USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 842 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 58 ASN : amide:sc= -1.35 K(o=2,f=-3.2!) USER MOD Set 1.2: A 59 THR OG1 : rot -22:sc= 1.74 USER MOD Set 1.3: A 72 TYR OH : rot 30:sc= 0.303 USER MOD Set 1.4: A 74 LYS NZ :NH3+ 156:sc= 1.28 (180deg=-1.04) USER MOD Set 2.1: A 54 HIS : no HD1:sc= -0.368 K(o=-0.71,f=0.15) USER MOD Set 2.2: A 55 SER OG : rot 180:sc= -0.342 USER MOD Set 3.1: A 46 MET CE :methyl 140:sc= -0.847 (180deg=-2.49!) USER MOD Set 3.2: A 91 SER OG : rot -110:sc= -0.849 USER MOD Set 4.1: A 28 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 30 TYR OH : rot -113:sc= 0.173 USER MOD Set 4.3: A 40 SER OG : rot 105:sc= 0.596 USER MOD Set 4.4: A 43 SER OG : rot 180:sc= 0.56 USER MOD Set 5.1: A 9 THR OG1 : rot -171:sc= 1.11 USER MOD Set 5.2: A 13 THR OG1 : rot 125:sc= 1.27 USER MOD Single : A 1 MET CE :methyl -173:sc= 0 (180deg=-0.0843) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 169:sc= 0.2 (180deg=0.123) USER MOD Single : A -3 SER OG : rot 180:sc= 0 USER MOD Single : A -7 GLY N :NH3+ -114:sc= 0.0809 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.274 K(o=-0.27,f=-1.2) USER MOD Single : A 24 ASN : amide:sc= -0.148 K(o=-0.15,f=-1.1) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0.0569 USER MOD Single : A 33 GLN : amide:sc= 0.283 X(o=0.28,f=0) USER MOD Single : A 37 CYS SG : rot -30:sc= 0.0125 USER MOD Single : A 38 LYS NZ :NH3+ 167:sc= 0.408 (180deg=0.137) USER MOD Single : A 41 LYS NZ :NH3+ -148:sc= 1.33 (180deg=1.21) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 160:sc= -1.55! USER MOD Single : A 52 LYS NZ :NH3+ -138:sc= 2.32 (180deg=1.77) USER MOD Single : A 61 MET CE :methyl 170:sc= -0.112 (180deg=-0.243) USER MOD Single : A 69 GLN : amide:sc= -0.0102 K(o=-0.01,f=-0.91) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 MET CE :methyl -129:sc= -1.16 (180deg=-4.23!) USER MOD Single : A 77 ASN : amide:sc= -2.33! C(o=-2.3!,f=-8.1!) USER MOD Single : A 82 GLN : amide:sc= -0.0151 X(o=-0.015,f=-0.074) USER MOD Single : A 90 SER OG : rot -150:sc=-0.00267 USER MOD Single : A 92 LYS NZ :NH3+ 168:sc= 0.857 (180deg=0.468) USER MOD Single : A 94 SER OG : rot 31:sc= 0.447 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0438 USER MOD Single : A 98 THR OG1 : rot -63:sc= 0.612 USER MOD Single : A 100 THR OG1 : rot 46:sc= 0.631 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -7 -14.082 2.433 8.954 1.00 0.00 N ATOM 2 CA GLY A -7 -13.755 2.713 7.537 1.00 0.00 C ATOM 3 C GLY A -7 -13.911 4.180 7.198 1.00 0.00 C ATOM 4 O GLY A -7 -14.570 4.916 7.935 1.00 0.00 O ATOM 0 H1 GLY A -7 -13.224 2.124 9.454 1.00 0.00 H new ATOM 0 H2 GLY A -7 -14.452 3.296 9.402 1.00 0.00 H new ATOM 0 H3 GLY A -7 -14.800 1.682 9.003 1.00 0.00 H new ATOM 0 HA2 GLY A -7 -12.731 2.401 7.333 1.00 0.00 H new ATOM 0 HA3 GLY A -7 -14.404 2.121 6.891 1.00 0.00 H new ATOM 10 N PRO A -6 -13.304 4.635 6.092 1.00 0.00 N ATOM 11 CA PRO A -6 -13.383 6.032 5.652 1.00 0.00 C ATOM 12 C PRO A -6 -14.786 6.401 5.177 1.00 0.00 C ATOM 13 O PRO A -6 -15.176 6.090 4.051 1.00 0.00 O ATOM 14 CB PRO A -6 -12.385 6.110 4.486 1.00 0.00 C ATOM 15 CG PRO A -6 -11.583 4.853 4.563 1.00 0.00 C ATOM 16 CD PRO A -6 -12.482 3.829 5.183 1.00 0.00 C ATOM 0 HA PRO A -6 -13.156 6.726 6.461 1.00 0.00 H new ATOM 0 HB2 PRO A -6 -12.903 6.187 3.530 1.00 0.00 H new ATOM 0 HB3 PRO A -6 -11.746 6.989 4.574 1.00 0.00 H new ATOM 0 HG2 PRO A -6 -11.256 4.537 3.572 1.00 0.00 H new ATOM 0 HG3 PRO A -6 -10.685 4.999 5.163 1.00 0.00 H new ATOM 0 HD2 PRO A -6 -13.088 3.316 4.436 1.00 0.00 H new ATOM 0 HD3 PRO A -6 -11.918 3.064 5.717 1.00 0.00 H new ATOM 24 N LEU A -5 -15.544 7.052 6.044 1.00 0.00 N ATOM 25 CA LEU A -5 -16.908 7.438 5.726 1.00 0.00 C ATOM 26 C LEU A -5 -17.128 8.907 6.060 1.00 0.00 C ATOM 27 O LEU A -5 -17.073 9.301 7.228 1.00 0.00 O ATOM 28 CB LEU A -5 -17.893 6.560 6.504 1.00 0.00 C ATOM 29 CG LEU A -5 -19.370 6.776 6.173 1.00 0.00 C ATOM 30 CD1 LEU A -5 -19.661 6.387 4.731 1.00 0.00 C ATOM 31 CD2 LEU A -5 -20.247 5.980 7.124 1.00 0.00 C ATOM 0 H LEU A -5 -15.236 7.325 6.977 1.00 0.00 H new ATOM 0 HA LEU A -5 -17.079 7.296 4.659 1.00 0.00 H new ATOM 0 HB2 LEU A -5 -17.646 5.515 6.318 1.00 0.00 H new ATOM 0 HB3 LEU A -5 -17.748 6.737 7.570 1.00 0.00 H new ATOM 0 HG LEU A -5 -19.597 7.835 6.294 1.00 0.00 H new ATOM 0 HD11 LEU A -5 -20.717 6.549 4.517 1.00 0.00 H new ATOM 0 HD12 LEU A -5 -19.057 6.998 4.060 1.00 0.00 H new ATOM 0 HD13 LEU A -5 -19.417 5.335 4.582 1.00 0.00 H new ATOM 0 HD21 LEU A -5 -21.296 6.144 6.876 1.00 0.00 H new ATOM 0 HD22 LEU A -5 -20.014 4.919 7.032 1.00 0.00 H new ATOM 0 HD23 LEU A -5 -20.062 6.305 8.148 1.00 0.00 H new ATOM 43 N GLY A -4 -17.347 9.714 5.031 1.00 0.00 N ATOM 44 CA GLY A -4 -17.579 11.134 5.226 1.00 0.00 C ATOM 45 C GLY A -4 -16.289 11.903 5.410 1.00 0.00 C ATOM 46 O GLY A -4 -15.963 12.783 4.612 1.00 0.00 O ATOM 0 H GLY A -4 -17.368 9.409 4.058 1.00 0.00 H new ATOM 0 HA2 GLY A -4 -18.119 11.534 4.368 1.00 0.00 H new ATOM 0 HA3 GLY A -4 -18.215 11.280 6.099 1.00 0.00 H new ATOM 50 N SER A -3 -15.560 11.564 6.463 1.00 0.00 N ATOM 51 CA SER A -3 -14.288 12.198 6.769 1.00 0.00 C ATOM 52 C SER A -3 -13.245 11.883 5.697 1.00 0.00 C ATOM 53 O SER A -3 -13.232 10.784 5.137 1.00 0.00 O ATOM 54 CB SER A -3 -13.801 11.726 8.140 1.00 0.00 C ATOM 55 OG SER A -3 -14.747 12.054 9.143 1.00 0.00 O ATOM 0 H SER A -3 -15.834 10.842 7.129 1.00 0.00 H new ATOM 0 HA SER A -3 -14.431 13.278 6.787 1.00 0.00 H new ATOM 0 HB2 SER A -3 -13.639 10.648 8.124 1.00 0.00 H new ATOM 0 HB3 SER A -3 -12.842 12.189 8.371 1.00 0.00 H new ATOM 0 HG SER A -3 -14.421 11.744 10.014 1.00 0.00 H new ATOM 61 N PRO A -2 -12.367 12.858 5.396 1.00 0.00 N ATOM 62 CA PRO A -2 -11.313 12.702 4.390 1.00 0.00 C ATOM 63 C PRO A -2 -10.367 11.557 4.720 1.00 0.00 C ATOM 64 O PRO A -2 -9.854 11.458 5.838 1.00 0.00 O ATOM 65 CB PRO A -2 -10.565 14.041 4.422 1.00 0.00 C ATOM 66 CG PRO A -2 -10.944 14.671 5.718 1.00 0.00 C ATOM 67 CD PRO A -2 -12.333 14.191 6.020 1.00 0.00 C ATOM 0 HA PRO A -2 -11.726 12.462 3.410 1.00 0.00 H new ATOM 0 HB2 PRO A -2 -9.487 13.891 4.358 1.00 0.00 H new ATOM 0 HB3 PRO A -2 -10.850 14.671 3.580 1.00 0.00 H new ATOM 0 HG2 PRO A -2 -10.251 14.384 6.509 1.00 0.00 H new ATOM 0 HG3 PRO A -2 -10.914 15.758 5.647 1.00 0.00 H new ATOM 0 HD2 PRO A -2 -12.517 14.139 7.093 1.00 0.00 H new ATOM 0 HD3 PRO A -2 -13.089 14.853 5.598 1.00 0.00 H new ATOM 75 N GLU A -1 -10.145 10.701 3.737 1.00 0.00 N ATOM 76 CA GLU A -1 -9.302 9.531 3.908 1.00 0.00 C ATOM 77 C GLU A -1 -7.833 9.932 3.808 1.00 0.00 C ATOM 78 O GLU A -1 -7.343 10.249 2.722 1.00 0.00 O ATOM 79 CB GLU A -1 -9.641 8.491 2.833 1.00 0.00 C ATOM 80 CG GLU A -1 -9.358 7.050 3.231 1.00 0.00 C ATOM 81 CD GLU A -1 -7.947 6.824 3.726 1.00 0.00 C ATOM 82 OE1 GLU A -1 -7.058 6.587 2.891 1.00 0.00 O ATOM 83 OE2 GLU A -1 -7.735 6.884 4.953 1.00 0.00 O ATOM 0 H GLU A -1 -10.542 10.797 2.802 1.00 0.00 H new ATOM 0 HA GLU A -1 -9.481 9.097 4.892 1.00 0.00 H new ATOM 0 HB2 GLU A -1 -10.697 8.583 2.578 1.00 0.00 H new ATOM 0 HB3 GLU A -1 -9.074 8.723 1.931 1.00 0.00 H new ATOM 0 HG2 GLU A -1 -10.059 6.753 4.011 1.00 0.00 H new ATOM 0 HG3 GLU A -1 -9.541 6.402 2.374 1.00 0.00 H new ATOM 90 N PHE A 0 -7.151 9.963 4.946 1.00 0.00 N ATOM 91 CA PHE A 0 -5.723 10.199 4.973 1.00 0.00 C ATOM 92 C PHE A 0 -5.013 9.079 5.736 1.00 0.00 C ATOM 93 O PHE A 0 -5.318 8.810 6.899 1.00 0.00 O ATOM 94 CB PHE A 0 -5.434 11.569 5.597 1.00 0.00 C ATOM 95 CG PHE A 0 -5.744 11.682 7.067 1.00 0.00 C ATOM 96 CD1 PHE A 0 -7.052 11.808 7.504 1.00 0.00 C ATOM 97 CD2 PHE A 0 -4.726 11.667 8.007 1.00 0.00 C ATOM 98 CE1 PHE A 0 -7.342 11.916 8.852 1.00 0.00 C ATOM 99 CE2 PHE A 0 -5.008 11.775 9.356 1.00 0.00 C ATOM 100 CZ PHE A 0 -6.318 11.900 9.779 1.00 0.00 C ATOM 0 H PHE A 0 -7.572 9.826 5.865 1.00 0.00 H new ATOM 0 HA PHE A 0 -5.339 10.201 3.953 1.00 0.00 H new ATOM 0 HB2 PHE A 0 -4.381 11.805 5.445 1.00 0.00 H new ATOM 0 HB3 PHE A 0 -6.010 12.323 5.061 1.00 0.00 H new ATOM 0 HD1 PHE A 0 -7.856 11.822 6.783 1.00 0.00 H new ATOM 0 HD2 PHE A 0 -3.701 11.570 7.682 1.00 0.00 H new ATOM 0 HE1 PHE A 0 -8.367 12.013 9.179 1.00 0.00 H new ATOM 0 HE2 PHE A 0 -4.206 11.762 10.079 1.00 0.00 H new ATOM 0 HZ PHE A 0 -6.541 11.985 10.832 1.00 0.00 H new ATOM 110 N MET A 1 -4.083 8.413 5.067 1.00 0.00 N ATOM 111 CA MET A 1 -3.296 7.361 5.696 1.00 0.00 C ATOM 112 C MET A 1 -1.846 7.442 5.234 1.00 0.00 C ATOM 113 O MET A 1 -1.581 7.654 4.051 1.00 0.00 O ATOM 114 CB MET A 1 -3.882 5.985 5.367 1.00 0.00 C ATOM 115 CG MET A 1 -3.108 4.830 5.981 1.00 0.00 C ATOM 116 SD MET A 1 -2.990 4.943 7.777 1.00 0.00 S ATOM 117 CE MET A 1 -1.906 3.562 8.119 1.00 0.00 C ATOM 0 H MET A 1 -3.854 8.582 4.087 1.00 0.00 H new ATOM 0 HA MET A 1 -3.328 7.501 6.776 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.914 5.946 5.716 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.907 5.860 4.285 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.592 3.891 5.712 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.104 4.805 5.557 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.831 3.416 9.197 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.309 2.660 7.658 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.916 3.767 7.711 1.00 0.00 H new ATOM 127 N GLU A 2 -0.914 7.273 6.162 1.00 0.00 N ATOM 128 CA GLU A 2 0.503 7.392 5.847 1.00 0.00 C ATOM 129 C GLU A 2 1.331 6.469 6.733 1.00 0.00 C ATOM 130 O GLU A 2 0.933 6.152 7.854 1.00 0.00 O ATOM 131 CB GLU A 2 0.963 8.845 6.009 1.00 0.00 C ATOM 132 CG GLU A 2 0.660 9.441 7.376 1.00 0.00 C ATOM 133 CD GLU A 2 1.067 10.898 7.484 1.00 0.00 C ATOM 134 OE1 GLU A 2 0.238 11.778 7.164 1.00 0.00 O ATOM 135 OE2 GLU A 2 2.212 11.172 7.901 1.00 0.00 O ATOM 0 H GLU A 2 -1.113 7.053 7.138 1.00 0.00 H new ATOM 0 HA GLU A 2 0.652 7.093 4.810 1.00 0.00 H new ATOM 0 HB2 GLU A 2 2.037 8.897 5.831 1.00 0.00 H new ATOM 0 HB3 GLU A 2 0.483 9.455 5.244 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -0.407 9.350 7.579 1.00 0.00 H new ATOM 0 HG3 GLU A 2 1.180 8.865 8.142 1.00 0.00 H new ATOM 142 N GLY A 3 2.470 6.030 6.217 1.00 0.00 N ATOM 143 CA GLY A 3 3.345 5.151 6.971 1.00 0.00 C ATOM 144 C GLY A 3 4.299 4.406 6.060 1.00 0.00 C ATOM 145 O GLY A 3 4.304 4.638 4.854 1.00 0.00 O ATOM 0 H GLY A 3 2.807 6.268 5.284 1.00 0.00 H new ATOM 0 HA2 GLY A 3 3.913 5.735 7.696 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.746 4.436 7.536 1.00 0.00 H new ATOM 149 N VAL A 4 5.111 3.514 6.617 1.00 0.00 N ATOM 150 CA VAL A 4 6.048 2.753 5.801 1.00 0.00 C ATOM 151 C VAL A 4 5.589 1.304 5.684 1.00 0.00 C ATOM 152 O VAL A 4 4.897 0.784 6.565 1.00 0.00 O ATOM 153 CB VAL A 4 7.506 2.803 6.347 1.00 0.00 C ATOM 154 CG1 VAL A 4 7.719 4.020 7.232 1.00 0.00 C ATOM 155 CG2 VAL A 4 7.885 1.523 7.082 1.00 0.00 C ATOM 0 H VAL A 4 5.140 3.303 7.614 1.00 0.00 H new ATOM 0 HA VAL A 4 6.058 3.221 4.816 1.00 0.00 H new ATOM 0 HB VAL A 4 8.167 2.889 5.484 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.746 4.028 7.598 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.532 4.926 6.656 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.032 3.980 8.077 1.00 0.00 H new ATOM 0 HG21 VAL A 4 8.910 1.602 7.446 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.211 1.375 7.926 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.806 0.675 6.401 1.00 0.00 H new ATOM 165 N LEU A 5 5.962 0.670 4.587 1.00 0.00 N ATOM 166 CA LEU A 5 5.635 -0.729 4.351 1.00 0.00 C ATOM 167 C LEU A 5 6.885 -1.466 3.902 1.00 0.00 C ATOM 168 O LEU A 5 7.837 -0.848 3.416 1.00 0.00 O ATOM 169 CB LEU A 5 4.546 -0.896 3.274 1.00 0.00 C ATOM 170 CG LEU A 5 3.104 -0.515 3.663 1.00 0.00 C ATOM 171 CD1 LEU A 5 2.664 -1.213 4.946 1.00 0.00 C ATOM 172 CD2 LEU A 5 2.954 0.990 3.785 1.00 0.00 C ATOM 0 H LEU A 5 6.498 1.106 3.836 1.00 0.00 H new ATOM 0 HA LEU A 5 5.253 -1.141 5.285 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.832 -0.297 2.409 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.545 -1.938 2.954 1.00 0.00 H new ATOM 0 HG LEU A 5 2.448 -0.858 2.863 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.643 -0.920 5.188 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.708 -2.293 4.806 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.327 -0.926 5.762 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.928 1.232 4.060 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.633 1.362 4.552 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.194 1.458 2.830 1.00 0.00 H new ATOM 184 N TYR A 6 6.888 -2.778 4.077 1.00 0.00 N ATOM 185 CA TYR A 6 7.994 -3.603 3.612 1.00 0.00 C ATOM 186 C TYR A 6 7.928 -3.766 2.101 1.00 0.00 C ATOM 187 O TYR A 6 7.183 -4.605 1.595 1.00 0.00 O ATOM 188 CB TYR A 6 7.968 -4.999 4.254 1.00 0.00 C ATOM 189 CG TYR A 6 8.190 -5.048 5.760 1.00 0.00 C ATOM 190 CD1 TYR A 6 7.591 -4.133 6.617 1.00 0.00 C ATOM 191 CD2 TYR A 6 8.998 -6.030 6.318 1.00 0.00 C ATOM 192 CE1 TYR A 6 7.792 -4.192 7.981 1.00 0.00 C ATOM 193 CE2 TYR A 6 9.201 -6.100 7.683 1.00 0.00 C ATOM 194 CZ TYR A 6 8.595 -5.178 8.509 1.00 0.00 C ATOM 195 OH TYR A 6 8.791 -5.241 9.867 1.00 0.00 O ATOM 0 H TYR A 6 6.138 -3.295 4.537 1.00 0.00 H new ATOM 0 HA TYR A 6 8.916 -3.098 3.900 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.005 -5.460 4.034 1.00 0.00 H new ATOM 0 HB3 TYR A 6 8.732 -5.611 3.775 1.00 0.00 H new ATOM 0 HD1 TYR A 6 6.956 -3.361 6.208 1.00 0.00 H new ATOM 0 HD2 TYR A 6 9.477 -6.752 5.673 1.00 0.00 H new ATOM 0 HE1 TYR A 6 7.322 -3.469 8.631 1.00 0.00 H new ATOM 0 HE2 TYR A 6 9.830 -6.872 8.100 1.00 0.00 H new ATOM 0 HH TYR A 6 9.382 -5.994 10.078 1.00 0.00 H new ATOM 205 N LYS A 7 8.701 -2.976 1.378 1.00 0.00 N ATOM 206 CA LYS A 7 8.713 -3.075 -0.070 1.00 0.00 C ATOM 207 C LYS A 7 9.899 -3.906 -0.543 1.00 0.00 C ATOM 208 O LYS A 7 11.057 -3.545 -0.321 1.00 0.00 O ATOM 209 CB LYS A 7 8.751 -1.689 -0.726 1.00 0.00 C ATOM 210 CG LYS A 7 8.828 -1.747 -2.247 1.00 0.00 C ATOM 211 CD LYS A 7 7.626 -2.468 -2.840 1.00 0.00 C ATOM 212 CE LYS A 7 7.885 -2.907 -4.273 1.00 0.00 C ATOM 213 NZ LYS A 7 8.166 -1.758 -5.173 1.00 0.00 N ATOM 0 H LYS A 7 9.323 -2.266 1.765 1.00 0.00 H new ATOM 0 HA LYS A 7 7.790 -3.570 -0.371 1.00 0.00 H new ATOM 0 HB2 LYS A 7 7.861 -1.132 -0.435 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.611 -1.138 -0.346 1.00 0.00 H new ATOM 0 HG2 LYS A 7 8.881 -0.735 -2.648 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.744 -2.257 -2.547 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.387 -3.339 -2.230 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.757 -1.811 -2.812 1.00 0.00 H new ATOM 0 HE2 LYS A 7 8.729 -3.596 -4.293 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.019 -3.454 -4.