USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 969 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 53 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 58 ASN : amide:sc= -0.0644 K(o=-0.064,f=-1.8) USER MOD Set 2.1: A 1 MET N :NH3+ 157:sc= 1.68 (180deg=1.09) USER MOD Set 2.2: A 16 CYS SG : rot -165:sc= -0.868 USER MOD Set 3.1: A 15 CYS SG : rot 45:sc= 0.221 USER MOD Set 3.2: A 30 GLN : amide:sc= -0.0361 X(o=0.18,f=0.18) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 GLN :FLIP amide:sc= -0.106 F(o=-1,f=-0.11) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.482 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.15 X(o=-0.15,f=-0.0061) USER MOD Single : A 29 CYS SG : rot 46:sc= -0.509 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.0223 X(o=-0.022,f=0) USER MOD Single : A 40 THR OG1 : rot -84:sc= -0.0031 USER MOD Single : A 42 CYS SG : rot 99:sc= 0.4 USER MOD Single : A 45 MET CE :methyl -156:sc= -0.57 (180deg=-1.36) USER MOD Single : A 46 THR OG1 : rot -60:sc= -0.662 USER MOD Single : A 61 MET CE :methyl -163:sc= -0.165 (180deg=-0.781) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.316 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 171:sc= 0.488 (180deg=0.328) USER MOD Single : A 79 CYS SG : rot -11:sc= 0.62 USER MOD Single : A 81 CYS SG : rot 180:sc= -0.108 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.312 K(o=-0.31,f=-6!) USER MOD Single : A 93 MET CE :methyl 161:sc= -1.04 (180deg=-2.43!) USER MOD Single : A 100 GLN : amide:sc= -1.69 K(o=-1.7,f=-3.1!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 130:sc= 0.599 USER MOD Single : A 104 LYS NZ :NH3+ 139:sc= 1.21 (180deg=-0.0405) USER MOD Single : A 105 SER OG : rot 40:sc= 0.0297 USER MOD Single : A 109 TYR OH : rot -138:sc= 0.514 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= -1.35 K(o=-1.4,f=-4.4!) USER MOD Single : A 118 HIS : no HD1:sc= -1.14 K(o=-1.1,f=-3.1) USER MOD Single : A 125 HIS : no HD1:sc= -0.545 X(o=-0.55,f=-0.14) USER MOD Single : A 126 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=-0.0045) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 129 HIS : no HD1:sc= -0.28 X(o=-0.28,f=-0.28) USER MOD Single : A 130 HIS : no HE2:sc= -0.0164 K(o=-0.016,f=-0.54) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.096 6.984 -25.824 1.00 0.00 N ATOM 2 CA MET A 1 -4.525 7.099 -25.411 1.00 0.00 C ATOM 3 C MET A 1 -5.404 6.080 -26.177 1.00 0.00 C ATOM 4 O MET A 1 -5.874 5.097 -25.588 1.00 0.00 O ATOM 5 CB MET A 1 -5.029 8.564 -25.587 1.00 0.00 C ATOM 6 CG MET A 1 -4.519 9.528 -24.503 1.00 0.00 C ATOM 7 SD MET A 1 -2.721 9.475 -24.313 1.00 0.00 S ATOM 8 CE MET A 1 -2.483 10.424 -22.806 1.00 0.00 C ATOM 0 H1 MET A 1 -2.604 7.878 -25.624 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.642 6.213 -25.294 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.044 6.781 -26.843 1.00 0.00 H new ATOM 0 HA MET A 1 -4.605 6.854 -24.352 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.716 8.932 -26.564 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.119 8.567 -25.580 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.824 10.544 -24.753 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.988 9.279 -23.551 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.420 10.472 -22.570 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.870 11.433 -22.947 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.015 9.943 -21.985 1.00 0.00 H new ATOM 20 N GLY A 2 -5.614 6.318 -27.487 1.00 0.00 N ATOM 21 CA GLY A 2 -6.331 5.371 -28.353 1.00 0.00 C ATOM 22 C GLY A 2 -5.511 4.104 -28.628 1.00 0.00 C ATOM 23 O GLY A 2 -4.415 4.184 -29.195 1.00 0.00 O ATOM 0 H GLY A 2 -5.295 7.160 -27.966 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -7.276 5.096 -27.884 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -6.574 5.857 -29.298 1.00 0.00 H new ATOM 27 N GLN A 3 -6.038 2.943 -28.206 1.00 0.00 N ATOM 28 CA GLN A 3 -5.334 1.641 -28.299 1.00 0.00 C ATOM 29 C GLN A 3 -5.748 0.849 -29.569 1.00 0.00 C ATOM 30 O GLN A 3 -6.939 0.712 -29.880 1.00 0.00 O ATOM 31 CB GLN A 3 -5.596 0.808 -27.005 1.00 0.00 C ATOM 32 CG GLN A 3 -7.090 0.608 -26.655 1.00 0.00 C ATOM 33 CD GLN A 3 -7.332 -0.161 -25.352 1.00 0.00 C ATOM 34 OE1 GLN A 3 -6.528 -0.124 -24.424 1.00 0.00 O ATOM 35 NE2 GLN A 3 -8.451 -0.851 -25.268 1.00 0.00 N ATOM 0 H GLN A 3 -6.966 2.874 -27.789 1.00 0.00 H new ATOM 0 HA GLN A 3 -4.265 1.836 -28.386 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -5.130 -0.171 -27.119 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -5.103 1.300 -26.167 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -7.568 1.585 -26.582 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -7.575 0.076 -27.473 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -9.102 -0.865 -26.053 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -8.667 -1.371 -24.418 1.00 0.00 H new ATOM 44 N GLY A 4 -4.738 0.362 -30.311 1.00 0.00 N ATOM 45 CA GLY A 4 -4.938 -0.526 -31.474 1.00 0.00 C ATOM 46 C GLY A 4 -4.274 -1.890 -31.283 1.00 0.00 C ATOM 47 O GLY A 4 -3.911 -2.254 -30.156 1.00 0.00 O ATOM 0 H GLY A 4 -3.758 0.572 -30.122 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.006 -0.665 -31.643 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.533 -0.049 -32.367 1.00 0.00 H new ATOM 51 N GLN A 5 -4.130 -2.655 -32.383 1.00 0.00 N ATOM 52 CA GLN A 5 -3.488 -3.994 -32.355 1.00 0.00 C ATOM 53 C GLN A 5 -3.011 -4.433 -33.764 1.00 0.00 C ATOM 54 O GLN A 5 -3.704 -4.220 -34.762 1.00 0.00 O ATOM 55 CB GLN A 5 -4.461 -5.054 -31.747 1.00 0.00 C ATOM 56 CG GLN A 5 -5.827 -5.168 -32.461 1.00 0.00 C ATOM 57 CD GLN A 5 -6.792 -6.137 -31.773 1.00 0.00 C ATOM 58 OE1 GLN A 5 -7.573 -5.747 -30.912 1.00 0.00 O ATOM 59 NE2 GLN A 5 -6.732 -7.405 -32.133 1.00 0.00 N ATOM 0 H GLN A 5 -4.450 -2.371 -33.309 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.605 -3.923 -31.720 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.973 -6.029 -31.769 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.634 -4.808 -30.699 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -6.287 -4.181 -32.509 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -5.666 -5.495 -33.488 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -6.072 -7.700 -32.852 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -7.346 -8.090 -31.692 1.00 0.00 H new ATOM 68 N ASN A 6 -1.811 -5.037 -33.835 1.00 0.00 N ATOM 69 CA ASN A 6 -1.268 -5.606 -35.090 1.00 0.00 C ATOM 70 C ASN A 6 -1.864 -7.009 -35.356 1.00 0.00 C ATOM 71 O ASN A 6 -2.129 -7.761 -34.417 1.00 0.00 O ATOM 72 CB ASN A 6 0.281 -5.682 -35.027 1.00 0.00 C ATOM 73 CG ASN A 6 0.939 -4.299 -35.040 1.00 0.00 C ATOM 74 OD1 ASN A 6 1.242 -3.763 -36.098 1.00 0.00 O ATOM 75 ND2 ASN A 6 1.153 -3.701 -33.883 1.00 0.00 N ATOM 0 H ASN A 6 -1.191 -5.146 -33.032 1.00 0.00 H new ATOM 0 HA ASN A 6 -1.551 -4.949 -35.913 1.00 0.00 H new ATOM 0 HB2 ASN A 6 0.579 -6.214 -34.123 1.00 0.00 H new ATOM 0 HB3 ASN A 6 0.647 -6.263 -35.874 1.00 0.00 H new ATOM 0 HD21 ASN A 6 1.578 -2.774 -33.859 1.00 0.00 H new ATOM 0 HD22 ASN A 6 0.893 -4.166 -33.013 1.00 0.00 H new ATOM 82 N VAL A 7 -2.006 -7.364 -36.652 1.00 0.00 N ATOM 83 CA VAL A 7 -2.613 -8.659 -37.098 1.00 0.00 C ATOM 84 C VAL A 7 -1.750 -9.882 -36.687 1.00 0.00 C ATOM 85 O VAL A 7 -2.225 -11.021 -36.652 1.00 0.00 O ATOM 86 CB VAL A 7 -2.822 -8.685 -38.672 1.00 0.00 C ATOM 87 CG1 VAL A 7 -3.381 -7.341 -39.178 1.00 0.00 C ATOM 88 CG2 VAL A 7 -1.525 -9.057 -39.456 1.00 0.00 C ATOM 0 H VAL A 7 -1.707 -6.769 -37.425 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.579 -8.729 -36.599 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.549 -9.473 -38.866 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.515 -7.386 -40.259 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.341 -7.144 -38.702 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.683 -6.541 -38.932 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.734 -9.058 -40.526 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.746 -8.326 -39.239 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.188 -10.048 -39.152 1.00 0.00 H new ATOM 98 N LEU A 8 -0.483 -9.591 -36.385 1.00 0.00 N ATOM 99 CA LEU A 8 0.585 -10.576 -36.237 1.00 0.00 C ATOM 100 C LEU A 8 0.456 -11.396 -34.928 1.00 0.00 C ATOM 101 O LEU A 8 0.517 -12.630 -34.958 1.00 0.00 O ATOM 102 CB LEU A 8 1.929 -9.831 -36.309 1.00 0.00 C ATOM 103 CG LEU A 8 2.169 -8.982 -37.600 1.00 0.00 C ATOM 104 CD1 LEU A 8 3.504 -8.227 -37.517 1.00 0.00 C ATOM 105 CD2 LEU A 8 2.098 -9.860 -38.876 1.00 0.00 C ATOM 0 H LEU A 8 -0.165 -8.634 -36.233 1.00 0.00 H new ATOM 0 HA LEU A 8 0.516 -11.306 -37.044 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.004 -9.172 -35.444 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.733 -10.562 -36.223 1.00 0.00 H new ATOM 0 HG LEU A 8 1.369 -8.245 -37.668 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.649 -7.643 -38.426 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.491 -7.559 -36.655 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.320 -8.942 -37.410 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.269 -9.239 -39.755 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.861 -10.637 -38.826 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.114 -10.323 -38.945 1.00 0.00 H new ATOM 117 N GLY A 9 0.270 -10.699 -33.789 1.00 0.00 N ATOM 118 CA GLY A 9 0.157 -11.363 -32.477 1.00 0.00 C ATOM 119 C GLY A 9 0.062 -10.376 -31.313 1.00 0.00 C ATOM 120 O GLY A 9 -1.019 -9.848 -31.029 1.00 0.00 O ATOM 0 H GLY A 9 0.195 -9.682 -33.752 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.725 -12.004 -32.475 1.00 0.00 H new ATOM 0 HA3 GLY A 9 1.022 -12.010 -32.328 1.00 0.00 H new ATOM 124 N GLN A 10 1.212 -10.103 -30.659 1.00 0.00 N ATOM 125 CA GLN A 10 1.286 -9.240 -29.451 1.00 0.00 C ATOM 126 C GLN A 10 2.397 -8.168 -29.579 1.00 0.00 C ATOM 127 O GLN A 10 3.467 -8.424 -30.152 1.00 0.00 O ATOM 128 CB GLN A 10 1.498 -10.100 -28.160 1.00 0.00 C ATOM 129 CG GLN A 10 2.890 -10.770 -27.983 1.00 0.00 C ATOM 130 CD GLN A 10 3.231 -11.832 -29.040 1.00 0.00 C ATOM 131 OE1 GLN A 10 3.887 -11.434 -30.119 1.00 0.00 O flip ATOM 132 NE2 GLN A 10 2.912 -13.003 -28.884 1.00 0.00 N flip ATOM 0 H GLN A 10 2.117 -10.473 -30.950 1.00 0.00 H new ATOM 0 HA GLN A 10 0.332 -8.720 -29.367 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.315 -9.463 -27.294 1.00 0.00 H new ATOM 0 HB3 GLN A 10 0.740 -10.883 -28.146 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.656 -9.995 -28.006 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.933 -11.232 -26.997 1.00 0.00 H new ATOM 0 HE21 GLN A 10 2.407 -13.286 -28.044 1.00 0.00 H new ATOM 0 HE22 GLN A 10 3.151 -13.696 -29.594 1.00 0.00 H new ATOM 141 N ASP A 11 2.111 -6.971 -29.032 1.00 0.00 N ATOM 142 CA ASP A 11 3.047 -5.826 -28.996 1.00 0.00 C ATOM 143 C ASP A 11 2.509 -4.779 -27.975 1.00 0.00 C ATOM 144 O ASP A 11 2.422 -3.578 -28.244 1.00 0.00 O ATOM 145 CB ASP A 11 3.214 -5.229 -30.431 1.00 0.00 C ATOM 146 CG ASP A 11 4.359 -4.202 -30.531 1.00 0.00 C ATOM 147 OD1 ASP A 11 5.537 -4.618 -30.492 1.00 0.00 O ATOM 148 OD2 ASP A 11 4.090 -2.982 -30.630 1.00 0.00 O ATOM 0 H ASP A 11 1.212 -6.767 -28.596 1.00 0.00 H new ATOM 0 HA ASP A 11 4.037 -6.144 -28.670 1.00 0.00 H new ATOM 0 HB2 ASP A 11 3.399 -6.040 -31.136 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.280 -4.753 -30.731 1.00 0.00 H new ATOM 153 N LEU A 12 2.166 -5.265 -26.766 1.00 0.00 N ATOM 154 CA LEU A 12 1.458 -4.453 -25.731 1.00 0.00 C ATOM 155 C LEU A 12 2.441 -3.707 -24.780 1.00 0.00 C ATOM 156 O LEU A 12 2.120 -3.456 -23.608 1.00 0.00 O ATOM 157 CB LEU A 12 0.443 -5.335 -24.917 1.00 0.00 C ATOM 158 CG LEU A 12 1.028 -6.479 -24.003 1.00 0.00 C ATOM 159 CD1 LEU A 12 0.010 -6.911 -22.925 1.00 0.00 C ATOM 160 CD2 LEU A 12 1.496 -7.709 -24.823 1.00 0.00 C ATOM 0 H LEU A 12 2.365 -6.221 -26.472 1.00 0.00 H new ATOM 0 HA LEU A 12 0.896 -3.687 -26.264 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.146 -4.670 -24.285 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.246 -5.793 -25.627 1.00 0.00 H new ATOM 0 HG LEU A 12 1.905 -6.061 -23.509 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.443 -7.701 -22.311 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.238 -6.057 -22.295 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.895 -7.281 -23.407 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.890 -8.468 -24.147 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.652 -8.120 -25.377 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.275 -7.405 -25.522 1.00 0.00 H new ATOM 172 N GLU A 13 3.622 -3.304 -25.305 1.00 0.00 N ATOM 173 CA GLU A 13 4.605 -2.487 -24.548 1.00 0.00 C ATOM 174 C GLU A 13 4.181 -0.990 -24.549 1.00 0.00 C ATOM 175 O GLU A 13 4.801 -0.137 -25.203 1.00 0.00 O ATOM 176 CB GLU A 13 6.038 -2.669 -25.129 1.00 0.00 C ATOM 177 CG GLU A 13 6.542 -4.128 -25.152 1.00 0.00 C ATOM 178 CD GLU A 13 7.996 -4.263 -25.647 1.00 0.00 C ATOM 179 OE1 GLU A 13 8.218 -4.300 -26.878 1.00 0.00 O ATOM 180 OE2 GLU A 13 8.921 -4.317 -24.810 1.00 0.00 O ATOM 0 H GLU A 13 3.920 -3.532 -26.254 1.00 0.00 H new ATOM 0 HA GLU A 13 4.621 -2.833 -23.514 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.056 -2.276 -26.146 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.733 -2.068 -24.542 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.467 -4.547 -24.149 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.890 -4.720 -25.794 1.00 0.00 H new ATOM 187 N VAL A 14 3.083 -0.706 -23.827 1.00 0.00 N ATOM 188 CA VAL A 14 2.481 0.633 -23.730 1.00 0.00 C ATOM 189 C