USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 850 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 87 THR OG1 : rot 180:sc= 0.256 USER MOD Set 1.2: A 88 LYS NZ :NH3+ -115:sc= 0.22 (180deg=-2.57!) USER MOD Set 2.1: A 23 TYR OH : rot 30:sc= 0 USER MOD Set 2.2: A 29 ASN : amide:sc= -6.24! C(o=-6.2!,f=-7!) USER MOD Set 3.1: A 18 CYS SG : rot -109:sc= -1.78! USER MOD Set 3.2: A 75 SER OG : rot 156:sc= 0.893 USER MOD Single : A 1 MET CE :methyl -179:sc= 0 (180deg=-0.00341) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 ASN : amide:sc= -0.322 K(o=-0.32,f=-3!) USER MOD Single : A 9 LYS NZ :NH3+ -106:sc= -0.687 (180deg=-1.86!) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.16) USER MOD Single : A 19 HIS : no HE2:sc= 0.26 K(o=0.26,f=-5.9!) USER MOD Single : A 20 GLN : amide:sc= -0.437 K(o=-0.44,f=-2.2!) USER MOD Single : A 24 TYR OH : rot -110:sc= -0.304 USER MOD Single : A 34 LYS NZ :NH3+ -150:sc= -0.362 (180deg=-2.13!) USER MOD Single : A 37 LYS NZ :NH3+ -146:sc= -0.272 (180deg=-1.91!) USER MOD Single : A 39 GLN : amide:sc= -1.89 K(o=-1.9,f=-3.2) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl -176:sc= -6! (180deg=-6.09!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.137 X(o=-0.14,f=-0.27) USER MOD Single : A 59 ASN : amide:sc= -0.0483 X(o=-0.048,f=-0.3) USER MOD Single : A 62 THR OG1 : rot -110:sc= -0.38 USER MOD Single : A 63 THR OG1 : rot -41:sc= -1.49! USER MOD Single : A 66 ASN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 73 SER OG : rot -88:sc= 0.685 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 149:sc= -0.0218 (180deg=-0.786) USER MOD Single : A 80 MET CE :methyl -173:sc= -6.61! (180deg=-6.94!) USER MOD Single : A 83 SER OG : rot 130:sc= -0.0708 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot -102:sc= 0.123 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -169:sc= -1.18 (180deg=-1.26) USER MOD Single : A 101 THR OG1 : rot 52:sc= 0.0143 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -26.677 0.932 10.850 1.00 0.00 N ATOM 2 CA MET A 1 -26.952 0.761 9.394 1.00 0.00 C ATOM 3 C MET A 1 -25.662 0.402 8.652 1.00 0.00 C ATOM 4 O MET A 1 -24.667 1.094 8.746 1.00 0.00 O ATOM 5 CB MET A 1 -27.480 2.117 8.928 1.00 0.00 C ATOM 6 CG MET A 1 -27.859 2.037 7.448 1.00 0.00 C ATOM 7 SD MET A 1 -27.159 3.455 6.568 1.00 0.00 S ATOM 8 CE MET A 1 -28.348 4.691 7.146 1.00 0.00 C ATOM 0 H1 MET A 1 -27.559 1.175 11.344 1.00 0.00 H new ATOM 0 H2 MET A 1 -26.297 0.045 11.238 1.00 0.00 H new ATOM 0 H3 MET A 1 -25.983 1.695 10.985 1.00 0.00 H new ATOM 0 HA MET A 1 -27.664 -0.041 9.199 1.00 0.00 H new ATOM 0 HB2 MET A 1 -28.348 2.404 9.521 1.00 0.00 H new ATOM 0 HB3 MET A 1 -26.722 2.886 9.079 1.00 0.00 H new ATOM 0 HG2 MET A 1 -27.487 1.108 7.016 1.00 0.00 H new ATOM 0 HG3 MET A 1 -28.944 2.027 7.339 1.00 0.00 H new ATOM 0 HE1 MET A 1 -28.112 5.658 6.703 1.00 0.00 H new ATOM 0 HE2 MET A 1 -29.354 4.393 6.852 1.00 0.00 H new ATOM 0 HE3 MET A 1 -28.295 4.767 8.232 1.00 0.00 H new ATOM 20 N ALA A 2 -25.671 -0.675 7.913 1.00 0.00 N ATOM 21 CA ALA A 2 -24.444 -1.075 7.166 1.00 0.00 C ATOM 22 C ALA A 2 -23.930 0.097 6.325 1.00 0.00 C ATOM 23 O ALA A 2 -24.598 0.567 5.425 1.00 0.00 O ATOM 24 CB ALA A 2 -24.889 -2.228 6.265 1.00 0.00 C ATOM 0 H ALA A 2 -26.473 -1.294 7.795 1.00 0.00 H new ATOM 0 HA ALA A 2 -23.632 -1.367 7.831 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -24.040 -2.581 5.679 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -25.270 -3.044 6.879 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -25.675 -1.882 5.593 1.00 0.00 H new ATOM 30 N GLU A 3 -22.749 0.571 6.612 1.00 0.00 N ATOM 31 CA GLU A 3 -22.193 1.711 5.827 1.00 0.00 C ATOM 32 C GLU A 3 -21.526 1.200 4.548 1.00 0.00 C ATOM 33 O GLU A 3 -21.557 1.844 3.519 1.00 0.00 O ATOM 34 CB GLU A 3 -21.160 2.359 6.749 1.00 0.00 C ATOM 35 CG GLU A 3 -21.868 2.971 7.961 1.00 0.00 C ATOM 36 CD GLU A 3 -20.860 3.172 9.093 1.00 0.00 C ATOM 37 OE1 GLU A 3 -19.963 2.354 9.214 1.00 0.00 O ATOM 38 OE2 GLU A 3 -21.002 4.141 9.821 1.00 0.00 O ATOM 0 H GLU A 3 -22.145 0.219 7.355 1.00 0.00 H new ATOM 0 HA GLU A 3 -22.966 2.416 5.520 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -20.433 1.616 7.076 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -20.608 3.129 6.210 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -22.320 3.925 7.688 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -22.676 2.318 8.291 1.00 0.00 H new ATOM 45 N ASN A 4 -20.921 0.044 4.606 1.00 0.00 N ATOM 46 CA ASN A 4 -20.252 -0.508 3.393 1.00 0.00 C ATOM 47 C ASN A 4 -21.147 -1.556 2.727 1.00 0.00 C ATOM 48 O ASN A 4 -21.913 -2.237 3.378 1.00 0.00 O ATOM 49 CB ASN A 4 -18.965 -1.152 3.909 1.00 0.00 C ATOM 50 CG ASN A 4 -18.159 -0.120 4.701 1.00 0.00 C ATOM 51 OD1 ASN A 4 -17.495 0.719 4.127 1.00 0.00 O ATOM 52 ND2 ASN A 4 -18.191 -0.147 6.005 1.00 0.00 N ATOM 0 H ASN A 4 -20.861 -0.541 5.439 1.00 0.00 H new ATOM 0 HA ASN A 4 -20.052 0.260 2.646 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -19.202 -2.007 4.542 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -18.374 -1.528 3.074 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -17.658 0.537 6.542 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -18.749 -0.852 6.487 1.00 0.00 H new ATOM 59 N GLY A 5 -21.056 -1.691 1.432 1.00 0.00 N ATOM 60 CA GLY A 5 -21.900 -2.695 0.726 1.00 0.00 C ATOM 61 C GLY A 5 -21.701 -4.071 1.363 1.00 0.00 C ATOM 62 O GLY A 5 -22.551 -4.564 2.077 1.00 0.00 O ATOM 0 H GLY A 5 -20.433 -1.149 0.833 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -22.950 -2.406 0.781 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -21.634 -2.730 -0.330 1.00 0.00 H new ATOM 66 N ASP A 6 -20.583 -4.696 1.112 1.00 0.00 N ATOM 67 CA ASP A 6 -20.331 -6.040 1.705 1.00 0.00 C ATOM 68 C ASP A 6 -18.839 -6.212 2.008 1.00 0.00 C ATOM 69 O ASP A 6 -18.007 -5.482 1.509 1.00 0.00 O ATOM 70 CB ASP A 6 -20.779 -7.035 0.636 1.00 0.00 C ATOM 71 CG ASP A 6 -20.134 -6.672 -0.704 1.00 0.00 C ATOM 72 OD1 ASP A 6 -20.555 -5.691 -1.293 1.00 0.00 O ATOM 73 OD2 ASP A 6 -19.232 -7.381 -1.115 1.00 0.00 O ATOM 0 H ASP A 6 -19.834 -4.334 0.522 1.00 0.00 H new ATOM 0 HA ASP A 6 -20.865 -6.184 2.644 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -20.496 -8.047 0.925 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -21.865 -7.021 0.544 1.00 0.00 H new ATOM 78 N ASN A 7 -18.497 -7.171 2.824 1.00 0.00 N ATOM 79 CA ASN A 7 -17.060 -7.389 3.157 1.00 0.00 C ATOM 80 C ASN A 7 -16.499 -6.169 3.894 1.00 0.00 C ATOM 81 O ASN A 7 -15.774 -5.372 3.332 1.00 0.00 O ATOM 82 CB ASN A 7 -16.363 -7.569 1.809 1.00 0.00 C ATOM 83 CG ASN A 7 -15.493 -8.828 1.848 1.00 0.00 C ATOM 84 OD1 ASN A 7 -15.666 -9.674 2.703 1.00 0.00 O ATOM 85 ND2 ASN A 7 -14.559 -8.989 0.950 1.00 0.00 N ATOM 0 H ASN A 7 -19.149 -7.813 3.274 1.00 0.00 H new ATOM 0 HA ASN A 7 -16.912 -8.250 3.809 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -17.103 -7.650 1.013 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -15.749 -6.697 1.586 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -13.975 -9.825 0.966 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -14.414 -8.279 0.232 1.00 0.00 H new ATOM 92 N GLU A 8 -16.828 -6.017 5.147 1.00 0.00 N ATOM 93 CA GLU A 8 -16.315 -4.848 5.919 1.00 0.00 C ATOM 94 C GLU A 8 -14.809 -4.993 6.159 1.00 0.00 C ATOM 95 O GLU A 8 -14.080 -4.021 6.191 1.00 0.00 O ATOM 96 CB GLU A 8 -17.075 -4.884 7.245 1.00 0.00 C ATOM 97 CG GLU A 8 -17.656 -3.498 7.537 1.00 0.00 C ATOM 98 CD GLU A 8 -17.406 -3.140 9.003 1.00 0.00 C ATOM 99 OE1 GLU A 8 -16.299 -3.364 9.467 1.00 0.00 O ATOM 100 OE2 GLU A 8 -18.324 -2.647 9.637 1.00 0.00 O ATOM 0 H GLU A 8 -17.430 -6.652 5.671 1.00 0.00 H new ATOM 0 HA GLU A 8 -16.463 -3.907 5.390 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -17.875 -5.623 7.198 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -16.407 -5.188 8.051 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -17.196 -2.754 6.886 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -18.725 -3.488 7.326 1.00 0.00 H new ATOM 107 N LYS A 9 -14.339 -6.198 6.330 1.00 0.00 N ATOM 108 CA LYS A 9 -12.881 -6.402 6.569 1.00 0.00 C ATOM 109 C LYS A 9 -12.064 -5.738 5.457 1.00 0.00 C ATOM 110 O LYS A 9 -11.045 -5.125 5.704 1.00 0.00 O ATOM 111 CB LYS A 9 -12.685 -7.918 6.548 1.00 0.00 C ATOM 112 CG LYS A 9 -13.588 -8.566 7.600 1.00 0.00 C ATOM 113 CD LYS A 9 -12.874 -9.773 8.210 1.00 0.00 C ATOM 114 CE LYS A 9 -12.363 -10.684 7.092 1.00 0.00 C ATOM 115 NZ LYS A 9 -10.886 -10.500 7.091 1.00 0.00 N ATOM 0 H LYS A 9 -14.900 -7.050 6.315 1.00 0.00 H new ATOM 0 HA LYS A 9 -12.551 -5.962 7.510 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.921 -8.312 5.559 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -11.642 -8.163 6.748 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -13.834 -7.844 8.378 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -14.528 -8.878 7.146 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -12.042 -9.441 8.831 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -13.556 -10.323 8.858 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.631 -11.724 7.277 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.796 -10.409 6.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -10.608 -9.925 6.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.596 -10.017 7.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -10.421 -11.428 7.037 1.00 0.00 H new ATOM 129 N MET A 10 -12.504 -5.856 4.234 1.00 0.00 N ATOM 130 CA MET A 10 -11.753 -5.232 3.108 1.00 0.00 C ATOM 131 C MET A 10 -11.637 -3.722 3.320 1.00 0.00 C ATOM 132 O MET A 10 -10.633 -3.115 3.002 1.00 0.00 O ATOM 133 CB MET A 10 -12.581 -5.539 1.859 1.00 0.00 C ATOM 134 CG MET A 10 -11.658 -6.028 0.742 1.00 0.00 C ATOM 135 SD MET A 10 -11.896 -4.999 -0.729 1.00 0.00 S ATOM 136 CE MET A 10 -11.038 -6.080 -1.901 1.00 0.00 C ATOM 0 H MET A 10 -13.351 -6.357 3.966 1.00 0.00 H new ATOM 0 HA MET A 10 -10.737 -5.618 3.027 1.00 0.00 H new ATOM 0 HB2 MET A 10 -13.330 -6.298 2.084 1.00 0.00 H new ATOM 0 HB3 MET A 10 -13.118 -4.647 1.537 1.00 0.00 H new ATOM 0 HG2 MET A 10 -10.619 -5.982 1.068 1.00 0.00 H new ATOM 0 HG3 MET A 10 -11.873 -7.071 0.508 1.00 0.00 H new ATOM 0 HE1 MET A 10 -11.063 -5.632 -2.894 1.00 0.00 H new ATOM 0 HE2 MET A 10 -10.002 -6.208 -1.586 1.00 0.00 H new ATOM 0 HE3 MET A 10 -11.532 -7.051 -1.929 1.00 0.00 H new ATOM 146 N ALA A 11 -12.655 -3.113 3.856 1.00 0.00 N ATOM 147 CA ALA A 11 -12.604 -1.641 4.090 1.00 0.00 C ATOM 148 C ALA A 11 -11.424 -1.300 5.001 1.00 0.00 C ATOM 149 O ALA A 11 -10.611 -0.452 4.688 1.00 0.00 O ATOM 150 CB ALA A 11 -13.929 -1.303 4.774 1.00 0.00 C ATOM 0 H ALA A 11 -13.521 -3.569 4.143 1.00 0.00 H new ATOM 0 HA ALA A 11 -12.470 -1.076 3.168 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -13.969 -0.234 4.981 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -14.757 -1.578 4.120 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -14.007 -1.856 5.710 1.00 0.00 H new ATOM 156 N ALA A 12 -11.318 -1.958 6.122 1.00 0.00 N ATOM 157 CA ALA A 12 -10.185 -1.674 7.048 1.00 0.00 C ATOM 158 C ALA A 12 -8.878 -2.200 6.447 1.00 0.00 C ATOM 159 O ALA A 12 -7.820 -1.636 6.644 1.00 0.00 O ATOM 160 CB ALA A 12 -10.525 -2.425 8.335 1.00 0.00 C ATOM 0 H ALA A 12 -11.966 -2.680 6.437 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.050 -0.607 7.226 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.735 -2.265 9.069 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -11.470 -2.056 8.733 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.612 -3.491 8.122 1.00 0.00 H new ATOM 166 N LEU A 13 -8.945 -3.280 5.716 1.00 0.00 N ATOM 167 CA LEU A 13 -7.709 -3.844 5.101 1.00 0.00 C ATOM 168 C LEU A 13 -7.145 -2.874 4.058 1.00 0.00 C ATOM 169 O LEU A 13 -5.950 -2.680 3.960 1.00 0.00 O ATOM 170 CB LEU A 13 -8.159 -5.144 4.434 1.00 0.00 C ATOM 171 CG LEU A 13 -6.997 -6.139 4.418 1.00 0.00 C ATOM 172 CD1 LEU A 13 -5.835 -5.554 3.613 1.00 0.00 C ATOM 173 CD2 LEU A 13 -6.537 -6.409 5.853 1.00 0.00 C ATOM 0 H LEU A 13 -9.802 -3.796 5.518 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.922 -4.012 5.836 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.007 -5.567 4.973 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.496 -4.945 3.416 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.324 -7.072 3.959 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.007 -6.263 3.602 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.161 -5.361 2.591 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.508 -4.621 4.072 