USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 718 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 56 THR OG1 : rot -21:sc= 1.15 USER MOD Set 1.2: A 59 ASN : amide:sc= 1.18 K(o=2.3,f=-8.7!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 150:sc= 0.0377 USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 171:sc= -0.0839 (180deg=-0.196) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0.0259 K(o=0.026,f=-1.1) USER MOD Single : A 65 SER OG : rot -30:sc= 1.15 USER MOD Single : A 67 THR OG1 : rot -177:sc= 0.854 USER MOD Single : A 68 ASN : amide:sc= -0.0315 K(o=-0.032,f=-1.1) USER MOD Single : A 69 ASN : amide:sc= -0.0879 K(o=-0.088,f=-1.2!) USER MOD Single : A 71 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00553) USER MOD Single : A 74 THR OG1 : rot 137:sc= 0.16 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HE2:sc= -0.428 X(o=-0.43,f=-0.22) USER MOD Single : A 90 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0286) USER MOD Single : A 91 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 95 ASN : amide:sc= -0.105 K(o=-0.11,f=-1.3!) USER MOD Single : A 96 GLN : amide:sc= -0.0155 X(o=-0.016,f=-0.064) USER MOD Single : A 101 SER OG : rot 180:sc= 0.603 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -0.0316 K(o=-0.032,f=-1.5!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN : amide:sc=-0.00821 K(o=-0.0082,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 29 7.356 -10.081 -17.288 1.00 0.00 N ATOM 2 CA GLY A 29 7.276 -9.270 -16.087 1.00 0.00 C ATOM 3 C GLY A 29 6.003 -8.449 -16.027 1.00 0.00 C ATOM 4 O GLY A 29 5.877 -7.435 -16.714 1.00 0.00 O ATOM 0 HA2 GLY A 29 7.330 -9.917 -15.211 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.137 -8.603 -16.044 1.00 0.00 H new ATOM 10 N SER A 30 5.056 -8.888 -15.205 1.00 0.00 N ATOM 11 CA SER A 30 4.154 -7.970 -14.517 1.00 0.00 C ATOM 12 C SER A 30 4.224 -8.173 -13.006 1.00 0.00 C ATOM 13 O SER A 30 3.351 -7.718 -12.267 1.00 0.00 O ATOM 14 CB SER A 30 2.734 -8.157 -15.013 1.00 0.00 C ATOM 15 OG SER A 30 2.612 -7.868 -16.380 1.00 0.00 O ATOM 0 H SER A 30 4.893 -9.873 -14.999 1.00 0.00 H new ATOM 0 HA SER A 30 4.468 -6.950 -14.737 1.00 0.00 H new ATOM 0 HB2 SER A 30 2.419 -9.184 -14.830 1.00 0.00 H new ATOM 0 HB3 SER A 30 2.064 -7.512 -14.445 1.00 0.00 H new ATOM 0 HG SER A 30 1.683 -8.002 -16.661 1.00 0.00 H new ATOM 21 N GLU A 31 5.269 -8.862 -12.554 1.00 0.00 N ATOM 22 CA GLU A 31 5.340 -9.321 -11.174 1.00 0.00 C ATOM 23 C GLU A 31 6.597 -10.155 -10.943 1.00 0.00 C ATOM 24 O GLU A 31 7.310 -10.496 -11.884 1.00 0.00 O ATOM 25 CB GLU A 31 4.094 -10.132 -10.813 1.00 0.00 C ATOM 26 CG GLU A 31 3.988 -10.499 -9.339 1.00 0.00 C ATOM 27 CD GLU A 31 4.096 -9.281 -8.464 1.00 0.00 C ATOM 28 OE1 GLU A 31 5.170 -8.737 -8.366 1.00 0.00 O ATOM 29 OE2 GLU A 31 3.084 -8.826 -7.984 1.00 0.00 O ATOM 0 H GLU A 31 6.076 -9.113 -13.125 1.00 0.00 H new ATOM 0 HA GLU A 31 5.386 -8.444 -10.528 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.209 -9.562 -11.098 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.087 -11.048 -11.404 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.037 -10.999 -9.154 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.776 -11.206 -9.080 1.00 0.00 H new ATOM 36 N GLU A 32 6.861 -10.477 -9.680 1.00 0.00 N ATOM 37 CA GLU A 32 7.650 -11.656 -9.342 1.00 0.00 C ATOM 38 C GLU A 32 6.988 -12.924 -9.878 1.00 0.00 C ATOM 39 O GLU A 32 5.863 -12.888 -10.373 1.00 0.00 O ATOM 40 CB GLU A 32 7.839 -11.758 -7.827 1.00 0.00 C ATOM 41 CG GLU A 32 8.635 -10.616 -7.213 1.00 0.00 C ATOM 42 CD GLU A 32 10.096 -10.723 -7.557 1.00 0.00 C ATOM 43 OE1 GLU A 32 10.474 -11.695 -8.167 1.00 0.00 O ATOM 44 OE2 GLU A 32 10.814 -9.783 -7.309 1.00 0.00 O ATOM 0 H GLU A 32 6.540 -9.939 -8.875 1.00 0.00 H new ATOM 0 HA GLU A 32 8.629 -11.554 -9.811 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.858 -11.797 -7.353 1.00 0.00 H new ATOM 0 HB3 GLU A 32 8.341 -12.698 -7.599 1.00 0.00 H new ATOM 0 HG2 GLU A 32 8.244 -9.663 -7.570 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.512 -10.625 -6.130 1.00 0.00 H new ATOM 51 N LYS A 33 7.698 -14.042 -9.772 1.00 0.00 N ATOM 52 CA LYS A 33 7.348 -15.243 -10.524 1.00 0.00 C ATOM 53 C LYS A 33 6.361 -16.106 -9.744 1.00 0.00 C ATOM 54 O LYS A 33 6.472 -17.331 -9.728 1.00 0.00 O ATOM 55 CB LYS A 33 8.604 -16.050 -10.862 1.00 0.00 C ATOM 56 CG LYS A 33 9.526 -15.385 -11.875 1.00 0.00 C ATOM 57 CD LYS A 33 10.762 -16.232 -12.138 1.00 0.00 C ATOM 58 CE LYS A 33 11.706 -15.547 -13.115 1.00 0.00 C ATOM 59 NZ LYS A 33 12.944 -16.342 -13.343 1.00 0.00 N ATOM 0 H LYS A 33 8.518 -14.142 -9.174 1.00 0.00 H new ATOM 0 HA LYS A 33 6.871 -14.931 -11.453 1.00 0.00 H new ATOM 0 HB2 LYS A 33 9.163 -16.230 -9.944 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.302 -17.024 -11.248 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.988 -15.224 -12.809 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.827 -14.404 -11.507 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.282 -16.421 -11.199 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.463 -17.201 -12.537 1.00 0.00 H new ATOM 0 HE2 LYS A 33 11.195 -15.392 -14.065 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.973 -14.562 -12.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.560 -15.840 -14.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.446 -16.469 -12.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.692 -17.273 -13.733 1.00 0.00 H new ATOM 73 N GLU A 34 5.396 -15.457 -9.099 1.00 0.00 N ATOM 74 CA GLU A 34 4.224 -16.152 -8.583 1.00 0.00 C ATOM 75 C GLU A 34 3.093 -16.147 -9.607 1.00 0.00 C ATOM 76 O GLU A 34 2.734 -17.189 -10.156 1.00 0.00 O ATOM 77 CB GLU A 34 3.751 -15.512 -7.274 1.00 0.00 C ATOM 78 CG GLU A 34 2.503 -16.146 -6.679 1.00 0.00 C ATOM 79 CD GLU A 34 2.802 -17.501 -6.099 1.00 0.00 C ATOM 80 OE1 GLU A 34 3.957 -17.836 -5.985 1.00 0.00 O ATOM 81 OE2 GLU A 34 1.882 -18.154 -5.664 1.00 0.00 O ATOM 0 H GLU A 34 5.404 -14.452 -8.922 1.00 0.00 H new ATOM 0 HA GLU A 34 4.507 -17.186 -8.386 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.557 -15.571 -6.543 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.557 -14.454 -7.450 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.098 -15.497 -5.903 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.737 -16.239 -7.449 1.00 0.00 H new ATOM 88 N GLU A 35 2.535 -14.967 -9.859 1.00 0.00 N ATOM 89 CA GLU A 35 1.591 -14.786 -10.956 1.00 0.00 C ATOM 90 C GLU A 35 1.831 -13.459 -11.669 1.00 0.00 C ATOM 91 O GLU A 35 2.120 -12.444 -11.036 1.00 0.00 O ATOM 92 CB GLU A 35 0.151 -14.858 -10.443 1.00 0.00 C ATOM 93 CG GLU A 35 -0.252 -16.217 -9.888 1.00 0.00 C ATOM 94 CD GLU A 35 -1.689 -16.222 -9.448 1.00 0.00 C ATOM 95 OE1 GLU A 35 -2.334 -15.209 -9.575 1.00 0.00 O ATOM 96 OE2 GLU A 35 -2.176 -17.270 -9.091 1.00 0.00 O ATOM 0 H GLU A 35 2.720 -14.122 -9.318 1.00 0.00 H new ATOM 0 HA GLU A 35 1.748 -15.593 -11.672 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.018 -14.107 -9.664 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.525 -14.597 -11.257 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.100 -16.983 -10.649 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.390 -16.473 -9.045 1.00 0.00 H new ATOM 103 N LYS A 36 1.709 -13.474 -12.993 1.00 0.00 N ATOM 104 CA LYS A 36 1.976 -12.290 -13.800 1.00 0.00 C ATOM 105 C LYS A 36 0.695 -11.499 -14.044 1.00 0.00 C ATOM 106 O LYS A 36 0.685 -10.533 -14.809 1.00 0.00 O ATOM 107 CB LYS A 36 2.618 -12.681 -15.131 1.00 0.00 C ATOM 108 CG LYS A 36 3.990 -13.329 -15.001 1.00 0.00 C ATOM 109 CD LYS A 36 4.587 -13.637 -16.366 1.00 0.00 C ATOM 110 CE LYS A 36 5.939 -14.326 -16.238 1.00 0.00 C ATOM 111 NZ LYS A 36 6.544 -14.616 -17.565 1.00 0.00 N ATOM 0 H LYS A 36 1.427 -14.294 -13.529 1.00 0.00 H new ATOM 0 HA LYS A 36 2.672 -11.656 -13.250 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.953 -13.369 -15.653 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.708 -11.790 -15.753 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.657 -12.665 -14.451 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.907 -14.249 -14.422 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.904 -14.274 -16.928 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.700 -12.713 -16.932 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.615 -13.694 -15.662 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.821 -15.256 -15.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.463 -15.085 -17.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.912 -15.240 -18.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.681 -13.726 -18.086 1.00 0.00 H new ATOM 125 N LYS A 37 -0.385 -11.914 -13.391 1.00 0.00 N ATOM 126 CA LYS A 37 -1.653 -11.198 -13.476 1.00 0.00 C ATOM 127 C LYS A 37 -1.867 -10.321 -12.247 1.00 0.00 C ATOM 128 O LYS A 37 -2.116 -10.823 -11.152 1.00 0.00 O ATOM 129 CB LYS A 37 -2.815 -12.180 -13.633 1.00 0.00 C ATOM 130 CG LYS A 37 -4.168 -11.522 -13.863 1.00 0.00 C ATOM 131 CD LYS A 37 -4.385 -11.205 -15.336 1.00 0.00 C ATOM 132 CE LYS A 37 -3.790 -9.855 -15.705 1.00 0.00 C ATOM 133 NZ LYS A 37 -4.021 -9.518 -17.136 1.00 0.00 N ATOM 0 H LYS A 37 -0.408 -12.743 -12.797 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.617 -10.554 -14.355 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.602 -12.846 -14.469 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.874 -12.800 -12.739 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.961 -12.182 -13.510 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.233 -10.605 -13.278 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.931 -11.984 -15.948 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.452 -11.207 -15.557 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.228 -9.081 -15.075 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.719 -9.863 -15.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.600 -8.591 -17.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.581 -10.243 -17.