VAL A 14 1.613 0.741 -22.444 1.00 0.00 C ATOM 190 O VAL A 14 0.688 -0.057 -22.225 1.00 0.00 O ATOM 191 CB VAL A 14 1.648 0.997 -25.026 1.00 0.00 C ATOM 192 CG1 VAL A 14 0.550 -0.059 -25.342 1.00 0.00 C ATOM 193 CG2 VAL A 14 1.058 2.434 -24.938 1.00 0.00 C ATOM 0 H VAL A 14 2.582 -1.412 -23.287 1.00 0.00 H new ATOM 0 HA VAL A 14 3.288 1.363 -23.661 1.00 0.00 H new ATOM 0 HB VAL A 14 2.345 0.978 -25.864 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.008 0.238 -26.240 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.016 -1.031 -25.504 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.144 -0.124 -24.504 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.492 2.651 -25.844 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.399 2.504 -24.073 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.869 3.155 -24.835 1.00 0.00 H new ATOM 203 N CYS A 15 1.969 1.701 -21.568 1.00 0.00 N ATOM 204 CA CYS A 15 1.201 2.010 -20.343 1.00 0.00 C ATOM 205 C CYS A 15 -0.168 2.625 -20.692 1.00 0.00 C ATOM 206 O CYS A 15 -1.208 2.074 -20.322 1.00 0.00 O ATOM 207 CB CYS A 15 2.006 2.967 -19.430 1.00 0.00 C ATOM 208 SG CYS A 15 3.638 2.337 -18.976 1.00 0.00 S ATOM 0 H CYS A 15 2.797 2.285 -21.689 1.00 0.00 H new ATOM 0 HA CYS A 15 1.027 1.078 -19.806 1.00 0.00 H new ATOM 0 HB2 CYS A 15 2.124 3.925 -19.937 1.00 0.00 H new ATOM 0 HB3 CYS A 15 1.434 3.156 -18.522 1.00 0.00 H new ATOM 0 HG CYS A 15 4.225 1.853 -20.030 1.00 0.00 H new ATOM 214 N CYS A 16 -0.132 3.784 -21.405 1.00 0.00 N ATOM 215 CA CYS A 16 -1.341 4.502 -21.910 1.00 0.00 C ATOM 216 C CYS A 16 -2.284 4.969 -20.750 1.00 0.00 C ATOM 217 O CYS A 16 -1.901 4.901 -19.579 1.00 0.00 O ATOM 218 CB CYS A 16 -2.092 3.613 -22.942 1.00 0.00 C ATOM 219 SG CYS A 16 -3.420 4.434 -23.854 1.00 0.00 S ATOM 0 H CYS A 16 0.741 4.251 -21.648 1.00 0.00 H new ATOM 0 HA CYS A 16 -1.008 5.411 -22.411 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.367 3.227 -23.659 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.511 2.754 -22.419 1.00 0.00 H new ATOM 0 HG CYS A 16 -4.160 3.541 -24.441 1.00 0.00 H new ATOM 225 N CYS A 17 -3.480 5.505 -21.112 1.00 0.00 N ATOM 226 CA CYS A 17 -4.603 5.830 -20.177 1.00 0.00 C ATOM 227 C CYS A 17 -4.330 7.059 -19.265 1.00 0.00 C ATOM 228 O CYS A 17 -4.993 8.099 -19.406 1.00 0.00 O ATOM 229 CB CYS A 17 -5.023 4.599 -19.330 1.00 0.00 C ATOM 230 SG CYS A 17 -6.441 4.881 -18.239 1.00 0.00 S ATOM 0 H CYS A 17 -3.700 5.730 -22.082 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.436 6.109 -20.822 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -5.258 3.775 -20.003 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.173 4.284 -18.725 1.00 0.00 H new ATOM 0 HG CYS A 17 -6.707 3.791 -17.582 1.00 0.00 H new ATOM 236 N ALA A 18 -3.364 6.927 -18.330 1.00 0.00 N ATOM 237 CA ALA A 18 -3.004 7.987 -17.353 1.00 0.00 C ATOM 238 C ALA A 18 -2.602 9.333 -18.041 1.00 0.00 C ATOM 239 O ALA A 18 -1.907 9.315 -19.059 1.00 0.00 O ATOM 240 CB ALA A 18 -1.866 7.485 -16.442 1.00 0.00 C ATOM 0 H ALA A 18 -2.807 6.079 -18.228 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.891 8.197 -16.756 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.603 8.264 -15.726 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.195 6.595 -15.906 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.994 7.241 -17.049 1.00 0.00 H new ATOM 246 N PRO A 19 -3.046 10.521 -17.500 1.00 0.00 N ATOM 247 CA PRO A 19 -2.743 11.859 -18.108 1.00 0.00 C ATOM 248 C PRO A 19 -1.225 12.199 -18.158 1.00 0.00 C ATOM 249 O PRO A 19 -0.751 12.827 -19.114 1.00 0.00 O ATOM 250 CB PRO A 19 -3.516 12.856 -17.194 1.00 0.00 C ATOM 251 CG PRO A 19 -4.557 12.014 -16.508 1.00 0.00 C ATOM 252 CD PRO A 19 -3.902 10.668 -16.291 1.00 0.00 C ATOM 0 HA PRO A 19 -3.045 11.895 -19.155 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.851 13.329 -16.472 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.974 13.655 -17.777 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.862 12.460 -15.561 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.454 11.921 -17.121 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.314 10.647 -15.374 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.638 9.867 -16.216 1.00 0.00 H new ATOM 260 N MET A 20 -0.471 11.760 -17.123 1.00 0.00 N ATOM 261 CA MET A 20 0.992 12.013 -17.022 1.00 0.00 C ATOM 262 C MET A 20 1.805 11.136 -18.028 1.00 0.00 C ATOM 263 O MET A 20 2.999 11.376 -18.253 1.00 0.00 O ATOM 264 CB MET A 20 1.493 11.790 -15.561 1.00 0.00 C ATOM 265 CG MET A 20 2.925 12.292 -15.295 1.00 0.00 C ATOM 266 SD MET A 20 3.517 11.927 -13.630 1.00 0.00 S ATOM 267 CE MET A 20 5.167 12.641 -13.676 1.00 0.00 C ATOM 0 H MET A 20 -0.851 11.226 -16.341 1.00 0.00 H new ATOM 0 HA MET A 20 1.161 13.056 -17.290 1.00 0.00 H new ATOM 0 HB2 MET A 20 0.811 12.294 -14.875 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.446 10.725 -15.332 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.601 11.839 -16.020 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.960 13.369 -15.457 1.00 0.00 H new ATOM 0 HE1 MET A 20 5.655 12.491 -12.713 1.00 0.00 H new ATOM 0 HE2 MET A 20 5.751 12.157 -14.458 1.00 0.00 H new ATOM 0 HE3 MET A 20 5.096 13.708 -13.885 1.00 0.00 H new ATOM 277 N THR A 21 1.143 10.130 -18.641 1.00 0.00 N ATOM 278 CA THR A 21 1.749 9.295 -19.714 1.00 0.00 C ATOM 279 C THR A 21 2.098 10.154 -20.970 1.00 0.00 C ATOM 280 O THR A 21 2.967 9.789 -21.764 1.00 0.00 O ATOM 281 CB THR A 21 0.801 8.107 -20.119 1.00 0.00 C ATOM 282 OG1 THR A 21 0.375 7.400 -18.939 1.00 0.00 O ATOM 283 CG2 THR A 21 1.472 7.100 -21.069 1.00 0.00 C ATOM 0 H THR A 21 0.183 9.872 -18.413 1.00 0.00 H new ATOM 0 HA THR A 21 2.672 8.877 -19.313 1.00 0.00 H new ATOM 0 HB THR A 21 -0.045 8.552 -20.642 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.217 6.662 -19.196 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.768 6.304 -21.312 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.774 7.609 -21.984 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.350 6.672 -20.585 1.00 0.00 H new ATOM 291 N GLY A 22 1.425 11.317 -21.116 1.00 0.00 N ATOM 292 CA GLY A 22 1.710 12.267 -22.204 1.00 0.00 C ATOM 293 C GLY A 22 0.848 12.022 -23.440 1.00 0.00 C ATOM 294 O GLY A 22 -0.203 12.655 -23.596 1.00 0.00 O ATOM 0 H GLY A 22 0.679 11.617 -20.489 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.545 13.283 -21.846 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.762 12.193 -22.479 1.00 0.00 H new ATOM 298 N TRP A 23 1.290 11.083 -24.306 1.00 0.00 N ATOM 299 CA TRP A 23 0.571 10.705 -25.547 1.00 0.00 C ATOM 300 C TRP A 23 1.242 9.473 -26.216 1.00 0.00 C ATOM 301 O TRP A 23 0.692 8.363 -26.190 1.00 0.00 O ATOM 302 CB TRP A 23 0.501 11.913 -26.537 1.00 0.00 C ATOM 303 CG TRP A 23 -0.108 11.588 -27.883 1.00 0.00 C ATOM 304 CD1 TRP A 23 -1.386 11.177 -28.137 1.00 0.00 C ATOM 305 CD2 TRP A 23 0.555 11.645 -29.158 1.00 0.00 C ATOM 306 NE1 TRP A 23 -1.552 10.969 -29.481 1.00 0.00 N ATOM 307 CE2 TRP A 23 -0.378 11.249 -30.129 1.00 0.00 C ATOM 308 CE3 TRP A 23 1.851 11.991 -29.562 1.00 0.00 C ATOM 309 CZ2 TRP A 23 -0.063 11.188 -31.483 1.00 0.00 C ATOM 310 CZ3 TRP A 23 2.166 11.931 -30.907 1.00 0.00 C ATOM 311 CH2 TRP A 23 1.212 11.532 -31.856 1.00 0.00 C ATOM 0 H TRP A 23 2.157 10.564 -24.165 1.00 0.00 H new ATOM 0 HA TRP A 23 -0.450 10.430 -25.281 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -0.078 12.712 -26.074 1.00 0.00 H new ATOM 0 HB3 TRP A 23 1.509 12.298 -26.692 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -2.152 11.037 -27.389 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -2.413 10.655 -29.928 1.00 0.00 H new ATOM 0 HE3 TRP A 23 2.590 12.299 -28.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -0.796 10.881 -32.214 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 3.161 12.195 -31.232 1.00 0.00 H new ATOM 0 HH2 TRP A 23 1.487 11.495 -32.900 1.00 0.00 H new ATOM 322 N TYR A 24 2.437 9.689 -26.802 1.00 0.00 N ATOM 323 CA TYR A 24 3.186 8.659 -27.560 1.00 0.00 C ATOM 324 C TYR A 24 4.668 9.090 -27.660 1.00 0.00 C ATOM 325 O TYR A 24 5.021 9.943 -28.477 1.00 0.00 O ATOM 326 CB TYR A 24 2.557 8.467 -28.971 1.00 0.00 C ATOM 327 CG TYR A 24 3.102 7.279 -29.789 1.00 0.00 C ATOM 328 CD1 TYR A 24 2.576 5.994 -29.622 1.00 0.00 C ATOM 329 CD2 TYR A 24 4.122 7.443 -30.738 1.00 0.00 C ATOM 330 CE1 TYR A 24 3.044 4.925 -30.362 1.00 0.00 C ATOM 331 CE2 TYR A 24 4.588 6.373 -31.483 1.00 0.00 C ATOM 332 CZ TYR A 24 4.046 5.119 -31.291 1.00 0.00 C ATOM 333 OH TYR A 24 4.499 4.053 -32.042 1.00 0.00 O ATOM 0 H TYR A 24 2.915 10.589 -26.764 1.00 0.00 H new ATOM 0 HA TYR A 24 3.131 7.701 -27.042 1.00 0.00 H new ATOM 0 HB2 TYR A 24 1.481 8.341 -28.855 1.00 0.00 H new ATOM 0 HB3 TYR A 24 2.711 9.381 -29.545 1.00 0.00 H new ATOM 0 HD1 TYR A 24 1.788 5.834 -28.900 1.00 0.00 H new ATOM 0 HD2 TYR A 24 4.552 8.422 -30.890 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.627 3.940 -30.214 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.372 6.519 -32.211 1.00 0.00 H new ATOM 0 HH TYR A 24 5.205 4.358 -32.650 1.00 0.00 H new ATOM 343 N ARG A 25 5.518 8.524 -26.789 1.00 0.00 N ATOM 344 CA ARG A 25 6.952 8.877 -26.706 1.00 0.00 C ATOM 345 C ARG A 25 7.790 7.946 -27.618 1.00 0.00 C ATOM 346 O ARG A 25 8.296 8.378 -28.657 1.00 0.00 O ATOM 347 CB ARG A 25 7.414 8.793 -25.220 1.00 0.00 C ATOM 348 CG ARG A 25 8.848 9.293 -24.932 1.00 0.00 C ATOM 349 CD ARG A 25 9.035 10.788 -25.258 1.00 0.00 C ATOM 350 NE ARG A 25 10.360 11.288 -24.838 1.00 0.00 N ATOM 351 CZ ARG A 25 11.221 11.930 -25.596 1.00 0.00 C ATOM 352 NH1 ARG A 25 10.980 12.157 -26.845 1.00 0.00 N ATOM 353 NH2 ARG A 25 12.331 12.345 -25.086 1.00 0.00 N ATOM 0 H ARG A 25 5.235 7.808 -26.120 1.00 0.00 H new ATOM 0 HA ARG A 25 7.103 9.897 -27.059 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.719 9.370 -24.610 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.339 7.756 -24.894 1.00 0.00 H new ATOM 0 HG2 ARG A 25 9.083 9.123 -23.881 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.557 8.707 -25.517 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.913 10.943 -26.330 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.256 11.367 -24.762 1.00 0.00 H new ATOM 0 HE ARG A 25 10.632 11.119 -23.870 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.106 11.836 -27.262 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.663 12.657 -27.414 1.00 0.00 H new ATOM 0 HH21 ARG A 25 12.535 12.174 -24.101 1.00 0.00 H new ATOM 0 HH22 ARG A 25 13.004 12.844 -25.667 1.00 0.00 H new ATOM 367 N ASN A 26 7.899 6.660 -27.223 1.00 0.00 N ATOM 368 CA ASN A 26 8.649 5.630 -27.985 1.00 0.00 C ATOM 369 C ASN A 26 8.211 4.215 -27.501 1.00 0.00 C ATOM 370 O ASN A 26 9.036 3.313 -27.303 1.00 0.00 O ATOM 371 CB ASN A 26 10.190 5.868 -27.812 1.00 0.00 C ATOM 372 CG ASN A 26 11.055 5.099 -28.823 1.00 0.00 C ATOM 373 OD1 ASN A 26 11.343 5.588 -29.907 1.00 0.00 O ATOM 374 ND2 ASN A 26 11.487 3.901 -28.477 1.00 0.00 N ATOM 0 H ASN A 26 7.471 6.303 -26.368 1.00 0.00 H new ATOM 0 HA ASN A 26 8.426 5.701 -29.049 1.00 0.00 H new ATOM 0 HB2 ASN A 26 10.396 6.934 -27.908 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.482 5.577 -26.803 1.00 0.00 H new ATOM 0 HD21 ASN A 26 12.072 3.365 -29.118 1.00 0.00 H new ATOM 0 HD22 ASN A 26 11.236 3.511 -27.569 1.00 0.00 H new ATOM 381 N GLY A 27 6.880 4.029 -27.336 1.00 0.00 N ATOM 382 CA GLY A 27 6.323 2.791 -26.756 1.00 0.00 C ATOM 383 C GLY A 27 6.627 2.677 -25.257 1.00 0.00 C ATOM 384 O GLY A 27 7.755 2.344 -24.876 1.00 0.00 O ATOM 0 H GLY A 27 6.177 4.720 -27.597 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.244 2.771 -26.911 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.736 1.927 -27.277 1.00 0.00 H new ATOM 388 N PHE A 28 5.624 2.977 -24.411 1.00 0.00 N ATOM 389 CA PHE A 28 5.801 3.063 -22.942 1.00 0.00 C ATOM 390 C PHE A 28 5.900 1.655 -22.306 1.00 0.00 C ATOM 391 O PHE A 28 4.898 1.119 -21.817 1.00 0.00 O ATOM 392 CB PHE A 28 4.622 3.851 -22.304 1.00 0.00 C ATOM 393 CG PHE A 28 4.322 5.198 -22.949 1.00 0.00 C ATOM 394 CD1 PHE A 28 5.022 6.344 -22.578 1.00 0.00 C ATOM 395 CD2 PHE A 28 3.325 5.322 -23.919 1.00 0.00 C ATOM 396 CE1 PHE A 28 4.734 7.564 -23.150 1.00 0.00 C ATOM 397 CE2 PHE A 28 3.042 6.543 -24.491 1.00 0.00 C ATOM 398 CZ PHE A 28 3.746 7.665 -24.105 1.00 0.00 C ATOM 0 H PHE A 28 4.671 3.166 -24.721 1.00 0.00 H new ATOM 0 HA PHE A 28 6.734 3.591 -22.747 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.725 3.234 -22.353 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.842 4.012 -21.249 1.00 0.00 H new ATOM 0 HD1 PHE A 28 5.800 6.275 -21.832 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.768 4.449 -24.225 1.00 0.00 H new ATOM 0 HE1 PHE A 28 5.284 8.443 -22.849 1.00 0.00 H new ATOM 0 HE2 PHE A 28 2.269 6.622 -25.241 1.00 0.00 H new ATOM 0 HZ PHE A 28 3.523 8.623 -24.552 1.00 0.00 H new ATOM 408 N CYS A 29 7.098 1.046 -22.352 1.00 0.00 N ATOM 409 CA CYS A 29 7.334 -0.290 -21.771 1.00 0.00 C ATOM 410 C CYS A 29 7.133 -0.249 -20.233 1.00 0.00 C ATOM 411 O CYS A 29 6.135 -0.774 -19.729 1.00 0.00 O ATOM 412 CB CYS A 29 8.747 -0.788 -22.132 1.00 0.00 C ATOM 413 SG CYS A 29 9.082 -0.815 -23.903 1.00 0.00 S ATOM 0 H CYS A 29 7.922 1.459 -22.788 1.00 0.00 H new ATOM 0 HA CYS A 29 6.611 -0.991 -22.189 1.00 0.00 H new ATOM 0 HB2 CYS A 29 9.483 -0.149 -21.643 1.00 0.00 H new ATOM 0 HB3 CYS A 29 8.881 -1.793 -21.732 1.00 0.00 H new ATOM 0 HG CYS A 29 8.672 0.296 -24.439 1.00 0.00 H new ATOM 419 N GLN A 30 8.097 0.396 -19.518 1.00 0.00 N ATOM 420 CA GLN A 30 8.025 0.718 -18.058 1.00 0.00 C ATOM 421 C GLN A 30 8.179 -0.521 -17.113 