LYS A 91 0.378 -6.018 -6.490 1.00 0.00 N ATOM 1318 CA LYS A 91 -0.172 -6.895 -7.517 1.00 0.00 C ATOM 1319 C LYS A 91 0.165 -8.355 -7.223 1.00 0.00 C ATOM 1320 O LYS A 91 0.965 -8.972 -7.926 1.00 0.00 O ATOM 1321 CB LYS A 91 0.366 -6.501 -8.894 1.00 0.00 C ATOM 1322 CG LYS A 91 -0.322 -5.282 -9.489 1.00 0.00 C ATOM 1323 CD LYS A 91 -0.169 -4.064 -8.593 1.00 0.00 C ATOM 1324 CE LYS A 91 -0.153 -2.776 -9.402 1.00 0.00 C ATOM 1325 NZ LYS A 91 1.080 -2.654 -10.228 1.00 0.00 N ATOM 0 H LYS A 91 1.397 -5.992 -6.459 1.00 0.00 H new ATOM 0 HA LYS A 91 -1.256 -6.784 -7.513 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.435 -6.302 -8.814 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.248 -7.343 -9.576 1.00 0.00 H new ATOM 0 HG2 LYS A 91 0.100 -5.068 -10.471 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -1.381 -5.496 -9.636 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.989 -4.034 -7.875 1.00 0.00 H new ATOM 0 HD3 LYS A 91 0.754 -4.146 -8.020 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -1.029 -2.744 -10.050 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -0.224 -1.923 -8.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.698 -1.922 -9.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 1.582 -3.565 -10.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.822 -2.390 -11.200 1.00 0.00 H new ATOM 1339 N SER A 92 -0.450 -8.900 -6.179 1.00 0.00 N ATOM 1340 CA SER A 92 -0.215 -10.286 -5.791 1.00 0.00 C ATOM 1341 C SER A 92 -1.097 -10.679 -4.611 1.00 0.00 C ATOM 1342 O SER A 92 -1.693 -11.757 -4.599 1.00 0.00 O ATOM 1343 CB SER A 92 1.257 -10.495 -5.433 1.00 0.00 C ATOM 1344 OG SER A 92 1.642 -11.847 -5.624 1.00 0.00 O ATOM 0 H SER A 92 -1.115 -8.403 -5.586 1.00 0.00 H new ATOM 0 HA SER A 92 -0.470 -10.922 -6.639 1.00 0.00 H new ATOM 0 HB2 SER A 92 1.880 -9.846 -6.048 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.426 -10.209 -4.395 1.00 0.00 H new ATOM 0 HG SER A 92 2.588 -11.954 -5.390 1.00 0.00 H new ATOM 1350 N SER A 93 -1.177 -9.798 -3.619 1.00 0.00 N ATOM 1351 CA SER A 93 -1.986 -10.054 -2.432 1.00 0.00 C ATOM 1352 C SER A 93 -3.473 -9.922 -2.749 1.00 0.00 C ATOM 1353 O SER A 93 -3.850 -9.389 -3.791 1.00 0.00 O ATOM 1354 CB SER A 93 -1.603 -9.087 -1.310 1.00 0.00 C ATOM 1355 OG SER A 93 -0.652 -9.669 -0.437 1.00 0.00 O ATOM 0 H SER A 93 -0.692 -8.901 -3.613 1.00 0.00 H new ATOM 0 HA SER A 93 -1.792 -11.075 -2.103 1.00 0.00 H new ATOM 0 HB2 SER A 93 -1.195 -8.171 -1.738 1.00 0.00 H new ATOM 0 HB3 SER A 93 -2.494 -8.807 -0.748 1.00 0.00 H new ATOM 0 HG SER A 93 -0.423 -9.030 0.270 1.00 0.00 H new ATOM 1361 N ARG A 94 -4.311 -10.411 -1.841 1.00 0.00 N ATOM 1362 CA ARG A 94 -5.757 -10.349 -2.023 1.00 0.00 C ATOM 1363 C ARG A 94 -6.301 -8.991 -1.592 1.00 0.00 C ATOM 1364 O ARG A 94 -6.632 -8.151 -2.428 1.00 0.00 O ATOM 1365 CB ARG A 94 -6.440 -11.462 -1.226 1.00 0.00 C ATOM 1366 CG ARG A 94 -6.436 -12.807 -1.935 1.00 0.00 C ATOM 1367 CD ARG A 94 -5.353 -13.723 -1.388 1.00 0.00 C ATOM 1368 NE ARG A 94 -5.795 -14.442 -0.196 1.00 0.00 N ATOM 1369 CZ ARG A 94 -4.979 -15.128 0.601 1.00 0.00 C ATOM 1370 NH1 ARG A 94 -3.680 -15.189 0.337 1.00 0.00 N ATOM 1371 NH2 ARG A 94 -5.464 -15.754 1.664 1.00 0.00 N ATOM 0 H ARG A 94 -4.014 -10.855 -0.972 1.00 0.00 H new ATOM 0 HA ARG A 94 -5.972 -10.486 -3.083 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -5.941 -11.567 -0.263 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -7.470 -11.171 -1.021 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.409 -13.283 -1.819 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -6.281 -12.656 -3.003 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -5.062 -14.439 -2.156 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -4.467 -13.135 -1.149 1.00 0.00 H new ATOM 0 HE ARG A 94 -6.787 -14.417 0.039 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -3.303 -14.709 -0.480 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -3.059 -15.716 0.951 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -6.462 -15.710 1.871 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -4.839 -16.280 2.275 1.00 0.00 H new ATOM 1385 N HIS A 95 -6.390 -8.782 -0.283 1.00 0.00 N ATOM 1386 CA HIS A 95 -6.894 -7.525 0.258 1.00 0.00 C ATOM 1387 C HIS A 95 -5.815 -6.448 0.227 1.00 0.00 C ATOM 1388 O HIS A 95 -4.699 -6.660 0.702 1.00 0.00 O ATOM 1389 CB HIS A 95 -7.393 -7.724 1.691 1.00 0.00 C ATOM 1390 CG HIS A 95 -8.658 -6.984 1.993 1.00 0.00 C ATOM 1391 ND1 HIS A 95 -9.566 -7.400 2.944 1.00 0.00 N ATOM 1392 CD2 HIS A 95 -9.166 -5.845 1.463 1.00 0.00 C ATOM 1393 CE1 HIS A 95 -10.578 -6.551 2.986 1.00 0.00 C ATOM 1394 NE2 HIS A 95 -10.359 -5.599 2.098 1.00 0.00 N ATOM 0 H HIS A 95 -6.120 -9.467 0.423 1.00 0.00 H new ATOM 0 HA HIS A 95 -7.726 -7.198 -0.366 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -7.553 -8.788 1.867 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -6.618 -7.400 2.385 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -9.471 -8.233 3.525 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -8.717 -5.243 0.687 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -11.438 -6.624 3.636 1.00 0.00 H new ATOM 1403 N LEU A 96 -6.154 -5.292 -0.336 1.00 0.00 N ATOM 1404 CA LEU A 96 -5.213 -4.182 -0.428 1.00 0.00 C ATOM 1405 C LEU A 96 -5.848 -2.887 0.066 1.00 0.00 C ATOM 1406 O LEU A 96 -6.636 -2.261 -0.643 1.00 0.00 O ATOM 1407 CB LEU A 96 -4.734 -4.011 -1.870 1.00 0.00 C ATOM 1408 CG LEU A 96 -4.015 -5.225 -2.462 1.00 0.00 C ATOM 1409 CD1 LEU A 96 -3.656 -4.974 -3.918 1.00 0.00 C ATOM 1410 CD2 LEU A 96 -2.770 -5.553 -1.653 1.00 0.00 C ATOM 0 H LEU A 96 -7.073 -5.100 -0.735 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.357 -4.411 0.207 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.594 -3.776 -2.497 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.063 -3.153 -1.915 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.689 -6.081 -2.417 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.145 -5.848 -4.323 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.565 -4.788 -4.490 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.000 -4.106 -3.987 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.271 -6.419 -2.088 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.092 -4.699 -1.666 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.053 -5.776 -0.624 1.00 0.00 H new ATOM 1422 N ILE A 97 -5.498 -2.489 1.284 1.00 0.00 N ATOM 1423 CA ILE A 97 -6.032 -1.268 1.873 1.00 0.00 C ATOM 1424 C ILE A 97 -5.026 -0.127 1.774 1.00 0.00 C ATOM 1425 O ILE A 97 -4.259 0.121 2.705 1.00 0.00 O ATOM 1426 CB ILE A 97 -6.411 -1.476 3.352 1.00 0.00 C ATOM 1427 CG1 ILE A 97 -7.285 -2.723 3.511 1.00 0.00 C ATOM 1428 CG2 ILE A 97 -7.129 -0.247 3.894 1.00 0.00 C ATOM 1429 CD1 ILE A 97 -6.854 -3.622 4.648 1.00 0.00 C ATOM 0 H ILE A 97 -4.846 -2.995 1.883 1.00 0.00 H new ATOM 0 HA ILE A 97 -6.929 -1.010 1.309 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.496 -1.622 3.926 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -8.318 -2.415 3.674 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -7.265 -3.292 2.581 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -7.390 -0.410 4.940 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.475 0.621 3.814 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -8.037 -0.072 3.317 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -7.518 -4.485 4.701 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.832 -3.960 4.477 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.901 -3.070 5.586 1.00 0.00 H new ATOM 1441 N LEU A 98 -5.033 0.564 0.638 1.00 0.00 N ATOM 1442 CA LEU A 98 -4.119 1.679 0.418 1.00 0.00 C ATOM 1443 C LEU A 98 -4.551 2.903 1.217 1.00 0.00 C ATOM 1444 O LEU A 98 -5.743 3.140 1.415 1.00 0.00 O ATOM 1445 CB LEU A 98 -4.052 2.024 -1.071 1.00 0.00 C ATOM 1446 CG LEU A 98 -3.135 1.124 -1.903 1.00 0.00 C ATOM 1447 CD1 LEU A 98 -3.940 0.033 -2.592 1.00 0.00 C ATOM 1448 CD2 LEU A 98 -2.367 1.946 -2.927 1.00 0.00 C ATOM 0 H LEU A 98 -5.660 0.372 -0.143 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.129 1.377 0.759 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -5.059 1.974 -1.486 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.715 3.055 -1.175 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.417 0.651 -1.232 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.271 -0.597 -3.179 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.446 -0.575 -1.842 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.681 0.488 -3.250 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.720 1.290 -3.509 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.070 2.447 -3.593 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.760 2.691 -2.414 1.00 0.00 H new ATOM 1460 N THR A 99 -3.575 3.681 1.674 1.00 0.00 N ATOM 1461 CA THR A 