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.709 -7.118 5.842 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.210 -5.476 6.312 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.364 -6.826 6.428 1.00 0.00 H new ATOM 185 N GLU A 14 -7.997 -2.264 3.281 1.00 0.00 N ATOM 186 CA GLU A 14 -7.511 -1.307 2.245 1.00 0.00 C ATOM 187 C GLU A 14 -6.818 -0.116 2.908 1.00 0.00 C ATOM 188 O GLU A 14 -5.750 0.299 2.504 1.00 0.00 O ATOM 189 CB GLU A 14 -8.771 -0.849 1.511 1.00 0.00 C ATOM 190 CG GLU A 14 -8.382 0.069 0.351 1.00 0.00 C ATOM 191 CD GLU A 14 -9.044 1.436 0.536 1.00 0.00 C ATOM 192 OE1 GLU A 14 -10.188 1.577 0.135 1.00 0.00 O ATOM 193 OE2 GLU A 14 -8.396 2.317 1.077 1.00 0.00 O ATOM 0 H GLU A 14 -9.009 -2.386 3.318 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.785 -1.762 1.571 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.320 -1.713 1.136 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -9.434 -0.323 2.198 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.299 0.181 0.310 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.693 -0.372 -0.596 1.00 0.00 H new ATOM 200 N ALA A 15 -7.422 0.438 3.922 1.00 0.00 N ATOM 201 CA ALA A 15 -6.802 1.604 4.614 1.00 0.00 C ATOM 202 C ALA A 15 -5.544 1.166 5.366 1.00 0.00 C ATOM 203 O ALA A 15 -4.597 1.915 5.501 1.00 0.00 O ATOM 204 CB ALA A 15 -7.872 2.092 5.588 1.00 0.00 C ATOM 0 H ALA A 15 -8.318 0.134 4.302 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.495 2.386 3.919 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.496 2.953 6.141 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.765 2.379 5.033 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.120 1.293 6.286 1.00 0.00 H new ATOM 210 N LYS A 16 -5.524 -0.044 5.854 1.00 0.00 N ATOM 211 CA LYS A 16 -4.324 -0.530 6.593 1.00 0.00 C ATOM 212 C LYS A 16 -3.102 -0.526 5.671 1.00 0.00 C ATOM 213 O LYS A 16 -2.011 -0.170 6.070 1.00 0.00 O ATOM 214 CB LYS A 16 -4.672 -1.957 7.016 1.00 0.00 C ATOM 215 CG LYS A 16 -4.303 -2.158 8.487 1.00 0.00 C ATOM 216 CD LYS A 16 -3.340 -3.341 8.615 1.00 0.00 C ATOM 217 CE LYS A 16 -3.121 -3.663 10.094 1.00 0.00 C ATOM 218 NZ LYS A 16 -2.195 -2.605 10.584 1.00 0.00 N ATOM 0 H LYS A 16 -6.286 -0.717 5.773 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.080 0.100 7.448 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.736 -2.142 6.869 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.135 -2.673 6.394 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.840 -1.254 8.884 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.201 -2.341 9.077 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.745 -4.211 8.099 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.389 -3.102 8.139 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.062 -3.650 10.644 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.690 -4.656 10.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.330 -3.046 10.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.949 -1.969 9.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.659 -2.060 11.339 1.00 0.00 H new ATOM 232 N ILE A 17 -3.279 -0.917 4.438 1.00 0.00 N ATOM 233 CA ILE A 17 -2.129 -0.935 3.489 1.00 0.00 C ATOM 234 C ILE A 17 -1.668 0.495 3.191 1.00 0.00 C ATOM 235 O ILE A 17 -0.489 0.791 3.192 1.00 0.00 O ATOM 236 CB ILE A 17 -2.675 -1.598 2.225 1.00 0.00 C ATOM 237 CG1 ILE A 17 -3.100 -3.033 2.548 1.00 0.00 C ATOM 238 CG2 ILE A 17 -1.591 -1.618 1.147 1.00 0.00 C ATOM 239 CD1 ILE A 17 -4.161 -3.489 1.546 1.00 0.00 C ATOM 0 H ILE A 17 -4.169 -1.225 4.047 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.267 -1.468 3.890 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.535 -1.035 1.862 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.237 -3.697 2.507 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.496 -3.087 3.562 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.982 -2.091 0.246 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.287 -0.597 0.918 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.730 -2.180 1.507 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.463 -4.511 1.776 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.028 -2.831 1.609 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.749 -3.451 0.537 1.00 0.00 H new ATOM 251 N CYS A 18 -2.590 1.384 2.940 1.00 0.00 N ATOM 252 CA CYS A 18 -2.206 2.796 2.646 1.00 0.00 C ATOM 253 C CYS A 18 -1.585 3.441 3.886 1.00 0.00 C ATOM 254 O CYS A 18 -0.619 4.172 3.802 1.00 0.00 O ATOM 255 CB CYS A 18 -3.517 3.493 2.283 1.00 0.00 C ATOM 256 SG CYS A 18 -3.181 4.861 1.146 1.00 0.00 S ATOM 0 H CYS A 18 -3.592 1.195 2.926 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.469 2.867 1.846 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.203 2.783 1.821 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -4.004 3.866 3.184 1.00 0.00 H new ATOM 0 HG CYS A 18 -3.361 5.992 1.762 1.00 0.00 H new ATOM 262 N HIS A 19 -2.137 3.173 5.037 1.00 0.00 N ATOM 263 CA HIS A 19 -1.586 3.769 6.288 1.00 0.00 C ATOM 264 C HIS A 19 -0.114 3.383 6.457 1.00 0.00 C ATOM 265 O HIS A 19 0.688 4.166 6.925 1.00 0.00 O ATOM 266 CB HIS A 19 -2.432 3.179 7.416 1.00 0.00 C ATOM 267 CG HIS A 19 -3.648 4.037 7.630 1.00 0.00 C ATOM 268 ND1 HIS A 19 -4.717 4.037 6.748 1.00 0.00 N ATOM 269 CD2 HIS A 19 -3.980 4.928 8.621 1.00 0.00 C ATOM 270 CE1 HIS A 19 -5.632 4.903 7.219 1.00 0.00 C ATOM 271 NE2 HIS A 19 -5.234 5.474 8.359 1.00 0.00 N ATOM 0 H HIS A 19 -2.947 2.566 5.166 1.00 0.00 H new ATOM 0 HA HIS A 19 -1.626 4.858 6.278 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.731 2.161 7.167 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -1.846 3.124 8.334 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -4.796 3.481 5.896 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -3.362 5.169 9.474 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -6.574 5.111 6.734 1.00 0.00 H new ATOM 279 N GLN A 20 0.252 2.188 6.081 1.00 0.00 N ATOM 280 CA GLN A 20 1.677 1.780 6.230 1.00 0.00 C ATOM 281 C GLN A 20 2.552 2.674 5.351 1.00 0.00 C ATOM 282 O GLN A 20 3.533 3.236 5.801 1.00 0.00 O ATOM 283 CB GLN A 20 1.732 0.329 5.748 1.00 0.00 C ATOM 284 CG GLN A 20 0.604 -0.469 6.405 1.00 0.00 C ATOM 285 CD GLN A 20 1.201 -1.519 7.344 1.00 0.00 C ATOM 286 OE1 GLN A 20 2.189 -2.148 7.021 1.00 0.00 O ATOM 287 NE2 GLN A 20 0.640 -1.735 8.502 1.00 0.00 N ATOM 0 H GLN A 20 -0.367 1.483 5.681 1.00 0.00 H new ATOM 0 HA GLN A 20 2.037 1.873 7.254 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.635 0.291 4.663 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.697 -0.112 5.997 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.053 0.200 6.961 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.006 -0.953 5.642 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.189 -1.207 8.773 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.031 -2.432 9.136 1.00 0.00 H new ATOM 296 N ILE A 21 2.186 2.842 4.109 1.00 0.00 N ATOM 297 CA ILE A 21 2.985 3.727 3.220 1.00 0.00 C ATOM 298 C ILE A 21 3.029 5.120 3.839 1.00 0.00 C ATOM 299 O ILE A 21 4.020 5.819 3.772 1.00 0.00 O ATOM 300 CB ILE A 21 2.235 3.749 1.890 1.00 0.00 C ATOM 301 CG1 ILE A 21 2.182 2.332 1.312 1.00 0.00 C ATOM 302 CG2 ILE A 21 2.963 4.670 0.911 1.00 0.00 C ATOM 303 CD1 ILE A 21 3.583 1.911 0.867 1.00 0.00 C ATOM 0 H ILE A 21 1.372 2.406 3.675 1.00 0.00 H new ATOM 0 HA ILE A 21 4.011 3.385 3.084 1.00 0.00 H new ATOM 0 HB ILE A 21 1.221 4.116 2.050 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.802 1.636 2.060 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.495 2.298 0.467 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.429 4.687 -0.039 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.004 5.679 1.322 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.977 4.302 0.751 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.546 0.902 0.455 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.945 2.601 0.105 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.257 1.929 1.723 1.00 0.00 H new ATOM 315 N GLU A 22 1.954 5.512 4.462 1.00 0.00 N ATOM 316 CA GLU A 22 1.909 6.845 5.116 1.00 0.00 C ATOM 317 C GLU A 22 2.965 6.916 6.223 1.00 0.00 C ATOM 318 O GLU A 22 3.544 7.948 6.477 1.00 0.00 O ATOM 319 CB GLU A 22 0.503 6.949 5.709 1.00 0.00 C ATOM 320 CG GLU A 22 -0.160 8.242 5.227 1.00 0.00 C ATOM 321 CD GLU A 22 0.151 9.371 6.211 1.00 0.00 C ATOM 322 OE1 GLU A 22 1.040 9.193 7.028 1.00 0.00 O ATOM 323 OE2 GLU A 22 -0.506 10.396 6.132 1.00 0.00 O ATOM 0 H GLU A 22 1.100 4.961 4.546 1.00 0.00 H new ATOM 0 HA GLU A 22 2.116 7.658 4.420 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.094 6.088 5.409 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.554 6.938 6.798 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.204 8.501 4.233 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.238 8.102 5.146 1.00 0.00 H new ATOM 330 N TYR A 23 3.208 5.825 6.897 1.00 0.00 N ATOM 331 CA TYR A 23 4.216 5.844 7.996 1.00 0.00 C ATOM 332 C TYR A 23 5.604 6.226 7.459 1.00 0.00 C ATOM 333 O TYR A 23 6.295 7.032 8.049 1.00 0.00 O ATOM 334 CB TYR A 23 4.221 4.416 8.553 1.00 0.00 C ATOM 335 CG TYR A 23 5.585 4.095 9.114 1.00 0.00 C ATOM 336 CD1 TYR A 23 6.234 5.014 9.948 1.00 0.00 C ATOM 337 CD2 TYR A 23 6.202 2.880 8.797 1.00 0.00 C ATOM 338 CE1 TYR A 23 7.502 4.716 10.465 1.00 0.00 C ATOM 339 CE2 TYR A 23 7.469 2.583 9.314 1.00 0.00 C ATOM 340 CZ TYR A 23 8.119 3.501 10.147 1.00 0.00 C ATOM 341 OH TYR A 23 9.368 3.208 10.655 1.00 0.00 O ATOM 0 H TYR A 23 2.755 4.925 6.736 1.00 0.00 H new ATOM 0 HA TYR A 23 3.972 6.581 8.761 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.464 4.316 9.331 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.965 3.707 7.766 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.758 5.952 10.193 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.701 2.171 8.154 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.003 5.424 11.109 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.945 1.645 9.070 1.00 0.00 H new ATOM 0 HH TYR A 23 9.479 3.647 11.524 1.00 0.00 H new ATOM 351 N TYR A 24 6.025 5.665 6.353 1.00 0.00 N ATOM 352 CA TYR A 24 7.379 6.032 5.823 1.00 0.00 C ATOM 353 C TYR A 24 7.330 7.390 5.119 1.00 0.00 C ATOM 354 O TYR A 24 8.242 8.188 5.225 1.00 0.00 O ATOM 355 CB TYR A 24 7.780 4.955 4.809 1.00 0.00 C ATOM 356 CG TYR A 24 7.070 3.658 5.086 1.00 0.00 C ATOM 357 CD1 TYR A 24 7.549 2.786 6.069 1.00 0.00 C ATOM 358 CD2 TYR A 24 5.936 3.324 4.345 1.00 0.00 C ATOM 359 CE1 TYR A 24 6.889 1.576 6.310 1.00 0.00 C ATOM 360 CE2 TYR A 24 5.277 2.117 4.581 1.00 0.00 C ATOM 361 CZ TYR A 24 5.751 1.242 5.566 1.00 0.00 C ATOM 362 OH TYR A 24 5.099 0.047 5.800 1.00 0.00 O ATOM 0 H TYR A 24 5.504 4.983 5.802 1.00 0.00 H new ATOM 0 HA TYR A 24 8.096 6.096 6.641 1.00 0.00 H new ATOM 0 HB2 TYR A 24 7.543 5.294 3.801 1.00 0.00 H new ATOM 0 HB3 TYR A 24 8.858 4.798 4.848 1.00 0.00 H new ATOM 0 HD1 TYR A 24 8.427 3.046 6.641 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.568 4.000 3.588 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.257 0.901 7.069 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.402 1.858 4.004 1.00 0.00 H new ATOM 0 HH TYR A 24 5.235 -0.554 5.038 1.00 0.00 H new ATOM 372 N PHE A 25 6.291 7.647 4.376 1.00 0.00 N ATOM 373 CA PHE A 25 6.210 8.945 3.637 1.00 0.00 C ATOM 374 C PHE A 25 5.361 9.975 4.390 1.00 0.00 C ATOM 375 O PHE A 25 5.461 11.159 4.144 1.00 0.00 O ATOM 376 CB PHE A 25 5.555 8.593 2.302 1.00 0.00 C ATOM 377 CG PHE A 25 6.610 8.113 1.337 1.00 0.00 C ATOM 378 CD1 PHE A 25 7.547 9.016 0.820 1.00 0.00 C ATOM 379 CD2 PHE A 25 6.653 6.766 0.960 1.00 0.00 C ATOM 380 CE1 PHE A 25 8.526 8.571 -0.075 1.00 0.00 C ATOM 381 CE2 PHE A 25 7.633 6.322 0.064 1.00 0.00 C ATOM 382 CZ PHE A 25 8.569 7.223 -0.453 1.00 0.00 C ATOM 0 H PHE A 25 5.496 7.021 4.246 1.00 0.00 H new ATOM 0 HA PHE A 25 7.195 9.397 3.518 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.801 7.820 2.447 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.043 9.465 1.894 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.514 10.055 1.112 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.931 6.070 1.360 1.00 0.00 H new ATOM 0 HE1 PHE A 25 9.249 9.267 -0.474 1.00 0.00 H new ATOM 0 HE2 PHE A 25 7.666 5.283 -0.228 1.00 0.00 H new ATOM 0 HZ PHE A 25 9.325 6.880 -1.144 1.00 0.00 H new ATOM 392 N GLY A 26 4.503 9.538 5.267 1.00 0.00 N ATOM 393 CA GLY A 26 3.616 10.489 6.013 1.00 0.00 C ATOM 394 C GLY A 26 4.425 11.595 6.708 1.00 0.00 C ATOM 395 O GLY A 26 4.151 11.954 7.836 1.00 0.00 O ATOM 0 H GLY