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.043 -9.485 -17.324 1.00 0.00 H new ATOM 147 N VAL A 38 -1.769 -9.009 -12.437 1.00 0.00 N ATOM 148 CA VAL A 38 -1.982 -8.062 -11.349 1.00 0.00 C ATOM 149 C VAL A 38 -2.572 -6.755 -11.867 1.00 0.00 C ATOM 150 O VAL A 38 -2.790 -6.593 -13.067 1.00 0.00 O ATOM 151 CB VAL A 38 -0.673 -7.760 -10.596 1.00 0.00 C ATOM 152 CG1 VAL A 38 -0.163 -9.011 -9.894 1.00 0.00 C ATOM 153 CG2 VAL A 38 0.380 -7.223 -11.553 1.00 0.00 C ATOM 0 H VAL A 38 -1.544 -8.578 -13.334 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.686 -8.528 -10.659 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.876 -6.998 -9.843 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.763 -8.780 -9.367 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.910 -9.358 -9.181 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.024 -9.791 -10.632 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.298 -7.015 -11.004 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.580 -7.964 -12.327 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.017 -6.305 -12.015 1.00 0.00 H new ATOM 163 N ARG A 39 -2.828 -5.825 -10.951 1.00 0.00 N ATOM 164 CA ARG A 39 -3.097 -4.441 -11.324 1.00 0.00 C ATOM 165 C ARG A 39 -1.837 -3.589 -11.198 1.00 0.00 C ATOM 166 O ARG A 39 -1.118 -3.673 -10.204 1.00 0.00 O ATOM 167 CB ARG A 39 -4.255 -3.848 -10.535 1.00 0.00 C ATOM 168 CG ARG A 39 -5.550 -4.643 -10.603 1.00 0.00 C ATOM 169 CD ARG A 39 -6.088 -4.816 -11.977 1.00 0.00 C ATOM 170 NE ARG A 39 -6.351 -3.572 -12.683 1.00 0.00 N ATOM 171 CZ ARG A 39 -7.435 -2.795 -12.488 1.00 0.00 C ATOM 172 NH1 ARG A 39 -8.376 -3.147 -11.640 1.00 0.00 N ATOM 173 NH2 ARG A 39 -7.539 -1.681 -13.190 1.00 0.00 N ATOM 0 H ARG A 39 -2.855 -6.005 -9.947 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.401 -4.440 -12.371 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.956 -3.758 -9.491 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.446 -2.839 -10.900 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.383 -5.627 -10.164 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.302 -4.145 -9.991 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.380 -5.407 -12.559 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.013 -5.390 -11.922 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.667 -3.266 -13.375 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.292 -4.019 -11.118 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.190 -2.548 -11.504 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.810 -1.429 -13.858 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.348 -1.073 -13.064 1.00 0.00 H new ATOM 187 N GLU A 40 -1.579 -2.772 -12.214 1.00 0.00 N ATOM 188 CA GLU A 40 -0.245 -2.222 -12.430 1.00 0.00 C ATOM 189 C GLU A 40 -0.028 -0.974 -11.578 1.00 0.00 C ATOM 190 O GLU A 40 -0.934 -0.518 -10.880 1.00 0.00 O ATOM 191 CB GLU A 40 -0.032 -1.894 -13.911 1.00 0.00 C ATOM 192 CG GLU A 40 -0.873 -0.736 -14.425 1.00 0.00 C ATOM 193 CD GLU A 40 -0.634 -0.496 -15.890 1.00 0.00 C ATOM 194 OE1 GLU A 40 0.151 -1.208 -16.469 1.00 0.00 O ATOM 195 OE2 GLU A 40 -1.318 0.324 -16.457 1.00 0.00 O ATOM 0 H GLU A 40 -2.274 -2.476 -12.899 1.00 0.00 H new ATOM 0 HA GLU A 40 0.483 -2.975 -12.130 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.021 -1.662 -14.071 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.257 -2.781 -14.503 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.929 -0.948 -14.256 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.635 0.167 -13.863 1.00 0.00 H new ATOM 202 N LEU A 41 1.182 -0.428 -11.639 1.00 0.00 N ATOM 203 CA LEU A 41 1.497 0.813 -10.938 1.00 0.00 C ATOM 204 C LEU A 41 0.852 2.009 -11.631 1.00 0.00 C ATOM 205 O LEU A 41 1.520 2.772 -12.329 1.00 0.00 O ATOM 206 CB LEU A 41 3.017 1.002 -10.849 1.00 0.00 C ATOM 207 CG LEU A 41 3.725 0.113 -9.819 1.00 0.00 C ATOM 208 CD1 LEU A 41 2.962 0.132 -8.501 1.00 0.00 C ATOM 209 CD2 LEU A 41 3.832 -1.305 -10.358 1.00 0.00 C ATOM 0 H LEU A 41 1.960 -0.824 -12.166 1.00 0.00 H new ATOM 0 HA LEU A 41 1.092 0.747 -9.928 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.449 0.809 -11.831 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.224 2.045 -10.609 1.00 0.00 H new ATOM 0 HG LEU A 41 4.729 0.496 -9.638 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.472 -0.502 -7.776 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.916 1.153 -8.122 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.950 -0.241 -8.661 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.335 -1.936 -9.625 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.833 -1.698 -10.550 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.404 -1.299 -11.286 1.00 0.00 H new ATOM 221 N THR A 42 -0.453 2.169 -11.433 1.00 0.00 N ATOM 222 CA THR A 42 -1.175 3.315 -11.973 1.00 0.00 C ATOM 223 C THR A 42 -1.094 4.508 -11.029 1.00 0.00 C ATOM 224 O THR A 42 -1.001 4.361 -9.808 1.00 0.00 O ATOM 225 CB THR A 42 -2.654 2.979 -12.236 1.00 0.00 C ATOM 226 OG1 THR A 42 -3.301 2.655 -10.999 1.00 0.00 O ATOM 227 CG2 THR A 42 -2.771 1.800 -13.190 1.00 0.00 C ATOM 0 H THR A 42 -1.032 1.519 -10.902 1.00 0.00 H new ATOM 0 HA THR A 42 -0.698 3.570 -12.919 1.00 0.00 H new ATOM 0 HB THR A 42 -3.134 3.847 -12.687 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.247 2.906 -11.049 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.823 1.576 -13.365 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.291 2.049 -14.136 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.283 0.929 -12.753 1.00 0.00 H new ATOM 235 N PRO A 43 -1.131 5.721 -11.601 1.00 0.00 N ATOM 236 CA PRO A 43 -1.154 6.963 -10.822 1.00 0.00 C ATOM 237 C PRO A 43 -2.388 7.069 -9.936 1.00 0.00 C ATOM 238 O PRO A 43 -2.358 7.720 -8.892 1.00 0.00 O ATOM 239 CB PRO A 43 -1.122 8.066 -11.887 1.00 0.00 C ATOM 240 CG PRO A 43 -1.659 7.413 -13.113 1.00 0.00 C ATOM 241 CD PRO A 43 -1.172 5.989 -13.055 1.00 0.00 C ATOM 0 HA PRO A 43 -0.318 7.026 -10.126 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -1.731 8.920 -11.593 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.109 8.436 -12.045 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -2.748 7.455 -13.135 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -1.302 7.914 -14.013 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.847 5.308 -13.574 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -0.190 5.877 -13.516 1.00 0.00 H new ATOM 249 N GLN A 44 -3.472 6.426 -10.359 1.00 0.00 N ATOM 250 CA GLN A 44 -4.690 6.377 -9.560 1.00 0.00 C ATOM 251 C GLN A 44 -4.499 5.496 -8.329 1.00 0.00 C ATOM 252 O GLN A 44 -4.757 5.921 -7.204 1.00 0.00 O ATOM 253 CB GLN A 44 -5.860 5.853 -10.397 1.00 0.00 C ATOM 254 CG GLN A 44 -7.184 5.802 -9.652 1.00 0.00 C ATOM 255 CD GLN A 44 -8.319 5.301 -10.525 1.00 0.00 C ATOM 256 OE1 GLN A 44 -8.112 4.921 -11.681 1.00 0.00 O ATOM 257 NE2 GLN A 44 -9.529 5.300 -9.977 1.00 0.00 N ATOM 0 H GLN A 44 -3.531 5.932 -11.250 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.915 7.391 -9.230 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -5.975 6.486 -11.277 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -5.618 4.852 -10.754 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -7.084 5.152 -8.782 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.427 6.797 -9.280 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -9.655 5.623 -9.018 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.332 4.976 -10.516 1.00 0.00 H new ATOM 266 N GLU A 45 -4.047 4.267 -8.553 1.00 0.00 N ATOM 267 CA GLU A 45 -3.904 3.297 -7.474 1.00 0.00 C ATOM 268 C GLU A 45 -2.898 3.782 -6.434 1.00 0.00 C ATOM 269 O GLU A 45 -3.050 3.526 -5.239 1.00 0.00 O ATOM 270 CB GLU A 45 -3.477 1.936 -8.027 1.00 0.00 C ATOM 271 CG GLU A 45 -4.598 1.144 -8.684 1.00 0.00 C ATOM 272 CD GLU A 45 -4.088 -0.145 -9.267 1.00 0.00 C ATOM 273 OE1 GLU A 45 -3.487 -0.905 -8.545 1.00 0.00 O ATOM 274 OE2 GLU A 45 -4.395 -0.423 -10.402 1.00 0.00 O ATOM 0 H GLU A 45 -3.773 3.919 -9.472 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.874 3.189 -6.989 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.680 2.087 -8.755 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.058 1.343 -7.214 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.375 0.931 -7.949 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.058 1.744 -9.469 1.00 0.00 H new ATOM 281 N LEU A 46 -1.871 4.487 -6.898 1.00 0.00 N ATOM 282 CA LEU A 46 -0.770 4.893 -6.032 1.00 0.00 C ATOM 283 C LEU A 46 -1.141 6.136 -5.228 1.00 0.00 C ATOM 284 O LEU A 46 -0.829 6.233 -4.042 1.00 0.00 O ATOM 285 CB LEU A 46 0.492 5.151 -6.865 1.00 0.00 C ATOM 286 CG LEU A 46 1.122 3.904 -7.499 1.00 0.00 C ATOM 287 CD1 LEU A 46 2.305 4.302 -8.372 1.00 0.00 C ATOM 288 CD2 LEU A 46 1.559 2.942 -6.404 1.00 0.00 C ATOM 0 H LEU A 46 -1.778 4.789 -7.868 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.568 4.083 -5.331 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.247 5.858 -7.658 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.236 5.631 -6.229 1.00 0.00 H new ATOM 0 HG LEU A 46 0.386 3.406 -8.130 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.745 3.410 -8.817 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.965 4.972 -9.162 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.053 4.810 -7.762 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.006 2.056 -6.855 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.291 3.431 -5.761 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.693 2.649 -5.810 1.00 0.00 H new ATOM 300 N GLU A 47 -1.808 7.081 -5.883 1.00 0.00 N ATOM 301 CA GLU A 47 -2.145 8.352 -5.252 1.00 0.00 C ATOM 302 C GLU A 47 -3.214 8.162 -4.181 1.00 0.00 C ATOM 303 O GLU A 47 -3.128 8.737 -3.094 1.00 0.00 O ATOM 304 CB GLU A 47 -2.618 9.361 -6.301 1.00 0.00 C ATOM 305 CG GLU A 47 -1.505 9.952 -7.154 1.00 0.00 C ATOM 306 CD GLU A 47 -2.059 10.813 -8.256 1.00 0.00 C ATOM 307 OE1 GLU A 47 -3.258 10.886 -8.380 1.00 0.00 O ATOM 308 OE2 GLU A 47 -1.289 11.485 -8.900 1.00 0.00 O ATOM 0 H GLU A 47 -2.125 6.991 -6.848 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.247 8.740 -4.772 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.341 8.874 -6.956 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.142 10.173 -5.796 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.839 10.544 -6.527 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.907 9.148 -7.583 1.00 0.00 H new ATOM 315 N LEU A 48 -4.220 7.355 -4.494 1.00 0.00 N ATOM 316 CA LEU A 48 -5.312 7.094 -3.562 1.00 0.00 C ATOM 317 C LEU A 48 -4.808 6.350 -2.329 1.00 0.00 C ATOM 318 O LEU A 48 -5.382 6.461 -1.246 1.00 0.00 O ATOM 319 CB LEU A 48 -6.412 6.282 -4.247 1.00 0.00 C ATOM 320 CG LEU A 48 -6.138 4.788 -4.416 1.00 0.00 C ATOM 321 CD1 LEU A 48 -6.457 4.039 -3.130 1.00 0.00 C ATOM 322 CD2 LEU A 48 -6.944 4.224 -5.576 1.00 0.00 C ATOM 0 H LEU A 48 -4.303 6.869 -5.387 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.722 8.053 -3.244 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.332 6.400 -3.675 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.592 6.711 -5.232 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.079 4.656 -4.638 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.256 2.977 -3.268 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.836 4.424 -2.321 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.508 4.180 -2.878 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.735 3.159 -5.680 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.007 4.368 -5.384 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.668 4.740 -6.496 1.00 0.00 H new ATOM 334 N PHE A 49 -3.729 5.593 -2.501 1.00 0.00 N ATOM 335 CA PHE A 49 -3.113 4.876 -1.391 1.00 0.00 C ATOM 336 C PHE A 49 -2.486 5.849 -0.397 1.00 0.00 C ATOM 337 O PHE A 49 -2.827 5.856 0.785 1.00 0.00 O ATOM 338 CB PHE A 49 -2.060 3.893 -1.905 1.00 0.00 C ATOM 339 CG PHE A 49 -1.371 3.118 -0.818 1.00 0.00 C ATOM 340 CD1 PHE A 49 -1.934 1.956 -0.313 1.00 0.00 C ATOM 341 CD2 PHE A 49 -0.160 3.551 -0.299 1.00 0.00 C ATOM 342 CE1 PHE A 49 -1.300 1.242 0.688 1.00 0.00 C ATOM 343 CE2 PHE A 49 0.475 2.839 0.700 1.00 0.00 C ATOM 344 CZ PHE A 49 -0.096 1.683 1.194 1.00 0.00 C ATOM 0 H PHE A 49 -3.263 5.460 -3.399 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.893 4.315 -0.877 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.535 3.193 -2.592 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.312 4.443 -2.476 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.877 1.605 -0.705 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.292 4.455 -0.680 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.749 0.338 1.073 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.418 3.187 1.095 1.00 0.00 H new ATOM 0 HZ PHE A 49 0.400 1.126 1.975 1.00 0.00 H new ATOM 354 N LYS A 50 -1.560 6.669 -0.887 1.00 0.00 N ATOM 355 CA LYS A 50 -0.887 7.651 -0.047 1.00 0.00 C ATOM 356 C LYS A 50 -1.874 8.699 0.463 1.00 0.00 C ATOM 357 O LYS A 50 -1.672 9.290 1.523 1.00 0.00 O ATOM 358 CB LYS A 50 0.239 8.334 -0.825 1.00 0.00 C ATOM 359 CG LYS A 50 -0.253 9.223 -1.953 1.00 0.00 C ATOM 360 CD LYS A 50 0.899 9.925 -2.653 1.00 0.00 C ATOM 361 CE LYS A 50 0.399 10.955 -3.655 1.00 0.00 C ATOM 362 NZ LYS A 50 1.517 11.591 -4.404 1.00 0.00 N ATOM 0 H LYS A 50 -1.260 6.672 -1.862 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.463 7.128 0.810 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.834 8.932 -0.135 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.899 7.571 -1.237 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.807 8.623 -2.675 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.946 9.965 -1.557 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.532 10.414 -1.913 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.518 9.188 -3.165 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.283 10.476 -4.358 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.171 11.723 -3.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.134 12.286 -5.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.154 12.070 -3.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.046 10.862 -4.924 1.00 0.00 H new ATOM 376 N ARG A 51 -2.939 8.922 -0.300 1.00 0.00 N ATOM 377 CA ARG A 51 -4.001 9.829 0.117 1.00 0.00 C ATOM 378 C ARG A 51 -4.718 9.293 1.354 1.00 0.00 C ATOM 379 O ARG A 51 -4.841 9.988 2.362 1.00 0.00 O ATOM 380 CB ARG A 51 -4.977 10.130 -1.011 1.00 0.00 C ATOM 381 CG ARG A 51 -6.095 11.096 -0.648 1.00 0.00 C ATOM 382 CD ARG A 51 -7.012 11.419 -1.771 1.00 0.00 C ATOM 383 NE ARG A 51 -8.090 12.332 -1.425 1.00 0.00 N ATOM 384 CZ ARG A 51 -9.043 12.751 -2.280 1.00 0.00 C ATOM 385 NH1 ARG A 51 -9.034 12.375 -3.540 1.00 0.00 N ATOM 386 NH2 ARG A 51 -9.973 13.572 -1.825 1.00 0.00 N ATOM 0 H ARG A 51 -3.089 8.487 -1.210 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.534 10.777 0.383 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.421 10.541 -1.854 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.421 9.193 -1.348 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.677 10.670 0.169 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.654 12.021 -0.277 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.431 11.854 -2.584 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.445 10.492 -2.148 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.127 12.680 -0.467 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.298 11.757 -3.883 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.763 12.701 -4.175 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.956 13.871 -0.850 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.708 13.906 -2.449 1.00 0.00 H new ATOM 400 N ALA A 52 -5.191 8.054 1.267 1.00 0.00 N ATOM 401 CA ALA A 52 -5.877 7.418 2.384 1.00 0.00 C ATOM 402 C ALA A 52 -4.915 7.142 3.535 1.00 0.00 C ATOM 403 O ALA A 52 -5.279 7.267 4.705 1.00 0.00 O ATOM 404 CB ALA A 52 -6.543 6.128 1.929 1.00 0.00 C ATOM 0 H ALA A 52 -5.111 7.471 0.434 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.645 8.103 2.744 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.052 5.664 2.774 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.268 6.349 1.146 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.787 5.445 1.541 1.00 0.00 H new ATOM 410 N MET A 53 -3.686 6.766 3.195 1.00 0.00 N ATOM 411 CA MET A 53 -2.677 6.455 4.201 1.00 0.00 C ATOM 412 C MET A 53 -2.230 7.719 4.928 1.00 0.00 C ATOM 413 O MET A 53 -1.831 7.668 6.091 1.00 0.00 O ATOM 414 CB MET A 53 -1.479 5.763 3.554 1.00 0.00 C ATOM 415 CG MET A 53 -0.461 5.212 4.542 1.00 0.00 C ATOM 416 SD MET A 53 -1.151 3.935 5.612 1.00 0.00 S ATOM 417 CE MET A 53 -1.341 2.586 4.452 1.00 0.00 C ATOM 0 H MET A 53 -3.365 6.669 2.232 1.00 0.00 H new ATOM 0 HA MET A 53 -3.120 5.779 4.932 1.00 0.00 H new ATOM 0 HB2 MET A 53 -1.841 4.946 2.930 1.00 0.00 H new ATOM 0 HB3 MET A 53 -0.979 6.471 2.893 1.00 0.00 H new ATOM 0 HG2 MET A 53 0.387 4.802 3.993 1.00 0.00 H new ATOM 0 HG3 MET A 53 -0.079 6.027 5.156 1.00 0.00 H new ATOM 0 HE1 MET A 53 -1.606 1.677 4.992 1.00 0.00 H new ATOM 0 HE2 MET A 53 -2.129 2.828 3.739 1.00 0.00 H new ATOM 0 HE3 MET A 53 -0.404 2.431 3.918 1.00 0.00 H new ATOM 427 N GLY A 54 -2.297 8.852 4.236 1.00 0.00 N ATOM 428 CA GLY A 54 -1.902 10.113 4.835 1.00 0.00 C ATOM 429 C GLY A 54 -0.403 10.332 4.794 1.00 0.00 C ATOM 430 O GLY A 54 0.173 10.905 5.718 1.00 0.00 O ATOM 0 H GLY A 54 -2.618 8.919 3.270 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.400 10.931 4.313 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.242 10.142 5.870 1.00 0.00 H new ATOM 434 N ILE A 55 0.230 9.873 3.719 1.00 0.00 N ATOM 435 CA ILE A 55 1.682 9.930 3.608 1.00 0.00 C ATOM 436 C ILE A 55 2.156 11.347 3.300 1.00 0.00 C ATOM 437 O ILE A 55 1.828 11.910 2.255 1.00 0.00 O ATOM 438 CB ILE A 55 2.203 8.975 2.518 1.00 0.00 C ATOM 439 CG1 ILE A 55 1.862 7.525 2.871 1.00 0.00 C ATOM 440 CG2 ILE A 55 3.703 9.143 2.336 1.00 0.00 C ATOM 441 CD1 ILE A 55 2.179 6.538 1.771 1.00 0.00 C ATOM 0 H ILE A 55 -0.239 9.458 2.914 1.00 0.00 H new ATOM 0 HA ILE A 55 2.084 9.618 4.572 1.00 0.00 H new ATOM 0 HB ILE A 55 1.714 9.224 1.576 1.00 0.00 H new ATOM 0 HG12 ILE A 55 2.410 7.241 3.770 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.801 7.459 3.110 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.054 8.461 1.562 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.921 10.169 2.041 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.211 8.920 3.274 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.910 5.533 2.095 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.611 6.795 0.877 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.245 6.574 1.546 1.00 0.00 H new ATOM 453 N THR A 56 2.931 11.917 4.219 1.00 0.00 N ATOM 454 CA THR A 56 3.401 13.289 4.074 1.00 0.00 C ATOM 455 C THR A 56 4.775 13.333 3.416 1.00 0.00 C ATOM 456 O THR A 56 5.524 12.356 3.419 1.00 0.00 O ATOM 457 CB THR A 56 3.469 14.009 5.434 1.00 0.00 C ATOM 458 OG1 THR A 56 4.477 13.398 6.251 1.00 0.00 O ATOM 459 CG2 THR A 56 2.128 13.931 6.148 1.00 0.00 C ATOM 0 H THR A 56 3.245 11.450 5.070 1.00 0.00 H new ATOM 0 HA THR A 56 2.681 13.803 3.438 1.00 0.00 H new ATOM 0 HB THR A 56 3.716 15.056 5.261 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.652 12.489 5.929 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.196 14.445 7.107 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.361 14.405 5.535 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.865 12.886 6.314 1.00 0.00 H new ATOM 467 N PRO A 57 5.118 14.495 2.838 1.00 0.00 N ATOM 468 CA PRO A 57 6.440 14.725 2.248 1.00 0.00 C ATOM 469 C PRO A 57 7.559 14.635 3.280 1.00 0.00 C ATOM 470 O PRO A 57 8.736 14.556 2.928 1.00 0.00 O ATOM 471 CB PRO A 57 6.335 16.129 1.644 1.00 0.00 C ATOM 472 CG PRO A 57 5.231 16.779 2.406 1.00 0.00 C ATOM 473 CD PRO A 57 4.239 15.682 2.686 1.00 0.00 C ATOM 0 HA PRO A 57 6.696 13.967 1.507 1.00 0.00 H new ATOM 0 HB2 PRO A 57 7.270 16.679 1.752 1.00 0.00 H new ATOM 0 HB3 PRO A 57 6.111 16.087 0.578 1.00 0.00 H new ATOM 0 HG2 PRO A 57 5.600 17.221 3.332 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.775 17.583 1.828 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.660 15.878 3.588 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.527 15.559 1.870 1.00 0.00 H new ATOM 481 N HIS A 58 7.184 14.651 4.555 1.00 0.00 N ATOM 482 CA HIS A 58 8.156 14.538 5.638 1.00 0.00 C ATOM 483 C HIS A 58 8.552 13.082 5.863 1.00 0.00 C ATOM 484 O HIS A 58 9.695 12.787 6.207 1.00 0.00 O ATOM 485 CB HIS A 58 7.597 15.137 6.933 1.00 0.00 C ATOM 486 CG HIS A 58 7.337 16.608 6.852 1.00 0.00 C ATOM 487 ND1 HIS A 58 8.350 17.537 6.737 1.00 0.00 N ATOM 488 CD2 HIS A 58 6.182 17.313 6.872 1.00 0.00 C ATOM 489 CE1 HIS A 58 7.827 18.750 6.687 1.00 0.00 C ATOM 490 NE2 HIS A 58 6.514 18.641 6.767 1.00 0.00 N ATOM 0 H HIS A 58 6.216 14.741 4.864 1.00 0.00 H new ATOM 0 HA HIS A 58 9.045 15.098 5.349 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.668 14.626 7.188 1.00 0.00 H new ATOM 0 HB3 HIS A 58 8.299 14.945 7.744 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.185 16.907 6.955 1.00 0.00 H new ATOM 0 HE1 HIS A 58 8.380 19.673 6.596 1.00 0.00 H new ATOM 0 HE2 HIS A 58 5.853 19.418 6.753 1.00 0.00 H new ATOM 498 N ASN A 59 7.599 12.176 5.666 1.00 0.00 N ATOM 499 CA ASN A 59 7.861 10.749 5.805 1.00 0.00 C ATOM 500 C ASN A 59 7.621 10.021 4.486 1.00 0.00 C ATOM 501 O ASN A 59 7.454 8.801 4.461 1.00 0.00 O ATOM 502 CB ASN A 59 7.019 10.133 6.907 1.00 0.00 C ATOM 503 CG ASN A 59 5.539 10.217 6.658 1.00 0.00 C ATOM 504 OD1 ASN A 59 5.089 10.811 5.670 1.00 0.00 O ATOM 505 ND2 ASN A 59 4.778 9.700 7.588 1.00 0.00 N ATOM 0 H ASN A 59 6.639 12.406 5.410 1.00 0.00 H new ATOM 0 HA ASN A 59 8.910 10.636 6.080 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.300 9.086 7.024 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.249 10.632 7.849 1.00 0.00 H new ATOM 0 HD21 ASN A 59 3.763 9.777 7.518 1.00 0.00 H new ATOM 0 HD22 ASN A 59 5.199 9.220 8.383 1.00 0.00 H new ATOM 512 N TYR A 60 7.609 10.776 3.394 1.00 0.00 N ATOM 513 CA TYR A 60 7.439 10.197 2.066 1.00 0.00 C ATOM 514 C TYR A 60 8.616 9.295 1.711 1.00 0.00 C ATOM 515 O TYR A 60 8.433 8.165 1.260 1.00 0.00 O ATOM 516 CB TYR A 60 7.284 11.300 1.016 1.00 0.00 C ATOM 517 CG TYR A 60 7.073 10.782 -0.389 1.00 0.00 C ATOM 518 CD1 TYR A 60 5.824 10.359 -0.813 1.00 0.00 C ATOM 519 CD2 TYR A 60 8.128 10.721 -1.288 1.00 0.00 C ATOM 520 CE1 TYR A 60 5.626 9.885 -2.096 1.00 0.00 C ATOM 521 CE2 TYR A 60 7.943 10.249 -2.573 1.00 0.00 C ATOM 522 CZ TYR A 60 6.689 9.832 -2.974 1.00 0.00 C ATOM 523 OH TYR A 60 6.500 9.362 -4.253 1.00 0.00 O ATOM 0 H TYR A 60 7.715 11.790 3.401 1.00 0.00 H new ATOM 0 HA TYR A 60 6.533 9.591 2.076 1.00 0.00 H new ATOM 0 HB2 TYR A 60 6.440 11.933 1.290 1.00 0.00 H new ATOM 0 HB3 TYR A 60 8.173 11.930 1.031 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.990 10.400 -0.128 1.00 0.00 H new ATOM 0 HD2 TYR A 60 9.110 11.048 -0.978 1.00 0.00 H new ATOM 0 HE1 TYR A 60 4.645 9.558 -2.409 1.00 0.00 H new ATOM 0 HE2 TYR A 60 8.775 10.206 -3.261 1.00 0.00 H new ATOM 0 HH TYR A 60 7.349 9.392 -4.741 1.00 0.00 H new ATOM 533 N TRP A 61 9.826 9.804 1.917 1.00 0.00 N ATOM 534 CA TRP A 61 11.035 9.033 1.648 1.00 0.00 C ATOM 535 C TRP A 61 11.109 7.804 2.545 1.00 0.00 C ATOM 536 O TRP A 61 11.710 6.794 2.182 1.00 0.00 O ATOM 537 CB TRP A 61 12.279 9.903 1.842 1.00 0.00 C ATOM 538 CG TRP A 61 12.512 10.303 3.268 1.00 0.00 C ATOM 539 CD1 TRP A 61 12.015 11.404 3.898 1.00 0.00 C ATOM 540 CD2 TRP A 61 13.300 9.605 4.240 1.00 0.00 C ATOM 541 NE1 TRP A 61 12.444 11.438 5.201 1.00 0.00 N ATOM 542 CE2 TRP A 61 13.234 10.341 5.436 1.00 0.00 C ATOM 543 CE3 TRP A 61 14.055 8.426 4.214 1.00 0.00 C ATOM 544 CZ2 TRP A 61 13.892 9.945 6.591 1.00 0.00 C ATOM 545 CZ3 TRP A 61 14.714 8.028 5.372 1.00 0.00 C ATOM 546 CH2 TRP A 61 14.632 8.765 6.526 1.00 0.00 C ATOM 0 H TRP A 61 9.996 10.746 2.269 1.00 0.00 H new ATOM 0 HA TRP A 61 10.997 8.699 0.611 1.00 0.00 H new ATOM 0 HB2 TRP A 61 13.152 9.361 1.477 1.00 0.00 H new ATOM 0 HB3 TRP A 61 12.183 10.801 1.232 1.00 0.00 H new ATOM 0 HD1 TRP A 61 11.376 12.143 3.438 1.00 0.00 H new ATOM 0 HE1 TRP A 61 12.213 12.160 5.883 1.00 0.00 H new ATOM 0 HE3 TRP A 61 14.124 7.837 3.