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.517 -2.110 -6.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.293 -1.214 -5.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 8.885 -1.145 -4.739 1.00 0.00 H new ATOM 227 N TRP A 8 9.593 -5.030 -1.175 1.00 0.00 N ATOM 228 CA TRP A 8 10.609 -5.852 -1.809 1.00 0.00 C ATOM 229 C TRP A 8 11.240 -5.081 -2.960 1.00 0.00 C ATOM 230 O TRP A 8 10.540 -4.607 -3.857 1.00 0.00 O ATOM 231 CB TRP A 8 9.988 -7.158 -2.319 1.00 0.00 C ATOM 232 CG TRP A 8 10.971 -8.070 -2.994 1.00 0.00 C ATOM 233 CD1 TRP A 8 11.333 -8.051 -4.310 1.00 0.00 C ATOM 234 CD2 TRP A 8 11.713 -9.137 -2.390 1.00 0.00 C ATOM 235 NE1 TRP A 8 12.259 -9.033 -4.559 1.00 0.00 N ATOM 236 CE2 TRP A 8 12.508 -9.715 -3.398 1.00 0.00 C ATOM 237 CE3 TRP A 8 11.786 -9.658 -1.095 1.00 0.00 C ATOM 238 CZ2 TRP A 8 13.361 -10.786 -3.151 1.00 0.00 C ATOM 239 CZ3 TRP A 8 12.634 -10.721 -0.850 1.00 0.00 C ATOM 240 CH2 TRP A 8 13.411 -11.277 -1.875 1.00 0.00 C ATOM 0 H TRP A 8 8.644 -5.393 -1.262 1.00 0.00 H new ATOM 0 HA TRP A 8 11.381 -6.099 -1.080 1.00 0.00 H new ATOM 0 HB2 TRP A 8 9.533 -7.685 -1.481 1.00 0.00 H new ATOM 0 HB3 TRP A 8 9.187 -6.920 -3.019 1.00 0.00 H new ATOM 0 HD1 TRP A 8 10.947 -7.363 -5.048 1.00 0.00 H new ATOM 0 HE1 TRP A 8 12.692 -9.224 -5.463 1.00 0.00 H new ATOM 0 HE3 TRP A 8 11.190 -9.237 -0.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 13.963 -11.215 -3.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 12.699 -11.130 0.147 1.00 0.00 H new ATOM 0 HH2 TRP A 8 14.062 -12.110 -1.653 1.00 0.00 H new ATOM 251 N THR A 9 12.551 -4.944 -2.923 1.00 0.00 N ATOM 252 CA THR A 9 13.263 -4.206 -3.950 1.00 0.00 C ATOM 253 C THR A 9 14.054 -5.150 -4.851 1.00 0.00 C ATOM 254 O THR A 9 13.683 -5.392 -6.002 1.00 0.00 O ATOM 255 CB THR A 9 14.199 -3.160 -3.317 1.00 0.00 C ATOM 256 OG1 THR A 9 14.805 -3.700 -2.128 1.00 0.00 O ATOM 257 CG2 THR A 9 13.435 -1.888 -2.976 1.00 0.00 C ATOM 0 H THR A 9 13.146 -5.334 -2.192 1.00 0.00 H new ATOM 0 HA THR A 9 12.526 -3.687 -4.563 1.00 0.00 H new ATOM 0 HB THR A 9 14.977 -2.913 -4.039 1.00 0.00 H new ATOM 0 HG1 THR A 9 15.285 -2.989 -1.654 1.00 0.00 H new ATOM 0 HG21 THR A 9 14.116 -1.163 -2.530 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.003 -1.469 -3.884 1.00 0.00 H new ATOM 0 HG23 THR A 9 12.639 -2.120 -2.269 1.00 0.00 H new ATOM 265 N ASN A 10 15.139 -5.686 -4.320 1.00 0.00 N ATOM 266 CA ASN A 10 15.943 -6.659 -5.038 1.00 0.00 C ATOM 267 C ASN A 10 16.267 -7.804 -4.102 1.00 0.00 C ATOM 268 O ASN A 10 16.176 -7.648 -2.887 1.00 0.00 O ATOM 269 CB ASN A 10 17.247 -6.036 -5.558 1.00 0.00 C ATOM 270 CG ASN A 10 17.023 -4.879 -6.518 1.00 0.00 C ATOM 271 OD1 ASN A 10 16.970 -3.717 -6.110 1.00 0.00 O ATOM 272 ND2 ASN A 10 16.889 -5.186 -7.800 1.00 0.00 N ATOM 0 H ASN A 10 15.485 -5.462 -3.387 1.00 0.00 H new ATOM 0 HA ASN A 10 15.377 -7.014 -5.899 1.00 0.00 H new ATOM 0 HB2 ASN A 10 17.837 -5.686 -4.711 1.00 0.00 H new ATOM 0 HB3 ASN A 10 17.834 -6.806 -6.059 1.00 0.00 H new ATOM 0 HD21 ASN A 10 16.736 -4.448 -8.488 1.00 0.00 H new ATOM 0 HD22 ASN A 10 16.939 -6.160 -8.099 1.00 0.00 H new ATOM 279 N TYR A 11 16.659 -8.944 -4.649 1.00 0.00 N ATOM 280 CA TYR A 11 16.990 -10.099 -3.822 1.00 0.00 C ATOM 281 C TYR A 11 18.241 -9.825 -2.986 1.00 0.00 C ATOM 282 O TYR A 11 18.444 -10.428 -1.935 1.00 0.00 O ATOM 283 CB TYR A 11 17.171 -11.360 -4.682 1.00 0.00 C ATOM 284 CG TYR A 11 18.266 -11.265 -5.726 1.00 0.00 C ATOM 285 CD1 TYR A 11 18.059 -10.597 -6.929 1.00 0.00 C ATOM 286 CD2 TYR A 11 19.505 -11.850 -5.509 1.00 0.00 C ATOM 287 CE1 TYR A 11 19.056 -10.517 -7.881 1.00 0.00 C ATOM 288 CE2 TYR A 11 20.506 -11.774 -6.453 1.00 0.00 C ATOM 289 CZ TYR A 11 20.279 -11.107 -7.637 1.00 0.00 C ATOM 290 OH TYR A 11 21.279 -11.030 -8.579 1.00 0.00 O ATOM 0 H TYR A 11 16.756 -9.096 -5.653 1.00 0.00 H new ATOM 0 HA TYR A 11 16.158 -10.276 -3.141 1.00 0.00 H new ATOM 0 HB2 TYR A 11 17.386 -12.203 -4.025 1.00 0.00 H new ATOM 0 HB3 TYR A 11 16.228 -11.579 -5.183 1.00 0.00 H new ATOM 0 HD1 TYR A 11 17.103 -10.133 -7.121 1.00 0.00 H new ATOM 0 HD2 TYR A 11 19.688 -12.375 -4.583 1.00 0.00 H new ATOM 0 HE1 TYR A 11 18.880 -9.996 -8.810 1.00 0.00 H new ATOM 0 HE2 TYR A 11 21.464 -12.235 -6.266 1.00 0.00 H new ATOM 0 HH TYR A 11 22.075 -11.496 -8.249 1.00 0.00 H new ATOM 300 N LEU A 12 19.068 -8.898 -3.456 1.00 0.00 N ATOM 301 CA LEU A 12 20.283 -8.517 -2.743 1.00 0.00 C ATOM 302 C LEU A 12 19.959 -7.689 -1.502 1.00 0.00 C ATOM 303 O LEU A 12 20.547 -7.883 -0.440 1.00 0.00 O ATOM 304 CB LEU A 12 21.201 -7.715 -3.665 1.00 0.00 C ATOM 305 CG LEU A 12 21.702 -8.460 -4.901 1.00 0.00 C ATOM 306 CD1 LEU A 12 22.495 -7.527 -5.798 1.00 0.00 C ATOM 307 CD2 LEU A 12 22.553 -9.650 -4.494 1.00 0.00 C ATOM 0 H LEU A 12 18.919 -8.395 -4.331 1.00 0.00 H new ATOM 0 HA LEU A 12 20.786 -9.431 -2.427 1.00 0.00 H new ATOM 0 HB2 LEU A 12 20.669 -6.821 -3.991 1.00 0.00 H new ATOM 0 HB3 LEU A 12 22.064 -7.380 -3.089 1.00 0.00 H new ATOM 0 HG LEU A 12 20.838 -8.825 -5.457 1.00 0.00 H new ATOM 0 HD11 LEU A 12 22.844 -8.074 -6.674 1.00 0.00 H new ATOM 0 HD12 LEU A 12 21.859 -6.701 -6.116 1.00 0.00 H new ATOM 0 HD13 LEU A 12 23.352 -7.135 -5.249 1.00 0.00 H new ATOM 0 HD21 LEU A 12 22.902 -10.170 -5.386 1.00 0.00 H new ATOM 0 HD22 LEU A 12 23.411 -9.304 -3.917 1.00 0.00 H new ATOM 0 HD23 LEU A 12 21.958 -10.332 -3.886 1.00 0.00 H new ATOM 319 N THR A 13 19.013 -6.774 -1.647 1.00 0.00 N ATOM 320 CA THR A 13 18.651 -5.862 -0.574 1.00 0.00 C ATOM 321 C THR A 13 17.536 -6.431 0.300 1.00 0.00 C ATOM 322 O THR A 13 17.399 -6.071 1.472 1.00 0.00 O ATOM 323 CB THR A 13 18.205 -4.514 -1.163 1.00 0.00 C ATOM 324 OG1 THR A 13 17.332 -4.744 -2.277 1.00 0.00 O ATOM 325 CG2 THR A 13 19.401 -3.694 -1.615 1.00 0.00 C ATOM 0 H THR A 13 18.478 -6.643 -2.506 1.00 0.00 H new ATOM 0 HA THR A 13 19.532 -5.722 0.052 1.00 0.00 H new ATOM 0 HB THR A 13 17.679 -3.956 -0.388 1.00 0.00 H new ATOM 0 HG1 THR A 13 16.485 -4.272 -2.132 1.00 0.00 H new ATOM 0 HG21 THR A 13 19.057 -2.746 -2.028 1.00 0.00 H new ATOM 0 HG22 THR A 13 20.054 -3.504 -0.764 1.00 0.00 H new ATOM 0 HG23 THR A 13 19.951 -4.244 -2.379 1.00 0.00 H new ATOM 333 N GLY A 14 16.735 -7.310 -0.282 1.00 0.00 N ATOM 334 CA GLY A 14 15.633 -7.899 0.437 1.00 0.00 C ATOM 335 C GLY A 14 14.433 -6.983 0.449 1.00 0.00 C ATOM 336 O GLY A 14 13.619 -6.997 -0.475 1.00 0.00 O ATOM 0 H GLY A 14 16.833 -7.626 -1.247 1.00 0.00 H new ATOM 0 HA2 GLY A 14 15.363 -8.850 -0.023 1.00 0.00 H new ATOM 0 HA3 GLY A 14 15.938 -8.115 1.461 1.00 0.00 H new ATOM 340 N TRP A 15 14.344 -6.153 1.472 1.00 0.00 N ATOM 341 CA TRP A 15 13.216 -5.255 1.620 1.00 0.00 C ATOM 342 C TRP A 15 13.693 -3.866 2.037 1.00 0.00 C ATOM 343 O TRP A 15 14.745 -3.722 2.664 1.00 0.00 O ATOM 344 CB TRP A 15 12.234 -5.808 2.660 1.00 0.00 C ATOM 345 CG TRP A 15 12.603 -5.479 4.079 1.00 0.00 C ATOM 346 CD1 TRP A 15 13.583 -6.046 4.845 1.00 0.00 C ATOM 347 CD2 TRP A 15 11.976 -4.493 4.897 1.00 0.00 C ATOM 348 NE1 TRP A 15 13.602 -5.456 6.091 1.00 0.00 N ATOM 349 CE2 TRP A 15 12.617 -4.501 6.145 1.00 0.00 C ATOM 350 CE3 TRP A 15 10.928 -3.604 4.681 1.00 0.00 C ATOM 351 CZ2 TRP A 15 12.236 -3.642 7.179 1.00 0.00 C ATOM 352 CZ3 TRP A 15 10.545 -2.758 5.696 1.00 0.00 C ATOM 353 CH2 TRP A 15 11.196 -2.779 6.934 1.00 0.00 C ATOM 0 H TRP A 15 15.041 -6.083 2.213 1.00 0.00 H new ATOM 0 HA TRP A 15 12.707 -5.175 0.660 1.00 0.00 H new ATOM 0 HB2 TRP A 15 11.239 -5.413 2.452 1.00 0.00 H new ATOM 0 HB3 TRP A 15 12.176 -6.891 2.551 1.00 0.00 H new ATOM 0 HD1 TRP A 15 14.243 -6.837 4.523 1.00 0.00 H new ATOM 0 HE1 TRP A 15 14.243 -5.691 6.849 1.00 0.00 H new ATOM 0 HE3 TRP A 15 10.421 -3.578 3.728 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 12.740 -3.656 8.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 9.730 -2.068 5.535 1.00 0.00 H new ATOM 0 HH2 TRP A 15 10.874 -2.103 7.713 1.00 0.00 H new ATOM 364 N GLN A 16 12.931 -2.851 1.666 1.00 0.00 N ATOM 365 CA GLN A 16 13.208 -1.490 2.102 1.00 0.00 C ATOM 366 C GLN A 16 11.943 -0.838 2.637 1.00 0.00 C ATOM 367 O GLN A 16 10.924 -0.787 1.947 1.00 0.00 O ATOM 368 CB GLN A 16 13.793 -0.653 0.959 1.00 0.00 C ATOM 369 CG GLN A 16 15.273 -0.908 0.710 1.00 0.00 C ATOM 370 CD GLN A 16 16.140 -0.515 1.893 1.00 0.00 C ATOM 371 OE1 GLN A 16 15.813 0.405 2.643 1.00 0.00 O ATOM 372 NE2 GLN A 16 17.256 -1.207 2.068 1.00 0.00 N ATOM 0 H GLN A 16 12.114 -2.943 1.063 1.00 0.00 H new ATOM 0 HA GLN A 16 13.947 -1.536 2.902 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.238 -0.864 0.045 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.648 0.404 1.183 1.00 0.00 H new ATOM 0 HG2 GLN A 16 15.424 -1.965 0.489 1.00 0.00 H new ATOM 0 HG3 GLN A 16 15.591 -0.350 -0.170 1.00 0.00 H new ATOM 0 HE21 GLN A 16 17.494 -1.963 1.425 1.00 0.00 H new ATOM 0 HE22 GLN A 16 17.878 -0.984 2.845 1.00 0.00 H new ATOM 381 N PRO A 17 11.983 -0.361 3.890 1.00 0.00 N ATOM 382 CA PRO A 17 10.867 0.370 4.492 1.00 0.00 C ATOM 383 C PRO A 17 10.668 1.733 3.832 1.00 0.00 C ATOM 384 O PRO A 17 11.325 2.713 4.187 1.00 0.00 O ATOM 385 CB PRO A 17 11.292 0.545 5.951 1.00 0.00 C ATOM 386 CG PRO A 17 12.779 0.452 5.929 1.00 0.00 C ATOM 387 CD PRO A 17 13.110 -0.517 4.831 1.00 0.00 C ATOM 0 HA PRO A 17 9.920 -0.158 4.377 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.962 1.505 6.347 1.00 0.00 H new ATOM 0 HB3 PRO A 17 10.857 -0.227 6.585 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.229 1.426 5.740 1.00 0.00 H new ATOM 0 HG3 PRO A 17 13.164 0.104 6.888 1.00 0.00 H new ATOM 0 HD2 PRO A 17 14.064 -0.280 4.359 1.00 0.00 H new ATOM 0 HD3 PRO A 17 13.184 -1.538 5.204 1.00 0.00 H new ATOM 395 N ARG A 18 9.765 1.790 2.875 1.00 0.00 N ATOM 396 CA ARG A 18 9.542 3.008 2.117 1.00 0.00 C ATOM 397 C ARG A 18 8.205 3.618 2.523 1.00 0.00 C ATOM 398 O ARG A 18 7.354 2.927 3.080 1.00 0.00 O ATOM 399 CB ARG A 18 9.596 2.702 0.616 1.00 0.00 C ATOM 400 CG ARG A 18 9.722 3.940 -0.262 1.00 0.00 C ATOM 401 CD ARG A 18 10.919 4.802 0.133 1.00 0.00 C ATOM 402 NE ARG A 18 12.201 4.120 -0.047 1.00 0.00 N ATOM 403 CZ ARG A 18 13.348 4.537 0.502 1.00 0.00 C ATOM 404 NH1 ARG A 18 13.380 5.631 1.249 1.00 0.00 N ATOM 405 NH2 ARG A 18 14.474 3.869 0.288 1.00 0.00 N ATOM 0 H ARG A 18 9.172 1.007 2.602 1.00 0.00 H new ATOM 0 HA ARG A 18 10.325 3.735 2.334 1.00 0.00 H new ATOM 0 HB2 ARG A 18 10.441 2.042 0.420 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.695 2.158 0.333 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.822 3.637 -1.304 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.809 4.531 -0.188 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.913 5.715 -0.462 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.816 5.100 1.176 1.00 0.00 H new ATOM 0 HE ARG A 18 12.222 3.279 -0.624 1.00 0.00 H new ATOM 0 HH11 ARG A 18 12.525 6.164 1.410 1.00 0.00 H new ATOM 0 HH12 ARG A 18 14.259 5.940 1.663 1.00 0.00 H new ATOM 0 HH21 ARG A 18 14.468 3.034 -0.297 1.00 0.00 H new ATOM 0 HH22 ARG A 18 15.346 4.191 0.709 1.00 0.00 H new ATOM 419 N TRP A 19 8.022 4.903 2.244 1.00 0.00 N ATOM 420 CA TRP A 19 6.867 5.635 2.743 1.00 0.00 C ATOM 421 C TRP A 19 5.738 5.616 1.721 1.00 0.00 C ATOM 422 O TRP A 19 5.917 6.005 0.566 1.00 0.00 O ATOM 423 CB TRP A 19 7.267 7.079 3.070 1.00 0.00 C ATOM 424 CG TRP A 19 6.219 7.841 3.826 1.00 0.00 C ATOM 425 CD1 TRP A 19 5.195 8.574 3.303 1.00 0.00 C ATOM 426 CD2 TRP A 19 6.103 7.948 5.249 1.00 0.00 C ATOM 427 NE1 TRP A 19 4.445 9.124 4.314 1.00 0.00 N ATOM 428 CE2 TRP A 19 4.983 8.756 5.516 1.00 0.00 C ATOM 429 CE3 TRP A 19 6.833 7.434 6.321 1.00 0.00 C ATOM 430 CZ2 TRP A 19 4.578 9.060 6.812 1.00 0.00 C ATOM 431 CZ3 TRP A 19 6.431 7.742 7.607 1.00 0.00 C ATOM 432 CH2 TRP A 19 5.312 8.549 7.843 1.00 0.00 C ATOM 0 H TRP A 19 8.660 5.459 1.674 1.00 0.00 H new ATOM 0 HA TRP A 19 6.511 5.151 3.653 1.00 0.00 H new ATOM 0 HB2 TRP A 19 8.187 7.068 3.654 1.00 0.00 H new ATOM 0 HB3 TRP A 19 7.486 7.605 2.141 1.00 0.00 H new ATOM 0 HD1 TRP A 19 5.002 8.703 2.248 1.00 0.00 H new ATOM 0 HE1 TRP A 19 3.621 9.711 4.188 1.00 0.00 H new ATOM 0 HE3 TRP A 19 7.696 6.807 6.