A 26 4.373 8.555 5.505 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.903 10.939 5.322 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.037 9.940 6.756 1.00 0.00 H new ATOM 399 N ASP A 27 5.395 12.159 6.044 1.00 0.00 N ATOM 400 CA ASP A 27 6.196 13.262 6.655 1.00 0.00 C ATOM 401 C ASP A 27 6.924 12.818 7.932 1.00 0.00 C ATOM 402 O ASP A 27 7.813 13.496 8.400 1.00 0.00 O ATOM 403 CB ASP A 27 5.172 14.348 6.983 1.00 0.00 C ATOM 404 CG ASP A 27 4.299 14.615 5.755 1.00 0.00 C ATOM 405 OD1 ASP A 27 4.786 14.423 4.654 1.00 0.00 O ATOM 406 OD2 ASP A 27 3.158 15.008 5.937 1.00 0.00 O ATOM 0 H ASP A 27 5.671 11.902 5.096 1.00 0.00 H new ATOM 0 HA ASP A 27 6.978 13.600 5.975 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.551 14.035 7.823 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.681 15.263 7.286 1.00 0.00 H new ATOM 411 N PHE A 28 6.563 11.705 8.515 1.00 0.00 N ATOM 412 CA PHE A 28 7.264 11.281 9.763 1.00 0.00 C ATOM 413 C PHE A 28 8.603 10.618 9.435 1.00 0.00 C ATOM 414 O PHE A 28 9.623 10.935 10.013 1.00 0.00 O ATOM 415 CB PHE A 28 6.317 10.279 10.424 1.00 0.00 C ATOM 416 CG PHE A 28 6.366 10.452 11.922 1.00 0.00 C ATOM 417 CD1 PHE A 28 5.703 11.527 12.526 1.00 0.00 C ATOM 418 CD2 PHE A 28 7.075 9.537 12.710 1.00 0.00 C ATOM 419 CE1 PHE A 28 5.747 11.688 13.916 1.00 0.00 C ATOM 420 CE2 PHE A 28 7.121 9.698 14.100 1.00 0.00 C ATOM 421 CZ PHE A 28 6.457 10.773 14.704 1.00 0.00 C ATOM 0 H PHE A 28 5.826 11.080 8.188 1.00 0.00 H new ATOM 0 HA PHE A 28 7.489 12.127 10.413 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.300 10.431 10.063 1.00 0.00 H new ATOM 0 HB3 PHE A 28 6.602 9.262 10.155 1.00 0.00 H new ATOM 0 HD1 PHE A 28 5.157 12.233 11.919 1.00 0.00 H new ATOM 0 HD2 PHE A 28 7.586 8.707 12.245 1.00 0.00 H new ATOM 0 HE1 PHE A 28 5.234 12.517 14.380 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.669 8.993 14.707 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.492 10.896 15.776 1.00 0.00 H new ATOM 431 N ASN A 29 8.599 9.682 8.531 1.00 0.00 N ATOM 432 CA ASN A 29 9.860 8.970 8.171 1.00 0.00 C ATOM 433 C ASN A 29 10.753 9.806 7.240 1.00 0.00 C ATOM 434 O ASN A 29 11.959 9.712 7.287 1.00 0.00 O ATOM 435 CB ASN A 29 9.397 7.701 7.459 1.00 0.00 C ATOM 436 CG ASN A 29 9.816 6.476 8.274 1.00 0.00 C ATOM 437 OD1 ASN A 29 10.157 5.450 7.719 1.00 0.00 O ATOM 438 ND2 ASN A 29 9.803 6.540 9.577 1.00 0.00 N ATOM 0 H ASN A 29 7.771 9.375 8.020 1.00 0.00 H new ATOM 0 HA ASN A 29 10.464 8.768 9.055 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.314 7.715 7.335 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.831 7.653 6.460 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.079 5.729 10.130 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.517 7.401 10.042 1.00 0.00 H new ATOM 445 N LEU A 30 10.174 10.589 6.373 1.00 0.00 N ATOM 446 CA LEU A 30 11.002 11.387 5.412 1.00 0.00 C ATOM 447 C LEU A 30 11.999 12.311 6.132 1.00 0.00 C ATOM 448 O LEU A 30 13.107 12.492 5.667 1.00 0.00 O ATOM 449 CB LEU A 30 9.993 12.214 4.617 1.00 0.00 C ATOM 450 CG LEU A 30 9.105 11.283 3.791 1.00 0.00 C ATOM 451 CD1 LEU A 30 7.788 11.989 3.464 1.00 0.00 C ATOM 452 CD2 LEU A 30 9.823 10.918 2.490 1.00 0.00 C ATOM 0 H LEU A 30 9.166 10.714 6.285 1.00 0.00 H new ATOM 0 HA LEU A 30 11.606 10.735 4.782 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.382 12.810 5.295 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.515 12.911 3.962 1.00 0.00 H new ATOM 0 HG LEU A 30 8.899 10.377 4.361 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.156 11.325 2.875 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.276 12.251 4.390 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.993 12.895 2.894 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.191 10.254 1.900 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.028 11.825 1.921 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.762 10.415 2.721 1.00 0.00 H new ATOM 464 N PRO A 31 11.583 12.870 7.234 1.00 0.00 N ATOM 465 CA PRO A 31 12.471 13.785 7.995 1.00 0.00 C ATOM 466 C PRO A 31 13.760 13.069 8.419 1.00 0.00 C ATOM 467 O PRO A 31 14.754 13.699 8.721 1.00 0.00 O ATOM 468 CB PRO A 31 11.648 14.171 9.225 1.00 0.00 C ATOM 469 CG PRO A 31 10.234 13.811 8.896 1.00 0.00 C ATOM 470 CD PRO A 31 10.273 12.718 7.861 1.00 0.00 C ATOM 0 HA PRO A 31 12.779 14.648 7.405 1.00 0.00 H new ATOM 0 HB2 PRO A 31 11.992 13.636 10.110 1.00 0.00 H new ATOM 0 HB3 PRO A 31 11.741 15.236 9.440 1.00 0.00 H new ATOM 0 HG2 PRO A 31 9.707 13.475 9.789 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.696 14.679 8.516 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.160 11.734 8.316 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.468 12.828 7.134 1.00 0.00 H new ATOM 478 N ARG A 32 13.757 11.765 8.449 1.00 0.00 N ATOM 479 CA ARG A 32 14.992 11.032 8.859 1.00 0.00 C ATOM 480 C ARG A 32 15.119 9.705 8.098 1.00 0.00 C ATOM 481 O ARG A 32 15.988 8.904 8.378 1.00 0.00 O ATOM 482 CB ARG A 32 14.816 10.771 10.355 1.00 0.00 C ATOM 483 CG ARG A 32 15.218 12.021 11.141 1.00 0.00 C ATOM 484 CD ARG A 32 15.905 11.607 12.444 1.00 0.00 C ATOM 485 NE ARG A 32 16.183 12.885 13.155 1.00 0.00 N ATOM 486 CZ ARG A 32 17.128 13.679 12.729 1.00 0.00 C ATOM 487 NH1 ARG A 32 17.831 13.354 11.679 1.00 0.00 N ATOM 488 NH2 ARG A 32 17.371 14.798 13.356 1.00 0.00 N ATOM 0 H ARG A 32 12.959 11.177 8.209 1.00 0.00 H new ATOM 0 HA ARG A 32 15.894 11.604 8.640 1.00 0.00 H new ATOM 0 HB2 ARG A 32 13.780 10.511 10.570 1.00 0.00 H new ATOM 0 HB3 ARG A 32 15.428 9.923 10.662 1.00 0.00 H new ATOM 0 HG2 ARG A 32 15.889 12.638 10.544 1.00 0.00 H new ATOM 0 HG3 ARG A 32 14.337 12.626 11.358 1.00 0.00 H new ATOM 0 HD2 ARG A 32 15.264 10.956 13.039 1.00 0.00 H new ATOM 0 HD3 ARG A 32 16.825 11.056 12.248 1.00 0.00 H new ATOM 0 HE ARG A 32 15.635 13.141 13.976 1.00 0.00 H new ATOM 0 HH11 ARG A 32 17.643 12.479 11.190 1.00 0.00 H new ATOM 0 HH12 ARG A 32 18.569 13.975 11.347 1.00 0.00 H new ATOM 0 HH21 ARG A 32 16.823 15.051 14.178 1.00 0.00 H new ATOM 0 HH22 ARG A 32 18.109 15.419 13.024 1.00 0.00 H new ATOM 502 N ASP A 33 14.237 9.448 7.173 1.00 0.00 N ATOM 503 CA ASP A 33 14.290 8.151 6.439 1.00 0.00 C ATOM 504 C ASP A 33 15.621 7.987 5.699 1.00 0.00 C ATOM 505 O ASP A 33 15.813 8.489 4.610 1.00 0.00 O ATOM 506 CB ASP A 33 13.134 8.224 5.439 1.00 0.00 C ATOM 507 CG ASP A 33 12.045 7.232 5.846 1.00 0.00 C ATOM 508 OD1 ASP A 33 12.031 6.836 7.000 1.00 0.00 O ATOM 509 OD2 ASP A 33 11.242 6.883 4.995 1.00 0.00 O ATOM 0 H ASP A 33 13.484 10.077 6.893 1.00 0.00 H new ATOM 0 HA ASP A 33 14.208 7.300 7.115 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.728 9.235 5.410 1.00 0.00 H new ATOM 0 HB3 ASP A 33 13.492 7.996 4.435 1.00 0.00 H new ATOM 514 N LYS A 34 16.533 7.265 6.294 1.00 0.00 N ATOM 515 CA LYS A 34 17.857 7.033 5.643 1.00 0.00 C ATOM 516 C LYS A 34 17.702 6.025 4.506 1.00 0.00 C ATOM 517 O LYS A 34 18.211 6.208 3.418 1.00 0.00 O ATOM 518 CB LYS A 34 18.761 6.459 6.738 1.00 0.00 C ATOM 519 CG LYS A 34 18.454 7.131 8.078 1.00 0.00 C ATOM 520 CD LYS A 34 18.492 8.650 7.911 1.00 0.00 C ATOM 521 CE LYS A 34 19.946 9.117 7.808 1.00 0.00 C ATOM 522 NZ LYS A 34 20.585 8.662 9.073 1.00 0.00 N ATOM 0 H LYS A 34 16.418 6.824 7.206 1.00 0.00 H new ATOM 0 HA LYS A 34 18.271 7.948 5.220 1.00 0.00 H new ATOM 0 HB2 LYS A 34 18.609 5.383 6.819 1.00 0.00 H new ATOM 0 HB3 LYS A 34 19.807 6.615 6.475 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.473 6.819 8.436 1.00 0.00 H new ATOM 0 HG3 LYS A 34 19.181 6.819 8.828 1.00 0.00 H new ATOM 0 HD2 LYS A 34 17.941 8.942 7.017 1.00 0.00 H new ATOM 0 HD3 LYS A 34 18.003 9.132 8.758 1.00 0.00 H new ATOM 0 HE2 LYS A 34 20.439 8.684 6.938 1.00 0.00 H new ATOM 0 HE3 LYS A 34 20.007 10.200 7.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 21.350 9.317 9.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 19.875 8.643 9.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 20.976 7.708 8.941 1.00 0.00 H new ATOM 536 N PHE A 35 16.997 4.960 4.760 1.00 0.00 N ATOM 537 CA PHE A 35 16.797 3.923 3.707 1.00 0.00 C ATOM 538 C PHE A 35 15.875 4.457 2.610 1.00 0.00 C ATOM 539 O PHE A 35 16.116 4.263 1.435 1.00 0.00 O ATOM 540 CB PHE A 35 16.151 2.739 4.428 1.00 0.00 C ATOM 541 CG PHE A 35 14.834 3.166 5.031 1.00 0.00 C ATOM 542 CD1 PHE A 35 13.663 3.115 4.264 1.00 0.00 C ATOM 543 CD2 PHE A 35 14.781 3.609 6.358 1.00 0.00 C ATOM 544 CE1 PHE A 35 12.442 3.509 4.823 1.00 0.00 C ATOM 545 CE2 PHE A 35 13.560 4.002 6.917 1.00 0.00 C ATOM 546 CZ PHE A 35 12.390 3.952 6.150 1.00 0.00 C ATOM 0 H PHE A 35 16.548 4.761 5.654 1.00 0.00 H new ATOM 0 HA PHE A 35 17.732 3.639 3.224 1.00 0.00 H new ATOM 0 HB2 PHE A 35 15.992 1.918 3.729 1.00 0.00 H new ATOM 0 HB3 PHE A 35 16.816 2.369 5.208 1.00 0.00 H new ATOM 0 HD1 PHE A 35 13.702 2.771 3.241 1.00 0.00 H new ATOM 0 HD2 PHE A 35 15.683 3.647 6.951 1.00 0.00 H new ATOM 0 HE1 PHE A 35 11.540 3.471 4.231 1.00 0.00 H new ATOM 0 HE2 PHE A 35 13.520 4.344 7.941 1.00 0.00 H new ATOM 0 HZ PHE A 35 11.448 4.255 6.582 1.00 0.00 H new ATOM 556 N LEU A 36 14.823 5.135 2.979 1.00 0.00 N ATOM 557 CA LEU A 36 13.899 5.684 1.949 1.00 0.00 C ATOM 558 C LEU A 36 14.637 6.717 1.097 1.00 0.00 C ATOM 559 O LEU A 36 14.424 6.825 -0.094 1.00 0.00 O ATOM 560 CB LEU A 36 12.769 6.347 2.736 1.00 0.00 C ATOM 561 CG LEU A 36 11.438 6.095 2.028 1.00 0.00 C ATOM 562 CD1 LEU A 36 11.609 6.304 0.521 1.00 0.00 C ATOM 563 CD2 LEU A 36 10.985 4.657 2.294 1.00 0.00 C ATOM 0 H LEU A 36 14.565 5.332 3.946 1.00 0.00 H new ATOM 0 HA LEU A 36 13.521 4.915 1.275 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.735 5.948 3.750 1.00 0.00 H new ATOM 0 HB3 LEU A 36 12.951 7.418 2.821 1.00 0.00 H new ATOM 0 HG LEU A 36 10.689 6.791 2.407 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.659 6.124 0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.932 7.327 0.330 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.358 5.610 0.140 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.036 4.475 1.790 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.736 3.963 1.915 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.861 4.507 3.366 1.00 0.00 H new ATOM 575 N LYS A 37 15.514 7.470 1.702 1.00 0.00 N ATOM 576 CA LYS A 37 16.280 8.490 0.932 1.00 0.00 C ATOM 577 C LYS A 37 17.180 7.792 -0.090 1.00 0.00 C ATOM 578 O LYS A 37 17.536 8.354 -1.108 1.00 0.00 O ATOM 579 CB LYS A 37 17.121 9.226 1.975 1.00 0.00 C ATOM 580 CG LYS A 37 16.555 10.631 2.189 1.00 0.00 C ATOM 581 CD LYS A 37 16.966 11.530 1.022 1.00 0.00 C ATOM 582 CE LYS A 37 18.429 11.949 1.190 1.00 0.00 C ATOM 583 NZ LYS A 37 18.464 12.722 2.463 1.00 0.00 N ATOM 0 H LYS A 37 15.733 7.423 2.697 1.00 0.00 H new ATOM 0 HA LYS A 37 15.633 9.173 0.382 1.00 0.00 H new ATOM 0 HB2 LYS A 37 17.118 8.674 2.915 1.00 0.00 H new ATOM 0 HB3 LYS A 37 18.158 9.287 1.644 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.468 10.589 2.265 1.00 0.00 H new ATOM 0 HG3 LYS A 37 16.924 11.044 3.128 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.834 11.001 0.078 1.00 0.00 H new ATOM 0 HD3 LYS A 37 16.326 12.412 0.985 1.00 0.00 H new ATOM 0 HE2 LYS A 37 19.086 11.080 1.237 1.00 0.00 H new ATOM 0 HE3 LYS A 37 18.765 12.557 0.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 19.170 13.482 2.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 17.527 13.137 2.