99 -3.852 4.882 2.453 1.00 0.00 C ATOM 1462 C THR A 99 -3.242 6.113 1.789 1.00 0.00 C ATOM 1463 O THR A 99 -2.130 6.521 2.122 1.00 0.00 O ATOM 1464 CB THR A 99 -3.308 4.731 3.874 1.00 0.00 C ATOM 1465 OG1 THR A 99 -3.648 3.465 4.409 1.00 0.00 O ATOM 1466 CG2 THR A 99 -3.823 5.787 4.828 1.00 0.00 C ATOM 0 H THR A 99 -2.583 3.500 1.518 1.00 0.00 H new ATOM 0 HA THR A 99 -4.933 5.014 2.499 1.00 0.00 H new ATOM 0 HB THR A 99 -2.228 4.844 3.783 1.00 0.00 H new ATOM 0 HG1 THR A 99 -3.584 3.495 5.386 1.00 0.00 H new ATOM 0 HG21 THR A 99 -3.398 5.621 5.818 1.00 0.00 H new ATOM 0 HG22 THR A 99 -3.533 6.774 4.469 1.00 0.00 H new ATOM 0 HG23 THR A 99 -4.910 5.727 4.885 1.00 0.00 H new ATOM 1474 N VAL A 100 -3.977 6.700 0.851 1.00 0.00 N ATOM 1475 CA VAL A 100 -3.508 7.884 0.142 1.00 0.00 C ATOM 1476 C VAL A 100 -4.155 9.148 0.698 1.00 0.00 C ATOM 1477 O VAL A 100 -5.327 9.146 1.071 1.00 0.00 O ATOM 1478 CB VAL A 100 -3.805 7.790 -1.366 1.00 0.00 C ATOM 1479 CG1 VAL A 100 -2.971 6.693 -2.009 1.00 0.00 C ATOM 1480 CG2 VAL A 100 -5.288 7.552 -1.604 1.00 0.00 C ATOM 0 H VAL A 100 -4.900 6.375 0.564 1.00 0.00 H new ATOM 0 HA VAL A 100 -2.429 7.935 0.289 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.534 8.738 -1.830 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.195 6.643 -3.074 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -1.912 6.913 -1.871 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.207 5.736 -1.543 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.479 7.488 -2.675 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -5.588 6.620 -1.126 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.861 8.377 -1.182 1.00 0.00 H new ATOM 1490 N LYS A 101 -3.382 10.229 0.750 1.00 0.00 N ATOM 1491 CA LYS A 101 -3.879 11.501 1.259 1.00 0.00 C ATOM 1492 C LYS A 101 -4.274 12.428 0.115 1.00 0.00 C ATOM 1493 O LYS A 101 -3.837 12.250 -1.022 1.00 0.00 O ATOM 1494 CB LYS A 101 -2.819 12.173 2.134 1.00 0.00 C ATOM 1495 CG LYS A 101 -1.555 12.547 1.378 1.00 0.00 C ATOM 1496 CD LYS A 101 -0.867 13.750 2.004 1.00 0.00 C ATOM 1497 CE LYS A 101 -1.336 15.052 1.372 1.00 0.00 C ATOM 1498 NZ LYS A 101 -0.258 15.708 0.581 1.00 0.00 N ATOM 0 H LYS A 101 -2.409 10.248 0.445 1.00 0.00 H new ATOM 0 HA LYS A 101 -4.765 11.302 1.862 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.245 13.072 2.581 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.558 11.503 2.953 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -0.871 11.699 1.369 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.803 12.768 0.340 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.070 13.770 3.075 1.00 0.00 H new ATOM 0 HD3 LYS A 101 0.212 13.655 1.886 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -2.191 14.854 0.725 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.678 15.732 2.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -0.681 16.248 -0.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 0.280 16.352 1.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 0.380 14.983 0.196 1.00 0.00 H new ATOM 1512 N ASP A 102 -5.103 13.419 0.423 1.00 0.00 N ATOM 1513 CA ASP A 102 -5.557 14.376 -0.580 1.00 0.00 C ATOM 1514 C ASP A 102 -4.382 15.156 -1.161 1.00 0.00 C ATOM 1515 O ASP A 102 -3.822 16.034 -0.506 1.00 0.00 O ATOM 1516 CB ASP A 102 -6.575 15.342 0.030 1.00 0.00 C ATOM 1517 CG ASP A 102 -8.003 14.866 -0.151 1.00 0.00 C ATOM 1518 OD1 ASP A 102 -8.406 13.919 0.556 1.00 0.00 O ATOM 1519 OD2 ASP A 102 -8.717 15.440 -1.000 1.00 0.00 O ATOM 0 H ASP A 102 -5.475 13.581 1.359 1.00 0.00 H new ATOM 0 HA ASP A 102 -6.033 13.819 -1.387 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -6.367 15.462 1.093 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -6.461 16.324 -0.430 1.00 0.00 H new ATOM 1524 N VAL A 103 -4.014 14.828 -2.395 1.00 0.00 N ATOM 1525 CA VAL A 103 -2.906 15.496 -3.065 1.00 0.00 C ATOM 1526 C VAL A 103 -3.348 16.088 -4.399 1.00 0.00 C ATOM 1527 O VAL A 103 -3.046 15.547 -5.463 1.00 0.00 O ATOM 1528 CB VAL A 103 -1.731 14.530 -3.308 1.00 0.00 C ATOM 1529 CG1 VAL A 103 -0.516 15.283 -3.826 1.00 0.00 C ATOM 1530 CG2 VAL A 103 -1.393 13.770 -2.033 1.00 0.00 C ATOM 0 H VAL A 103 -4.468 14.103 -2.951 1.00 0.00 H new ATOM 0 HA VAL A 103 -2.575 16.299 -2.406 1.00 0.00 H new ATOM 0 HB VAL A 103 -2.031 13.807 -4.067 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.303 14.583 -3.991 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.767 