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 3.712 9.679 6.996 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 6.990 7.353 8.445 1.00 0.00 H new ATOM 0 HH2 TRP A 19 5.024 8.771 8.860 1.00 0.00 H new ATOM 443 N PHE A 20 4.582 5.146 2.162 1.00 0.00 N ATOM 444 CA PHE A 20 3.402 5.067 1.319 1.00 0.00 C ATOM 445 C PHE A 20 2.273 5.885 1.938 1.00 0.00 C ATOM 446 O PHE A 20 2.192 6.013 3.161 1.00 0.00 O ATOM 447 CB PHE A 20 2.950 3.609 1.160 1.00 0.00 C ATOM 448 CG PHE A 20 3.935 2.719 0.450 1.00 0.00 C ATOM 449 CD1 PHE A 20 5.013 2.172 1.127 1.00 0.00 C ATOM 450 CD2 PHE A 20 3.770 2.416 -0.892 1.00 0.00 C ATOM 451 CE1 PHE A 20 5.909 1.342 0.479 1.00 0.00 C ATOM 452 CE2 PHE A 20 4.663 1.588 -1.544 1.00 0.00 C ATOM 453 CZ PHE A 20 5.734 1.051 -0.858 1.00 0.00 C ATOM 0 H PHE A 20 4.436 4.809 3.114 1.00 0.00 H new ATOM 0 HA PHE A 20 3.649 5.467 0.336 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.753 3.194 2.149 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.007 3.593 0.614 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.155 2.397 2.174 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.934 2.832 -1.434 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.745 0.922 1.019 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.523 1.361 -2.591 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.433 0.404 -1.367 1.00 0.00 H new ATOM 463 N VAL A 21 1.425 6.454 1.094 1.00 0.00 N ATOM 464 CA VAL A 21 0.263 7.209 1.552 1.00 0.00 C ATOM 465 C VAL A 21 -0.969 6.844 0.732 1.00 0.00 C ATOM 466 O VAL A 21 -0.881 6.670 -0.485 1.00 0.00 O ATOM 467 CB VAL A 21 0.475 8.743 1.486 1.00 0.00 C ATOM 468 CG1 VAL A 21 1.663 9.171 2.330 1.00 0.00 C ATOM 469 CG2 VAL A 21 0.631 9.219 0.050 1.00 0.00 C ATOM 0 H VAL A 21 1.520 6.408 0.079 1.00 0.00 H new ATOM 0 HA VAL A 21 0.117 6.937 2.597 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.417 9.214 1.899 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.786 10.252 2.263 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.492 8.889 3.369 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.565 8.680 1.964 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.778 10.299 0.039 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.493 8.731 -0.404 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.267 8.969 -0.516 1.00 0.00 H new ATOM 479 N LEU A 22 -2.104 6.692 1.395 1.00 0.00 N ATOM 480 CA LEU A 22 -3.355 6.477 0.688 1.00 0.00 C ATOM 481 C LEU A 22 -4.108 7.795 0.684 1.00 0.00 C ATOM 482 O LEU A 22 -4.388 8.369 1.738 1.00 0.00 O ATOM 483 CB LEU A 22 -4.189 5.369 1.364 1.00 0.00 C ATOM 484 CG LEU A 22 -5.244 4.662 0.481 1.00 0.00 C ATOM 485 CD1 LEU A 22 -6.362 5.607 0.064 1.00 0.00 C ATOM 486 CD2 LEU A 22 -4.594 4.047 -0.748 1.00 0.00 C ATOM 0 H LEU A 22 -2.185 6.713 2.412 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.161 6.147 -0.333 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.504 4.613 1.748 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.699 5.803 2.224 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.686 3.869 1.084 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.081 5.070 -0.555 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.864 5.992 0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.943 6.437 -0.504 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.355 3.555 -1.354 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.112 4.829 -1.335 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.848 3.315 -0.437 1.00 0.00 H new ATOM 498 N ASP A 23 -4.389 8.289 -0.506 1.00 0.00 N ATOM 499 CA ASP A 23 -5.046 9.576 -0.659 1.00 0.00 C ATOM 500 C ASP A 23 -6.139 9.492 -1.717 1.00 0.00 C ATOM 501 O ASP A 23 -5.856 9.356 -2.908 1.00 0.00 O ATOM 502 CB ASP A 23 -4.021 10.652 -1.044 1.00 0.00 C ATOM 503 CG ASP A 23 -4.616 12.050 -1.098 1.00 0.00 C ATOM 504 OD1 ASP A 23 -5.164 12.436 -2.155 1.00 0.00 O ATOM 505 OD2 ASP A 23 -4.524 12.780 -0.086 1.00 0.00 O ATOM 0 H ASP A 23 -4.173 7.818 -1.385 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.502 9.848 0.293 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.202 10.640 -0.324 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.594 10.407 -2.017 1.00 0.00 H new ATOM 510 N ASN A 24 -7.387 9.528 -1.252 1.00 0.00 N ATOM 511 CA ASN A 24 -8.571 9.569 -2.120 1.00 0.00 C ATOM 512 C ASN A 24 -8.561 8.443 -3.160 1.00 0.00 C ATOM 513 O ASN A 24 -8.807 8.663 -4.347 1.00 0.00 O ATOM 514 CB ASN A 24 -8.679 10.940 -2.804 1.00 0.00 C ATOM 515 CG ASN A 24 -10.032 11.166 -3.461 1.00 0.00 C ATOM 516 OD1 ASN A 24 -11.054 10.653 -3.004 1.00 0.00 O ATOM 517 ND2 ASN A 24 -10.048 11.940 -4.537 1.00 0.00 N ATOM 0 H ASN A 24 -7.610 9.530 -0.257 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.448 9.415 -1.491 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.503 11.723 -2.067 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -7.895 11.028 -3.557 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -10.928 12.129 -5.017 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -9.180 12.347 -4.885 1.00 0.00 H new ATOM 524 N GLY A 25 -8.267 7.232 -2.707 1.00 0.00 N ATOM 525 CA GLY A 25 -8.313 6.081 -3.587 1.00 0.00 C ATOM 526 C GLY A 25 -7.016 5.853 -4.337 1.00 0.00 C ATOM 527 O GLY A 25 -6.902 4.903 -5.113 1.00 0.00 O ATOM 0 H GLY A 25 -7.997 7.026 -1.745 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.548 5.192 -3.001 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -9.123 6.212 -4.305 1.00 0.00 H new ATOM 531 N ILE A 26 -6.041 6.724 -4.134 1.00 0.00 N ATOM 532 CA ILE A 26 -4.749 6.556 -4.778 1.00 0.00 C ATOM 533 C ILE A 26 -3.674 6.257 -3.741 1.00 0.00 C ATOM 534 O ILE A 26 -3.537 6.972 -2.754 1.00 0.00 O ATOM 535 CB ILE A 26 -4.334 7.798 -5.598 1.00 0.00 C ATOM 536 CG1 ILE A 26 -5.451 8.209 -6.569 1.00 0.00 C ATOM 537 CG2 ILE A 26 -3.043 7.514 -6.358 1.00 0.00 C ATOM 538 CD1 ILE A 26 -5.875 7.110 -7.525 1.00 0.00 C ATOM 0 H ILE A 26 -6.118 7.546 -3.535 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.848 5.717 -5.466 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.163 8.626 -4.910 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -6.319 8.530 -5.993 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.116 9.070 -7.147 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.758 8.395 -6.933 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.250 7.271 -5.651 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.196 6.673 -7.034 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.667 7.480 -8.176 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.021 6.804 -8.129 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.242 6.255 -6.957 1.00 0.00 H new ATOM 550 N LEU A 27 -2.926 5.194 -3.970 1.00 0.00 N ATOM 551 CA LEU A 27 -1.847 4.808 -3.080 1.00 0.00 C ATOM 552 C LEU A 27 -0.529 5.264 -3.690 1.00 0.00 C ATOM 553 O LEU A 27 -0.087 4.730 -4.701 1.00 0.00 O ATOM 554 CB LEU A 27 -1.870 3.280 -2.868 1.00 0.00 C ATOM 555 CG LEU A 27 -0.990 2.726 -1.736 1.00 0.00 C ATOM 556 CD1 LEU A 27 0.484 2.754 -2.108 1.00 0.00 C ATOM 557 CD2 LEU A 27 -1.235 3.492 -0.443 1.00 0.00 C ATOM 0 H LEU A 27 -3.048 4.577 -4.773 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.966 5.280 -2.105 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.900 2.979 -2.677 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.566 2.803 -3.800 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.269 1.684 -1.580 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.075 2.355 -1.284 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.646 2.146 -2.998 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.789 3.781 -2.309 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.603 3.085 0.346 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.996 4.545 -0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.282 3.395 -0.156 1.00 0.00 H new ATOM 569 N SER A 28 0.095 6.247 -3.079 1.00 0.00 N ATOM 570 CA SER A 28 1.309 6.818 -3.626 1.00 0.00 C ATOM 571 C SER A 28 2.503 6.490 -2.742 1.00 0.00 C ATOM 572 O SER A 28 2.397 6.504 -1.516 1.00 0.00 O ATOM 573 CB SER A 28 1.147 8.328 -3.762 1.00 0.00 C ATOM 574 OG SER A 28 -0.005 8.644 -4.526 1.00 0.00 O ATOM 0 H SER A 28 -0.217 6.668 -2.204 1.00 0.00 H new ATOM 0 HA SER A 28 1.490 6.387 -4.611 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.069 8.780 -2.773 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.032 8.752 -4.237 1.00 0.00 H new ATOM 0 HG SER A 28 -0.092 9.617 -4.600 1.00 0.00 H new ATOM 580 N TYR A 29 3.628 6.177 -3.364 1.00 0.00 N ATOM 581 CA TYR A 29 4.851 5.913 -2.628 1.00 0.00 C ATOM 582 C TYR A 29 5.832 7.062 -2.801 1.00 0.00 C ATOM 583 O TYR A 29 5.970 7.617 -3.893 1.00 0.00 O ATOM 584 CB TYR A 29 5.488 4.584 -3.061 1.00 0.00 C ATOM 585 CG TYR A 29 5.679 4.412 -4.556 1.00 0.00 C ATOM 586 CD1 TYR A 29 6.824 4.876 -5.189 1.00 0.00 C ATOM 587 CD2 TYR A 29 4.720 3.764 -5.329 1.00 0.00 C ATOM 588 CE1 TYR A 29 7.007 4.706 -6.550 1.00 0.00 C ATOM 589 CE2 TYR A 29 4.897 3.585 -6.689 1.00 0.00 C ATOM 590 CZ TYR A 29 6.041 4.058 -7.296 1.00 0.00 C ATOM 591 OH TYR A 29 6.224 3.880 -8.650 1.00 0.00 O ATOM 0 H TYR A 29 3.718 6.100 -4.377 1.00 0.00 H new ATOM 0 HA TYR A 29 4.597 5.828 -1.571 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.459 4.490 -2.574 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.867 3.766 -2.694 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.585 5.378 -4.610 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.821 3.394 -4.858 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.901 5.078 -7.027 1.00 0.00 H new ATOM 0 HE2 TYR A 29 4.143 3.077 -7.272 1.00 0.00 H new ATOM 0 HH TYR A 29 5.453 3.406 -9.025 1.00 0.00 H new ATOM 601 N TYR A 30 6.493 7.424 -1.715 1.00 0.00 N ATOM 602 CA TYR A 30 7.461 8.507 -1.725 1.00 0.00 C ATOM 603 C TYR A 30 8.768 8.033 -1.117 1.00 0.00 C ATOM 604 O TYR A 30 8.803 6.992 -0.459 1.00 0.00 O ATOM 605 CB TYR A 30 6.930 9.711 -0.943 1.00 0.00 C ATOM 606 CG TYR A 30 5.648 10.283 -1.494 1.00 0.00 C ATOM 607 CD1 TYR A 30 4.418 9.820 -1.054 1.00 0.00 C ATOM 608 CD2 TYR A 30 5.665 11.284 -2.455 1.00 0.00 C ATOM 609 CE1 TYR A 30 3.242 10.337 -1.552 1.00 0.00 C ATOM 610 CE2 TYR A 30 4.492 11.807 -2.955 1.00 0.00 C ATOM 611 CZ TYR A 30 3.283 11.329 -2.502 1.00 0.00 C ATOM 612 OH TYR A 30 2.110 11.837 -3.007 1.00 0.00 O ATOM 0 H TYR A 30 6.375 6.978 -0.805 1.00 0.00 H new ATOM 0 HA TYR A 30 7.632 8.812 -2.757 1.00 0.00 H new ATOM 0 HB2 TYR A 30 6.768 9.415 0.094 1.00 0.00 H new ATOM 0 HB3 TYR A 30 7.691 10.491 -0.937 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.381 9.040 -0.308 1.00 0.00 H new ATOM 0 HD2 TYR A 30 6.611 11.659 -2.816 1.00 0.00 H new ATOM 0 HE1 TYR A 30 2.292 9.964 -1.197 1.00 0.00 H new ATOM 0 HE2 TYR A 30 4.521 12.589 -3.699 1.00 0.00 H new ATOM 0 HH TYR A 30 2.032 11.599 -3.955 1.00 0.00 H new ATOM 622 N ASP A 31 9.833 8.786 -1.331 1.00 0.00 N ATOM 623 CA ASP A 31 11.130 8.431 -0.775 1.00 0.00 C ATOM 624 C ASP A 31 11.126 8.636 0.734 1.00 0.00 C ATOM 625 O ASP A 31 11.688 7.840 1.488 1.00 0.00 O ATOM 626 CB ASP A 31 12.237 9.265 -1.423 1.00 0.00 C ATOM 627 CG ASP A 31 13.610 8.909 -0.896 1.00 0.00 C ATOM 628 OD1 ASP A 31 14.218 7.949 -1.420 1.00 0.00 O ATOM 629 OD2 ASP A 31 14.087 9.583 0.038 1.00 0.00 O ATOM 0 H ASP A 31 9.827 9.644 -1.883 1.00 0.00 H new ATOM 0 HA ASP A 31 11.324 7.379 -0.986 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.215 9.117 -2.503 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.044 10.323 -1.243 1.00 0.00 H new ATOM 634 N SER A 32 10.439 9.679 1.166 1.00 0.00 N ATOM 635 CA SER A 32 10.394 10.039 2.568 1.00 0.00 C ATOM 636 C SER A 32 9.102 10.796 2.866 1.00 0.00 