USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 924 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 80 CYS SG : rot 81:sc= -0.103 USER MOD Set 1.2: A 95 CYS SG : rot -130:sc= 0.632 USER MOD Set 2.1: A 83 GLN : amide:sc= -2.98! C(o=-3!,f=-9.7!) USER MOD Set 2.2: A 93 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 54 MET CE :methyl -166:sc= -4.25! (180deg=-4.86!) USER MOD Set 3.2: A 58 CYS SG : rot 32:sc= -4.76! 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 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 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0.853 K(o=0.85,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.00154 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.284) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -5.24! C(o=-5.2!,f=-11!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot 30:sc= -0.399 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -1.77 X(o=-1.8,f=-1.7) USER MOD Single : A 44 THR OG1 : rot -14:sc= 0.0141 USER MOD Single : A 46 GLN : amide:sc= -0.156 K(o=-0.16,f=-2.2!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -6.55! C(o=-6.5!,f=-6!) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 63 THR OG1 : rot 42:sc= -0.0985 USER MOD Single : A 65 HIS : no HD1:sc= -0.838 K(o=-0.84,f=-1.7) USER MOD Single : A 67 CYS SG : rot -40:sc= -0.441 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ -115:sc= 0.00103 (180deg=0) USER MOD Single : A 86 CYS SG : rot 180:sc= -1.29 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot -70:sc= 1.18 USER MOD Single : A 102 CYS SG : rot -164:sc= 0.0359 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 87:sc= 1.25 USER MOD Single : A 110 GLN : amide:sc= -3.43! C(o=-3.4!,f=-10!) USER MOD Single : A 112 SER OG : rot -58:sc= 0.875 USER MOD Single : A 114 THR OG1 : rot -83:sc= 1.02 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -32.705 0.787 -1.583 1.00 0.00 N ATOM 2 CA GLY A 1 -32.508 -0.498 -2.228 1.00 0.00 C ATOM 3 C GLY A 1 -31.567 -0.414 -3.413 1.00 0.00 C ATOM 4 O GLY A 1 -31.809 0.342 -4.354 1.00 0.00 O ATOM 0 H1 GLY A 1 -33.356 0.676 -0.779 1.00 0.00 H new ATOM 0 H2 GLY A 1 -31.791 1.148 -1.241 1.00 0.00 H new ATOM 0 H3 GLY A 1 -33.109 1.460 -2.265 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -32.111 -1.208 -1.503 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -33.471 -0.886 -2.560 1.00 0.00 H new ATOM 8 N SER A 2 -30.490 -1.191 -3.368 1.00 0.00 N ATOM 9 CA SER A 2 -29.505 -1.197 -4.444 1.00 0.00 C ATOM 10 C SER A 2 -28.459 -2.284 -4.217 1.00 0.00 C ATOM 11 O SER A 2 -27.849 -2.361 -3.150 1.00 0.00 O ATOM 12 CB SER A 2 -28.824 0.168 -4.548 1.00 0.00 C ATOM 13 OG SER A 2 -27.712 0.118 -5.425 1.00 0.00 O ATOM 0 H SER A 2 -30.277 -1.825 -2.598 1.00 0.00 H new ATOM 0 HA SER A 2 -30.025 -1.407 -5.378 1.00 0.00 H new ATOM 0 HB2 SER A 2 -29.540 0.909 -4.905 1.00 0.00 H new ATOM 0 HB3 SER A 2 -28.497 0.491 -3.560 1.00 0.00 H new ATOM 0 HG SER A 2 -27.295 1.003 -5.475 1.00 0.00 H new ATOM 19 N SER A 3 -28.258 -3.123 -5.228 1.00 0.00 N ATOM 20 CA SER A 3 -27.289 -4.209 -5.138 1.00 0.00 C ATOM 21 C SER A 3 -26.474 -4.317 -6.424 1.00 0.00 C ATOM 22 O SER A 3 -26.986 -4.084 -7.518 1.00 0.00 O ATOM 23 CB SER A 3 -28.001 -5.535 -4.860 1.00 0.00 C ATOM 24 OG SER A 3 -28.308 -5.669 -3.483 1.00 0.00 O ATOM 0 H SER A 3 -28.753 -3.072 -6.118 1.00 0.00 H new ATOM 0 HA SER A 3 -26.610 -3.990 -4.314 1.00 0.00 H new ATOM 0 HB2 SER A 3 -28.918 -5.590 -5.447 1.00 0.00 H new ATOM 0 HB3 SER A 3 -27.369 -6.364 -5.178 1.00 0.00 H new ATOM 0 HG SER A 3 -28.764 -6.523 -3.331 1.00 0.00 H new ATOM 30 N GLY A 4 -25.201 -4.673 -6.282 1.00 0.00 N ATOM 31 CA GLY A 4 -24.334 -4.806 -7.439 1.00 0.00 C ATOM 32 C GLY A 4 -22.894 -5.084 -7.055 1.00 0.00 C ATOM 33 O GLY A 4 -22.383 -4.522 -6.087 1.00 0.00 O ATOM 0 H GLY A 4 -24.754 -4.872 -5.387 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -24.700 -5.614 -8.073 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.379 -3.891 -8.030 1.00 0.00 H new ATOM 37 N SER A 5 -22.239 -5.954 -7.816 1.00 0.00 N ATOM 38 CA SER A 5 -20.850 -6.310 -7.548 1.00 0.00 C ATOM 39 C SER A 5 -20.042 -5.080 -7.147 1.00 0.00 C ATOM 40 O SER A 5 -20.449 -3.946 -7.400 1.00 0.00 O ATOM 41 CB SER A 5 -20.223 -6.968 -8.779 1.00 0.00 C ATOM 42 OG SER A 5 -20.087 -6.039 -9.840 1.00 0.00 O ATOM 0 H SER A 5 -22.647 -6.426 -8.623 1.00 0.00 H new ATOM 0 HA SER A 5 -20.835 -7.018 -6.720 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.245 -7.374 -8.520 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.841 -7.806 -9.102 1.00 0.00 H new ATOM 0 HG SER A 5 -19.683 -6.483 -10.614 1.00 0.00 H new ATOM 48 N SER A 6 -18.893 -5.313 -6.521 1.00 0.00 N ATOM 49 CA SER A 6 -18.028 -4.225 -6.081 1.00 0.00 C ATOM 50 C SER A 6 -16.793 -4.119 -6.971 1.00 0.00 C ATOM 51 O SER A 6 -16.174 -5.125 -7.315 1.00 0.00 O ATOM 52 CB SER A 6 -17.605 -4.437 -4.626 1.00 0.00 C ATOM 53 OG SER A 6 -17.333 -3.201 -3.988 1.00 0.00 O ATOM 0 H SER A 6 -18.540 -6.246 -6.307 1.00 0.00 H new ATOM 0 HA SER A 6 -18.590 -3.294 -6.156 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.394 -4.962 -4.087 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.719 -5.071 -4.590 1.00 0.00 H new ATOM 0 HG SER A 6 -17.067 -3.364 -3.059 1.00 0.00 H new ATOM 59 N GLY A 7 -16.440 -2.891 -7.340 1.00 0.00 N ATOM 60 CA GLY A 7 -15.281 -2.675 -8.186 1.00 0.00 C ATOM 61 C GLY A 7 -14.164 -1.948 -7.465 1.00 0.00 C ATOM 62 O GLY A 7 -14.401 -0.950 -6.783 1.00 0.00 O ATOM 0 H GLY A 7 -16.936 -2.042 -7.068 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.913 -3.636 -8.544 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.578 -2.100 -9.063 1.00 0.00 H new ATOM 66 N PHE A 8 -12.942 -2.448 -7.614 1.00 0.00 N ATOM 67 CA PHE A 8 -11.784 -1.840 -6.968 1.00 0.00 C ATOM 68 C PHE A 8 -11.332 -0.594 -7.724 1.00 0.00 C ATOM 69 O PHE A 8 -11.192 -0.612 -8.947 1.00 0.00 O ATOM 70 CB PHE A 8 -10.633 -2.846 -6.887 1.00 0.00 C ATOM 71 CG PHE A 8 -11.035 -4.171 -6.307 1.00 0.00 C ATOM 72 CD1 PHE A 8 -11.753 -4.235 -5.123 1.00 0.00 C ATOM 73 CD2 PHE A 8 -10.695 -5.354 -6.944 1.00 0.00 C ATOM 74 CE1 PHE A 8 -12.124 -5.454 -4.587 1.00 0.00 C ATOM 75 CE2 PHE A 8 -11.063 -6.575 -6.412 1.00 0.00 C ATOM 76 CZ PHE A 8 -11.779 -6.625 -5.233 1.00 0.00 C ATOM 0 H PHE A 8 -12.728 -3.272 -8.176 1.00 0.00 H new ATOM 0 HA PHE A 8 -12.074 -1.547 -5.959 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -10.228 -3.004 -7.887 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -9.832 -2.422 -6.282 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -12.026 -3.322 -4.614 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -10.136 -5.321 -7.867 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -12.683 -5.491 -3.664 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -10.791 -7.489 -6.918 1.00 0.00 H new ATOM 0 HZ PHE A 8 -12.069 -7.578 -4.816 1.00 0.00 H new ATOM 86 N VAL A 9 -11.107 0.489 -6.986 1.00 0.00 N ATOM 87 CA VAL A 9 -10.671 1.745 -7.584 1.00 0.00 C ATOM 88 C VAL A 9 -9.440 1.539 -8.459 1.00 0.00 C ATOM 89 O VAL A 9 -9.472 1.787 -9.665 1.00 0.00 O ATOM 90 CB VAL A 9 -10.351 2.798 -6.507 1.00 0.00 C ATOM 91 CG1 VAL A 9 -9.989 4.128 -7.151 1.00 0.00 C ATOM 92 CG2 VAL A 9 -11.526 2.960 -5.555 1.00 0.00 C ATOM 0 H VAL A 9 -11.220 0.521 -5.973 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.495 2.105 -8.200 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.491 2.454 -5.932 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.766 4.860 -6.374 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.114 3.998 -7.788 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.827 4.481 -7.752 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.282 3.708 -4.800 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -12.405 3.281 -6.114 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.734 2.007 -5.068 1.00 0.00 H new ATOM 102 N LYS A 10 -8.354 1.081 -7.845 1.00 0.00 N ATOM 103 CA LYS A 10 -7.111 0.839 -8.567 1.00 0.00 C ATOM 104 C LYS A 10 -6.423 -0.424 -8.058 1.00 0.00 C ATOM 105 O LYS A 10 -6.448 -0.716 -6.862 1.00 0.00 O ATOM 106 CB LYS A 10 -6.171 2.038 -8.423 1.00 0.00 C ATOM 107 CG LYS A 10 -4.814 1.829 -9.072 1.00 0.00 C ATOM 108 CD LYS A 10 -3.924 3.050 -8.911 1.00 0.00 C ATOM 109 CE LYS A 10 -2.453 2.667 -8.872 1.00 0.00 C ATOM 110 NZ LYS A 10 -1.929 2.341 -10.228 1.00 0.00 N ATOM 0 H LYS A 10 -8.310 0.870 -6.848 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.354 0.700 -9.621 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.644 2.915 -8.865 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.029 2.252 -7.364 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.327 0.961 -8.627 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.946 1.611 -10.132 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.099 3.741 -9.736 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.188 3.576 -7.994 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.875 3.488 -8.447 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.319 1.808 -8.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.923 2.085 -10.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.464 1.541 -10.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.034 3.169 -10.849 1.00 0.00 H new ATOM 124 N SER A 11 -5.808 -1.167 -8.972 1.00 0.00 N ATOM 125 CA SER A 11 -5.116 -2.400 -8.615 1.00 0.00 C ATOM 126 C SER A 11 -3.725 -2.442 -9.242 1.00 0.00 C ATOM 127 O SER A 11 -3.554 -2.135 -10.421 1.00 0.00 O ATOM 128 CB SER A 11 -5.928 -3.615 -9.066 1.00 0.00 C ATOM 129 OG SER A 11 -6.118 -3.610 -10.471 1.00 0.00 O ATOM 0 H SER A 11 -5.775 -0.937 -9.965 1.00 0.00 H new ATOM 0 HA SER A 11 -5.009 -2.427 -7.531 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.415 -4.530 -8.769 1.00 0.00 H new ATOM 0 HB3 SER A 11 -6.896 -3.615 -8.565 1.00 0.00 H new ATOM 0 HG SER A 11 -6.638 -4.398 -10.734 1.00 0.00 H new ATOM 135 N GLY A 12 -2.734 -2.826 -8.443 1.00 0.00 N ATOM 136 CA GLY A 12 -1.371 -2.902 -8.936 1.00 0.00 C ATOM 137 C GLY A 12 -0.460 -3.676 -8.003 1.00 0.00 C ATOM 138 O GLY A 12 -0.842 -4.000 -6.879 1.00 0.00 O ATOM 0 H GLY A 12 -2.851 -3.086 -7.464 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.369 -3.376 -9.917 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.979 -1.894 -9.068 1.00 0.00 H new ATOM 142 N TRP A 13 0.747 -3.973 -8.471 1.00 0.00 N ATOM 143 CA TRP A 13 1.715 -4.715 -7.671 1.00 0.00 C ATOM 144 C TRP A 13 2.544 -3.772 -6.807 1.00 0.00 C ATOM 145 O TRP A 13 3.071 -2.770 -7.293 1.00 0.00 O ATOM 146 CB TRP A 13 2.633 -5.537 -8.576 1.00 0.00 C ATOM 147 CG TRP A 13 2.065 -6.875 -8.941 1.00 0.00 C ATOM 148 CD1 TRP A 13 1.593 -7.260 -10.163 1.00 0.00 C ATOM 149 CD2 TRP A 13 1.908 -8.004 -8.075 1.00 0.00 C ATOM 150 NE1 TRP A 13 1.152 -8.560 -10.109 1.00 0.00 N ATOM 151 CE2 TRP A 13 1.335 -9.040 -8.839 1.00 0.00 C ATOM 152 CE3 TRP A 13 2.197 -8.243 -6.728 1.00 0.00 C ATOM 153 CZ2 TRP A 13 1.046 -10.290 -8.300 1.00 0.00 C ATOM 154 CZ3 TRP A 13 1.910 -9.484 -6.195 1.00 0.00 C ATOM 155 CH2 TRP A 13 1.340 -10.496 -6.979 1.00 0.00 C ATOM 0 H TRP A 13 1.079 -3.712 -9.400 1.00 0.00 H new ATOM 0 HA TRP A 13 1.165 -5.390 -7.015 1.00 0.00 H new ATOM 0 HB2 TRP A 13 2.832 -4.974 -9.488 1.00 0.00 H new ATOM 0 HB3 TRP A 13 3.590 -5.681 -8.075 1.00 0.00 H new ATOM 0 HD1 TRP A 13 1.570 -6.634 -11.043 1.00 0.00 H new ATOM 0 HE1 TRP A 13 0.753 -9.083 -10.888 1.00 0.00 H new ATOM 0 HE3 TRP A 13 2.637 -7.470 -6.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 0.605 -11.070 -8.903 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.129 -9.678 -5.155 1.00 0.00 H new ATOM 0 HH2 TRP A 13 1.129 -11.456 -6.533 1.00 0.00 H new ATOM 166 N LEU A 14 2.658 -4.097 -5.524 1.00 0.00 N ATOM 167 CA LEU A 14 3.424 -3.278 -4.591 1.00 0.00 C ATOM 168 C LEU A 14 4.096 -4.144 -3.531 1.00 0.00 C ATOM 169 O LEU A 14 3.516 -5.120 -3.052 1.00 0.00 O ATOM 170 CB LEU A 14 2.515 -2.245 -3.922 1.00 0.00 C ATOM 171 CG LEU A 14 1.622 -1.431 -4.859 1.00 0.00 C ATOM 172 CD1 LEU A 14 0.677 -0.548 -4.060 1.00 0.00 C ATOM 173 CD2 LEU A 14 2.468 -0.590 -5.805 1.00 0.00 C ATOM 0 H LEU A 14 2.229 -4.923 -5.106 1.00 0.00 H new ATOM 0 HA LEU A 14 4.199 -2.759 -5.154 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.879 -2.762 -3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.139 -1.554 -3.356 1.00 0.00 H new ATOM 0 HG LEU A 14 1.026 -2.123 -5.454 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.049 0.024 -4.743 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.048 -1.171 -3.424 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.256 0.136 -3.440 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.816 -0.017 -6.465 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.090 0.093 -5.227 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.105 -1.243 -6.402 1.00 0.00 H new ATOM 185 N LEU A 15 5.321 -3.781 -3.166 1.00 0.00 N ATOM 186 CA LEU A 15 6.071 -4.523 -2.160 1.00 0.00 C ATOM 187 C LEU A 15 5.665 -4.096 -0.753 1.00 0.00 C ATOM 188 O LEU A 15 5.215 -2.970 -0.540 1.00 0.00 O ATOM 189 CB LEU A 15 7.574 -4.310 -2.355 1.00 0.00 C ATOM 190 CG LEU A 15 8.116 -4.601 -3.755 1.00 0.00 C ATOM 191 CD1 LEU A 15 9.346 -3.752 -4.038 1.00 0.00 C ATOM 192 CD2 LEU A 15 8.440 -6.080 -3.905 1.00 0.00 C ATOM 0 H LEU A 15 5.816 -2.977 -3.552 1.00 0.00 H new ATOM 0 HA LEU A 15 5.841 -5.582 -2.280 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.810 -3.276 -2.103 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.106 -4.941 -1.643 1.00 0.00 H new ATOM 0 HG LEU A 15 7.347 -4.343 -4.483 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.718 -3.973 -5.039 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.082 -2.696 -3.973 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.121 -3.978 -3.305 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.824 -6.268 -4.907 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.192 -6.364 -3.169 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.536 -6.668 -3.746 1.00 0.00 H new ATOM 204 N ARG A 16 5.829 -5.003 0.206 1.00 0.00 N ATOM 205 CA ARG A 16 5.480 -4.720 1.592 1.00 0.00 C ATOM 206 C