15.776 -4.765 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.212 16.031 -3.094 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -0.561 13.092 -2.223 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.114 14.477 -1.251 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -2.262 13.196 -1.710 1.00 0.00 H new ATOM 1540 N GLY A 104 -4.067 17.205 -4.335 1.00 0.00 N ATOM 1541 CA GLY A 104 -4.540 17.853 -5.544 1.00 0.00 C ATOM 1542 C GLY A 104 -5.365 19.092 -5.255 1.00 0.00 C ATOM 1543 O GLY A 104 -6.345 19.368 -5.946 1.00 0.00 O ATOM 0 H GLY A 104 -4.330 17.672 -3.467 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -3.686 18.126 -6.164 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -5.139 17.148 -6.120 1.00 0.00 H new ATOM 1547 N ARG A 105 -4.968 19.840 -4.230 1.00 0.00 N ATOM 1548 CA ARG A 105 -5.676 21.057 -3.852 1.00 0.00 C ATOM 1549 C ARG A 105 -4.799 22.286 -4.064 1.00 0.00 C ATOM 1550 O ARG A 105 -5.248 23.295 -4.608 1.00 0.00 O ATOM 1551 CB ARG A 105 -6.120 20.979 -2.390 1.00 0.00 C ATOM 1552 CG ARG A 105 -7.227 19.967 -2.143 1.00 0.00 C ATOM 1553 CD ARG A 105 -8.544 20.422 -2.749 1.00 0.00 C ATOM 1554 NE ARG A 105 -9.605 19.436 -2.557 1.00 0.00 N ATOM 1555 CZ ARG A 105 -10.223 19.228 -1.397 1.00 0.00 C ATOM 1556 NH1 ARG A 105 -9.892 19.936 -0.325 1.00 0.00 N ATOM 1557 NH2 ARG A 105 -11.177 18.310 -1.309 1.00 0.00 N ATOM 0 H ARG A 105 -4.160 19.624 -3.647 1.00 0.00 H new ATOM 0 HA ARG A 105 -6.556 21.148 -4.488 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -5.260 20.723 -1.771 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -6.461 21.963 -2.070 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -6.943 19.005 -2.569 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -7.351 19.817 -1.071 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -8.843 21.368 -2.298 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -8.408 20.606 -3.815 1.00 0.00 H new ATOM 0 HE ARG A 105 -9.889 18.874 -3.359 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -9.160 20.644 -0.387 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -10.369 19.772 0.562 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -11.437 17.764 -2.130 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -11.651 18.150 -0.420 1.00 0.00 H new ATOM 1571 N LEU A 106 -3.545 22.194 -3.634 1.00 0.00 N ATOM 1572 CA LEU A 106 -2.604 23.299 -3.780 1.00 0.00 C ATOM 1573 C LEU A 106 -1.218 22.787 -4.163 1.00 0.00 C ATOM 1574 O LEU A 106 -0.907 21.611 -3.976 1.00 0.00 O ATOM 1575 CB LEU A 106 -2.522 24.112 -2.484 1.00 0.00 C ATOM 1576 CG LEU A 106 -2.495 23.293 -1.188 1.00 0.00 C ATOM 1577 CD1 LEU A 106 -3.870 22.711 -0.889 1.00 0.00 C ATOM 1578 CD2 LEU A 106 -1.448 22.191 -1.270 1.00 0.00 C ATOM 0 H LEU A 106 -3.157 21.366 -3.182 1.00 0.00 H new ATOM 0 HA LEU A 106 -2.968 23.945 -4.579 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -1.625 24.730 -2.520 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -3.375 24.789 -2.447 1.00 0.00 H new ATOM 0 HG LEU A 106 -2.224 23.959 -0.369 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -3.828 22.134 0.035 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -4.592 23.520 -0.778 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -4.176 22.061 -1.709 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -1.445 21.622 -0.340 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -1.683 21.527 -2.102 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -0.465 22.634 -1.427 1.00 0.00 H new ATOM 1590 N PRO A 107 -0.362 23.670 -4.706 1.00 0.00 N ATOM 1591 CA PRO A 107 0.998 23.302 -5.114 1.00 0.00 C ATOM 1592 C PRO A 107 1.771 22.615 -3.994 1.00 0.00 C ATOM 1593 O PRO A 107 1.823 23.110 -2.868 1.00 0.00 O ATOM 1594 CB PRO A 107 1.642 24.646 -5.463 1.00 0.00 C ATOM 1595 CG PRO A 107 0.499 25.532 -5.824 1.00 0.00 C ATOM 1596 CD PRO A 107 -0.652 25.093 -4.963 1.00 0.00 C ATOM 0 HA PRO A 107 0.997 22.589 -5.939 1.00 0.00 H new ATOM 0 HB2 PRO A 107 2.203 25.047 -4.619 1.00 0.00 H new ATOM 0 HB3 PRO A 107 2.342 24.546 -6.292 1.00 0.00 H new ATOM 0 HG2 PRO A 107 0.744 26.579 -5.644 1.00 0.00 H new ATOM 0 HG3 PRO A 107 0.253 25.440 -6.882 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -0.703 25.666 -4.037 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -1.607 25.223 -5.472 1.00 0.00 H new ATOM 1604 N HIS A 108 2.372 21.473 -4.310 1.00 0.00 N ATOM 1605 CA HIS