1.00 0.00 C ATOM 422 O GLN A 30 8.841 -0.425 -16.068 1.00 0.00 O ATOM 423 CB GLN A 30 6.726 1.513 -17.725 1.00 0.00 C ATOM 424 CG GLN A 30 6.632 2.043 -16.280 1.00 0.00 C ATOM 425 CD GLN A 30 5.332 2.798 -16.011 1.00 0.00 C ATOM 426 OE1 GLN A 30 4.330 2.219 -15.603 1.00 0.00 O ATOM 427 NE2 GLN A 30 5.335 4.096 -16.241 1.00 0.00 N ATOM 0 H GLN A 30 8.966 0.715 -19.947 1.00 0.00 H new ATOM 0 HA GLN A 30 8.893 1.346 -17.858 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.650 2.357 -18.410 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.867 0.870 -17.916 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.712 1.207 -15.585 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.477 2.703 -16.084 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.182 4.552 -16.580 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.490 4.644 -16.080 1.00 0.00 H new ATOM 436 N THR A 31 7.568 -1.668 -17.489 1.00 0.00 N ATOM 437 CA THR A 31 7.557 -2.910 -16.685 1.00 0.00 C ATOM 438 C THR A 31 8.979 -3.480 -16.447 1.00 0.00 C ATOM 439 O THR A 31 9.618 -4.038 -17.348 1.00 0.00 O ATOM 440 CB THR A 31 6.613 -4.002 -17.312 1.00 0.00 C ATOM 441 OG1 THR A 31 6.684 -5.218 -16.538 1.00 0.00 O ATOM 442 CG2 THR A 31 6.933 -4.309 -18.794 1.00 0.00 C ATOM 0 H THR A 31 7.063 -1.757 -18.371 1.00 0.00 H new ATOM 0 HA THR A 31 7.155 -2.635 -15.710 1.00 0.00 H new ATOM 0 HB THR A 31 5.603 -3.592 -17.285 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.093 -5.892 -16.933 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.246 -5.070 -19.165 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.822 -3.400 -19.386 1.00 0.00 H new ATOM 0 HG23 THR A 31 7.957 -4.674 -18.877 1.00 0.00 H new ATOM 450 N ASP A 32 9.474 -3.285 -15.215 1.00 0.00 N ATOM 451 CA ASP A 32 10.783 -3.800 -14.763 1.00 0.00 C ATOM 452 C ASP A 32 10.841 -5.342 -14.756 1.00 0.00 C ATOM 453 O ASP A 32 11.911 -5.932 -15.000 1.00 0.00 O ATOM 454 CB ASP A 32 11.080 -3.252 -13.352 1.00 0.00 C ATOM 455 CG ASP A 32 11.284 -1.739 -13.369 1.00 0.00 C ATOM 456 OD1 ASP A 32 12.426 -1.299 -13.636 1.00 0.00 O ATOM 457 OD2 ASP A 32 10.303 -0.985 -13.139 1.00 0.00 O ATOM 0 H ASP A 32 8.975 -2.761 -14.496 1.00 0.00 H new ATOM 0 HA ASP A 32 11.539 -3.459 -15.470 1.00 0.00 H new ATOM 0 HB2 ASP A 32 10.256 -3.501 -12.683 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.972 -3.736 -12.953 1.00 0.00 H new ATOM 462 N VAL A 33 9.665 -5.964 -14.494 1.00 0.00 N ATOM 463 CA VAL A 33 9.491 -7.422 -14.300 1.00 0.00 C ATOM 464 C VAL A 33 10.225 -7.903 -13.009 1.00 0.00 C ATOM 465 O VAL A 33 9.577 -8.241 -12.010 1.00 0.00 O ATOM 466 CB VAL A 33 9.926 -8.262 -15.570 1.00 0.00 C ATOM 467 CG1 VAL A 33 9.727 -9.786 -15.359 1.00 0.00 C ATOM 468 CG2 VAL A 33 9.191 -7.769 -16.853 1.00 0.00 C ATOM 0 H VAL A 33 8.788 -5.450 -14.410 1.00 0.00 H new ATOM 0 HA VAL A 33 8.424 -7.602 -14.169 1.00 0.00 H new ATOM 0 HB VAL A 33 10.994 -8.096 -15.710 1.00 0.00 H new ATOM 0 HG11 VAL A 33 10.039 -10.321 -16.256 1.00 0.00 H new ATOM 0 HG12 VAL A 33 10.327 -10.117 -14.512 1.00 0.00 H new ATOM 0 HG13 VAL A 33 8.675 -9.992 -15.161 1.00 0.00 H new ATOM 0 HG21 VAL A 33 9.511 -8.365 -17.707 1.00 0.00 H new ATOM 0 HG22 VAL A 33 8.114 -7.875 -16.719 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.433 -6.721 -17.031 1.00 0.00 H new ATOM 478 N GLN A 34 11.575 -7.902 -13.033 1.00 0.00 N ATOM 479 CA GLN A 34 12.408 -8.300 -11.873 1.00 0.00 C ATOM 480 C GLN A 34 13.741 -7.504 -11.792 1.00 0.00 C ATOM 481 O GLN A 34 14.499 -7.670 -10.831 1.00 0.00 O ATOM 482 CB GLN A 34 12.679 -9.829 -11.934 1.00 0.00 C ATOM 483 CG GLN A 34 13.450 -10.297 -13.187 1.00 0.00 C ATOM 484 CD GLN A 34 13.600 -11.818 -13.250 1.00 0.00 C ATOM 485 OE1 GLN A 34 14.557 -12.388 -12.734 1.00 0.00 O ATOM 486 NE2 GLN A 34 12.654 -12.489 -13.884 1.00 0.00 N ATOM 0 H GLN A 34 12.118 -7.627 -13.852 1.00 0.00 H new ATOM 0 HA GLN A 34 11.854 -8.060 -10.966 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.242 -10.120 -11.047 1.00 0.00 H new ATOM 0 HB3 GLN A 34 11.725 -10.355 -11.893 1.00 0.00 H new ATOM 0 HG2 GLN A 34 12.930 -9.949 -14.080 1.00 0.00 H new ATOM 0 HG3 GLN A 34 14.438 -9.837 -13.194 1.00 0.00 H new ATOM 0 HE21 GLN A 34 11.869 -11.991 -14.304 1.00 0.00 H new ATOM 0 HE22 GLN A 34 12.709 -13.505 -13.953 1.00 0.00 H new ATOM 495 N ASP A 35 14.012 -6.616 -12.773 1.00 0.00 N ATOM 496 CA ASP A 35 15.312 -5.894 -12.866 1.00 0.00 C ATOM 497 C ASP A 35 15.189 -4.391 -12.539 1.00 0.00 C ATOM 498 O ASP A 35 14.099 -3.829 -12.594 1.00 0.00 O ATOM 499 CB ASP A 35 15.911 -6.070 -14.273 1.00 0.00 C ATOM 500 CG ASP A 35 16.202 -7.538 -14.595 1.00 0.00 C ATOM 501 OD1 ASP A 35 17.199 -8.077 -14.076 1.00 0.00 O ATOM 502 OD2 ASP A 35 15.430 -8.161 -15.346 1.00 0.00 O ATOM 0 H ASP A 35 13.352 -6.378 -13.514 1.00 0.00 H new ATOM 0 HA ASP A 35 15.971 -6.333 -12.117 1.00 0.00 H new ATOM 0 HB2 ASP A 35 15.220 -5.667 -15.014 1.00 0.00 H new ATOM 0 HB3 ASP A 35 16.833 -5.493 -14.349 1.00 0.00 H new ATOM 507 N ARG A 36 16.352 -3.777 -12.213 1.00 0.00 N ATOM 508 CA ARG A 36 16.501 -2.334 -11.895 1.00 0.00 C ATOM 509 C ARG A 36 15.544 -1.847 -10.771 1.00 0.00 C ATOM 510 O ARG A 36 15.894 -1.896 -9.592 1.00 0.00 O ATOM 511 CB ARG A 36 16.341 -1.441 -13.161 1.00 0.00 C ATOM 512 CG ARG A 36 17.415 -1.631 -14.253 1.00 0.00 C ATOM 513 CD ARG A 36 17.209 -0.651 -15.423 1.00 0.00 C ATOM 514 NE ARG A 36 18.252 -0.749 -16.455 1.00 0.00 N ATOM 515 CZ ARG A 36 18.298 -0.030 -17.554 1.00 0.00 C ATOM 516 NH1 ARG A 36 17.361 0.831 -17.846 1.00 0.00 N ATOM 517 NH2 ARG A 36 19.290 -0.180 -18.362 1.00 0.00 N ATOM 0 H ARG A 36 17.236 -4.284 -12.162 1.00 0.00 H new ATOM 0 HA ARG A 36 17.518 -2.228 -11.517 1.00 0.00 H new ATOM 0 HB2 ARG A 36 15.363 -1.638 -13.601 1.00 0.00 H new ATOM 0 HB3 ARG A 36 16.346 -0.396 -12.850 1.00 0.00 H new ATOM 0 HG2 ARG A 36 18.405 -1.481 -13.821 1.00 0.00 H new ATOM 0 HG3 ARG A 36 17.381 -2.655 -14.624 1.00 0.00 H new ATOM 0 HD2 ARG A 36 16.237 -0.840 -15.879 1.00 0.00 H new ATOM 0 HD3 ARG A 36 17.186 0.367 -15.035 1.00 0.00 H new ATOM 0 HE ARG A 36 18.998 -1.428 -16.306 1.00 0.00 H new ATOM 0 HH11 ARG A 36 16.570 0.958 -17.215 1.00 0.00 H new ATOM 0 HH12 ARG A 36 17.420 1.377 -18.705 1.00 0.00 H new ATOM 0 HH21 ARG A 36 20.027 -0.851 -18.145 1.00 0.00 H new ATOM 0 HH22 ARG A 36 19.338 0.372 -19.219 1.00 0.00 H new ATOM 531 N GLY A 37 14.320 -1.434 -11.166 1.00 0.00 N ATOM 532 CA GLY A 37 13.405 -0.670 -10.311 1.00 0.00 C ATOM 533 C GLY A 37 13.227 0.755 -10.846 1.00 0.00 C ATOM 534 O GLY A 37 14.014 1.645 -10.519 1.00 0.00 O ATOM 0 H GLY A 37 13.943 -1.626 -12.094 1.00 0.00 H new ATOM 0 HA2 GLY A 37 12.438 -1.171 -10.266 1.00 0.00 H new ATOM 0 HA3 GLY A 37 13.794 -0.636 -9.293 1.00 0.00 H new ATOM 538 N SER A 38 12.193 0.960 -11.693 1.00 0.00 N ATOM 539 CA SER A 38 11.987 2.216 -12.460 1.00 0.00 C ATOM 540 C SER A 38 10.657 2.903 -12.093 1.00 0.00 C ATOM 541 O SER A 38 10.666 4.051 -11.627 1.00 0.00 O ATOM 542 CB SER A 38 12.034 1.929 -13.983 1.00 0.00 C ATOM 543 OG SER A 38 11.876 3.106 -14.755 1.00 0.00 O ATOM 0 H SER A 38 11.474 0.258 -11.866 1.00 0.00 H new ATOM 0 HA SER A 38 12.796 2.897 -12.194 1.00 0.00 H new ATOM 0 HB2 SER A 38 12.985 1.458 -14.233 1.00 0.00 H new ATOM 0 HB3 SER A 38 11.248 1.219 -14.241 1.00 0.00 H new ATOM 0 HG SER A 38 11.914 2.880 -15.708 1.00 0.00 H new ATOM 549 N HIS A 39 9.509 2.213 -12.314 1.00 0.00 N ATOM 550 CA HIS A 39 8.167 2.812 -12.061 1.00 0.00 C ATOM 551 C HIS A 39 7.032 1.747 -12.163 1.00 0.00 C ATOM 552 O HIS A 39 6.126 1.867 -12.989 1.00 0.00 O ATOM 553 CB HIS A 39 7.923 4.004 -13.059 1.00 0.00 C ATOM 554 CG HIS A 39 6.777 4.926 -12.708 1.00 0.00 C ATOM 555 ND1 HIS A 39 6.952 6.112 -12.031 1.00 0.00 N ATOM 556 CD2 HIS A 39 5.442 4.845 -12.957 1.00 0.00 C ATOM 557 CE1 HIS A 39 5.790 6.714 -11.883 1.00 0.00 C ATOM 558 NE2 HIS A 39 4.860 5.968 -12.434 1.00 0.00 N ATOM 0 H HIS A 39 9.481 1.255 -12.662 1.00 0.00 H new ATOM 0 HA HIS A 39 8.147 3.196 -11.041 1.00 0.00 H new ATOM 0 HB2 HIS A 39 8.836 4.596 -13.120 1.00 0.00 H new ATOM 0 HB3 HIS A 39 7.743 3.592 -14.052 1.00 0.00 H new ATOM 0 HD2 HIS A 39 4.935 4.043 -13.472 1.00 0.00 H new ATOM 0 HE1 HIS A 39 5.629 7.662 -11.391 1.00 0.00 H new ATOM 0 HE2 HIS A 39 3.865 6.190 -12.467 1.00 0.00 H new ATOM 567 N THR A 40 7.074 0.697 -11.318 1.00 0.00 N ATOM 568 CA THR A 40 6.004 -0.352 -11.288 1.00 0.00 C ATOM 569 C THR A 40 5.677 -0.801 -9.836 1.00 0.00 C ATOM 570 O THR A 40 6.439 -1.540 -9.200 1.00 0.00 O ATOM 571 CB THR A 40 6.358 -1.605 -12.183 1.00 0.00 C ATOM 572 OG1 THR A 40 7.673 -2.104 -11.889 1.00 0.00 O ATOM 573 CG2 THR A 40 6.260 -1.301 -13.684 1.00 0.00 C ATOM 0 H THR A 40 7.827 0.543 -10.647 1.00 0.00 H new ATOM 0 HA THR A 40 5.115 0.115 -11.713 1.00 0.00 H new ATOM 0 HB THR A 40 5.617 -2.366 -11.938 1.00 0.00 H new ATOM 0 HG1 THR A 40 8.337 -1.597 -12.401 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.513 -2.195 -14.254 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.243 -0.992 -13.927 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.954 -0.500 -13.939 1.00 0.00 H new ATOM 581 N VAL A 41 4.533 -0.296 -9.312 1.00 0.00 N ATOM 582 CA VAL A 41 3.998 -0.634 -7.967 1.00 0.00 C ATOM 583 C VAL A 41 2.462 -0.860 -8.072 1.00 0.00 C ATOM 584 O VAL A 41 1.717 0.094 -8.270 1.00 0.00 O ATOM 585 CB VAL A 41 4.259 0.523 -6.907 1.00 0.00 C ATOM 586 CG1 VAL A 41 3.828 0.086 -5.477 1.00 0.00 C ATOM 587 CG2 VAL A 41 5.731 1.018 -6.923 1.00 0.00 C ATOM 0 H VAL A 41 3.947 0.367 -9.818 1.00 0.00 H new ATOM 0 HA VAL A 41 4.512 -1.533 -7.627 1.00 0.00 H new ATOM 0 HB VAL A 41 3.638 1.368 -7.204 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.019 0.898 -4.775 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.765 -0.153 -5.475 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.398 -0.793 -5.178 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.857 1.807 -6.182 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.397 0.188 -6.686 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.973 1.407 -7.912 1.00 0.00 H new ATOM 597 N CYS A 42 1.991 -2.116 -7.973 1.00 0.00 N ATOM 598 CA CYS A 42 0.530 -2.429 -7.958 1.00 0.00 C ATOM 599 C CYS A 42 0.092 -2.993 -6.589 1.00 0.00 C ATOM 600 O CYS A 42 0.425 -4.119 -6.224 1.00 0.00 O ATOM 601 CB CYS A 42 0.159 -3.408 -9.098 1.00 0.00 C ATOM 602 SG CYS A 42 0.400 -2.702 -10.744 1.00 0.00 S ATOM 0 H CYS A 42 2.591 -2.938 -7.902 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.008 -1.496 -8.124 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.762 -4.311 -9.004 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.883 -3.708 -8.987 1.00 0.00 H new ATOM 0 HG CYS A 42 1.531 -3.116 -11.232 1.00 0.00 H new ATOM 608 N ALA A 43 -0.695 -2.187 -5.861 1.00 0.00 N ATOM 609 CA ALA A 43 -1.227 -2.509 -4.523 1.00 0.00 C ATOM 610 C ALA A 43 -2.686 -2.030 -4.453 1.00 0.00 C ATOM 611 O ALA A 43 -3.047 -1.061 -5.133 1.00 0.00 O ATOM 612 CB ALA A 43 -0.376 -1.816 -3.445 1.00 0.00 C ATOM 0 H ALA A 43 -0.988 -1.268 -6.193 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.188 -3.584 -4.347 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.772 -2.056 -2.458 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.655 -2.163 -3.516 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.407 -0.737 -3.595 1.00 0.00 H new ATOM 618 N GLU A 44 -3.536 -2.701 -3.662 1.00 0.00 N ATOM 619 CA GLU A 44 -4.963 -2.327 -3.568 1.00 0.00 C ATOM 620 C GLU A 44 -5.360 -1.983 -2.123 1.00 0.00 C ATOM 621 O GLU A 44 -5.319 -2.836 -1.228 1.00 0.00 O ATOM 622 CB GLU A 44 -5.867 -3.443 -4.136 1.00 0.00 C ATOM 623 CG GLU A 44 -7.251 -2.936 -4.530 1.00 0.00 C ATOM 624 CD GLU A 44 -8.112 -4.001 -5.226 1.00 0.00 C ATOM 625 OE1 GLU A 44 -7.923 -4.223 -6.439 1.00 0.00 O ATOM 626 OE2 GLU A 44 -8.983 -4.608 -4.574 1.00 0.00 O ATOM 0 H GLU A 44 -3.269 -3.497 -3.083 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.108 -1.432 -4.173 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.385 -3.887 -5.007 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.972 -4.233 -3.393 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.770 -2.585 -3.638 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.141 -2.078 -5.193 1.00 0.00 H new ATOM 633 N MET A 45 -5.720 -0.707 -1.922 1.00 0.00 N ATOM 634 CA MET A 45 -6.152 -0.163 -0.623 1.00 0.00 C ATOM 635 C MET A 45 -7.678 -0.315 -0.433 1.00 0.00 C ATOM 636 O MET A 45 -8.450 -0.154 -1.390 1.00 0.00 O ATOM 637 CB MET A 45 -5.737 1.329 -0.556 1.00 0.00 C ATOM 638 CG MET A 45 -4.248 1.553 -0.849 1.00 0.00 C ATOM 639 SD MET A 45 -3.196 1.000 0.505 1.00 0.00 S ATOM 640 CE MET A 45 -3.741 2.085 1.828 1.00 0.00 C ATOM 0 H MET A 45 -5.720 -0.012 -2.668 1.00 0.00 H new ATOM 0 HA MET A 45 -5.672 -0.720 0.182 1.00 0.00 H new ATOM 0 HB2 MET A 45 -6.331 1.898 -1.271 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.969 1.720 0.434 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.975 1.020 -1.760 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.071 2.613 -1.034 1.00 0.00 H new ATOM 0 HE1 MET A 45 -2.948 2.181 2.570 1.00 0.00 H new ATOM 0 HE2 MET A 45 -3.977 3.068 1.419 1.00 0.00 H new ATOM 0 HE3 MET A 45 -4.630 1.666 2.300 1.00 0.00 H new ATOM 650 N THR A 46 -8.098 -0.609 0.811 1.00 0.00 N ATOM 651 CA THR A 46 -9.530 -0.760 1.167 1.00 0.00 C ATOM 652 C THR A 46 -10.124 0.617 1.519 1.00 0.00 C ATOM 653 O THR A 46 -9.398 1.484 2.020 1.00 0.00 O ATOM 654 CB THR A 46 -9.728 -1.730 2.381 1.00 0.00 C ATOM 655 OG1 THR A 46 -9.151 -1.166 3.563 1.00 0.00 O ATOM 656 CG2 THR A 46 -9.100 -3.116 2.129 1.00 0.00 C ATOM 0 H THR A 46 -7.463 -0.749 1.597 1.00 0.00 H new ATOM 0 HA THR A 46 -10.042 -1.185 