ARG A 16 6.500 -5.336 2.546 1.00 0.00 C ATOM 207 O ARG A 16 6.765 -6.536 2.494 1.00 0.00 O ATOM 208 CB ARG A 16 4.082 -5.256 1.909 1.00 0.00 C ATOM 209 CG ARG A 16 3.484 -4.682 3.182 1.00 0.00 C ATOM 210 CD ARG A 16 2.088 -5.228 3.437 1.00 0.00 C ATOM 211 NE ARG A 16 2.118 -6.472 4.202 1.00 0.00 N ATOM 212 CZ ARG A 16 2.259 -7.671 3.649 1.00 0.00 C ATOM 213 NH1 ARG A 16 2.384 -7.788 2.334 1.00 0.00 N ATOM 214 NH2 ARG A 16 2.277 -8.757 4.411 1.00 0.00 N ATOM 0 H ARG A 16 6.201 -5.939 0.047 1.00 0.00 H new ATOM 0 HA ARG A 16 5.487 -3.639 1.728 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.419 -5.033 1.073 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.130 -6.341 1.997 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.129 -4.920 4.028 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.443 -3.595 3.108 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.501 -4.485 3.977 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.587 -5.400 2.485 1.00 0.00 H new ATOM 0 HE ARG A 16 2.026 -6.417 5.216 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.372 -6.956 1.745 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.492 -8.710 1.912 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.182 -8.672 5.423 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.385 -9.677 3.985 1.00 0.00 H new ATOM 228 N GLN A 17 7.067 -4.504 3.414 1.00 0.00 N ATOM 229 CA GLN A 17 8.059 -4.967 4.378 1.00 0.00 C ATOM 230 C GLN A 17 7.384 -5.569 5.606 1.00 0.00 C ATOM 231 O GLN A 17 6.931 -4.847 6.494 1.00 0.00 O ATOM 232 CB GLN A 17 8.972 -3.814 4.797 1.00 0.00 C ATOM 233 CG GLN A 17 10.319 -4.268 5.333 1.00 0.00 C ATOM 234 CD GLN A 17 11.145 -3.122 5.883 1.00 0.00 C ATOM 235 OE1 GLN A 17 11.157 -2.872 7.089 1.00 0.00 O ATOM 236 NE2 GLN A 17 11.842 -2.417 5.000 1.00 0.00 N ATOM 0 H GLN A 17 6.857 -3.507 3.470 1.00 0.00 H new ATOM 0 HA GLN A 17 8.660 -5.741 3.900 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.133 -3.160 3.940 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.468 -3.221 5.560 1.00 0.00 H new ATOM 0 HG2 GLN A 17 10.163 -5.008 6.118 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.875 -4.762 4.536 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.803 -2.659 4.010 1.00 0.00 H new ATOM 0 HE22 GLN A 17 12.416 -1.634 5.312 1.00 0.00 H new ATOM 245 N SER A 18 7.320 -6.896 5.650 1.00 0.00 N ATOM 246 CA SER A 18 6.697 -7.595 6.768 1.00 0.00 C ATOM 247 C SER A 18 7.508 -7.408 8.046 1.00 0.00 C ATOM 248 O SER A 18 8.665 -6.988 8.006 1.00 0.00 O ATOM 249 CB SER A 18 6.559 -9.086 6.451 1.00 0.00 C ATOM 250 OG SER A 18 5.392 -9.339 5.689 1.00 0.00 O ATOM 0 H SER A 18 7.692 -7.509 4.924 1.00 0.00 H new ATOM 0 HA SER A 18 5.705 -7.170 6.923 1.00 0.00 H new ATOM 0 HB2 SER A 18 7.437 -9.427 5.902 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.522 -9.656 7.379 1.00 0.00 H new ATOM 0 HG SER A 18 5.328 -10.298 5.498 1.00 0.00 H new ATOM 256 N THR A 19 6.893 -7.722 9.182 1.00 0.00 N ATOM 257 CA THR A 19 7.555 -7.588 10.473 1.00 0.00 C ATOM 258 C THR A 19 8.380 -8.828 10.799 1.00 0.00 C ATOM 259 O THR A 19 9.505 -8.725 11.288 1.00 0.00 O ATOM 260 CB THR A 19 6.538 -7.349 11.604 1.00 0.00 C ATOM 261 OG1 THR A 19 5.512 -8.348 11.559 1.00 0.00 O ATOM 262 CG2 THR A 19 5.913 -5.967 11.488 1.00 0.00 C ATOM 0 H THR A 19 5.936 -8.071 9.234 1.00 0.00 H new ATOM 0 HA THR A 19 8.216 -6.724 10.401 1.00 0.00 H new ATOM 0 HB THR A 19 7.065 -7.412 12.556 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.870 -8.190 12.282 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.198 -5.822 12.298 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.693 -5.208 11.552 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.399 -5.879 10.531 1.00 0.00 H new ATOM 270 N ILE A 20 7.814 -9.998 10.525 1.00 0.00 N ATOM 271 CA ILE A 20 8.498 -11.258 10.788 1.00 0.00 C ATOM 272 C ILE A 20 9.616 -11.497 9.779 1.00 0.00 C ATOM 273 O ILE A 20 10.736 -11.851 10.149 1.00 0.00 O ATOM 274 CB ILE A 20 7.522 -12.448 10.748 1.00 0.00 C ATOM 275 CG1 ILE A 20 6.502 -12.338 11.884 1.00 0.00 C ATOM 276 CG2 ILE A 20 8.285 -13.761 10.840 1.00 0.00 C ATOM 277 CD1 ILE A 20 5.456 -13.430 11.864 1.00 0.00 C ATOM 0 H ILE A 20 6.883 -10.100 10.121 1.00 0.00 H new ATOM 0 HA ILE A 20 8.924 -11.183 11.788 1.00 0.00 H new ATOM 0 HB ILE A 20 6.985 -12.427 9.800 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.028 -12.367 12.838 1.00 0.00 H new ATOM 0 HG13 ILE A 20 6.006 -11.369 11.823 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.582 -14.593 10.811 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.976 -13.840 10.001 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.845 -13.792 11.775 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.767 -13.289 12.697 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.904 -13.388 10.925 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.942 -14.401 11.956 1.00 0.00 H new ATOM 289 N LEU A 21 9.305 -11.299 8.503 1.00 0.00 N ATOM 290 CA LEU A 21 10.284 -11.492 7.438 1.00 0.00 C ATOM 291 C LEU A 21 11.250 -10.313 7.367 1.00 0.00 C ATOM 292 O LEU A 21 12.404 -10.465 6.967 1.00 0.00 O ATOM 293 CB LEU A 21 9.577 -11.669 6.094 1.00 0.00 C ATOM 294 CG LEU A 21 8.627 -12.863 5.987 1.00 0.00 C ATOM 295 CD1 LEU A 21 7.627 -12.650 4.861 1.00 0.00 C ATOM 296 CD2 LEU A 21 9.410 -14.150 5.772 1.00 0.00 C ATOM 0 H LEU A 21 8.383 -11.005 8.180 1.00 0.00 H new ATOM 0 HA LEU A 21 10.855 -12.393 7.662 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.013 -10.761 5.881 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.335 -11.763 5.317 1.00 0.00 H new ATOM 0 HG LEU A 21 8.075 -12.949 6.923 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.959 -13.509 4.800 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.044 -11.751 5.058 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.160 -12.537 3.917 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.718 -14.989 5.698 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.988 -14.075 4.851 1.00 0.00 H new ATOM 0 HD23 LEU A 21 10.085 -14.310 6.612 1.00 0.00 H new ATOM 308 N LYS A 22 10.770 -9.138 7.758 1.00 0.00 N ATOM 309 CA LYS A 22 11.590 -7.932 7.742 1.00 0.00 C ATOM 310 C LYS A 22 12.236 -7.731 6.375 1.00 0.00 C ATOM 311 O LYS A 22 13.405 -7.359 6.279 1.00 0.00 O ATOM 312 CB LYS A 22 12.671 -8.012 8.822 1.00 0.00 C ATOM 313 CG LYS A 22 12.203 -7.538 10.187 1.00 0.00 C ATOM 314 CD LYS A 22 13.367 -7.065 11.042 1.00 0.00 C ATOM 315 CE LYS A 22 13.059 -7.199 12.526 1.00 0.00 C ATOM 316 NZ LYS A 22 13.417 -8.547 13.047 1.00 0.00 N ATOM 0 H LYS A 22 9.816 -8.995 8.090 1.00 0.00 H new ATOM 0 HA LYS A 22 10.942 -7.079 7.947 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.016 -9.043 8.903 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.527 -7.413 8.512 1.00 0.00 H new ATOM 0 HG2 LYS A 22 11.486 -6.726 10.065 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.682 -8.349 10.696 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.257 -7.646 10.800 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.592 -6.024 10.809 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.607 -6.438 13.081 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.998 -7.014 12.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.192 -8.598 14.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.875 -9.272 12.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.434 -8.714 12.909 1.00 0.00 H new ATOM 330 N ARG A 23 11.466 -7.979 5.320 1.00 0.00 N ATOM 331 CA ARG A 23 11.964 -7.826 3.958 1.00 0.00 C ATOM 332 C ARG A 23 10.848 -7.378 3.019 1.00 0.00 C ATOM 333 O ARG A 23 9.669 -7.616 3.281 1.00 0.00 O ATOM 334 CB ARG A 23 12.567 -9.141 3.461 1.00 0.00 C ATOM 335 CG ARG A 23 11.561 -10.277 3.372 1.00 0.00 C ATOM 336 CD ARG A 23 12.246 -11.633 3.423 1.00 0.00 C ATOM 337 NE ARG A 23 12.930 -11.949 2.172 1.00 0.00 N ATOM 338 CZ ARG A 23 12.325 -12.489 1.120 1.00 0.00 C ATOM 339 NH1 ARG A 23 11.031 -12.772 1.168 1.00 0.00 N ATOM 340 NH2 ARG A 23 13.016 -12.747 0.016 1.00 0.00 N ATOM 0 H ARG A 23 10.495 -8.287 5.382 1.00 0.00 H new ATOM 0 HA ARG A 23 12.739 -7.060 3.965 1.00 0.00 H new ATOM 0 HB2 ARG A 23 13.008 -8.980 2.477 1.00 0.00 H new ATOM 0 HB3 ARG A 23 13.376 -9.435 4.129 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.847 -10.198 4.192 1.00 0.00 H new ATOM 0 HG3 ARG A 23 10.993 -10.190 2.446 1.00 0.00 H new ATOM 0 HD2 ARG A 23 12.965 -11.645 4.242 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.506 -12.405 3.637 1.00 0.00 H new ATOM 0 HE ARG A 23 13.927 -11.744 2.102 1.00 0.00 H new ATOM 0 HH11 ARG A 23 10.497 -12.575 2.014 1.00 0.00 H new ATOM 0 HH12 ARG A 23 10.569 -13.187 0.358 1.00 0.00 H new ATOM 0 HH21 ARG A 23 14.012 -12.531 -0.025 1.00 0.00 H new ATOM 0 HH22 ARG A 23 12.551 -13.162 -0.792 1.00 0.00 H new ATOM 354 N TRP A 24 11.228 -6.729 1.924 1.00 0.00 N ATOM 355 CA TRP A 24 10.259 -6.247 0.946 1.00 0.00 C ATOM 356 C TRP A 24 9.744 -7.392 0.081 1.00 0.00 C ATOM 357 O TRP A 24 10.466 -7.916 -0.768 1.00 0.00 O ATOM 358 CB TRP A 24 10.888 -5.168 0.064 1.00 0.00 C ATOM 359 CG TRP A 24 11.259 -3.926 0.817 1.00 0.00 C ATOM 360 CD1 TRP A 24 12.480 -3.625 1.351 1.00 0.00 C ATOM 361 CD2 TRP A 24 10.403 -2.820 1.121 1.00 0.00 C ATOM 362 NE1 TRP A 24 12.433 -2.399 1.968 1.00 0.00 N ATOM 363 CE2 TRP A 24 11.170 -1.884 1.841 1.00 0.00 C ATOM 364 CE3 TRP A 24 9.062 -2.529 0.853 1.00 0.00 C ATOM 365 CZ2 TRP A 24 10.640 -0.680 2.296 1.00 0.00 C ATOM 366 CZ3 TRP A 24 8.538 -1.333 1.306 1.00 0.00 C ATOM 367 CH2 TRP A 24 9.325 -0.420 2.020 1.00 0.00 C ATOM 0 H TRP A 24 12.200 -6.524 1.691 1.00 0.00 H new ATOM 0 HA TRP A 24 9.416 -5.818 1.487 1.00 0.00 H new ATOM 0 HB2 TRP A 24 11.779 -5.574 -0.414 1.00 0.00 H new ATOM 0 HB3 TRP A 24 10.190 -4.907 -0.732 1.00 0.00 H new ATOM 0 HD1 TRP A 24 13.353 -4.258 1.296 1.00 0.00 H new ATOM 0 HE1 TRP A 24 13.213 -1.945 2.444 1.00 0.00 H new ATOM 0 HE3 TRP A 24 8.447 -3.226 0.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 11.245 0.024 2.847 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 7.503 -1.098 1.106 1.00 0.00 H new ATOM 0 HH2 TRP A 24 8.886 0.507 2.359 1.00 0.00 H new ATOM 378 N LYS A 25 8.492 -7.778 0.302 1.00 0.00 N ATOM 379 CA LYS A 25 7.879 -8.860 -0.458 1.00 0.00 C ATOM 380 C LYS A 25 6.782 -8.328 -1.376 1.00 0.00 C ATOM 381 O LYS A 25 6.001 -7.460 -0.987 1.00 0.00 O ATOM 382 CB LYS A 25 7.299 -9.912 0.490 1.00 0.00 C ATOM 383 CG LYS A 25 5.976 -9.505 1.114 1.00 0.00 C ATOM 384 CD LYS A 25 5.553 -10.473 2.206 1.00 0.00 C ATOM 385 CE LYS A 25 5.047 -11.784 1.623 1.00 0.00 C ATOM 386 NZ LYS A 25 5.224 -12.918 2.572 1.00 0.00 N ATOM 0 H LYS A 25 7.882 -7.357 1.002 1.00 0.00 H new ATOM 0 HA LYS A 25 8.652 -9.320 -1.074 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.162 -10.845 -0.057 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.020 -10.111 1.283 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.062 -8.501 1.530 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.206 -9.466 0.343 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.397 -10.669 2.867 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.771 -10.018 2.814 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.992 -11.685 1.368 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.580 -11.999 0.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.664 -13.732 2.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.229 -13.183 2.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.903 -12.632 3.519 1.00 0.00 H new ATOM 400 N LYS A 26 6.730 -8.855 -2.594 1.00 0.00 N ATOM 401 CA LYS A 26 5.728 -8.435 -3.567 1.00 0.00 C ATOM 402 C LYS A 26 4.331 -8.862 -3.127 1.00 0.00 C ATOM 403 O LYS A 26 4.122 -10.001 -2.712 1.00 0.00 O ATOM 404 CB LYS A 26 6.044 -9.026 -4.943 1.00 0.00 C ATOM 405 CG LYS A 26 5.573 -8.161 -6.099 1.00 0.00 C ATOM 406 CD LYS A 26 6.212 -8.586 -7.410 1.00 0.00 C ATOM 407 CE LYS A 26 5.568 -7.887 -8.597 1.00 0.00 C ATOM 408 NZ LYS A 26 5.644 -8.711 -9.835 1.00 0.00 N ATOM 0 H LYS A 26 7.370 -9.574 -2.931 1.00 0.00 H new ATOM 0 HA LYS A 26 5.753 -7.347 -3.631 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.121 -9.175 -5.027 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.579 -10.009 -5.023 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.488 -8.225 -6.184 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.816 -7.118 -5.896 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.278 -8.358 -7.387 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.119 -9.666 -7.528 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.524 -7.671 -8.368 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.062 -6.930 -8.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.194 -8.199 -10.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.640 -8.896 -10.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.151 -9.614 -9.682 1.00 0.00 H new ATOM 422 N ASN A 27 3.378 -7.940 -3.223 1.00 0.00 N ATOM 423 CA ASN A 27 2.000 -8.222 -2.836 1.00 0.00 C ATOM 424 C ASN A 27 1.018 -7.547 -3.789 1.00 0.00 C ATOM 425 O ASN A 27 1.376 -6.612 -4.505 1.00 0.00 O ATOM 426 CB ASN A 27 1.744 -7.750 -1.404 1.00 0.00 C ATOM 427 CG ASN A 27 2.681 -8.399 -0.404 1.00 0.00 C ATOM 428 OD1 ASN A 27 3.577 -7.750 0.137 1.00 0.00 O ATOM 429 ND2 ASN A 27 2.479 -9.688 -0.155 1.00 0.00 N ATOM 0 H ASN A 27 3.535 -6.992 -3.565 1.00 0.00 H new ATOM 0 HA ASN A 27 1.847 -9.300 -2.889 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.859 -6.667 -1.355 1.00 0.00 H new ATOM 0 HB3 ASN A 27 0.713 -7.974 -1.130 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.079 -10.179 0.508 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.724 -10.186 -0.626 1.00 0.00 H new ATOM 436 N TRP A 28 -0.220 -8.028 -3.792 1.00 0.00 N ATOM 437 CA TRP A 28 -1.254 -7.470 -4.656 1.00 0.00 C ATOM 438 C TRP A 28 -2.250 -6.644 -3.851 1.00 0.00 C ATOM 439 O TRP A 28 -2.993 -7.178 -3.028 1.00 0.00 O ATOM 440 CB TRP A 28 -1.984 -8.590 -5.399 1.00 0.00 C ATOM 441 CG TRP A 28 -2.904 -8.090 -6.472 1.00 0.00 C ATOM 442 CD1 TRP A 28 -4.257 -8.264 -6.538 1.00 0.00 C ATOM 443 CD2 TRP A 28 -2.536 -7.337 -7.633 1.00 0.00 C ATOM 444 NE1 TRP A 28 -4.752 -7.664 -7.671 1.00 0.00 N ATOM 445 CE2 TRP A 28 -3.717 -7.087 -8.358 1.00 0.00 C ATOM 446 CE3 TRP A 28 -1.325 -6.847 -8.129 1.00 0.00 C ATOM 447 CZ2 TRP A 28 -3.720 -6.371 -9.553 1.00 0.00 C ATOM 448 CZ3 TRP A 28 -1.329 -6.137 -9.314 1.00 0.00 C ATOM 449 CH2 TRP A 28 -2.520 -5.904 -10.015 1.00 0.00 C ATOM 0 H TRP A 28 -0.532 -8.803 -3.206 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.772 -6.815 -5.382 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.249 -9.260 -5.844 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.558 -9.177 -4.683 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -4.850 -8.795 -5.808 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.732 -7.651 -7.954 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.402 -7.020 -7.595 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.637 -6.191 -10.