A 108 3.143 20.718 -3.330 1.00 0.00 C ATOM 1606 C HIS A 108 3.811 19.509 -3.977 1.00 0.00 C ATOM 1607 O HIS A 108 3.164 18.733 -4.680 1.00 0.00 O ATOM 1608 CB HIS A 108 2.240 20.266 -2.179 1.00 0.00 C ATOM 1609 CG HIS A 108 2.686 20.762 -0.838 1.00 0.00 C ATOM 1610 ND1 HIS A 108 2.251 20.212 0.350 1.00 0.00 N ATOM 1611 CD2 HIS A 108 3.533 21.762 -0.500 1.00 0.00 C ATOM 1612 CE1 HIS A 108 2.810 20.853 1.361 1.00 0.00 C ATOM 1613 NE2 HIS A 108 3.593 21.798 0.872 1.00 0.00 N ATOM 0 H HIS A 108 2.340 21.050 -5.238 1.00 0.00 H new ATOM 0 HA HIS A 108 3.922 21.370 -2.935 1.00 0.00 H new ATOM 0 HB2 HIS A 108 1.224 20.614 -2.367 1.00 0.00 H new ATOM 0 HB3 HIS A 108 2.205 19.177 -2.161 1.00 0.00 H new ATOM 0 HD2 HIS A 108 4.063 22.411 -1.182 1.00 0.00 H new ATOM 0 HE1 HIS A 108 2.654 20.641 2.408 1.00 0.00 H new ATOM 0 HE2 HIS A 108 4.152 22.449 1.424 1.00 0.00 H new ATOM 1622 N ALA A 109 5.109 19.354 -3.732 1.00 0.00 N ATOM 1623 CA ALA A 109 5.871 18.239 -4.289 1.00 0.00 C ATOM 1624 C ALA A 109 6.007 18.367 -5.803 1.00 0.00 C ATOM 1625 O ALA A 109 7.098 18.605 -6.319 1.00 0.00 O ATOM 1626 CB ALA A 109 5.217 16.914 -3.924 1.00 0.00 C ATOM 0 H ALA A 109 5.657 19.988 -3.150 1.00 0.00 H new ATOM 0 HA ALA A 109 6.872 18.266 -3.858 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.797 16.093 -4.347 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.181 16.812 -2.839 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.204 16.886 -4.324 1.00 0.00 H new ATOM 1632 N ARG A 110 4.893 18.205 -6.509 1.00 0.00 N ATOM 1633 CA ARG A 110 4.889 18.302 -7.963 1.00 0.00 C ATOM 1634 C ARG A 110 3.487 18.599 -8.485 1.00 0.00 C ATOM 1635 O ARG A 110 2.503 18.036 -8.005 1.00 0.00 O ATOM 1636 CB ARG A 110 5.416 17.005 -8.583 1.00 0.00 C ATOM 1637 CG ARG A 110 6.439 17.230 -9.685 1.00 0.00 C ATOM 1638 CD ARG A 110 7.604 16.259 -9.573 1.00 0.00 C ATOM 1639 NE ARG A 110 8.483 16.321 -10.738 1.00 0.00 N ATOM 1640 CZ ARG A 110 8.219 15.728 -11.900 1.00 0.00 C ATOM 1641 NH1 ARG A 110 7.103 15.026 -12.056 1.00 0.00 N ATOM 1642 NH2 ARG A 110 9.073 15.835 -12.908 1.00 0.00 N ATOM 0 H ARG A 110 3.981 18.006 -6.097 1.00 0.00 H new ATOM 0 HA ARG A 110 5.544 19.125 -8.250 1.00 0.00 H new ATOM 0 HB2 ARG A 110 5.866 16.394 -7.800 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.577 16.438 -8.987 1.00 0.00 H new ATOM 0 HG2 ARG A 110 5.959 17.114 -10.657 1.00 0.00 H new ATOM 0 HG3 ARG A 110 6.811 18.253 -9.634 1.00 0.00 H new ATOM 0 HD2 ARG A 110 8.178 16.484 -8.674 1.00 0.00 H new ATOM 0 HD3 ARG A 110 7.221 15.245 -9.462 1.00 0.00 H new ATOM 0 HE ARG A 110 9.351 16.850 -10.656 1.00 0.00 H new ATOM 0 HH11 ARG A 110 6.443 14.939 -11.283 1.00 0.00 H new ATOM 0 HH12 ARG A 110 6.906 14.574 -12.949 1.00 0.00 H new ATOM 0 HH21 ARG A 110 9.933 16.372 -12.793 1.00 0.00 H new ATOM 0 HH22 ARG A 110 8.871 15.380 -13.798 1.00 0.00 H new ATOM 1656 N THR A 111 3.403 19.489 -9.469 1.00 0.00 N ATOM 1657 CA THR A 111 2.120 19.861 -10.055 1.00 0.00 C ATOM 1658 C THR A 111 2.240 20.024 -11.567 1.00 0.00 C ATOM 1659 O THR A 111 3.202 20.610 -12.064 1.00 0.00 O ATOM 1660 CB THR A 111 1.609 21.159 -9.429 1.00 0.00 C ATOM 1661 OG1 THR A 111 1.654 21.086 -8.015 1.00 0.00 O ATOM 1662 CG2 THR A 111 0.188 21.496 -9.825 1.00 0.00 C ATOM 0 H THR A 111 4.207 19.966 -9.877 1.00 0.00 H new ATOM 0 HA THR A 111 1.408 19.062 -9.850 1.00 0.00 H new ATOM 0 HB THR A 111 2.269 21.940 -9.806 1.00 0.00 H new ATOM 0 HG1 THR A 111 2.104 21.881 -7.661 1.00 0.00 H new ATOM 0 HG21 THR A 111 -0.112 22.428 -9.346 1.00 0.00 H new ATOM 0 HG22 THR A 111 0.129 21.609 -10.908 1.00 0.00 H new ATOM 0 HG23 THR A 111 -0.478 20.694 -9.507 1.00 0.00 H new ATOM 1670 N THR A 112 1.257 19.500 -12.293 1.00 0.00 N ATOM 1671 CA THR A 112 1.252 19.588 -13.749 1.00 0.00 C ATOM 1672 C THR A 112 -0.166 19.468 -14.297 1.00 0.00 C ATOM 1673 O THR A 112 -0.387 18.865 -15.347 1.00 0.00 O ATOM 1674 CB THR A 112 2.138 18.494 -14.348 1.00 0.00 C ATOM 1675 OG1 THR A 112 2.093 17.322 -13.555 1.00 0.00 O ATOM 1676 CG2 THR A 112 3.589 18.904 -14.479 1.00 0.00 C ATOM 0 H THR A 112 0.454 19.010 -11.897 1.00 0.00 H new ATOM 0 HA THR A 112 1.649 20.563 -14.031 1.00 0.00 H new ATOM 0 HB THR A 112 1.737 18.312 -15.345 1.00 0.00 H new ATOM 0 HG1 THR A 112 2.664 16.634 -13.955 1.00 0.00 H new ATOM 0 HG21 THR A 112 4.162 18.083 -14.910 1.00 0.00 H new ATOM 0 HG22 THR A 112 3.663 19.778 -15.127 1.00 0.00 H new ATOM 0 HG23 THR A 112 3.989 