0.304 1.00 0.00 H new ATOM 0 HB THR A 46 -10.802 -1.862 2.510 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.191 -1.028 3.424 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.263 -3.753 2.998 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.563 -3.571 1.254 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.029 -3.005 1.957 1.00 0.00 H new ATOM 664 N GLU A 47 -11.446 0.799 1.290 1.00 0.00 N ATOM 665 CA GLU A 47 -12.133 2.114 1.463 1.00 0.00 C ATOM 666 C GLU A 47 -11.923 2.708 2.871 1.00 0.00 C ATOM 667 O GLU A 47 -11.811 3.916 3.030 1.00 0.00 O ATOM 668 CB GLU A 47 -13.648 1.980 1.176 1.00 0.00 C ATOM 669 CG GLU A 47 -14.403 3.323 1.133 1.00 0.00 C ATOM 670 CD GLU A 47 -15.921 3.149 0.976 1.00 0.00 C ATOM 671 OE1 GLU A 47 -16.605 2.895 1.987 1.00 0.00 O ATOM 672 OE2 GLU A 47 -16.431 3.227 -0.162 1.00 0.00 O ATOM 0 H GLU A 47 -12.067 0.050 0.983 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.683 2.798 0.744 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.782 1.470 0.222 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -14.097 1.348 1.942 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -14.199 3.879 2.048 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -14.023 3.922 0.305 1.00 0.00 H new ATOM 679 N GLU A 48 -11.835 1.809 3.859 1.00 0.00 N ATOM 680 CA GLU A 48 -11.531 2.120 5.266 1.00 0.00 C ATOM 681 C GLU A 48 -10.282 3.042 5.401 1.00 0.00 C ATOM 682 O GLU A 48 -10.306 4.047 6.107 1.00 0.00 O ATOM 683 CB GLU A 48 -11.292 0.758 5.976 1.00 0.00 C ATOM 684 CG GLU A 48 -10.816 0.816 7.434 1.00 0.00 C ATOM 685 CD GLU A 48 -11.854 1.381 8.417 1.00 0.00 C ATOM 686 OE1 GLU A 48 -12.848 0.680 8.715 1.00 0.00 O ATOM 687 OE2 GLU A 48 -11.688 2.521 8.899 1.00 0.00 O ATOM 0 H GLU A 48 -11.978 0.812 3.698 1.00 0.00 H new ATOM 0 HA GLU A 48 -12.357 2.667 5.721 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.221 0.190 5.944 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.556 0.198 5.399 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.539 -0.189 7.754 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -9.914 1.426 7.485 1.00 0.00 H new ATOM 694 N PHE A 49 -9.218 2.683 4.678 1.00 0.00 N ATOM 695 CA PHE A 49 -7.914 3.385 4.716 1.00 0.00 C ATOM 696 C PHE A 49 -7.892 4.697 3.908 1.00 0.00 C ATOM 697 O PHE A 49 -7.200 5.648 4.298 1.00 0.00 O ATOM 698 CB PHE A 49 -6.808 2.406 4.256 1.00 0.00 C ATOM 699 CG PHE A 49 -6.515 1.370 5.327 1.00 0.00 C ATOM 700 CD1 PHE A 49 -7.372 0.296 5.538 1.00 0.00 C ATOM 701 CD2 PHE A 49 -5.421 1.507 6.160 1.00 0.00 C ATOM 702 CE1 PHE A 49 -7.136 -0.615 6.538 1.00 0.00 C ATOM 703 CE2 PHE A 49 -5.193 0.600 7.162 1.00 0.00 C ATOM 704 CZ PHE A 49 -6.047 -0.463 7.353 1.00 0.00 C ATOM 0 H PHE A 49 -9.229 1.888 4.039 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.731 3.695 5.745 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.119 1.907 3.338 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.899 2.962 4.025 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -8.238 0.176 4.904 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.741 2.334 6.021 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -7.808 -1.449 6.681 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.336 0.720 7.808 1.00 0.00 H new ATOM 0 HZ PHE A 49 -5.858 -1.174 8.143 1.00 0.00 H new ATOM 714 N LEU A 50 -8.629 4.755 2.784 1.00 0.00 N ATOM 715 CA LEU A 50 -8.768 6.017 2.010 1.00 0.00 C ATOM 716 C LEU A 50 -9.654 7.031 2.781 1.00 0.00 C ATOM 717 O LEU A 50 -9.454 8.246 2.688 1.00 0.00 O ATOM 718 CB LEU A 50 -9.339 5.783 0.579 1.00 0.00 C ATOM 719 CG LEU A 50 -8.441 4.986 -0.424 1.00 0.00 C ATOM 720 CD1 LEU A 50 -8.494 3.479 -0.170 1.00 0.00 C ATOM 721 CD2 LEU A 50 -8.809 5.320 -1.886 1.00 0.00 C ATOM 0 H LEU A 50 -9.133 3.960 2.390 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.765 6.427 1.892 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.288 5.256 0.675 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.557 6.756 0.138 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.412 5.302 -0.254 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.856 2.966 -0.890 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.144 3.268 0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.520 3.127 -0.280 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.169 4.752 -2.561 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.851 5.058 -2.068 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.667 6.386 -2.063 1.00 0.00 H new ATOM 733 N LEU A 51 -10.627 6.497 3.549 1.00 0.00 N ATOM 734 CA LEU A 51 -11.501 7.285 4.443 1.00 0.00 C ATOM 735 C LEU A 51 -10.755 7.721 5.726 1.00 0.00 C ATOM 736 O LEU A 51 -11.101 8.753 6.303 1.00 0.00 O ATOM 737 CB LEU A 51 -12.800 6.500 4.791 1.00 0.00 C ATOM 738 CG LEU A 51 -13.840 6.344 3.638 1.00 0.00 C ATOM 739 CD1 LEU A 51 -15.097 5.586 4.122 1.00 0.00 C ATOM 740 CD2 LEU A 51 -14.204 7.718 3.027 1.00 0.00 C ATOM 0 H LEU A 51 -10.830 5.497 3.566 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.788 8.190 3.907 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.517 5.505 5.135 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -13.288 6.999 5.628 1.00 0.00 H new ATOM 0 HG LEU A 51 -13.382 5.747 2.850 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -15.805 5.492 3.298 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -14.812 4.593 4.471 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -15.562 6.138 4.939 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -14.930 7.579 2.226 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -14.633 8.357 3.799 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -13.306 8.187 2.625 1.00 0.00 H new ATOM 752 N PHE A 52 -9.766 6.915 6.186 1.00 0.00 N ATOM 753 CA PHE A 52 -8.886 7.306 7.320 1.00 0.00 C ATOM 754 C PHE A 52 -8.026 8.531 6.932 1.00 0.00 C ATOM 755 O PHE A 52 -7.943 9.498 7.688 1.00 0.00 O ATOM 756 CB PHE A 52 -7.971 6.135 7.773 1.00 0.00 C ATOM 757 CG PHE A 52 -7.054 6.496 8.958 1.00 0.00 C ATOM 758 CD1 PHE A 52 -7.526 6.445 10.273 1.00 0.00 C ATOM 759 CD2 PHE A 52 -5.731 6.913 8.757 1.00 0.00 C ATOM 760 CE1 PHE A 52 -6.713 6.792 11.338 1.00 0.00 C ATOM 761 CE2 PHE A 52 -4.922 7.260 9.825 1.00 0.00 C ATOM 762 CZ PHE A 52 -5.413 7.198 11.114 1.00 0.00 C ATOM 0 H PHE A 52 -9.557 5.997 5.794 1.00 0.00 H new ATOM 0 HA PHE A 52 -9.530 7.567 8.160 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -8.593 5.284 8.051 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -7.356 5.818 6.931 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -8.542 6.130 10.461 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.337 6.964 7.753 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -7.097 6.745 12.346 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.905 7.580 9.650 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.780 7.467 11.947 1.00 0.00 H new ATOM 772 N SER A 53 -7.376 8.450 5.751 1.00 0.00 N ATOM 773 CA SER A 53 -6.572 9.566 5.174 1.00 0.00 C ATOM 774 C SER A 53 -7.438 10.834 5.001 1.00 0.00 C ATOM 775 O SER A 53 -7.014 11.947 5.333 1.00 0.00 O ATOM 776 CB SER A 53 -5.974 9.147 3.809 1.00 0.00 C ATOM 777 OG SER A 53 -5.206 10.195 3.225 1.00 0.00 O ATOM 0 H SER A 53 -7.389 7.614 5.167 1.00 0.00 H new ATOM 0 HA SER A 53 -5.760 9.792 5.865 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.346 8.266 3.942 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.779 8.865 3.131 1.00 0.00 H new ATOM 0 HG SER A 53 -4.843 9.895 2.366 1.00 0.00 H new ATOM 783 N ARG A 54 -8.668 10.623 4.505 1.00 0.00 N ATOM 784 CA ARG A 54 -9.678 11.684 4.319 1.00 0.00 C ATOM 785 C ARG A 54 -10.046 12.361 5.674 1.00 0.00 C ATOM 786 O ARG A 54 -10.055 13.588 5.789 1.00 0.00 O ATOM 787 CB ARG A 54 -10.930 11.068 3.638 1.00 0.00 C ATOM 788 CG ARG A 54 -12.016 12.075 3.215 1.00 0.00 C ATOM 789 CD ARG A 54 -13.237 11.390 2.573 1.00 0.00 C ATOM 790 NE ARG A 54 -14.283 12.359 2.205 1.00 0.00 N ATOM 791 CZ ARG A 54 -15.576 12.156 2.284 1.00 0.00 C ATOM 792 NH1 ARG A 54 -16.062 11.056 2.768 1.00 0.00 N ATOM 793 NH2 ARG A 54 -16.383 13.086 1.896 1.00 0.00 N ATOM 0 H ARG A 54 -8.995 9.701 4.218 1.00 0.00 H new ATOM 0 HA ARG A 54 -9.267 12.466 3.680 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.607 10.516 2.755 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.375 10.345 4.321 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.339 12.644 4.087 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.591 12.788 2.509 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.921 10.843 1.685 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.649 10.658 3.268 1.00 0.00 H new ATOM 0 HE ARG A 54 -13.975 13.267 1.858 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -15.434 10.323 3.099 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -17.072 10.923 2.818 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -16.012 13.965 1.534 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -17.391 12.942 1.952 1.00 0.00 H new ATOM 807 N ASP A 55 -10.294 11.528 6.701 1.00 0.00 N ATOM 808 CA ASP A 55 -10.659 11.991 8.063 1.00 0.00 C ATOM 809 C ASP A 55 -9.467 12.693 8.770 1.00 0.00 C ATOM 810 O ASP A 55 -9.659 13.629 9.550 1.00 0.00 O ATOM 811 CB ASP A 55 -11.152 10.782 8.902 1.00 0.00 C ATOM 812 CG ASP A 55 -11.634 11.175 10.308 1.00 0.00 C ATOM 813 OD1 ASP A 55 -12.796 11.620 10.444 1.00 0.00 O ATOM 814 OD2 ASP A 55 -10.852 11.058 11.279 1.00 0.00 O ATOM 0 H ASP A 55 -10.248 10.513 6.615 1.00 0.00 H new ATOM 0 HA ASP A 55 -11.459 12.726 7.973 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -11.966 10.288 8.371 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -10.343 10.057 8.992 1.00 0.00 H new ATOM 819 N ARG A 56 -8.243 12.229 8.465 1.00 0.00 N ATOM 820 CA ARG A 56 -6.993 12.744 9.072 1.00 0.00 C ATOM 821 C ARG A 56 -6.756 14.233 8.698 1.00 0.00 C ATOM 822 O ARG A 56 -6.225 15.006 9.502 1.00 0.00 O ATOM 823 CB ARG A 56 -5.804 11.850 8.622 1.00 0.00 C ATOM 824 CG ARG A 56 -4.453 12.144 9.317 1.00 0.00 C ATOM 825 CD ARG A 56 -3.317 11.231 8.812 1.00 0.00 C ATOM 826 NE ARG A 56 -3.109 11.372 7.360 1.00 0.00 N ATOM 827 CZ ARG A 56 -2.116 10.865 6.666 1.00 0.00 C ATOM 828 NH1 ARG A 56 -1.152 10.202 7.227 1.00 0.00 N ATOM 829 NH2 ARG A 56 -2.084 11.059 5.393 1.00 0.00 N ATOM 0 H ARG A 56 -8.087 11.482 7.788 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.079 12.703 10.158 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.067 10.808 8.802 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.672 11.964 7.546 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.180 13.186 9.147 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.566 12.016 10.393 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.394 11.475 9.337 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.553 10.193 9.047 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.802 11.915 6.845 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.150 10.061 8.237 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -0.396 9.822 6.658 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.822 11.599 4.941 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.321 10.673 4.837 1.00 0.00 H new ATOM 843 N GLY A 57 -7.167 14.615 7.470 1.00 0.00 N ATOM 844 CA GLY A 57 -7.075 16.013 6.998 1.00 0.00 C ATOM 845 C GLY A 57 -6.899 16.113 5.484 1.00 0.00 C ATOM 846 O GLY A 57 -6.001 16.811 5.002 1.00 0.00 O ATOM 0 H GLY A 57 -7.567 13.973 6.786 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.976 16.551 7.291 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.236 16.504 7.491 1.00 0.00 H new ATOM 850 N ASN A 58 -7.786 15.434 4.734 1.00 0.00 N ATOM 851 CA ASN A 58 -7.679 15.304 3.256 1.00 0.00 C ATOM 852 C ASN A 58 -9.082 15.063 2.630 1.00 0.00 C ATOM 853 O ASN A 58 -10.057 14.840 3.353 1.00 0.00 O ATOM 854 CB ASN A 58 -6.699 14.130 2.940 1.00 0.00 C ATOM 855 CG ASN A 58 -6.369 13.919 1.462 1.00 0.00 C ATOM 856 OD1 ASN A 58 -6.375 14.849 0.662 1.00 0.00 O ATOM 857 ND2 ASN A 58 -6.066 12.688 1.090 1.00 0.00 N ATOM 0 H ASN A 58 -8.598 14.958 5.127 1.00 0.00 H new ATOM 0 HA ASN A 58 -7.290 16.224 2.820 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -5.768 14.303 3.480 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -7.128 13.208 3.332 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -5.830 12.493 0.117 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -6.069 11.933 1.776 1.00 0.00 H new ATOM 864 N ASP A 59 -9.179 15.146 1.288 1.00 0.00 N ATOM 865 CA ASP A 59 -10.398 14.756 0.545 1.00 0.00 C ATOM 866 C ASP A 59 -10.077 14.540 -0.956 1.00 0.00 C ATOM 867 O ASP A 59 -9.273 15.277 -1.537 1.00 0.00 O ATOM 868 CB ASP A 59 -11.521 15.824 0.719 1.00 0.00 C ATOM 869 CG ASP A 59 -12.931 15.355 0.315 1.00 0.00 C ATOM 870 OD1 ASP A 59 -13.151 14.137 0.128 1.00 0.00 O ATOM 871 OD2 ASP A 59 -13.837 16.207 0.222 1.00 0.00 O ATOM 0 H ASP A 59 -8.423 15.482 0.692 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.760 13.814 0.958 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -11.544 16.139 1.762 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -11.262 16.702 0.127 1.00 0.00 H new ATOM 876 N LEU A 60 -10.740 13.531 -1.557 1.00 0.00 N ATOM 877 CA LEU A 60 -10.576 13.148 -2.981 1.00 0.00 C ATOM 878 C LEU A 60 -11.568 12.018 -3.337 1.00 0.00 C ATOM 879 O LEU A 60 -12.356 12.129 -4.289 1.00 0.00 O ATOM 880 CB LEU A 60 -9.116 12.686 -3.292 1.00 0.00 C ATOM 881 CG LEU A 60 -8.825 12.241 -4.768 1.00 0.00 C ATOM 882 CD1 LEU A 60 -9.119 13.377 -5.777 1.00 0.00 C ATOM 883 CD2 LEU A 60 -7.378 11.711 -4.916 1.00 0.00 C ATOM 0 H LEU A 60 -11.415 12.948 -1.062 