C ATOM 637 O SER A 32 8.256 10.951 1.985 1.00 0.00 O ATOM 638 CB SER A 32 11.613 10.897 2.925 1.00 0.00 C ATOM 639 OG SER A 32 11.696 11.150 4.318 1.00 0.00 O ATOM 0 H SER A 32 9.901 10.295 0.557 1.00 0.00 H new ATOM 0 HA SER A 32 10.416 9.133 3.174 1.00 0.00 H new ATOM 0 HB2 SER A 32 12.521 10.393 2.594 1.00 0.00 H new ATOM 0 HB3 SER A 32 11.560 11.844 2.387 1.00 0.00 H new ATOM 0 HG SER A 32 12.487 11.698 4.504 1.00 0.00 H new ATOM 645 N GLN A 33 8.961 11.281 4.088 1.00 0.00 N ATOM 646 CA GLN A 33 7.762 12.014 4.478 1.00 0.00 C ATOM 647 C GLN A 33 7.754 13.399 3.832 1.00 0.00 C ATOM 648 O GLN A 33 6.721 13.866 3.354 1.00 0.00 O ATOM 649 CB GLN A 33 7.673 12.126 6.003 1.00 0.00 C ATOM 650 CG GLN A 33 6.446 12.880 6.490 1.00 0.00 C ATOM 651 CD GLN A 33 6.312 12.867 7.998 1.00 0.00 C ATOM 652 OE1 GLN A 33 6.863 13.721 8.689 1.00 0.00 O ATOM 653 NE2 GLN A 33 5.561 11.907 8.515 1.00 0.00 N ATOM 0 H GLN A 33 9.657 11.183 4.827 1.00 0.00 H new ATOM 0 HA GLN A 33 6.888 11.465 4.126 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.667 11.124 6.432 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.567 12.626 6.374 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.497 13.912 6.143 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.554 12.439 6.046 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.122 11.218 7.904 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.421 11.856 9.524 1.00 0.00 H new ATOM 662 N ASP A 34 8.917 14.039 3.797 1.00 0.00 N ATOM 663 CA ASP A 34 9.056 15.350 3.160 1.00 0.00 C ATOM 664 C ASP A 34 8.894 15.236 1.646 1.00 0.00 C ATOM 665 O ASP A 34 8.449 16.170 0.975 1.00 0.00 O ATOM 666 CB ASP A 34 10.416 15.966 3.504 1.00 0.00 C ATOM 667 CG ASP A 34 10.721 17.214 2.696 1.00 0.00 C ATOM 668 OD1 ASP A 34 10.028 18.235 2.879 1.00 0.00 O ATOM 669 OD2 ASP A 34 11.665 17.182 1.880 1.00 0.00 O ATOM 0 H ASP A 34 9.779 13.674 4.201 1.00 0.00 H new ATOM 0 HA ASP A 34 8.269 16.001 3.541 1.00 0.00 H new ATOM 0 HB2 ASP A 34 10.440 16.212 4.566 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.198 15.227 3.331 1.00 0.00 H new ATOM 674 N ASP A 35 9.223 14.065 1.123 1.00 0.00 N ATOM 675 CA ASP A 35 9.145 13.808 -0.311 1.00 0.00 C ATOM 676 C ASP A 35 7.689 13.790 -0.777 1.00 0.00 C ATOM 677 O ASP A 35 7.400 14.001 -1.953 1.00 0.00 O ATOM 678 CB ASP A 35 9.834 12.482 -0.633 1.00 0.00 C ATOM 679 CG ASP A 35 9.946 12.215 -2.120 1.00 0.00 C ATOM 680 OD1 ASP A 35 10.646 12.984 -2.811 1.00 0.00 O ATOM 681 OD2 ASP A 35 9.373 11.211 -2.584 1.00 0.00 O ATOM 0 H ASP A 35 9.549 13.271 1.673 1.00 0.00 H new ATOM 0 HA ASP A 35 9.656 14.610 -0.844 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.832 12.482 -0.194 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.280 11.669 -0.165 1.00 0.00 H new ATOM 686 N VAL A 36 6.777 13.573 0.166 1.00 0.00 N ATOM 687 CA VAL A 36 5.344 13.596 -0.122 1.00 0.00 C ATOM 688 C VAL A 36 4.929 14.949 -0.698 1.00 0.00 C ATOM 689 O VAL A 36 4.108 15.028 -1.615 1.00 0.00 O ATOM 690 CB VAL A 36 4.508 13.309 1.149 1.00 0.00 C ATOM 691 CG1 VAL A 36 3.019 13.421 0.859 1.00 0.00 C ATOM 692 CG2 VAL A 36 4.838 11.933 1.711 1.00 0.00 C ATOM 0 H VAL A 36 7.005 13.378 1.141 1.00 0.00 H new ATOM 0 HA VAL A 36 5.151 12.813 -0.855 1.00 0.00 H new ATOM 0 HB VAL A 36 4.766 14.059 1.896 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.455 13.215 1.768 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.791 14.428 0.511 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.743 12.700 0.089 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.240 11.752 2.604 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.615 11.172 0.964 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.896 11.889 1.969 1.00 0.00 H new ATOM 702 N CYS A 37 5.528 16.007 -0.174 1.00 0.00 N ATOM 703 CA CYS A 37 5.178 17.361 -0.566 1.00 0.00 C ATOM 704 C CYS A 37 5.645 17.663 -1.990 1.00 0.00 C ATOM 705 O CYS A 37 5.129 18.571 -2.643 1.00 0.00 O ATOM 706 CB CYS A 37 5.805 18.352 0.414 1.00 0.00 C ATOM 707 SG CYS A 37 5.299 20.079 0.188 1.00 0.00 S ATOM 0 H CYS A 37 6.265 15.951 0.529 1.00 0.00 H new ATOM 0 HA CYS A 37 4.093 17.459 -0.543 1.00 0.00 H new ATOM 0 HB2 CYS A 37 5.552 18.045 1.429 1.00 0.00 H new ATOM 0 HB3 CYS A 37 6.890 18.292 0.324 1.00 0.00 H new ATOM 0 HG CYS A 37 5.036 20.293 -1.067 1.00 0.00 H new ATOM 713 N LYS A 38 6.626 16.903 -2.469 1.00 0.00 N ATOM 714 CA LYS A 38 7.189 17.121 -3.789 1.00 0.00 C ATOM 715 C LYS A 38 6.260 16.583 -4.878 1.00 0.00 C ATOM 716 O LYS A 38 6.360 16.969 -6.046 1.00 0.00 O ATOM 717 CB LYS A 38 8.563 16.452 -3.914 1.00 0.00 C ATOM 718 CG LYS A 38 9.381 16.416 -2.631 1.00 0.00 C ATOM 719 CD LYS A 38 9.509 17.778 -1.979 1.00 0.00 C ATOM 720 CE LYS A 38 10.644 17.780 -0.976 1.00 0.00 C ATOM 721 NZ LYS A 38 10.559 18.920 -0.025 1.00 0.00 N ATOM 0 H LYS A 38 7.046 16.128 -1.956 1.00 0.00 H new ATOM 0 HA LYS A 38 7.303 18.197 -3.922 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.422 15.430 -4.266 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.137 16.976 -4.678 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.917 15.724 -1.929 1.00 0.00 H new ATOM 0 HG3 LYS A 38 10.376 16.028 -2.850 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.687 18.537 -2.741 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.575 18.039 -1.481 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.634 16.844 -0.418 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.595 17.824 -1.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.215 18.762 0.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.814 19.801 -0.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.588 18.996 0.340 1.00 0.00 H new ATOM 735 N GLY A 39 5.361 15.687 -4.486 1.00 0.00 N ATOM 736 CA GLY A 39 4.428 15.100 -5.426 1.00 0.00 C ATOM 737 C GLY A 39 5.006 13.883 -6.118 1.00 0.00 C ATOM 738 O GLY A 39 6.021 13.980 -6.805 1.00 0.00 O ATOM 0 H GLY A 39 5.263 15.356 -3.526 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.515 14.819 -4.902 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.151 15.844 -6.173 1.00 0.00 H new ATOM 742 N SER A 40 4.367 12.740 -5.939 1.00 0.00 N ATOM 743 CA SER A 40 4.855 11.496 -6.513 1.00 0.00 C ATOM 744 C SER A 40 4.613 11.440 -8.015 1.00 0.00 C ATOM 745 O SER A 40 3.544 11.810 -8.499 1.00 0.00 O ATOM 746 CB SER A 40 4.181 10.307 -5.833 1.00 0.00 C ATOM 747 OG SER A 40 2.787 10.531 -5.689 1.00 0.00 O ATOM 0 H SER A 40 3.507 12.647 -5.399 1.00 0.00 H new ATOM 0 HA SER A 40 5.931 11.450 -6.345 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.350 9.404 -6.419 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.630 10.140 -4.854 1.00 0.00 H new ATOM 0 HG SER A 40 2.300 9.996 -6.350 1.00 0.00 H new ATOM 753 N LYS A 41 5.619 10.983 -8.747 1.00 0.00 N ATOM 754 CA LYS A 41 5.480 10.773 -10.184 1.00 0.00 C ATOM 755 C LYS A 41 5.130 9.314 -10.453 1.00 0.00 C ATOM 756 O LYS A 41 4.937 8.899 -11.595 1.00 0.00 O ATOM 757 CB LYS A 41 6.760 11.171 -10.933 1.00 0.00 C ATOM 758 CG LYS A 41 6.881 12.665 -11.188 1.00 0.00 C ATOM 759 CD LYS A 41 7.079 13.443 -9.900 1.00 0.00 C ATOM 760 CE LYS A 41 6.586 14.869 -10.042 1.00 0.00 C ATOM 761 NZ LYS A 41 6.782 15.659 -8.794 1.00 0.00 N ATOM 0 H LYS A 41 6.539 10.751 -8.372 1.00 0.00 H new ATOM 0 HA LYS A 41 4.676 11.410 -10.553 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.625 10.839 -10.358 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.790 10.645 -11.887 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.720 12.852 -11.858 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.983 13.021 -11.693 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.545 12.950 -9.088 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.135 13.445 -9.632 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.113 15.354 -10.864 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.528 14.862 -10.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.021 16.362 -8.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.762 15.021 -7.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.700 16.146 -8.832 1.00 0.00 H new ATOM 775 N GLY A 42 5.061 8.548 -9.371 1.00 0.00 N ATOM 776 CA GLY A 42 4.663 7.161 -9.441 1.00 0.00 C ATOM 777 C GLY A 42 3.634 6.846 -8.378 1.00 0.00 C ATOM 778 O GLY A 42 3.964 6.739 -7.195 1.00 0.00 O ATOM 0 H GLY A 42 5.279 8.875 -8.430 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.252 6.945 -10.427 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.535 6.520 -9.311 1.00 0.00 H new ATOM 782 N SER A 43 2.385 6.726 -8.791 1.00 0.00 N ATOM 783 CA SER A 43 1.294 6.505 -7.860 1.00 0.00 C ATOM 784 C SER A 43 0.467 5.298 -8.298 1.00 0.00 C ATOM 785 O SER A 43 0.404 4.976 -9.485 1.00 0.00 O ATOM 786 CB SER A 43 0.423 7.762 -7.783 1.00 0.00 C ATOM 787 OG SER A 43 1.220 8.925 -7.602 1.00 0.00 O ATOM 0 H SER A 43 2.101 6.778 -9.769 1.00 0.00 H new ATOM 0 HA SER A 43 1.699 6.299 -6.869 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.164 7.858 -8.696 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.283 7.669 -6.958 1.00 0.00 H new ATOM 0 HG SER A 43 0.641 9.715 -7.557 1.00 0.00 H new ATOM 793 N ILE A 44 -0.168 4.636 -7.345 1.00 0.00 N ATOM 794 CA ILE A 44 -0.911 3.420 -7.626 1.00 0.00 C ATOM 795 C ILE A 44 -2.405 3.651 -7.460 1.00 0.00 C ATOM 796 O ILE A 44 -2.874 4.056 -6.401 1.00 0.00 O ATOM 797 CB ILE A 44 -0.474 2.266 -6.699 1.00 0.00 C ATOM 798 CG1 ILE A 44 1.014 1.961 -6.888 1.00 0.00 C ATOM 799 CG2 ILE A 44 -1.316 1.025 -6.964 1.00 0.00 C ATOM 800 CD1 ILE A 44 1.538 0.899 -5.945 1.00 0.00 C ATOM 0 H ILE A 44 -0.183 4.922 -6.366 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.696 3.144 -8.658 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.631 2.573 -5.665 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.183 1.638 -7.915 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.586 2.878 -6.744 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.996 0.220 -6.303 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.366 1.251 -6.778 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -1.190 0.714 -8.001 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.599 0.734 -6.136 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.401 1.228 -4.915 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.992 -0.031 -6.105 1.00 0.00 H new ATOM 812 N LYS A 45 -3.146 3.399 -8.519 1.00 0.00 N ATOM 813 CA LYS A 45 -4.591 3.550 -8.491 1.00 0.00 C ATOM 814 C LYS A 45 -5.242 2.324 -7.856 1.00 0.00 C ATOM 815 O LYS A 45 -5.160 1.226 -8.398 1.00 0.00 O ATOM 816 CB LYS A 45 -5.121 3.752 -9.916 1.00 0.00 C ATOM 817 CG LYS A 45 -6.619 3.515 -10.047 1.00 0.00 C ATOM 818 CD LYS A 45 -7.099 3.631 -11.483 1.00 0.00 C ATOM 819 CE LYS A 45 -6.936 5.035 -12.021 1.00 0.00 C ATOM 820 NZ LYS A 45 -7.445 5.149 -13.410 1.00 0.00 N ATOM 0 H LYS A 45 -2.772 3.087 -9.415 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.842 4.424 -7.891 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.892 4.767 -10.239 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.594 3.077 -10.590 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.862 2.524 -9.664 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.154 4.236 -9.428 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.541 2.935 -12.110 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.148 3.340 -11.540 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.469 5.736 -11.379 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.883 5.316 -11.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.318 6.124 -13.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.919 4.498 -14.