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 13.834 10.525 7.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 15.301 7.122 5.363 1.00 0.00 H new ATOM 0 HH2 TRP A 61 15.154 8.422 7.407 1.00 0.00 H new ATOM 557 N GLN A 62 10.492 7.897 3.721 1.00 0.00 N ATOM 558 CA GLN A 62 10.415 6.762 4.633 1.00 0.00 C ATOM 559 C GLN A 62 9.479 5.689 4.088 1.00 0.00 C ATOM 560 O GLN A 62 9.766 4.495 4.183 1.00 0.00 O ATOM 561 CB GLN A 62 9.935 7.216 6.014 1.00 0.00 C ATOM 562 CG GLN A 62 10.949 8.048 6.782 1.00 0.00 C ATOM 563 CD GLN A 62 10.424 8.498 8.133 1.00 0.00 C ATOM 564 OE1 GLN A 62 9.263 8.257 8.475 1.00 0.00 O ATOM 565 NE2 GLN A 62 11.277 9.159 8.908 1.00 0.00 N ATOM 0 H GLN A 62 10.040 8.745 4.063 1.00 0.00 H new ATOM 0 HA GLN A 62 11.415 6.338 4.725 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.020 7.796 5.896 1.00 0.00 H new ATOM 0 HB3 GLN A 62 9.680 6.336 6.605 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.859 7.466 6.925 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.220 8.923 6.191 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.228 9.336 8.585 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.981 9.489 9.826 1.00 0.00 H new ATOM 574 N TRP A 63 8.358 6.121 3.519 1.00 0.00 N ATOM 575 CA TRP A 63 7.396 5.199 2.930 1.00 0.00 C ATOM 576 C TRP A 63 7.913 4.645 1.606 1.00 0.00 C ATOM 577 O TRP A 63 7.490 3.578 1.161 1.00 0.00 O ATOM 578 CB TRP A 63 6.053 5.900 2.714 1.00 0.00 C ATOM 579 CG TRP A 63 5.127 5.781 3.886 1.00 0.00 C ATOM 580 CD1 TRP A 63 4.956 6.692 4.889 1.00 0.00 C ATOM 581 CD2 TRP A 63 4.247 4.691 4.178 1.00 0.00 C ATOM 582 NE1 TRP A 63 4.023 6.233 5.787 1.00 0.00 N ATOM 583 CE2 TRP A 63 3.572 5.007 5.373 1.00 0.00 C ATOM 584 CE3 TRP A 63 3.962 3.478 3.545 1.00 0.00 C ATOM 585 CZ2 TRP A 63 2.632 4.155 5.945 1.00 0.00 C ATOM 586 CZ3 TRP A 63 3.030 2.633 4.116 1.00 0.00 C ATOM 587 CH2 TRP A 63 2.373 2.974 5.304 1.00 0.00 C ATOM 0 H TRP A 63 8.094 7.104 3.454 1.00 0.00 H new ATOM 0 HA TRP A 63 7.257 4.367 3.621 1.00 0.00 H new ATOM 0 HB2 TRP A 63 6.231 6.955 2.506 1.00 0.00 H new ATOM 0 HB3 TRP A 63 5.569 5.479 1.833 1.00 0.00 H new ATOM 0 HD1 TRP A 63 5.478 7.635 4.965 1.00 0.00 H new ATOM 0 HE1 TRP A 63 3.716 6.725 6.626 1.00 0.00 H new ATOM 0 HE3 TRP A 63 4.461 3.206 2.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 2.125 4.417 6.862 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 2.804 1.692 3.637 1.00 0.00 H new ATOM 0 HH2 TRP A 63 1.648 2.292 5.723 1.00 0.00 H new ATOM 598 N ALA A 64 8.831 5.376 0.981 1.00 0.00 N ATOM 599 CA ALA A 64 9.516 4.888 -0.208 1.00 0.00 C ATOM 600 C ALA A 64 10.285 3.606 0.088 1.00 0.00 C ATOM 601 O ALA A 64 10.239 2.649 -0.685 1.00 0.00 O ATOM 602 CB ALA A 64 10.455 5.956 -0.752 1.00 0.00 C ATOM 0 H ALA A 64 9.117 6.309 1.279 1.00 0.00 H new ATOM 0 HA ALA A 64 8.763 4.662 -0.963 1.00 0.00 H new ATOM 0 HB1 ALA A 64 10.960 5.578 -1.641 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.882 6.846 -1.012 1.00 0.00 H new ATOM 0 HB3 ALA A 64 11.196 6.210 0.006 1.00 0.00 H new ATOM 608 N SER A 65 10.993 3.592 1.213 1.00 0.00 N ATOM 609 CA SER A 65 11.713 2.403 1.648 1.00 0.00 C ATOM 610 C SER A 65 10.748 1.346 2.176 1.00 0.00 C ATOM 611 O SER A 65 11.047 0.152 2.160 1.00 0.00 O ATOM 612 CB SER A 65 12.734 2.767 2.709 1.00 0.00 C ATOM 613 OG SER A 65 12.128 3.202 3.896 1.00 0.00 O ATOM 0 H SER A 65 11.083 4.392 1.840 1.00 0.00 H new ATOM 0 HA SER A 65 12.236 1.984 0.788 1.00 0.00 H new ATOM 0 HB2 SER A 65 13.362 1.901 2.919 1.00 0.00 H new ATOM 0 HB3 SER A 65 13.389 3.551 2.328 1.00 0.00 H new ATOM 0 HG SER A 65 11.269 3.626 3.688 1.00 0.00 H new ATOM 619 N ARG A 66 9.589 1.796 2.646 1.00 0.00 N ATOM 620 CA ARG A 66 8.560 0.888 3.137 1.00 0.00 C ATOM 621 C ARG A 66 7.953 0.083 1.991 1.00 0.00 C ATOM 622 O ARG A 66 7.727 -1.120 2.113 1.00 0.00 O ATOM 623 CB ARG A 66 7.490 1.611 3.942 1.00 0.00 C ATOM 624 CG ARG A 66 6.331 0.738 4.394 1.00 0.00 C ATOM 625 CD ARG A 66 6.717 -0.368 5.308 1.00 0.00 C ATOM 626 NE ARG A 66 7.259 0.068 6.586 1.00 0.00 N ATOM 627 CZ ARG A 66 7.804 -0.752 7.505 1.00 0.00 C ATOM 628 NH1 ARG A 66 7.846 -2.052 7.312 1.00 0.00 N ATOM 629 NH2 ARG A 66 8.273 -0.218 8.618 1.00 0.00 N ATOM 0 H ARG A 66 9.339 2.784 2.697 1.00 0.00 H new ATOM 0 HA ARG A 66 9.043 0.190 3.821 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.956 2.055 4.822 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.096 2.431 3.341 1.00 0.00 H new ATOM 0 HG2 ARG A 66 5.593 1.365 4.894 1.00 0.00 H new ATOM 0 HG3 ARG A 66 5.846 0.314 3.514 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.843 -0.992 5.492 1.00 0.00 H new ATOM 0 HD3 ARG A 66 7.456 -0.994 4.809 1.00 0.00 H new ATOM 0 HE ARG A 66 7.224 1.064 6.801 1.00 0.00 H new ATOM 0 HH11 ARG A 66 7.462 -2.453 6.456 1.00 0.00 H new ATOM 0 HH12 ARG A 66 8.262 -2.659 8.018 1.00 0.00 H new ATOM 0 HH21 ARG A 66 8.217 0.790 8.763 1.00 0.00 H new ATOM 0 HH22 ARG A 66 8.691 -0.814 9.333 1.00 0.00 H new ATOM 643 N THR A 67 7.689 0.759 0.876 1.00 0.00 N ATOM 644 CA THR A 67 6.886 0.181 -0.195 1.00 0.00 C ATOM 645 C THR A 67 7.756 -0.209 -1.384 1.00 0.00 C ATOM 646 O THR A 67 7.252 -0.453 -2.479 1.00 0.00 O ATOM 647 CB THR A 67 5.792 1.156 -0.668 1.00 0.00 C ATOM 648 OG1 THR A 67 6.394 2.387 -1.088 1.00 0.00 O ATOM 649 CG2 THR A 67 4.803 1.435 0.453 1.00 0.00 C ATOM 0 H THR A 67 8.019 1.706 0.692 1.00 0.00 H new ATOM 0 HA THR A 67 6.412 -0.712 0.212 1.00 0.00 H new ATOM 0 HB THR A 67 5.259 0.701 -1.503 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.694 3.022 -1.346 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.038 2.126 0.099 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.334 0.502 0.765 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.328 1.877 1.300 1.00 0.00 H new ATOM 657 N ASN A 68 9.065 -0.265 -1.161 1.00 0.00 N ATOM 658 CA ASN A 68 10.005 -0.641 -2.212 1.00 0.00 C ATOM 659 C ASN A 68 9.830 0.247 -3.440 1.00 0.00 C ATOM 660 O ASN A 68 9.528 -0.236 -4.530 1.00 0.00 O ATOM 661 CB ASN A 68 9.857 -2.103 -2.594 1.00 0.00 C ATOM 662 CG ASN A 68 10.996 -2.629 -3.422 1.00 0.00 C ATOM 663 OD1 ASN A 68 12.109 -2.092 -3.397 1.00 0.00 O ATOM 664 ND2 ASN A 68 10.701 -3.624 -4.220 1.00 0.00 N ATOM 0 H ASN A 68 9.499 -0.055 -0.262 1.00 0.00 H new ATOM 0 HA ASN A 68 11.011 -0.496 -1.817 1.00 0.00 H new ATOM 0 HB2 ASN A 68 9.773 -2.700 -1.686 1.00 0.00 H new ATOM 0 HB3 ASN A 68 8.927 -2.233 -3.147 1.00 0.00 H new ATOM 0 HD21 ASN A 68 11.406 -3.991 -4.860 1.00 0.00 H new ATOM 0 HD22 ASN A 68 9.767 -4.033 -4.202 1.00 0.00 H new ATOM 671 N ASN A 69 10.024 1.549 -3.254 1.00 0.00 N ATOM 672 CA ASN A 69 9.847 2.510 -4.336 1.00 0.00 C ATOM 673 C ASN A 69 8.390 2.562 -4.785 1.00 0.00 C ATOM 674 O ASN A 69 8.099 2.755 -5.966 1.00 0.00 O ATOM 675 CB ASN A 69 10.750 2.194 -5.515 1.00 0.00 C ATOM 676 CG ASN A 69 11.021 3.376 -6.403 1.00 0.00 C ATOM 677 OD1 ASN A 69 11.008 4.530 -5.958 1.00 0.00 O ATOM 678 ND2 ASN A 69 11.185 3.102 -7.673 1.00 0.00 N ATOM 0 H ASN A 69 10.304 1.962 -2.364 1.00 0.00 H new ATOM 0 HA ASN A 69 10.128 3.490 -3.950 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.698 1.807 -5.142 1.00 0.00 H new ATOM 0 HB3 ASN A 69 10.294 1.402 -6.109 1.00 0.00 H new ATOM 0 HD21 ASN A 69 11.310 3.858 -8.346 1.00 0.00 H new ATOM 0 HD22 ASN A 69 11.188 2.132 -7.989 1.00 0.00 H new ATOM 685 N PHE A 70 7.478 2.389 -3.835 1.00 0.00 N ATOM 686 CA PHE A 70 6.050 2.463 -4.122 1.00 0.00 C ATOM 687 C PHE A 70 5.688 1.578 -5.313 1.00 0.00 C ATOM 688 O PHE A 70 4.923 1.979 -6.190 1.00 0.00 O ATOM 689 CB PHE A 70 5.633 3.910 -4.393 1.00 0.00 C ATOM 690 CG PHE A 70 5.859 4.833 -3.229 1.00 0.00 C ATOM 691 CD1 PHE A 70 4.949 4.895 -2.186 1.00 0.00 C ATOM 692 CD2 PHE A 70 6.986 5.640 -3.176 1.00 0.00 C ATOM 693 CE1 PHE A 70 5.155 5.745 -1.117 1.00 0.00 C ATOM 694 CE2 PHE A 70 7.197 6.490 -2.107 1.00 0.00 C ATOM 695 CZ PHE A 70 6.281 6.542 -1.078 1.00 0.00 C ATOM 0 H PHE A 70 7.702 2.196 -2.859 1.00 0.00 H new ATOM 0 HA PHE A 70 5.510 2.100 -3.248 1.00 0.00 H new ATOM 0 HB2 PHE A 70 6.188 4.283 -5.254 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.577 3.930 -4.661 1.00 0.00 H new ATOM 0 HD1 PHE A 70 4.068 4.271 -2.209 1.00 0.00 H new ATOM 0 HD2 PHE A 70 7.707 5.604 -3.979 1.00 0.00 H new ATOM 0 HE1 PHE A 70 4.436 5.786 -0.312 1.00 0.00 H new ATOM 0 HE2 PHE A 70 8.079 7.113 -2.078 1.00 0.00 H new ATOM 0 HZ PHE A 70 6.444 7.206 -0.242 1.00 0.00 H new ATOM 705 N LYS A 71 6.244 0.372 -5.335 1.00 0.00 N ATOM 706 CA LYS A 71 5.847 -0.636 -6.311 1.00 0.00 C ATOM 707 C LYS A 71 4.757 -1.540 -5.745 1.00 0.00 C ATOM 708 O LYS A 71 4.976 -2.733 -5.530 1.00 0.00 O ATOM 709 CB LYS A 71 7.052 -1.471 -6.745 1.00 0.00 C ATOM 710 CG LYS A 71 8.145 -0.678 -7.450 1.00 0.00 C ATOM 711 CD LYS A 71 7.626 -0.035 -8.727 1.00 0.00 C ATOM 712 CE LYS A 71 7.443 -1.067 -9.830 1.00 0.00 C ATOM 713 NZ LYS A 71 8.737 -1.452 -10.455 1.00 0.00 N ATOM 0 H LYS A 71 6.971 0.068 -4.688 1.00 0.00 H new ATOM 0 HA LYS A 71 5.448 -0.119 -7.184 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.480 -1.954 -5.866 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.709 -2.264 -7.410 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.526 0.093 -6.781 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.981 -1.337 -7.686 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.675 0.460 -8.527 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.323 0.735 -9.058 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.961 -1.954 -9.420 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.777 -0.666 -10.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.562 -2.118 -11.