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.719 12.088 3.247 1.00 0.00 H new ATOM 597 N GLU A 38 17.540 6.565 0.170 1.00 0.00 N ATOM 598 CA GLU A 38 18.406 5.823 -0.789 1.00 0.00 C ATOM 599 C GLU A 38 17.607 5.475 -2.048 1.00 0.00 C ATOM 600 O GLU A 38 18.071 5.646 -3.158 1.00 0.00 O ATOM 601 CB GLU A 38 18.825 4.553 -0.048 1.00 0.00 C ATOM 602 CG GLU A 38 20.138 4.805 0.695 1.00 0.00 C ATOM 603 CD GLU A 38 20.522 3.558 1.494 1.00 0.00 C ATOM 604 OE1 GLU A 38 19.818 2.568 1.384 1.00 0.00 O ATOM 605 OE2 GLU A 38 21.513 3.615 2.203 1.00 0.00 O ATOM 0 H GLU A 38 17.272 6.044 1.005 1.00 0.00 H new ATOM 0 HA GLU A 38 19.270 6.406 -1.108 1.00 0.00 H new ATOM 0 HB2 GLU A 38 18.047 4.257 0.656 1.00 0.00 H new ATOM 0 HB3 GLU A 38 18.946 3.731 -0.753 1.00 0.00 H new ATOM 0 HG2 GLU A 38 20.928 5.052 -0.015 1.00 0.00 H new ATOM 0 HG3 GLU A 38 20.031 5.659 1.364 1.00 0.00 H new ATOM 612 N GLN A 39 16.406 4.990 -1.882 1.00 0.00 N ATOM 613 CA GLN A 39 15.573 4.633 -3.066 1.00 0.00 C ATOM 614 C GLN A 39 15.115 5.901 -3.792 1.00 0.00 C ATOM 615 O GLN A 39 15.182 5.996 -5.001 1.00 0.00 O ATOM 616 CB GLN A 39 14.371 3.881 -2.492 1.00 0.00 C ATOM 617 CG GLN A 39 13.753 3.000 -3.580 1.00 0.00 C ATOM 618 CD GLN A 39 14.773 1.952 -4.029 1.00 0.00 C ATOM 619 OE1 GLN A 39 15.688 1.627 -3.300 1.00 0.00 O ATOM 620 NE2 GLN A 39 14.653 1.409 -5.210 1.00 0.00 N ATOM 0 H GLN A 39 15.966 4.826 -0.977 1.00 0.00 H new ATOM 0 HA GLN A 39 16.122 4.032 -3.791 1.00 0.00 H new ATOM 0 HB2 GLN A 39 14.682 3.268 -1.646 1.00 0.00 H new ATOM 0 HB3 GLN A 39 13.631 4.588 -2.118 1.00 0.00 H new ATOM 0 HG2 GLN A 39 12.856 2.511 -3.200 1.00 0.00 H new ATOM 0 HG3 GLN A 39 13.447 3.612 -4.428 1.00 0.00 H new ATOM 0 HE21 GLN A 39 13.884 1.683 -5.821 1.00 0.00 H new ATOM 0 HE22 GLN A 39 15.328 0.711 -5.521 1.00 0.00 H new ATOM 629 N ILE A 40 14.653 6.877 -3.061 1.00 0.00 N ATOM 630 CA ILE A 40 14.195 8.139 -3.708 1.00 0.00 C ATOM 631 C ILE A 40 15.357 8.787 -4.467 1.00 0.00 C ATOM 632 O ILE A 40 15.186 9.328 -5.541 1.00 0.00 O ATOM 633 CB ILE A 40 13.733 9.035 -2.558 1.00 0.00 C ATOM 634 CG1 ILE A 40 12.912 10.198 -3.118 1.00 0.00 C ATOM 635 CG2 ILE A 40 14.953 9.585 -1.817 1.00 0.00 C ATOM 636 CD1 ILE A 40 12.524 11.144 -1.980 1.00 0.00 C ATOM 0 H ILE A 40 14.573 6.856 -2.044 1.00 0.00 H new ATOM 0 HA ILE A 40 13.396 7.969 -4.430 1.00 0.00 H new ATOM 0 HB ILE A 40 13.120 8.454 -1.869 1.00 0.00 H new ATOM 0 HG12 ILE A 40 13.489 10.735 -3.871 1.00 0.00 H new ATOM 0 HG13 ILE A 40 12.017 9.820 -3.612 1.00 0.00 H new ATOM 0 HG21 ILE A 40 14.624 10.224 -0.997 1.00 0.00 H new ATOM 0 HG22 ILE A 40 15.540 8.758 -1.419 1.00 0.00 H new ATOM 0 HG23 ILE A 40 15.566 10.166 -2.506 1.00 0.00 H new ATOM 0 HD11 ILE A 40 11.939 11.973 -2.379 1.00 0.00 H new ATOM 0 HD12 ILE A 40 11.931 10.603 -1.243 1.00 0.00 H new ATOM 0 HD13 ILE A 40 13.426 11.532 -1.506 1.00 0.00 H new ATOM 648 N LYS A 41 16.537 8.736 -3.913 1.00 0.00 N ATOM 649 CA LYS A 41 17.713 9.350 -4.598 1.00 0.00 C ATOM 650 C LYS A 41 18.244 8.414 -5.689 1.00 0.00 C ATOM 651 O LYS A 41 18.792 8.854 -6.681 1.00 0.00 O ATOM 652 CB LYS A 41 18.757 9.538 -3.498 1.00 0.00 C ATOM 653 CG LYS A 41 20.007 10.196 -4.085 1.00 0.00 C ATOM 654 CD LYS A 41 19.650 11.582 -4.624 1.00 0.00 C ATOM 655 CE LYS A 41 20.322 12.654 -3.763 1.00 0.00 C ATOM 656 NZ LYS A 41 19.460 13.859 -3.910 1.00 0.00 N ATOM 0 H LYS A 41 16.739 8.296 -3.015 1.00 0.00 H new ATOM 0 HA LYS A 41 17.460 10.291 -5.086 1.00 0.00 H new ATOM 0 HB2 LYS A 41 18.350 10.156 -2.698 1.00 0.00 H new ATOM 0 HB3 LYS A 41 19.014 8.575 -3.057 1.00 0.00 H new ATOM 0 HG2 LYS A 41 20.780 10.280 -3.321 1.00 0.00 H new ATOM 0 HG3 LYS A 41 20.415 9.577 -4.884 1.00 0.00 H new ATOM 0 HD2 LYS A 41 19.976 11.676 -5.660 1.00 0.00 H new ATOM 0 HD3 LYS A 41 18.569 11.719 -4.616 1.00 0.00 H new ATOM 0 HE2 LYS A 41 20.388 12.340 -2.721 1.00 0.00 H new ATOM 0 HE3 LYS A 41 21.339 12.852 -4.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 19.856 14.639 -3.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 19.422 14.138 -4.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 18.500 13.642 -3.574 1.00 0.00 H new ATOM 670 N LEU A 42 18.089 7.129 -5.516 1.00 0.00 N ATOM 671 CA LEU A 42 18.589 6.175 -6.549 1.00 0.00 C ATOM 672 C LEU A 42 18.127 6.620 -7.941 1.00 0.00 C ATOM 673 O LEU A 42 18.876 7.213 -8.692 1.00 0.00 O ATOM 674 CB LEU A 42 17.970 4.826 -6.179 1.00 0.00 C ATOM 675 CG LEU A 42 19.077 3.784 -6.012 1.00 0.00 C ATOM 676 CD1 LEU A 42 19.489 3.706 -4.540 1.00 0.00 C ATOM 677 CD2 LEU A 42 18.564 2.417 -6.467 1.00 0.00 C ATOM 0 H LEU A 42 17.640 6.699 -4.707 1.00 0.00 H new ATOM 0 HA LEU A 42 19.678 6.125 -6.576 1.00 0.00 H new ATOM 0 HB2 LEU A 42 17.400 4.917 -5.255 1.00 0.00 H new ATOM 0 HB3 LEU A 42 17.272 4.509 -6.954 1.00 0.00 H new ATOM 0 HG LEU A 42 19.937 4.071 -6.616 1.00 0.00 H new ATOM 0 HD11 LEU A 42 20.278 2.963 -4.422 1.00 0.00 H new ATOM 0 HD12 LEU A 42 19.855 4.679 -4.213 1.00 0.00 H new ATOM 0 HD13 LEU A 42 18.628 3.420 -3.936 1.00 0.00 H new ATOM 0 HD21 LEU A 42 19.353 1.674 -6.348 1.00 0.00 H new ATOM 0 HD22 LEU A 42 17.703 2.132 -5.862 1.00 0.00 H new ATOM 0 HD23 LEU A 42 18.270 2.469 -7.515 1.00 0.00 H new ATOM 689 N ASP A 43 16.899 6.346 -8.287 1.00 0.00 N ATOM 690 CA ASP A 43 16.391 6.763 -9.626 1.00 0.00 C ATOM 691 C ASP A 43 15.905 8.213 -9.565 1.00 0.00 C ATOM 692 O ASP A 43 16.607 9.091 -9.105 1.00 0.00 O ATOM 693 CB ASP A 43 15.232 5.812 -9.924 1.00 0.00 C ATOM 694 CG ASP A 43 14.975 5.775 -11.432 1.00 0.00 C ATOM 695 OD1 ASP A 43 15.867 6.152 -12.174 1.00 0.00 O ATOM 696 OD2 ASP A 43 13.892 5.370 -11.818 1.00 0.00 O ATOM 0 H ASP A 43 16.226 5.852 -7.702 1.00 0.00 H new ATOM 0 HA ASP A 43 17.157 6.715 -10.400 1.00 0.00 H new ATOM 0 HB2 ASP A 43 15.466 4.812 -9.560 1.00 0.00 H new ATOM 0 HB3 ASP A 43 14.335 6.140 -9.400 1.00 0.00 H new ATOM 701 N GLU A 44 14.707 8.475 -10.012 1.00 0.00 N ATOM 702 CA GLU A 44 14.184 9.870 -9.964 1.00 0.00 C ATOM 703 C GLU A 44 13.152 9.995 -8.842 1.00 0.00 C ATOM 704 O GLU A 44 12.063 10.497 -9.038 1.00 0.00 O ATOM 705 CB GLU A 44 13.527 10.098 -11.325 1.00 0.00 C ATOM 706 CG GLU A 44 13.614 11.580 -11.694 1.00 0.00 C ATOM 707 CD GLU A 44 12.587 11.897 -12.782 1.00 0.00 C ATOM 708 OE1 GLU A 44 11.916 10.977 -13.221 1.00 0.00 O ATOM 709 OE2 GLU A 44 12.488 13.053 -13.157 1.00 0.00 O ATOM 0 H GLU A 44 14.069 7.785 -10.408 1.00 0.00 H new ATOM 0 HA GLU A 44 14.967 10.602 -9.768 1.00 0.00 H new ATOM 0 HB2 GLU A 44 14.022 9.494 -12.085 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.485 9.781 -11.295 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.429 12.196 -10.814 1.00 0.00 H new ATOM 0 HG3 GLU A 44 14.618 11.820 -12.046 1.00 0.00 H new ATOM 716 N GLY A 45 13.486 9.535 -7.667 1.00 0.00 N ATOM 717 CA GLY A 45 12.522 9.619 -6.532 1.00 0.00 C ATOM 718 C GLY A 45 11.383 8.626 -6.763 1.00 0.00 C ATOM 719 O GLY A 45 10.221 8.980 -6.725 1.00 0.00 O ATOM 0 H GLY A 45 14.384 9.105 -7.444 1.00 0.00 H new ATOM 0 HA2 GLY A 45 13.028 9.397 -5.593 1.00 0.00 H new ATOM 0 HA3 GLY A 45 12.126 10.631 -6.450 1.00 0.00 H new ATOM 723 N TRP A 46 11.705 7.385 -7.004 1.00 0.00 N ATOM 724 CA TRP A 46 10.638 6.370 -7.238 1.00 0.00 C ATOM 725 C TRP A 46 10.975 5.065 -6.516 1.00 0.00 C ATOM 726 O TRP A 46 11.873 4.343 -6.903 1.00 0.00 O ATOM 727 CB TRP A 46 10.620 6.153 -8.751 1.00 0.00 C ATOM 728 CG TRP A 46 9.738 7.174 -9.394 1.00 0.00 C ATOM 729 CD1 TRP A 46 10.161 8.149 -10.232 1.00 0.00 C ATOM 730 CD2 TRP A 46 8.295 7.338 -9.270 1.00 0.00 C ATOM 731 NE1 TRP A 46 9.070 8.900 -10.630 1.00 0.00 N ATOM 732 CE2 TRP A 46 7.898 8.440 -10.063 1.00 0.00 C ATOM 733 CE3 TRP A 46 7.303 6.645 -8.553 1.00 0.00 C ATOM 734 CZ2 TRP A 46 6.564 8.840 -10.143 1.00 0.00 C ATOM 735 CZ3 TRP A 46 5.959 7.045 -8.631 1.00 0.00 C ATOM 736 CH2 TRP A 46 5.591 8.141 -9.424 1.00 0.00 C ATOM 0 H TRP A 46 12.660 7.030 -7.049 1.00 0.00 H new ATOM 0 HA TRP A 46 9.670 6.700 -6.860 1.00 0.00 H new ATOM 0 HB2 TRP A 46 11.631 6.228 -9.151 1.00 0.00 H new ATOM 0 HB3 TRP A 46 10.260 5.150 -8.980 1.00 0.00 H new ATOM 0 HD1 TRP A 46 11.183 8.314 -10.540 1.00 0.00 H new ATOM 0 HE1 TRP A 46 9.124 9.696 -11.265 1.00 0.00 H new ATOM 0 HE3 TRP A 46 7.577 5.800 -7.939 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 6.285 9.684 -10.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 5.205 6.505 -8.077 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.556 8.445 -9.479 1.00 0.00 H new ATOM 747 N VAL A 47 10.255 4.749 -5.476 1.00 0.00 N ATOM 748 CA VAL A 47 10.527 3.482 -4.737 1.00 0.00 C ATOM 749 C VAL A 47 9.484 2.430 -5.119 1.00 0.00 C ATOM 750 O VAL A 47 8.310 2.728 -5.207 1.00 0.00 O ATOM 751 CB VAL A 47 10.405 3.845 -3.258 1.00 0.00 C ATOM 752 CG1 VAL A 47 10.645 2.596 -2.404 1.00 0.00 C ATOM 753 CG2 VAL A 47 11.447 4.909 -2.906 1.00 0.00 C ATOM 0 H VAL A 47 9.490 5.312 -5.105 1.00 0.00 H new ATOM 0 HA VAL A 47 11.508 3.067 -4.969 1.00 0.00 H new ATOM 0 HB VAL A 47 9.406 4.234 -3.061 1.00 0.00 H new ATOM 0 HG11 VAL A 47 10.558 2.855 -1.349 1.00 0.00 H new ATOM 0 HG12 VAL A 47 9.904 1.837 -2.654 1.00 0.00 H new ATOM 0 HG13 VAL A 47 11.644 2.207 -2.601 1.00 0.00 H new ATOM 0 HG21 VAL A 47 11.360 5.168 -1.851 1.00 0.00 H new ATOM 0 HG22 VAL A 47 12.446 4.519 -3.103 1.00 0.00 H new ATOM 0 HG23 VAL A 47 11.278 5.798 -3.513 1.00 0.00 H new ATOM 763 N PRO A 48 9.945 1.230 -5.335 1.00 0.00 N ATOM 764 CA PRO A 48 9.049 0.130 -5.712 1.00 0.00 C ATOM 765 C PRO A 48 8.480 -0.526 -4.455 1.00 0.00 C ATOM 766 O PRO A 48 9.087 -0.517 -3.402 1.00 0.00 O ATOM 767 CB PRO A 48 9.955 -0.838 -6.468 1.00 0.00 C ATOM 768 CG PRO A 48 11.367 -0.424 -6.160 1.00 0.00 C ATOM 769 CD PRO A 48 11.323 0.779 -5.249 1.00 0.00 C ATOM 0 HA PRO A 48 8.197 0.452 -6.311 1.00 0.00 H new ATOM 0 HB2 PRO A 48 9.774 -1.866 -6.153 1.00 0.00 H new ATOM 0 HB3 PRO A 48 9.762 -0.794 -7.540 1.00 0.00 H new ATOM 0 HG2 PRO A 48 11.906 -1.242 -5.682 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.901 -0.184 -7.079 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.595 0.516 -4.227 1.00 0.00 H new ATOM 0 HD3 PRO A 48 12.018 1.553 -5.575 1.00 0.00 H new ATOM 777 N LEU A 49 7.313 -1.079 -4.560 1.00 0.00 N ATOM 778 CA LEU A 49 6.678 -1.726 -3.373 1.00 0.00 C ATOM 779 C LEU A 49 7.512 -2.912 -2.879 1.00 0.00 C ATOM 780 O LEU A 49 7.158 -3.565 -1.918 1.00 0.00 O ATOM 781 CB LEU A 49 5.319 -2.219 -3.873 1.00 0.00 C ATOM 782 CG LEU A 49 4.478 -1.032 -4.341 1.00 0.00 C ATOM 783 CD1 LEU A 49 3.242 -1.550 -5.079 1.00 0.00 C ATOM 784 CD2 LEU A 49 4.041 -0.208 -3.129 1.00 0.00 C ATOM 0 H LEU A 49 6.763 -1.115 -5.418 1.00 0.00 H new ATOM 0 HA LEU A 49 6.593 -1.032 -2.537 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.457 -2.924 -4.692 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.800 -2.753 -3.077 1.00 0.00 H new ATOM 0 HG LEU A 49 5.068 -0.406 -5.010 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.639 -0.707 -5.415 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.554 -2.140 -5.941 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.652 -2.173 -4.407 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.441 0.639 -3.462 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.448 -0.832 -2.460 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.922 0.157 -2.600 1.00 0.00 H new ATOM 796 N GLU A 50 8.619 -3.195 -3.509 1.00 0.00 N ATOM 797 CA GLU A 50 9.452 -4.338 -3.040 1.00 0.00 C ATOM 798 C GLU A 50 9.963 -4.041 -1.633 1.00 0.00 C ATOM 799 O GLU A 50 9.897 -4.866 -0.743 1.00 0.00 O ATOM 800 CB GLU A 50 10.613 -4.441 -4.029 1.00 0.00 C ATOM 801 CG GLU A 50 11.499 -3.201 -3.928 1.00 0.00 C ATOM 802 CD GLU A 50 12.594 -3.272 -4.994 1.00 0.00 C ATOM 803 OE1 GLU A 50 12.261 -3.523 -6.141 1.00 0.00 O ATOM 804 OE2 GLU A 50 13.747 -3.073 -4.646 1.00 0.00 O ATOM 0 H GLU A 50 8.980 -2.691 -4.319 1.00 0.00 H new ATOM 0 HA GLU A 50 8.893 -5.273 -2.998 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.200 -5.335 -3.821 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.229 -4.541 -5.044 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.900 -2.300 -4.065 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.945 -3.139 -2.936 1.00 0.00 H new ATOM 811 N ILE A 51 10.456 -2.856 -1.432 1.00 0.00 N ATOM 812 CA ILE A 51 10.962 -2.471 -0.085 1.00 0.00 C ATOM 813 C ILE A 51 9.797 -2.402 0.901 1.00 0.00 C ATOM 814 O ILE A 51 9.933 -2.712 2.068 1.00 0.00 O ATOM 815 CB ILE A 51 11.572 -1.084 -0.273 1.00 0.00 C ATOM 816 CG1 ILE A 51 12.756 -1.172 -1.235 1.00 0.00 C ATOM 817 CG2 ILE A 51 12.053 -0.550 1.076 1.00 0.00 C ATOM 818 CD1 ILE A 51 13.201 0.239 -1.616 1.00 0.00 C ATOM 0 H ILE A 51 10.532 -2.131 -2.145 1.00 0.00 H new ATOM 0 HA ILE A 51 11.685 -3.186 0.308 1.00 0.00 H new ATOM 0 HB ILE A 51 10.819 -0.411 -0.683 1.00 0.00 H new ATOM 0 HG12 ILE A 51 13.580 -1.712 -0.768 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.474 -1.730 -2.128 1.00 0.00 H new ATOM 0 HG21 ILE A 51 12.488 0.440 0.941 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.209 -0.485 1.763 1.00 0.00 H new ATOM 0 HG23 ILE A 51 12.805 -1.224 1.487 1.00 0.00 H new ATOM 0 HD11 ILE A 51 14.046 0.181 -2.302 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.376 0.763 -2.099 1.00 0.00 H new ATOM 0 HD13 ILE A 51 13.499 0.781 -0.719 1.00 0.00 H new ATOM 830 N MET A 52 8.645 -2.013 0.429 1.00 0.00 N ATOM 831 CA MET A 52 7.459 -1.938 1.327 1.00 0.00 C ATOM 832 C MET A 52 6.895 -3.341 1.560 1.00 0.00 C ATOM 833 O MET A 52 6.550 -3.710 2.663 1.00 0.00 O ATOM 834 CB MET A 52 6.449 -1.065 0.582 1.00 0.00 C ATOM 835 CG MET A 52 6.475 0.351 1.160 1.00 0.00 C ATOM 836 SD MET A 52 8.184 0.942 1.238 1.00 0.00 S ATOM 837 CE MET A 52 7.953 2.135 2.579 1.00 0.00 C ATOM 0 H MET A 52 8.474 -1.744 -0.540 1.00 0.00 H new ATOM 0 HA MET A 52 7.702 -1.524 2.306 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.688 -1.040 -0.481 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.449 -1.488 0.674 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.876 1.019 0.541 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.032 0.357 2.156 1.00 0.00 H new ATOM 0 HE1 MET A 52 8.883 2.677 2.748 1.00 0.00 H new ATOM 0 HE2 MET A 52 7.167 2.840 2.308 1.00 0.00 H new ATOM 0 HE3 MET A 52 7.669 1.608 3.490 1.00 0.00 H new ATOM 847 N ILE A 53 6.793 -4.122 0.517 1.00 0.00 N ATOM 848 CA ILE A 53 6.242 -5.501 0.662 1.00 0.00 C ATOM 849 C ILE A 53 7.314 -6.461 1.183 1.00 0.00 C ATOM 850 O ILE A 53 7.075 -7.643 1.332 1.00 0.00 O ATOM 851 CB ILE A 53 5.805 -5.907 -0.745 1.00 0.00 C ATOM 852 CG1 ILE A 53 7.043 -6.158 -1.609 1.00 0.00 C ATOM 853 CG2 ILE A 53 4.966 -4.789 -1.364 1.00 0.00 C ATOM 854 CD1 ILE A 53 7.076 -7.626 -2.037 1.00 0.00 C ATOM 0 H ILE A 53 7.068 -3.864 -0.431 1.00 0.00 H new ATOM 0 HA ILE A 53 5.418 -5.534 1.374 1.00 0.00 H new ATOM 0 HB ILE A 53 5.208 -6.817 -0.692 1.00 0.00 H new ATOM 0 HG12 ILE A 53 7.024 -5.512 -2.487 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.946 -5.910 -1.051 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.655 -5.080 -2.367 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.084 -4.612 -0.748 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.559 -3.876 -1.419 1.00 0.00 H new ATOM 0 HD11 ILE A 53 7.957 -7.806 -2.652 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.115 -8.262 -1.153 1.00 0.00 H new ATOM 0 HD13 ILE A 53 6.179 -7.858 -2.611 1.00 0.00 H new ATOM 866 N LYS A 54 8.489 -5.975 1.470 1.00 0.00 N ATOM 867 CA LYS A 54 9.554 -6.876 1.989 1.00 0.00 C ATOM 868 C LYS A 54 9.908 -6.481 3.423 1.00 0.00 C ATOM 869 O LYS A 54 10.465 -7.255 4.175 1.00 0.00 O ATOM 870 CB LYS A 54 10.750 -6.660 1.060 1.00 0.00 C ATOM 871 CG LYS A 54 11.857 -7.655 1.414 1.00 0.00 C ATOM 872 CD LYS A 54 12.884 -7.703 0.280 1.00 0.00 C ATOM 873 CE LYS A 54 13.731 -6.429 0.303 1.00 0.00 C ATOM 874 NZ LYS A 54 13.873 -6.035 -1.127 1.00 0.00 N ATOM 0 H LYS A 54 8.757 -4.996 1.368 1.00 0.00 H new ATOM 0 HA LYS A 54 9.244 -7.921 2.008 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.446 -6.792 0.022 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.119 -5.639 1.157 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.341 -7.360 2.345 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.432 -8.646 1.576 1.00 0.00 H new ATOM 0 HD2 LYS A 54 13.523 -8.579 0.391 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.377 -7.798 -0.680 1.00 0.00 H new ATOM 0 HE2 LYS A 54 13.247 -5.643 0.883 1.00 0.00 H new ATOM 0 HE3 LYS A 54 14.703 -6.610 0.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 14.443 -5.168 -1.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 14.343 -6.799 -1.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.932 -5.863 -1.535 1.00 0.00 H new ATOM 888 N PHE A 55 9.581 -5.276 3.808 1.00 0.00 N ATOM 889 CA PHE A 55 9.890 -4.823 5.192 1.00 0.00 C ATOM 890 C PHE A 55 8.933 -5.491 6.185 1.00 0.00 C ATOM 891 O PHE A 55 7.792 -5.766 5.872 1.00 0.00 O ATOM 892 CB PHE A 55 9.676 -3.309 5.169 1.00 0.00 C ATOM 893 CG PHE A 55 11.010 -2.612 5.038 1.00 0.00 C ATOM 894 CD1 PHE A 55 12.090 -3.018 5.832 1.00 0.00 C ATOM 895 CD2 PHE A 55 11.170 -1.561 4.124 1.00 0.00 C ATOM 896 CE1 PHE A 55 13.327 -2.375 5.713 1.00 0.00 C ATOM 897 CE2 PHE A 55 12.408 -0.918 4.007 1.00 0.00 C ATOM 898 CZ PHE A 55 13.486 -1.325 4.801 1.00 0.00 C ATOM 0 H PHE A 55 9.112 -4.586 3.221 1.00 0.00 H new ATOM 0 HA PHE A 55 10.902 -5.083 5.501 1.00 0.00 H new ATOM 0 HB2 PHE A 55 9.028 -3.036 4.336 1.00 0.00 H new ATOM 0 HB3 PHE A 55 9.175 -2.988 6.082 1.00 0.00 H new ATOM 0 HD1 PHE A 55 11.968 -3.828 6.536 1.00 0.00 H new ATOM 0 HD2 PHE A 55 10.338 -1.248 3.510 1.00 0.00 H new ATOM 0 HE1 PHE A 55 14.160 -2.689 6.325 1.00 0.00 H new ATOM 0 HE2 PHE A 55 12.531 -0.108 3.304 1.00 0.00 H new ATOM 0 HZ PHE A 55 14.441 -0.829 4.710 1.00 0.00 H new ATOM 908 N ASN A 56 9.390 -5.757 7.377 1.00 0.00 N ATOM 909 CA ASN A 56 8.508 -6.412 8.386 1.00 0.00 C ATOM 910 C ASN A 56 7.236 -5.587 8.602 1.00 0.00 C ATOM 911 O ASN A 56 6.228 -6.091 9.058 1.00 0.00 O ATOM 912 CB ASN A 56 9.340 -6.458 9.669 1.00 0.00 C ATOM 913 CG ASN A 56 10.644 -7.213 9.406 1.00 0.00 C ATOM 914 OD1 ASN A 56 10.638 -8.267 8.802 1.00 0.00 O ATOM 915 ND2 ASN A 56 11.770 -6.714 9.836 1.00 0.00 N ATOM 0 H ASN A 56 10.336 -5.550 7.697 1.00 0.00 H new ATOM 0 HA ASN A 56 8.189 -7.405 8.068 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.556 -5.446 10.011 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.777 -6.949 10.463 1.00 0.00 H new ATOM 0 HD21 ASN A 56 12.645 -7.209 9.665 1.00 0.00 H new ATOM 0 HD22 ASN A 56 11.775 -5.829 10.343 1.00 0.00 H new ATOM 922 N ARG A 57 7.274 -4.322 8.284 1.00 0.00 N ATOM 923 CA ARG A 57 6.066 -3.467 8.477 1.00 0.00 C ATOM 924 C ARG A 57 4.926 -3.929 7.563 1.00 0.00 C ATOM 925 O ARG A 57 3.790 -4.035 7.980 1.00 0.00 O ATOM 926 CB ARG A 57 6.517 -2.056 8.101 1.00 0.00 C ATOM 927 CG ARG A 57 6.041 -1.068 9.167 1.00 0.00 C ATOM 928 CD ARG A 57 7.253 -0.436 9.856 1.00 0.00 C ATOM 929 NE ARG A 57 7.729 -1.467 10.819 1.00 0.00 N ATOM 930 CZ ARG A 57 8.653 -1.168 11.692 1.00 0.00 C ATOM 931 NH1 ARG A 57 9.160 0.035 11.722 1.00 0.00 N ATOM 932 NH2 ARG A 57 9.071 -2.073 12.534 1.00 0.00 N ATOM 0 H ARG A 57 8.088 -3.843 7.899 1.00 0.00 H new ATOM 0 HA ARG A 57 5.687 -3.518 9.498 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.603 -2.020 8.016 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.112 -1.780 7.127 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.424 -0.294 8.711 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.419 -1.580 9.901 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.029 -0.182 9.134 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.979 0.486 10.368 1.00 0.00 H new ATOM 0 HE ARG A 57 7.333 -2.407 10.797 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.834 0.742 11.063 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.882 0.267 12.404 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.676 -3.013 12.510 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.793 -1.840 13.216 1.00 0.00 H new ATOM 946 N LEU A 58 5.217 -4.200 6.319 1.00 0.00 N ATOM 947 CA LEU A 58 4.141 -4.649 5.386 1.00 0.00 C ATOM 948 C LEU A 58 4.208 -6.165 5.184 1.00 0.00 C ATOM 949 O LEU A 58 3.199 -6.830 5.076 1.00 0.00 O ATOM 950 CB LEU A 58 4.427 -3.922 4.070 1.00 0.00 C ATOM 951 CG LEU A 58 3.131 -3.313 3.529 1.00 0.00 C ATOM 952 CD1 LEU A 58 3.169 -1.794 3.702 1.00 0.00 C ATOM 953 CD2 LEU A 58 2.992 -3.652 2.043 1.00 0.00 C ATOM 0 H LEU A 58 6.148 -4.131 5.909 1.00 0.00 H new ATOM 0 HA LEU A 58 3.146 -4.425 5.770 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.170 -3.140 4.228 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.846 -4.617 3.342 1.00 0.00 H new ATOM 0 HG LEU A 58 2.282 -3.720 4.078 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.246 -1.361 3.317 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.270 -1.551 4.760 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.018 -1.386 3.153 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.070 -3.219 1.656 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.842 -3.244 1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.965 -4.734 1.918 1.00 0.00 H new ATOM 965 N ASN A 59 5.391 -6.714 5.131 1.00 0.00 N ATOM 966 CA ASN A 59 5.519 -8.187 4.934 1.00 0.00 C ATOM 967 C ASN A 59 4.735 -8.934 6.015 1.00 0.00 C ATOM 968 O ASN A 59 4.361 -10.078 5.845 1.00 0.00 O ATOM 969 CB ASN A 59 7.017 -8.474 5.052 1.00 0.00 C ATOM 970 CG ASN A 59 7.235 -9.964 5.320 1.00 0.00 C ATOM 971 OD1 ASN A 59 6.730 -10.804 4.601 1.00 0.00 O ATOM 972 ND2 ASN A 59 7.972 -10.332 6.332 1.00 0.00 N ATOM 0 H ASN A 59 6.273 -6.208 5.215 1.00 0.00 H new ATOM 0 HA ASN A 59 5.120 -8.514 3.974 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.527 -8.181 4.134 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.448 -7.882 5.859 1.00 0.00 H new ATOM 0 HD21 ASN A 59 8.124 -11.323 6.519 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.397 -9.628 6.936 1.00 0.00 H new ATOM 979 N ARG A 60 4.481 -8.298 7.124 1.00 0.00 N ATOM 980 CA ARG A 60 3.717 -8.974 8.211 1.00 0.00 C ATOM 981 C ARG A 60 2.217 -8.928 7.906 1.00 0.00 C ATOM 982 O ARG A 60 1.415 -9.530 8.592 1.00 0.00 O ATOM 983 CB ARG A 60 4.033 -8.173 9.474 1.00 0.00 C ATOM 984 CG ARG A 60 3.405 -8.863 10.687 1.00 0.00 C ATOM 985 CD ARG A 60 2.225 -8.031 11.195 1.00 0.00 C ATOM 986 NE ARG A 60 2.758 -6.646 11.325 1.00 0.00 N ATOM 987 CZ ARG A 60 3.530 -6.335 12.331 1.00 0.00 C ATOM 988 NH1 ARG A 60 3.836 -7.236 13.224 1.00 0.00 N ATOM 989 NH2 ARG A 60 3.997 -5.122 12.443 1.00 0.00 N ATOM 0 H ARG A 60 4.769 -7.340 7.325 1.00 0.00 H new ATOM 0 HA ARG A 60 3.988 -10.024 8.317 1.00 0.00 H new ATOM 0 HB2 ARG A 60 5.112 -8.093 9.606 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.647 -7.158 9.380 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.068 -9.863 10.415 1.00 0.00 H new ATOM 0 HG3 ARG A 60 4.147 -8.980 11.476 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.387 -8.068 10.499 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.861 -8.405 12.152 1.00 0.00 H new ATOM 0 HE ARG A 60 2.520 -5.940 10.628 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.472 -8.185 13.137 1.00 0.00 H new ATOM 0 HH12 ARG A 60 4.439 -6.991 14.009 1.00 0.00 H new ATOM 0 HH21 ARG A 60 3.759 -4.417 11.745 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.600 -4.878 13.229 1.00 0.00 H new ATOM 1003 N LEU A 61 1.833 -8.216 6.881 1.00 0.00 N ATOM 1004 CA LEU A 61 0.386 -8.130 6.530 1.00 0.00 C ATOM 1005 C LEU A 61 0.184 -8.389 5.033 1.00 0.00 C ATOM 1006 O LEU A 61 0.757 -9.301 4.471 1.00 0.00 O ATOM 1007 CB LEU A 61 -0.023 -6.700 6.891 1.00 0.00 C ATOM 1008 CG LEU A 61 0.217 -6.459 8.383 1.00 0.00 C ATOM 1009 CD1 LEU A 61 0.693 -5.022 8.597 1.00 0.00 C ATOM 1010 CD2 LEU A 61 -1.087 -6.684 9.150 1.00 0.00 C ATOM 0 H LEU A 61 2.459 -7.690 6.271 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.212 -8.871 7.060 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.551 -5.987 6.300 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.074 -6.540 6.651 1.00 0.00 H new ATOM 0 HG LEU A 61 0.977 -7.151 8.746 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.864 -4.850 9.660 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.621 -4.861 8.049 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.067 -4.329 8.235 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.918 -6.513 10.213 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.847 -5.992 8.787 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.427 -7.708 8.997 1.00 0.00 H new ATOM 1022 N THR A 62 -0.626 -7.596 4.383 1.00 0.00 N ATOM 1023 CA THR A 62 -0.863 -7.798 2.923 1.00 0.00 C ATOM 1024 C THR A 62 0.449 -8.138 2.211 1.00 0.00 C ATOM 1025 O THR A 62 0.779 -9.291 2.012 1.00 0.00 O ATOM 1026 CB THR A 62 -1.415 -6.461 2.425 1.00 0.00 C ATOM 1027 OG1 THR A 62 -2.771 -6.331 2.830 1.00 0.00 O ATOM 1028 CG2 THR A 62 -1.330 -6.406 0.899 1.00 0.00 C ATOM 0 H THR A 62 -1.134 -6.816 4.800 1.00 0.00 H new ATOM 0 HA THR A 62 -1.549 -8.622 2.727 1.00 0.00 H new ATOM 0 HB THR A 62 -0.828 -5.646 2.848 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.355 -6.397 2.045 1.00 0.00 H new ATOM 0 HG21 THR A 62 -1.724 -5.453 0.547 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.290 -6.506 0.589 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.916 -7.220 0.472 1.00 0.00 H new ATOM 1036 N THR A 63 1.200 -7.140 1.822 1.00 0.00 N ATOM 1037 CA THR A 63 2.493 -7.399 1.121 1.00 0.00 C ATOM 1038 C THR A 63 2.239 -7.885 -0.310 1.00 0.00 C ATOM 1039 O THR A 63 3.161 -8.133 -1.062 1.00 0.00 O ATOM 1040 CB THR A 63 3.184 -8.491 1.938 1.00 0.00 C ATOM 1041 OG1 THR A 63 2.895 -8.304 3.316 1.00 0.00 O ATOM 1042 CG2 THR A 63 4.696 -8.417 1.716 1.00 0.00 C ATOM 0 H THR A 63 0.973 -6.155 1.960 1.00 0.00 H new ATOM 0 HA THR A 63 3.102 -6.498 1.047 1.00 0.00 H new ATOM 0 HB THR A 63 2.820 -9.468 1.620 1.00 0.00 H new ATOM 0 HG1 THR A 63 2.932 -7.349 3.531 1.00 0.00 H new ATOM 0 HG21 THR A 63 5.188 -9.196 2.299 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.916 -8.562 0.658 1.00 0.00 H new ATOM 0 HG23 THR A 63 5.063 -7.441 2.033 1.00 0.00 H new ATOM 1050 N ASP A 64 1.000 -8.020 -0.694 1.00 0.00 N ATOM 1051 CA ASP A 64 0.696 -8.489 -2.076 1.00 0.00 C ATOM 1052 C ASP A 64 0.704 -7.305 -3.047 1.00 0.00 C ATOM 1053 O ASP A 64 -0.168 -6.460 -3.016 1.00 0.00 O ATOM 1054 CB ASP A 64 -0.701 -9.102 -1.990 1.00 0.00 C ATOM 