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.398 -5.755 -9.707 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -2.490 -5.345 -10.938 1.00 0.00 H new ATOM 460 N PHE A 29 -2.260 -5.337 -4.093 1.00 0.00 N ATOM 461 CA PHE A 29 -3.165 -4.436 -3.388 1.00 0.00 C ATOM 462 C PHE A 29 -4.367 -4.083 -4.259 1.00 0.00 C ATOM 463 O PHE A 29 -4.326 -4.227 -5.481 1.00 0.00 O ATOM 464 CB PHE A 29 -2.429 -3.161 -2.974 1.00 0.00 C ATOM 465 CG PHE A 29 -1.462 -3.367 -1.842 1.00 0.00 C ATOM 466 CD1 PHE A 29 -0.173 -3.810 -2.087 1.00 0.00 C ATOM 467 CD2 PHE A 29 -1.844 -3.119 -0.534 1.00 0.00 C ATOM 468 CE1 PHE A 29 0.719 -4.001 -1.049 1.00 0.00 C ATOM 469 CE2 PHE A 29 -0.957 -3.308 0.509 1.00 0.00 C ATOM 470 CZ PHE A 29 0.326 -3.750 0.251 1.00 0.00 C ATOM 0 H PHE A 29 -1.652 -4.878 -4.772 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.523 -4.947 -2.494 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.889 -2.767 -3.835 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.160 -2.407 -2.684 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.139 -4.009 -3.102 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.846 -2.774 -0.327 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.722 -4.346 -1.254 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.267 -3.110 1.525 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.021 -3.899 1.064 1.00 0.00 H new ATOM 480 N ASP A 30 -5.436 -3.620 -3.621 1.00 0.00 N ATOM 481 CA ASP A 30 -6.651 -3.245 -4.336 1.00 0.00 C ATOM 482 C ASP A 30 -7.547 -2.371 -3.464 1.00 0.00 C ATOM 483 O ASP A 30 -8.043 -2.812 -2.427 1.00 0.00 O ATOM 484 CB ASP A 30 -7.412 -4.494 -4.781 1.00 0.00 C ATOM 485 CG ASP A 30 -6.622 -5.334 -5.765 1.00 0.00 C ATOM 486 OD1 ASP A 30 -5.823 -6.182 -5.315 1.00 0.00 O ATOM 487 OD2 ASP A 30 -6.803 -5.145 -6.986 1.00 0.00 O ATOM 0 H ASP A 30 -5.486 -3.495 -2.610 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.363 -2.672 -5.217 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.656 -5.098 -3.907 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.356 -4.197 -5.237 1.00 0.00 H new ATOM 492 N LEU A 31 -7.750 -1.129 -3.891 1.00 0.00 N ATOM 493 CA LEU A 31 -8.586 -0.192 -3.149 1.00 0.00 C ATOM 494 C LEU A 31 -10.051 -0.333 -3.551 1.00 0.00 C ATOM 495 O LEU A 31 -10.364 -0.577 -4.716 1.00 0.00 O ATOM 496 CB LEU A 31 -8.115 1.243 -3.389 1.00 0.00 C ATOM 497 CG LEU A 31 -8.631 2.293 -2.404 1.00 0.00 C ATOM 498 CD1 LEU A 31 -7.797 2.287 -1.133 1.00 0.00 C ATOM 499 CD2 LEU A 31 -8.623 3.673 -3.044 1.00 0.00 C ATOM 0 H LEU A 31 -7.347 -0.748 -4.747 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.496 -0.424 -2.088 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.025 1.255 -3.364 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.414 1.539 -4.394 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.659 2.043 -2.140 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.179 3.040 -0.444 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.855 1.304 -0.665 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.759 2.512 -1.378 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.993 4.408 -2.329 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.606 3.932 -3.337 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.264 3.669 -3.925 1.00 0.00 H new ATOM 511 N TRP A 32 -10.943 -0.175 -2.580 1.00 0.00 N ATOM 512 CA TRP A 32 -12.375 -0.282 -2.834 1.00 0.00 C ATOM 513 C TRP A 32 -12.997 1.096 -3.034 1.00 0.00 C ATOM 514 O TRP A 32 -12.397 2.114 -2.690 1.00 0.00 O ATOM 515 CB TRP A 32 -13.066 -1.004 -1.676 1.00 0.00 C ATOM 516 CG TRP A 32 -12.725 -2.461 -1.596 1.00 0.00 C ATOM 517 CD1 TRP A 32 -11.492 -3.024 -1.765 1.00 0.00 C ATOM 518 CD2 TRP A 32 -13.628 -3.539 -1.328 1.00 0.00 C ATOM 519 NE1 TRP A 32 -11.575 -4.388 -1.619 1.00 0.00 N ATOM 520 CE2 TRP A 32 -12.874 -4.729 -1.349 1.00 0.00 C ATOM 521 CE3 TRP A 32 -14.999 -3.616 -1.070 1.00 0.00 C ATOM 522 CZ2 TRP A 32 -13.447 -5.978 -1.124 1.00 0.00 C ATOM 523 CZ3 TRP A 32 -15.567 -4.856 -0.847 1.00 0.00 C ATOM 524 CH2 TRP A 32 -14.792 -6.023 -0.874 1.00 0.00 C ATOM 0 H TRP A 32 -10.700 0.028 -1.610 1.00 0.00 H new ATOM 0 HA TRP A 32 -12.515 -0.859 -3.748 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -12.788 -0.521 -0.739 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -14.145 -0.896 -1.782 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -10.586 -2.478 -1.981 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -10.795 -5.041 -1.699 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -15.604 -2.722 -1.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -12.852 -6.879 -1.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -16.626 -4.927 -0.649 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -15.265 -6.977 -0.694 1.00 0.00 H new ATOM 535 N SER A 33 -14.204 1.120 -3.591 1.00 0.00 N ATOM 536 CA SER A 33 -14.905 2.374 -3.840 1.00 0.00 C ATOM 537 C SER A 33 -15.269 3.063 -2.528 1.00 0.00 C ATOM 538 O SER A 33 -15.307 4.291 -2.449 1.00 0.00 O ATOM 539 CB SER A 33 -16.169 2.121 -4.663 1.00 0.00 C ATOM 540 OG SER A 33 -17.006 1.167 -4.032 1.00 0.00 O ATOM 0 H SER A 33 -14.716 0.286 -3.878 1.00 0.00 H new ATOM 0 HA SER A 33 -14.239 3.029 -4.402 1.00 0.00 H new ATOM 0 HB2 SER A 33 -16.714 3.056 -4.796 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.895 1.768 -5.657 1.00 0.00 H new ATOM 0 HG SER A 33 -17.808 1.024 -4.577 1.00 0.00 H new ATOM 546 N ASP A 34 -15.534 2.263 -1.501 1.00 0.00 N ATOM 547 CA ASP A 34 -15.893 2.794 -0.191 1.00 0.00 C ATOM 548 C ASP A 34 -14.659 3.307 0.544 1.00 0.00 C ATOM 549 O ASP A 34 -14.770 4.038 1.528 1.00 0.00 O ATOM 550 CB ASP A 34 -16.590 1.720 0.645 1.00 0.00 C ATOM 551 CG ASP A 34 -17.119 2.261 1.959 1.00 0.00 C ATOM 552 OD1 ASP A 34 -17.274 3.495 2.074 1.00 0.00 O ATOM 553 OD2 ASP A 34 -17.378 1.450 2.872 1.00 0.00 O ATOM 0 H ASP A 34 -15.507 1.245 -1.550 1.00 0.00 H new ATOM 0 HA ASP A 34 -16.578 3.629 -0.340 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -17.415 1.296 0.072 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.890 0.909 0.845 1.00 0.00 H new ATOM 558 N GLY A 35 -13.483 2.918 0.061 1.00 0.00 N ATOM 559 CA GLY A 35 -12.246 3.347 0.685 1.00 0.00 C ATOM 560 C GLY A 35 -11.441 2.187 1.236 1.00 0.00 C ATOM 561 O GLY A 35 -10.210 2.202 1.199 1.00 0.00 O ATOM 0 H GLY A 35 -13.365 2.313 -0.752 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.644 3.889 -0.044 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -12.473 4.044 1.492 1.00 0.00 H new ATOM 565 N HIS A 36 -12.137 1.177 1.749 1.00 0.00 N ATOM 566 CA HIS A 36 -11.479 0.003 2.312 1.00 0.00 C ATOM 567 C HIS A 36 -10.385 -0.506 1.378 1.00 0.00 C ATOM 568 O HIS A 36 -10.574 -0.576 0.163 1.00 0.00 O ATOM 569 CB HIS A 36 -12.501 -1.105 2.570 1.00 0.00 C ATOM 570 CG HIS A 36 -13.164 -1.007 3.909 1.00 0.00 C ATOM 571 ND1 HIS A 36 -14.374 -0.375 4.105 1.00 0.00 N ATOM 572 CD2 HIS A 36 -12.781 -1.467 5.123 1.00 0.00 C ATOM 573 CE1 HIS A 36 -14.705 -0.449 5.382 1.00 0.00 C ATOM 574 NE2 HIS A 36 -13.756 -1.107 6.021 1.00 0.00 N ATOM 0 H HIS A 36 -13.156 1.148 1.786 1.00 0.00 H new ATOM 0 HA HIS A 36 -11.020 0.292 3.258 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -13.264 -1.072 1.792 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -12.005 -2.072 2.489 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -11.877 -2.015 5.344 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -15.600 -0.040 5.827 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -13.748 -1.315 7.020 1.00 0.00 H new ATOM 583 N LEU A 37 -9.241 -0.858 1.953 1.00 0.00 N ATOM 584 CA LEU A 37 -8.115 -1.360 1.172 1.00 0.00 C ATOM 585 C LEU A 37 -7.784 -2.799 1.556 1.00 0.00 C ATOM 586 O LEU A 37 -7.638 -3.119 2.736 1.00 0.00 O ATOM 587 CB LEU A 37 -6.888 -0.470 1.379 1.00 0.00 C ATOM 588 CG LEU A 37 -5.576 -0.988 0.790 1.00 0.00 C ATOM 589 CD1 LEU A 37 -5.635 -0.986 -0.729 1.00 0.00 C ATOM 590 CD2 LEU A 37 -4.404 -0.151 1.281 1.00 0.00 C ATOM 0 H LEU A 37 -9.068 -0.805 2.957 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.397 -1.340 0.119 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.096 0.508 0.946 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.749 -0.321 2.450 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.430 -2.015 1.126 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.692 -1.358 -1.130 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.450 -1.629 -1.062 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.805 0.030 -1.085 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.478 -0.534 0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.544 0.886 0.975 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.349 -0.204 2.368 1.00 0.00 H new ATOM 602 N ILE A 38 -7.664 -3.661 0.552 1.00 0.00 N ATOM 603 CA ILE A 38 -7.347 -5.064 0.785 1.00 0.00 C ATOM 604 C ILE A 38 -6.255 -5.546 -0.164 1.00 0.00 C ATOM 605 O ILE A 38 -6.165 -5.092 -1.305 1.00 0.00 O ATOM 606 CB ILE A 38 -8.590 -5.958 0.615 1.00 0.00 C ATOM 607 CG1 ILE A 38 -9.755 -5.412 1.443 1.00 0.00 C ATOM 608 CG2 ILE A 38 -8.272 -7.390 1.019 1.00 0.00 C ATOM 609 CD1 ILE A 38 -11.101 -5.967 1.032 1.00 0.00 C ATOM 0 H ILE A 38 -7.782 -3.412 -0.430 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.992 -5.141 1.813 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.881 -5.953 -0.435 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -9.582 -5.642 2.494 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.776 -4.326 1.353 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.160 -8.009 0.893 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.469 -7.775 0.391 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.959 -7.413 2.063 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -11.880 -5.536 1.661 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -11.296 -5.714 -0.010 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -11.099 -7.051 1.148 1.00 0.00 H new ATOM 621 N TYR A 39 -5.428 -6.469 0.315 1.00 0.00 N ATOM 622 CA TYR A 39 -4.341 -7.012 -0.490 1.00 0.00 C ATOM 623 C TYR A 39 -4.253 -8.527 -0.336 1.00 0.00 C ATOM 624 O TYR A 39 -4.708 -9.088 0.661 1.00 0.00 O ATOM 625 CB TYR A 39 -3.011 -6.369 -0.090 1.00 0.00 C ATOM 626 CG TYR A 39 -2.958 -5.940 1.358 1.00 0.00 C ATOM 627 CD1 TYR A 39 -3.687 -4.845 1.806 1.00 0.00 C ATOM 628 CD2 TYR A 39 -2.179 -6.629 2.279 1.00 0.00 C ATOM 629 CE1 TYR A 39 -3.641 -4.449 3.129 1.00 0.00 C ATOM 630 CE2 TYR A 39 -2.127 -6.241 3.604 1.00 0.00 C ATOM 631 CZ TYR A 39 -2.860 -5.150 4.024 1.00 0.00 C ATOM 632 OH TYR A 39 -2.812 -4.759 5.342 1.00 0.00 O ATOM 0 H TYR A 39 -5.490 -6.856 1.257 1.00 0.00 H new ATOM 0 HA TYR A 39 -4.548 -6.783 -1.535 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.203 -7.076 -0.281 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.831 -5.501 -0.724 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.300 -4.294 1.108 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.604 -7.483 1.953 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -4.213 -3.595 3.460 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.516 -6.788 4.307 1.00 0.00 H new ATOM 0 HH TYR A 39 -3.664 -4.343 5.591 1.00 0.00 H new ATOM 642 N TYR A 40 -3.663 -9.183 -1.329 1.00 0.00 N ATOM 643 CA TYR A 40 -3.516 -10.634 -1.306 1.00 0.00 C ATOM 644 C TYR A 40 -2.045 -11.033 -1.357 1.00 0.00 C ATOM 645 O TYR A 40 -1.183 -10.226 -1.705 1.00 0.00 O ATOM 646 CB TYR A 40 -4.268 -11.262 -2.480 1.00 0.00 C ATOM 647 CG TYR A 40 -5.748 -10.952 -2.488 1.00 0.00 C ATOM 648 CD1 TYR A 40 -6.231 -9.785 -3.067 1.00 0.00 C ATOM 649 CD2 TYR A 40 -6.664 -11.827 -1.915 1.00 0.00 C ATOM 650 CE1 TYR A 40 -7.582 -9.498 -3.076 1.00 0.00 C ATOM 651 CE2 TYR A 40 -8.017 -11.548 -1.920 1.00 0.00 C ATOM 652 CZ TYR A 40 -8.471 -10.382 -2.501 1.00 0.00 C ATOM 653 OH TYR A 40 -9.818 -10.100 -2.508 1.00 0.00 O ATOM 0 H TYR A 40 -3.279 -8.733 -2.160 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.941 -11.002 -0.372 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.827 -10.910 -3.413 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.132 -12.343 -2.451 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.538 -9.090 -3.518 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -6.312 -12.740 -1.458 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -7.940 -8.586 -3.531 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -8.716 -12.239 -1.472 1.00 0.00 H new ATOM 0 HH TYR A 40 -10.306 -10.825 -2.064 1.00 0.00 H new ATOM 663 N ASP A 41 -1.766 -12.284 -1.010 1.00 0.00 N ATOM 664 CA ASP A 41 -0.399 -12.794 -1.017 1.00 0.00 C ATOM 665 C ASP A 41 0.139 -12.885 -2.442 1.00 0.00 C ATOM 666 O ASP A 41 1.339 -12.741 -2.673 1.00 0.00 O ATOM 667 CB ASP A 41 -0.341 -14.167 -0.348 1.00 0.00 C ATOM 668 CG ASP A 41 0.937 -14.916 -0.674 1.00 0.00 C ATOM 669 OD1 ASP A 41 2.029 -14.368 -0.416 1.00 0.00 O ATOM 670 OD2 ASP A 41 0.844 -16.051 -1.187 1.00 0.00 O ATOM 0 H ASP A 41 -2.468 -12.965 -0.720 1.00 0.00 H new ATOM 0 HA ASP A 41 0.225 -12.099 -0.456 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.422 -14.045 0.732 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.198 -14.760 -0.667 1.00 0.00 H new ATOM 675 N ASP A 42 -0.757 -13.125 -3.393 1.00 0.00 N ATOM 676 CA ASP A 42 -0.373 -13.236 -4.795 1.00 0.00 C ATOM 677 C ASP A 42 -1.547 -12.899 -5.709 1.00 0.00 C ATOM 678 O ASP A 42 -2.637 -12.572 -5.239 1.00 0.00 O ATOM 679 CB ASP A 42 0.136 -14.646 -5.097 1.00 0.00 C ATOM 680 CG ASP A 42 -0.572 -15.705 -4.275 1.00 0.00 C ATOM 681 OD1 ASP A 42 -1.674 -15.419 -3.761 1.00 0.00 O ATOM 682 OD2 ASP A 42 -0.024 -16.820 -4.144 1.00 0.00 O ATOM 0 H ASP A 42 -1.755 -13.246 -3.218 1.00 0.00 H new ATOM 0 HA ASP A 42 0.428 -12.521 -4.984 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -0.002 -14.860 -6.157 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.207 -14.693 -4.900 1.00 0.00 H new ATOM 687 N GLN A 43 -1.316 -12.979 -7.015 1.00 0.00 N ATOM 688 CA GLN A 43 -2.355 -12.681 -7.994 1.00 0.00 C ATOM 689 C GLN A 43 -3.516 -13.663 -7.872 1.00 0.00 C ATOM 690 O GLN A 43 -4.640 -13.365 -8.276 1.00 0.00 O ATOM 691 CB GLN A 43 -1.779 -12.726 -9.410 1.00 0.00 C ATOM 692 CG GLN A 43 -2.840 -12.779 -10.497 1.00 0.00 C ATOM 693 CD GLN A 43 -3.280 -14.194 -10.815 1.00 0.00 C ATOM 694 OE1 GLN A 43 -2.453 -15.078 -11.042 1.00 0.00 O ATOM 695 NE2 GLN A 43 -4.589 -14.418 -10.832 1.00 0.00 N ATOM 0 H GLN A 43 -0.419 -13.248 -7.420 1.00 0.00 H new ATOM 0 HA GLN A 43 -2.730 -11.677 -7.794 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -1.154 -11.847 -9.567 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.132 -13.598 -9.503 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -3.705 -12.195 -10.183 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -2.451 -12.312 -11.402 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -5.239 -13.656 -10.638 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -4.944 -15.352 -11.039 1.00 0.00 H new ATOM 704 N THR A 44 -3.236 -14.836 -7.314 1.00 0.00 N ATOM 705 CA THR A 44 -4.256 -15.863 -7.141 1.00 0.00 C ATOM 706 C THR A 44 -5.349 -15.396 -6.186 1.00 0.00 C ATOM 707 O THR A 44 -6.461 -15.924 -6.196 1.00 0.00 O ATOM 708 CB THR A 44 -3.648 -17.174 -6.606 1.00 0.00 C ATOM 709 OG1 THR A 44 -3.026 -16.944 -5.337 1.00 0.00 O ATOM 710 CG2 THR A 44 -2.626 -17.734 -7.583 1.00 0.00 C ATOM 0 H THR A 44 -2.311 -15.099 -6.974 1.00 0.00 H new ATOM 0 HA THR A 44 -4.690 -16.047 -8.124 1.00 0.00 H new ATOM 0 HB THR A 44 -4.452 -17.900 -6.489 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.923 -15.980 -5.193 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.210 -18.659 -7.184 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.109 -17.936 -8.539 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.825 -17.009 -7.727 1.00 0.00 H new ATOM 718 N ARG A 45 -5.026 -14.404 -5.363 1.00 0.00 N ATOM 719 CA ARG A 45 -5.981 -13.867 -4.401 1.00 0.00 C ATOM 720 C ARG A 45 -6.675 -14.992 -3.639 1.00 0.00 C ATOM 721 O ARG A 45 -7.849 -14.882 -3.285 1.00 0.00 O ATOM 722 CB ARG A 45 -7.022 -13.001 -5.114 1.00 0.00 C ATOM 723 CG ARG A 45 -6.426 -11.804 -5.835 1.00 0.00 C ATOM 724 CD ARG A 45 -7.461 -11.107 -6.706 1.00 0.00 C ATOM 725 NE ARG A 45 -6.841 -10.253 -7.715 1.00 0.00 N ATOM 726 CZ ARG A 45 -7.529 -9.562 -8.617 1.00 0.00 C ATOM 727 NH1 ARG A 45 -8.854 -9.623 -8.634 1.00 0.00 N ATOM 728 NH2 ARG A 45 -6.893 -8.807 -9.503 1.00 0.00 N ATOM 0 H ARG A 45 -4.110 -13.956 -5.343 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.434 -13.252 -3.687 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.563 -13.616 -5.834 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -7.751 -12.649 -4.384 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.029 -11.099 -5.105 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -5.589 -12.129 -6.452 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.084 -11.854 -7.197 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.119 -10.507 -6.077 1.00 0.00 H new ATOM 0 HE ARG A 45 -5.823 -10.183 -7.728 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.347 -10.201 -7.953 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.380 -9.091 -9.328 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -5.874 -8.757 -9.492 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -7.423 -8.277 -10.195 1.00 0.00 H new ATOM 742 N GLN A 46 -5.942 -16.072 -3.389 1.00 0.00 N ATOM 743 CA GLN A 46 -6.488 -17.216 -2.670 1.00 0.00 C ATOM 744 C GLN A 46 -6.335 -17.035 -1.163 1.00 0.00 C ATOM 745 O GLN A 46 -7.069 -17.636 -0.379 1.00 0.00 O ATOM 746 CB GLN A 46 -5.792 -18.504 -3.114 1.00 0.00 C ATOM 747 CG GLN A 46 -6.336 -19.072 -4.415 1.00 0.00 C ATOM 748 CD GLN A 46 -6.085 -20.561 -4.551 1.00 0.00 C ATOM 749 OE1 GLN A 46 -5.819 -21.251 -3.566 1.00 0.00 O ATOM 750 NE2 GLN A 46 -6.169 -21.066 -5.777 1.00 0.00 N ATOM 0 H GLN A 46 -4.968 -16.178 -3.674 1.00 0.00 H new ATOM 0 HA GLN A 46 -7.550 -17.287 -2.903 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.726 -18.310 -3.230 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -5.896 -19.253 -2.329 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -7.408 -18.881 -4.470 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -5.876 -18.551 -5.255 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -6.392 -20.458 -6.565 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -6.011 -22.062 -5.930 1.00 0.00 H new ATOM 759 N SER A 47 -5.377 -16.204 -0.766 1.00 0.00 N ATOM 760 CA SER A 47 -5.125 -15.948 0.647 1.00 0.00 C ATOM 761 C SER A 47 -5.067 -14.449 0.925 1.00 0.00 C ATOM 762 O SER A 47 -4.091 -13.780 0.582 1.00 0.00 O ATOM 763 CB SER A 47 -3.816 -16.610 1.082 1.00 0.00 C ATOM 764 OG SER A 47 -4.042 -17.929 1.547 1.00 0.00 O ATOM 0 H SER A 47 -4.763 -15.697 -1.403 1.00 0.00 H new ATOM 0 HA SER A 47 -5.948 -16.375 1.221 1.00 0.00 H new ATOM 0 HB2 SER A 47 -3.119 -16.631 0.244 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.350 -16.018 1.870 1.00 0.00 H new ATOM 0 HG SER A 47 -3.190 -18.331 1.817 1.00 0.00 H new ATOM 770 N ILE A 48 -6.118 -13.928 1.548 1.00 0.00 N ATOM 771 CA ILE A 48 -6.187 -12.508 1.873 1.00 0.00 C ATOM 772 C ILE A 48 -5.132 -12.130 2.908 1.00 0.00 C ATOM 773 O ILE A 48 -5.271 -12.439 4.091 1.00 0.00 O ATOM 774 CB ILE A 48 -7.578 -12.120 2.409 1.00 0.00 C ATOM 775 CG1 ILE A 48 -8.644 -12.350 1.336 1.00 0.00 C ATOM 776 CG2 ILE A 48 -7.583 -10.669 2.866 1.00 0.00 C ATOM 777 CD1 ILE A 48 -10.059 -12.274 1.864 1.00 0.00 C ATOM 0 H ILE A 48 -6.934 -14.467 1.838 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.998 -11.963 0.948 1.00 0.00 H new ATOM 0 HB ILE A 48 -7.810 -12.752 3.266 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -8.519 -11.609 0.547 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -8.486 -13.328 0.882 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -8.573 -10.409 3.242 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.847 -10.535 3.659 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -7.333 -10.022 2.025 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -10.761 -12.447 1.049 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -10.202 -13.033 2.633 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -10.235 -11.287 2.292 1.00 0.00 H new ATOM 789 N GLU A 49 -4.080 -11.457 2.453 1.00 0.00 N ATOM 790 CA GLU A 49 -3.002 -11.035 3.340 1.00 0.00 C ATOM 791 C GLU A 49 -3.555 -10.291 4.552 1.00 0.00 C ATOM 792 O GLU A 49 -3.331 -10.691 5.695 1.00 0.00 O ATOM 793 CB GLU A 49 -2.012 -10.143 2.588 1.00 0.00 C ATOM 794 CG GLU A 49 -0.878 -10.911 1.931 1.00 0.00 C ATOM 795 CD GLU A 49 -0.080 -11.735 2.922 1.00 0.00 C ATOM 796 OE1 GLU A 49 -0.489 -12.879 3.210 1.00 0.00 O ATOM 797 OE2 GLU A 49 0.956 -11.235 3.410 1.00 0.00 O ATOM 0 H GLU A 49 -3.951 -11.192 1.476 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.483 -11.928 3.689 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.550 -9.582 1.824 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.592 -9.415 3.282 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.286 -11.568 1.163 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.212 -10.209 1.429 1.00 0.00 H new ATOM 804 N ASP A 50 -4.278 -9.207 4.294 1.00 0.00 N ATOM 805 CA ASP A 50 -4.863 -8.406 5.363 1.00 0.00 C ATOM 806 C ASP A 50 -5.823 -7.364 4.798 1.00 0.00 C ATOM 807 O ASP A 50 -5.871 -7.139 3.588 1.00 0.00 O ATOM 808 CB ASP A 50 -3.765 -7.719 6.175 1.00 0.00 C ATOM 809 CG ASP A 50 -4.290 -7.111 7.461 1.00 0.00 C ATOM 810 OD1 ASP A 50 -4.400 -7.847 8.464 1.00 0.00 O ATOM 811 OD2 ASP A 50 -4.589 -5.899 7.465 1.00 0.00 O ATOM 0 H ASP A 50 -4.473 -8.863 3.354 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.424 -9.073 6.018 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.985 -8.443 6.411 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.304 -6.939 5.570 1.00 0.00 H new ATOM 816 N LYS A 51 -6.588 -6.731 5.681 1.00 0.00 N ATOM 817 CA LYS A 51 -7.548 -5.712 5.271 1.00 0.00 C ATOM 818 C LYS A 51 -7.480 -4.499 6.194 1.00 0.00 C ATOM 819 O LYS A 51 -7.470 -4.636 7.417 1.00 0.00 O ATOM 820 CB LYS A 51 -8.966 -6.288 5.272 1.00 0.00 C ATOM 821 CG LYS A 51 -10.052 -5.229 5.342 1.00 0.00 C ATOM 822 CD LYS A 51 -11.375 -5.751 4.808 1.00 0.00 C ATOM 823 CE LYS A 51 -11.958 -6.824 5.715 1.00 0.00 C ATOM 824 NZ LYS A 51 -12.754 -6.237 6.828 1.00 0.00 N ATOM 0 H LYS A 51 -6.562 -6.906 6.686 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.293 -5.393 4.260 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.108 -6.883 4.370 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.074 -6.964 6.120 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.178 -4.904 6.375 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.746 -4.355 4.768 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.082 -4.927 4.717 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.229 -6.158 3.808 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.590 -7.491 5.129 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.151 -7.430 6.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.134 -7.000 7.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.145 -5.620 7.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.540 -5.680 6.436 1.00 0.00 H new ATOM 838 N VAL A 52 -7.434 -3.311 5.599 1.00 0.00 N ATOM 839 CA VAL A 52 -7.370 -2.074 6.367 1.00 0.00 C ATOM 840 C VAL A 52 -8.048 -0.929 5.622 1.00 0.00 C ATOM 841 O VAL A 52 -8.079 -0.907 4.392 1.00 0.00 O ATOM 842 CB VAL A 52 -5.913 -1.679 6.675 1.00 0.00 C ATOM 843 CG1 VAL A 52 -5.833 -0.222 7.104 1.00 0.00 C ATOM 844 CG2 VAL A 52 -5.330 -2.591 7.744 1.00 0.00 C ATOM 0 H VAL A 52 -7.440 -3.180 4.588 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.896 -2.256 7.304 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.323 -1.797 5.766 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.796 0.038 7.317 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.209 0.414 6.303 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.436 -0.073 8.000 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.300 -2.298 7.950 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.921 -2.506 8.656 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.351 -3.623 7.393 1.00 0.00 H new ATOM 854 N HIS A 53 -8.590 0.022 6.377 1.00 0.00 N ATOM 855 CA HIS A 53 -9.267 1.172 5.789 1.00 0.00 C ATOM 856 C HIS A 53 -8.312 2.354 5.653 1.00 0.00 C ATOM 857 O HIS A 53 -7.218 2.348 6.217 1.00 0.00 O ATOM 858 CB HIS A 53 -10.473 1.571 6.639 1.00 0.00 C ATOM 859 CG HIS A 53 -11.626 2.091 5.838 1.00 0.00 C ATOM 860 ND1 HIS A 53 -12.847 2.407 6.394 1.00 0.00 N ATOM 861 CD2 HIS A 53 -11.738 2.352 4.514 1.00 0.00 C ATOM 862 CE1 HIS A 53 -13.661 2.839 5.447 1.00 0.00 C ATOM 863 NE2 HIS A 53 -13.012 2.815 4.297 1.00 0.00 N ATOM 0 H HIS A 53 -8.573 0.019 7.397 1.00 0.00 H new ATOM 0 HA HIS A 53 -9.611 0.889 4.794 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.803 0.707 7.215 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.166 2.333 7.355 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -10.968 2.220 3.768 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -14.683 3.158 5.589 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -13.395 3.095 3.394 1.00 0.00 H new ATOM 872 N MET A 54 -8.733 3.366 4.901 1.00 0.00 N ATOM 873 CA MET A 54 -7.915 4.555 4.692 1.00 0.00 C ATOM 874 C MET A 54 -8.424 5.720 5.536 1.00 0.00 C ATOM 875 O MET A 54 -7.788 6.142 6.502 1.00 0.00 O ATOM 876 CB MET A 54 -7.912 4.944 3.213 1.00 0.00 C ATOM 877 CG MET A 54 -6.726 4.388 2.441 1.00 0.00 C ATOM 878 SD MET A 54 -5.144 4.955 3.095 1.00 0.00 S ATOM 879 CE MET A 54 -5.382 6.730 3.066 1.00 0.00 C ATOM 0 H MET A 54 -9.636 3.386 4.426 1.00 0.00 H new ATOM 0 HA MET A 54 -6.896 4.324 5.001 1.00 0.00 H new ATOM 0 HB2 MET A 54 -8.834 4.591 2.751 1.00 0.00 H new ATOM 0 HB3 MET A 54 -7.911 6.031 3.132 1.00 0.00 H new ATOM 0 HG2 MET A 54 -6.757 3.299 2.470 1.00 0.00 H new ATOM 0 HG3 MET A 54 -6.809 4.682 1.395 1.00 0.00 H new ATOM 0 HE1 MET A 54 -4.422 7.228 3.201 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.812 7.024 2.109 1.00 0.00 H new ATOM 0 HE3 MET A 54 -6.057 7.020 3.871 1.00 0.00 H new ATOM 889 N PRO A 55 -9.597 6.253 5.164 1.00 0.00 N ATOM 890 CA PRO A 55 -10.217 7.376 5.873 1.00 0.00 C ATOM 891 C PRO A 55 -10.723 6.980 7.256 1.00 0.00 C ATOM 892 O PRO A 55 -11.313 7.792 7.968 1.00 0.00 O ATOM 893 CB PRO A 55 -11.386 7.766 4.966 1.00 0.00 C ATOM 894 CG PRO A 55 -11.714 6.523 4.214 1.00 0.00 C ATOM 895 CD PRO A 55 -10.409 5.800 4.022 1.00 0.00 C ATOM 0 HA PRO A 55 -9.510 8.186 6.051 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.240 8.113 5.548 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.110 8.576 4.291 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -12.424 5.908 4.767 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -12.175 6.757 3.255 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.544 4.718 4.029 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.943 6.057 3.071 1.00 0.00 H new ATOM 903 N VAL A 56 -10.489 5.726 7.630 1.00 0.00 N ATOM 904 CA VAL A 56 -10.920 5.222 8.929 1.00 0.00 C ATOM 905 C VAL A 56 -9.735 4.719 9.744 1.00 0.00 C ATOM 906 O VAL A 56 -9.570 5.082 10.909 1.00 0.00 O ATOM 907 CB VAL A 56 -11.946 4.084 8.776 1.00 0.00 C ATOM 908 CG1 VAL A 56 -12.015 3.253 10.049 1.00 0.00 C