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.210 -0.603 -10.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.345 -1.905 -9.743 1.00 0.00 H new ATOM 727 N LEU A 72 3.581 -0.967 -5.510 1.00 0.00 N ATOM 728 CA LEU A 72 2.458 -1.721 -4.961 1.00 0.00 C ATOM 729 C LEU A 72 1.651 -2.378 -6.075 1.00 0.00 C ATOM 730 O LEU A 72 1.258 -1.723 -7.041 1.00 0.00 O ATOM 731 CB LEU A 72 1.562 -0.804 -4.118 1.00 0.00 C ATOM 732 CG LEU A 72 2.248 -0.148 -2.914 1.00 0.00 C ATOM 733 CD1 LEU A 72 1.332 0.900 -2.297 1.00 0.00 C ATOM 734 CD2 LEU A 72 2.612 -1.216 -1.892 1.00 0.00 C ATOM 0 H LEU A 72 3.380 0.017 -5.691 1.00 0.00 H new ATOM 0 HA LEU A 72 2.854 -2.508 -4.319 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.165 -0.019 -4.762 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.711 -1.383 -3.760 1.00 0.00 H new ATOM 0 HG LEU A 72 3.161 0.349 -3.242 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.829 1.360 -1.443 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.103 1.665 -3.039 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.407 0.426 -1.967 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.100 -0.749 -1.036 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.707 -1.726 -1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.290 -1.938 -2.346 1.00 0.00 H new ATOM 746 N LEU A 73 1.402 -3.676 -5.931 1.00 0.00 N ATOM 747 CA LEU A 73 0.540 -4.397 -6.861 1.00 0.00 C ATOM 748 C LEU A 73 -0.613 -5.068 -6.123 1.00 0.00 C ATOM 749 O LEU A 73 -0.519 -5.356 -4.929 1.00 0.00 O ATOM 750 CB LEU A 73 1.352 -5.435 -7.644 1.00 0.00 C ATOM 751 CG LEU A 73 2.457 -4.860 -8.538 1.00 0.00 C ATOM 752 CD1 LEU A 73 3.389 -5.973 -8.998 1.00 0.00 C ATOM 753 CD2 LEU A 73 1.830 -4.155 -9.733 1.00 0.00 C ATOM 0 H LEU A 73 1.785 -4.250 -5.180 1.00 0.00 H new ATOM 0 HA LEU A 73 0.120 -3.679 -7.565 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.804 -6.129 -6.935 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.669 -6.014 -8.265 1.00 0.00 H new ATOM 0 HG LEU A 73 3.043 -4.137 -7.971 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.170 -5.554 -9.632 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.843 -6.449 -8.129 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.821 -6.713 -9.562 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.616 -3.746 -10.368 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.235 -4.867 -10.305 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.189 -3.346 -9.383 1.00 0.00 H new ATOM 765 N THR A 74 -1.704 -5.319 -6.842 1.00 0.00 N ATOM 766 CA THR A 74 -2.882 -5.943 -6.253 1.00 0.00 C ATOM 767 C THR A 74 -3.764 -6.571 -7.325 1.00 0.00 C ATOM 768 O THR A 74 -3.805 -6.102 -8.465 1.00 0.00 O ATOM 769 CB THR A 74 -3.712 -4.930 -5.444 1.00 0.00 C ATOM 770 OG1 THR A 74 -4.791 -5.610 -4.789 1.00 0.00 O ATOM 771 CG2 THR A 74 -4.279 -3.854 -6.359 1.00 0.00 C ATOM 0 H THR A 74 -1.795 -5.099 -7.834 1.00 0.00 H new ATOM 0 HA THR A 74 -2.524 -6.722 -5.580 1.00 0.00 H new ATOM 0 HB THR A 74 -3.065 -4.460 -4.704 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.871 -5.285 -3.868 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.863 -3.146 -5.770 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.462 -3.328 -6.852 1.00 0.00 H new ATOM 0 HG23 THR A 74 -4.919 -4.316 -7.111 1.00 0.00 H new ATOM 779 N ASP A 75 -4.474 -7.632 -6.956 1.00 0.00 N ATOM 780 CA ASP A 75 -5.427 -8.267 -7.858 1.00 0.00 C ATOM 781 C ASP A 75 -6.614 -8.831 -7.083 1.00 0.00 C ATOM 782 O ASP A 75 -6.600 -9.985 -6.658 1.00 0.00 O ATOM 783 CB ASP A 75 -4.749 -9.376 -8.664 1.00 0.00 C ATOM 784 CG ASP A 75 -5.634 -10.015 -9.725 1.00 0.00 C ATOM 785 OD1 ASP A 75 -6.792 -9.674 -9.788 1.00 0.00 O ATOM 786 OD2 ASP A 75 -5.117 -10.716 -10.560 1.00 0.00 O ATOM 0 H ASP A 75 -4.407 -8.070 -6.037 1.00 0.00 H new ATOM 0 HA ASP A 75 -5.794 -7.508 -8.549 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -3.862 -8.967 -9.147 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -4.409 -10.151 -7.977 1.00 0.00 H new ATOM 791 N GLY A 76 -7.643 -8.008 -6.904 1.00 0.00 N ATOM 792 CA GLY A 76 -8.822 -8.439 -6.176 1.00 0.00 C ATOM 793 C GLY A 76 -8.515 -8.787 -4.733 1.00 0.00 C ATOM 794 O GLY A 76 -9.268 -9.521 -4.092 1.00 0.00 O ATOM 0 H GLY A 76 -7.681 -7.049 -7.251 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -9.572 -7.649 -6.205 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.255 -9.308 -6.672 1.00 0.00 H new ATOM 798 N GLU A 77 -7.408 -8.262 -4.221 1.00 0.00 N ATOM 799 CA GLU A 77 -6.952 -8.603 -2.879 1.00 0.00 C ATOM 800 C GLU A 77 -6.393 -7.373 -2.165 1.00 0.00 C ATOM 801 O GLU A 77 -6.414 -6.267 -2.705 1.00 0.00 O ATOM 802 CB GLU A 77 -5.893 -9.707 -2.936 1.00 0.00 C ATOM 803 CG GLU A 77 -6.411 -11.049 -3.432 1.00 0.00 C ATOM 804 CD GLU A 77 -5.314 -12.075 -3.480 1.00 0.00 C ATOM 805 OE1 GLU A 77 -4.218 -11.763 -3.081 1.00 0.00 O ATOM 806 OE2 GLU A 77 -5.596 -13.203 -3.808 1.00 0.00 O ATOM 0 H GLU A 77 -6.810 -7.599 -4.714 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.810 -8.969 -2.314 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.081 -9.382 -3.586 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.470 -9.840 -1.940 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.209 -11.398 -2.777 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.843 -10.929 -4.425 1.00 0.00 H new ATOM 813 N TRP A 78 -5.898 -7.577 -0.950 1.00 0.00 N ATOM 814 CA TRP A 78 -5.132 -6.547 -0.255 1.00 0.00 C ATOM 815 C TRP A 78 -3.883 -6.174 -1.045 1.00 0.00 C ATOM 816 O TRP A 78 -3.252 -7.027 -1.669 1.00 0.00 O ATOM 817 CB TRP A 78 -4.740 -7.031 1.143 1.00 0.00 C ATOM 818 CG TRP A 78 -3.670 -8.079 1.130 1.00 0.00 C ATOM 819 CD1 TRP A 78 -3.296 -8.857 0.073 1.00 0.00 C ATOM 820 CD2 TRP A 78 -2.837 -8.465 2.229 1.00 0.00 C ATOM 821 NE1 TRP A 78 -2.281 -9.704 0.447 1.00 0.00 N ATOM 822 CE2 TRP A 78 -1.979 -9.483 1.764 1.00 0.00 C ATOM 823 CE3 TRP A 78 -2.727 -8.048 3.558 1.00 0.00 C ATOM 824 CZ2 TRP A 78 -1.031 -10.088 2.584 1.00 0.00 C ATOM 825 CZ3 TRP A 78 -1.786 -8.650 4.371 1.00 0.00 C ATOM 826 CH2 TRP A 78 -0.948 -9.661 3.881 1.00 0.00 C ATOM 0 H TRP A 78 -6.012 -8.444 -0.426 1.00 0.00 H new ATOM 0 HA TRP A 78 -5.760 -5.661 -0.163 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -4.398 -6.180 1.732 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -5.623 -7.430 1.643 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -3.734 -8.813 -0.913 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -1.826 -10.387 -0.159 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -3.367 -7.268 3.943 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -0.384 -10.867 2.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -1.695 -8.337 5.400 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -0.222 -10.112 4.541 1.00 0.00 H new ATOM 837 N VAL A 79 -3.530 -4.892 -1.014 1.00 0.00 N ATOM 838 CA VAL A 79 -2.420 -4.385 -1.811 1.00 0.00 C ATOM 839 C VAL A 79 -1.081 -4.763 -1.188 1.00 0.00 C ATOM 840 O VAL A 79 -0.851 -4.542 0.000 1.00 0.00 O ATOM 841 CB VAL A 79 -2.488 -2.854 -1.969 1.00 0.00 C ATOM 842 CG1 VAL A 79 -1.297 -2.348 -2.768 1.00 0.00 C ATOM 843 CG2 VAL A 79 -3.791 -2.446 -2.639 1.00 0.00 C ATOM 0 H VAL A 79 -3.997 -4.186 -0.445 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.504 -4.844 -2.796 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.454 -2.403 -0.977 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.361 -1.265 -2.870 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.374 -2.610 -2.251 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.301 -2.806 -3.757 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.823 -1.361 -2.743 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.853 -2.907 -3.625 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.632 -2.777 -2.030 1.00 0.00 H new ATOM 853 N TRP A 80 -0.198 -5.335 -2.000 1.00 0.00 N ATOM 854 CA TRP A 80 1.067 -5.864 -1.503 1.00 0.00 C ATOM 855 C TRP A 80 2.248 -5.189 -2.192 1.00 0.00 C ATOM 856 O TRP A 80 2.116 -4.662 -3.297 1.00 0.00 O ATOM 857 CB TRP A 80 1.132 -7.379 -1.709 1.00 0.00 C ATOM 858 CG TRP A 80 1.130 -7.785 -3.152 1.00 0.00 C ATOM 859 CD1 TRP A 80 2.187 -7.753 -4.011 1.00 0.00 C ATOM 860 CD2 TRP A 80 0.017 -8.289 -3.904 1.00 0.00 C ATOM 861 NE1 TRP A 80 1.806 -8.201 -5.250 1.00 0.00 N ATOM 862 CE2 TRP A 80 0.476 -8.538 -5.209 1.00 0.00 C ATOM 863 CE3 TRP A 80 -1.322 -8.552 -3.596 1.00 0.00 C ATOM 864 CZ2 TRP A 80 -0.350 -9.034 -6.205 1.00 0.00 C ATOM 865 CZ3 TRP A 80 -2.151 -9.051 -4.594 1.00 0.00 C ATOM 866 CH2 TRP A 80 -1.679 -9.285 -5.861 1.00 0.00 C ATOM 0 H TRP A 80 -0.335 -5.444 -3.005 1.00 0.00 H new ATOM 0 HA TRP A 80 1.125 -5.651 -0.435 1.00 0.00 H new ATOM 0 HB2 TRP A 80 2.033 -7.765 -1.232 1.00 0.00 H new ATOM 0 HB3 TRP A 80 0.283 -7.843 -1.208 1.00 0.00 H new ATOM 0 HD1 TRP A 80 3.182 -7.422 -3.753 1.00 0.00 H new ATOM 0 HE1 TRP A 80 2.412 -8.272 -6.068 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -1.704 -8.371 -2.602 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 0.018 -9.218 -7.203 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -3.186 -9.259 -4.368 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -2.353 -9.673 -6.611 1.00 0.00 H new ATOM 877 N VAL A 81 3.402 -5.209 -1.533 1.00 0.00 N ATOM 878 CA VAL A 81 4.626 -4.677 -2.119 1.00 0.00 C ATOM 879 C VAL A 81 5.298 -5.705 -3.022 1.00 0.00 C ATOM 880 O VAL A 81 5.587 -6.823 -2.597 1.00 0.00 O ATOM 881 CB VAL A 81 5.624 -4.230 -1.033 1.00 0.00 C ATOM 882 CG1 VAL A 81 6.915 -3.737 -1.668 1.00 0.00 C ATOM 883 CG2 VAL A 81 5.012 -3.144 -0.161 1.00 0.00 C ATOM 0 H VAL A 81 3.515 -5.588 -0.593 1.00 0.00 H new ATOM 0 HA VAL A 81 4.338 -3.810 -2.714 1.00 0.00 H new ATOM 0 HB VAL A 81 5.855 -5.089 -0.403 1.00 0.00 H new ATOM 0 HG11 VAL A 81 7.609 -3.425 -0.887 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.363 -4.541 -2.252 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.700 -2.891 -2.321 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.731 -2.841 0.600 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.753 -2.284 -0.779 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.113 -3.528 0.321 1.00 0.00 H new ATOM 893 N GLU A 82 5.545 -5.318 -4.270 1.00 0.00 N ATOM 894 CA GLU A 82 6.298 -6.157 -5.193 1.00 0.00 C ATOM 895 C GLU A 82 7.511 -6.774 -4.501 1.00 0.00 C ATOM 896 O GLU A 82 8.244 -6.094 -3.786 1.00 0.00 O ATOM 897 CB GLU A 82 6.741 -5.347 -6.415 1.00 0.00 C ATOM 898 CG GLU A 82 7.532 -6.142 -7.443 1.00 0.00 C ATOM 899 CD GLU A 82 7.959 -5.274 -8.594 1.00 0.00 C ATOM 900 OE1 GLU A 82 7.582 -4.127 -8.620 1.00 0.00 O ATOM 901 OE2 GLU A 82 8.751 -5.723 -9.388 1.00 0.00 O ATOM 0 H GLU A 82 5.235 -4.430 -4.664 1.00 0.00 H new ATOM 0 HA GLU A 82 5.645 -6.964 -5.526 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.858 -4.929 -6.898 1.00 0.00 H new ATOM 0 HB3 GLU A 82 7.348 -4.507 -6.078 1.00 0.00 H new ATOM 0 HG2 GLU A 82 8.411 -6.580 -6.970 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.924 -6.968 -7.813 1.00 0.00 H new ATOM 908 N GLY A 83 7.712 -8.071 -4.720 1.00 0.00 N ATOM 909 CA GLY A 83 8.879 -8.741 -4.181 1.00 0.00 C ATOM 910 C GLY A 83 8.558 -9.557 -2.943 1.00 0.00 C ATOM 911 O GLY A 83 9.369 -10.372 -2.500 1.00 0.00 O ATOM 0 H GLY A 83 7.087 -8.668 -5.261 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.304 -9.394 -4.943 1.00 0.00 H new ATOM 0 HA3 GLY A 83 9.640 -8.000 -3.937 1.00 0.00 H new ATOM 915 N TYR A 84 7.374 -9.340 -2.384 1.00 0.00 N ATOM 916 CA TYR A 84 6.954 -10.049 -1.182 1.00 0.00 C ATOM 917 C TYR A 84 5.739 -10.929 -1.466 1.00 0.00 C ATOM 918 O TYR A 84 4.821 -11.017 -0.650 1.00 0.00 O ATOM 919 CB TYR A 84 6.639 -9.060 -0.059 1.00 0.00 C ATOM 920 CG TYR A 84 7.823 -8.224 0.372 1.00 0.00 C ATOM 921 CD1 TYR A 84 8.818 -8.762 1.177 1.00 0.00 C ATOM 922 CD2 TYR A 84 7.945 -6.900 -0.023 1.00 0.00 C ATOM 923 CE1 TYR A 84 9.902 -8.003 1.573 1.00 0.00 C ATOM 924 CE2 TYR A 84 9.024 -6.132 0.367 1.00 0.00 C ATOM 925 CZ TYR A 84 10.002 -6.689 1.166 1.00 0.00 C ATOM 926 OH TYR A 84 11.080 -5.929 1.560 1.00 0.00 O ATOM 0 H TYR A 84 6.687 -8.678 -2.744 1.00 0.00 H new ATOM 0 HA TYR A 84 7.776 -10.690 -0.864 1.00 0.00 H new ATOM 0 HB2 TYR A 84 5.838 -8.397 -0.386 1.00 0.00 H new ATOM 0 HB3 TYR A 84 6.263 -9.612 0.803 1.00 0.00 H new ATOM 0 HD1 TYR A 84 8.743 -9.790 1.499 1.00 0.00 H new ATOM 0 HD2 TYR A 84 7.181 -6.461 -0.648 1.00 0.00 H new ATOM 0 HE1 TYR A 84 10.668 -8.437 2.199 1.00 0.00 H new ATOM 0 HE2 TYR A 84 9.102 -5.103 0.049 1.00 0.00 H new ATOM 0 HH TYR A 84 10.998 -5.027 1.186 1.00 0.00 H new ATOM 936 N GLU A 85 5.741 -11.577 -2.626 1.00 0.00 N ATOM 937 CA GLU A 85 4.697 -12.533 -2.968 1.00 0.00 C ATOM 938 C GLU A 85 4.653 -13.678 -1.960 1.00 0.00 C ATOM 939 O GLU A 85 3.657 -14.391 -1.861 1.00 0.00 O ATOM 940 CB GLU A 85 4.911 -13.082 -4.382 1.00 0.00 C ATOM 941 CG GLU A 85 6.133 -13.980 -4.527 1.00 0.00 C ATOM 942 CD GLU A 85 7.386 -13.171 -4.713 1.00 0.00 C ATOM 943 OE1 GLU A 85 7.317 -11.970 -4.608 1.00 0.00 O ATOM 944 OE2 GLU A 85 8.434 -13.758 -4.848 1.00 0.00 O ATOM 0 H GLU A 85 6.455 -11.457 -3.345 1.00 0.00 H new ATOM 0 HA GLU A 85 3.741 -12.011 -2.936 1.00 0.00 H new ATOM 0 HB2 GLU A 85 4.025 -13.643 -4.679 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.005 -12.245 -5.074 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.232 -14.609 -3.642 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.998 -14.647 -5.379 1.00 0.00 H new ATOM 951 N GLU A 86 5.743 -13.845 -1.217 1.00 0.00 N ATOM 952 CA GLU A 86 5.783 -14.816 -0.130 1.00 0.00 C ATOM 953 C GLU A 86 4.800 -14.437 0.974 1.00 0.00 C ATOM 954 O GLU A 86 4.201 -15.304 1.611 1.00 0.00 O ATOM 955 CB GLU A 86 7.200 -14.927 0.438 1.00 0.00 C ATOM 956 CG GLU A 86 7.351 -15.953 1.552 1.00 0.00 C ATOM 957 CD GLU A 86 8.777 -16.046 2.019 1.00 0.00 C ATOM 958 OE1 GLU A 86 9.605 -15.351 1.479 1.00 0.00 O ATOM 959 OE2 GLU A 86 9.021 -16.725 2.989 1.00 0.00 O ATOM 0 H GLU A 86 6.608 -13.321 -1.348 1.00 0.00 H new ATOM 0 HA GLU A 86 5.490 -15.786 -0.532 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.884 -15.184 -0.371 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.505 -13.951 0.815 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.709 -15.681 2.390 1.00 0.00 H new ATOM 0 HG3 GLU A 86 7.017 -16.929 1.198 1.00 0.00 H new ATOM 966 N HIS A 87 4.637 -13.136 1.194 1.00 0.00 N ATOM 967 CA HIS A 87 3.881 -12.643 2.340 1.00 0.00 C ATOM 968 C HIS A 87 2.391 -12.585 2.023 1.00 0.00 C ATOM 969 O HIS A 87 1.561 -12.428 2.917 1.00 0.00 O ATOM 970 CB HIS A 87 4.382 -11.258 2.749 1.00 0.00 C ATOM 971 CG HIS A 87 5.805 -11.249 3.215 1.00 0.00 C ATOM 972 ND1 HIS A 87 6.409 -10.140 3.769 1.00 0.00 N ATOM 973 CD2 HIS A 87 6.744 -12.223 3.210 1.00 0.00 C ATOM 974 CE1 HIS A 87 7.660 -10.431 4.081 1.00 0.00 C ATOM 975 NE2 HIS A 87 7.889 -11.690 3.752 1.00 0.00 N ATOM 0 H HIS A 87 5.018 -12.405 0.594 1.00 0.00 H new ATOM 0 HA HIS A 87 4.031 -13.335 3.169 1.00 0.00 H new ATOM 0 HB2 HIS A 87 4.282 -10.580 1.902 1.00 0.00 H new ATOM 0 HB3 HIS A 87 3.745 -10.871 3.545 1.00 0.00 H new ATOM 0 HD1 HIS A 87 5.960 -9.236 3.915 1.00 0.00 H new ATOM 0 HD2 HIS A 87 6.617 -13.232 2.847 1.00 0.00 H new ATOM 0 HE1 HIS A 87 8.373 -9.755 4.529 1.00 0.00 H new ATOM 983 N ILE A 88 2.058 -12.712 0.741 1.00 0.00 N ATOM 984 CA ILE A 88 0.666 -12.714 0.310 1.00 0.00 C ATOM 985 C ILE A 88 -0.111 -13.852 0.966 1.00 0.00 C ATOM 986 O ILE A 88 0.239 -15.021 0.819 1.00 0.00 O ATOM 987 CB ILE A 88 0.549 -12.837 -1.220 1.00 0.00 C ATOM 988 CG1 ILE A 88 1.119 -11.591 -1.901 1.00 0.00 C ATOM 989 CG2 ILE A 88 -0.902 -13.052 -1.625 1.00 0.00 C ATOM 990 CD1 ILE A 88 1.168 -11.689 -3.409 1.00 0.00 C ATOM 0 H ILE A 88 2.734 -12.815 -0.016 1.00 0.00 H new ATOM 0 HA ILE A 88 0.238 -11.761 0.620 1.00 0.00 H new ATOM 0 HB ILE A 88 1.129 -13.701 -1.544 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.516 -10.727 -1.622 1.00 0.00 H new ATOM 0 HG13 ILE A 88 2.126 -11.411 -1.525 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.968 -13.137 -2.710 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.276 -13.967 -1.166 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.502 -12.206 -1.290 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.583 -10.769 -3.820 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.796 -12.532 -3.699 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.160 -11.837 -3.797 1.00 0.00 H new ATOM 1002 N GLY A 89 -1.171 -13.497 1.689 1.00 0.00 N ATOM 1003 CA GLY A 89 -1.951 -14.495 2.397 1.00 0.00 C ATOM 1004 C GLY A 89 -1.521 -14.649 3.842 1.00 0.00 C ATOM 1005 O GLY A 89 -2.133 -15.399 4.603 1.00 0.00 O ATOM 0 H GLY A 89 -1.502 -12.538 1.796 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -3.005 -14.220 2.362 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.855 -15.454 1.888 1.00 0.00 H new ATOM 1009 N LYS A 90 -0.465 -13.938 4.222 1.00 0.00 N ATOM 1010 CA LYS A 90 0.041 -13.990 5.588 1.00 0.00 C ATOM 1011 C LYS A 90 -0.129 -12.641 6.281 1.00 0.00 C ATOM 1012 O LYS A 90 0.550 -11.672 5.947 1.00 0.00 O ATOM 1013 CB LYS A 90 1.511 -14.410 5.605 1.00 0.00 C ATOM 1014 CG LYS A 90 1.743 -15.895 5.351 1.00 0.00 C ATOM 1015 CD LYS A 90 2.104 -16.158 3.898 1.00 0.00 C ATOM 1016 CE LYS A 90 1.859 -17.611 3.521 1.00 0.00 C ATOM 1017 NZ LYS A 90 2.698 -18.544 4.320 1.00 0.00 N ATOM 0 H LYS A 90 0.057 -13.319 3.602 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.540 -14.734 6.133 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.049 -13.836 4.851 1.00 0.00 H new ATOM 0 HB3 LYS A 90 1.940 -14.147 6.572 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.543 -16.256 5.998 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.845 -16.455 5.612 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.514 -15.508 3.251 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.152 -15.909 3.731 1.00 0.00 H new ATOM 0 HE2 LYS A 90 0.806 -17.852 3.671 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.070 -17.751 2.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.550 -19.517 3.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.700 -18.289 4.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.431 -18.479 5.323 1.00 0.00 H new ATOM 1031 N GLN A 91 -1.040 -12.588 7.248 1.00 0.00 N ATOM 1032 CA GLN A 91 -1.278 -11.364 8.004 1.00 0.00 C ATOM 1033 C GLN A 91 -0.540 -11.397 9.338 1.00 0.00 C ATOM 1034 O GLN A 91 -0.929 -12.116 10.259 1.00 0.00 O ATOM 1035 CB GLN A 91 -2.778 -11.165 8.247 1.00 0.00 C ATOM 1036 CG GLN A 91 -3.126 -9.871 8.961 1.00 0.00 C ATOM 1037 CD GLN A 91 -4.624 -9.671 9.099 1.00 0.00 C ATOM 1038 OE1 GLN A 91 -5.419 -10.421 8.526 1.00 0.00 O ATOM 1039 NE2 GLN A 91 -5.017 -8.655 9.858 1.00 0.00 N ATOM 0 H GLN A 91 -1.624 -13.377 7.526 1.00 0.00 H new ATOM 0 HA GLN A 91 -0.899 -10.528 7.416 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -3.296 -11.189 7.288 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -3.154 -12.003 8.834 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -2.670 -9.871 9.951 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -2.699 -9.031 8.413 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -4.324 -8.060 10.313 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -6.012 -8.469 9.986 1.00 0.00 H new ATOM 1048 N LEU A 92 0.528 -10.613 9.436 1.00 0.00 N ATOM 1049 CA LEU A 92 1.354 -10.591 10.638 1.00 0.00 C ATOM 1050 C LEU A 92 1.132 -9.303 11.427 1.00 0.00 C ATOM 1051 O LEU A 92 0.709 -8.281 10.888 1.00 0.00 O ATOM 1052 CB LEU A 92 2.832 -10.725 10.267 1.00 0.00 C ATOM 1053 CG LEU A 92 3.243 -12.046 9.615 1.00 0.00 C ATOM 1054 CD1 LEU A 92 3.237 -11.916 8.099 1.00 0.00 C ATOM 1055 CD2 LEU A 92 4.613 -12.484 10.109 1.00 0.00 C ATOM 0 H LEU A 92 0.842 -9.984 8.697 1.00 0.00 H new ATOM 0 HA LEU A 92 1.064 -11.435 11.264 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.091 -9.912 9.589 1.00 0.00 H new ATOM 0 HB3 LEU A 92 3.427 -10.588 11.170 1.00 0.00 H new ATOM 0 HG LEU A 92 2.518 -12.809 9.898 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.532 -12.865 7.651 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.235 -11.651 7.761 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.939 -11.139 7.798 1.00 0.00 H new ATOM 0 HD21 LEU A 92 4.887 -13.426 9.633 1.00 0.00 H new ATOM 0 HD22 LEU A 92 5.351 -11.722 9.858 1.00 0.00 H new ATOM 0 HD23 LEU A 92 4.584 -12.619 11.190 1.00 0.00 H new ATOM 1067 N PRO A 93 1.424 -9.354 12.735 1.00 0.00 N ATOM 1068 CA PRO A 93 1.308 -8.189 13.617 1.00 0.00 C ATOM 1069 C PRO A 93 2.460 -7.209 13.437 1.00 0.00 C ATOM 1070 O PRO A 93 3.244 -6.979 14.360 1.00 0.00 O ATOM 1071 CB PRO A 93 1.341 -8.801 15.019 1.00 0.00 C ATOM 1072 CG PRO A 93 2.179 -10.026 14.879 1.00 0.00 C ATOM 1073 CD PRO A 93 1.873 -10.582 13.515 1.00 0.00 C ATOM 0 HA PRO A 93 0.408 -7.610 13.411 1.00 0.00 H new ATOM 0 HB2 PRO A 93 1.770 -8.109 15.743 1.00 0.00 H new ATOM 0 HB3 PRO A 93 0.338 -9.046 15.368 1.00 0.00 H new ATOM 0 HG2 PRO A 93 3.238 -9.788 14.975 1.00 0.00 H new ATOM 0 HG3 PRO A 93 1.944 -10.751 15.658 1.00 0.00 H new ATOM 0 HD2 PRO A 93 2.749 -11.048 13.064 1.00 0.00 H new ATOM 0 HD3 PRO A 93 1.093 -11.342 13.555 1.00 0.00 H new ATOM 1081 N LEU A 94 2.559 -6.630 12.244 1.00 0.00 N ATOM 1082 CA LEU A 94 3.606 -5.658 11.950 1.00 0.00 C ATOM 1083 C LEU A 94 4.988 -6.262 12.176 1.00 0.00 C ATOM 1084 O LEU A 94 5.940 -5.551 12.498 1.00 0.00 O ATOM 1085 CB LEU A 94 3.423 -4.402 12.811 1.00 0.00 C ATOM 1086 CG LEU A 94 2.051 -3.725 12.693 1.00 0.00 C ATOM 1087 CD1 LEU A 94 1.981 -2.522 13.623 1.00 0.00 C ATOM 1088 CD2 LEU A 94 1.814 -3.304 11.249 1.00 0.00 C ATOM 0 H LEU A 94 1.927 -6.817 11.466 1.00 0.00 H new ATOM 0 HA LEU A 94 3.526 -5.377 10.900 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.591 -4.668 13.855 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.192 -3.679 12.539 1.00 0.00 H new ATOM 0 HG LEU A 94 1.272 -4.429 12.986 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.004 -2.048 13.532 