1055 CG ASP A 64 -0.593 -10.628 -2.053 1.00 0.00 C ATOM 1056 OD1 ASP A 64 0.206 -11.113 -2.837 1.00 0.00 O ATOM 1057 OD2 ASP A 64 -1.311 -11.284 -1.316 1.00 0.00 O ATOM 0 H ASP A 64 0.185 -7.826 -0.112 1.00 0.00 H new ATOM 0 HA ASP A 64 1.432 -9.206 -2.440 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.186 -8.799 -1.062 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.321 -8.736 -2.808 1.00 0.00 H new ATOM 1062 N PHE A 65 1.686 -7.236 -3.906 1.00 0.00 N ATOM 1063 CA PHE A 65 1.751 -6.105 -4.875 1.00 0.00 C ATOM 1064 C PHE A 65 0.354 -5.793 -5.419 1.00 0.00 C ATOM 1065 O PHE A 65 -0.031 -4.647 -5.541 1.00 0.00 O ATOM 1066 CB PHE A 65 2.661 -6.594 -6.003 1.00 0.00 C ATOM 1067 CG PHE A 65 4.106 -6.497 -5.574 1.00 0.00 C ATOM 1068 CD1 PHE A 65 4.562 -5.365 -4.888 1.00 0.00 C ATOM 1069 CD2 PHE A 65 4.994 -7.539 -5.869 1.00 0.00 C ATOM 1070 CE1 PHE A 65 5.903 -5.276 -4.497 1.00 0.00 C ATOM 1071 CE2 PHE A 65 6.335 -7.449 -5.478 1.00 0.00 C ATOM 1072 CZ PHE A 65 6.789 -6.317 -4.793 1.00 0.00 C ATOM 0 H PHE A 65 2.445 -7.914 -3.978 1.00 0.00 H new ATOM 0 HA PHE A 65 2.128 -5.192 -4.413 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.417 -7.625 -6.259 1.00 0.00 H new ATOM 0 HB3 PHE A 65 2.497 -5.996 -6.900 1.00 0.00 H new ATOM 0 HD1 PHE A 65 3.879 -4.560 -4.660 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.644 -8.413 -6.399 1.00 0.00 H new ATOM 0 HE1 PHE A 65 6.254 -4.403 -3.966 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.019 -8.253 -5.705 1.00 0.00 H new ATOM 0 HZ PHE A 65 7.824 -6.247 -4.493 1.00 0.00 H new ATOM 1082 N ASN A 66 -0.406 -6.798 -5.754 1.00 0.00 N ATOM 1083 CA ASN A 66 -1.773 -6.543 -6.293 1.00 0.00 C ATOM 1084 C ASN A 66 -2.703 -6.048 -5.182 1.00 0.00 C ATOM 1085 O ASN A 66 -3.471 -5.125 -5.370 1.00 0.00 O ATOM 1086 CB ASN A 66 -2.247 -7.896 -6.824 1.00 0.00 C ATOM 1087 CG ASN A 66 -1.698 -8.113 -8.235 1.00 0.00 C ATOM 1088 OD1 ASN A 66 -0.591 -7.519 -8.590 1.00 0.00 O flip ATOM 1089 ND2 ASN A 66 -2.282 -8.829 -9.024 1.00 0.00 N flip ATOM 0 H ASN A 66 -0.143 -7.781 -5.679 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.772 -5.776 -7.067 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -1.910 -8.696 -6.164 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -3.336 -7.932 -6.837 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -3.147 -9.294 -8.748 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.907 -8.966 -9.963 1.00 0.00 H new ATOM 1096 N VAL A 67 -2.644 -6.652 -4.025 1.00 0.00 N ATOM 1097 CA VAL A 67 -3.529 -6.212 -2.906 1.00 0.00 C ATOM 1098 C VAL A 67 -3.072 -4.857 -2.354 1.00 0.00 C ATOM 1099 O VAL A 67 -3.876 -4.000 -2.046 1.00 0.00 O ATOM 1100 CB VAL A 67 -3.386 -7.299 -1.841 1.00 0.00 C ATOM 1101 CG1 VAL A 67 -4.326 -6.996 -0.673 1.00 0.00 C ATOM 1102 CG2 VAL A 67 -3.749 -8.655 -2.447 1.00 0.00 C ATOM 0 H VAL A 67 -2.022 -7.430 -3.806 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.562 -6.084 -3.229 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.357 -7.323 -1.482 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.224 -7.771 0.087 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.069 -6.029 -0.241 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.355 -6.972 -1.031 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.647 -9.431 -1.689 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.778 -8.630 -2.805 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.080 -8.872 -3.280 1.00 0.00 H new ATOM 1112 N ILE A 68 -1.789 -4.665 -2.214 1.00 0.00 N ATOM 1113 CA ILE A 68 -1.283 -3.372 -1.665 1.00 0.00 C ATOM 1114 C ILE A 68 -1.659 -2.216 -2.591 1.00 0.00 C ATOM 1115 O ILE A 68 -2.150 -1.194 -2.156 1.00 0.00 O ATOM 1116 CB ILE A 68 0.236 -3.546 -1.606 1.00 0.00 C ATOM 1117 CG1 ILE A 68 0.843 -2.443 -0.730 1.00 0.00 C ATOM 1118 CG2 ILE A 68 0.826 -3.476 -3.015 1.00 0.00 C ATOM 1119 CD1 ILE A 68 1.951 -1.716 -1.497 1.00 0.00 C ATOM 0 H ILE A 68 -1.069 -5.346 -2.455 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.709 -3.139 -0.689 1.00 0.00 H new ATOM 0 HB ILE A 68 0.470 -4.520 -1.175 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.069 -1.735 -0.434 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.246 -2.875 0.186 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.908 -3.601 -2.963 1.00 0.00 H new ATOM 0 HG22 ILE A 68 0.398 -4.269 -3.628 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.593 -2.508 -3.459 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.377 -0.934 -0.868 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.731 -2.427 -1.770 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.535 -1.269 -2.400 1.00 0.00 H new ATOM 1131 N VAL A 69 -1.437 -2.372 -3.862 1.00 0.00 N ATOM 1132 CA VAL A 69 -1.786 -1.280 -4.817 1.00 0.00 C ATOM 1133 C VAL A 69 -3.307 -1.135 -4.928 1.00 0.00 C ATOM 1134 O VAL A 69 -3.827 -0.048 -5.081 1.00 0.00 O ATOM 1135 CB VAL A 69 -1.195 -1.708 -6.159 1.00 0.00 C ATOM 1136 CG1 VAL A 69 0.327 -1.805 -6.039 1.00 0.00 C ATOM 1137 CG2 VAL A 69 -1.766 -3.070 -6.559 1.00 0.00 C ATOM 0 H VAL A 69 -1.030 -3.206 -4.285 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.395 -0.316 -4.490 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.452 -0.971 -6.920 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.749 -2.110 -6.997 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.732 -0.833 -5.757 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.586 -2.541 -5.277 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.344 -3.375 -7.517 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.512 -3.809 -5.799 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.850 -2.998 -6.647 1.00 0.00 H new ATOM 1147 N GLU A 70 -4.023 -2.223 -4.855 1.00 0.00 N ATOM 1148 CA GLU A 70 -5.508 -2.148 -4.958 1.00 0.00 C ATOM 1149 C GLU A 70 -6.069 -1.243 -3.859 1.00 0.00 C ATOM 1150 O GLU A 70 -7.011 -0.505 -4.068 1.00 0.00 O ATOM 1151 CB GLU A 70 -5.992 -3.585 -4.771 1.00 0.00 C ATOM 1152 CG GLU A 70 -7.508 -3.644 -4.970 1.00 0.00 C ATOM 1153 CD GLU A 70 -7.819 -4.058 -6.409 1.00 0.00 C ATOM 1154 OE1 GLU A 70 -7.690 -3.220 -7.286 1.00 0.00 O ATOM 1155 OE2 GLU A 70 -8.182 -5.205 -6.610 1.00 0.00 O ATOM 0 H GLU A 70 -3.644 -3.161 -4.728 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.835 -1.730 -5.910 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.495 -4.243 -5.484 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.731 -3.941 -3.774 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.949 -4.356 -4.272 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.951 -2.671 -4.756 1.00 0.00 H new ATOM 1162 N ALA A 71 -5.497 -1.295 -2.687 1.00 0.00 N ATOM 1163 CA ALA A 71 -6.000 -0.438 -1.576 1.00 0.00 C ATOM 1164 C ALA A 71 -5.708 1.036 -1.869 1.00 0.00 C ATOM 1165 O ALA A 71 -6.503 1.906 -1.574 1.00 0.00 O ATOM 1166 CB ALA A 71 -5.232 -0.902 -0.338 1.00 0.00 C ATOM 0 H ALA A 71 -4.705 -1.893 -2.451 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.078 -0.526 -1.443 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.547 -0.317 0.526 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.438 -1.957 -0.156 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.163 -0.763 -0.500 1.00 0.00 H new ATOM 1172 N LEU A 72 -4.575 1.324 -2.450 1.00 0.00 N ATOM 1173 CA LEU A 72 -4.239 2.745 -2.760 1.00 0.00 C ATOM 1174 C LEU A 72 -5.073 3.238 -3.946 1.00 0.00 C ATOM 1175 O LEU A 72 -5.371 4.410 -4.063 1.00 0.00 O ATOM 1176 CB LEU A 72 -2.752 2.736 -3.123 1.00 0.00 C ATOM 1177 CG LEU A 72 -1.975 1.895 -2.109 1.00 0.00 C ATOM 1178 CD1 LEU A 72 -0.479 2.182 -2.249 1.00 0.00 C ATOM 1179 CD2 LEU A 72 -2.430 2.251 -0.692 1.00 0.00 C ATOM 0 H LEU A 72 -3.869 0.640 -2.723 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.450 3.408 -1.921 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.616 2.331 -4.126 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.365 3.755 -3.136 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.163 0.838 -2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.076 1.583 -1.527 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.153 1.928 -3.258 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.292 3.240 -2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.876 1.651 0.030 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.243 3.308 -0.505 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.496 2.048 -0.590 1.00 0.00 H new ATOM 1191 N SER A 73 -5.447 2.351 -4.827 1.00 0.00 N ATOM 1192 CA SER A 73 -6.256 2.768 -6.008 1.00 0.00 C ATOM 1193 C SER A 73 -7.543 3.469 -5.560 1.00 0.00 C ATOM 1194 O SER A 73 -8.156 4.198 -6.314 1.00 0.00 O ATOM 1195 CB SER A 73 -6.584 1.468 -6.740 1.00 0.00 C ATOM 1196 OG SER A 73 -7.877 1.024 -6.353 1.00 0.00 O ATOM 0 H SER A 73 -5.228 1.356 -4.780 1.00 0.00 H new ATOM 0 HA SER A 73 -5.719 3.474 -6.642 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.549 1.625 -7.818 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.840 0.707 -6.504 1.00 0.00 H new ATOM 0 HG SER A 73 -7.804 0.459 -5.556 1.00 0.00 H new ATOM 1202 N LYS A 74 -7.960 3.254 -4.343 1.00 0.00 N ATOM 1203 CA LYS A 74 -9.211 3.910 -3.862 1.00 0.00 C ATOM 1204 C LYS A 74 -8.880 5.046 -2.891 1.00 0.00 C ATOM 1205 O LYS A 74 -9.679 5.932 -2.663 1.00 0.00 O ATOM 1206 CB LYS A 74 -9.984 2.803 -3.144 1.00 0.00 C ATOM 1207 CG LYS A 74 -11.414 2.745 -3.685 1.00 0.00 C ATOM 1208 CD LYS A 74 -12.345 2.179 -2.610 1.00 0.00 C ATOM 1209 CE LYS A 74 -12.384 3.132 -1.413 1.00 0.00 C ATOM 1210 NZ LYS A 74 -13.445 2.586 -0.522 1.00 0.00 N ATOM 0 H LYS A 74 -7.492 2.655 -3.662 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.784 4.350 -4.678 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.488 1.844 -3.293 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.997 2.992 -2.071 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.744 3.742 -3.978 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -11.451 2.121 -4.578 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.348 2.047 -3.016 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.997 1.196 -2.294 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.421 3.167 -0.904 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.616 4.150 -1.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.532 3.186 0.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -14.352 2.571 -1.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.193 1.619 -0.235 1.00 0.00 H new ATOM 1224 N SER A 75 -7.718 5.017 -2.299 1.00 0.00 N ATOM 1225 CA SER A 75 -7.348 6.083 -1.323 1.00 0.00 C ATOM 1226 C SER A 75 -7.454 7.471 -1.960 1.00 0.00 C ATOM 1227 O SER A 75 -7.367 7.630 -3.161 1.00 0.00 O ATOM 1228 CB SER A 75 -5.900 5.780 -0.942 1.00 0.00 C ATOM 1229 OG SER A 75 -5.405 6.824 -0.113 1.00 0.00 O ATOM 0 H SER A 75 -7.007 4.301 -2.448 1.00 0.00 H new ATOM 0 HA SER A 75 -8.012 6.090 -0.459 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.841 4.826 -0.419 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.287 5.690 -1.839 1.00 0.00 H new ATOM 0 HG SER A 75 -4.661 6.487 0.429 1.00 0.00 H new ATOM 1235 N LYS A 76 -7.643 8.475 -1.147 1.00 0.00 N ATOM 1236 CA LYS A 76 -7.759 9.864 -1.678 1.00 0.00 C ATOM 1237 C LYS A 76 -6.676 10.755 -1.066 1.00 0.00 C ATOM 1238 O LYS A 76 -6.409 11.841 -1.541 1.00 0.00 O ATOM 1239 CB LYS A 76 -9.149 10.338 -1.250 1.00 0.00 C ATOM 1240 CG LYS A 76 -9.234 10.356 0.278 1.00 0.00 C ATOM 1241 CD LYS A 76 -9.407 11.798 0.762 1.00 0.00 C ATOM 1242 CE LYS A 76 -10.408 11.832 1.919 1.00 0.00 C ATOM 1243 NZ LYS A 76 -9.863 10.883 2.929 1.00 0.00 N ATOM 0 H LYS A 76 -7.722 8.393 -0.133 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.630 9.905 -2.760 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.344 11.334 -1.647 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.913 9.677 -1.660 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.072 9.745 0.614 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.331 9.922 0.708 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.448 12.202 1.085 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.759 12.427 -0.056 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.501 12.837 2.331 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.402 11.530 1.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.128 11.201 3.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.253 9.934 2.