ATOM 909 CG2 VAL A 56 -13.315 4.644 8.421 1.00 0.00 C ATOM 0 H VAL A 56 -10.003 5.040 7.052 1.00 0.00 H new ATOM 0 HA VAL A 56 -11.389 6.055 9.453 1.00 0.00 H new ATOM 0 HB VAL A 56 -11.623 3.434 7.963 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -12.745 2.454 9.923 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -11.036 2.821 10.255 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -12.314 3.889 10.883 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -14.027 3.825 8.317 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -13.649 5.317 9.211 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -13.251 5.191 7.481 1.00 0.00 H new ATOM 919 N ASP A 57 -8.912 3.880 9.125 1.00 0.00 N ATOM 920 CA ASP A 57 -7.739 3.326 9.792 1.00 0.00 C ATOM 921 C ASP A 57 -6.524 4.225 9.590 1.00 0.00 C ATOM 922 O ASP A 57 -5.891 4.658 10.554 1.00 0.00 O ATOM 923 CB ASP A 57 -7.443 1.921 9.267 1.00 0.00 C ATOM 924 CG ASP A 57 -8.114 0.841 10.093 1.00 0.00 C ATOM 925 OD1 ASP A 57 -9.120 1.148 10.765 1.00 0.00 O ATOM 926 OD2 ASP A 57 -7.631 -0.311 10.069 1.00 0.00 O ATOM 0 H ASP A 57 -9.035 3.568 8.162 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.952 3.268 10.859 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.779 1.845 8.233 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.366 1.756 9.265 1.00 0.00 H new ATOM 931 N CYS A 58 -6.202 4.501 8.331 1.00 0.00 N ATOM 932 CA CYS A 58 -5.060 5.348 8.002 1.00 0.00 C ATOM 933 C CYS A 58 -5.296 6.782 8.463 1.00 0.00 C ATOM 934 O CYS A 58 -6.221 7.450 7.999 1.00 0.00 O ATOM 935 CB CYS A 58 -4.796 5.320 6.495 1.00 0.00 C ATOM 936 SG CYS A 58 -3.503 6.461 5.952 1.00 0.00 S ATOM 0 H CYS A 58 -6.715 4.151 7.522 1.00 0.00 H new ATOM 0 HA CYS A 58 -4.186 4.958 8.524 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -4.518 4.307 6.204 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -5.721 5.559 5.970 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.613 6.587 6.891 1.00 0.00 H new ATOM 942 N ILE A 59 -4.455 7.249 9.379 1.00 0.00 N ATOM 943 CA ILE A 59 -4.572 8.604 9.903 1.00 0.00 C ATOM 944 C ILE A 59 -3.542 9.531 9.266 1.00 0.00 C ATOM 945 O ILE A 59 -3.762 10.736 9.155 1.00 0.00 O ATOM 946 CB ILE A 59 -4.395 8.633 11.433 1.00 0.00 C ATOM 947 CG1 ILE A 59 -3.096 7.931 11.832 1.00 0.00 C ATOM 948 CG2 ILE A 59 -5.588 7.981 12.116 1.00 0.00 C ATOM 949 CD1 ILE A 59 -2.582 8.339 13.194 1.00 0.00 C ATOM 0 H ILE A 59 -3.685 6.709 9.774 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.574 8.953 9.654 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.338 9.672 11.758 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.257 6.853 11.822 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.332 8.146 11.085 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.449 8.009 13.197 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.498 8.521 11.853 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.674 6.945 11.788 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.659 7.802 13.410 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.388 9.412 13.204 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.328 8.098 13.951 1.00 0.00 H new ATOM 961 N ASN A 60 -2.418 8.959 8.848 1.00 0.00 N ATOM 962 CA ASN A 60 -1.354 9.734 8.220 1.00 0.00 C ATOM 963 C ASN A 60 -0.763 8.983 7.031 1.00 0.00 C ATOM 964 O ASN A 60 -0.893 7.763 6.928 1.00 0.00 O ATOM 965 CB ASN A 60 -0.254 10.047 9.237 1.00 0.00 C ATOM 966 CG ASN A 60 0.470 11.342 8.925 1.00 0.00 C ATOM 967 OD1 ASN A 60 -0.138 12.412 8.882 1.00 0.00 O ATOM 968 ND2 ASN A 60 1.777 11.251 8.705 1.00 0.00 N ATOM 0 H ASN A 60 -2.220 7.962 8.933 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.784 10.669 7.860 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.691 10.109 10.233 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.464 9.227 9.255 1.00 0.00 H new ATOM 0 HD21 ASN A 60 2.318 12.089 8.490 1.00 0.00 H new ATOM 0 HD22 ASN A 60 2.240 10.343 8.751 1.00 0.00 H new ATOM 975 N ILE A 61 -0.113 9.720 6.136 1.00 0.00 N ATOM 976 CA ILE A 61 0.499 9.123 4.955 1.00 0.00 C ATOM 977 C ILE A 61 1.914 9.652 4.743 1.00 0.00 C ATOM 978 O ILE A 61 2.111 10.838 4.482 1.00 0.00 O ATOM 979 CB ILE A 61 -0.334 9.397 3.690 1.00 0.00 C ATOM 980 CG1 ILE A 61 -1.714 8.746 3.810 1.00 0.00 C ATOM 981 CG2 ILE A 61 0.393 8.886 2.455 1.00 0.00 C ATOM 982 CD1 ILE A 61 -2.685 9.185 2.736 1.00 0.00 C ATOM 0 H ILE A 61 0.003 10.731 6.206 1.00 0.00 H new ATOM 0 HA ILE A 61 0.537 8.048 5.129 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.469 10.474 3.588 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.601 7.663 3.765 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.135 8.983 4.787 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.209 9.087 1.569 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.354 9.392 2.363 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.556 7.812 2.547 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.642 8.684 2.884 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.828 10.264 2.794 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.286 8.924 1.756 1.00 0.00 H new ATOM 994 N ARG A 62 2.895 8.762 4.856 1.00 0.00 N ATOM 995 CA ARG A 62 4.292 9.138 4.676 1.00 0.00 C ATOM 996 C ARG A 62 4.804 8.689 3.311 1.00 0.00 C ATOM 997 O ARG A 62 4.827 7.496 3.006 1.00 0.00 O ATOM 998 CB ARG A 62 5.153 8.528 5.783 1.00 0.00 C ATOM 999 CG ARG A 62 4.602 8.758 7.180 1.00 0.00 C ATOM 1000 CD ARG A 62 5.693 8.647 8.234 1.00 0.00 C ATOM 1001 NE ARG A 62 5.835 7.281 8.732 1.00 0.00 N ATOM 1002 CZ ARG A 62 6.542 6.962 9.810 1.00 0.00 C ATOM 1003 NH1 ARG A 62 7.167 7.906 10.501 1.00 0.00 N ATOM 1004 NH2 ARG A 62 6.624 5.696 10.200 1.00 0.00 N ATOM 0 H ARG A 62 2.748 7.776 5.071 1.00 0.00 H new ATOM 0 HA ARG A 62 4.360 10.225 4.730 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.246 7.456 5.610 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.157 8.948 5.724 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.142 9.745 7.233 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.818 8.030 7.388 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.641 8.979 7.811 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.464 9.314 9.065 1.00 0.00 H new ATOM 0 HE ARG A 62 5.366 6.531 8.224 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.105 8.880 10.205 1.00 0.00 H new ATOM 0 HH12 ARG A 62 7.709 7.658 11.329 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.144 4.967 9.672 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.167 5.452 11.028 1.00 0.00 H new ATOM 1018 N THR A 63 5.215 9.652 2.492 1.00 0.00 N ATOM 1019 CA THR A 63 5.726 9.356 1.159 1.00 0.00 C ATOM 1020 C THR A 63 6.844 10.317 0.772 1.00 0.00 C ATOM 1021 O THR A 63 6.707 11.532 0.912 1.00 0.00 O ATOM 1022 CB THR A 63 4.610 9.431 0.100 1.00 0.00 C ATOM 1023 OG1 THR A 63 3.815 10.604 0.309 1.00 0.00 O ATOM 1024 CG2 THR A 63 3.725 8.195 0.158 1.00 0.00 C ATOM 0 H THR A 63 5.204 10.644 2.729 1.00 0.00 H new ATOM 0 HA THR A 63 6.119 8.340 1.190 1.00 0.00 H new ATOM 0 HB THR A 63 5.076 9.479 -0.884 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.399 11.359 0.531 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.944 8.271 -0.599 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.328 7.307 -0.030 1.00 0.00 H new ATOM 0 HG23 THR A 63 3.268 8.121 1.145 1.00 0.00 H new ATOM 1032 N GLY A 64 7.951 9.766 0.284 1.00 0.00 N ATOM 1033 CA GLY A 64 9.076 10.590 -0.116 1.00 0.00 C ATOM 1034 C GLY A 64 9.819 11.172 1.070 1.00 0.00 C ATOM 1035 O GLY A 64 9.430 12.210 1.607 1.00 0.00 O ATOM 0 H GLY A 64 8.089 8.763 0.159 1.00 0.00 H new ATOM 0 HA2 GLY A 64 9.764 9.994 -0.715 1.00 0.00 H new ATOM 0 HA3 GLY A 64 8.721 11.401 -0.752 1.00 0.00 H new ATOM 1039 N HIS A 65 10.890 10.502 1.483 1.00 0.00 N ATOM 1040 CA HIS A 65 11.689 10.959 2.615 1.00 0.00 C ATOM 1041 C HIS A 65 10.796 11.326 3.797 1.00 0.00 C ATOM 1042 O HIS A 65 11.167 12.147 4.635 1.00 0.00 O ATOM 1043 CB HIS A 65 12.541 12.162 2.212 1.00 0.00 C ATOM 1044 CG HIS A 65 13.500 11.871 1.099 1.00 0.00 C ATOM 1045 ND1 HIS A 65 14.865 11.800 1.281 1.00 0.00 N ATOM 1046 CD2 HIS A 65 13.284 11.630 -0.216 1.00 0.00 C ATOM 1047 CE1 HIS A 65 15.448 11.530 0.126 1.00 0.00 C ATOM 1048 NE2 HIS A 65 14.510 11.421 -0.798 1.00 0.00 N ATOM 0 H HIS A 65 11.225 9.641 1.051 1.00 0.00 H new ATOM 0 HA HIS A 65 12.346 10.143 2.918 1.00 0.00 H new ATOM 0 HB2 HIS A 65 11.884 12.978 1.910 1.00 0.00 H new ATOM 0 HB3 HIS A 65 13.100 12.508 3.081 1.00 0.00 H new ATOM 0 HD2 HIS A 65 12.326 11.607 -0.714 1.00 0.00 H new ATOM 0 HE1 HIS A 65 16.510 11.418 -0.035 1.00 0.00 H new ATOM 0 HE2 HIS A 65 14.671 11.215 -1.784 1.00 0.00 H new ATOM 1057 N GLU A 66 9.618 10.712 3.856 1.00 0.00 N ATOM 1058 CA GLU A 66 8.673 10.977 4.934 1.00 0.00 C ATOM 1059 C GLU A 66 8.590 9.789 5.888 1.00 0.00 C ATOM 1060 O GLU A 66 8.490 9.962 7.104 1.00 0.00 O ATOM 1061 CB GLU A 66 7.287 11.285 4.363 1.00 0.00 C ATOM 1062 CG GLU A 66 7.192 12.647 3.697 1.00 0.00 C ATOM 1063 CD GLU A 66 5.779 13.197 3.693 1.00 0.00 C ATOM 1064 OE1 GLU A 66 5.251 13.486 4.788 1.00 0.00 O ATOM 1065 OE2 GLU A 66 5.201 13.338 2.596 1.00 0.00 O ATOM 0 H GLU A 66 9.296 10.029 3.171 1.00 0.00 H new ATOM 0 HA GLU A 66 9.029 11.844 5.491 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.023 10.516 3.637 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.552 11.231 5.166 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.849 13.347 4.214 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.551 12.571 2.671 1.00 0.00 H new ATOM 1072 N CYS A 67 8.632 8.585 5.329 1.00 0.00 N ATOM 1073 CA CYS A 67 8.560 7.367 6.130 1.00 0.00 C ATOM 1074 C CYS A 67 9.628 7.369 7.219 1.00 0.00 C ATOM 1075 O CYS A 67 10.411 8.312 7.333 1.00 0.00 O ATOM 1076 CB CYS A 67 8.725 6.136 5.238 1.00 0.00 C ATOM 1077 SG CYS A 67 7.855 6.247 3.657 1.00 0.00 S ATOM 0 H CYS A 67 8.715 8.425 4.325 1.00 0.00 H new ATOM 0 HA CYS A 67 7.581 7.332 6.608 1.00 0.00 H new ATOM 0 HB2 CYS A 67 9.786 5.980 5.046 1.00 0.00 H new ATOM 0 HB3 CYS A 67 8.366 5.259 5.777 1.00 0.00 H new ATOM 0 HG CYS A 67 6.693 6.801 3.839 1.00 0.00 H new ATOM 1083 N ARG A 68 9.653 6.307 8.017 1.00 0.00 N ATOM 1084 CA ARG A 68 10.622 6.187 9.099 1.00 0.00 C ATOM 1085 C ARG A 68 10.715 4.745 9.589 1.00 0.00 C ATOM 1086 O ARG A 68 9.764 3.974 9.462 1.00 0.00 O ATOM 1087 CB ARG A 68 10.240 7.108 10.260 1.00 0.00 C ATOM 1088 CG ARG A 68 11.296 7.183 11.351 1.00 0.00 C ATOM 1089 CD ARG A 68 10.692 7.604 12.681 1.00 0.00 C ATOM 1090 NE ARG A 68 11.706 8.091 13.613 1.00 0.00 N ATOM 1091 CZ ARG A 68 12.233 9.309 13.554 1.00 0.00 C ATOM 1092 NH1 ARG A 68 11.844 10.159 12.614 1.00 0.00 N ATOM 1093 NH2 ARG A 68 13.151 9.679 14.438 1.00 0.00 N ATOM 0 H ARG A 68 9.013 5.517 7.934 1.00 0.00 H new ATOM 0 HA ARG A 68 11.597 6.485 8.714 1.00 0.00 H new ATOM 0 HB2 ARG A 68 10.058 8.110 9.873 1.00 0.00 H new ATOM 0 HB3 ARG A 68 9.304 6.760 10.696 1.00 0.00 H new ATOM 0 HG2 ARG A 68 11.778 6.211 11.460 1.00 0.00 H new ATOM 0 HG3 ARG A 68 12.071 7.893 11.061 1.00 0.00 H new ATOM 0 HD2 ARG A 68 9.951 8.385 12.511 1.00 0.00 H new ATOM 0 HD3 ARG A 68 10.168 6.758 13.125 1.00 0.00 H new ATOM 0 HE ARG A 68 12.027 7.462 14.349 1.00 0.00 H new ATOM 0 HH11 ARG A 68 11.138 9.879 11.933 1.00 0.00 H new ATOM 0 HH12 ARG A 68 12.251 11.093 12.571 1.00 0.00 H new ATOM 0 HH21 ARG A 68 13.452 9.028 15.163 1.00 0.00 H new ATOM 0 HH22 ARG A 68 13.555 10.614 14.392 1.00 0.00 H new ATOM 1107 N ASP A 69 11.866 4.388 10.148 1.00 0.00 N ATOM 1108 CA ASP A 69 12.083 3.039 10.658 1.00 0.00 C ATOM 1109 C ASP A 69 12.032 2.017 9.527 1.00 0.00 C ATOM 1110 O ASP A 69 11.734 0.843 9.752 1.00 0.00 O ATOM 1111 CB ASP A 69 11.036 2.698 11.719 1.00 0.00 C ATOM 1112 CG ASP A 69 11.484 3.073 13.118 1.00 0.00 C ATOM 1113 OD1 ASP A 69 12.245 2.292 13.726 1.00 0.00 O ATOM 1114 OD2 ASP A 69 11.075 4.149 13.604 1.00 0.00 O ATOM 0 H ASP A 69 12.663 5.014 10.260 1.00 0.00 H new ATOM 0 HA ASP A 69 13.073 3.003 11.112 1.00 0.00 H new ATOM 0 HB2 ASP A 69 10.106 3.217 11.487 1.00 0.00 H new ATOM 0 HB3 ASP A 69 10.822 1.630 11.684 1.00 0.00 H new ATOM 1119 N ILE A 70 12.323 2.470 8.313 1.00 0.00 N ATOM 1120 CA ILE A 70 12.310 1.594 7.148 1.00 0.00 C ATOM 1121 C ILE A 70 13.470 1.910 6.210 1.00 0.00 C ATOM 1122 O ILE A 70 14.260 2.817 6.469 1.00 0.00 O ATOM 1123 CB ILE A 70 10.987 1.714 6.368 1.00 0.00 C ATOM 1124 CG1 ILE A 70 10.934 3.043 5.612 1.00 0.00 C ATOM 1125 CG2 ILE A 70 9.802 1.589 7.313 1.00 0.00 C ATOM 1126 CD1 ILE A 70 9.836 3.104 4.573 1.00 0.00 C ATOM 0 H ILE A 70 12.571 3.438 8.110 1.00 0.00 H new ATOM 0 HA ILE A 70 12.413 0.574 7.519 1.00 0.00 H new ATOM 0 HB ILE A 70 10.935 0.902 5.642 1.00 0.00 H new ATOM 0 HG12 ILE A 70 10.792 3.853 6.327 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.894 3.213 5.125 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.875 1.676 6.747 1.00 0.00 H new ATOM 0 HG22 ILE A 70 9.834 0.620 7.811 1.00 0.00 H new ATOM 0 HG23 ILE A 70 9.847 2.382 8.060 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.858 4.074 4.077 1.00 0.00 H new ATOM 0 HD12 ILE A 70 9.989 2.316 3.836 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.869 2.966 5.057 1.00 0.00 H new ATOM 1138 N GLN A 71 13.564 1.156 5.119 1.00 0.00 N ATOM 1139 CA GLN A 71 14.627 1.357 4.142 1.00 0.00 C ATOM 1140 C GLN A 71 14.202 0.860 2.764 1.00 0.00 C ATOM 1141 O GLN A 71 13.603 -0.206 2.619 1.00 0.00 O ATOM 1142 CB GLN A 71 15.900 0.634 4.586 1.00 0.00 C ATOM 1143 CG GLN A 71 16.288 0.917 6.029 1.00 0.00 C ATOM 1144 CD GLN A 71 17.625 0.308 6.404 1.00 0.00 C ATOM 1145 OE1 GLN A 71 18.680 0.824 6.037 1.00 0.00 O ATOM 1146 NE2 GLN A 71 17.587 -0.797 7.139 1.00 0.00 N ATOM 0 H GLN A 71 12.917 0.401 4.890 1.00 0.00 H new ATOM 0 HA GLN A 71 14.828 2.426 4.077 1.00 0.00 H new ATOM 0 HB2 GLN A 71 15.761 -0.440 4.460 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.722 0.928 3.933 1.00 0.00 H new ATOM 0 HG2 GLN A 71 16.327 1.995 6.186 1.00 0.00 H new ATOM 0 HG3 GLN A 71 15.516 0.526 6.692 1.00 0.00 H new ATOM 0 HE21 GLN A 71 16.690 -1.191 7.421 1.00 0.00 H new ATOM 0 HE22 GLN A 71 18.455 -1.252 7.421 1.00 0.00 H new ATOM 1155 N PRO A 72 14.516 1.650 1.727 1.00 0.00 N ATOM 1156 CA PRO A 72 14.176 1.311 0.342 1.00 0.00 C ATOM 1157 C PRO A 72 14.988 0.132 -0.183 1.00 0.00 C ATOM 1158 O PRO A 72 16.153 -0.055 0.168 1.00 0.00 O ATOM 1159 CB PRO A 72 14.522 2.586 -0.431 1.00 0.00 C ATOM 1160 CG PRO A 72 15.563 3.259 0.396 1.00 0.00 C ATOM 1161 CD PRO A 72 15.229 2.935 1.826 1.00 0.00 C ATOM 0 HA PRO A 72 13.135 1.005 0.242 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.897 2.355 -1.428 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.646 3.222 -0.559 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.559 2.900 0.137 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.558 4.336 0.229 1.00 0.00 H new ATOM 0 HD2 PRO A 72 16.126 2.850 2.439 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.606 3.707 2.278 1.00 0.00 H new ATOM 1169 N PRO A 73 14.361 -0.683 -1.044 1.00 0.00 N ATOM 1170 CA PRO A 73 15.008 -1.858 -1.636 1.00 0.00 C ATOM 1171 C PRO A 73 16.096 -1.478 -2.635 1.00 0.00 C ATOM 1172 O PRO A 73 16.366 -0.297 -2.854 1.00 0.00 O ATOM 1173 CB PRO A 73 13.858 -2.577 -2.346 1.00 0.00 C ATOM 1174 CG PRO A 73 12.864 -1.505 -2.638 1.00 0.00 C ATOM 1175 CD PRO A 73 12.972 -0.521 -1.506 1.00 0.00 C ATOM 0 HA PRO A 73 15.511 -2.468 -0.885 1.00 0.00 H new ATOM 0 HB2 PRO A 73 14.199 -3.061 -3.261 1.00 0.00 H new ATOM 0 HB3 PRO A 73 13.428 -3.355 -1.715 1.00 0.00 H new ATOM 0 HG2 PRO A 73 13.076 -1.026 -3.594 1.00 0.00 H new ATOM 0 HG3 PRO A 73 11.856 -1.915 -2.704 1.00 0.00 H new ATOM 0 HD2 PRO A 73 12.776 0.498 -1.839 1.00 0.00 H new ATOM 0 HD3 PRO A 73 12.257 -0.740 -0.713 1.00 0.00 H new ATOM 1183 N ASP A 74 16.716 -2.486 -3.239 1.00 0.00 N ATOM 1184 CA ASP A 74 17.774 -2.258 -4.217 1.00 0.00 C ATOM 1185 C ASP A 74 17.186 -1.936 -5.587 1.00 0.00 C ATOM 1186 O ASP A 74 16.367 -2.687 -6.115 1.00 0.00 O ATOM 1187 CB ASP A 74 18.682 -3.484 -4.312 1.00 0.00 C ATOM 1188 CG ASP A 74 20.099 -3.125 -4.714 1.00 0.00 C ATOM 1189 OD1 ASP A 74 20.841 -2.591 -3.862 1.00 0.00 O ATOM 1190 OD2 ASP A 74 20.468 -3.378 -5.880 1.00 0.00 O ATOM 0 H ASP A 74 16.504 -3.469 -3.069 1.00 0.00 H new ATOM 0 HA ASP A 74 18.365 -1.404 -3.886 1.00 0.00 H new ATOM 0 HB2 ASP A 74 18.699 -3.995 -3.350 1.00 0.00 H new ATOM 0 HB3 ASP A 74 18.268 -4.184 -5.038 1.00 0.00 H new ATOM 1195 N GLY A 75 17.611 -0.813 -6.159 1.00 0.00 N ATOM 1196 CA GLY A 75 17.115 -0.410 -7.462 1.00 0.00 C ATOM 1197 C GLY A 75 15.903 0.495 -7.368 1.00 0.00 C ATOM 1198 O GLY A 75 15.245 0.770 -8.371 1.00 0.00 O ATOM 0 H GLY A 75 18.290 -0.175 -5.743 1.00 0.00 H new ATOM 0 HA2 GLY A 75 17.907 0.105 -8.005 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.857 -1.298 -8.039 1.00 0.00 H new ATOM 1202 N LYS A 76 15.606 0.958 -6.159 1.00 0.00 N ATOM 1203 CA LYS A 76 14.464 1.838 -5.935 1.00 0.00 C ATOM 1204 C LYS A 76 14.843 3.000 -5.024 1.00 0.00 C ATOM 1205 O LYS A 76 15.454 2.821 -3.970 1.00 0.00 O ATOM 1206 CB LYS A 76 13.302 1.053 -5.323 1.00 0.00 C ATOM 1207 CG LYS A 76 12.945 -0.207 -6.093 1.00 0.00 C ATOM 1208 CD LYS A 76 12.120 0.110 -7.329 1.00 0.00 C ATOM 1209 CE LYS A 76 11.760 -1.152 -8.097 1.00 0.00 C ATOM 1210 NZ LYS A 76 12.812 -1.519 -9.085 1.00 0.00 N ATOM 0 H LYS A 76 16.140 0.739 -5.318 1.00 0.00 H new ATOM 0 HA LYS A 76 14.154 2.242 -6.899 1.00 0.00 H new ATOM 0 HB2 LYS A 76 13.557 0.782 -4.299 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.425 1.699 -5.273 1.00 0.00 H new ATOM 0 HG2 LYS A 76 13.857 -0.726 -6.387 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.387 -0.884 -5.446 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.209 0.631 -7.036 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.679 0.785 -7.977 1.00 0.00 H new ATOM 0 HE2 LYS A 76 11.617 -1.975 -7.397 1.00 0.00 H new ATOM 0 HE3 LYS A 76 10.812 -1.004 -8.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.426 -1.442 -10.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.623 -0.875 -8.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.123 -2.497 -8.914 1.00 0.00 H new ATOM 1224 N PRO A 77 14.471 4.222 -5.435 1.00 0.00 N ATOM 1225 CA PRO A 77 14.760 5.437 -4.669 1.00 0.00 C ATOM 1226 C PRO A 77 13.948 5.517 -3.380 1.00 0.00 C ATOM 1227 O PRO A 77 13.351 4.530 -2.950 1.00 0.00 O ATOM 1228 CB PRO A 77 14.358 6.563 -5.625 1.00 0.00 C ATOM 1229 CG PRO A 77 13.341 5.951 -6.524 1.00 0.00 C ATOM 1230 CD PRO A 77 13.740 4.510 -6.680 1.00 0.00 C ATOM 0 HA PRO A 77 15.802 5.480 -4.351 1.00 0.00 H new ATOM 0 HB2 PRO A 77 13.946 7.414 -5.083 1.00 0.00 H new ATOM 0 HB3 PRO A 77 15.216 6.929 -6.189 1.00 0.00 H new ATOM 0 HG2 PRO A 77 12.342 6.035 -6.097 1.00 0.00 H new ATOM 0 HG3 PRO A 77 13.319 6.457 -7.489 1.00 0.00 H new ATOM 0 HD2 PRO A 77 12.871 3.862 -6.795 1.00 0.00 H new ATOM 0 HD3 PRO A 77 14.368 4.360 -7.558 1.00 0.00 H new ATOM 1238 N ARG A 78 13.930 6.697 -2.770 1.00 0.00 N ATOM 1239 CA ARG A 78 13.192 6.905 -1.530 1.00 0.00 C ATOM 1240 C ARG A 78 11.876 7.630 -1.796 1.00 0.00 C ATOM 1241 O ARG A 78 11.028 7.743 -0.910 1.00 0.00 O ATOM 1242 CB ARG A 78 14.036 7.705 -0.536 1.00 0.00 C ATOM 1243 CG ARG A 78 13.700 7.418 0.918 1.00 0.00 C ATOM 1244 CD ARG A 78 14.459 8.342 1.858 1.00 0.00 C ATOM 1245 NE ARG A 78 14.123 8.096 3.257 1.00 0.00 N ATOM 1246 CZ ARG A 78 14.809 8.599 4.278 1.00 0.00 C ATOM 1247 NH1 ARG A 78 15.863 9.372 4.055 1.00 0.00 N ATOM 1248 NH2 ARG A 78 14.440 8.330 5.524 1.00 0.00 N ATOM 0 H ARG A 78 14.418 7.524 -3.114 1.00 0.00 H new ATOM 0 HA ARG A 78 12.969 5.928 -1.102 1.00 0.00 H new ATOM 0 HB2 ARG A 78 15.090 7.484 -0.707 1.00 0.00 H new ATOM 0 HB3 ARG A 78 13.898 8.769 -0.729 1.00 0.00 H new ATOM 0 HG2 ARG A 78 12.628 7.538 1.075 1.00 0.00 H new ATOM 0 HG3 ARG A 78 13.943 6.381 1.151 1.00 0.00 H new ATOM 0 HD2 ARG A 78 15.531 8.205 1.713 1.00 0.00 H new ATOM 0 HD3 ARG A 78 14.233 9.379 1.608 1.00 0.00 H new ATOM 0 HE ARG A 78 13.317 7.505 3.462 1.00 0.00 H new ATOM 0 HH11 ARG A 78 16.149 9.582 3.098 1.00 0.00 H new ATOM 0 HH12 ARG A 78 16.388 9.757 4.840 1.00 0.00 H new ATOM 0 HH21 ARG A 78 13.629 7.737 5.699 1.00 0.00 H new ATOM 0 HH22 ARG A 78 14.967 8.717 6.307 1.00 0.00 H new ATOM 1262 N ASP A 79 11.713 8.118 -3.020 1.00 0.00 N ATOM 1263 CA ASP A 79 10.500 8.832 -3.403 1.00 0.00 C ATOM 1264 C ASP A 79 9.371 7.855 -3.719 1.00 0.00 C ATOM 1265 O ASP A 79 8.193 8.197 -3.608 1.00 0.00 O ATOM 1266 CB ASP A 79 10.770 9.726 -4.614 1.00 0.00 C ATOM 1267 CG ASP A 79 11.786 9.123 -5.564 1.00 0.00 C ATOM 1268 OD1 ASP A 79 11.407 8.227 -6.347 1.00 0.00 O ATOM 1269 OD2 ASP A 79 12.960 9.547 -5.525 1.00 0.00 O ATOM 0 H ASP A 79 12.405 8.033 -3.764 1.00 0.00 H new ATOM 0 HA ASP A 79 10.194 9.454 -2.562 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.836 9.901 -5.148 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.128 10.697 -4.272 1.00 0.00 H new ATOM 1274 N CYS A 80 9.739 6.641 -4.112 1.00 0.00 N ATOM 1275 CA CYS A 80 8.757 5.615 -4.446 1.00 0.00 C ATOM 1276 C CYS A 80 8.295 4.878 -3.193 1.00 0.00 C ATOM 1277 O CYS A 80 7.632 3.844 -3.278 1.00 0.00 O ATOM 1278 CB CYS A 80 9.347 4.622 -5.448 1.00 0.00 C ATOM 1279 SG CYS A 80 10.659 3.580 -4.769 1.00 0.00 S ATOM 0 H CYS A 80 10.710 6.343 -4.207 1.00 0.00 H new ATOM 0 HA CYS A 80 7.894 6.105 -4.897 1.00 0.00 H new ATOM 0 HB2 CYS A 80 8.548 3.983 -5.823 1.00 0.00 H new ATOM 0 HB3 CYS A 80 9.741 5.174 -6.301 1.00 0.00 H new ATOM 0 HG CYS A 80 10.131 2.599 -4.098 1.00 0.00 H new ATOM 1285 N LEU A 81 8.650 5.416 -2.031 1.00 0.00 N ATOM 1286 CA LEU A 81 8.273 4.809 -0.760 1.00 0.00 C ATOM 1287 C LEU A 81 6.873 5.246 -0.341 1.00 0.00 C ATOM 1288 O LEU A 81 6.555 6.436 -0.346 1.00 0.00 O ATOM 1289 CB LEU A 81 9.283 5.183 0.326 1.00 0.00 C ATOM 1290 CG LEU A 81 10.625 4.454 0.275 1.00 0.00 C ATOM 1291 CD1 LEU A 81 11.339 4.554 1.614 1.00 0.00 C ATOM 1292 CD2 LEU A 81 10.426 2.997 -0.117 1.00 0.00 C ATOM 0 H LEU A 81 9.198 6.272 -1.943 1.00 0.00 H new ATOM 0 HA LEU A 81 8.272 3.727 -0.889 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.472 6.255 0.264 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.827 4.995 1.298 1.00 0.00 H new ATOM 0 HG LEU A 81 11.247 4.932 -0.482 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.293 4.029 1.558 1.00 0.00 H new ATOM 0 HD12 LEU A 81 11.516 5.602 1.855 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.721 4.103 2.390 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.392 2.493 -0.148 1.00 0.00 H new ATOM 0 HD22 LEU A 81 9.785 2.507 0.616 1.00 0.00 H new ATOM 0 HD23 LEU A 81 9.958 2.945 -1.100 1.00 0.00 H new ATOM 1304 N LEU A 82 6.040 4.277 0.022 1.00 0.00 N ATOM 1305 CA LEU A 82 4.673 4.562 0.446 1.00 0.00 C ATOM 1306 C LEU A 82 4.367 3.893 1.782 1.00 0.00 C ATOM 1307 O LEU A 82 4.403 2.668 1.895 1.00 0.00 O ATOM 1308 CB LEU A 82 3.679 4.087 -0.615 1.00 0.00 C ATOM 1309 CG LEU A 82 2.232 4.544 -0.431 1.00 0.00 C ATOM 1310 CD1 LEU A 82 2.003 5.882 -1.115 1.00 0.00 C ATOM 1311 CD2 LEU A 82 1.269 3.496 -0.971 1.00 0.00 C ATOM 0 H LEU A 82 6.287 3.287 0.031 1.00 0.00 H new ATOM 0 HA LEU A 82 4.575 5.640 0.570 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.026 4.431 -1.589 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.695 2.997 -0.637 1.00 0.00 H new ATOM 0 HG LEU A 82 2.044 4.668 0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.967 6.191 -0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.667 6.630 -0.682 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.210 5.786 -2.181 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.243 3.838 -0.832 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.459 3.341 -2.033 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.414 2.558 -0.435 1.00 0.00 H new ATOM 1323 N GLN A 83 4.064 4.705 2.790 1.00 0.00 N ATOM 1324 CA GLN A 83 3.750 4.190 4.117 1.00 0.00 C ATOM 1325 C GLN A 83 2.352 4.619 4.550 1.00 0.00 C ATOM 1326 O GLN A 83 1.838 5.642 4.098 1.00 0.00 O ATOM 1327 CB GLN A 83 4.784 4.678 5.134 1.00 0.00 C ATOM 1328 CG GLN A 83 5.005 3.712 6.287 1.00 0.00 C ATOM 1329 CD GLN A 83 6.206 4.081 7.135 1.00 0.00 C ATOM 1330 OE1 GLN A 83 6.469 5.259 7.380 1.00 0.00 O ATOM 1331 NE2 GLN A 83 6.943 3.074 7.588 1.00 0.00 N ATOM 0 H GLN A 83 4.029 5.721 2.713 1.00 0.00 H new ATOM 0 HA GLN A 83 3.779 3.101 4.073 1.00 0.00 H new ATOM 0 HB2 GLN A 83 5.733 4.845 4.624 1.00 0.00 H new ATOM 0 HB3 GLN A 83 4.463 5.640 5.533 1.00 0.00 H new ATOM 0 HG2 GLN A 83 4.114 3.692 6.915 1.00 0.00 H new ATOM 0 HG3 GLN A 83 5.140 2.705 5.892 1.00 0.00 H new ATOM 0 HE21 GLN A 83 6.688 2.113 7.360 1.00 0.00 H new ATOM 0 HE22 GLN A 83 7.764 3.261 8.164 1.00 0.00 H new ATOM 1340 N ILE A 84 1.742 3.830 5.429 1.00 0.00 N ATOM 1341 CA ILE A 84 0.404 4.129 5.923 1.00 0.00 C ATOM 1342 C ILE A 84 0.308 3.892 7.427 1.00 0.00 C ATOM 1343 O ILE A 84 0.322 2.751 7.888 1.00 0.00 O ATOM 1344 CB ILE A 84 -0.663 3.277 5.211 1.00 0.00 C ATOM 1345 CG1 ILE A 84 -0.438 3.299 3.698 1.00 0.00 C ATOM 1346 CG2 ILE A 84 -2.057 3.780 5.553 1.00 0.00 C ATOM 1347 CD1 ILE A 84 -0.735 4.640 3.063 1.00 0.00 C ATOM 0 H ILE A 84 2.153 2.979 5.813 1.00 0.00 H new ATOM 0 HA ILE A 84 0.217 5.182 5.710 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.575 2.247 5.557 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.597 3.028 3.489 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.067 2.539 3.234 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.800 3.168 5.042 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.213 3.717 6.630 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.159 4.817 5.232 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.554 4.582 1.990 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.777 4.904 3.241 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.088 5.401 3.500 1.00 0.00 H new ATOM 1359 N VAL A 85 0.208 4.979 8.186 1.00 0.00 N ATOM 1360 CA VAL A 85 0.106 4.890 9.638 1.00 0.00 C ATOM 1361 C VAL A 85 -1.351 4.893 10.088 1.00 0.00 C ATOM 1362 O VAL A 85 -2.144 5.727 9.650 1.00 0.00 O ATOM 1363 CB VAL A 85 0.847 6.052 10.325 1.00 0.00 C ATOM 1364 CG1 VAL A 85 0.954 5.807 11.822 1.00 0.00 C ATOM 1365 CG2 VAL A 85 2.224 6.245 9.708 1.00 0.00 C ATOM 0 H VAL A 85 0.195 5.931 7.820 1.00 0.00 H new ATOM 0 HA VAL A 85 0.571 3.949 9.931 1.00 0.00 H new ATOM 0 HB VAL A 85 0.274 6.966 10.171 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.481 6.639 12.290 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.045 5.724 12.249 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.503 4.883 12.001 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.733 7.070 10.206 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.808 5.333 9.829 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.119 6.471 8.647 1.00 0.00 H new ATOM 1375 N CYS A 86 -1.695 3.956 10.964 1.00 0.00 N ATOM 1376 CA CYS A 86 -3.058 3.851 11.474 1.00 0.00 C ATOM 1377 C CYS A 86 -3.234 4.693 12.734 1.00 0.00 C ATOM 1378 O CYS A 86 -2.310 5.382 13.166 1.00 0.00 O ATOM 1379 CB CYS A 86 -3.402 2.390 11.770 1.00 0.00 C ATOM 1380 SG CYS A 86 -2.946 1.847 13.434 1.00 0.00 S ATOM 0 H CYS A 86 -1.050 3.259 11.336 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.736 4.229 10.709 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -4.474 2.245 11.633 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -2.899 1.755 11.041 1.00 0.00 H new ATOM 0 HG CYS A 86 -3.278 0.600 13.590 1.00 0.00 H new ATOM 1386 N ARG A 87 -4.426 4.632 13.317 1.00 0.00 N ATOM 1387 CA ARG A 87 -4.725 5.392 14.526 1.00 0.00 C ATOM 1388 C ARG A 87 -3.773 5.011 15.656 1.00 0.00 C ATOM 1389 O ARG A 87 -2.904 5.794 16.039 1.00 0.00 O ATOM 1390 CB ARG A 87 -6.172 5.152 14.960 1.00 0.00 C ATOM 1391 CG ARG A 87 -7.199 5.603 13.935 1.00 0.00 C ATOM 1392 CD ARG A 87 -8.576 5.034 14.237 1.00 0.00 C ATOM 1393 NE ARG A 87 -9.124 5.561 15.484 1.00 0.00 N ATOM 1394 CZ ARG A 87 -10.103 4.974 16.163 1.00 0.00 C ATOM 1395 NH1 ARG A 87 -10.639 3.846 15.718 1.00 0.00 N ATOM 1396 NH2 ARG A 87 -10.548 5.515 17.290 1.00 0.00 N ATOM 0 H ARG A 87 -5.201 4.065 12.973 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.591 6.450 14.303 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.311 