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.456 4.905 -13.430 1.00 0.00 H new ATOM 834 N MET A 46 -5.894 2.515 -6.712 1.00 0.00 N ATOM 835 CA MET A 46 -6.566 1.412 -6.030 1.00 0.00 C ATOM 836 C MET A 46 -7.722 0.874 -6.861 1.00 0.00 C ATOM 837 O MET A 46 -8.026 -0.305 -6.809 1.00 0.00 O ATOM 838 CB MET A 46 -7.098 1.838 -4.665 1.00 0.00 C ATOM 839 CG MET A 46 -6.029 2.014 -3.596 1.00 0.00 C ATOM 840 SD MET A 46 -6.437 1.124 -2.091 1.00 0.00 S ATOM 841 CE MET A 46 -6.313 -0.559 -2.685 1.00 0.00 C ATOM 0 H MET A 46 -5.971 3.416 -6.240 1.00 0.00 H new ATOM 0 HA MET A 46 -5.820 0.629 -5.894 1.00 0.00 H new ATOM 0 HB2 MET A 46 -7.639 2.778 -4.777 1.00 0.00 H new ATOM 0 HB3 MET A 46 -7.818 1.095 -4.322 1.00 0.00 H new ATOM 0 HG2 MET A 46 -5.071 1.661 -3.978 1.00 0.00 H new ATOM 0 HG3 MET A 46 -5.911 3.074 -3.371 1.00 0.00 H new ATOM 0 HE1 MET A 46 -5.840 -1.180 -1.924 1.00 0.00 H new ATOM 0 HE2 MET A 46 -7.310 -0.944 -2.899 1.00 0.00 H new ATOM 0 HE3 MET A 46 -5.713 -0.580 -3.595 1.00 0.00 H new ATOM 851 N ALA A 47 -8.350 1.747 -7.644 1.00 0.00 N ATOM 852 CA ALA A 47 -9.509 1.366 -8.457 1.00 0.00 C ATOM 853 C ALA A 47 -9.133 0.387 -9.573 1.00 0.00 C ATOM 854 O ALA A 47 -10.004 -0.164 -10.242 1.00 0.00 O ATOM 855 CB ALA A 47 -10.183 2.608 -9.038 1.00 0.00 C ATOM 0 H ALA A 47 -8.078 2.726 -7.735 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.213 0.853 -7.801 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -11.042 2.309 -9.639 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -10.516 3.255 -8.226 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -9.473 3.148 -9.664 1.00 0.00 H new ATOM 861 N VAL A 48 -7.837 0.193 -9.784 1.00 0.00 N ATOM 862 CA VAL A 48 -7.356 -0.748 -10.790 1.00 0.00 C ATOM 863 C VAL A 48 -6.383 -1.749 -10.155 1.00 0.00 C ATOM 864 O VAL A 48 -5.819 -2.618 -10.824 1.00 0.00 O ATOM 865 CB VAL A 48 -6.673 0.009 -11.951 1.00 0.00 C ATOM 866 CG1 VAL A 48 -5.341 0.585 -11.511 1.00 0.00 C ATOM 867 CG2 VAL A 48 -6.503 -0.878 -13.173 1.00 0.00 C ATOM 0 H VAL A 48 -7.099 0.675 -9.271 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.207 -1.298 -11.191 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.326 0.835 -12.234 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.880 1.113 -12.345 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.500 1.279 -10.685 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.685 -0.222 -11.185 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.019 -0.312 -13.969 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.887 -1.739 -12.915 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.480 -1.220 -13.513 1.00 0.00 H new ATOM 877 N CYS A 49 -6.201 -1.623 -8.852 1.00 0.00 N ATOM 878 CA CYS A 49 -5.247 -2.446 -8.132 1.00 0.00 C ATOM 879 C CYS A 49 -5.931 -3.175 -6.984 1.00 0.00 C ATOM 880 O CYS A 49 -6.623 -2.565 -6.173 1.00 0.00 O ATOM 881 CB CYS A 49 -4.103 -1.579 -7.595 1.00 0.00 C ATOM 882 SG CYS A 49 -2.895 -2.475 -6.593 1.00 0.00 S ATOM 0 H CYS A 49 -6.705 -0.955 -8.269 1.00 0.00 H new ATOM 0 HA CYS A 49 -4.839 -3.186 -8.821 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -3.587 -1.117 -8.437 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.525 -0.771 -6.997 1.00 0.00 H new ATOM 0 HG CYS A 49 -1.785 -1.800 -6.545 1.00 0.00 H new ATOM 888 N GLU A 50 -5.719 -4.475 -6.910 1.00 0.00 N ATOM 889 CA GLU A 50 -6.301 -5.269 -5.847 1.00 0.00 C ATOM 890 C GLU A 50 -5.370 -5.292 -4.648 1.00 0.00 C ATOM 891 O GLU A 50 -4.172 -5.553 -4.779 1.00 0.00 O ATOM 892 CB GLU A 50 -6.566 -6.699 -6.324 1.00 0.00 C ATOM 893 CG GLU A 50 -8.039 -7.085 -6.357 1.00 0.00 C ATOM 894 CD GLU A 50 -8.621 -7.344 -4.978 1.00 0.00 C ATOM 895 OE1 GLU A 50 -8.110 -8.243 -4.272 1.00 0.00 O ATOM 896 OE2 GLU A 50 -9.611 -6.684 -4.605 1.00 0.00 O ATOM 0 H GLU A 50 -5.149 -5.002 -7.572 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.250 -4.817 -5.559 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.148 -6.820 -7.324 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.035 -7.392 -5.671 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.606 -6.289 -6.840 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.160 -7.979 -6.969 1.00 0.00 H new ATOM 903 N ILE A 51 -5.925 -4.988 -3.494 1.00 0.00 N ATOM 904 CA ILE A 51 -5.223 -5.150 -2.237 1.00 0.00 C ATOM 905 C ILE A 51 -5.673 -6.458 -1.630 1.00 0.00 C ATOM 906 O ILE A 51 -6.845 -6.637 -1.302 1.00 0.00 O ATOM 907 CB ILE A 51 -5.496 -3.973 -1.266 1.00 0.00 C ATOM 908 CG1 ILE A 51 -5.067 -4.293 0.177 1.00 0.00 C ATOM 909 CG2 ILE A 51 -6.968 -3.582 -1.301 1.00 0.00 C ATOM 910 CD1 ILE A 51 -3.570 -4.383 0.387 1.00 0.00 C ATOM 0 H ILE A 51 -6.873 -4.623 -3.400 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.148 -5.156 -2.417 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.891 -3.133 -1.607 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.468 -3.526 0.839 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.519 -5.239 0.475 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.141 -2.754 -0.613 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.239 -3.277 -2.312 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.578 -4.435 -1.003 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.362 -4.612 1.432 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.161 -5.171 -0.245 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.108 -3.431 0.125 1.00 0.00 H new ATOM 922 N LYS A 52 -4.754 -7.385 -1.506 1.00 0.00 N ATOM 923 CA LYS A 52 -5.133 -8.732 -1.146 1.00 0.00 C ATOM 924 C LYS A 52 -5.232 -8.842 0.364 1.00 0.00 C ATOM 925 O LYS A 52 -4.228 -8.833 1.076 1.00 0.00 O ATOM 926 CB LYS A 52 -4.135 -9.743 -1.725 1.00 0.00 C ATOM 927 CG LYS A 52 -3.769 -9.470 -3.184 1.00 0.00 C ATOM 928 CD LYS A 52 -4.998 -9.308 -4.072 1.00 0.00 C ATOM 929 CE LYS A 52 -5.683 -10.636 -4.350 1.00 0.00 C ATOM 930 NZ LYS A 52 -6.942 -10.448 -5.118 1.00 0.00 N ATOM 0 H LYS A 52 -3.755 -7.237 -1.646 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.110 -8.963 -1.571 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.227 -9.731 -1.122 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.557 -10.745 -1.646 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.162 -8.566 -3.240 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.157 -10.289 -3.561 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.704 -8.630 -3.592 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.705 -8.848 -5.015 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.008 -11.285 -4.908 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.902 -11.138 -3.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.681 -11.069 -4.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.249 -9.457 -5.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.778 -10.686 -6.117 1.00 0.00 H new ATOM 944 N VAL A 53 -6.467 -8.933 0.831 1.00 0.00 N ATOM 945 CA VAL A 53 -6.772 -8.957 2.249 1.00 0.00 C ATOM 946 C VAL A 53 -7.849 -9.996 2.541 1.00 0.00 C ATOM 947 O VAL A 53 -9.012 -9.815 2.172 1.00 0.00 O ATOM 948 CB VAL A 53 -7.251 -7.562 2.739 1.00 0.00 C ATOM 949 CG1 VAL A 53 -7.743 -7.630 4.178 1.00 0.00 C ATOM 950 CG2 VAL A 53 -6.132 -6.538 2.618 1.00 0.00 C ATOM 0 H VAL A 53 -7.290 -8.993 0.231 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.859 -9.221 2.783 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.081 -7.252 2.105 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -8.073 -6.641 4.497 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -8.576 -8.329 4.245 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -6.933 -7.968 4.824 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.487 -5.568 2.966 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.283 -6.853 3.225 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.823 -6.459 1.576 1.00 0.00 H new ATOM 960 N HIS A 54 -7.455 -11.094 3.174 1.00 0.00 N ATOM 961 CA HIS A 54 -8.405 -12.128 3.568 1.00 0.00 C ATOM 962 C HIS A 54 -7.778 -13.066 4.595 1.00 0.00 C ATOM 963 O HIS A 54 -8.055 -12.972 5.790 1.00 0.00 O ATOM 964 CB HIS A 54 -8.890 -12.928 2.348 1.00 0.00 C ATOM 965 CG HIS A 54 -10.054 -13.828 2.641 1.00 0.00 C ATOM 966 ND1 HIS A 54 -11.363 -13.440 2.471 1.00 0.00 N ATOM 967 CD2 HIS A 54 -10.099 -15.103 3.091 1.00 0.00 C ATOM 968 CE1 HIS A 54 -12.162 -14.433 2.809 1.00 0.00 C ATOM 969 NE2 HIS A 54 -11.421 -15.458 3.188 1.00 0.00 N ATOM 0 H HIS A 54 -6.486 -11.292 3.425 1.00 0.00 H new ATOM 0 HA HIS A 54 -9.267 -11.636 4.019 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -9.170 -12.233 1.557 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -8.064 -13.529 1.967 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -9.250 -15.727 3.330 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -13.241 -14.412 2.781 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -11.773 -16.363 3.501 1.00 0.00 H new ATOM 978 N SER A 55 -6.911 -13.949 4.128 1.00 0.00 N ATOM 979 CA SER A 55 -6.301 -14.954 4.988 1.00 0.00 C ATOM 980 C SER A 55 -4.979 -14.446 5.560 1.00 0.00 C ATOM 981 O SER A 55 -3.986 -15.174 5.622 1.00 0.00 O ATOM 982 CB SER A 55 -6.073 -16.235 4.188 1.00 0.00 C ATOM 983 OG SER A 55 -7.244 -16.603 3.476 1.00 0.00 O ATOM 0 H SER A 55 -6.612 -13.991 3.154 1.00 0.00 H new ATOM 0 HA SER A 55 -6.972 -15.161 5.821 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.249 -16.091 3.490 1.00 0.00 H new ATOM 0 HB3 SER A 55 -5.783 -17.042 4.861 1.00 0.00 H new ATOM 0 HG SER A 55 -7.074 -17.425 2.970 1.00 0.00 H new ATOM 989 N ALA A 56 -4.974 -13.197 5.994 1.00 0.00 N ATOM 990 CA ALA A 56 -3.751 -12.565 6.454 1.00 0.00 C ATOM 991 C ALA A 56 -4.031 -11.563 7.566 1.00 0.00 C ATOM 992 O ALA A 56 -4.358 -10.403 7.308 1.00 0.00 O ATOM 993 CB ALA A 56 -3.061 -11.896 5.284 1.00 0.00 C ATOM 0 H ALA A 56 -5.802 -12.602 6.037 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.094 -13.330 6.868 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.142 -11.421 5.627 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.822 -12.643 4.527 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.721 -11.142 4.855 1.00 0.00 H new ATOM 999 N ASP A 57 -3.885 -12.007 8.805 1.00 0.00 N ATOM 1000 CA ASP A 57 -4.216 -11.161 9.946 1.00 0.00 C ATOM 1001 C ASP A 57 -2.962 -10.744 10.708 1.00 0.00 C ATOM 1002 O ASP A 57 -2.971 -10.616 11.930 1.00 0.00 O ATOM 1003 CB ASP A 57 -5.204 -11.874 10.876 1.00 0.00 C ATOM 1004 CG ASP A 57 -6.041 -10.899 11.687 1.00 0.00 C ATOM 1005 OD1 ASP A 57 -6.900 -10.217 11.085 1.00 0.00 O ATOM 1006 OD2 ASP A 57 -5.849 -10.805 12.916 1.00 0.00 O ATOM 0 H ASP A 57 -3.544 -12.937 9.047 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.690 -10.256 9.566 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.863 -12.509 10.284 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.655 -12.528 11.553 1.00 0.00 H new ATOM 1011 N ASN A 58 -1.881 -10.521 9.971 1.00 0.00 N ATOM 1012 CA ASN A 58 -0.629 -10.061 10.571 1.00 0.00 C ATOM 1013 C ASN A 58 0.320 -9.515 9.506 1.00 0.00 C ATOM 1014 O ASN A 58 1.126 -10.250 8.949 1.00 0.00 O ATOM 1015 CB ASN A 58 0.047 -11.193 11.362 1.00 0.00 C ATOM 1016 CG ASN A 58 1.253 -10.721 12.164 1.00 0.00 C ATOM 1017 OD1 ASN A 58 1.940 -9.772 11.791 1.00 0.00 O ATOM 1018 ND2 ASN A 58 1.507 -11.371 13.287 1.00 0.00 N ATOM 0 H ASN A 58 -1.843 -10.650 8.960 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.868 -9.253 11.262 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -0.681 -11.640 12.039 1.00 0.00 H new ATOM 0 HB3 ASN A 58 0.361 -11.975 10.670 1.00 0.00 H new ATOM 0 HD21 ASN A 58 2.293 -11.089 13.873 1.00 0.00 H new ATOM 0 HD22 ASN A 58 0.917 -12.154 13.567 1.00 0.00 H new ATOM 1025 N THR A 59 0.180 -8.219 9.226 1.00 0.00 N ATOM 1026 CA THR A 59 1.072 -7.452 8.332 1.00 0.00 C ATOM 1027 C THR A 59 1.130 -7.989 6.899 1.00 0.00 C ATOM 1028 O THR A 59 1.915 -7.504 6.092 1.00 0.00 O ATOM 1029 CB THR A 59 2.524 -7.373 8.863 1.00 0.00 C ATOM 1030 OG1 THR A 59 3.166 -8.654 8.776 1.00 0.00 O ATOM 1031 CG2 THR A 59 2.562 -6.898 10.298 1.00 0.00 C ATOM 0 H THR A 59 -0.572 -7.653 9.620 1.00 0.00 H new ATOM 0 HA THR A 59 0.621 -6.460 8.317 1.00 0.00 H new ATOM 0 HB THR A 59 3.056 -6.654 8.240 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.486 -9.359 8.735 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.596 -6.854 10.639 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.115 -5.906 10.365 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.002 -7.591 10.926 1.00 0.00 H new ATOM 1039 N ARG A 60 0.317 -8.971 6.573 1.00 0.00 N ATOM 1040 CA ARG A 60 0.414 -9.616 5.273 1.00 0.00 C ATOM 1041 C ARG A 60 -0.585 -9.017 4.294 1.00 0.00 C ATOM 1042 O ARG A 60 -1.788 -9.239 4.418 1.00 0.00 O ATOM 1043 CB ARG A 60 0.167 -11.114 5.419 1.00 0.00 C ATOM 1044 CG ARG A 60 1.088 -11.796 6.419 1.00 0.00 C ATOM 1045 CD ARG A 60 0.682 -13.245 6.647 1.00 0.00 C ATOM 1046 NE ARG A 60 0.531 -13.978 5.392 1.00 0.00 N ATOM 1047 CZ ARG A 60 -0.155 -15.114 5.271 1.00 0.00 C ATOM 1048 NH1 ARG A 60 -0.717 -15.677 6.334 1.00 0.00 N ATOM 1049 NH2 ARG A 60 -0.270 -15.695 4.085 1.00 0.00 N ATOM 0 H ARG A 60 -0.414 -9.341 7.181 1.00 0.00 H new ATOM 0 HA ARG A 60 1.418 -9.452 4.881 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.867 -11.274 5.725 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.289 -11.589 4.445 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.115 -11.757 6.056 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.064 -11.256 7.366 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.432 -13.738 7.266 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.257 -13.275 7.199 1.00 0.00 H new ATOM 0 HE ARG A 60 0.978 -13.597 4.558 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.625 -15.240 7.251 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.241 -16.547 6.234 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.167 -15.272 3.266 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.795 -16.565 3.992 1.00 0.00 H new ATOM 1063 N MET A 61 -0.089 -8.228 3.346 1.00 0.00 N ATOM 1064 CA MET A 61 -0.940 -7.644 