19.147 -13.495 1.00 0.00 H new ATOM 1684 N VAL A 113 -1.123 20.046 -13.579 1.00 0.00 N ATOM 1685 CA VAL A 113 -2.520 20.003 -13.995 1.00 0.00 C ATOM 1686 C VAL A 113 -3.022 21.391 -14.381 1.00 0.00 C ATOM 1687 O VAL A 113 -3.784 21.543 -15.335 1.00 0.00 O ATOM 1688 CB VAL A 113 -3.422 19.436 -12.882 1.00 0.00 C ATOM 1689 CG1 VAL A 113 -3.157 17.952 -12.683 1.00 0.00 C ATOM 1690 CG2 VAL A 113 -3.211 20.201 -11.583 1.00 0.00 C ATOM 0 H VAL A 113 -0.957 20.549 -12.707 1.00 0.00 H new ATOM 0 HA VAL A 113 -2.570 19.346 -14.863 1.00 0.00 H new ATOM 0 HB VAL A 113 -4.462 19.558 -13.185 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -3.803 17.570 -11.893 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -3.363 17.418 -13.611 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -2.114 17.803 -12.402 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -3.856 19.787 -10.808 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -2.170 20.113 -11.274 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -3.456 21.252 -11.736 1.00 0.00 H new ATOM 1700 N ASP A 114 -2.587 22.400 -13.634 1.00 0.00 N ATOM 1701 CA ASP A 114 -2.991 23.776 -13.899 1.00 0.00 C ATOM 1702 C ASP A 114 -2.249 24.338 -15.106 1.00 0.00 C ATOM 1703 O ASP A 114 -1.088 24.737 -15.004 1.00 0.00 O ATOM 1704 CB ASP A 114 -2.731 24.651 -12.671 1.00 0.00 C ATOM 1705 CG ASP A 114 -1.270 24.653 -12.262 1.00 0.00 C ATOM 1706 OD1 ASP A 114 -0.789 23.608 -11.776 1.00 0.00 O ATOM 1707 OD2 ASP A 114 -0.609 25.700 -12.427 1.00 0.00 O ATOM 0 H ASP A 114 -1.955 22.291 -12.841 1.00 0.00 H new ATOM 0 HA ASP A 114 -4.059 23.779 -14.119 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -3.048 25.672 -12.882 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -3.338 24.294 -11.839 1.00 0.00 H new ATOM 1712 N GLU A 115 -2.926 24.368 -16.250 1.00 0.00 N ATOM 1713 CA GLU A 115 -2.331 24.882 -17.478 1.00 0.00 C ATOM 1714 C GLU A 115 -3.395 25.488 -18.386 1.00 0.00 C ATOM 1715 O GLU A 115 -3.278 25.446 -19.612 1.00 0.00 O ATOM 1716 CB GLU A 115 -1.588 23.765 -18.215 1.00 0.00 C ATOM 1717 CG GLU A 115 -0.298 24.224 -18.875 1.00 0.00 C ATOM 1718 CD GLU A 115 0.560 23.066 -19.345 1.00 0.00 C ATOM 1719 OE1 GLU A 115 0.411 21.955 -18.793 1.00 0.00 O ATOM 1720 OE2 GLU A 115 1.379 23.270 -20.264 1.00 0.00 O ATOM 0 H GLU A 115 -3.887 24.042 -16.352 1.00 0.00 H new ATOM 0 HA GLU A 115 -1.622 25.665 -17.209 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -1.361 22.965 -17.511 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -2.245 23.343 -18.975 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -0.537 24.863 -19.725 1.00 0.00 H new ATOM 0 HG3 GLU A 115 0.271 24.830 -18.170 1.00 0.00 H new ATOM 1727 N THR A 116 -4.435 26.050 -17.778 1.00 0.00 N ATOM 1728 CA THR A 116 -5.522 26.665 -18.534 1.00 0.00 C ATOM 1729 C THR A 116 -5.510 28.181 -18.367 1.00 0.00 C ATOM 1730 O THR A 116 -6.561 28.811 -18.248 1.00 0.00 O ATOM 1731 CB THR A 116 -6.868 26.100 -18.078 1.00 0.00 C ATOM 1732 OG1 THR A 116 -7.079 26.355 -16.701 1.00 0.00 O ATOM 1733 CG2 THR A 116 -6.995 24.607 -18.293 1.00 0.00 C ATOM 0 H THR A 116 -4.549 26.093 -16.765 1.00 0.00 H new ATOM 0 HA THR A 116 -5.376 26.433 -19.589 1.00 0.00 H new ATOM 0 HB THR A 116 -7.615 26.604 -18.692 1.00 0.00 H new ATOM 0 HG1 THR A 116 -7.946 25.987 -16.429 1.00 0.00 H new ATOM 0 HG21 THR A 116 -7.973 24.272 -17.948 1.00 0.00 H new ATOM 0 HG22 THR A 116 -6.887 24.382 -19.354 1.00 0.00 H new ATOM 0 HG23 THR A 116 -6.216 24.091 -17.732 1.00 0.00 H new ATOM 1741 N LYS A 117 -4.314 28.762 -18.362 1.00 0.00 N ATOM 1742 CA LYS A 117 -4.167 30.204 -18.211 1.00 0.00 C ATOM 1743 C LYS A 117 -4.212 30.901 -19.567 1.00 0.00 C ATOM 1744 O LYS A 117 -3.443 30.574 -20.471 1.00 0.00 O ATOM 1745 CB LYS A 117 -2.852 30.532 -17.501 1.00 0.00 C ATOM 1746 CG LYS A 117 -2.812 31.933 -16.909 1.00 0.00 C ATOM 1747 CD LYS A 117 -2.885 31.902 -15.391 1.00 0.00 C ATOM 1748 CE LYS A 117 -3.340 33.239 -14.827 1.00 0.00 C ATOM 1749 NZ LYS A 117 -4.780 33.220 -14.447 1.00 0.00 N ATOM 0 H LYS A 117 -3.434 28.256 -18.461 1.00 0.00 H new ATOM 0 HA LYS A 117 -4.999 30.567 -17.608 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -2.688 29.806 -16.705 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -2.030 30.422 -18.208 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -1.895 32.434 -17.219 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -3.643 32.518 -17.302 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -3.574 31.119 -15.075 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -1.906 31.648 -14.984 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -2.737 33.489 -13.954 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -3.170 34.022 -15.