4.089 15.158 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.353 5.677 15.898 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.249 6.692 13.923 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.884 5.288 12.940 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -9.253 5.268 13.416 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.514 3.948 14.299 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.733 6.428 15.854 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -10.300 3.427 14.852 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -11.391 3.397 16.241 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -10.138 6.383 17.636 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -11.300 5.063 17.810 1.00 0.00 H new ATOM 1410 N ASP A 88 -3.944 3.804 16.185 1.00 0.00 N ATOM 1411 CA ASP A 88 -3.100 3.319 17.271 1.00 0.00 C ATOM 1412 C ASP A 88 -1.634 3.643 17.006 1.00 0.00 C ATOM 1413 O ASP A 88 -1.030 4.456 17.706 1.00 0.00 O ATOM 1414 CB ASP A 88 -3.278 1.810 17.448 1.00 0.00 C ATOM 1415 CG ASP A 88 -2.623 1.295 18.714 1.00 0.00 C ATOM 1416 OD1 ASP A 88 -1.393 1.078 18.700 1.00 0.00 O ATOM 1417 OD2 ASP A 88 -3.339 1.109 19.720 1.00 0.00 O ATOM 0 H ASP A 88 -4.659 3.144 15.879 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.404 3.823 18.188 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -4.342 1.573 17.470 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -2.854 1.293 16.587 1.00 0.00 H new ATOM 1422 N GLY A 89 -1.065 3.000 15.990 1.00 0.00 N ATOM 1423 CA GLY A 89 0.327 3.233 15.651 1.00 0.00 C ATOM 1424 C GLY A 89 0.789 2.384 14.484 1.00 0.00 C ATOM 1425 O GLY A 89 1.714 2.757 13.762 1.00 0.00 O ATOM 0 H GLY A 89 -1.543 2.322 15.396 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.467 4.286 15.408 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.950 3.021 16.520 1.00 0.00 H new ATOM 1429 N LYS A 90 0.146 1.236 14.298 1.00 0.00 N ATOM 1430 CA LYS A 90 0.495 0.330 13.210 1.00 0.00 C ATOM 1431 C LYS A 90 0.954 1.107 11.981 1.00 0.00 C ATOM 1432 O LYS A 90 0.416 2.170 11.669 1.00 0.00 O ATOM 1433 CB LYS A 90 -0.701 -0.554 12.851 1.00 0.00 C ATOM 1434 CG LYS A 90 -0.338 -1.745 11.981 1.00 0.00 C ATOM 1435 CD LYS A 90 -1.563 -2.332 11.300 1.00 0.00 C ATOM 1436 CE LYS A 90 -1.202 -2.993 9.978 1.00 0.00 C ATOM 1437 NZ LYS A 90 -0.780 -4.409 10.163 1.00 0.00 N ATOM 0 H LYS A 90 -0.620 0.911 14.887 1.00 0.00 H new ATOM 0 HA LYS A 90 1.317 -0.302 13.546 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.165 -0.914 13.769 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.446 0.050 12.333 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.387 -1.438 11.227 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.142 -2.510 12.592 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -2.031 -3.064 11.958 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.296 -1.545 11.126 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.060 -2.954 9.307 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.398 -2.434 9.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.542 -4.824 9.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.054 -4.444 10.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.556 -4.949 10.596 1.00 0.00 H new ATOM 1451 N THR A 91 1.950 0.570 11.284 1.00 0.00 N ATOM 1452 CA THR A 91 2.480 1.213 10.088 1.00 0.00 C ATOM 1453 C THR A 91 2.778 0.189 8.999 1.00 0.00 C ATOM 1454 O THR A 91 3.412 -0.836 9.254 1.00 0.00 O ATOM 1455 CB THR A 91 3.765 2.004 10.398 1.00 0.00 C ATOM 1456 OG1 THR A 91 3.527 2.925 11.468 1.00 0.00 O ATOM 1457 CG2 THR A 91 4.245 2.760 9.169 1.00 0.00 C ATOM 0 H THR A 91 2.406 -0.309 11.527 1.00 0.00 H new ATOM 0 HA THR A 91 1.714 1.903 9.734 1.00 0.00 H new ATOM 0 HB THR A 91 4.539 1.296 10.694 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.349 3.423 11.660 1.00 0.00 H new ATOM 0 HG21 THR A 91 5.153 3.311 9.413 1.00 0.00 H new ATOM 0 HG22 THR A 91 4.453 2.053 8.366 1.00 0.00 H new ATOM 0 HG23 THR A 91 3.473 3.458 8.847 1.00 0.00 H new ATOM 1465 N ILE A 92 2.318 0.472 7.785 1.00 0.00 N ATOM 1466 CA ILE A 92 2.537 -0.425 6.657 1.00 0.00 C ATOM 1467 C ILE A 92 3.564 0.151 5.688 1.00 0.00 C ATOM 1468 O ILE A 92 3.347 1.206 5.093 1.00 0.00 O ATOM 1469 CB ILE A 92 1.228 -0.701 5.895 1.00 0.00 C ATOM 1470 CG1 ILE A 92 0.195 -1.339 6.826 1.00 0.00 C ATOM 1471 CG2 ILE A 92 1.492 -1.599 4.695 1.00 0.00 C ATOM 1472 CD1 ILE A 92 -1.187 -1.438 6.219 1.00 0.00 C ATOM 0 H ILE A 92 1.791 1.315 7.557 1.00 0.00 H new ATOM 0 HA ILE A 92 2.913 -1.362 7.068 1.00 0.00 H new ATOM 0 HB ILE A 92 0.829 0.247 5.534 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.534 -2.338 7.102 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.138 -0.757 7.746 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.557 -1.785 4.167 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.197 -1.110 4.023 1.00 0.00 H new ATOM 0 HG23 ILE A 92 1.911 -2.546 5.035 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.867 -1.900 6.935 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.547 -0.440 5.969 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.145 -2.046 5.315 1.00 0.00 H new ATOM 1484 N SER A 93 4.683 -0.550 5.535 1.00 0.00 N ATOM 1485 CA SER A 93 5.745 -0.107 4.639 1.00 0.00 C ATOM 1486 C SER A 93 5.532 -0.654 3.231 1.00 0.00 C ATOM 1487 O SER A 93 5.611 -1.862 3.003 1.00 0.00 O ATOM 1488 CB SER A 93 7.108 -0.554 5.171 1.00 0.00 C ATOM 1489 OG SER A 93 7.128 -0.552 6.588 1.00 0.00 O ATOM 0 H SER A 93 4.878 -1.426 6.019 1.00 0.00 H new ATOM 0 HA SER A 93 5.719 0.982 4.594 1.00 0.00 H new ATOM 0 HB2 SER A 93 7.336 -1.554 4.802 1.00 0.00 H new ATOM 0 HB3 SER A 93 7.885 0.110 4.792 1.00 0.00 H new ATOM 0 HG SER A 93 8.009 -0.843 6.903 1.00 0.00 H new ATOM 1495 N LEU A 94 5.262 0.243 2.289 1.00 0.00 N ATOM 1496 CA LEU A 94 5.037 -0.148 0.902 1.00 0.00 C ATOM 1497 C LEU A 94 6.041 0.529 -0.024 1.00 0.00 C ATOM 1498 O LEU A 94 6.616 1.563 0.317 1.00 0.00 O ATOM 1499 CB LEU A 94 3.611 0.208 0.476 1.00 0.00 C ATOM 1500 CG LEU A 94 2.493 -0.285 1.394 1.00 0.00 C ATOM 1501 CD1 LEU A 94 1.210 0.489 1.137 1.00 0.00 C ATOM 1502 CD2 LEU A 94 2.265 -1.778 1.202 1.00 0.00 C ATOM 0 H LEU A 94 5.194 1.246 2.461 1.00 0.00 H new ATOM 0 HA LEU A 94 5.173 -1.227 0.828 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.537 1.293 0.397 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.440 -0.197 -0.521 1.00 0.00 H new ATOM 0 HG LEU A 94 2.795 -0.113 2.427 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.426 0.124 1.800 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.380 1.549 1.326 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.903 0.350 0.100 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.466 -2.112 1.863 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.985 -1.973 0.167 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.181 -2.319 1.438 1.00 0.00 H new ATOM 1514 N CYS A 95 6.246 -0.059 -1.198 1.00 0.00 N ATOM 1515 CA CYS A 95 7.180 0.489 -2.175 1.00 0.00 C ATOM 1516 C CYS A 95 6.658 0.295 -3.595 1.00 0.00 C ATOM 1517 O CYS A 95 6.219 -0.794 -3.962 1.00 0.00 O ATOM 1518 CB CYS A 95 8.551 -0.173 -2.028 1.00 0.00 C ATOM 1519 SG CYS A 95 9.895 0.725 -2.837 1.00 0.00 S ATOM 0 H CYS A 95 5.778 -0.915 -1.496 1.00 0.00 H new ATOM 0 HA CYS A 95 7.279 1.558 -1.987 1.00 0.00 H new ATOM 0 HB2 CYS A 95 8.782 -0.273 -0.968 1.00 0.00 H new ATOM 0 HB3 CYS A 95 8.502 -1.181 -2.440 1.00 0.00 H new ATOM 0 HG CYS A 95 10.580 -0.095 -3.578 1.00 0.00 H new ATOM 1525 N ALA A 96 6.707 1.360 -4.388 1.00 0.00 N ATOM 1526 CA ALA A 96 6.239 1.307 -5.768 1.00 0.00 C ATOM 1527 C ALA A 96 7.397 1.069 -6.731 1.00 0.00 C ATOM 1528 O ALA A 96 8.555 1.315 -6.397 1.00 0.00 O ATOM 1529 CB ALA A 96 5.507 2.592 -6.127 1.00 0.00 C ATOM 0 H ALA A 96 7.066 2.270 -4.099 1.00 0.00 H new ATOM 0 HA ALA A 96 5.547 0.470 -5.859 1.00 0.00 H new ATOM 0 HB1 ALA A 96 5.163 2.538 -7.160 1.00 0.00 H new ATOM 0 HB2 ALA A 96 4.650 2.720 -5.466 1.00 0.00 H new ATOM 0 HB3 ALA A 96 6.183 3.440 -6.013 1.00 0.00 H new ATOM 1535 N GLU A 97 7.075 0.587 -7.928 1.00 0.00 N ATOM 1536 CA GLU A 97 8.090 0.314 -8.939 1.00 0.00 C ATOM 1537 C GLU A 97 8.858 1.584 -9.296 1.00 0.00 C ATOM 1538 O GLU A 97 10.077 1.558 -9.465 1.00 0.00 O ATOM 1539 CB GLU A 97 7.445 -0.275 -10.195 1.00 0.00 C ATOM 1540 CG GLU A 97 6.831 -1.648 -9.977 1.00 0.00 C ATOM 1541 CD GLU A 97 7.872 -2.747 -9.898 1.00 0.00 C ATOM 1542 OE1 GLU A 97 8.910 -2.631 -10.582 1.00 0.00 O ATOM 1543 OE2 GLU A 97 7.649 -3.723 -9.152 1.00 0.00 O ATOM 0 H GLU A 97 6.121 0.378 -8.221 1.00 0.00 H new ATOM 0 HA GLU A 97 8.792 -0.410 -8.526 1.00 0.00 H new ATOM 0 HB2 GLU A 97 6.673 0.407 -10.550 1.00 0.00 H new ATOM 0 HB3 GLU A 97 8.197 -0.343 -10.981 1.00 0.00 H new ATOM 0 HG2 GLU A 97 6.247 -1.639 -9.056 1.00 0.00 H new ATOM 0 HG3 GLU A 97 6.139 -1.866 -10.791 1.00 0.00 H new ATOM 1550 N SER A 98 8.134 2.693 -9.409 1.00 0.00 N ATOM 1551 CA SER A 98 8.745 3.973 -9.751 1.00 0.00 C ATOM 1552 C SER A 98 7.935 5.132 -9.178 1.00 0.00 C ATOM 1553 O SER A 98 6.744 4.994 -8.897 1.00 0.00 O ATOM 1554 CB SER A 98 8.861 4.118 -11.269 1.00 0.00 C ATOM 1555 OG SER A 98 9.737 5.177 -11.615 1.00 0.00 O ATOM 0 H SER A 98 7.124 2.731 -9.269 1.00 0.00 H new ATOM 0 HA SER A 98 9.743 3.999 -9.314 1.00 0.00 H new ATOM 0 HB2 SER A 98 9.225 3.185 -11.700 1.00 0.00 H new ATOM 0 HB3 SER A 98 7.875 4.303 -11.696 1.00 0.00 H new ATOM 0 HG SER A 98 9.795 5.248 -12.591 1.00 0.00 H new ATOM 1561 N THR A 99 8.590 6.276 -9.008 1.00 0.00 N ATOM 1562 CA THR A 99 7.933 7.460 -8.468 1.00 0.00 C ATOM 1563 C THR A 99 6.495 7.564 -8.963 1.00 0.00 C ATOM 1564 O THR A 99 5.575 7.806 -8.181 1.00 0.00 O ATOM 1565 CB THR A 99 8.690 8.746 -8.849 1.00 0.00 C ATOM 1566 OG1 THR A 99 10.101 8.538 -8.728 1.00 0.00 O ATOM 1567 CG2 THR A 99 8.265 9.907 -7.963 1.00 0.00 C ATOM 0 H THR A 99 9.575 6.408 -9.237 1.00 0.00 H new ATOM 0 HA THR A 99 7.934 7.355 -7.383 1.00 0.00 H new ATOM 0 HB THR A 99 8.447 8.991 -9.883 1.00 0.00 H new ATOM 0 HG1 THR A 99 10.340 8.456 -7.781 1.00 0.00 H new ATOM 0 HG21 THR A 99 8.813 10.804 -8.251 1.00 0.00 H new ATOM 0 HG22 THR A 99 7.196 10.082 -8.080 1.00 0.00 H new ATOM 0 HG23 THR A 99 8.481 9.668 -6.922 1.00 0.00 H new ATOM 1575 N ASP A 100 6.308 7.380 -10.265 1.00 0.00 N ATOM 1576 CA ASP A 100 4.980 7.452 -10.865 1.00 0.00 C ATOM 1577 C ASP A 100 4.002 6.541 -10.130 1.00 0.00 C ATOM 1578 O ASP A 100 2.913 6.966 -9.744 1.00 0.00 O ATOM 1579 CB ASP A 100 5.044 7.066 -12.343 1.00 0.00 C ATOM 1580 CG ASP A 100 6.276 7.617 -13.033 1.00 0.00 C ATOM 1581 OD1 ASP A 100 6.481 8.848 -12.987 1.00 0.00 O ATOM 1582 OD2 ASP A 100 7.035 6.818 -13.621 1.00 0.00 O ATOM 0 H ASP A 100 7.059 7.180 -10.926 1.00 0.00 H new ATOM 0 HA ASP A 100 4.625 8.479 -10.781 1.00 0.00 H new ATOM 0 HB2 ASP A 100 5.037 5.980 -12.432 1.00 0.00 H new ATOM 0 HB3 ASP A 100 4.152 7.434 -12.850 1.00 0.00 H new ATOM 1587 N ASP A 101 4.398 5.287 -9.941 1.00 0.00 N ATOM 1588 CA ASP A 101 3.556 4.315 -9.253 1.00 0.00 C ATOM 1589 C ASP A 101 3.190 4.807 -7.856 1.00 0.00 C ATOM 1590 O ASP A 101 2.044 4.678 -7.423 1.00 0.00 O ATOM 1591 CB ASP A 101 4.269 2.965 -9.161 1.00 0.00 C ATOM 1592 CG ASP A 101 3.983 2.077 -10.357 1.00 0.00 C ATOM 1593 OD1 ASP A 101 2.883 1.488 -10.408 1.00 0.00 O ATOM 1594 OD2 ASP A 101 4.860 1.971 -11.240 1.00 0.00 O ATOM 0 H ASP A 101 5.296 4.920 -10.254 1.00 0.00 H new ATOM 0 HA ASP A 101 2.638 4.194 -9.829 1.00 0.00 H new ATOM 0 HB2 ASP A 101 5.344 3.129 -9.083 1.00 0.00 H new ATOM 0 HB3 ASP A 101 3.958 2.454 -8.250 1.00 0.00 H new ATOM 1599 N CYS A 102 4.169 5.368 -7.156 1.00 0.00 N ATOM 1600 CA CYS A 102 3.951 5.877 -5.807 1.00 0.00 C ATOM 1601 C CYS A 102 2.989 7.060 -5.822 1.00 0.00 C ATOM 1602 O CYS A 102 2.126 7.184 -4.951 1.00 0.00 O ATOM 1603 CB CYS A 102 5.280 6.292 -5.175 1.00 0.00 C ATOM 1604 SG CYS A 102 5.215 6.481 -3.377 1.00 0.00 S ATOM 0 H CYS A 102 5.122 5.482 -7.500 1.00 0.00 H new ATOM 0 HA CYS A 102 3.508 5.079 -5.211 1.00 0.00 H new ATOM 0 HB2 CYS A 102 6.037 5.548 -5.424 1.00 0.00 H new ATOM 0 HB3 CYS A 102 5.602 7.235 -5.617 1.00 0.00 H new ATOM 0 HG CYS A 102 6.259 7.142 -2.972 1.00 0.00 H new ATOM 1610 N LEU A 103 3.143 7.929 -6.814 1.00 0.00 N ATOM 1611 CA LEU A 103 2.289 9.105 -6.942 1.00 0.00 C ATOM 1612 C LEU A 103 0.828 8.701 -7.114 1.00 0.00 C ATOM 1613 O LEU A 103 -0.024 9.054 -6.300 1.00 0.00 O ATOM 1614 CB LEU A 103 2.737 9.959 -8.130 1.00 0.00 C ATOM 1615 CG LEU A 103 3.879 10.939 -7.858 1.00 0.00 C ATOM 1616 CD1 LEU A 103 4.452 11.466 -9.165 1.00 0.00 C ATOM 1617 CD2 LEU A 103 3.398 12.088 -6.984 1.00 0.00 C ATOM 0 H LEU A 103 3.852 7.842 -7.542 1.00 0.00 H new ATOM 0 HA LEU A 103 2.380 9.690 -6.027 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.041 9.292 -8.937 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.878 10.524 -8.490 1.00 0.00 H new ATOM 0 HG LEU A 103 4.669 10.409 -7.326 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.263 12.162 -8.952 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.833 10.634 -9.757 1.00 0.00 H new ATOM 0 HD13 LEU A 103 3.670 11.980 -9.724 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.223 12.776 -6.800 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.591 12.617 -7.490 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.035 11.695 -6.034 1.00 0.00 H new ATOM 1629 N ALA A 104 0.547 7.956 -8.179 1.00 0.00 N ATOM 1630 CA ALA A 104 -0.809 7.500 -8.455 1.00 0.00 C ATOM 1631 C ALA A 104 -1.487 6.991 -7.187 1.00 0.00 C ATOM 1632 O ALA A 104 -2.570 7.451 -6.824 1.00 0.00 O ATOM 1633 CB ALA A 104 -0.794 6.413 -9.520 1.00 0.00 C ATOM 0 H ALA A 104 1.241 7.656 -8.864 1.00 0.00 H new ATOM 0 HA ALA A 104 -1.382 8.350 -8.826 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.814 6.082 -9.716 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.358 6.808 -10.437 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.199 5.569 -9.170 1.00 0.00 H new ATOM 1639 N TRP A 105 -0.843 6.042 -6.519 1.00 0.00 N ATOM 1640 CA TRP A 105 -1.385 5.471 -5.291 1.00 0.00 C ATOM 1641 C TRP A 105 -1.582 6.548 -4.230 1.00 0.00 C ATOM 1642 O TRP A 105 -2.662 6.674 -3.652 1.00 0.00 O ATOM 1643 CB TRP A 105 -0.456 4.378 -4.759 1.00 0.00 C ATOM 1644 CG TRP A 105 -0.735 3.025 -5.342 1.00 0.00 C ATOM 1645 CD1 TRP A 105 0.110 2.272 -6.105 1.00 0.00 C ATOM 1646 CD2 TRP A 105 -1.943 2.268 -5.209 1.00 0.00 C ATOM 1647 NE1 TRP A 105 -0.500 1.091 -6.455 1.00 0.00 N ATOM 1648 CE2 TRP A 105 -1.760 1.064 -5.917 1.00 0.00 C ATOM 1649 CE3 TRP A 105 -3.160 2.488 -4.559 1.00 0.00 C ATOM 1650 CZ2 TRP A 105 -2.749 0.088 -5.993 1.00 0.00 C ATOM 1651 CZ3 TRP A 105 -4.141 1.518 -4.636 1.00 0.00 C ATOM 1652 CH2 TRP A 105 -3.931 0.330 -5.348 1.00 0.00 C ATOM 0 H TRP A 105 0.054 5.651 -6.806 1.00 0.00 H new ATOM 0 HA TRP A 105 -2.356 5.033 -5.522 1.00 0.00 H new ATOM 0 HB2 TRP A 105 0.577 4.652 -4.974 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -0.552 4.325 -3.675 1.00 0.00 H new ATOM 0 HD1 TRP A 105 1.110 2.561 -6.391 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -0.082 0.354 -7.023 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -3.331 3.400 -4.