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.826 10.850 2.850 1.00 0.00 H new ATOM 1257 N ALA A 77 -6.048 10.304 -0.016 1.00 0.00 N ATOM 1258 CA ALA A 77 -4.980 11.125 0.627 1.00 0.00 C ATOM 1259 C ALA A 77 -3.631 10.808 0.005 1.00 0.00 C ATOM 1260 O ALA A 77 -2.585 11.130 0.535 1.00 0.00 O ATOM 1261 CB ALA A 77 -5.008 10.757 2.110 1.00 0.00 C ATOM 0 H ALA A 77 -6.227 9.402 0.426 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.145 12.193 0.488 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -4.245 11.327 2.641 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.989 10.990 2.524 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -4.810 9.691 2.224 1.00 0.00 H new ATOM 1267 N GLU A 78 -3.662 10.176 -1.118 1.00 0.00 N ATOM 1268 CA GLU A 78 -2.399 9.810 -1.820 1.00 0.00 C ATOM 1269 C GLU A 78 -1.512 11.046 -1.993 1.00 0.00 C ATOM 1270 O GLU A 78 -1.529 11.696 -3.021 1.00 0.00 O ATOM 1271 CB GLU A 78 -2.844 9.274 -3.181 1.00 0.00 C ATOM 1272 CG GLU A 78 -1.944 8.106 -3.589 1.00 0.00 C ATOM 1273 CD GLU A 78 -2.566 6.791 -3.115 1.00 0.00 C ATOM 1274 OE1 GLU A 78 -3.769 6.764 -2.922 1.00 0.00 O ATOM 1275 OE2 GLU A 78 -1.827 5.833 -2.955 1.00 0.00 O ATOM 0 H GLU A 78 -4.517 9.889 -1.595 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.815 9.076 -1.264 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.883 8.947 -3.133 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.793 10.065 -3.929 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.818 8.091 -4.672 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -0.952 8.229 -3.154 1.00 0.00 H new ATOM 1282 N LEU A 79 -0.737 11.376 -0.997 1.00 0.00 N ATOM 1283 CA LEU A 79 0.152 12.569 -1.105 1.00 0.00 C ATOM 1284 C LEU A 79 1.265 12.306 -2.121 1.00 0.00 C ATOM 1285 O LEU A 79 1.848 13.219 -2.669 1.00 0.00 O ATOM 1286 CB LEU A 79 0.738 12.751 0.296 1.00 0.00 C ATOM 1287 CG LEU A 79 1.444 11.463 0.723 1.00 0.00 C ATOM 1288 CD1 LEU A 79 2.953 11.706 0.801 1.00 0.00 C ATOM 1289 CD2 LEU A 79 0.928 11.031 2.098 1.00 0.00 C ATOM 0 H LEU A 79 -0.680 10.871 -0.112 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.384 13.456 -1.442 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.441 13.584 0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.053 12.997 1.004 1.00 0.00 H new ATOM 0 HG LEU A 79 1.240 10.680 -0.007 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.454 10.787 1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.323 12.014 -0.177 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.158 12.490 1.530 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.430 10.113 2.403 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.132 11.816 2.826 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.147 10.856 2.045 1.00 0.00 H new ATOM 1301 N MET A 80 1.565 11.061 -2.372 1.00 0.00 N ATOM 1302 CA MET A 80 2.642 10.736 -3.350 1.00 0.00 C ATOM 1303 C MET A 80 2.035 10.386 -4.711 1.00 0.00 C ATOM 1304 O MET A 80 0.897 10.704 -4.994 1.00 0.00 O ATOM 1305 CB MET A 80 3.359 9.524 -2.754 1.00 0.00 C ATOM 1306 CG MET A 80 4.309 9.986 -1.649 1.00 0.00 C ATOM 1307 SD MET A 80 5.586 8.731 -1.389 1.00 0.00 S ATOM 1308 CE MET A 80 4.502 7.285 -1.473 1.00 0.00 C ATOM 0 H MET A 80 1.111 10.255 -1.942 1.00 0.00 H new ATOM 0 HA MET A 80 3.320 11.574 -3.513 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.631 8.819 -2.351 1.00 0.00 H new ATOM 0 HB3 MET A 80 3.915 8.999 -3.531 1.00 0.00 H new ATOM 0 HG2 MET A 80 4.768 10.936 -1.923 1.00 0.00 H new ATOM 0 HG3 MET A 80 3.755 10.154 -0.725 1.00 0.00 H new ATOM 0 HE1 MET A 80 5.068 6.391 -1.212 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.676 7.409 -0.773 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.108 7.184 -2.484 1.00 0.00 H new ATOM 1318 N GLU A 81 2.786 9.735 -5.556 1.00 0.00 N ATOM 1319 CA GLU A 81 2.252 9.368 -6.899 1.00 0.00 C ATOM 1320 C GLU A 81 2.727 7.966 -7.293 1.00 0.00 C ATOM 1321 O GLU A 81 3.722 7.476 -6.798 1.00 0.00 O ATOM 1322 CB GLU A 81 2.825 10.415 -7.853 1.00 0.00 C ATOM 1323 CG GLU A 81 2.596 11.814 -7.277 1.00 0.00 C ATOM 1324 CD GLU A 81 2.573 12.838 -8.413 1.00 0.00 C ATOM 1325 OE1 GLU A 81 2.358 12.434 -9.544 1.00 0.00 O ATOM 1326 OE2 GLU A 81 2.769 14.009 -8.134 1.00 0.00 O ATOM 0 H GLU A 81 3.746 9.441 -5.375 1.00 0.00 H new ATOM 0 HA GLU A 81 1.162 9.351 -6.919 1.00 0.00 H new ATOM 0 HB2 GLU A 81 3.891 10.242 -8.001 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.349 10.331 -8.830 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.655 11.843 -6.728 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.386 12.060 -6.568 1.00 0.00 H new ATOM 1333 N ILE A 82 2.021 7.319 -8.179 1.00 0.00 N ATOM 1334 CA ILE A 82 2.431 5.951 -8.606 1.00 0.00 C ATOM 1335 C ILE A 82 2.641 5.913 -10.122 1.00 0.00 C ATOM 1336 O ILE A 82 1.928 6.551 -10.872 1.00 0.00 O ATOM 1337 CB ILE A 82 1.267 5.045 -8.203 1.00 0.00 C ATOM 1338 CG1 ILE A 82 0.828 5.384 -6.776 1.00 0.00 C ATOM 1339 CG2 ILE A 82 1.713 3.583 -8.264 1.00 0.00 C ATOM 1340 CD1 ILE A 82 -0.464 4.633 -6.446 1.00 0.00 C ATOM 0 H ILE A 82 1.178 7.678 -8.626 1.00 0.00 H new ATOM 0 HA ILE A 82 3.369 5.638 -8.147 1.00 0.00 H new ATOM 0 HB ILE A 82 0.433 5.199 -8.887 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.611 5.110 -6.069 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.672 6.458 -6.678 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.883 2.937 -7.977 1.00 0.00 H new ATOM 0 HG22 ILE A 82 2.027 3.340 -9.279 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.547 3.428 -7.580 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.776 4.875 -5.430 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.246 4.929 -7.146 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.292 3.560 -6.527 1.00 0.00 H new ATOM 1352 N SER A 83 3.613 5.172 -10.580 1.00 0.00 N ATOM 1353 CA SER A 83 3.864 5.100 -12.048 1.00 0.00 C ATOM 1354 C SER A 83 2.650 4.504 -12.764 1.00 0.00 C ATOM 1355 O SER A 83 1.595 4.337 -12.185 1.00 0.00 O ATOM 1356 CB SER A 83 5.079 4.187 -12.203 1.00 0.00 C ATOM 1357 OG SER A 83 5.829 4.595 -13.341 1.00 0.00 O ATOM 0 H SER A 83 4.243 4.615 -10.003 1.00 0.00 H new ATOM 0 HA SER A 83 4.038 6.084 -12.483 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.700 4.233 -11.308 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.759 3.151 -12.316 1.00 0.00 H new ATOM 0 HG SER A 83 6.772 4.692 -13.094 1.00 0.00 H new ATOM 1363 N GLU A 84 2.791 4.190 -14.023 1.00 0.00 N ATOM 1364 CA GLU A 84 1.643 3.613 -14.780 1.00 0.00 C ATOM 1365 C GLU A 84 1.542 2.101 -14.552 1.00 0.00 C ATOM 1366 O GLU A 84 0.550 1.484 -14.887 1.00 0.00 O ATOM 1367 CB GLU A 84 1.952 3.912 -16.248 1.00 0.00 C ATOM 1368 CG GLU A 84 1.343 5.261 -16.633 1.00 0.00 C ATOM 1369 CD GLU A 84 0.545 5.111 -17.929 1.00 0.00 C ATOM 1370 OE1 GLU A 84 0.704 4.094 -18.585 1.00 0.00 O ATOM 1371 OE2 GLU A 84 -0.213 6.013 -18.243 1.00 0.00 O ATOM 0 H GLU A 84 3.650 4.308 -14.560 1.00 0.00 H new ATOM 0 HA GLU A 84 0.691 4.038 -14.461 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.030 3.929 -16.408 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.548 3.124 -16.884 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.694 5.620 -15.834 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.130 6.003 -16.762 1.00 0.00 H new ATOM 1378 N ASP A 85 2.556 1.492 -13.997 1.00 0.00 N ATOM 1379 CA ASP A 85 2.492 0.017 -13.772 1.00 0.00 C ATOM 1380 C ASP A 85 1.879 -0.299 -12.404 1.00 0.00 C ATOM 1381 O ASP A 85 1.516 -1.424 -12.126 1.00 0.00 O ATOM 1382 CB ASP A 85 3.946 -0.453 -13.829 1.00 0.00 C ATOM 1383 CG ASP A 85 4.281 -0.909 -15.250 1.00 0.00 C ATOM 1384 OD1 ASP A 85 3.982 -0.171 -16.174 1.00 0.00 O ATOM 1385 OD2 ASP A 85 4.833 -1.988 -15.390 1.00 0.00 O ATOM 0 H ASP A 85 3.417 1.945 -13.692 1.00 0.00 H new ATOM 0 HA ASP A 85 1.868 -0.482 -14.513 1.00 0.00 H new ATOM 0 HB2 ASP A 85 4.612 0.356 -13.529 1.00 0.00 H new ATOM 0 HB3 ASP A 85 4.102 -1.272 -13.127 1.00 0.00 H new ATOM 1390 N LYS A 86 1.767 0.678 -11.545 1.00 0.00 N ATOM 1391 CA LYS A 86 1.182 0.424 -10.194 1.00 0.00 C ATOM 1392 C LYS A 86 2.107 -0.480 -9.372 1.00 0.00 C ATOM 1393 O LYS A 86 1.685 -1.469 -8.806 1.00 0.00 O ATOM 1394 CB LYS A 86 -0.155 -0.271 -10.459 1.00 0.00 C ATOM 1395 CG LYS A 86 -0.974 -0.310 -9.167 1.00 0.00 C ATOM 1396 CD LYS A 86 -1.264 1.119 -8.700 1.00 0.00 C ATOM 1397 CE LYS A 86 -1.937 1.899 -9.830 1.00 0.00 C ATOM 1398 NZ LYS A 86 -3.144 2.511 -9.208 1.00 0.00 N ATOM 0 H LYS A 86 2.055 1.641 -11.719 1.00 0.00 H new ATOM 0 HA LYS A 86 1.054 1.344 -9.624 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.706 0.260 -11.235 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.015 -1.283 -10.825 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.909 -0.846 -9.333 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.428 -0.852 -8.395 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.909 1.102 -7.821 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.337 1.612 -8.406 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -1.271 2.662 -10.235 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.209 1.242 -10.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.660 3.064 -9.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.762 1.761 -8.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.854 3.136 -8.429 1.00 0.00 H new ATOM 1412 N THR A 87 3.365 -0.145 -9.303 1.00 0.00 N ATOM 1413 CA THR A 87 4.322 -0.981 -8.517 1.00 0.00 C ATOM 1414 C THR A 87 5.433 -0.106 -7.932 1.00 0.00 C ATOM 1415 O THR A 87 6.523 -0.569 -7.660 1.00 0.00 O ATOM 1416 CB THR A 87 4.897 -1.977 -9.526 1.00 0.00 C ATOM 1417 OG1 THR A 87 4.934 -1.376 -10.813 1.00 0.00 O ATOM 1418 CG2 THR A 87 4.019 -3.227 -9.569 1.00 0.00 C ATOM 0 H THR A 87 3.775 0.672 -9.756 1.00 0.00 H new ATOM 0 HA THR A 87 3.840 -1.483 -7.678 1.00 0.00 H new ATOM 0 HB THR A 87 5.907 -2.257 -9.226 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.304 -2.012 -11.461 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.430 -3.936 -10.288 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.992 -3.687 -8.581 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.008 -2.951 -9.868 1.00 0.00 H new ATOM 1426 N LYS A 88 5.165 1.156 -7.743 1.00 0.00 N ATOM 1427 CA LYS A 88 6.206 2.066 -7.182 1.00 0.00 C ATOM 1428 C LYS A 88 5.551 3.335 -6.627 1.00 0.00 C ATOM 1429 O LYS A 88 4.464 3.709 -7.023 1.00 0.00 O ATOM 1430 CB LYS A 88 7.132 2.394 -8.352 1.00 0.00 C ATOM 1431 CG LYS A 88 6.317 2.971 -9.508 1.00 0.00 C ATOM 1432 CD LYS A 88 5.980 1.854 -10.498 1.00 0.00 C ATOM 1433 CE LYS A 88 7.016 1.840 -11.625 1.00 0.00 C ATOM 1434 NZ LYS A 88 6.871 0.504 -12.269 1.00 0.00 N ATOM 0 H LYS A 88 4.270 1.598 -7.952 1.00 0.00 H new ATOM 0 HA LYS A 88 6.754 1.608 -6.358 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.892 3.109 -8.037 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.656 1.495 -8.677 1.00 0.00 H new ATOM 0 HG2 LYS A 88 5.401 3.426 -9.131 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.881 3.758 -10.008 1.00 0.00 H new ATOM 0 HD2 LYS A 88 5.970 0.891 -9.987 1.00 0.00 H new ATOM 0 HD3 LYS A 88 4.982 2.007 -10.909 1.00 0.00 H new ATOM 0 HE2 LYS A 88 6.833 2.643 -12.339 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.024 1.983 -11.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.742 -0.046 -12.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 6.069 -0.002 -11.