2.315 1.00 0.00 C ATOM 1065 C MET A 61 -0.194 -7.616 0.981 1.00 0.00 C ATOM 1066 O MET A 61 1.030 -7.501 0.950 1.00 0.00 O ATOM 1067 CB MET A 61 -1.372 -6.220 2.706 1.00 0.00 C ATOM 1068 CG MET A 61 -1.805 -6.081 4.158 1.00 0.00 C ATOM 1069 SD MET A 61 -0.608 -5.191 5.176 1.00 0.00 S ATOM 1070 CE MET A 61 -0.921 -3.510 4.649 1.00 0.00 C ATOM 0 H MET A 61 0.897 -7.978 3.270 1.00 0.00 H new ATOM 0 HA MET A 61 -1.834 -8.259 2.215 1.00 0.00 H new ATOM 0 HB2 MET A 61 -0.545 -5.536 2.517 1.00 0.00 H new ATOM 0 HB3 MET A 61 -2.195 -5.911 2.061 1.00 0.00 H new ATOM 0 HG2 MET A 61 -2.762 -5.561 4.197 1.00 0.00 H new ATOM 0 HG3 MET A 61 -1.964 -7.074 4.580 1.00 0.00 H new ATOM 0 HE1 MET A 61 -0.393 -2.819 5.305 1.00 0.00 H new ATOM 0 HE2 MET A 61 -0.570 -3.378 3.625 1.00 0.00 H new ATOM 0 HE3 MET A 61 -1.991 -3.308 4.695 1.00 0.00 H new ATOM 1080 N GLU A 62 -0.925 -7.740 -0.116 1.00 0.00 N ATOM 1081 CA GLU A 62 -0.326 -7.680 -1.444 1.00 0.00 C ATOM 1082 C GLU A 62 -1.065 -6.681 -2.319 1.00 0.00 C ATOM 1083 O GLU A 62 -2.284 -6.560 -2.235 1.00 0.00 O ATOM 1084 CB GLU A 62 -0.331 -9.067 -2.102 1.00 0.00 C ATOM 1085 CG GLU A 62 0.018 -9.039 -3.585 1.00 0.00 C ATOM 1086 CD GLU A 62 0.157 -10.421 -4.187 1.00 0.00 C ATOM 1087 OE1 GLU A 62 -0.862 -11.136 -4.296 1.00 0.00 O ATOM 1088 OE2 GLU A 62 1.286 -10.794 -4.573 1.00 0.00 O ATOM 0 H GLU A 62 -1.935 -7.883 -0.115 1.00 0.00 H new ATOM 0 HA GLU A 62 0.707 -7.350 -1.337 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.380 -9.709 -1.582 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.317 -9.516 -1.977 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.754 -8.490 -4.124 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.952 -8.493 -3.723 1.00 0.00 H new ATOM 1095 N LEU A 63 -0.324 -5.947 -3.133 1.00 0.00 N ATOM 1096 CA LEU A 63 -0.920 -5.028 -4.080 1.00 0.00 C ATOM 1097 C LEU A 63 -0.638 -5.512 -5.495 1.00 0.00 C ATOM 1098 O LEU A 63 0.519 -5.676 -5.890 1.00 0.00 O ATOM 1099 CB LEU A 63 -0.359 -3.616 -3.882 1.00 0.00 C ATOM 1100 CG LEU A 63 -1.042 -2.763 -2.803 1.00 0.00 C ATOM 1101 CD1 LEU A 63 -2.481 -2.453 -3.189 1.00 0.00 C ATOM 1102 CD2 LEU A 63 -0.996 -3.460 -1.450 1.00 0.00 C ATOM 0 H LEU A 63 0.695 -5.972 -3.154 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.997 -4.993 -3.916 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.699 -3.699 -3.635 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.424 -3.085 -4.832 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.496 -1.823 -2.724 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.944 -1.848 -2.410 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.495 -1.905 -4.131 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.036 -3.384 -3.303 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.486 -2.836 -0.702 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.511 -4.418 -1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.042 -3.625 -1.161 1.00 0.00 H new ATOM 1114 N ILE A 64 -1.690 -5.754 -6.249 1.00 0.00 N ATOM 1115 CA ILE A 64 -1.549 -6.224 -7.615 1.00 0.00 C ATOM 1116 C ILE A 64 -2.266 -5.295 -8.594 1.00 0.00 C ATOM 1117 O ILE A 64 -3.488 -5.141 -8.558 1.00 0.00 O ATOM 1118 CB ILE A 64 -2.044 -7.693 -7.753 1.00 0.00 C ATOM 1119 CG1 ILE A 64 -2.368 -8.055 -9.208 1.00 0.00 C ATOM 1120 CG2 ILE A 64 -3.238 -7.965 -6.853 1.00 0.00 C ATOM 1121 CD1 ILE A 64 -1.161 -8.089 -10.116 1.00 0.00 C ATOM 0 H ILE A 64 -2.655 -5.633 -5.940 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.489 -6.209 -7.869 1.00 0.00 H new ATOM 0 HB ILE A 64 -1.223 -8.333 -7.429 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.854 -9.031 -9.229 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.085 -7.334 -9.600 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.557 -9.000 -6.975 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.957 -7.792 -5.814 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.057 -7.298 -7.124 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.473 -8.352 -11.127 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.686 -7.108 -10.127 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.452 -8.831 -9.750 1.00 0.00 H new ATOM 1133 N ILE A 65 -1.472 -4.679 -9.462 1.00 0.00 N ATOM 1134 CA ILE A 65 -1.958 -3.746 -10.458 1.00 0.00 C ATOM 1135 C ILE A 65 -1.375 -4.125 -11.820 1.00 0.00 C ATOM 1136 O ILE A 65 -0.158 -4.090 -12.010 1.00 0.00 O ATOM 1137 CB ILE A 65 -1.580 -2.285 -10.064 1.00 0.00 C ATOM 1138 CG1 ILE A 65 -1.424 -1.365 -11.279 1.00 0.00 C ATOM 1139 CG2 ILE A 65 -0.293 -2.271 -9.246 1.00 0.00 C ATOM 1140 CD1 ILE A 65 -2.646 -1.258 -12.160 1.00 0.00 C ATOM 0 H ILE A 65 -0.462 -4.818 -9.490 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.045 -3.797 -10.514 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.406 -1.901 -9.466 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.159 -0.367 -10.929 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.590 -1.723 -11.882 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.043 -1.244 -8.979 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -0.432 -2.858 -8.338 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.517 -2.700 -9.835 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.437 -0.585 -12.992 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.903 -2.244 -12.547 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.481 -0.867 -11.578 1.00 0.00 H new ATOM 1152 N PRO A 66 -2.241 -4.511 -12.772 1.00 0.00 N ATOM 1153 CA PRO A 66 -1.818 -4.977 -14.099 1.00 0.00 C ATOM 1154 C PRO A 66 -0.911 -3.980 -14.810 1.00 0.00 C ATOM 1155 O PRO A 66 -1.310 -2.852 -15.107 1.00 0.00 O ATOM 1156 CB PRO A 66 -3.134 -5.139 -14.861 1.00 0.00 C ATOM 1157 CG PRO A 66 -4.160 -5.344 -13.801 1.00 0.00 C ATOM 1158 CD PRO A 66 -3.709 -4.509 -12.638 1.00 0.00 C ATOM 0 HA PRO A 66 -1.232 -5.894 -14.034 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.355 -4.257 -15.461 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.095 -5.988 -15.544 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.147 -5.036 -14.146 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.233 -6.396 -13.524 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.116 -3.499 -12.685 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.027 -4.937 -11.687 1.00 0.00 H new ATOM 1166 N GLY A 67 0.315 -4.404 -15.059 1.00 0.00 N ATOM 1167 CA GLY A 67 1.277 -3.559 -15.726 1.00 0.00 C ATOM 1168 C GLY A 67 2.524 -3.383 -14.893 1.00 0.00 C ATOM 1169 O GLY A 67 3.617 -3.770 -15.299 1.00 0.00 O ATOM 0 H GLY A 67 0.664 -5.329 -14.808 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.540 -3.994 -16.690 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.831 -2.585 -15.927 1.00 0.00 H new ATOM 1173 N GLU A 68 2.350 -2.818 -13.710 1.00 0.00 N ATOM 1174 CA GLU A 68 3.463 -2.587 -12.803 1.00 0.00 C ATOM 1175 C GLU A 68 3.559 -3.736 -11.805 1.00 0.00 C ATOM 1176 O GLU A 68 4.496 -4.533 -11.863 1.00 0.00 O ATOM 1177 CB GLU A 68 3.280 -1.244 -12.093 1.00 0.00 C ATOM 1178 CG GLU A 68 3.077 -0.096 -13.068 1.00 0.00 C ATOM 1179 CD GLU A 68 3.016 1.259 -12.395 1.00 0.00 C ATOM 1180 OE1 GLU A 68 4.085 1.865 -12.169 1.00 0.00 O ATOM 1181 OE2 GLU A 68 1.897 1.732 -12.112 1.00 0.00 O ATOM 0 H GLU A 68 1.445 -2.510 -13.354 1.00 0.00 H new ATOM 0 HA GLU A 68 4.396 -2.548 -13.365 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.422 -1.304 -11.423 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.154 -1.041 -11.474 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.890 -0.097 -13.794 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.154 -0.260 -13.624 1.00 0.00 H new ATOM 1188 N GLN A 69 2.561 -3.812 -10.918 1.00 0.00 N ATOM 1189 CA GLN A 69 2.366 -4.929 -9.975 1.00 0.00 C ATOM 1190 C GLN A 69 3.647 -5.348 -9.240 1.00 0.00 C ATOM 1191 O GLN A 69 4.629 -4.605 -9.187 1.00 0.00 O ATOM 1192 CB GLN A 69 1.724 -6.134 -10.692 1.00 0.00 C ATOM 1193 CG GLN A 69 2.594 -6.798 -11.752 1.00 0.00 C ATOM 1194 CD GLN A 69 1.843 -7.827 -12.578 1.00 0.00 C ATOM 1195 OE1 GLN A 69 0.640 -7.705 -12.806 1.00 0.00 O ATOM 1196 NE2 GLN A 69 2.548 -8.850 -13.032 1.00 0.00 N ATOM 0 H GLN A 69 1.850 -3.086 -10.830 1.00 0.00 H new ATOM 0 HA GLN A 69 1.688 -4.563 -9.204 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.457 -6.881 -9.944 1.00 0.00 H new ATOM 0 HB3 GLN A 69 0.796 -5.805 -11.160 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.997 -6.032 -12.415 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.443 -7.279 -11.267 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.544 -8.916 -12.822 1.00 0.00 H new ATOM 0 HE22 GLN A 69 2.096 -9.572 -13.592 1.00 0.00 H new ATOM 1205 N HIS A 70 3.585 -6.527 -8.620 1.00 0.00 N ATOM 1206 CA HIS A 70 4.702 -7.101 -7.878 1.00 0.00 C ATOM 1207 C HIS A 70 4.983 -6.267 -6.630 1.00 0.00 C ATOM 1208 O HIS A 70 6.125 -6.139 -6.184 1.00 0.00 O ATOM 1209 CB HIS A 70 5.945 -7.211 -8.775 1.00 0.00 C ATOM 1210 CG HIS A 70 6.950 -8.223 -8.310 1.00 0.00 C ATOM 1211 ND1 HIS A 70 6.790 -9.576 -8.509 1.00 0.00 N ATOM 1212 CD2 HIS A 70 8.133 -8.079 -7.665 1.00 0.00 C ATOM 1213 CE1 HIS A 70 7.825 -10.221 -8.007 1.00 0.00 C ATOM 1214 NE2 HIS A 70 8.658 -9.338 -7.489 1.00 0.00 N ATOM 0 H HIS A 70 2.750 -7.113 -8.620 1.00 0.00 H new ATOM 0 HA HIS A 70 4.438 -8.109 -7.558 1.00 0.00 H new ATOM 0 HB2 HIS A 70 5.628 -7.468 -9.786 1.00 0.00 H new ATOM 0 HB3 HIS A 70 6.427 -6.235 -8.830 1.00 0.00 H new ATOM 0 HD2 HIS A 70 8.580 -7.149 -7.348 1.00 0.00 H new ATOM 0 HE1 HIS A 70 7.967 -11.292 -8.018 1.00 0.00 H new ATOM 0 HE2 HIS A 70 9.545 -9.554 -7.033 1.00 0.00 H new ATOM 1223 N PHE A 71 3.921 -5.702 -6.067 1.00 0.00 N ATOM 1224 CA PHE A 71 4.034 -4.889 -4.865 1.00 0.00 C ATOM 1225 C PHE A 71 3.625 -5.682 -3.632 1.00 0.00 C ATOM 1226 O PHE A 71 2.460 -6.050 -3.472 1.00 0.00 O ATOM 1227 CB PHE A 71 3.170 -3.625 -4.967 1.00 0.00 C ATOM 1228 CG PHE A 71 3.697 -2.588 -5.919 1.00 0.00 C ATOM 1229 CD1 PHE A 71 4.639 -1.663 -5.496 1.00 0.00 C ATOM 1230 CD2 PHE A 71 3.250 -2.532 -7.228 1.00 0.00 C ATOM 1231 CE1 PHE A 71 5.126 -0.704 -6.362 1.00 0.00 C ATOM 1232 CE2 PHE A 71 3.734 -1.575 -8.100 1.00 0.00 C ATOM 1233 CZ PHE A 71 4.674 -0.660 -7.666 1.00 0.00 C ATOM 0 H PHE A 71 2.971 -5.793 -6.426 1.00 0.00 H new ATOM 0 HA PHE A 71 5.079 -4.595 -4.771 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.166 -3.910 -5.279 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.081 -3.179 -3.976 1.00 0.00 H new ATOM 0 HD1 PHE A 71 4.996 -1.693 -4.477 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.515 -3.244 -7.572 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.860 0.011 -6.020 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.378 -1.542 -9.119 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.055 0.088 -8.345 1.00 0.00 H new ATOM 1243 N TYR A 72 4.588 -5.950 -2.769 1.00 0.00 N ATOM 1244 CA TYR A 72 4.304 -6.576 -1.491 1.00 0.00 C ATOM 1245 C TYR A 72 4.134 -5.492 -0.439 1.00 0.00 C ATOM 1246 O TYR A 72 4.851 -4.492 -0.453 1.00 0.00 O ATOM 1247 CB TYR A 72 5.431 -7.543 -1.099 1.00 0.00 C ATOM 1248 CG TYR A 72 5.198 -8.277 0.208 1.00 0.00 C ATOM 1249 CD1 TYR A 72 4.234 -9.274 0.303 1.00 0.00 C ATOM 1250 CD2 TYR A 72 5.943 -7.973 1.344 1.00 0.00 C ATOM 1251 CE1 TYR A 72 4.017 -9.949 1.490 1.00 0.00 C ATOM 1252 CE2 TYR A 72 5.733 -8.646 2.536 1.00 0.00 C ATOM 1253 CZ TYR A 72 4.768 -9.633 2.604 1.00 0.00 C ATOM 1254 OH TYR A 72 4.556 -10.316 3.788 1.00 0.00 O ATOM 0 H TYR A 72 5.574 -5.744 -2.930 1.00 0.00 H new ATOM 0 HA TYR A 72 3.384 -7.155 -1.566 1.00 0.00 H new ATOM 0 HB2 TYR A 72 5.559 -8.276 -1.896 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.364 -6.985 -1.027 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.644 -9.526 -0.566 1.00 0.00 H new ATOM 0 HD2 TYR A 72 6.696 -7.201 1.295 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.263 -10.720 1.545 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.321 -8.401 3.408 1.00 0.00 H new ATOM 0 HH TYR A 72 4.250 -11.226 3.591 1.00 0.00 H new ATOM 1264 N MET A 73 3.179 -5.681 0.452 1.00 0.00 N ATOM 1265 CA MET A 73 2.919 -4.713 1.500 1.00 0.00 C ATOM 1266 C MET A 73 3.072 -5.396 2.849 1.00 0.00 C ATOM 1267 O MET A 73 2.605 -6.521 3.034 1.00 0.00 O ATOM 1268 CB MET A 73 1.496 -4.177 1.373 1.00 0.00 C ATOM 1269 CG MET A 73 1.352 -2.685 1.626 1.00 0.00 C ATOM 1270 SD MET A 73 1.972 -1.680 0.262 1.00 0.00 S ATOM 1271 CE MET A 73 1.354 -0.061 0.724 1.00 0.00 C ATOM 0 H MET A 73 2.569 -6.498 0.471 1.00 0.00 H new ATOM 0 HA MET A 73 3.624 -3.886 1.412 1.00 0.00 H new ATOM 0 HB2 MET A 73 1.127 -4.399 0.372 1.00 0.00 H new ATOM 0 HB3 MET A 73 0.857 -4.714 2.074 1.00 0.00 H new ATOM 0 HG2 MET A 73 0.301 -2.450 1.796 1.00 0.00 H new ATOM 0 HG3 MET A 73 1.889 -2.422 2.538 1.00 0.00 H new ATOM 0 HE1 MET A 73 0.826 0.382 -0.121 1.00 0.00 H new ATOM 0 HE2 MET A 73 0.671 -0.159 1.568 1.00 0.00 H new ATOM 0 HE3 MET A 73 2.189 0.580 1.006 1.00 0.00 H new ATOM 1281 N LYS A 74 3.715 -4.732 3.790 1.00 0.00 N ATOM 1282 CA LYS A 74 3.851 -5.283 5.125 1.00 0.00 C ATOM 1283 C LYS A 74 4.001 -4.153 6.123 1.00 0.00 C ATOM 1284 O LYS A 74 4.884 -3.311 5.988 1.00 0.00 O ATOM 1285 CB LYS A 74 5.053 -6.222 5.188 1.00 0.00 C ATOM 1286 CG LYS A 74 5.005 -7.221 6.328 1.00 0.00 C ATOM 1287 CD LYS A 74 6.152 -8.214 6.239 1.00 0.00 C ATOM 1288 CE LYS A 74 5.927 -9.404 7.153 1.00 0.00 C ATOM 1289 NZ LYS A 74 4.621 -10.057 6.877 1.00 0.00 N ATOM 0 H LYS A 74 4.148 -3.818 3.657 1.00 0.00 H new ATOM 0 HA LYS A 74 2.959 -5.858 5.373 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.124 -6.766 4.246 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.961 -5.626 5.281 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.052 -6.692 7.280 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.055 -7.756 6.306 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.258 -8.558 5.210 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.085 -7.719 6.507 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.733 -10.126 7.019 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.961 -9.078 8.