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.784 14.029 -3.589 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.439 13.502 -3.041 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.872 11.855 -2.630 1.00 0.00 H new ATOM 0 HG LEU A 60 -9.504 11.421 -5.003 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -8.905 13.030 -6.788 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.168 13.664 -5.706 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.491 14.238 -5.549 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.205 11.410 -5.949 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.673 12.497 -4.644 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.236 10.853 -4.259 1.00 0.00 H new ATOM 895 N MET A 61 -11.502 10.922 -2.554 1.00 0.00 N ATOM 896 CA MET A 61 -12.325 9.718 -2.773 1.00 0.00 C ATOM 897 C MET A 61 -13.773 9.971 -2.279 1.00 0.00 C ATOM 898 O MET A 61 -14.077 9.811 -1.092 1.00 0.00 O ATOM 899 CB MET A 61 -11.669 8.489 -2.062 1.00 0.00 C ATOM 900 CG MET A 61 -12.124 7.111 -2.585 1.00 0.00 C ATOM 901 SD MET A 61 -13.872 6.747 -2.306 1.00 0.00 S ATOM 902 CE MET A 61 -13.932 6.579 -0.523 1.00 0.00 C ATOM 0 H MET A 61 -10.876 10.848 -1.752 1.00 0.00 H new ATOM 0 HA MET A 61 -12.376 9.494 -3.839 1.00 0.00 H new ATOM 0 HB2 MET A 61 -10.587 8.562 -2.169 1.00 0.00 H new ATOM 0 HB3 MET A 61 -11.888 8.546 -0.996 1.00 0.00 H new ATOM 0 HG2 MET A 61 -11.920 7.056 -3.654 1.00 0.00 H new ATOM 0 HG3 MET A 61 -11.523 6.338 -2.106 1.00 0.00 H new ATOM 0 HE1 MET A 61 -14.851 6.068 -0.236 1.00 0.00 H new ATOM 0 HE2 MET A 61 -13.074 6.000 -0.183 1.00 0.00 H new ATOM 0 HE3 MET A 61 -13.908 7.567 -0.063 1.00 0.00 H new ATOM 912 N THR A 62 -14.631 10.440 -3.201 1.00 0.00 N ATOM 913 CA THR A 62 -16.070 10.713 -2.945 1.00 0.00 C ATOM 914 C THR A 62 -16.942 10.170 -4.110 1.00 0.00 C ATOM 915 O THR A 62 -16.565 10.329 -5.281 1.00 0.00 O ATOM 916 CB THR A 62 -16.346 12.252 -2.776 1.00 0.00 C ATOM 917 OG1 THR A 62 -15.773 12.971 -3.878 1.00 0.00 O ATOM 918 CG2 THR A 62 -15.793 12.814 -1.454 1.00 0.00 C ATOM 0 H THR A 62 -14.349 10.645 -4.159 1.00 0.00 H new ATOM 0 HA THR A 62 -16.333 10.206 -2.017 1.00 0.00 H new ATOM 0 HB THR A 62 -17.428 12.382 -2.757 1.00 0.00 H new ATOM 0 HG1 THR A 62 -15.948 13.929 -3.770 1.00 0.00 H new ATOM 0 HG21 THR A 62 -16.012 13.880 -1.392 1.00 0.00 H new ATOM 0 HG22 THR A 62 -16.260 12.298 -0.615 1.00 0.00 H new ATOM 0 HG23 THR A 62 -14.714 12.663 -1.417 1.00 0.00 H new ATOM 926 N PRO A 63 -18.118 9.508 -3.817 1.00 0.00 N ATOM 927 CA PRO A 63 -19.063 9.038 -4.868 1.00 0.00 C ATOM 928 C PRO A 63 -19.815 10.211 -5.563 1.00 0.00 C ATOM 929 O PRO A 63 -20.852 10.682 -5.075 1.00 0.00 O ATOM 930 CB PRO A 63 -20.044 8.090 -4.100 1.00 0.00 C ATOM 931 CG PRO A 63 -19.413 7.880 -2.750 1.00 0.00 C ATOM 932 CD PRO A 63 -18.611 9.133 -2.468 1.00 0.00 C ATOM 0 HA PRO A 63 -18.546 8.534 -5.684 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -21.033 8.538 -4.007 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -20.171 7.144 -4.627 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -20.172 7.722 -1.984 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -18.772 6.998 -2.751 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -19.226 9.918 -2.028 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -17.792 8.943 -1.775 1.00 0.00 H new ATOM 940 N ARG A 64 -19.243 10.702 -6.675 1.00 0.00 N ATOM 941 CA ARG A 64 -19.839 11.768 -7.515 1.00 0.00 C ATOM 942 C ARG A 64 -20.137 11.214 -8.933 1.00 0.00 C ATOM 943 O ARG A 64 -19.290 11.310 -9.818 1.00 0.00 O ATOM 944 CB ARG A 64 -18.873 12.986 -7.577 1.00 0.00 C ATOM 945 CG ARG A 64 -18.710 13.727 -6.230 1.00 0.00 C ATOM 946 CD ARG A 64 -17.603 14.793 -6.266 1.00 0.00 C ATOM 947 NE ARG A 64 -16.255 14.192 -6.325 1.00 0.00 N ATOM 948 CZ ARG A 64 -15.129 14.856 -6.465 1.00 0.00 C ATOM 949 NH1 ARG A 64 -15.121 16.124 -6.732 1.00 0.00 N ATOM 950 NH2 ARG A 64 -14.004 14.229 -6.377 1.00 0.00 N ATOM 0 H ARG A 64 -18.344 10.370 -7.024 1.00 0.00 H new ATOM 0 HA ARG A 64 -20.780 12.100 -7.076 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -17.894 12.644 -7.913 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -19.239 13.689 -8.325 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -19.655 14.200 -5.964 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -18.485 13.003 -5.447 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -17.750 15.439 -7.132 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -17.680 15.425 -5.381 1.00 0.00 H new ATOM 0 HE ARG A 64 -16.193 13.177 -6.251 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -16.001 16.628 -6.838 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -14.235 16.618 -6.836 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -13.992 13.225 -6.200 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -13.127 14.738 -6.485 1.00 0.00 H new ATOM 964 N PRO A 65 -21.347 10.607 -9.169 1.00 0.00 N ATOM 965 CA PRO A 65 -21.660 9.898 -10.448 1.00 0.00 C ATOM 966 C PRO A 65 -21.773 10.838 -11.684 1.00 0.00 C ATOM 967 O PRO A 65 -21.518 10.414 -12.819 1.00 0.00 O ATOM 968 CB PRO A 65 -23.009 9.198 -10.138 1.00 0.00 C ATOM 969 CG PRO A 65 -23.642 10.055 -9.081 1.00 0.00 C ATOM 970 CD PRO A 65 -22.499 10.558 -8.223 1.00 0.00 C ATOM 0 HA PRO A 65 -20.860 9.214 -10.733 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -23.637 9.135 -11.027 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -22.855 8.179 -9.783 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -24.192 10.884 -9.526 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -24.355 9.482 -8.487 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -22.715 11.540 -7.803 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -22.302 9.889 -7.385 1.00 0.00 H new ATOM 978 N GLU A 66 -22.149 12.112 -11.448 1.00 0.00 N ATOM 979 CA GLU A 66 -22.355 13.112 -12.527 1.00 0.00 C ATOM 980 C GLU A 66 -21.015 13.531 -13.183 1.00 0.00 C ATOM 981 O GLU A 66 -20.949 13.778 -14.389 1.00 0.00 O ATOM 982 CB GLU A 66 -23.083 14.360 -11.963 1.00 0.00 C ATOM 983 CG GLU A 66 -24.400 14.043 -11.228 1.00 0.00 C ATOM 984 CD GLU A 66 -25.099 15.295 -10.679 1.00 0.00 C ATOM 985 OE1 GLU A 66 -24.610 15.872 -9.680 1.00 0.00 O ATOM 986 OE2 GLU A 66 -26.139 15.711 -11.242 1.00 0.00 O ATOM 0 H GLU A 66 -22.319 12.479 -10.512 1.00 0.00 H new ATOM 0 HA GLU A 66 -22.972 12.648 -13.297 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -22.413 14.879 -11.278 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -23.294 15.046 -12.783 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -25.075 13.527 -11.911 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -24.194 13.359 -10.405 1.00 0.00 H new ATOM 993 N PHE A 67 -19.946 13.589 -12.369 1.00 0.00 N ATOM 994 CA PHE A 67 -18.598 14.016 -12.820 1.00 0.00 C ATOM 995 C PHE A 67 -17.635 12.808 -12.911 1.00 0.00 C ATOM 996 O PHE A 67 -17.040 12.561 -13.969 1.00 0.00 O ATOM 997 CB PHE A 67 -18.047 15.103 -11.857 1.00 0.00 C ATOM 998 CG PHE A 67 -18.922 16.361 -11.802 1.00 0.00 C ATOM 999 CD1 PHE A 67 -18.731 17.412 -12.702 1.00 0.00 C ATOM 1000 CD2 PHE A 67 -19.952 16.478 -10.867 1.00 0.00 C ATOM 1001 CE1 PHE A 67 -19.542 18.531 -12.669 1.00 0.00 C ATOM 1002 CE2 PHE A 67 -20.759 17.601 -10.833 1.00 0.00 C ATOM 1003 CZ PHE A 67 -20.554 18.626 -11.734 1.00 0.00 C ATOM 0 H PHE A 67 -19.986 13.343 -11.380 1.00 0.00 H new ATOM 0 HA PHE A 67 -18.678 14.442 -13.820 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -17.963 14.683 -10.855 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -17.041 15.381 -12.171 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -17.939 17.350 -13.434 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -20.121 15.680 -10.160 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -19.384 19.332 -13.376 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -21.550 17.676 -10.101 1.00 0.00 H new ATOM 0 HZ PHE A 67 -21.185 19.502 -11.708 1.00 0.00 H new ATOM 1013 N ASN A 68 -17.490 12.088 -11.772 1.00 0.00 N ATOM 1014 CA ASN A 68 -16.719 10.824 -11.658 1.00 0.00 C ATOM 1015 C ASN A 68 -15.225 11.019 -12.029 1.00 0.00 C ATOM 1016 O ASN A 68 -14.823 10.815 -13.177 1.00 0.00 O ATOM 1017 CB ASN A 68 -17.403 9.694 -12.491 1.00 0.00 C ATOM 1018 CG ASN A 68 -16.721 8.330 -12.362 1.00 0.00 C ATOM 1019 OD1 ASN A 68 -15.867 7.967 -13.164 1.00 0.00 O ATOM 1020 ND2 ASN A 68 -17.080 7.572 -11.340 1.00 0.00 N ATOM 0 H ASN A 68 -17.914 12.374 -10.889 1.00 0.00 H new ATOM 0 HA ASN A 68 -16.726 10.513 -10.613 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -18.442 9.601 -12.175 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -17.414 9.986 -13.541 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -16.644 6.660 -11.203 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -17.793 7.899 -10.688 1.00 0.00 H new ATOM 1027 N PHE A 69 -14.418 11.462 -11.047 1.00 0.00 N ATOM 1028 CA PHE A 69 -12.979 11.750 -11.255 1.00 0.00 C ATOM 1029 C PHE A 69 -12.104 10.507 -10.929 1.00 0.00 C ATOM 1030 O PHE A 69 -12.051 10.074 -9.764 1.00 0.00 O ATOM 1031 CB PHE A 69 -12.540 12.958 -10.392 1.00 0.00 C ATOM 1032 CG PHE A 69 -13.266 14.257 -10.743 1.00 0.00 C ATOM 1033 CD1 PHE A 69 -12.997 14.929 -11.940 1.00 0.00 C ATOM 1034 CD2 PHE A 69 -14.213 14.810 -9.883 1.00 0.00 C ATOM 1035 CE1 PHE A 69 -13.651 16.108 -12.256 1.00 0.00 C ATOM 1036 CE2 PHE A 69 -14.864 15.986 -10.201 1.00 0.00 C ATOM 1037 CZ PHE A 69 -14.584 16.636 -11.385 1.00 0.00 C ATOM 0 H PHE A 69 -14.738 11.631 -10.093 1.00 0.00 H new ATOM 0 HA PHE A 69 -12.835 11.997 -12.307 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -12.715 12.726 -9.341 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -11.467 13.108 -10.511 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -12.269 14.523 -12.627 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -14.442 14.311 -8.953 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.431 16.615 -13.184 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -15.595 16.398 -9.520 1.00 0.00 H new ATOM 0 HZ PHE A 69 -15.093 17.556 -11.631 1.00 0.00 H new ATOM 1047 N PRO A 70 -11.408 9.901 -11.949 1.00 0.00 N ATOM 1048 CA PRO A 70 -10.518 8.733 -11.732 1.00 0.00 C ATOM 1049 C PRO A 70 -9.130 9.128 -11.140 1.00 0.00 C ATOM 1050 O PRO A 70 -8.142 9.291 -11.869 1.00 0.00 O ATOM 1051 CB PRO A 70 -10.406 8.122 -13.154 1.00 0.00 C ATOM 1052 CG PRO A 70 -10.519 9.306 -14.079 1.00 0.00 C ATOM 1053 CD PRO A 70 -11.454 10.293 -13.392 1.00 0.00 C ATOM 0 HA PRO A 70 -10.910 8.034 -10.993 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -9.458 7.601 -13.289 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -11.198 7.396 -13.338 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.542 9.755 -14.258 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -10.914 9.006 -15.049 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -11.122 11.321 -13.536 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -12.466 10.226 -13.791 1.00 0.00 H new ATOM 1061 N GLY A 71 -9.086 9.314 -9.806 1.00 0.00 N ATOM 1062 CA GLY A 71 -7.827 9.611 -9.085 1.00 0.00 C ATOM 1063 C GLY A 71 -7.309 8.425 -8.262 1.00 0.00 C ATOM 1064 O GLY A 71 -6.642 8.623 -7.241 1.00 0.00 O ATOM 0 H GLY A 71 -9.907 9.264 -9.203 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.064 9.906 -9.805 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.987 10.462 -8.423 1.00 0.00 H new ATOM 1068 N LEU A 72 -7.608 7.192 -8.751 1.00 0.00 N ATOM 1069 CA LEU A 72 -7.307 5.902 -8.069 1.00 0.00 C ATOM 1070 C LEU A 72 -8.028 5.820 -6.693 1.00 0.00 C ATOM 1071 O LEU A 72 -7.611 6.444 -5.710 1.00 0.00 O ATOM 1072 CB LEU A 72 -5.761 5.664 -7.953 1.00 0.00 C ATOM 1073 CG LEU A 72 -5.263 4.176 -7.770 1.00 0.00 C ATOM 1074 CD1 LEU A 72 -3.744 4.071 -8.022 1.00 0.00 C ATOM 1075 CD2 LEU A 72 -5.625 3.590 -6.375 1.00 0.00 C ATOM 0 H LEU A 72 -8.075 7.063 -9.649 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.699 5.091 -8.683 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.290 6.068 -8.849 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.393 6.248 -7.109 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.789 3.577 -8.514 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.424 3.037 -7.890 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.521 4.393 -9.039 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.213 4.708 -7.315 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.259 2.566 -6.304 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.163 4.195 -5.595 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.707 3.598 -6.247 1.00 0.00 H new ATOM 1087 N LYS A 73 -9.107 5.029 -6.634 1.00 0.00 N ATOM 1088 CA LYS A 73 -9.930 4.882 -5.417 1.00 0.00 C ATOM 1089 C LYS A 73 -9.806 3.449 -4.837 1.00 0.00 C ATOM 1090 O LYS A 73 -8.953 2.659 -5.269 1.00 0.00 O ATOM 1091 CB LYS A 73 -11.405 5.244 -5.758 1.00 0.00 C ATOM 1092 CG LYS A 73 -12.216 4.131 -6.472 1.00 0.00 C ATOM 1093 CD LYS A 73 -13.368 4.679 -7.338 1.00 0.00 C ATOM 1094 CE LYS A 73 -12.857 5.299 -8.649 1.00 0.00 C ATOM 1095 NZ LYS A 73 -12.237 4.273 -9.532 1.00 0.00 N ATOM 0 H LYS A 73 -9.437 4.473 -7.423 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.572 5.564 -4.646 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -11.919 5.509 -4.834 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -11.406 6.133 -6.389 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.544 3.547 -7.101 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -12.624 3.451 -5.724 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -14.066 3.873 -7.566 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.921 5.429 -6.773 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.684 5.779 -9.172 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.127 6.077 -8.