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -2.589 -0.828 -6.542 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -5.086 1.679 -4.139 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -4.717 -0.409 -5.389 1.00 0.00 H new ATOM 1663 N LYS A 106 -0.533 7.323 -3.978 1.00 0.00 N ATOM 1664 CA LYS A 106 -0.591 8.392 -2.988 1.00 0.00 C ATOM 1665 C LYS A 106 -1.817 9.272 -3.208 1.00 0.00 C ATOM 1666 O LYS A 106 -2.674 9.390 -2.331 1.00 0.00 O ATOM 1667 CB LYS A 106 0.679 9.243 -3.051 1.00 0.00 C ATOM 1668 CG LYS A 106 0.546 10.587 -2.355 1.00 0.00 C ATOM 1669 CD LYS A 106 1.867 11.338 -2.336 1.00 0.00 C ATOM 1670 CE LYS A 106 1.737 12.675 -1.622 1.00 0.00 C ATOM 1671 NZ LYS A 106 1.170 13.726 -2.512 1.00 0.00 N ATOM 0 H LYS A 106 0.369 7.231 -4.446 1.00 0.00 H new ATOM 0 HA LYS A 106 -0.666 7.935 -2.001 1.00 0.00 H new ATOM 0 HB2 LYS A 106 1.501 8.688 -2.598 1.00 0.00 H new ATOM 0 HB3 LYS A 106 0.944 9.409 -4.095 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -0.208 11.188 -2.863 1.00 0.00 H new ATOM 0 HG3 LYS A 106 0.198 10.436 -1.333 1.00 0.00 H new ATOM 0 HD2 LYS A 106 2.625 10.731 -1.840 1.00 0.00 H new ATOM 0 HD3 LYS A 106 2.209 11.502 -3.358 1.00 0.00 H new ATOM 0 HE2 LYS A 106 1.099 12.558 -0.746 1.00 0.00 H new ATOM 0 HE3 LYS A 106 2.716 12.992 -1.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 1.097 14.622 -1.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 1.791 13.856 -3.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 0.225 13.435 -2.834 1.00 0.00 H new ATOM 1685 N PHE A 107 -1.895 9.887 -4.383 1.00 0.00 N ATOM 1686 CA PHE A 107 -3.017 10.756 -4.718 1.00 0.00 C ATOM 1687 C PHE A 107 -4.346 10.074 -4.404 1.00 0.00 C ATOM 1688 O PHE A 107 -5.222 10.659 -3.766 1.00 0.00 O ATOM 1689 CB PHE A 107 -2.967 11.142 -6.198 1.00 0.00 C ATOM 1690 CG PHE A 107 -1.788 12.003 -6.553 1.00 0.00 C ATOM 1691 CD1 PHE A 107 -1.506 13.147 -5.825 1.00 0.00 C ATOM 1692 CD2 PHE A 107 -0.963 11.667 -7.614 1.00 0.00 C ATOM 1693 CE1 PHE A 107 -0.422 13.942 -6.150 1.00 0.00 C ATOM 1694 CE2 PHE A 107 0.122 12.458 -7.943 1.00 0.00 C ATOM 1695 CZ PHE A 107 0.393 13.596 -7.209 1.00 0.00 C ATOM 0 H PHE A 107 -1.195 9.800 -5.119 1.00 0.00 H new ATOM 0 HA PHE A 107 -2.939 11.658 -4.111 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -2.939 10.235 -6.801 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.884 11.670 -6.459 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -2.140 13.421 -4.994 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -1.170 10.777 -8.190 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -0.213 14.833 -5.576 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.757 12.186 -8.773 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.241 14.214 -7.463 1.00 0.00 H new ATOM 1705 N THR A 108 -4.489 8.832 -4.858 1.00 0.00 N ATOM 1706 CA THR A 108 -5.710 8.070 -4.627 1.00 0.00 C ATOM 1707 C THR A 108 -6.032 7.984 -3.140 1.00 0.00 C ATOM 1708 O THR A 108 -7.174 8.190 -2.728 1.00 0.00 O ATOM 1709 CB THR A 108 -5.599 6.645 -5.201 1.00 0.00 C ATOM 1710 OG1 THR A 108 -5.117 6.695 -6.548 1.00 0.00 O ATOM 1711 CG2 THR A 108 -6.948 5.941 -5.166 1.00 0.00 C ATOM 0 H THR A 108 -3.774 8.333 -5.388 1.00 0.00 H new ATOM 0 HA THR A 108 -6.514 8.598 -5.139 1.00 0.00 H new ATOM 0 HB THR A 108 -4.897 6.083 -4.585 1.00 0.00 H new ATOM 0 HG1 THR A 108 -4.137 6.696 -6.545 1.00 0.00 H new ATOM 0 HG21 THR A 108 -6.845 4.936 -5.576 1.00 0.00 H new ATOM 0 HG22 THR A 108 -7.299 5.878 -4.136 1.00 0.00 H new ATOM 0 HG23 THR A 108 -7.668 6.504 -5.761 1.00 0.00 H new ATOM 1719 N LEU A 109 -5.018 7.678 -2.337 1.00 0.00 N ATOM 1720 CA LEU A 109 -5.193 7.565 -0.893 1.00 0.00 C ATOM 1721 C LEU A 109 -5.563 8.913 -0.282 1.00 0.00 C ATOM 1722 O LEU A 109 -6.616 9.056 0.337 1.00 0.00 O ATOM 1723 CB LEU A 109 -3.915 7.031 -0.245 1.00 0.00 C ATOM 1724 CG LEU A 109 -3.426 5.671 -0.745 1.00 0.00 C ATOM 1725 CD1 LEU A 109 -1.980 5.440 -0.336 1.00 0.00 C ATOM 1726 CD2 LEU A 109 -4.317 4.557 -0.215 1.00 0.00 C ATOM 0 H LEU A 109 -4.067 7.504 -2.661 1.00 0.00 H new ATOM 0 HA LEU A 109 -6.008 6.866 -0.704 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.120 7.760 -0.401 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.078 6.963 0.831 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.479 5.665 -1.834 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.650 4.467 -0.701 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.352 6.221 -0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.901 5.466 0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.955 3.596 -0.581 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.296 4.562 0.875 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -5.339 4.714 -0.559 1.00 0.00 H new ATOM 1738 N GLN A 110 -4.689 9.898 -0.463 1.00 0.00 N ATOM 1739 CA GLN A 110 -4.924 11.234 0.070 1.00 0.00 C ATOM 1740 C GLN A 110 -6.322 11.726 -0.292 1.00 0.00 C ATOM 1741 O GLN A 110 -6.934 12.491 0.454 1.00 0.00 O ATOM 1742 CB GLN A 110 -3.874 12.211 -0.462 1.00 0.00 C ATOM 1743 CG GLN A 110 -2.457 11.878 -0.025 1.00 0.00 C ATOM 1744 CD GLN A 110 -2.131 12.413 1.356 1.00 0.00 C ATOM 1745 OE1 GLN A 110 -3.019 12.592 2.190 1.00 0.00 O ATOM 1746 NE2 GLN A 110 -0.853 12.673 1.604 1.00 0.00 N ATOM 0 H GLN A 110 -3.812 9.796 -0.974 1.00 0.00 H new ATOM 0 HA GLN A 110 -4.846 11.183 1.156 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -3.917 12.220 -1.551 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -4.122 13.217 -0.125 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -2.323 10.796 -0.032 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -1.752 12.291 -0.746 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -0.150 12.510 0.883 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -0.574 13.036 2.515 1.00 0.00 H new ATOM 1755 N ASP A 111 -6.821 11.282 -1.440 1.00 0.00 N ATOM 1756 CA ASP A 111 -8.147 11.676 -1.900 1.00 0.00 C ATOM 1757 C ASP A 111 -9.230 10.865 -1.196 1.00 0.00 C ATOM 1758 O ASP A 111 -10.251 11.408 -0.773 1.00 0.00 O ATOM 1759 CB ASP A 111 -8.260 11.495 -3.415 1.00 0.00 C ATOM 1760 CG ASP A 111 -9.288 12.421 -4.034 1.00 0.00 C ATOM 1761 OD1 ASP A 111 -9.339 13.603 -3.635 1.00 0.00 O ATOM 1762 OD2 ASP A 111 -10.041 11.964 -4.919 1.00 0.00 O ATOM 0 H ASP A 111 -6.327 10.649 -2.069 1.00 0.00 H new ATOM 0 HA ASP A 111 -8.291 12.729 -1.656 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -7.288 11.678 -3.873 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -8.527 10.461 -3.636 1.00 0.00 H new ATOM 1767 N SER A 112 -9.002 9.561 -1.076 1.00 0.00 N ATOM 1768 CA SER A 112 -9.960 8.673 -0.428 1.00 0.00 C ATOM 1769 C SER A 112 -10.260 9.142 0.992 1.00 0.00 C ATOM 1770 O SER A 112 -11.366 8.953 1.499 1.00 0.00 O ATOM 1771 CB SER A 112 -9.424 7.241 -0.402 1.00 0.00 C ATOM 1772 OG SER A 112 -8.584 7.031 0.720 1.00 0.00 O ATOM 0 H SER A 112 -8.162 9.096 -1.419 1.00 0.00 H new ATOM 0 HA SER A 112 -10.886 8.696 -1.003 1.00 0.00 H new ATOM 0 HB2 SER A 112 -10.257 6.538 -0.373 1.00 0.00 H new ATOM 0 HB3 SER A 112 -8.869 7.040 -1.318 1.00 0.00 H new ATOM 0 HG SER A 112 -7.840 7.668 0.696 1.00 0.00 H new ATOM 1778 N ARG A 113 -9.267 9.754 1.629 1.00 0.00 N ATOM 1779 CA ARG A 113 -9.423 10.249 2.991 1.00 0.00 C ATOM 1780 C ARG A 113 -10.768 10.948 3.165 1.00 0.00 C ATOM 1781 O ARG A 113 -11.467 10.736 4.157 1.00 0.00 O ATOM 1782 CB ARG A 113 -8.287 11.212 3.340 1.00 0.00 C ATOM 1783 CG ARG A 113 -6.914 10.560 3.339 1.00 0.00 C ATOM 1784 CD ARG A 113 -5.871 11.456 3.988 1.00 0.00 C ATOM 1785 NE ARG A 113 -5.571 12.628 3.171 1.00 0.00 N ATOM 1786 CZ ARG A 113 -4.921 13.694 3.626 1.00 0.00 C ATOM 1787 NH1 ARG A 113 -4.504 13.734 4.884 1.00 0.00 N ATOM 1788 NH2 ARG A 113 -4.686 14.722 2.821 1.00 0.00 N ATOM 0 H ARG A 113 -8.346 9.919 1.223 1.00 0.00 H new ATOM 0 HA ARG A 113 -9.387 9.395 3.667 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -8.289 12.036 2.627 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -8.475 11.641 4.324 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -6.961 9.610 3.871 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -6.617 10.337 2.314 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -6.228 11.778 4.966 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -4.957 10.886 4.154 1.00 0.00 H new ATOM 0 HE ARG A 113 -5.877 12.629 2.198 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -4.682 12.945 5.506 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -4.005 14.554 5.230 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -5.004 14.694 1.852 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -4.187 15.540 3.171 1.00 0.00 H new ATOM 1802 N THR A 114 -11.125 11.783 2.194 1.00 0.00 N ATOM 1803 CA THR A 114 -12.384 12.515 2.240 1.00 0.00 C ATOM 1804 C THR A 114 -13.568 11.564 2.378 1.00 0.00 C ATOM 1805 O THR A 114 -14.385 11.703 3.288 1.00 0.00 O ATOM 1806 CB THR A 114 -12.579 13.378 0.979 1.00 0.00 C ATOM 1807 OG1 THR A 114 -12.310 12.601 -0.193 1.00 0.00 O ATOM 1808 CG2 THR A 114 -11.664 14.593 1.009 1.00 0.00 C ATOM 0 H THR A 114 -10.559 11.969 1.366 1.00 0.00 H new ATOM 0 HA THR A 114 -12.339 13.166 3.113 1.00 0.00 H new ATOM 0 HB THR A 114 -13.613 13.722 0.957 1.00 0.00 H new ATOM 0 HG1 THR A 114 -11.344 12.581 -0.358 1.00 0.00 H new ATOM 0 HG21 THR A 114 -11.819 15.188 0.109 1.00 0.00 H new ATOM 0 HG22 THR A 114 -11.891 15.198 1.887 1.00 0.00 H new ATOM 0 HG23 THR A 114 -10.625 14.265 1.053 1.00 0.00 H new ATOM 1816 N SER A 115 -13.654 10.597 1.470 1.00 0.00 N ATOM 1817 CA SER A 115 -14.740 9.624 1.490 1.00 0.00 C ATOM 1818 C SER A 115 -15.064 9.201 2.919 1.00 0.00 C ATOM 1819 O SER A 115 -14.373 8.368 3.504 1.00 0.00 O ATOM 1820 CB SER A 115 -14.369 8.398 0.654 1.00 0.00 C ATOM 1821 OG SER A 115 -15.529 7.723 0.197 1.00 0.00 O ATOM 0 H SER A 115 -12.985 10.466 0.711 1.00 0.00 H new ATOM 0 HA SER A 115 -15.625 10.094 1.060 1.00 0.00 H new ATOM 0 HB2 SER A 115 -13.763 8.705 -0.199 1.00 0.00 H new ATOM 0 HB3 SER A 115 -13.760 7.718 1.250 1.00 0.00 H new ATOM 0 HG SER A 115 -15.266 6.944 -0.336 1.00 0.00 H new ATOM 1827 N GLY A 116 -16.123 9.781 3.476 1.00 0.00 N ATOM 1828 CA GLY A 116 -16.522 9.452 4.832 1.00 0.00 C ATOM 1829 C GLY A 116 -18.021 9.542 5.033 1.00 0.00 C ATOM 1830 O GLY A 116 -18.762 8.591 4.779 1.00 0.00 O ATOM 0 H GLY A 116 -16.712 10.473 3.012 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -16.186 8.443 5.071 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -16.024 10.127 5.528 1.00 0.00 H new ATOM 1834 N PRO A 117 -18.491 10.707 5.502 1.00 0.00 N ATOM 1835 CA PRO A 117 -19.916 10.945 5.749 1.00 0.00 C ATOM 1836 C PRO A 117 -20.722 11.028 4.458 1.00 0.00 C ATOM 1837 O PRO A 117 -21.807 10.455 4.354 1.00 0.00 O ATOM 1838 CB PRO A 117 -19.930 12.292 6.476 1.00 0.00 C ATOM 1839 CG PRO A 117 -18.681 12.974 6.036 1.00 0.00 C ATOM 1840 CD PRO A 117 -17.666 11.883 5.827 1.00 0.00 C ATOM 0 HA PRO A 117 -20.372 10.134 6.317 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -20.813 12.875 6.213 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -19.948 12.158 7.558 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -18.846 13.535 5.116 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -18.340 13.686 6.787 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -16.976 12.126 5.019 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -17.064 11.717 6.721 1.00 0.00 H new ATOM 1848 N SER A 118 -20.185 11.745 3.475 1.00 0.00 N ATOM 1849 CA SER A 118 -20.857 11.905 2.191 1.00 0.00 C ATOM 1850 C SER A 118 -19.931 11.521 1.042 1.00 0.00 C ATOM 1851 O SER A 118 -18.708 11.540 1.182 1.00 0.00 O ATOM 1852 CB SER A 118 -21.332 13.349 2.017 1.00 0.00 C ATOM 1853 OG SER A 118 -22.469 13.612 2.821 1.00 0.00 O ATOM 0 H SER A 118 -19.287 12.224 3.544 1.00 0.00 H new ATOM 0 HA SER A 118 -21.721 11.241 2.176 1.00 0.00 H new ATOM 0 HB2 SER A 118 -20.528 14.034 2.284 1.00 0.00 H new ATOM 0 HB3 SER A 118 -21.573 13.532 0.970 1.00 0.00 H new ATOM 0 HG SER A 118 -22.752 14.541 2.693 1.00 0.00 H new ATOM 1859 N SER A 119 -20.523 11.171 -0.096 1.00 0.00 N ATOM 1860 CA SER A 119 -19.752 10.778 -1.270 1.00 0.00 C ATOM 1861 C SER A 119 -20.324 11.414 -2.533 1.00 0.00 C ATOM 1862 O SER A 119 -21.477 11.181 -2.892 1.00 0.00 O ATOM 1863 CB SER A 119 -19.740 9.255 -1.412 1.00 0.00 C ATOM 1864 OG SER A 119 -18.603 8.819 -2.136 1.00 0.00 O ATOM 0 H SER A 119 -21.534 11.152 -0.230 1.00 0.00 H new ATOM 0 HA SER A 119 -18.729 11.131 -1.138 1.00 0.00 H new ATOM 0 HB2 SER A 119 -19.744 8.795 -0.424 1.00 0.00 H new ATOM 0 HB3 SER A 119 -20.647 8.927 -1.921 1.00 0.00 H new ATOM 0 HG SER A 119 -18.618 7.842 -2.211 1.00 0.00 H new ATOM 1870 N GLY A 120 -19.506 12.220 -3.205 1.00 0.00 N ATOM 1871 CA GLY A 120 -19.948 12.878 -4.421 1.00 0.00 C ATOM 1872 C GLY A 120 -20.105 11.911 -5.578 1.00 0.00 C ATOM 1873 O GLY A 120 -21.219 11.507 -5.911 1.00 0.00 O ATOM 0 H GLY A 120 -18.546 12.428 -2.929 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -20.900 13.376 -4.236 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -19.231 13.652 -4.693 1.00 0.00 H new TER 1877 GLY A 120