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.132 -2.848 14.652 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.758 -1.807 13.352 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.839 -2.823 11.165 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.591 -2.604 10.942 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.841 -4.183 10.605 1.00 0.00 H new ATOM 1100 N ASN A 95 5.091 -7.575 12.005 1.00 0.00 N ATOM 1101 CA ASN A 95 6.385 -8.249 12.025 1.00 0.00 C ATOM 1102 C ASN A 95 7.002 -8.281 10.629 1.00 0.00 C ATOM 1103 O ASN A 95 8.107 -7.779 10.417 1.00 0.00 O ATOM 1104 CB ASN A 95 6.269 -9.656 12.582 1.00 0.00 C ATOM 1105 CG ASN A 95 6.007 -9.700 14.062 1.00 0.00 C ATOM 1106 OD1 ASN A 95 6.253 -8.728 14.787 1.00 0.00 O ATOM 1107 ND2 ASN A 95 5.588 -10.850 14.527 1.00 0.00 N ATOM 0 H ASN A 95 4.295 -8.194 11.851 1.00 0.00 H new ATOM 0 HA ASN A 95 7.041 -7.679 12.683 1.00 0.00 H new ATOM 0 HB2 ASN A 95 5.464 -10.177 12.064 1.00 0.00 H new ATOM 0 HB3 ASN A 95 7.190 -10.199 12.369 1.00 0.00 H new ATOM 0 HD21 ASN A 95 5.450 -10.975 15.530 1.00 0.00 H new ATOM 0 HD22 ASN A 95 5.399 -11.621 13.886 1.00 0.00 H new ATOM 1114 N GLN A 96 6.283 -8.874 9.682 1.00 0.00 N ATOM 1115 CA GLN A 96 6.720 -8.895 8.291 1.00 0.00 C ATOM 1116 C GLN A 96 5.653 -8.308 7.375 1.00 0.00 C ATOM 1117 O GLN A 96 5.579 -8.645 6.193 1.00 0.00 O ATOM 1118 CB GLN A 96 7.049 -10.325 7.854 1.00 0.00 C ATOM 1119 CG GLN A 96 8.214 -10.952 8.600 1.00 0.00 C ATOM 1120 CD GLN A 96 9.533 -10.267 8.298 1.00 0.00 C ATOM 1121 OE1 GLN A 96 9.905 -10.093 7.134 1.00 0.00 O ATOM 1122 NE2 GLN A 96 10.250 -9.876 9.345 1.00 0.00 N ATOM 0 H GLN A 96 5.395 -9.346 9.852 1.00 0.00 H new ATOM 0 HA GLN A 96 7.619 -8.283 8.214 1.00 0.00 H new ATOM 0 HB2 GLN A 96 6.165 -10.948 7.994 1.00 0.00 H new ATOM 0 HB3 GLN A 96 7.273 -10.324 6.787 1.00 0.00 H new ATOM 0 HG2 GLN A 96 8.022 -10.906 9.672 1.00 0.00 H new ATOM 0 HG3 GLN A 96 8.287 -12.006 8.334 1.00 0.00 H new ATOM 0 HE21 GLN A 96 9.904 -10.040 10.290 1.00 0.00 H new ATOM 0 HE22 GLN A 96 11.147 -9.411 9.204 1.00 0.00 H new ATOM 1131 N ALA A 97 4.825 -7.426 7.927 1.00 0.00 N ATOM 1132 CA ALA A 97 3.726 -6.833 7.176 1.00 0.00 C ATOM 1133 C ALA A 97 4.245 -6.037 5.983 1.00 0.00 C ATOM 1134 O ALA A 97 4.984 -5.065 6.146 1.00 0.00 O ATOM 1135 CB ALA A 97 2.886 -5.946 8.081 1.00 0.00 C ATOM 0 H ALA A 97 4.895 -7.107 8.893 1.00 0.00 H new ATOM 0 HA ALA A 97 3.100 -7.640 6.796 1.00 0.00 H new ATOM 0 HB1 ALA A 97 2.069 -5.510 7.506 1.00 0.00 H new ATOM 0 HB2 ALA A 97 2.478 -6.542 8.897 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.508 -5.149 8.489 1.00 0.00 H new ATOM 1141 N ARG A 98 3.852 -6.454 4.784 1.00 0.00 N ATOM 1142 CA ARG A 98 4.223 -5.741 3.568 1.00 0.00 C ATOM 1143 C ARG A 98 3.022 -5.585 2.640 1.00 0.00 C ATOM 1144 O ARG A 98 3.154 -5.668 1.418 1.00 0.00 O ATOM 1145 CB ARG A 98 5.399 -6.392 2.856 1.00 0.00 C ATOM 1146 CG ARG A 98 6.673 -6.489 3.680 1.00 0.00 C ATOM 1147 CD ARG A 98 7.341 -5.184 3.930 1.00 0.00 C ATOM 1148 NE ARG A 98 8.628 -5.286 4.599 1.00 0.00 N ATOM 1149 CZ ARG A 98 8.795 -5.326 5.935 1.00 0.00 C ATOM 1150 NH1 ARG A 98 7.766 -5.238 6.749 1.00 0.00 N ATOM 1151 NH2 ARG A 98 10.024 -5.434 6.408 1.00 0.00 N ATOM 0 H ARG A 98 3.277 -7.282 4.629 1.00 0.00 H new ATOM 0 HA ARG A 98 4.551 -4.745 3.864 1.00 0.00 H new ATOM 0 HB2 ARG A 98 5.107 -7.395 2.546 1.00 0.00 H new ATOM 0 HB3 ARG A 98 5.613 -5.828 1.948 1.00 0.00 H new ATOM 0 HG2 ARG A 98 6.438 -6.953 4.638 1.00 0.00 H new ATOM 0 HG3 ARG A 98 7.373 -7.150 3.169 1.00 0.00 H new ATOM 0 HD2 ARG A 98 7.480 -4.673 2.978 1.00 0.00 H new ATOM 0 HD3 ARG A 98 6.680 -4.561 4.533 1.00 0.00 H new ATOM 0 HE ARG A 98 9.463 -5.330 4.015 1.00 0.00 H new ATOM 0 HH11 ARG A 98 6.824 -5.138 6.371 1.00 0.00 H new ATOM 0 HH12 ARG A 98 7.910 -5.270 7.758 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.815 -5.485 5.766 1.00 0.00 H new ATOM 0 HH22 ARG A 98 10.182 -5.467 7.415 1.00 0.00 H new ATOM 1165 N ALA A 99 1.852 -5.359 3.227 1.00 0.00 N ATOM 1166 CA ALA A 99 0.610 -5.316 2.466 1.00 0.00 C ATOM 1167 C ALA A 99 -0.511 -4.678 3.281 1.00 0.00 C ATOM 1168 O ALA A 99 -0.524 -4.761 4.509 1.00 0.00 O ATOM 1169 CB ALA A 99 0.213 -6.719 2.028 1.00 0.00 C ATOM 0 H ALA A 99 1.738 -5.203 4.228 1.00 0.00 H new ATOM 0 HA ALA A 99 0.775 -4.702 1.581 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -0.716 -6.674 1.460 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.000 -7.141 1.403 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.071 -7.348 2.907 1.00 0.00 H new ATOM 1175 N TRP A 100 -1.447 -4.041 2.589 1.00 0.00 N ATOM 1176 CA TRP A 100 -2.593 -3.418 3.245 1.00 0.00 C ATOM 1177 C TRP A 100 -3.873 -3.663 2.456 1.00 0.00 C ATOM 1178 O TRP A 100 -3.873 -3.612 1.226 1.00 0.00 O ATOM 1179 CB TRP A 100 -2.359 -1.917 3.418 1.00 0.00 C ATOM 1180 CG TRP A 100 -1.071 -1.587 4.110 1.00 0.00 C ATOM 1181 CD1 TRP A 100 -0.906 -1.306 5.434 1.00 0.00 C ATOM 1182 CD2 TRP A 100 0.230 -1.503 3.516 1.00 0.00 C ATOM 1183 NE1 TRP A 100 0.416 -1.052 5.702 1.00 0.00 N ATOM 1184 CE2 TRP A 100 1.135 -1.168 4.540 1.00 0.00 C ATOM 1185 CE3 TRP A 100 0.717 -1.680 2.215 1.00 0.00 C ATOM 1186 CZ2 TRP A 100 2.491 -1.005 4.307 1.00 0.00 C ATOM 1187 CZ3 TRP A 100 2.077 -1.518 1.983 1.00 0.00 C ATOM 1188 CH2 TRP A 100 2.939 -1.191 2.999 1.00 0.00 C ATOM 0 H TRP A 100 -1.437 -3.941 1.574 1.00 0.00 H new ATOM 0 HA TRP A 100 -2.706 -3.872 4.229 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -2.367 -1.441 2.437 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -3.186 -1.492 3.986 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -1.700 -1.286 6.166 1.00 0.00 H new ATOM 0 HE1 TRP A 100 0.801 -0.815 6.616 1.00 0.00 H new ATOM 0 HE3 TRP A 100 0.048 -1.938 1.407 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 3.172 -0.745 5.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 2.463 -1.652 0.983 1.00 0.00 H new ATOM 0 HH2 TRP A 100 3.990 -1.075 2.781 1.00 0.00 H new ATOM 1199 N SER A 101 -4.962 -3.929 3.170 1.00 0.00 N ATOM 1200 CA SER A 101 -6.206 -4.355 2.538 1.00 0.00 C ATOM 1201 C SER A 101 -6.921 -3.171 1.896 1.00 0.00 C ATOM 1202 O SER A 101 -6.796 -2.035 2.352 1.00 0.00 O ATOM 1203 CB SER A 101 -7.105 -5.031 3.555 1.00 0.00 C ATOM 1204 OG SER A 101 -7.559 -4.137 4.533 1.00 0.00 O ATOM 0 H SER A 101 -5.008 -3.857 4.186 1.00 0.00 H new ATOM 0 HA SER A 101 -5.965 -5.071 1.752 1.00 0.00 H new ATOM 0 HB2 SER A 101 -7.960 -5.474 3.045 1.00 0.00 H new ATOM 0 HB3 SER A 101 -6.562 -5.846 4.033 1.00 0.00 H new ATOM 0 HG SER A 101 -8.136 -4.611 5.167 1.00 0.00 H new ATOM 1210 N TRP A 102 -7.674 -3.447 0.837 1.00 0.00 N ATOM 1211 CA TRP A 102 -8.557 -2.447 0.245 1.00 0.00 C ATOM 1212 C TRP A 102 -9.598 -1.976 1.253 1.00 0.00 C ATOM 1213 O TRP A 102 -10.050 -0.832 1.202 1.00 0.00 O ATOM 1214 CB TRP A 102 -9.248 -3.017 -0.994 1.00 0.00 C ATOM 1215 CG TRP A 102 -8.466 -2.814 -2.257 1.00 0.00 C ATOM 1216 CD1 TRP A 102 -7.966 -3.786 -3.076 1.00 0.00 C ATOM 1217 CD2 TRP A 102 -8.094 -1.563 -2.843 1.00 0.00 C ATOM 1218 NE1 TRP A 102 -7.305 -3.213 -4.135 1.00 0.00 N ATOM 1219 CE2 TRP A 102 -7.371 -1.849 -4.017 1.00 0.00 C ATOM 1220 CE3 TRP A 102 -8.303 -0.226 -2.491 1.00 0.00 C ATOM 1221 CZ2 TRP A 102 -6.855 -0.849 -4.837 1.00 0.00 C ATOM 1222 CZ3 TRP A 102 -7.792 0.765 -3.306 1.00 0.00 C ATOM 1223 CH2 TRP A 102 -7.075 0.450 -4.469 1.00 0.00 C ATOM 0 H TRP A 102 -7.691 -4.354 0.371 1.00 0.00 H new ATOM 0 HA TRP A 102 -7.950 -1.590 -0.049 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -9.418 -4.084 -0.848 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -10.227 -2.550 -1.102 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -8.074 -4.848 -2.915 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -6.840 -3.721 -4.888 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -8.854 0.027 -1.598 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -6.301 -1.090 -5.732 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -7.947 1.801 -3.043 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -6.689 1.248 -5.086 1.00 0.00 H new ATOM 1234 N GLU A 103 -9.976 -2.865 2.166 1.00 0.00 N ATOM 1235 CA GLU A 103 -10.923 -2.521 3.220 1.00 0.00 C ATOM 1236 C GLU A 103 -10.323 -1.496 4.178 1.00 0.00 C ATOM 1237 O GLU A 103 -11.009 -0.581 4.636 1.00 0.00 O ATOM 1238 CB GLU A 103 -11.352 -3.773 3.988 1.00 0.00 C ATOM 1239 CG GLU A 103 -12.236 -4.725 3.195 1.00 0.00 C ATOM 1240 CD GLU A 103 -12.527 -5.977 3.974 1.00 0.00 C ATOM 1241 OE1 GLU A 103 -12.005 -6.118 5.053 1.00 0.00 O ATOM 1242 OE2 GLU A 103 -13.360 -6.741 3.544 1.00 0.00 O ATOM 0 H GLU A 103 -9.641 -3.828 2.197 1.00 0.00 H new ATOM 0 HA GLU A 103 -11.802 -2.080 2.751 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -10.460 -4.309 4.312 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -11.884 -3.467 4.889 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -13.172 -4.228 2.939 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -11.745 -4.984 2.257 1.00 0.00 H new ATOM 1249 N PHE A 104 -9.038 -1.656 4.477 1.00 0.00 N ATOM 1250 CA PHE A 104 -8.310 -0.675 5.274 1.00 0.00 C ATOM 1251 C PHE A 104 -8.234 0.666 4.548 1.00 0.00 C ATOM 1252 O PHE A 104 -8.462 1.719 5.144 1.00 0.00 O ATOM 1253 CB PHE A 104 -6.905 -1.183 5.596 1.00 0.00 C ATOM 1254 CG PHE A 104 -6.084 -0.222 6.410 1.00 0.00 C ATOM 1255 CD1 PHE A 104 -6.245 -0.143 7.784 1.00 0.00 C ATOM 1256 CD2 PHE A 104 -5.153 0.605 5.801 1.00 0.00 C ATOM 1257 CE1 PHE A 104 -5.491 0.741 8.534 1.00 0.00 C ATOM 1258 CE2 PHE A 104 -4.397 1.488 6.546 1.00 0.00 C ATOM 1259 CZ PHE A 104 -4.566 1.556 7.915 1.00 0.00 C ATOM 0 H PHE A 104 -8.479 -2.456 4.179 1.00 0.00 H new ATOM 0 HA PHE A 104 -8.851 -0.529 6.209 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -6.985 -2.126 6.136 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -6.382 -1.393 4.663 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -6.967 -0.779 8.275 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -5.017 0.558 4.731 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -5.626 0.793 9.604 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -3.674 2.125 6.059 1.00 0.00 H new ATOM 0 HZ PHE A 104 -3.975 2.246 8.500 1.00 0.00 H new ATOM 1269 N ILE A 105 -7.913 0.617 3.260 1.00 0.00 N ATOM 1270 CA ILE A 105 -7.849 1.822 2.443 1.00 0.00 C ATOM 1271 C ILE A 105 -9.193 2.539 2.415 1.00 0.00 C ATOM 1272 O ILE A 105 -9.260 3.762 2.541 1.00 0.00 O ATOM 1273 CB ILE A 105 -7.414 1.504 1.001 1.00 0.00 C ATOM 1274 CG1 ILE A 105 -5.961 1.027 0.974 1.00 0.00 C ATOM 1275 CG2 ILE A 105 -7.595 2.724 0.110 1.00 0.00 C ATOM 1276 CD1 ILE A 105 -5.542 0.415 -0.344 1.00 0.00 C ATOM 0 H ILE A 105 -7.693 -0.244 2.760 1.00 0.00 H new ATOM 0 HA ILE A 105 -7.104 2.474 2.900 1.00 0.00 H new ATOM 0 HB ILE A 105 -8.045 0.702 0.617 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -5.308 1.871 1.196 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -5.815 0.294 1.767 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -7.283 2.482 -0.906 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -8.644 3.020 0.107 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.988 3.546 0.490 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.500 0.101 -0.285 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.169 -0.450 -0.559 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.654 1.152 -1.139 1.00 0.00 H new ATOM 1288 N LYS A 106 -10.264 1.771 2.250 1.00 0.00 N ATOM 1289 CA LYS A 106 -11.607 2.334 2.174 1.00 0.00 C ATOM 1290 C LYS A 106 -11.998 2.985 3.497 1.00 0.00 C ATOM 1291 O LYS A 106 -12.658 4.023 3.518 1.00 0.00 O ATOM 1292 CB LYS A 106 -12.622 1.254 1.797 1.00 0.00 C ATOM 1293 CG LYS A 106 -12.568 0.823 0.336 1.00 0.00 C ATOM 1294 CD LYS A 106 -13.465 -0.379 0.080 1.00 0.00 C ATOM 1295 CE LYS A 106 -14.934 -0.016 0.229 1.00 0.00 C ATOM 1296 NZ LYS A 106 -15.826 -1.170 -0.073 1.00 0.00 N ATOM 0 H LYS A 106 -10.228 0.755 2.166 1.00 0.00 H new ATOM 0 HA LYS A 106 -11.608 3.101 1.399 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -12.456 0.380 2.427 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.624 1.621 2.018 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -12.876 1.652 -0.301 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -11.541 0.577 0.065 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -13.284 -0.763 -0.924 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -13.213 -1.178 0.777 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -15.121 0.331 1.245 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -15.173 0.812 -0.