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.656 -11.048 7.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 3.868 -9.558 7.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.424 -10.022 5.856 1.00 0.00 H new ATOM 1303 N ALA A 75 3.112 -4.115 7.091 1.00 0.00 N ATOM 1304 CA ALA A 75 3.106 -3.050 8.073 1.00 0.00 C ATOM 1305 C ALA A 75 4.010 -3.376 9.255 1.00 0.00 C ATOM 1306 O ALA A 75 4.559 -4.472 9.332 1.00 0.00 O ATOM 1307 CB ALA A 75 1.688 -2.797 8.541 1.00 0.00 C ATOM 0 H ALA A 75 2.380 -4.813 7.220 1.00 0.00 H new ATOM 0 HA ALA A 75 3.497 -2.147 7.603 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.686 -1.995 9.280 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.070 -2.508 7.691 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.286 -3.705 8.990 1.00 0.00 H new ATOM 1313 N VAL A 76 4.152 -2.421 10.167 1.00 0.00 N ATOM 1314 CA VAL A 76 4.999 -2.595 11.346 1.00 0.00 C ATOM 1315 C VAL A 76 4.569 -3.822 12.145 1.00 0.00 C ATOM 1316 O VAL A 76 5.368 -4.720 12.410 1.00 0.00 O ATOM 1317 CB VAL A 76 4.951 -1.347 12.254 1.00 0.00 C ATOM 1318 CG1 VAL A 76 5.826 -1.531 13.486 1.00 0.00 C ATOM 1319 CG2 VAL A 76 5.373 -0.109 11.480 1.00 0.00 C ATOM 0 H VAL A 76 3.690 -1.513 10.114 1.00 0.00 H new ATOM 0 HA VAL A 76 6.022 -2.736 10.996 1.00 0.00 H new ATOM 0 HB VAL A 76 3.922 -1.214 12.589 1.00 0.00 H new ATOM 0 HG11 VAL A 76 5.773 -0.637 14.107 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.475 -2.391 14.057 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.858 -1.698 13.178 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.333 0.761 12.135 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.391 -0.240 11.112 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.698 0.041 10.637 1.00 0.00 H new ATOM 1329 N ASN A 77 3.299 -3.855 12.522 1.00 0.00 N ATOM 1330 CA ASN A 77 2.743 -5.001 13.230 1.00 0.00 C ATOM 1331 C ASN A 77 1.331 -5.299 12.728 1.00 0.00 C ATOM 1332 O ASN A 77 0.797 -4.550 11.906 1.00 0.00 O ATOM 1333 CB ASN A 77 2.737 -4.778 14.749 1.00 0.00 C ATOM 1334 CG ASN A 77 1.950 -3.549 15.154 1.00 0.00 C ATOM 1335 OD1 ASN A 77 0.729 -3.589 15.243 1.00 0.00 O ATOM 1336 ND2 ASN A 77 2.647 -2.458 15.426 1.00 0.00 N ATOM 0 H ASN A 77 2.633 -3.102 12.350 1.00 0.00 H new ATOM 0 HA ASN A 77 3.381 -5.861 13.026 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.313 -5.654 15.239 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.764 -4.680 15.102 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.168 -1.608 15.723 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.663 -2.467 15.339 1.00 0.00 H new ATOM 1343 N ALA A 78 0.742 -6.396 13.197 1.00 0.00 N ATOM 1344 CA ALA A 78 -0.579 -6.832 12.731 1.00 0.00 C ATOM 1345 C ALA A 78 -1.620 -5.714 12.850 1.00 0.00 C ATOM 1346 O ALA A 78 -2.450 -5.530 11.956 1.00 0.00 O ATOM 1347 CB ALA A 78 -1.031 -8.052 13.516 1.00 0.00 C ATOM 0 H ALA A 78 1.158 -7.004 13.903 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.491 -7.091 11.676 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.013 -8.369 13.163 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.316 -8.862 13.373 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.090 -7.802 14.575 1.00 0.00 H new ATOM 1353 N ALA A 79 -1.566 -4.969 13.952 1.00 0.00 N ATOM 1354 CA ALA A 79 -2.466 -3.845 14.176 1.00 0.00 C ATOM 1355 C ALA A 79 -2.250 -2.754 13.138 1.00 0.00 C ATOM 1356 O ALA A 79 -3.205 -2.198 12.598 1.00 0.00 O ATOM 1357 CB ALA A 79 -2.252 -3.285 15.564 1.00 0.00 C ATOM 0 H ALA A 79 -0.901 -5.128 14.709 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.491 -4.205 14.083 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.928 -2.445 15.726 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.453 -4.060 16.304 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.221 -2.946 15.665 1.00 0.00 H new ATOM 1363 N GLU A 80 -0.988 -2.457 12.857 1.00 0.00 N ATOM 1364 CA GLU A 80 -0.646 -1.462 11.849 1.00 0.00 C ATOM 1365 C GLU A 80 -1.139 -1.896 10.475 1.00 0.00 C ATOM 1366 O GLU A 80 -1.541 -1.072 9.655 1.00 0.00 O ATOM 1367 CB GLU A 80 0.856 -1.214 11.834 1.00 0.00 C ATOM 1368 CG GLU A 80 1.326 -0.466 13.062 1.00 0.00 C ATOM 1369 CD GLU A 80 0.583 0.840 13.257 1.00 0.00 C ATOM 1370 OE1 GLU A 80 0.789 1.773 12.458 1.00 0.00 O ATOM 1371 OE2 GLU A 80 -0.220 0.928 14.205 1.00 0.00 O ATOM 0 H GLU A 80 -0.185 -2.890 13.312 1.00 0.00 H new ATOM 0 HA GLU A 80 -1.144 -0.527 12.105 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.379 -2.168 11.770 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.119 -0.646 10.942 1.00 0.00 H new ATOM 0 HG2 GLU A 80 1.190 -1.094 13.942 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.394 -0.265 12.976 1.00 0.00 H new ATOM 1378 N ARG A 81 -1.105 -3.203 10.242 1.00 0.00 N ATOM 1379 CA ARG A 81 -1.688 -3.789 9.042 1.00 0.00 C ATOM 1380 C ARG A 81 -3.162 -3.416 8.952 1.00 0.00 C ATOM 1381 O ARG A 81 -3.656 -3.056 7.889 1.00 0.00 O ATOM 1382 CB ARG A 81 -1.547 -5.316 9.072 1.00 0.00 C ATOM 1383 CG ARG A 81 -2.428 -6.031 8.059 1.00 0.00 C ATOM 1384 CD ARG A 81 -2.983 -7.329 8.622 1.00 0.00 C ATOM 1385 NE ARG A 81 -3.661 -7.120 9.906 1.00 0.00 N ATOM 1386 CZ ARG A 81 -4.842 -7.655 10.227 1.00 0.00 C ATOM 1387 NH1 ARG A 81 -5.500 -8.403 9.354 1.00 0.00 N ATOM 1388 NH2 ARG A 81 -5.366 -7.438 11.428 1.00 0.00 N ATOM 0 H ARG A 81 -0.677 -3.880 10.873 1.00 0.00 H new ATOM 0 HA ARG A 81 -1.159 -3.402 8.171 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -0.506 -5.580 8.885 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.792 -5.675 10.071 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -3.251 -5.379 7.766 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.852 -6.241 7.158 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -3.682 -7.765 7.909 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.172 -8.045 8.752 1.00 0.00 H new ATOM 0 HE ARG A 81 -3.201 -6.528 10.598 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.105 -8.574 8.429 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.401 -8.808 9.607 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -4.866 -6.862 12.106 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -6.268 -7.847 11.672 1.00 0.00 H new ATOM 1402 N GLN A 82 -3.847 -3.484 10.090 1.00 0.00 N ATOM 1403 CA GLN A 82 -5.279 -3.216 10.152 1.00 0.00 C ATOM 1404 C GLN A 82 -5.577 -1.775 9.746 1.00 0.00 C ATOM 1405 O GLN A 82 -6.606 -1.503 9.132 1.00 0.00 O ATOM 1406 CB GLN A 82 -5.809 -3.493 11.566 1.00 0.00 C ATOM 1407 CG GLN A 82 -7.318 -3.352 11.708 1.00 0.00 C ATOM 1408 CD GLN A 82 -8.078 -4.370 10.884 1.00 0.00 C ATOM 1409 OE1 GLN A 82 -8.357 -5.473 11.345 1.00 0.00 O ATOM 1410 NE2 GLN A 82 -8.417 -4.006 9.659 1.00 0.00 N ATOM 0 H GLN A 82 -3.428 -3.725 10.988 1.00 0.00 H new ATOM 0 HA GLN A 82 -5.785 -3.880 9.451 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.521 -4.503 11.858 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -5.325 -2.809 12.263 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.592 -3.462 12.757 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -7.616 -2.349 11.404 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -8.166 -3.080 9.314 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -8.930 -4.652 9.059 1.00 0.00 H new ATOM 1419 N ARG A 83 -4.667 -0.861 10.073 1.00 0.00 N ATOM 1420 CA ARG A 83 -4.837 0.546 9.717 1.00 0.00 C ATOM 1421 C ARG A 83 -4.833 0.717 8.202 1.00 0.00 C ATOM 1422 O ARG A 83 -5.693 1.396 7.633 1.00 0.00 O ATOM 1423 CB ARG A 83 -3.713 1.389 10.317 1.00 0.00 C ATOM 1424 CG ARG A 83 -3.653 1.362 11.834 1.00 0.00 C ATOM 1425 CD ARG A 83 -2.491 2.195 12.353 1.00 0.00 C ATOM 1426 NE ARG A 83 -2.701 3.632 12.164 1.00 0.00 N ATOM 1427 CZ ARG A 83 -1.735 4.547 12.274 1.00 0.00 C ATOM 1428 NH1 ARG A 83 -0.480 4.174 12.505 1.00 0.00 N ATOM 1429 NH2 ARG A 83 -2.026 5.839 12.138 1.00 0.00 N ATOM 0 H ARG A 83 -3.807 -1.068 10.582 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.794 0.881 10.117 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.760 1.038 9.921 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.834 2.421 9.988 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.588 1.742 12.244 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -3.549 0.333 12.178 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -2.346 1.989 13.413 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.576 1.895 11.842 1.00 0.00 H new ATOM 0 HE ARG A 83 -3.642 3.953 11.935 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.251 3.184 12.599 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.254 4.877 12.588 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -2.986 6.129 11.950 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -1.289 6.539 12.222 1.00 0.00 H new ATOM 1443 N TRP A 84 -3.878 0.067 7.551 1.00 0.00 N ATOM 1444 CA TRP A 84 -3.811 0.076 6.096 1.00 0.00 C ATOM 1445 C TRP A 84 -4.993 -0.676 5.517 1.00 0.00 C ATOM 1446 O TRP A 84 -5.535 -0.302 4.489 1.00 0.00 O ATOM 1447 CB TRP A 84 -2.502 -0.539 5.599 1.00 0.00 C ATOM 1448 CG TRP A 84 -1.322 0.340 5.848 1.00 0.00 C ATOM 1449 CD1 TRP A 84 -0.432 0.243 6.874 1.00 0.00 C ATOM 1450 CD2 TRP A 84 -0.911 1.464 5.059 1.00 0.00 C ATOM 1451 NE1 TRP A 84 0.497 1.251 6.788 1.00 0.00 N ATOM 1452 CE2 TRP A 84 0.224 2.012 5.680 1.00 0.00 C ATOM 1453 CE3 TRP A 84 -1.397 2.065 3.891 1.00 0.00 C ATOM 1454 CZ2 TRP A 84 0.881 3.130 5.172 1.00 0.00 C ATOM 1455 CZ3 TRP A 84 -0.741 3.171 3.388 1.00 0.00 C ATOM 1456 CH2 TRP A 84 0.385 3.694 4.029 1.00 0.00 C ATOM 0 H TRP A 84 -3.141 -0.472 8.006 1.00 0.00 H new ATOM 0 HA TRP A 84 -3.846 1.113 5.761 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -2.346 -1.498 6.092 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -2.582 -0.739 4.531 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -0.453 -0.515 7.643 1.00 0.00 H new ATOM 0 HE1 TRP A 84 1.264 1.408 7.441 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -2.270 1.670 3.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 1.752 3.538 5.