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -5.051 34.149 -14.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -5.357 33.007 -15.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -4.938 32.490 -13.723 1.00 0.00 H new ATOM 1763 N TRP A 118 -5.117 31.865 -19.701 1.00 0.00 N ATOM 1764 CA TRP A 118 -5.263 32.610 -20.947 1.00 0.00 C ATOM 1765 C TRP A 118 -5.611 31.677 -22.102 1.00 0.00 C ATOM 1766 O TRP A 118 -5.657 30.458 -21.937 1.00 0.00 O ATOM 1767 CB TRP A 118 -3.975 33.372 -21.263 1.00 0.00 C ATOM 1768 CG TRP A 118 -3.473 34.192 -20.115 1.00 0.00 C ATOM 1769 CD1 TRP A 118 -4.207 35.022 -19.318 1.00 0.00 C ATOM 1770 CD2 TRP A 118 -2.126 34.263 -19.635 1.00 0.00 C ATOM 1771 NE1 TRP A 118 -3.399 35.605 -18.371 1.00 0.00 N ATOM 1772 CE2 TRP A 118 -2.116 35.155 -18.545 1.00 0.00 C ATOM 1773 CE3 TRP A 118 -0.925 33.659 -20.020 1.00 0.00 C ATOM 1774 CZ2 TRP A 118 -0.955 35.455 -17.839 1.00 0.00 C ATOM 1775 CZ3 TRP A 118 0.227 33.958 -19.318 1.00 0.00 C ATOM 1776 CH2 TRP A 118 0.204 34.849 -18.237 1.00 0.00 C ATOM 0 H TRP A 118 -5.760 32.149 -18.962 1.00 0.00 H new ATOM 0 HA TRP A 118 -6.078 33.323 -20.821 1.00 0.00 H new ATOM 0 HB2 TRP A 118 -3.203 32.660 -21.557 1.00 0.00 H new ATOM 0 HB3 TRP A 118 -4.148 34.025 -22.118 1.00 0.00 H new ATOM 0 HD1 TRP A 118 -5.268 35.196 -19.417 1.00 0.00 H new ATOM 0 HE1 TRP A 118 -3.704 36.265 -17.656 1.00 0.00 H new ATOM 0 HE3 TRP A 118 -0.898 32.971 -20.852 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 -0.969 36.142 -17.006 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 1.160 33.497 -19.607 1.00 0.00 H new ATOM 0 HH2 TRP A 118 1.121 35.061 -17.707 1.00 0.00 H new ATOM 1787 N ILE A 119 -5.858 32.258 -23.272 1.00 0.00 N ATOM 1788 CA ILE A 119 -6.203 31.480 -24.456 1.00 0.00 C ATOM 1789 C ILE A 119 -4.951 31.025 -25.198 1.00 0.00 C ATOM 1790 O ILE A 119 -3.893 31.643 -25.088 1.00 0.00 O ATOM 1791 CB ILE A 119 -7.092 32.288 -25.420 1.00 0.00 C ATOM 1792 CG1 ILE A 119 -6.455 33.646 -25.718 1.00 0.00 C ATOM 1793 CG2 ILE A 119 -8.484 32.467 -24.834 1.00 0.00 C ATOM 1794 CD1 ILE A 119 -6.856 34.221 -27.060 1.00 0.00 C ATOM 0 H ILE A 119 -5.825 33.266 -23.425 1.00 0.00 H new ATOM 0 HA ILE A 119 -6.756 30.606 -24.110 1.00 0.00 H new ATOM 0 HB ILE A 119 -7.182 31.736 -26.356 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -6.733 34.349 -24.933 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -5.370 33.544 -25.685 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -9.100 33.040 -25.527 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -8.937 31.490 -24.668 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -8.414 33.000 -23.886 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -6.367 35.184 -27.204 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -6.553 33.538 -27.854 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -7.937 34.355 -27.090 1.00 0.00 H new ATOM 1806 N ALA A 120 -5.081 29.939 -25.954 1.00 0.00 N ATOM 1807 CA ALA A 120 -3.961 29.400 -26.716 1.00 0.00 C ATOM 1808 C ALA A 120 -4.449 28.588 -27.910 1.00 0.00 C ATOM 1809 O ALA A 120 -5.641 28.309 -28.038 1.00 0.00 O ATOM 1810 CB ALA A 120 -3.077 28.546 -25.820 1.00 0.00 C ATOM 0 H ALA A 120 -5.951 29.416 -26.055 1.00 0.00 H new ATOM 0 HA ALA A 120 -3.375 30.237 -27.095 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -2.245 28.150 -26.401 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -2.691 29.155 -25.002 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.661 27.720 -25.413 1.00 0.00 H new ATOM 1816 N SER A 121 -3.521 28.212 -28.783 1.00 0.00 N ATOM 1817 CA SER A 121 -3.857 27.431 -29.968 1.00 0.00 C ATOM 1818 C SER A 121 -2.925 26.232 -30.112 1.00 0.00 C ATOM 1819 O SER A 121 -2.423 25.949 -31.201 1.00 0.00 O ATOM 1820 CB SER A 121 -3.781 28.308 -31.219 1.00 0.00 C ATOM 1821 OG SER A 121 -2.438 28.626 -31.540 1.00 0.00 O ATOM 0 H SER A 121 -2.530 28.435 -28.692 1.00 0.00 H new ATOM 0 HA SER A 121 -4.876 27.062 -29.854 1.00 0.00 H new ATOM 0 HB2 SER A 121 -4.246 27.790 -32.058 1.00 0.00 H new ATOM 0 HB3 SER A 121 -4.347 29.226 -31.058 1.00 0.00 H new ATOM 0 HG SER A 121 -1.940 27.801 -31.718 1.00 0.00 H new ATOM 1827 N SER A 122 -2.699 25.529 -29.007 1.00 0.00 N ATOM 1828 CA SER A 122 -1.827 24.359 -29.011 1.00 0.00 C ATOM 1829 C SER A 122 -2.094 23.479 -27.795 1.00 0.00 C ATOM 1830 O SER A 122 -1.612 23.758 -26.696 1.00 0.00 O ATOM 1831 CB SER A 122 -0.360 24.791 -29.032 1.00 0.00 C ATOM 1832 OG SER A 122 0.437 23.858 -29.740 1.00 0.00 O ATOM 0 H SER A 122 -3.107 25.748 -28.098 1.00 0.00 H new ATOM 0 HA SER A 122 -2.040 23.780 -29.909 1.00 0.00 H new ATOM 0 HB2 SER A 122 -0.274 25.773 -29.496 1.00 0.00 H new ATOM 0 HB3 SER A 122 0.008 24.887 -28.011 1.00 0.00 H new ATOM 0 HG SER A 122 1.370 24.158 -29.740 1.00 0.00 H new ATOM 1838 N SER A 123 -2.864 22.415 -27.998 1.00 0.00 N ATOM 1839 CA SER A 123 -3.194 21.493 -26.918 1.00 0.00 C ATOM 1840 C SER A 123 -3.906 20.256 -27.457 1.00 0.00 C ATOM 1841 O SER A 123 -4.741 20.352 -28.357 1.00 0.00 O ATOM 1842 CB SER A 123 -4.073 22.188 -25.876 1.00 0.00 C ATOM 1843 OG SER A 123 -5.007 23.056 -26.494 1.00 0.00 O ATOM 0 H SER A 123 -3.271 22.170 -28.901 1.00 0.00 H new ATOM 0 HA SER A 123 -2.263 21.178 -26.446 1.00 0.00 H new ATOM 0 HB2 SER A 123 -4.602 21.440 -25.285 1.00 0.00 H new ATOM 0 HB3 SER A 123 -3.447 22.754 -25.187 1.00 0.00 H new ATOM 0 HG SER A 123 -5.558 23.487 -25.807 1.00 0.00 H new ATOM 1849 N GLY A 124 -3.571 19.096 -26.902 1.00 0.00 N ATOM 1850 CA GLY A 124 -4.188 17.859 -27.340 1.00 0.00 C ATOM 1851 C GLY A 124 -3.607 16.641 -26.643 1.00 0.00 C ATOM 1852 O GLY A 124 -3.099 15.732 -27.300 1.00 0.00 O ATOM 0 H GLY A 124 -2.883 18.991 -26.156 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -5.260 17.905 -27.151 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -4.058 17.754 -28.417 1.00 0.00 H new ATOM 1856 N PRO A 125 -3.668 16.596 -25.302 1.00 0.00 N ATOM 1857 CA PRO A 125 -3.138 15.470 -24.526 1.00 0.00 C ATOM 1858 C PRO A 125 -3.984 14.210 -24.679 1.00 0.00 C ATOM 1859 O PRO A 125 -3.456 13.116 -24.877 1.00 0.00 O ATOM 1860 CB PRO A 125 -3.192 15.977 -23.083 1.00 0.00 C ATOM 1861 CG PRO A 125 -4.284 16.989 -23.078 1.00 0.00 C ATOM 1862 CD PRO A 125 -4.256 17.636 -24.436 1.00 0.00 C ATOM 0 HA PRO A 125 -2.139 15.183 -24.855 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -3.401 15.166 -22.386 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -2.242 16.418 -22.783 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -5.250 16.520 -22.889 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -4.129 17.727 -22.291 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -5.256 17.916 -24.768 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -3.654 18.545 -24.435 1.00 0.00 H new ATOM 1870 N SER A 126 -5.300 14.373 -24.587 1.00 0.00 N ATOM 1871 CA SER A 126 -6.219 13.249 -24.716 1.00 0.00 C ATOM 1872 C SER A 126 -6.875 13.236 -26.093 1.00 0.00 C ATOM 1873 O SER A 126 -7.418 14.246 -26.542 1.00 0.00 O ATOM 1874 CB SER A 126 -7.294 13.312 -23.628 1.00 0.00 C ATOM 1875 OG SER A 126 -7.738 14.643 -23.428 1.00 0.00 O ATOM 0 H SER A 126 -5.753 15.272 -24.424 1.00 0.00 H new ATOM 0 HA SER A 126 -5.645 12.330 -24.598 1.00 0.00 H new ATOM 0 HB2 SER A 126 -8.138 12.682 -23.909 1.00 0.00 H new ATOM 0 HB3 SER A 126 -6.896 12.914 -22.695 1.00 0.00 H new ATOM 0 HG SER A 126 -8.425 14.657 -22.730 1.00 0.00 H new ATOM 1881 N SER A 127 -6.820 12.087 -26.759 1.00 0.00 N ATOM 1882 CA SER A 127 -7.409 11.943 -28.086 1.00 0.00 C ATOM 1883 C SER A 127 -8.229 10.661 -28.180 1.00 0.00 C ATOM 1884 O SER A 127 -7.725 9.569 -27.918 1.00 0.00 O ATOM 1885 CB SER A 127 -6.316 11.943 -29.154 1.00 0.00 C ATOM 1886 OG SER A 127 -5.462 10.822 -29.011 1.00 0.00 O ATOM 0 H SER A 127 -6.374 11.242 -26.402 1.00 0.00 H new ATOM 0 HA SER A 127 -8.073 12.791 -28.256 1.00 0.00 H new ATOM 0 HB2 SER A 127 -6.771 11.933 -30.144 1.00 0.00 H new ATOM 0 HB3 SER A 127 -5.732 12.860 -29.081 1.00 0.00 H new ATOM 0 HG SER A 127 -5.919 10.127 -28.493 1.00 0.00 H new ATOM 1892 N GLY A 128 -9.496 10.801 -28.557 1.00 0.00 N ATOM 1893 CA GLY A 128 -10.365 9.646 -28.680 1.00 0.00 C ATOM 1894 C GLY A 128 -11.295 9.744 -29.873 1.00 0.00 C ATOM 1895 O GLY A 128 -11.331 10.817 -30.511 1.00 0.00 O ATOM 1896 OXT GLY A 128 -11.985 8.746 -30.171 1.00 0.00 O ATOM 0 H GLY A 128 -9.936 11.694 -28.779 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -9.757 8.746 -28.770 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -10.956 9.541 -27.770 1.00 0.00 H new TER 1900 GLY A 128