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -16.818 -0.881 0.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -15.667 -1.485 -1.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -15.616 -1.951 0.581 1.00 0.00 H new ATOM 1310 N ASN A 107 -11.583 2.369 4.600 1.00 0.00 N ATOM 1311 CA ASN A 107 -11.876 2.898 5.927 1.00 0.00 C ATOM 1312 C ASN A 107 -11.250 4.278 6.113 1.00 0.00 C ATOM 1313 O ASN A 107 -11.864 5.178 6.687 1.00 0.00 O ATOM 1314 CB ASN A 107 -11.407 1.955 7.019 1.00 0.00 C ATOM 1315 CG ASN A 107 -12.279 0.740 7.185 1.00 0.00 C ATOM 1316 OD1 ASN A 107 -13.441 0.723 6.763 1.00 0.00 O ATOM 1317 ND2 ASN A 107 -11.751 -0.244 7.868 1.00 0.00 N ATOM 0 H ASN A 107 -11.043 1.504 4.601 1.00 0.00 H new ATOM 0 HA ASN A 107 -12.959 2.993 6.007 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -10.390 1.633 6.797 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -11.371 2.497 7.964 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -12.304 -1.076 8.075 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -10.786 -0.179 8.193 1.00 0.00 H new ATOM 1324 N ARG A 108 -10.025 4.436 5.623 1.00 0.00 N ATOM 1325 CA ARG A 108 -9.311 5.701 5.744 1.00 0.00 C ATOM 1326 C ARG A 108 -9.901 6.751 4.807 1.00 0.00 C ATOM 1327 O ARG A 108 -9.942 7.939 5.132 1.00 0.00 O ATOM 1328 CB ARG A 108 -7.813 5.539 5.532 1.00 0.00 C ATOM 1329 CG ARG A 108 -7.107 4.690 6.578 1.00 0.00 C ATOM 1330 CD ARG A 108 -7.125 5.264 7.947 1.00 0.00 C ATOM 1331 NE ARG A 108 -6.377 4.500 8.931 1.00 0.00 N ATOM 1332 CZ ARG A 108 -6.380 4.746 10.256 1.00 0.00 C ATOM 1333 NH1 ARG A 108 -7.059 5.755 10.755 1.00 0.00 N ATOM 1334 NH2 ARG A 108 -5.662 3.959 11.039 1.00 0.00 N ATOM 0 H ARG A 108 -9.506 3.704 5.138 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.443 6.051 6.768 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -7.645 5.095 4.551 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -7.354 6.527 5.517 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -7.573 3.705 6.604 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -6.071 4.545 6.272 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -6.722 6.276 7.908 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -8.160 5.346 8.279 1.00 0.00 H new ATOM 0 HE ARG A 108 -5.809 3.722 8.595 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -7.594 6.365 10.137 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -7.051 5.928 11.760 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -5.126 3.191 10.636 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -5.644 4.120 12.046 1.00 0.00 H new ATOM 1348 N LEU A 109 -10.358 6.306 3.642 1.00 0.00 N ATOM 1349 CA LEU A 109 -11.044 7.185 2.702 1.00 0.00 C ATOM 1350 C LEU A 109 -12.365 7.677 3.282 1.00 0.00 C ATOM 1351 O LEU A 109 -12.769 8.819 3.058 1.00 0.00 O ATOM 1352 CB LEU A 109 -11.281 6.460 1.371 1.00 0.00 C ATOM 1353 CG LEU A 109 -10.019 6.194 0.540 1.00 0.00 C ATOM 1354 CD1 LEU A 109 -10.352 5.284 -0.635 1.00 0.00 C ATOM 1355 CD2 LEU A 109 -9.442 7.515 0.053 1.00 0.00 C ATOM 0 H LEU A 109 -10.266 5.341 3.326 1.00 0.00 H new ATOM 0 HA LEU A 109 -10.409 8.052 2.521 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -11.769 5.507 1.576 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -11.974 7.051 0.772 1.00 0.00 H new ATOM 0 HG LEU A 109 -9.274 5.694 1.159 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -9.451 5.100 -1.220 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -10.742 4.337 -0.262 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -11.102 5.763 -1.265 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -8.546 7.325 -0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -10.180 8.029 -0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -9.187 8.139 0.910 1.00 0.00 H new ATOM 1367 N LYS A 110 -13.036 6.809 4.032 1.00 0.00 N ATOM 1368 CA LYS A 110 -14.266 7.181 4.722 1.00 0.00 C ATOM 1369 C LYS A 110 -13.984 8.188 5.830 1.00 0.00 C ATOM 1370 O LYS A 110 -14.799 9.068 6.105 1.00 0.00 O ATOM 1371 CB LYS A 110 -14.958 5.943 5.293 1.00 0.00 C ATOM 1372 CG LYS A 110 -15.620 5.053 4.250 1.00 0.00 C ATOM 1373 CD LYS A 110 -16.171 3.781 4.878 1.00 0.00 C ATOM 1374 CE LYS A 110 -16.877 2.915 3.844 1.00 0.00 C ATOM 1375 NZ LYS A 110 -17.432 1.673 4.447 1.00 0.00 N ATOM 0 H LYS A 110 -12.748 5.841 4.178 1.00 0.00 H new ATOM 0 HA LYS A 110 -14.932 7.648 3.996 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -14.224 5.353 5.843 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -15.713 6.263 6.011 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -16.427 5.599 3.762 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -14.896 4.795 3.477 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -15.358 3.216 5.334 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -16.867 4.039 5.676 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -17.682 3.485 3.382 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -16.177 2.652 3.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -17.905 1.111 3.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -16.660 1.116 4.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -18.119 1.923 5.186 1.00 0.00 H new ATOM 1389 N GLU A 111 -12.825 8.053 6.466 1.00 0.00 N ATOM 1390 CA GLU A 111 -12.403 9.000 7.492 1.00 0.00 C ATOM 1391 C GLU A 111 -12.037 10.346 6.872 1.00 0.00 C ATOM 1392 O GLU A 111 -12.194 11.395 7.501 1.00 0.00 O ATOM 1393 CB GLU A 111 -11.216 8.442 8.281 1.00 0.00 C ATOM 1394 CG GLU A 111 -11.571 7.306 9.229 1.00 0.00 C ATOM 1395 CD GLU A 111 -10.348 6.767 9.919 1.00 0.00 C ATOM 1396 OE1 GLU A 111 -9.271 7.228 9.624 1.00 0.00 O ATOM 1397 OE2 GLU A 111 -10.498 5.977 10.821 1.00 0.00 O ATOM 0 H GLU A 111 -12.162 7.298 6.289 1.00 0.00 H new ATOM 0 HA GLU A 111 -13.238 9.152 8.176 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -10.461 8.090 7.578 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.764 9.251 8.855 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -12.284 7.660 9.973 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -12.060 6.506 8.674 1.00 0.00 H new ATOM 1404 N LEU A 112 -11.548 10.310 5.638 1.00 0.00 N ATOM 1405 CA LEU A 112 -11.287 11.530 4.883 1.00 0.00 C ATOM 1406 C LEU A 112 -12.591 12.193 4.450 1.00 0.00 C ATOM 1407 O LEU A 112 -12.693 13.417 4.409 1.00 0.00 O ATOM 1408 CB LEU A 112 -10.412 11.222 3.660 1.00 0.00 C ATOM 1409 CG LEU A 112 -8.975 10.790 3.979 1.00 0.00 C ATOM 1410 CD1 LEU A 112 -8.256 10.382 2.701 1.00 0.00 C ATOM 1411 CD2 LEU A 112 -8.242 11.930 4.671 1.00 0.00 C ATOM 0 H LEU A 112 -11.324 9.449 5.139 1.00 0.00 H new ATOM 0 HA LEU A 112 -10.753 12.224 5.531 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -10.891 10.434 3.079 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -10.376 12.108 3.026 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.995 9.930 4.648 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -7.237 10.077 2.938 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -8.785 9.550 2.236 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.231 11.226 2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -7.221 11.622 4.897 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.222 12.801 4.015 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.758 12.185 5.597 1.00 0.00 H new ATOM 1423 N ASN A 113 -13.587 11.372 4.129 1.00 0.00 N ATOM 1424 CA ASN A 113 -14.916 11.876 3.798 1.00 0.00 C ATOM 1425 C ASN A 113 -15.583 12.495 5.021 1.00 0.00 C ATOM 1426 O ASN A 113 -16.300 13.492 4.914 1.00 0.00 O ATOM 1427 CB ASN A 113 -15.795 10.787 3.213 1.00 0.00 C ATOM 1428 CG ASN A 113 -15.419 10.392 1.811 1.00 0.00 C ATOM 1429 OD1 ASN A 113 -14.760 11.149 1.087 1.00 0.00 O ATOM 1430 ND2 ASN A 113 -15.902 9.249 1.397 1.00 0.00 N ATOM 0 H ASN A 113 -13.499 10.356 4.091 1.00 0.00 H new ATOM 0 HA ASN A 113 -14.791 12.650 3.041 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -15.743 9.907 3.855 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -16.831 11.126 3.220 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -15.741 8.945 0.437 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -16.439 8.661 2.035 1.00 0.00 H new ATOM 1437 N LEU A 114 -15.342 11.900 6.185 1.00 0.00 N ATOM 1438 CA LEU A 114 -15.898 12.410 7.433 1.00 0.00 C ATOM 1439 C LEU A 114 -15.063 13.567 7.969 1.00 0.00 C ATOM 1440 O LEU A 114 -13.962 13.830 7.483 1.00 0.00 O ATOM 1441 CB LEU A 114 -15.985 11.286 8.474 1.00 0.00 C ATOM 1442 CG LEU A 114 -16.958 10.152 8.129 1.00 0.00 C ATOM 1443 CD1 LEU A 114 -16.844 9.035 9.158 1.00 0.00 C ATOM 1444 CD2 LEU A 114 -18.378 10.697 8.082 1.00 0.00 C ATOM 1445 OXT LEU A 114 -15.475 14.236 8.877 1.00 0.00 O ATOM 0 H LEU A 114 -14.766 11.065 6.290 1.00 0.00 H new ATOM 0 HA LEU A 114 -16.903 12.782 7.232 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -14.991 10.861 8.611 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -16.281 11.719 9.429 1.00 0.00 H new ATOM 0 HG LEU A 114 -16.706 9.742 7.151 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -17.539 8.234 8.904 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -15.826 8.645 9.160 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -17.085 9.425 10.147 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -19.069 9.891 7.837 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -18.639 11.116 9.054 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -18.444 11.475 7.322 1.00 0.00 H new TER 1457 LEU A 114