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -1.104 3.639 2.485 1.00 0.00 H new ATOM 0 HH2 TRP A 84 0.874 4.562 3.613 1.00 0.00 H new ATOM 1467 N LEU A 85 -5.390 -1.734 6.201 1.00 0.00 N ATOM 1468 CA LEU A 85 -6.547 -2.521 5.808 1.00 0.00 C ATOM 1469 C LEU A 85 -7.822 -1.690 5.825 1.00 0.00 C ATOM 1470 O LEU A 85 -8.737 -1.946 5.057 1.00 0.00 O ATOM 1471 CB LEU A 85 -6.687 -3.750 6.699 1.00 0.00 C ATOM 1472 CG LEU A 85 -6.151 -5.047 6.102 1.00 0.00 C ATOM 1473 CD1 LEU A 85 -4.732 -4.863 5.587 1.00 0.00 C ATOM 1474 CD2 LEU A 85 -6.197 -6.145 7.143 1.00 0.00 C ATOM 0 H LEU A 85 -4.922 -2.072 7.042 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.389 -2.854 4.782 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -6.168 -3.559 7.639 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -7.741 -3.887 6.939 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.780 -5.328 5.257 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.373 -5.802 5.166 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.722 -4.093 4.816 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.083 -4.562 6.409 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.813 -7.070 6.713 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.584 -5.861 7.999 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.227 -6.295 7.468 1.00 0.00 H new ATOM 1486 N VAL A 86 -7.903 -0.723 6.724 1.00 0.00 N ATOM 1487 CA VAL A 86 -9.041 0.177 6.752 1.00 0.00 C ATOM 1488 C VAL A 86 -9.109 1.015 5.473 1.00 0.00 C ATOM 1489 O VAL A 86 -10.147 1.055 4.810 1.00 0.00 O ATOM 1490 CB VAL A 86 -8.973 1.109 7.976 1.00 0.00 C ATOM 1491 CG1 VAL A 86 -10.019 2.209 7.893 1.00 0.00 C ATOM 1492 CG2 VAL A 86 -9.143 0.314 9.258 1.00 0.00 C ATOM 0 H VAL A 86 -7.199 -0.543 7.439 1.00 0.00 H new ATOM 0 HA VAL A 86 -9.941 -0.434 6.821 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.990 1.581 7.982 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -9.944 2.849 8.772 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -9.851 2.804 6.995 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -11.013 1.764 7.852 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -9.092 0.988 10.113 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -10.110 -0.189 9.249 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.349 -0.429 9.334 1.00 0.00 H new ATOM 1502 N ALA A 87 -8.003 1.665 5.122 1.00 0.00 N ATOM 1503 CA ALA A 87 -7.978 2.527 3.941 1.00 0.00 C ATOM 1504 C ALA A 87 -7.988 1.714 2.643 1.00 0.00 C ATOM 1505 O ALA A 87 -8.818 1.935 1.760 1.00 0.00 O ATOM 1506 CB ALA A 87 -6.754 3.430 3.988 1.00 0.00 C ATOM 0 H ALA A 87 -7.121 1.614 5.631 1.00 0.00 H new ATOM 0 HA ALA A 87 -8.881 3.137 3.951 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -6.740 4.070 3.106 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.792 4.049 4.885 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.852 2.819 4.007 1.00 0.00 H new ATOM 1512 N LEU A 88 -7.082 0.748 2.560 1.00 0.00 N ATOM 1513 CA LEU A 88 -6.933 -0.088 1.372 1.00 0.00 C ATOM 1514 C LEU A 88 -8.095 -1.066 1.243 1.00 0.00 C ATOM 1515 O LEU A 88 -8.647 -1.258 0.161 1.00 0.00 O ATOM 1516 CB LEU A 88 -5.609 -0.852 1.438 1.00 0.00 C ATOM 1517 CG LEU A 88 -4.349 0.022 1.442 1.00 0.00 C ATOM 1518 CD1 LEU A 88 -3.159 -0.759 1.980 1.00 0.00 C ATOM 1519 CD2 LEU A 88 -4.049 0.536 0.043 1.00 0.00 C ATOM 0 H LEU A 88 -6.431 0.521 3.311 1.00 0.00 H new ATOM 0 HA LEU A 88 -6.934 0.558 0.494 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.608 -1.467 2.338 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.557 -1.531 0.587 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.530 0.876 2.095 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.274 -0.123 1.975 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.367 -1.083 3.000 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.982 -1.631 1.351 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.151 1.154 0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.891 -0.308 -0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.890 1.131 -0.314 1.00 0.00 H new ATOM 1531 N GLY A 89 -8.467 -1.676 2.360 1.00 0.00 N ATOM 1532 CA GLY A 89 -9.541 -2.654 2.367 1.00 0.00 C ATOM 1533 C GLY A 89 -10.878 -2.046 2.001 1.00 0.00 C ATOM 1534 O GLY A 89 -11.743 -2.725 1.451 1.00 0.00 O ATOM 0 H GLY A 89 -8.040 -1.510 3.271 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -9.305 -3.454 1.665 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.610 -3.107 3.356 1.00 0.00 H new ATOM 1538 N SER A 90 -11.053 -0.766 2.319 1.00 0.00 N ATOM 1539 CA SER A 90 -12.261 -0.051 1.943 1.00 0.00 C ATOM 1540 C SER A 90 -12.403 -0.034 0.424 1.00 0.00 C ATOM 1541 O SER A 90 -13.512 -0.047 -0.107 1.00 0.00 O ATOM 1542 CB SER A 90 -12.231 1.378 2.492 1.00 0.00 C ATOM 1543 OG SER A 90 -13.458 2.047 2.248 1.00 0.00 O ATOM 0 H SER A 90 -10.373 -0.207 2.835 1.00 0.00 H new ATOM 0 HA SER A 90 -13.121 -0.565 2.372 1.00 0.00 H new ATOM 0 HB2 SER A 90 -12.033 1.355 3.564 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.414 1.931 2.029 1.00 0.00 H new ATOM 0 HG SER A 90 -13.293 3.008 2.150 1.00 0.00 H new ATOM 1549 N SER A 91 -11.268 -0.007 -0.264 1.00 0.00 N ATOM 1550 CA SER A 91 -11.251 -0.071 -1.714 1.00 0.00 C ATOM 1551 C SER A 91 -11.657 -1.463 -2.191 1.00 0.00 C ATOM 1552 O SER A 91 -12.356 -1.600 -3.192 1.00 0.00 O ATOM 1553 CB SER A 91 -9.865 0.299 -2.250 1.00 0.00 C ATOM 1554 OG SER A 91 -9.868 0.409 -3.664 1.00 0.00 O ATOM 0 H SER A 91 -10.345 0.059 0.165 1.00 0.00 H new ATOM 0 HA SER A 91 -11.972 0.649 -2.101 1.00 0.00 H new ATOM 0 HB2 SER A 91 -9.544 1.244 -1.811 1.00 0.00 H new ATOM 0 HB3 SER A 91 -9.142 -0.457 -1.944 1.00 0.00 H new ATOM 0 HG SER A 91 -9.361 -0.335 -4.051 1.00 0.00 H new ATOM 1560 N LYS A 92 -11.212 -2.500 -1.475 1.00 0.00 N ATOM 1561 CA LYS A 92 -11.565 -3.860 -1.810 1.00 0.00 C ATOM 1562 C LYS A 92 -13.068 -4.105 -1.675 1.00 0.00 C ATOM 1563 O LYS A 92 -13.607 -5.046 -2.263 1.00 0.00 O ATOM 1564 CB LYS A 92 -10.806 -4.814 -0.907 1.00 0.00 C ATOM 1565 CG LYS A 92 -10.535 -6.132 -1.562 1.00 0.00 C ATOM 1566 CD LYS A 92 -9.790 -7.070 -0.642 1.00 0.00 C ATOM 1567 CE LYS A 92 -10.125 -8.506 -0.965 1.00 0.00 C ATOM 1568 NZ LYS A 92 -9.905 -8.832 -2.403 1.00 0.00 N ATOM 0 H LYS A 92 -10.606 -2.411 -0.660 1.00 0.00 H new ATOM 0 HA LYS A 92 -11.294 -4.033 -2.851 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -9.861 -4.357 -0.614 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -11.378 -4.977 0.006 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -11.477 -6.590 -1.863 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -9.953 -5.974 -2.470 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -8.716 -6.910 -0.742 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -10.050 -6.854 0.394 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -9.515 -9.166 -0.348 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -11.166 -8.700 -0.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -9.950 -9.862 -2.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -10.641 -8.376 -2.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -8.970 -8.486 -2.698 1.00 0.00 H new ATOM 1582 N ALA A 93 -13.734 -3.276 -0.883 1.00 0.00 N ATOM 1583 CA ALA A 93 -15.172 -3.364 -0.724 1.00 0.00 C ATOM 1584 C ALA A 93 -15.886 -2.909 -1.994 1.00 0.00 C ATOM 1585 O ALA A 93 -16.059 -1.713 -2.224 1.00 0.00 O ATOM 1586 CB ALA A 93 -15.614 -2.535 0.469 1.00 0.00 C ATOM 0 H ALA A 93 -13.295 -2.533 -0.340 1.00 0.00 H new ATOM 0 HA ALA A 93 -15.440 -4.405 -0.544 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -16.696 -2.607 0.581 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -15.130 -2.909 1.371 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -15.334 -1.493 0.312 1.00 0.00 H new ATOM 1592 N SER A 94 -16.290 -3.885 -2.810 1.00 0.00 N ATOM 1593 CA SER A 94 -16.988 -3.643 -4.076 1.00 0.00 C ATOM 1594 C SER A 94 -16.269 -2.605 -4.942 1.00 0.00 C ATOM 1595 O SER A 94 -16.702 -1.457 -5.070 1.00 0.00 O ATOM 1596 CB SER A 94 -18.460 -3.260 -3.832 1.00 0.00 C ATOM 1597 OG SER A 94 -18.600 -2.304 -2.794 1.00 0.00 O ATOM 0 H SER A 94 -16.141 -4.874 -2.610 1.00 0.00 H new ATOM 0 HA SER A 94 -16.976 -4.578 -4.636 1.00 0.00 H new ATOM 0 HB2 SER A 94 -18.887 -2.860 -4.752 1.00 0.00 H new ATOM 0 HB3 SER A 94 -19.029 -4.154 -3.579 1.00 0.00 H new ATOM 0 HG SER A 94 -17.806 -1.730 -2.768 1.00 0.00 H new ATOM 1603 N LEU A 95 -15.173 -3.036 -5.547 1.00 0.00 N ATOM 1604 CA LEU A 95 -14.352 -2.169 -6.376 1.00 0.00 C ATOM 1605 C LEU A 95 -14.782 -2.282 -7.837 1.00 0.00 C ATOM 1606 O LEU A 95 -15.200 -3.350 -8.288 1.00 0.00 O ATOM 1607 CB LEU A 95 -12.882 -2.556 -6.202 1.00 0.00 C ATOM 1608 CG LEU A 95 -11.859 -1.549 -6.732 1.00 0.00 C ATOM 1609 CD1 LEU A 95 -12.164 -0.147 -6.223 1.00 0.00 C ATOM 1610 CD2 LEU A 95 -10.465 -1.965 -6.304 1.00 0.00 C ATOM 0 H LEU A 95 -14.829 -3.994 -5.477 1.00 0.00 H new ATOM 0 HA LEU A 95 -14.481 -1.131 -6.069 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -12.691 -2.714 -5.141 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -12.716 -3.511 -6.701 1.00 0.00 H new ATOM 0 HG LEU A 95 -11.916 -1.536 -7.820 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -11.423 0.551 -6.613 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -13.157 0.153 -6.557 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -12.130 -0.140 -5.134 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -9.738 -1.246 -6.683 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -10.412 -1.995 -5.216 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -10.241 -2.953 -6.705 1.00 0.00 H new ATOM 1622 N THR A 96 -14.689 -1.176 -8.562 1.00 0.00 N ATOM 1623 CA THR A 96 -15.190 -1.098 -9.930 1.00 0.00 C ATOM 1624 C THR A 96 -14.283 -1.793 -10.938 1.00 0.00 C ATOM 1625 O THR A 96 -13.113 -2.049 -10.657 1.00 0.00 O ATOM 1626 CB THR A 96 -15.354 0.367 -10.353 1.00 0.00 C ATOM 1627 OG1 THR A 96 -14.223 1.128 -9.906 1.00 0.00 O ATOM 1628 CG2 THR A 96 -16.636 0.947 -9.786 1.00 0.00 C ATOM 0 H THR A 96 -14.267 -0.312 -8.223 1.00 0.00 H new ATOM 0 HA THR A 96 -16.151 -1.613 -9.930 1.00 0.00 H new ATOM 0 HB THR A 96 -15.411 0.415 -11.440 1.00 0.00 H new ATOM 0 HG1 THR A 96 -14.329 2.063 -10.179 1.00 0.00 H new ATOM 0 HG21 THR A 96 -16.734 1.987 -10.097 1.00 0.00 H new ATOM 0 HG22 THR A 96 -17.488 0.376 -10.155 1.00 0.00 H new ATOM 0 HG23 THR A 96 -16.609 0.895 -8.698 1.00 0.00 H new ATOM 1636 N ASP A 97 -14.853 -2.072 -12.114 1.00 0.00 N ATOM 1637 CA ASP A 97 -14.121 -2.661 -13.248 1.00 0.00 C ATOM 1638 C ASP A 97 -13.676 -4.089 -12.951 1.00 0.00 C ATOM 1639 O ASP A 97 -14.119 -4.710 -11.980 1.00 0.00 O ATOM 1640 CB ASP A 97 -12.908 -1.794 -13.631 1.00 0.00 C ATOM 1641 CG ASP A 97 -12.584 -1.844 -15.118 1.00 0.00 C ATOM 1642 OD1 ASP A 97 -12.086 -2.885 -15.601 1.00 0.00 O ATOM 1643 OD2 ASP A 97 -12.826 -0.832 -15.812 1.00 0.00 O ATOM 0 H ASP A 97 -15.838 -1.896 -12.311 1.00 0.00 H new ATOM 0 HA ASP A 97 -14.809 -2.693 -14.093 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -13.101 -0.761 -13.342 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -12.038 -2.126 -13.064 1.00 0.00 H new ATOM 1648 N THR A 98 -12.842 -4.603 -13.831 1.00 0.00 N ATOM 1649 CA THR A 98 -12.247 -5.922 -13.684 1.00 0.00 C ATOM 1650 C THR A 98 -11.432 -6.021 -12.395 1.00 0.00 C ATOM 1651 O THR A 98 -10.867 -5.033 -11.926 1.00 0.00 O ATOM 1652 CB THR A 98 -11.355 -6.259 -14.897 1.00 0.00 C ATOM 1653 OG1 THR A 98 -10.523 -5.139 -15.242 1.00 0.00 O ATOM 1654 CG2 THR A 98 -12.206 -6.655 -16.094 1.00 0.00 C ATOM 0 H THR A 98 -12.553 -4.114 -14.678 1.00 0.00 H new ATOM 0 HA THR A 98 -13.061 -6.645 -13.633 1.00 0.00 H new ATOM 0 HB THR A 98 -10.718 -7.100 -14.622 1.00 0.00 H new ATOM 0 HG1 THR A 98 -11.086 -4.383 -15.509 1.00 0.00 H new ATOM 0 HG21 THR A 98 -11.559 -6.889 -16.939 1.00 0.00 H new ATOM 0 HG22 THR A 98 -12.804 -7.531 -15.842 1.00 0.00 H new ATOM 0 HG23 THR A 98 -12.866 -5.829 -16.360 1.00 0.00 H new ATOM 1662 N ARG A 99 -11.377 -7.218 -11.829 1.00 0.00 N ATOM 1663 CA ARG A 99 -10.733 -7.429 -10.542 1.00 0.00 C ATOM 1664 C ARG A 99 -10.333 -8.890 -10.374 1.00 0.00 C ATOM 1665 O ARG A 99 -11.148 -9.792 -10.576 1.00 0.00 O ATOM 1666 CB ARG A 99 -11.691 -6.999 -9.423 1.00 0.00 C ATOM 1667 CG ARG A 99 -11.405 -7.622 -8.068 1.00 0.00 C ATOM 1668 CD ARG A 99 -12.433 -7.183 -7.043 1.00 0.00 C ATOM 1669 NE ARG A 99 -12.537 -8.117 -5.924 1.00 0.00 N ATOM 1670 CZ ARG A 99 -12.762 -7.740 -4.672 1.00 0.00 C ATOM 1671 NH1 ARG A 99 -12.761 -6.449 -4.364 1.00 0.00 N ATOM 1672 NH2 ARG A 99 -12.956 -8.651 -3.724 1.00 0.00 N ATOM 0 H ARG A 99 -11.773 -8.061 -12.244 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.825 -6.827 -10.491 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -11.650 -5.914 -9.325 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -12.709 -7.254 -9.717 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -11.412 -8.709 -8.154 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -10.408 -7.335 -7.735 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -12.167 -6.196 -6.665 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -13.406 -7.088 -7.525 1.00 0.00 H new ATOM 0 HE ARG A 99 -12.431 -9.113 -6.116 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -12.588 -5.752 -5.088 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -12.933 -6.154 -3.403 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -12.932 -9.644 -3.958 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -13.129 -8.358 -2.762 1.00 0.00 H new ATOM 1686 N THR A 100 -9.076 -9.119 -10.019 1.00 0.00 N ATOM 1687 CA THR A 100 -8.583 -10.463 -9.771 1.00 0.00 C ATOM 1688 C THR A 100 -8.400 -10.693 -8.273 1.00 0.00 C ATOM 1689 O THR A 100 -7.312 -10.373 -7.744 1.00 0.00 O ATOM 1690 CB THR A 100 -7.249 -10.714 -10.501 1.00 0.00 C ATOM 1691 OG1 THR A 100 -6.311 -9.686 -10.163 1.00 0.00 O ATOM 1692 CG2 THR A 100 -7.448 -10.755 -12.009 1.00 0.00 C ATOM 1693 OXT THR A 100 -9.356 -11.170 -7.625 1.00 0.00 O ATOM 0 H THR A 100 -8.378 -8.386 -9.896 1.00 0.00 H new ATOM 0 HA THR A 100 -9.323 -11.164 -10.157 1.00 0.00 H new ATOM 0 HB THR A 100 -6.862 -11.682 -10.182 1.00 0.00 H new ATOM 0 HG1 THR A 100 -6.327 -9.534 -9.195 1.00 0.00 H new ATOM 0 HG21 THR A 100 -6.490 -10.933 -12.498 1.00 0.00 H new ATOM 0 HG22 THR A 100 -8.140 -11.558 -12.263 1.00 0.00 H new ATOM 0 HG23 THR A 100 -7.856 -9.803 -12.348 1.00 0.00 H new TER 1701 THR A 100