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 6.701 0.626 -13.288 1.00 0.00 H new ATOM 1448 N ILE A 89 6.208 4.005 -5.721 1.00 0.00 N ATOM 1449 CA ILE A 89 5.634 5.256 -5.148 1.00 0.00 C ATOM 1450 C ILE A 89 6.717 6.337 -5.099 1.00 0.00 C ATOM 1451 O ILE A 89 7.891 6.053 -5.227 1.00 0.00 O ATOM 1452 CB ILE A 89 5.184 4.878 -3.737 1.00 0.00 C ATOM 1453 CG1 ILE A 89 6.325 4.153 -3.018 1.00 0.00 C ATOM 1454 CG2 ILE A 89 3.968 3.954 -3.819 1.00 0.00 C ATOM 1455 CD1 ILE A 89 5.845 3.683 -1.643 1.00 0.00 C ATOM 0 H ILE A 89 7.121 3.739 -5.351 1.00 0.00 H new ATOM 0 HA ILE A 89 4.807 5.650 -5.739 1.00 0.00 H new ATOM 0 HB ILE A 89 4.918 5.780 -3.186 1.00 0.00 H new ATOM 0 HG12 ILE A 89 6.658 3.300 -3.610 1.00 0.00 H new ATOM 0 HG13 ILE A 89 7.181 4.819 -2.908 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.647 3.685 -2.813 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.155 4.467 -4.334 1.00 0.00 H new ATOM 0 HG23 ILE A 89 4.233 3.051 -4.369 1.00 0.00 H new ATOM 0 HD11 ILE A 89 6.657 3.167 -1.131 1.00 0.00 H new ATOM 0 HD12 ILE A 89 5.533 4.544 -1.052 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.002 3.002 -1.765 1.00 0.00 H new ATOM 1467 N ARG A 90 6.342 7.575 -4.923 1.00 0.00 N ATOM 1468 CA ARG A 90 7.372 8.653 -4.878 1.00 0.00 C ATOM 1469 C ARG A 90 6.916 9.810 -3.986 1.00 0.00 C ATOM 1470 O ARG A 90 5.738 10.029 -3.785 1.00 0.00 O ATOM 1471 CB ARG A 90 7.514 9.124 -6.325 1.00 0.00 C ATOM 1472 CG ARG A 90 6.218 9.805 -6.770 1.00 0.00 C ATOM 1473 CD ARG A 90 6.489 10.660 -8.011 1.00 0.00 C ATOM 1474 NE ARG A 90 6.467 12.066 -7.521 1.00 0.00 N ATOM 1475 CZ ARG A 90 6.897 13.032 -8.287 1.00 0.00 C ATOM 1476 NH1 ARG A 90 7.348 12.766 -9.483 1.00 0.00 N ATOM 1477 NH2 ARG A 90 6.877 14.263 -7.857 1.00 0.00 N ATOM 0 H ARG A 90 5.377 7.885 -4.809 1.00 0.00 H new ATOM 0 HA ARG A 90 8.314 8.294 -4.463 1.00 0.00 H new ATOM 0 HB2 ARG A 90 8.350 9.818 -6.412 1.00 0.00 H new ATOM 0 HB3 ARG A 90 7.734 8.277 -6.975 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.458 9.055 -6.991 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.827 10.427 -5.965 1.00 0.00 H new ATOM 0 HD2 ARG A 90 7.452 10.413 -8.458 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.730 10.497 -8.776 1.00 0.00 H new ATOM 0 HE ARG A 90 6.116 12.275 -6.586 1.00 0.00 H new ATOM 0 HH11 ARG A 90 7.365 11.803 -9.819 1.00 0.00 H new ATOM 0 HH12 ARG A 90 7.684 13.521 -10.081 1.00 0.00 H new ATOM 0 HH21 ARG A 90 6.525 14.471 -6.922 1.00 0.00 H new ATOM 0 HH22 ARG A 90 7.213 15.018 -8.455 1.00 0.00 H new ATOM 1491 N ARG A 91 7.848 10.560 -3.466 1.00 0.00 N ATOM 1492 CA ARG A 91 7.489 11.719 -2.600 1.00 0.00 C ATOM 1493 C ARG A 91 7.509 13.000 -3.434 1.00 0.00 C ATOM 1494 O ARG A 91 8.403 13.218 -4.226 1.00 0.00 O ATOM 1495 CB ARG A 91 8.572 11.760 -1.521 1.00 0.00 C ATOM 1496 CG ARG A 91 8.553 13.125 -0.829 1.00 0.00 C ATOM 1497 CD ARG A 91 7.212 13.320 -0.119 1.00 0.00 C ATOM 1498 NE ARG A 91 7.312 14.657 0.530 1.00 0.00 N ATOM 1499 CZ ARG A 91 6.268 15.179 1.115 1.00 0.00 C ATOM 1500 NH1 ARG A 91 5.134 14.532 1.129 1.00 0.00 N ATOM 1501 NH2 ARG A 91 6.358 16.350 1.684 1.00 0.00 N ATOM 0 H ARG A 91 8.849 10.419 -3.604 1.00 0.00 H new ATOM 0 HA ARG A 91 6.494 11.629 -2.165 1.00 0.00 H new ATOM 0 HB2 ARG A 91 8.403 10.968 -0.791 1.00 0.00 H new ATOM 0 HB3 ARG A 91 9.551 11.580 -1.966 1.00 0.00 H new ATOM 0 HG2 ARG A 91 9.370 13.191 -0.110 1.00 0.00 H new ATOM 0 HG3 ARG A 91 8.707 13.918 -1.561 1.00 0.00 H new ATOM 0 HD2 ARG A 91 6.382 13.285 -0.825 1.00 0.00 H new ATOM 0 HD3 ARG A 91 7.037 12.536 0.617 1.00 0.00 H new ATOM 0 HE ARG A 91 8.196 15.165 0.517 1.00 0.00 H new ATOM 0 HH11 ARG A 91 5.063 13.618 0.683 1.00 0.00 H new ATOM 0 HH12 ARG A 91 4.319 14.941 1.586 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.243 16.856 1.671 1.00 0.00 H new ATOM 0 HH22 ARG A 91 5.543 16.759 2.141 1.00 0.00 H new ATOM 1515 N SER A 92 6.530 13.848 -3.275 1.00 0.00 N ATOM 1516 CA SER A 92 6.503 15.105 -4.072 1.00 0.00 C ATOM 1517 C SER A 92 7.579 16.072 -3.578 1.00 0.00 C ATOM 1518 O SER A 92 7.460 16.641 -2.512 1.00 0.00 O ATOM 1519 CB SER A 92 5.110 15.688 -3.841 1.00 0.00 C ATOM 1520 OG SER A 92 4.673 15.354 -2.530 1.00 0.00 O ATOM 0 H SER A 92 5.750 13.725 -2.629 1.00 0.00 H new ATOM 0 HA SER A 92 6.702 14.927 -5.129 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.131 16.771 -3.965 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.412 15.296 -4.581 1.00 0.00 H new ATOM 0 HG SER A 92 4.035 14.611 -2.577 1.00 0.00 H new ATOM 1526 N PRO A 93 8.595 16.236 -4.382 1.00 0.00 N ATOM 1527 CA PRO A 93 9.700 17.156 -4.027 1.00 0.00 C ATOM 1528 C PRO A 93 9.170 18.588 -4.011 1.00 0.00 C ATOM 1529 O PRO A 93 9.725 19.467 -3.383 1.00 0.00 O ATOM 1530 CB PRO A 93 10.714 16.965 -5.152 1.00 0.00 C ATOM 1531 CG PRO A 93 9.931 16.386 -6.287 1.00 0.00 C ATOM 1532 CD PRO A 93 8.807 15.593 -5.681 1.00 0.00 C ATOM 0 HA PRO A 93 10.135 16.962 -3.047 1.00 0.00 H new ATOM 0 HB2 PRO A 93 11.174 17.912 -5.433 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.520 16.297 -4.847 1.00 0.00 H new ATOM 0 HG2 PRO A 93 9.543 17.175 -6.931 1.00 0.00 H new ATOM 0 HG3 PRO A 93 10.562 15.750 -6.907 1.00 0.00 H new ATOM 0 HD2 PRO A 93 7.910 15.632 -6.299 1.00 0.00 H new ATOM 0 HD3 PRO A 93 9.072 14.542 -5.570 1.00 0.00 H new ATOM 1540 N SER A 94 8.088 18.817 -4.701 1.00 0.00 N ATOM 1541 CA SER A 94 7.496 20.180 -4.740 1.00 0.00 C ATOM 1542 C SER A 94 6.538 20.365 -3.563 1.00 0.00 C ATOM 1543 O SER A 94 5.893 21.386 -3.430 1.00 0.00 O ATOM 1544 CB SER A 94 6.731 20.236 -6.059 1.00 0.00 C ATOM 1545 OG SER A 94 7.624 19.968 -7.132 1.00 0.00 O ATOM 0 H SER A 94 7.586 18.113 -5.242 1.00 0.00 H new ATOM 0 HA SER A 94 8.250 20.964 -4.669 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.921 19.507 -6.054 1.00 0.00 H new ATOM 0 HB3 SER A 94 6.275 21.218 -6.187 1.00 0.00 H new ATOM 0 HG SER A 94 7.135 20.002 -7.981 1.00 0.00 H new ATOM 1551 N LYS A 95 6.448 19.391 -2.698 1.00 0.00 N ATOM 1552 CA LYS A 95 5.539 19.523 -1.524 1.00 0.00 C ATOM 1553 C LYS A 95 6.368 19.615 -0.238 1.00 0.00 C ATOM 1554 O LYS A 95 7.288 18.847 -0.039 1.00 0.00 O ATOM 1555 CB LYS A 95 4.694 18.248 -1.530 1.00 0.00 C ATOM 1556 CG LYS A 95 3.393 18.492 -0.761 1.00 0.00 C ATOM 1557 CD LYS A 95 2.897 17.173 -0.166 1.00 0.00 C ATOM 1558 CE LYS A 95 1.413 17.297 0.183 1.00 0.00 C ATOM 1559 NZ LYS A 95 0.913 15.895 0.241 1.00 0.00 N ATOM 0 H LYS A 95 6.963 18.512 -2.753 1.00 0.00 H new ATOM 0 HA LYS A 95 4.918 20.418 -1.573 1.00 0.00 H new ATOM 0 HB2 LYS A 95 4.472 17.951 -2.555 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.250 17.429 -1.074 1.00 0.00 H new ATOM 0 HG2 LYS A 95 3.558 19.222 0.032 1.00 0.00 H new ATOM 0 HG3 LYS A 95 2.638 18.910 -1.426 1.00 0.00 H new ATOM 0 HD2 LYS A 95 3.048 16.361 -0.878 1.00 0.00 H new ATOM 0 HD3 LYS A 95 3.472 16.925 0.726 1.00 0.00 H new ATOM 0 HE2 LYS A 95 1.273 17.806 1.137 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.878 17.876 -0.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -0.126 15.899 0.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.218 15.382 -0.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 1.297 15.424 1.085 1.00 0.00 H new ATOM 1573 N PRO A 96 6.016 20.559 0.590 1.00 0.00 N ATOM 1574 CA PRO A 96 6.741 20.762 1.867 1.00 0.00 C ATOM 1575 C PRO A 96 6.586 19.550 2.784 1.00 0.00 C ATOM 1576 O PRO A 96 5.582 18.865 2.773 1.00 0.00 O ATOM 1577 CB PRO A 96 6.087 21.984 2.492 1.00 0.00 C ATOM 1578 CG PRO A 96 4.778 22.147 1.783 1.00 0.00 C ATOM 1579 CD PRO A 96 4.921 21.518 0.421 1.00 0.00 C ATOM 0 HA PRO A 96 7.811 20.895 1.710 1.00 0.00 H new ATOM 0 HB2 PRO A 96 5.938 21.844 3.563 1.00 0.00 H new ATOM 0 HB3 PRO A 96 6.712 22.869 2.370 1.00 0.00 H new ATOM 0 HG2 PRO A 96 3.975 21.668 2.344 1.00 0.00 H new ATOM 0 HG3 PRO A 96 4.519 23.202 1.693 1.00 0.00 H new ATOM 0 HD2 PRO A 96 4.001 21.023 0.111 1.00 0.00 H new ATOM 0 HD3 PRO A 96 5.155 22.262 -0.340 1.00 0.00 H new ATOM 1587 N LEU A 97 7.578 19.295 3.583 1.00 0.00 N ATOM 1588 CA LEU A 97 7.513 18.140 4.522 1.00 0.00 C ATOM 1589 C LEU A 97 7.661 18.644 5.944 1.00 0.00 C ATOM 1590 O LEU A 97 8.737 18.975 6.402 1.00 0.00 O ATOM 1591 CB LEU A 97 8.656 17.252 4.114 1.00 0.00 C ATOM 1592 CG LEU A 97 8.581 15.916 4.858 1.00 0.00 C ATOM 1593 CD1 LEU A 97 9.709 14.999 4.377 1.00 0.00 C ATOM 1594 CD2 LEU A 97 8.732 16.156 6.362 1.00 0.00 C ATOM 0 H LEU A 97 8.439 19.840 3.629 1.00 0.00 H new ATOM 0 HA LEU A 97 6.568 17.598 4.484 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.626 17.079 3.038 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.604 17.745 4.331 1.00 0.00 H new ATOM 0 HG LEU A 97 7.617 15.447 4.659 1.00 0.00 H new ATOM 0 HD11 LEU A 97 9.656 14.048 4.907 1.00 0.00 H new ATOM 0 HD12 LEU A 97 9.604 14.824 3.306 1.00 0.00 H new ATOM 0 HD13 LEU A 97 10.671 15.471 4.575 1.00 0.00 H new ATOM 0 HD21 LEU A 97 8.678 15.204 6.890 1.00 0.00 H new ATOM 0 HD22 LEU A 97 9.695 16.627 6.560 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.931 16.808 6.709 1.00 0.00 H new ATOM 1606 N PRO A 98 6.538 18.731 6.556 1.00 0.00 N ATOM 1607 CA PRO A 98 6.386 19.245 7.914 1.00 0.00 C ATOM 1608 C PRO A 98 6.231 18.108 8.920 1.00 0.00 C ATOM 1609 O PRO A 98 5.856 17.004 8.584 1.00 0.00 O ATOM 1610 CB PRO A 98 5.090 20.033 7.786 1.00 0.00 C ATOM 1611 CG PRO A 98 4.477 19.575 6.469 1.00 0.00 C ATOM 1612 CD PRO A 98 5.241 18.374 6.045 1.00 0.00 C ATOM 0 HA PRO A 98 7.237 19.826 8.270 1.00 0.00 H new ATOM 0 HB2 PRO A 98 4.422 19.832 8.623 1.00 0.00 H new ATOM 0 HB3 PRO A 98 5.280 21.106 7.781 1.00 0.00 H new ATOM 0 HG2 PRO A 98 3.420 19.339 6.594 1.00 0.00 H new ATOM 0 HG3 PRO A 98 4.541 20.361 5.717 1.00 0.00 H new ATOM 0 HD2 PRO A 98 4.855 17.454 6.485 1.00 0.00 H new ATOM 0 HD3 PRO A 98 5.239 18.236 4.964 1.00 0.00 H new ATOM 1620 N GLU A 99 6.521 18.382 10.153 1.00 0.00 N ATOM 1621 CA GLU A 99 6.400 17.334 11.207 1.00 0.00 C ATOM 1622 C GLU A 99 5.213 17.642 12.124 1.00 0.00 C ATOM 1623 O GLU A 99 5.111 18.715 12.684 1.00 0.00 O ATOM 1624 CB GLU A 99 7.713 17.403 11.987 1.00 0.00 C ATOM 1625 CG GLU A 99 7.830 16.181 12.899 1.00 0.00 C ATOM 1626 CD GLU A 99 8.858 16.459 13.997 1.00 0.00 C ATOM 1627 OE1 GLU A 99 9.770 17.231 13.744 1.00 0.00 O ATOM 1628 OE2 GLU A 99 8.717 15.898 15.070 1.00 0.00 O ATOM 0 H GLU A 99 6.840 19.292 10.485 1.00 0.00 H new ATOM 0 HA GLU A 99 6.228 16.343 10.787 1.00 0.00 H new ATOM 0 HB2 GLU A 99 8.556 17.437 11.297 1.00 0.00 H new ATOM 0 HB3 GLU A 99 7.748 18.317 12.580 1.00 0.00 H new ATOM 0 HG2 GLU A 99 6.861 15.952 13.343 1.00 0.00 H new ATOM 0 HG3 GLU A 99 8.129 15.308 12.319 1.00 0.00 H new ATOM 1635 N VAL A 100 4.317 16.707 12.282 1.00 0.00 N ATOM 1636 CA VAL A 100 3.137 16.946 13.163 1.00 0.00 C ATOM 1637 C VAL A 100 3.424 16.439 14.578 1.00 0.00 C ATOM 1638 O VAL A 100 4.278 15.601 14.787 1.00 0.00 O ATOM 1639 CB VAL A 100 1.992 16.152 12.536 1.00 0.00 C ATOM 1640 CG1 VAL A 100 0.655 16.744 12.986 1.00 0.00 C ATOM 1641 CG2 VAL A 100 2.089 16.222 11.009 1.00 0.00 C ATOM 0 H VAL A 100 4.350 15.788 11.840 1.00 0.00 H new ATOM 0 HA VAL A 100 2.897 18.006 13.243 1.00 0.00 H new ATOM 0 HB VAL A 100 2.059 15.112 12.855 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -0.162 16.178 12.539 1.00 0.00 H new ATOM 0 HG12 VAL A 100 0.581 16.692 14.072 1.00 0.00 H new ATOM 0 HG13 VAL A 100 0.592 17.785 12.668 1.00 0.00 H new ATOM 0 HG21 VAL A 100 1.271 15.654 10.566 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.025 17.262 10.688 1.00 0.00 H new ATOM 0 HG23 VAL A 100 3.040 15.800 10.685 1.00 0.00 H new ATOM 1651 N THR A 101 2.714 16.941 15.549 1.00 0.00 N ATOM 1652 CA THR A 101 2.943 16.491 16.952 1.00 0.00 C ATOM 1653 C THR A 101 1.675 15.841 17.512 1.00 0.00 C ATOM 1654 O THR A 101 0.572 16.175 17.125 1.00 0.00 O ATOM 1655 CB THR A 101 3.281 17.766 17.726 1.00 0.00 C ATOM 1656 OG1 THR A 101 2.558 18.857 17.176 1.00 0.00 O ATOM 1657 CG2 THR A 101 4.782 18.043 17.627 1.00 0.00 C ATOM 0 H THR A 101 1.984 17.644 15.433 1.00 0.00 H new ATOM 0 HA THR A 101 3.738 15.748 17.024 1.00 0.00 H new ATOM 0 HB THR A 101 3.007 17.639 18.773 1.00 0.00 H new ATOM 0 HG1 THR A 101 1.607 18.626 17.124 1.00 0.00 H new ATOM 0 HG21 THR A 101 5.021 18.952 18.179 1.00 0.00 H new ATOM 0 HG22 THR A 101 5.335 17.205 18.050 1.00 0.00 H new ATOM 0 HG23 THR A 101 5.060 18.170 16.581 1.00 0.00 H new ATOM 1665 N ASP A 102 1.822 14.916 18.420 1.00 0.00 N ATOM 1666 CA ASP A 102 0.624 14.246 19.005 1.00 0.00 C ATOM 1667 C ASP A 102 0.235 14.915 20.326 1.00 0.00 C ATOM 1668 O ASP A 102 1.076 15.221 21.148 1.00 0.00 O ATOM 1669 CB ASP A 102 1.056 12.800 19.242 1.00 0.00 C ATOM 1670 CG ASP A 102 1.150 12.068 17.903 1.00 0.00 C ATOM 1671 OD1 ASP A 102 0.902 12.697 16.888 1.00 0.00 O ATOM 1672 OD2 ASP A 102 1.469 10.890 17.914 1.00 0.00 O ATOM 0 H ASP A 102 2.719 14.594 18.783 1.00 0.00 H new ATOM 0 HA ASP A 102 -0.245 14.309 18.351 1.00 0.00 H new ATOM 0 HB2 ASP A 102 2.020 12.776 19.750 1.00 0.00 H new ATOM 0 HB3 ASP A 102 0.341 12.298 19.893 1.00 0.00 H new ATOM 1677 N GLU A 103 -1.032 15.145 20.536 1.00 0.00 N ATOM 1678 CA GLU A 103 -1.471 15.793 21.804 1.00 0.00 C ATOM 1679 C GLU A 103 -2.449 14.882 22.552 1.00 0.00 C ATOM 1680 O GLU A 103 -2.153 14.530 23.683 1.00 0.00 O ATOM 1681 CB GLU A 103 -2.167 17.084 21.369 1.00 0.00 C ATOM 1682 CG GLU A 103 -2.448 17.952 22.598 1.00 0.00 C ATOM 1683 CD GLU A 103 -2.078 19.404 22.291 1.00 0.00 C ATOM 1684 OE1 GLU A 103 -1.038 19.615 21.690 1.00 0.00 O ATOM 1685 OE2 GLU A 103 -2.841 20.280 22.663 1.00 0.00 O ATOM 1686 OXT GLU A 103 -3.476 14.553 21.983 1.00 0.00 O ATOM 0 H GLU A 103 -1.782 14.912 19.885 1.00 0.00 H new ATOM 0 HA GLU A 103 -0.637 15.987 22.479 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -1.540 17.628 20.663 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -3.099 16.851 20.854 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -3.501 17.884 22.872 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -1.873 17.591 23.451 1.00 0.00 H new TER 1693 GLU A 103