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.042 4.690 -10.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -11.347 3.942 -9.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -12.889 3.470 -9.642 1.00 0.00 H new ATOM 1109 N ALA A 74 -10.643 3.142 -3.824 1.00 0.00 N ATOM 1110 CA ALA A 74 -10.718 1.804 -3.213 1.00 0.00 C ATOM 1111 C ALA A 74 -11.099 0.723 -4.255 1.00 0.00 C ATOM 1112 O ALA A 74 -12.192 0.759 -4.829 1.00 0.00 O ATOM 1113 CB ALA A 74 -11.724 1.821 -2.059 1.00 0.00 C ATOM 0 H ALA A 74 -11.285 3.817 -3.409 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.732 1.547 -2.827 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.778 0.830 -1.609 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.404 2.544 -1.308 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -12.707 2.101 -2.437 1.00 0.00 H new ATOM 1119 N GLY A 75 -10.179 -0.224 -4.493 1.00 0.00 N ATOM 1120 CA GLY A 75 -10.396 -1.305 -5.456 1.00 0.00 C ATOM 1121 C GLY A 75 -9.756 -1.062 -6.826 1.00 0.00 C ATOM 1122 O GLY A 75 -10.194 -1.641 -7.828 1.00 0.00 O ATOM 0 H GLY A 75 -9.273 -0.259 -4.026 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.999 -2.231 -5.041 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.468 -1.449 -5.589 1.00 0.00 H new ATOM 1126 N ASP A 76 -8.729 -0.191 -6.880 1.00 0.00 N ATOM 1127 CA ASP A 76 -7.870 -0.023 -8.075 1.00 0.00 C ATOM 1128 C ASP A 76 -6.424 -0.478 -7.760 1.00 0.00 C ATOM 1129 O ASP A 76 -5.633 0.276 -7.181 1.00 0.00 O ATOM 1130 CB ASP A 76 -7.878 1.448 -8.578 1.00 0.00 C ATOM 1131 CG ASP A 76 -9.241 1.894 -9.125 1.00 0.00 C ATOM 1132 OD1 ASP A 76 -9.625 1.428 -10.218 1.00 0.00 O ATOM 1133 OD2 ASP A 76 -9.919 2.728 -8.487 1.00 0.00 O ATOM 0 H ASP A 76 -8.470 0.415 -6.101 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.275 -0.648 -8.871 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -7.590 2.107 -7.759 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.126 1.562 -9.359 1.00 0.00 H new ATOM 1138 N ARG A 77 -6.097 -1.736 -8.111 1.00 0.00 N ATOM 1139 CA ARG A 77 -4.722 -2.261 -7.986 1.00 0.00 C ATOM 1140 C ARG A 77 -3.967 -2.038 -9.319 1.00 0.00 C ATOM 1141 O ARG A 77 -3.905 -2.934 -10.168 1.00 0.00 O ATOM 1142 CB ARG A 77 -4.786 -3.770 -7.632 1.00 0.00 C ATOM 1143 CG ARG A 77 -3.422 -4.445 -7.360 1.00 0.00 C ATOM 1144 CD ARG A 77 -3.566 -5.951 -7.100 1.00 0.00 C ATOM 1145 NE ARG A 77 -4.167 -6.652 -8.253 1.00 0.00 N ATOM 1146 CZ ARG A 77 -4.387 -7.946 -8.334 1.00 0.00 C ATOM 1147 NH1 ARG A 77 -4.133 -8.739 -7.340 1.00 0.00 N ATOM 1148 NH2 ARG A 77 -4.904 -8.428 -9.411 1.00 0.00 N ATOM 0 H ARG A 77 -6.766 -2.409 -8.484 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.187 -1.738 -7.193 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -5.415 -3.893 -6.751 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.277 -4.297 -8.450 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -2.763 -4.286 -8.213 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -2.949 -3.972 -6.499 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -2.586 -6.378 -6.885 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.184 -6.110 -6.216 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.435 -6.083 -9.056 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -3.754 -8.362 -6.471 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -4.312 -9.739 -7.427 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -5.137 -7.808 -10.187 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -5.080 -9.430 -9.488 1.00 0.00 H new ATOM 1162 N TRP A 78 -3.377 -0.841 -9.469 1.00 0.00 N ATOM 1163 CA TRP A 78 -2.729 -0.375 -10.736 1.00 0.00 C ATOM 1164 C TRP A 78 -1.900 0.885 -10.442 1.00 0.00 C ATOM 1165 O TRP A 78 -2.472 1.888 -10.015 1.00 0.00 O ATOM 1166 CB TRP A 78 -3.770 -0.001 -11.860 1.00 0.00 C ATOM 1167 CG TRP A 78 -4.448 -1.162 -12.558 1.00 0.00 C ATOM 1168 CD1 TRP A 78 -3.885 -2.018 -13.464 1.00 0.00 C ATOM 1169 CD2 TRP A 78 -5.814 -1.586 -12.408 1.00 0.00 C ATOM 1170 NE1 TRP A 78 -4.811 -2.942 -13.879 1.00 0.00 N ATOM 1171 CE2 TRP A 78 -6.002 -2.698 -13.245 1.00 0.00 C ATOM 1172 CE3 TRP A 78 -6.889 -1.132 -11.641 1.00 0.00 C ATOM 1173 CZ2 TRP A 78 -7.221 -3.360 -13.344 1.00 0.00 C ATOM 1174 CZ3 TRP A 78 -8.099 -1.791 -11.732 1.00 0.00 C ATOM 1175 CH2 TRP A 78 -8.259 -2.897 -12.581 1.00 0.00 C ATOM 0 H TRP A 78 -3.328 -0.154 -8.717 1.00 0.00 H new ATOM 0 HA TRP A 78 -2.116 -1.201 -11.096 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -4.541 0.629 -11.417 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -3.260 0.600 -12.613 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -2.861 -1.973 -13.803 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -4.641 -3.690 -14.551 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -6.776 -0.280 -10.988 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -7.344 -4.209 -14.000 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -8.936 -1.450 -11.140 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -9.218 -3.391 -12.633 1.00 0.00 H new ATOM 1186 N CYS A 79 -0.565 0.818 -10.688 1.00 0.00 N ATOM 1187 CA CYS A 79 0.387 1.970 -10.550 1.00 0.00 C ATOM 1188 C CYS A 79 0.174 2.788 -9.238 1.00 0.00 C ATOM 1189 O CYS A 79 0.371 4.010 -9.206 1.00 0.00 O ATOM 1190 CB CYS A 79 0.325 2.893 -11.799 1.00 0.00 C ATOM 1191 SG CYS A 79 -1.248 3.754 -12.046 1.00 0.00 S ATOM 0 H CYS A 79 -0.108 -0.042 -10.991 1.00 0.00 H new ATOM 0 HA CYS A 79 1.386 1.538 -10.482 1.00 0.00 H new ATOM 0 HB2 CYS A 79 1.119 3.636 -11.721 1.00 0.00 H new ATOM 0 HB3 CYS A 79 0.535 2.293 -12.685 1.00 0.00 H new ATOM 0 HG CYS A 79 -2.143 3.262 -11.241 1.00 0.00 H new ATOM 1197 N LEU A 80 -0.224 2.072 -8.163 1.00 0.00 N ATOM 1198 CA LEU A 80 -0.546 2.659 -6.852 1.00 0.00 C ATOM 1199 C LEU A 80 0.707 3.326 -6.247 1.00 0.00 C ATOM 1200 O LEU A 80 1.726 2.661 -6.030 1.00 0.00 O ATOM 1201 CB LEU A 80 -1.168 1.550 -5.915 1.00 0.00 C ATOM 1202 CG LEU A 80 -1.637 1.946 -4.457 1.00 0.00 C ATOM 1203 CD1 LEU A 80 -0.483 1.975 -3.424 1.00 0.00 C ATOM 1204 CD2 LEU A 80 -2.429 3.269 -4.467 1.00 0.00 C ATOM 0 H LEU A 80 -0.331 1.058 -8.186 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.294 3.444 -6.963 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.029 1.128 -6.433 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.432 0.752 -5.817 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.306 1.152 -4.126 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.877 2.254 -2.447 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.025 0.988 -3.363 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.266 2.704 -3.735 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.738 3.516 -3.451 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.799 4.067 -4.858 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.311 3.160 -5.098 1.00 0.00 H new ATOM 1216 N CYS A 81 0.619 4.662 -6.033 1.00 0.00 N ATOM 1217 CA CYS A 81 1.683 5.459 -5.382 1.00 0.00 C ATOM 1218 C CYS A 81 2.069 4.841 -4.031 1.00 0.00 C ATOM 1219 O CYS A 81 1.216 4.734 -3.144 1.00 0.00 O ATOM 1220 CB CYS A 81 1.216 6.916 -5.171 1.00 0.00 C ATOM 1221 SG CYS A 81 2.395 7.949 -4.273 1.00 0.00 S ATOM 0 H CYS A 81 -0.193 5.215 -6.308 1.00 0.00 H new ATOM 0 HA CYS A 81 2.555 5.456 -6.036 1.00 0.00 H new ATOM 0 HB2 CYS A 81 1.022 7.368 -6.144 1.00 0.00 H new ATOM 0 HB3 CYS A 81 0.271 6.908 -4.629 1.00 0.00 H new ATOM 0 HG CYS A 81 1.913 9.150 -4.149 1.00 0.00 H new ATOM 1227 N ALA A 82 3.354 4.438 -3.897 1.00 0.00 N ATOM 1228 CA ALA A 82 3.874 3.714 -2.709 1.00 0.00 C ATOM 1229 C ALA A 82 3.536 4.426 -1.375 1.00 0.00 C ATOM 1230 O ALA A 82 3.308 3.763 -0.373 1.00 0.00 O ATOM 1231 CB ALA A 82 5.395 3.496 -2.837 1.00 0.00 C ATOM 0 H ALA A 82 4.063 4.605 -4.611 1.00 0.00 H new ATOM 0 HA ALA A 82 3.372 2.747 -2.683 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.762 2.964 -1.959 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.604 2.908 -3.731 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.896 4.461 -2.912 1.00 0.00 H new ATOM 1237 N SER A 83 3.457 5.776 -1.402 1.00 0.00 N ATOM 1238 CA SER A 83 3.077 6.600 -0.223 1.00 0.00 C ATOM 1239 C SER A 83 1.692 6.226 0.365 1.00 0.00 C ATOM 1240 O SER A 83 1.510 6.265 1.575 1.00 0.00 O ATOM 1241 CB SER A 83 3.083 8.102 -0.583 1.00 0.00 C ATOM 1242 OG SER A 83 4.388 8.553 -0.916 1.00 0.00 O ATOM 0 H SER A 83 3.654 6.327 -2.237 1.00 0.00 H new ATOM 0 HA SER A 83 3.826 6.390 0.541 1.00 0.00 H new ATOM 0 HB2 SER A 83 2.411 8.278 -1.423 1.00 0.00 H new ATOM 0 HB3 SER A 83 2.701 8.680 0.258 1.00 0.00 H new ATOM 0 HG SER A 83 4.357 9.506 -1.140 1.00 0.00 H new ATOM 1248 N ARG A 84 0.727 5.879 -0.508 1.00 0.00 N ATOM 1249 CA ARG A 84 -0.659 5.524 -0.093 1.00 0.00 C ATOM 1250 C ARG A 84 -0.680 4.297 0.867 1.00 0.00 C ATOM 1251 O ARG A 84 -1.247 4.363 1.964 1.00 0.00 O ATOM 1252 CB ARG A 84 -1.526 5.232 -1.348 1.00 0.00 C ATOM 1253 CG ARG A 84 -3.007 4.882 -1.053 1.00 0.00 C ATOM 1254 CD ARG A 84 -3.866 6.096 -0.659 1.00 0.00 C ATOM 1255 NE ARG A 84 -4.081 7.001 -1.803 1.00 0.00 N ATOM 1256 CZ ARG A 84 -4.031 8.313 -1.764 1.00 0.00 C ATOM 1257 NH1 ARG A 84 -3.737 8.947 -0.671 1.00 0.00 N ATOM 1258 NH2 ARG A 84 -4.260 8.987 -2.839 1.00 0.00 N ATOM 0 H ARG A 84 0.877 5.835 -1.516 1.00 0.00 H new ATOM 0 HA ARG A 84 -1.073 6.374 0.450 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -1.497 6.104 -2.002 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.076 4.406 -1.898 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -3.442 4.412 -1.935 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.044 4.147 -0.249 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -4.829 5.754 -0.279 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.379 6.640 0.150 1.00 0.00 H new ATOM 0 HE ARG A 84 -4.287 6.570 -2.704 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -3.538 8.426 0.183 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -3.704 9.966 -0.666 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -4.478 8.501 -3.709 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.224 10.006 -2.819 1.00 0.00 H new ATOM 1272 N TRP A 85 -0.044 3.191 0.432 1.00 0.00 N ATOM 1273 CA TRP A 85 0.039 1.931 1.212 1.00 0.00 C ATOM 1274 C TRP A 85 1.066 2.062 2.378 1.00 0.00 C ATOM 1275 O TRP A 85 0.748 1.767 3.538 1.00 0.00 O ATOM 1276 CB TRP A 85 0.351 0.722 0.242 1.00 0.00 C ATOM 1277 CG TRP A 85 1.237 -0.360 0.824 1.00 0.00 C ATOM 1278 CD1 TRP A 85 2.511 -0.639 0.454 1.00 0.00 C ATOM 1279 CD2 TRP A 85 0.936 -1.263 1.902 1.00 0.00 C ATOM 1280 NE1 TRP A 85 3.034 -1.618 1.252 1.00 0.00 N ATOM 1281 CE2 TRP A 85 2.086 -2.029 2.135 1.00 0.00 C ATOM 1282 CE3 TRP A 85 -0.181 -1.493 2.689 1.00 0.00 C ATOM 1283 CZ2 TRP A 85 2.153 -2.993 3.130 1.00 0.00 C ATOM 1284 CZ3 TRP A 85 -0.118 -2.458 3.671 1.00 0.00 C ATOM 1285 CH2 TRP A 85 1.041 -3.201 3.884 1.00 0.00 C ATOM 0 H TRP A 85 0.429 3.142 -0.471 1.00 0.00 H new ATOM 0 HA TRP A 85 -0.923 1.729 1.683 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -0.592 0.271 -0.065 1.00 0.00 H new ATOM 0 HB3 TRP A 85 0.825 1.112 -0.658 1.00 0.00 H new ATOM 0 HD1 TRP A 85 3.038 -0.156 -0.356 1.00 0.00 H new ATOM 0 HE1 TRP A 85 3.985 -1.982 1.194 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -1.087 -0.925 2.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 3.057 -3.559 3.300 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -0.985 -2.642 4.288 1.00 0.00 H new ATOM 0 HH2 TRP A 85 1.056 -3.953 4.659 1.00 0.00 H new ATOM 1296 N GLN A 86 2.288 2.512 2.038 1.00 0.00 N ATOM 1297 CA GLN A 86 3.437 2.553 2.974 1.00 0.00 C ATOM 1298 C GLN A 86 3.188 3.463 4.189 1.00 0.00 C ATOM 1299 O GLN A 86 3.525 3.095 5.302 1.00 0.00 O ATOM 1300 CB GLN A 86 4.733 2.988 2.236 1.00 0.00 C ATOM 1301 CG GLN A 86 6.014 3.085 3.116 1.00 0.00 C ATOM 1302 CD GLN A 86 6.336 1.826 3.940 1.00 0.00 C ATOM 1303 OE1 GLN A 86 6.017 0.710 3.572 1.00 0.00 O ATOM 1304 NE2 GLN A 86 6.970 2.009 5.075 1.00 0.00 N ATOM 0 H GLN A 86 2.511 2.859 1.105 1.00 0.00 H new ATOM 0 HA GLN A 86 3.560 1.539 3.354 1.00 0.00 H new ATOM 0 HB2 GLN A 86 4.923 2.282 1.428 1.00 0.00 H new ATOM 0 HB3 GLN A 86 4.557 3.960 1.775 1.00 0.00 H new ATOM 0 HG2 GLN A 86 6.864 3.305 2.470 1.00 0.00 H new ATOM 0 HG3 GLN A 86 5.905 3.929 3.798 1.00 0.00 H new ATOM 0 HE21 GLN A 86 7.230 2.951 5.368 1.00 0.00 H new ATOM 0 HE22 GLN A 86 7.203 1.209 5.664 1.00 0.00 H new ATOM 1313 N GLU A 87 2.594 4.641 3.972 1.00 0.00 N ATOM 1314 CA GLU A 87 2.343 5.608 5.070 1.00 0.00 C ATOM 1315 C GLU A 87 1.248 5.099 6.038 1.00 0.00 C ATOM 1316 O GLU A 87 1.278 5.406 7.234 1.00 0.00 O ATOM 1317 CB GLU A 87 1.974 6.987 4.488 1.00 0.00 C ATOM 1318 CG GLU A 87 1.892 8.128 5.508 1.00 0.00 C ATOM 1319 CD GLU A 87 1.539 9.468 4.850 1.00 0.00 C ATOM 1320 OE1 GLU A 87 0.342 9.732 4.641 1.00 0.00 O ATOM 1321 OE2 GLU A 87 2.456 10.257 4.532 1.00 0.00 O ATOM 0 H GLU A 87 2.276 4.956 3.055 1.00 0.00 H new ATOM 0 HA GLU A 87 3.260 5.709 5.650 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.711 7.252 3.730 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.012 6.904 3.982 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.142 7.886 6.262 1.00 0.00 H new ATOM 0 HG3 GLU A 87 2.847 8.220 6.026 1.00 0.00 H new ATOM 1328 N ALA A 88 0.294 4.310 5.502 1.00 0.00 N ATOM 1329 CA ALA A 88 -0.697 3.572 6.323 1.00 0.00 C ATOM 1330 C ALA A 88 0.010 2.532 7.237 1.00 0.00 C ATOM 1331 O ALA A 88 -0.416 2.294 8.372 1.00 0.00 O ATOM 1332 CB ALA A 88 -1.733 2.885 5.417 1.00 0.00 C ATOM 0 H ALA A 88 0.186 4.165 4.498 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.216 4.286 6.963 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.454 2.347 6.032 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.252 3.637 4.823 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -1.228 2.184 4.753 1.00 0.00 H new ATOM 1338 N PHE A 89 1.103 1.938 6.716 1.00 0.00 N ATOM 1339 CA PHE A 89 1.957 0.986 7.455 1.00 0.00 C ATOM 1340 C PHE A 89 2.811 1.707 8.532 1.00 0.00 C ATOM 1341 O PHE A 89 2.919 1.236 9.666 1.00 0.00 O ATOM 1342 CB PHE A 89 2.853 0.206 6.447 1.00 0.00 C ATOM 1343 CG PHE A 89 3.724 -0.879 7.080 1.00 0.00 C ATOM 1344 CD1 PHE A 89 3.183 -2.121 7.410 1.00 0.00 C ATOM 1345 CD2 PHE A 89 5.075 -0.657 7.360 1.00 0.00 C ATOM 1346 CE1 PHE A 89 3.959 -3.095 7.998 1.00 0.00 C ATOM 1347 CE2 PHE A 89 5.843 -1.637 7.953 1.00 0.00 C ATOM 1348 CZ PHE A 89 5.288 -2.855 8.268 1.00 0.00 C ATOM 0 H PHE A 89 1.420 2.107 5.762 1.00 0.00 H new ATOM 0 HA PHE A 89 1.319 0.277 7.983 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.214 -0.253 5.693 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.498 0.916 5.929 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.142 -2.322 7.202 1.00 0.00 H new ATOM 0 HD2 PHE A 89 5.523 0.293 7.109 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.524 -4.051 8.248 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.884 -1.447 8.171 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.894 -3.623 8.727 1.00 0.00 H new ATOM 1358 N GLU A 90 3.390 2.863 8.154 1.00 0.00 N ATOM 1359 CA GLU A 90 4.282 3.668 9.030 1.00 0.00 C ATOM 1360 C GLU A 90 3.512 4.257 10.227 1.00 0.00 C ATOM 1361 O GLU A 90 4.031 4.314 11.342 1.00 0.00 O ATOM 1362 CB GLU A 90 4.947 4.808 8.207 1.00 0.00 C ATOM 1363 CG GLU A 90 5.843 4.307 7.063 1.00 0.00 C ATOM 1364 CD GLU A 90 6.409 5.427 6.178 1.00 0.00 C ATOM 1365 OE1 GLU A 90 5.625 6.080 5.463 1.00 0.00 O ATOM 1366 OE2 GLU A 90 7.637 5.657 6.188 1.00 0.00 O ATOM 0 H GLU A 90 3.255 3.272 7.229 1.00 0.00 H new ATOM 0 HA GLU A 90 5.055 3.008 9.422 1.00 0.00 H new ATOM 0 HB2 GLU A 90 4.167 5.446 7.792 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.543 5.428 8.878 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.671 3.738 7.486 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.270 3.620 6.440 1.00 0.00 H new ATOM 1373 N ALA A 91 2.263 4.684 9.970 1.00 0.00 N ATOM 1374 CA ALA A 91 1.354 5.196 11.022 1.00 0.00 C ATOM 1375 C ALA A 91 0.857 4.058 11.958 1.00 0.00 C ATOM 1376 O ALA A 91 0.408 4.325 13.078 1.00 0.00 O ATOM 1377 CB ALA A 91 0.178 5.950 10.379 1.00 0.00 C ATOM 0 H ALA A 91 1.853 4.686 9.036 1.00 0.00 H new ATOM 0 HA ALA A 91 1.913 5.893 11.647 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -0.485 6.323 11.159 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.559 6.788 9.795 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.374 5.274 9.726 1.00 0.00 H new ATOM 1383 N GLY A 92 0.934 2.790 11.480 1.00 0.00 N ATOM 1384 CA GLY A 92 0.691 1.604 12.328 1.00 0.00 C ATOM 1385 C GLY A 92 -0.416 0.667 11.836 1.00 0.00 C ATOM 1386 O GLY A 92 -0.451 -0.505 12.231 1.00 0.00 O ATOM 0 H GLY A 92 1.163 2.567 10.511 1.00 0.00 H new ATOM 0 HA2 GLY A 92 1.618 1.036 12.405 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.439 1.941 13.333 1.00 0.00 H new ATOM 1390 N MET A 93 -1.330 1.170 10.986 1.00 0.00 N ATOM 1391 CA MET A 93 -2.547 0.417 10.580 1.00 0.00 C ATOM 1392 C MET A 93 -2.243 -0.600 9.435 1.00 0.00 C ATOM 1393 O MET A 93 -2.073 -1.790 9.712 1.00 0.00 O ATOM 1394 CB MET A 93 -3.689 1.393 10.179 1.00 0.00 C ATOM 1395 CG MET A 93 -3.951 2.550 11.161 1.00 0.00 C ATOM 1396 SD MET A 93 -2.722 3.865 11.013 1.00 0.00 S ATOM 1397 CE MET A 93 -2.942 4.357 9.296 1.00 0.00 C ATOM 0 H MET A 93 -1.255 2.095 10.563 1.00 0.00 H new ATOM 0 HA MET A 93 -2.881 -0.162 11.441 1.00 0.00 H new ATOM 0 HB2 MET A 93 -3.455 1.816 9.202 1.00 0.00 H new ATOM 0 HB3 MET A 93 -4.609 0.820 10.067 1.00 0.00 H new ATOM 0 HG2 MET A 93 -4.944 2.961 10.978 1.00 0.00 H new ATOM 0 HG3 MET A 93 -3.948 2.166 12.181 1.00 0.00 H new ATOM 0 HE1 MET A 93 -2.518 5.350 9.145 1.00 0.00 H new ATOM 0 HE2 MET A 93 -2.436 3.644 8.645 1.00 0.00 H new ATOM 0 HE3 MET A 93 -4.005 4.376 9.056 1.00 0.00 H new ATOM 1407 N ALA A 94 -2.169 -0.100 8.167 1.00 0.00 N ATOM 1408 CA ALA A 94 -1.862 -0.906 6.941 1.00 0.00 C ATOM 1409 C ALA A 94 -2.954 -1.965 6.573 1.00 0.00 C ATOM 1410 O ALA A 94 -3.303 -2.806 7.405 1.00 0.00 O ATOM 1411 CB ALA A 94 -0.495 -1.585 7.060 1.00 0.00 C ATOM 0 H ALA A 94 -2.323 0.887 7.962 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.850 -0.185 6.124 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.296 -2.163 6.158 1.00 0.00 H new ATOM 0 HB2 ALA A 94 0.278 -0.827 7.183 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.493 -2.249 7.924 1.00 0.00 H new ATOM 1417 N PRO A 95 -3.516 -1.936 5.316 1.00 0.00 N ATOM 1418 CA PRO A 95 -4.450 -2.992 4.818 1.00 0.00 C ATOM 1419 C PRO A 95 -3.714 -4.305 4.383 1.00 0.00 C ATOM 1420 O PRO A 95 -2.476 -4.359 4.384 1.00 0.00 O ATOM 1421 CB PRO A 95 -5.135 -2.282 3.614 1.00 0.00 C ATOM 1422 CG PRO A 95 -4.066 -1.390 3.071 1.00 0.00 C ATOM 1423 CD PRO A 95 -3.328 -0.863 4.292 1.00 0.00 C ATOM 0 HA PRO A 95 -5.146 -3.337 5.582 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -5.475 -2.999 2.867 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -6.009 -1.712 3.930 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -3.394 -1.938 2.411 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -4.493 -0.575 2.487 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.272 -0.694 4.079 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -3.741 0.088 4.629 1.00 0.00 H new ATOM 1431 N PRO A 96 -4.464 -5.411 4.062 1.00 0.00 N ATOM 1432 CA PRO A 96 -3.866 -6.613 3.421 1.00 0.00 C ATOM 1433 C PRO A 96 -3.445 -6.348 1.937 1.00 0.00 C ATOM 1434 O PRO A 96 -4.293 -6.186 1.047 1.00 0.00 O ATOM 1435 CB PRO A 96 -4.996 -7.672 3.536 1.00 0.00 C ATOM 1436 CG PRO A 96 -6.268 -6.875 3.606 1.00 0.00 C ATOM 1437 CD PRO A 96 -5.917 -5.608 4.356 1.00 0.00 C ATOM 0 HA PRO A 96 -2.939 -6.931 3.898 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.997 -8.343 2.677 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -4.868 -8.291 4.424 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -6.643 -6.648 2.608 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -7.051 -7.431 4.122 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.513 -4.762 4.013 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -6.098 -5.713 5.426 1.00 0.00 H new ATOM 1445 N VAL A 97 -2.120 -6.275 1.695 1.00 0.00 N ATOM 1446 CA VAL A 97 -1.545 -6.069 0.349 1.00 0.00 C ATOM 1447 C VAL A 97 -1.136 -7.423 -0.283 1.00 0.00 C ATOM 1448 O VAL A 97 -0.825 -8.393 0.427 1.00 0.00 O ATOM 1449 CB VAL A 97 -0.304 -5.090 0.408 1.00 0.00 C ATOM 1450 CG1 VAL A 97 0.837 -5.681 1.268 1.00 0.00 C ATOM 1451 CG2 VAL A 97 0.206 -4.695 -1.009 1.00 0.00 C ATOM 0 H VAL A 97 -1.417 -6.357 2.429 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.310 -5.611 -0.278 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.648 -4.174 0.888 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.675 -4.984 1.289 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.478 -5.847 2.284 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.163 -6.628 0.839 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.058 -4.022 -0.914 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.510 -5.592 -1.549 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.592 -4.194 -1.557 1.00 0.00 H new ATOM 1461 N VAL A 98 -1.175 -7.489 -1.621 1.00 0.00 N ATOM 1462 CA VAL A 98 -0.682 -8.656 -2.374 1.00 0.00 C ATOM 1463 C VAL A 98 0.866 -8.688 -2.429 1.00 0.00 C ATOM 1464 O VAL A 98 1.544 -7.686 -2.170 1.00 0.00 O ATOM 1465 CB VAL A 98 -1.240 -8.692 -3.849 1.00 0.00 C ATOM 1466 CG1 VAL A 98 -2.781 -8.660 -3.878 1.00 0.00 C ATOM 1467 CG2 VAL A 98 -0.646 -7.561 -4.718 1.00 0.00 C ATOM 0 H VAL A 98 -1.545 -6.743 -2.210 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.046 -9.532 -1.836 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.920 -9.640 -4.282 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.126 -8.686 -4.912 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.173 -9.525 -3.343 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.135 -7.746 -3.400 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.057 -7.623 -5.726 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.900 -6.595 -4.281 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.438 -7.666 -4.761 1.00 0.00 H new ATOM 1477 N LEU A 99 1.402 -9.862 -2.764 1.00 0.00 N ATOM 1478 CA LEU A 99 2.831 -10.048 -3.101 1.00 0.00 C ATOM 1479 C LEU A 99 2.986 -10.568 -4.548 1.00 0.00 C ATOM 1480 O LEU A 99 4.091 -10.610 -5.092 1.00 0.00 O ATOM 1481 CB LEU A 99 3.469 -11.042 -2.098 1.00 0.00 C ATOM 1482 CG LEU A 99 3.494 -10.562 -0.617 1.00 0.00 C ATOM 1483 CD1 LEU A 99 4.028 -11.659 0.318 1.00 0.00 C ATOM 1484 CD2 LEU A 99 4.305 -9.261 -0.483 1.00 0.00 C ATOM 0 H LEU A 99 0.859 -10.724 -2.812 1.00 0.00 H new ATOM 0 HA LEU A 99 3.342 -9.088 -3.032 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.924 -11.985 -2.149 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.492 -11.247 -2.414 1.00 0.00 H new ATOM 0 HG LEU A 99 2.469 -10.351 -0.312 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.033 -11.292 1.344 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.388 -12.538 0.250 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.043 -11.926 0.024 1.00 0.00 H new ATOM 0 HD21 LEU A 99 4.311 -8.942 0.559 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.329 -9.434 -0.815 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.851 -8.484 -1.098 1.00 0.00 H new ATOM 1496 N GLN A 100 1.851 -10.942 -5.160 1.00 0.00 N ATOM 1497 CA GLN A 100 1.806 -11.624 -6.469 1.00 0.00 C ATOM 1498 C GLN A 100 1.798 -10.588 -7.614 1.00 0.00 C ATOM 1499 O GLN A 100 2.557 -10.701 -8.582 1.00 0.00 O ATOM 1500 CB GLN A 100 0.546 -12.551 -6.551 1.00 0.00 C ATOM 1501 CG GLN A 100 0.323 -13.472 -5.314 1.00 0.00 C ATOM 1502 CD GLN A 100 -0.340 -12.770 -4.113 1.00 0.00 C ATOM 1503 OE1 GLN A 100 -1.190 -11.902 -4.283 1.00 0.00 O ATOM 1504 NE2 GLN A 100 0.111 -13.050 -2.909 1.00 0.00 N ATOM 0 H GLN A 100 0.928 -10.779 -4.758 1.00 0.00 H new ATOM 0 HA GLN A 100 2.697 -12.243 -6.575 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.337 -11.927 -6.684 1.00 0.00 H new ATOM 0 HB3 GLN A 100 0.631 -13.176 -7.440 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -0.296 -14.318 -5.612 1.00 0.00 H new ATOM 0 HG3 GLN A 100 1.285 -13.876 -4.998 1.00 0.00 H new ATOM 0 HE21 GLN A 100 0.818 -13.775 -2.785 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -0.246 -12.542 -2.100 1.00 0.00 H new ATOM 1513 N SER A 101 0.927 -9.576 -7.475 1.00 0.00 N ATOM 1514 CA SER A 101 0.788 -8.479 -8.466 1.00 0.00 C ATOM 1515 C SER A 101 1.803 -7.338 -8.213 1.00 0.00 C ATOM 1516 O SER A 101 2.234 -6.679 -9.161 1.00 0.00 O ATOM 1517 CB SER A 101 -0.659 -7.931 -8.455 1.00 0.00 C ATOM 1518 OG SER A 101 -0.838 -6.838 -9.353 1.00 0.00 O ATOM 0 H SER A 101 0.297 -9.488 -6.677 1.00 0.00 H new ATOM 0 HA SER A 101 1.006 -8.893 -9.450 1.00 0.00 H new ATOM 0 HB2 SER A 101 -1.349 -8.732 -8.721 1.00 0.00 H new ATOM 0 HB3 SER A 101 -0.915 -7.612 -7.445 1.00 0.00 H new ATOM 0 HG SER A 101 -1.767 -6.529 -9.311 1.00 0.00 H new ATOM 1524 N THR A 102 2.155 -7.092 -6.929 1.00 0.00 N ATOM 1525 CA THR A 102 3.178 -6.068 -6.555 1.00 0.00 C ATOM 1526 C THR A 102 4.561 -6.377 -7.198 1.00 0.00 C ATOM 1527 O THR A 102 5.191 -7.393 -6.873 1.00 0.00 O ATOM 1528 CB THR A 102 3.349 -5.960 -4.997 1.00 0.00 C ATOM 1529 OG1 THR A 102 2.066 -5.832 -4.369 1.00 0.00 O ATOM 1530 CG2 THR A 102 4.217 -4.752 -4.594 1.00 0.00 C ATOM 0 H THR A 102 1.751 -7.583 -6.132 1.00 0.00 H new ATOM 0 HA THR A 102 2.812 -5.116 -6.939 1.00 0.00 H new ATOM 0 HB THR A 102 3.848 -6.871 -4.666 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.992 -6.483 -3.640 1.00 0.00 H new ATOM 0 HG21 THR A 102 4.309 -4.716 -3.508 1.00 0.00 H new ATOM 0 HG22 THR A 102 5.207 -4.851 -5.039 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.750 -3.834 -4.949 1.00 0.00 H new ATOM 1538 N GLU A 103 5.016 -5.492 -8.109 1.00 0.00 N ATOM 1539 CA GLU A 103 6.248 -5.699 -8.909 1.00 0.00 C ATOM 1540 C GLU A 103 7.542 -5.377 -8.117 1.00 0.00 C ATOM 1541 O GLU A 103 7.504 -4.762 -7.048 1.00 0.00 O ATOM 1542 CB GLU A 103 6.206 -4.862 -10.222 1.00 0.00 C ATOM 1543 CG GLU A 103 4.972 -5.110 -11.145 1.00 0.00 C ATOM 1544 CD GLU A 103 3.824 -4.079 -10.978 1.00 0.00 C ATOM 1545 OE1 GLU A 103 3.448 -3.768 -9.837 1.00 0.00 O ATOM 1546 OE2 GLU A 103 3.303 -3.567 -12.001 1.00 0.00 O ATOM 0 H GLU A 103 4.542 -4.612 -8.313 1.00 0.00 H new ATOM 0 HA GLU A 103 6.276 -6.760 -9.157 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.232 -3.805 -9.958 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.111 -5.070 -10.793 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.303 -5.100 -12.183 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.579 -6.107 -10.945 1.00 0.00 H new ATOM 1553 N LYS A 104 8.690 -5.778 -8.700 1.00 0.00 N ATOM 1554 CA LYS A 104 10.028 -5.684 -8.055 1.00 0.00 C ATOM 1555 C LYS A 104 10.492 -4.208 -7.878 1.00 0.00 C ATOM 1556 O LYS A 104 11.277 -3.910 -6.975 1.00 0.00 O ATOM 1557 CB LYS A 104 11.050 -6.528 -8.890 1.00 0.00 C ATOM 1558 CG LYS A 104 12.337 -7.014 -8.154 1.00 0.00 C ATOM 1559 CD LYS A 104 13.440 -5.933 -8.004 1.00 0.00 C ATOM 1560 CE LYS A 104 14.713 -6.478 -7.341 1.00 0.00 C ATOM 1561 NZ LYS A 104 15.329 -7.570 -8.140 1.00 0.00 N ATOM 0 H LYS A 104 8.722 -6.179 -9.637 1.00 0.00 H new ATOM 0 HA LYS A 104 9.967 -6.093 -7.046 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.530 -7.404 -9.276 1.00 0.00 H new ATOM 0 HB3 LYS A 104 11.356 -5.934 -9.751 1.00 0.00 H new ATOM 0 HG2 LYS A 104 12.060 -7.372 -7.163 1.00 0.00 H new ATOM 0 HG3 LYS A 104 12.751 -7.864 -8.696 1.00 0.00 H new ATOM 0 HD2 LYS A 104 13.689 -5.534 -8.987 1.00 0.00 H new ATOM 0 HD3 LYS A 104 13.053 -5.104 -7.412 1.00 0.00 H new ATOM 0 HE2 LYS A 104 15.433 -5.669 -7.216 1.00 0.00 H new ATOM 0 HE3 LYS A 104 14.473 -6.848 -6.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 16.363 -7.457 -8.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 15.082 -8.489 -7.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 14.973 -7.529 -9.116 1.00 0.00 H new ATOM 1575 N SER A 105 9.981 -3.288 -8.722 1.00 0.00 N ATOM 1576 CA SER A 105 10.311 -1.835 -8.626 1.00 0.00 C ATOM 1577 C SER A 105 9.845 -1.234 -7.286 1.00 0.00 C ATOM 1578 O SER A 105 10.498 -0.335 -6.733 1.00 0.00 O ATOM 1579 CB SER A 105 9.684 -1.058 -9.799 1.00 0.00 C ATOM 1580 OG SER A 105 9.934 0.344 -9.735 1.00 0.00 O ATOM 0 H SER A 105 9.338 -3.517 -9.480 1.00 0.00 H new ATOM 0 HA SER A 105 11.396 -1.743 -8.677 1.00 0.00 H new ATOM 0 HB2 SER A 105 10.076 -1.449 -10.738 1.00 0.00 H new ATOM 0 HB3 SER A 105 8.608 -1.230 -9.807 1.00 0.00 H new ATOM 0 HG SER A 105 10.854 0.499 -9.435 1.00 0.00 H new ATOM 1586 N ALA A 106 8.722 -1.763 -6.768 1.00 0.00 N ATOM 1587 CA ALA A 106 8.183 -1.403 -5.442 1.00 0.00 C ATOM 1588 C ALA A 106 9.201 -1.673 -4.308 1.00 0.00 C ATOM 1589 O ALA A 106 9.294 -0.911 -3.360 1.00 0.00 O ATOM 1590 CB ALA A 106 6.883 -2.175 -5.183 1.00 0.00 C ATOM 0 H ALA A 106 8.159 -2.457 -7.260 1.00 0.00 H new ATOM 0 HA ALA A 106 7.979 -0.332 -5.446 1.00 0.00 H new ATOM 0 HB1 ALA A 106 6.489 -1.906 -4.203 1.00 0.00 H new ATOM 0 HB2 ALA A 106 6.151 -1.923 -5.950 1.00 0.00 H new ATOM 0 HB3 ALA A 106 7.084 -3.246 -5.212 1.00 0.00 H new ATOM 1596 N LEU A 107 9.996 -2.735 -4.452 1.00 0.00 N ATOM 1597 CA LEU A 107 10.961 -3.198 -3.416 1.00 0.00 C ATOM 1598 C LEU A 107 12.102 -2.176 -3.133 1.00 0.00 C ATOM 1599 O LEU A 107 12.859 -2.340 -2.173 1.00 0.00 O ATOM 1600 CB LEU A 107 11.546 -4.587 -3.816 1.00 0.00 C ATOM 1601 CG LEU A 107 10.628 -5.840 -3.597 1.00 0.00 C ATOM 1602 CD1 LEU A 107 9.220 -5.693 -4.228 1.00 0.00 C ATOM 1603 CD2 LEU A 107 11.334 -7.127 -4.091 1.00 0.00 C ATOM 0 H LEU A 107 9.999 -3.312 -5.293 1.00 0.00 H new ATOM 0 HA LEU A 107 10.404 -3.290 -2.483 1.00 0.00 H new ATOM 0 HB2 LEU A 107 11.819 -4.548 -4.871 1.00 0.00 H new ATOM 0 HB3 LEU A 107 12.467 -4.740 -3.254 1.00 0.00 H new ATOM 0 HG LEU A 107 10.463 -5.918 -2.522 1.00 0.00 H new ATOM 0 HD11 LEU A 107 8.640 -6.596 -4.038 1.00 0.00 H new ATOM 0 HD12 LEU A 107 8.712 -4.835 -3.787 1.00 0.00 H new ATOM 0 HD13 LEU A 107 9.317 -5.544 -5.303 1.00 0.00 H new ATOM 0 HD21 LEU A 107 10.681 -7.985 -3.930 1.00 0.00 H new ATOM 0 HD22 LEU A 107 11.557 -7.035 -5.154 1.00 0.00 H new ATOM 0 HD23 LEU A 107 12.262 -7.269 -3.537 1.00 0.00 H new ATOM 1615 N ARG A 108 12.213 -1.136 -3.968 1.00 0.00 N ATOM 1616 CA ARG A 108 13.153 -0.014 -3.754 1.00 0.00 C ATOM 1617 C ARG A 108 12.478 1.175 -3.033 1.00 0.00 C ATOM 1618 O ARG A 108 13.136 1.921 -2.301 1.00 0.00 O ATOM 1619 CB ARG A 108 13.740 0.426 -5.111 1.00 0.00 C ATOM 1620 CG ARG A 108 14.634 -0.647 -5.768 1.00 0.00 C ATOM 1621 CD ARG A 108 15.242 -0.175 -7.097 1.00 0.00 C ATOM 1622 NE ARG A 108 15.879 1.141 -6.987 1.00 0.00 N ATOM 1623 CZ ARG A 108 17.063 1.385 -6.480 1.00 0.00 C ATOM 1624 NH1 ARG A 108 17.840 0.436 -6.059 1.00 0.00 N ATOM 1625 NH2 ARG A 108 17.456 2.601 -6.398 1.00 0.00 N ATOM 0 H ARG A 108 11.654 -1.043 -4.816 1.00 0.00 H new ATOM 0 HA ARG A 108 13.958 -0.358 -3.105 1.00 0.00 H new ATOM 0 HB2 ARG A 108 12.923 0.673 -5.789 1.00 0.00 H new ATOM 0 HB3 ARG A 108 14.322 1.336 -4.969 1.00 0.00 H new ATOM 0 HG2 ARG A 108 15.436 -0.917 -5.081 1.00 0.00 H new ATOM 0 HG3 ARG A 108 14.046 -1.548 -5.941 1.00 0.00 H new ATOM 0 HD2 ARG A 108 15.978 -0.904 -7.435 1.00 0.00 H new ATOM 0 HD3 ARG A 108 14.461 -0.135 -7.856 1.00 0.00 H new ATOM 0 HE ARG A 108 15.352 1.941 -7.337 1.00 0.00 H new ATOM 0 HH11 ARG A 108 17.536 -0.536 -6.117 1.00 0.00 H new ATOM 0 HH12 ARG A 108 18.756 0.661 -5.670 1.00 0.00 H new ATOM 0 HH21 ARG A 108 16.852 3.355 -6.724 1.00 0.00 H new ATOM 0 HH22 ARG A 108 18.373 2.815 -6.007 1.00 0.00 H new ATOM 1639 N TYR A 109 11.161 1.323 -3.225 1.00 0.00 N ATOM 1640 CA TYR A 109 10.393 2.491 -2.722 1.00 0.00 C ATOM 1641 C TYR A 109 9.714 2.172 -1.376 1.00 0.00 C ATOM 1642 O TYR A 109 9.888 2.890 -0.388 1.00 0.00 O ATOM 1643 CB TYR A 109 9.335 2.905 -3.786 1.00 0.00 C ATOM 1644 CG TYR A 109 9.901 3.064 -5.210 1.00 0.00 C ATOM 1645 CD1 TYR A 109 11.201 3.546 -5.430 1.00 0.00 C ATOM 1646 CD2 TYR A 109 9.147 2.707 -6.332 1.00 0.00 C ATOM 1647 CE1 TYR A 109 11.709 3.672 -6.702 1.00 0.00 C ATOM 1648 CE2 TYR A 109 9.657 2.839 -7.606 1.00 0.00 C ATOM 1649 CZ TYR A 109 10.942 3.309 -7.781 1.00 0.00 C ATOM 1650 OH TYR A 109 11.456 3.428 -9.040 1.00 0.00 O ATOM 0 H TYR A 109 10.591 0.645 -3.730 1.00 0.00 H new ATOM 0 HA TYR A 109 11.081 3.320 -2.553 1.00 0.00 H new ATOM 0 HB2 TYR A 109 8.542 2.157 -3.804 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.879 3.847 -3.481 1.00 0.00 H new ATOM 0 HD1 TYR A 109 11.814 3.823 -4.585 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.147 2.321 -6.198 1.00 0.00 H new ATOM 0 HE1 TYR A 109 12.708 4.055 -6.851 1.00 0.00 H new ATOM 0 HE2 TYR A 109 9.054 2.576 -8.462 1.00 0.00 H new ATOM 0 HH TYR A 109 10.771 3.791 -9.640 1.00 0.00 H new ATOM 1660 N VAL A 110 8.943 1.077 -1.368 1.00 0.00 N ATOM 1661 CA VAL A 110 8.185 0.613 -0.191 1.00 0.00 C ATOM 1662 C VAL A 110 8.916 -0.542 0.538 1.00 0.00 C ATOM 1663 O VAL A 110 8.696 -0.759 1.726 1.00 0.00 O ATOM 1664 CB VAL A 110 6.741 0.151 -0.618 1.00 0.00 C ATOM 1665 CG1 VAL A 110 6.756 -1.086 -1.549 1.00 0.00 C ATOM 1666 CG2 VAL A 110 5.866 -0.119 0.604 1.00 0.00 C ATOM 0 H VAL A 110 8.824 0.479 -2.186 1.00 0.00 H new ATOM 0 HA VAL A 110 8.105 1.451 0.501 1.00 0.00 H new ATOM 0 HB VAL A 110 6.313 0.977 -1.187 1.00 0.00 H new ATOM 0 HG11 VAL A 110 5.733 -1.358 -1.810 1.00 0.00 H new ATOM 0 HG12 VAL A 110 7.312 -0.851 -2.457 1.00 0.00 H new ATOM 0 HG13 VAL A 110 7.234 -1.921 -1.037 1.00 0.00 H new ATOM 0 HG21 VAL A 110 4.875 -0.436 0.279 1.00 0.00 H new ATOM 0 HG22 VAL A 110 6.318 -0.905 1.209 1.00 0.00 H new ATOM 0 HG23 VAL A 110 5.779 0.791 1.198 1.00 0.00 H new ATOM 1676 N SER A 111 9.776 -1.262 -0.214 1.00 0.00 N ATOM 1677 CA SER A 111 10.485 -2.486 0.236 1.00 0.00 C ATOM 1678 C SER A 111 9.536 -3.688 0.420 1.00 0.00 C ATOM 1679 O SER A 111 8.372 -3.543 0.802 1.00 0.00 O ATOM 1680 CB SER A 111 11.343 -2.269 1.510 1.00 0.00 C ATOM 1681 OG SER A 111 11.975 -3.471 1.940 1.00 0.00 O ATOM 0 H SER A 111 10.004 -1.005 -1.174 1.00 0.00 H new ATOM 0 HA SER A 111 11.173 -2.722 -0.576 1.00 0.00 H new ATOM 0 HB2 SER A 111 12.102 -1.512 1.311 1.00 0.00 H new ATOM 0 HB3 SER A 111 10.711 -1.885 2.311 1.00 0.00 H new ATOM 0 HG SER A 111 12.507 -3.292 2.743 1.00 0.00 H new ATOM 1687 N LEU A 112 10.080 -4.880 0.147 1.00 0.00 N ATOM 1688 CA LEU A 112 9.371 -6.165 0.278 1.00 0.00 C ATOM 1689 C LEU A 112 8.917 -6.434 1.727 1.00 0.00 C ATOM 1690 O LEU A 112 7.808 -6.915 1.951 1.00 0.00 O ATOM 1691 CB LEU A 112 10.297 -7.296 -0.254 1.00 0.00 C ATOM 1692 CG LEU A 112 9.844 -8.790 -0.039 1.00 0.00 C ATOM 1693 CD1 LEU A 112 10.281 -9.697 -1.212 1.00 0.00 C ATOM 1694 CD2 LEU A 112 10.374 -9.356 1.310 1.00 0.00 C ATOM 0 H LEU A 112 11.042 -4.984 -0.177 1.00 0.00 H new ATOM 0 HA LEU A 112 8.458 -6.131 -0.316 1.00 0.00 H new ATOM 0 HB2 LEU A 112 10.433 -7.140 -1.324 1.00 0.00 H new ATOM 0 HB3 LEU A 112 11.274 -7.174 0.213 1.00 0.00 H new ATOM 0 HG LEU A 112 8.755 -8.787 -0.005 1.00 0.00 H new ATOM 0 HD11 LEU A 112 9.950 -10.718 -1.025 1.00 0.00 H new ATOM 0 HD12 LEU A 112 9.835 -9.334 -2.138 1.00 0.00 H new ATOM 0 HD13 LEU A 112 11.367 -9.679 -1.301 1.00 0.00 H new ATOM 0 HD21 LEU A 112 10.043 -10.388 1.427 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.463 -9.321 1.316 1.00 0.00 H new ATOM 0 HD23 LEU A 112 9.987 -8.756 2.134 1.00 0.00 H new ATOM 1706 N ALA A 113 9.786 -6.107 2.696 1.00 0.00 N ATOM 1707 CA ALA A 113 9.572 -6.443 4.123 1.00 0.00 C ATOM 1708 C ALA A 113 8.279 -5.808 4.683 1.00 0.00 C ATOM 1709 O ALA A 113 7.542 -6.442 5.440 1.00 0.00 O ATOM 1710 CB ALA A 113 10.787 -5.992 4.934 1.00 0.00 C ATOM 0 H ALA A 113 10.656 -5.604 2.519 1.00 0.00 H new ATOM 0 HA ALA A 113 9.453 -7.523 4.205 1.00 0.00 H new ATOM 0 HB1 ALA A 113 10.634 -6.237 5.985 1.00 0.00 H new ATOM 0 HB2 ALA A 113 11.678 -6.502 4.568 1.00 0.00 H new ATOM 0 HB3 ALA A 113 10.916 -4.915 4.828 1.00 0.00 H new ATOM 1716 N ASP A 114 8.009 -4.566 4.258 1.00 0.00 N ATOM 1717 CA ASP A 114 6.819 -3.804 4.675 1.00 0.00 C ATOM 1718 C ASP A 114 5.526 -4.421 4.080 1.00 0.00 C ATOM 1719 O ASP A 114 4.476 -4.425 4.735 1.00 0.00 O ATOM 1720 CB ASP A 114 6.983 -2.324 4.251 1.00 0.00 C ATOM 1721 CG ASP A 114 8.250 -1.667 4.845 1.00 0.00 C ATOM 1722 OD1 ASP A 114 9.373 -2.055 4.446 1.00 0.00 O ATOM 1723 OD2 ASP A 114 8.142 -0.772 5.716 1.00 0.00 O ATOM 0 H ASP A 114 8.612 -4.057 3.612 1.00 0.00 H new ATOM 0 HA ASP A 114 6.727 -3.851 5.760 1.00 0.00 H new ATOM 0 HB2 ASP A 114 7.025 -2.265 3.163 1.00 0.00 H new ATOM 0 HB3 ASP A 114 6.105 -1.761 4.567 1.00 0.00 H new ATOM 1728 N LEU A 115 5.645 -4.990 2.853 1.00 0.00 N ATOM 1729 CA LEU A 115 4.535 -5.680 2.157 1.00 0.00 C ATOM 1730 C LEU A 115 4.140 -6.961 2.934 1.00 0.00 C ATOM 1731 O LEU A 115 2.994 -7.141 3.358 1.00 0.00 O ATOM 1732 CB LEU A 115 4.965 -6.094 0.721 1.00 0.00 C ATOM 1733 CG LEU A 115 5.580 -5.003 -0.199 1.00 0.00 C ATOM 1734 CD1 LEU A 115 6.115 -5.623 -1.506 1.00 0.00 C ATOM 1735 CD2 LEU A 115 4.578 -3.886 -0.496 1.00 0.00 C ATOM 0 H LEU A 115 6.515 -4.982 2.321 1.00 0.00 H new ATOM 0 HA LEU A 115 3.690 -4.993 2.104 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.690 -6.903 0.810 1.00 0.00 H new ATOM 0 HB3 LEU A 115 4.090 -6.503 0.215 1.00 0.00 H new ATOM 0 HG LEU A 115 6.418 -4.558 0.336 1.00 0.00 H new ATOM 0 HD11 LEU A 115 6.540 -4.839 -2.133 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.885 -6.358 -1.272 1.00 0.00 H new ATOM 0 HD13 LEU A 115 5.298 -6.110 -2.038 1.00 0.00 H new ATOM 0 HD21 LEU A 115 5.044 -3.142 -1.142 1.00 0.00 H new ATOM 0 HD22 LEU A 115 3.704 -4.304 -0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.271 -3.415 0.438 1.00 0.00 H new ATOM 1747 N GLN A 116 5.161 -7.812 3.136 1.00 0.00 N ATOM 1748 CA GLN A 116 5.031 -9.163 3.728 1.00 0.00 C ATOM 1749 C GLN A 116 4.653 -9.136 5.222 1.00 0.00 C ATOM 1750 O GLN A 116 4.089 -10.100 5.740 1.00 0.00 O ATOM 1751 CB GLN A 116 6.361 -9.929 3.515 1.00 0.00 C ATOM 1752 CG GLN A 116 6.821 -9.974 2.035 1.00 0.00 C ATOM 1753 CD GLN A 116 7.541 -11.263 1.616 1.00 0.00 C ATOM 1754 OE1 GLN A 116 8.213 -11.895 2.403 1.00 0.00 O ATOM 1755 NE2 GLN A 116 7.418 -11.641 0.359 1.00 0.00 N ATOM 0 H GLN A 116 6.122 -7.578 2.888 1.00 0.00 H new ATOM 0 HA GLN A 116 4.211 -9.673 3.222 1.00 0.00 H new ATOM 0 HB2 GLN A 116 7.141 -9.460 4.115 1.00 0.00 H new ATOM 0 HB3 GLN A 116 6.246 -10.949 3.882 1.00 0.00 H new ATOM 0 HG2 GLN A 116 5.949 -9.839 1.395 1.00 0.00 H new ATOM 0 HG3 GLN A 116 7.485 -9.129 1.851 1.00 0.00 H new ATOM 0 HE21 GLN A 116 6.847 -11.093 -0.285 1.00 0.00 H new ATOM 0 HE22 GLN A 116 7.894 -12.481 0.030 1.00 0.00 H new ATOM 1764 N ALA A 117 4.988 -8.023 5.896 1.00 0.00 N ATOM 1765 CA ALA A 117 4.610 -7.783 7.315 1.00 0.00 C ATOM 1766 C ALA A 117 3.065 -7.763 7.544 1.00 0.00 C ATOM 1767 O ALA A 117 2.602 -7.985 8.669 1.00 0.00 O ATOM 1768 CB ALA A 117 5.238 -6.476 7.807 1.00 0.00 C ATOM 0 H ALA A 117 5.526 -7.262 5.482 1.00 0.00 H new ATOM 0 HA ALA A 117 4.997 -8.622 7.893 1.00 0.00 H new ATOM 0 HB1 ALA A 117 4.957 -6.306 8.846 1.00 0.00 H new ATOM 0 HB2 ALA A 117 6.323 -6.542 7.730 1.00 0.00 H new ATOM 0 HB3 ALA A 117 4.881 -5.648 7.195 1.00 0.00 H new ATOM 1774 N HIS A 118 2.275 -7.474 6.485 1.00 0.00 N ATOM 1775 CA HIS A 118 0.781 -7.531 6.535 1.00 0.00 C ATOM 1776 C HIS A 118 0.195 -8.601 5.582 1.00 0.00 C ATOM 1777 O HIS A 118 -0.983 -8.963 5.715 1.00 0.00 O ATOM 1778 CB HIS A 118 0.157 -6.130 6.261 1.00 0.00 C ATOM 1779 CG HIS A 118 -0.060 -5.321 7.508 1.00 0.00 C ATOM 1780 ND1 HIS A 118 0.965 -4.785 8.249 1.00 0.00 N ATOM 1781 CD2 HIS A 118 -1.199 -5.010 8.170 1.00 0.00 C ATOM 1782 CE1 HIS A 118 0.470 -4.171 9.303 1.00 0.00 C ATOM 1783 NE2 HIS A 118 -0.835 -4.297 9.278 1.00 0.00 N ATOM 0 H HIS A 118 2.643 -7.196 5.575 1.00 0.00 H new ATOM 0 HA HIS A 118 0.512 -7.833 7.547 1.00 0.00 H new ATOM 0 HB2 HIS A 118 0.809 -5.576 5.586 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -0.797 -6.259 5.749 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -2.205 -5.275 7.878 1.00 0.00 H new ATOM 0 HE1 HIS A 118 1.041 -3.652 10.059 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -1.478 -3.922 9.976 1.00 0.00 H new ATOM 1792 N ALA A 119 0.998 -9.082 4.616 1.00 0.00 N ATOM 1793 CA ALA A 119 0.630 -10.248 3.776 1.00 0.00 C ATOM 1794 C ALA A 119 0.940 -11.573 4.523 1.00 0.00 C ATOM 1795 O ALA A 119 1.628 -11.563 5.551 1.00 0.00 O ATOM 1796 CB ALA A 119 1.362 -10.181 2.433 1.00 0.00 C ATOM 0 H ALA A 119 1.910 -8.683 4.393 1.00 0.00 H new ATOM 0 HA ALA A 119 -0.442 -10.220 3.579 1.00 0.00 H new ATOM 0 HB1 ALA A 119 1.085 -11.042 1.824 1.00 0.00 H new ATOM 0 HB2 ALA A 119 1.085 -9.264 1.913 1.00 0.00 H new ATOM 0 HB3 ALA A 119 2.438 -10.190 2.604 1.00 0.00 H new ATOM 1802 N LEU A 120 0.436 -12.711 4.006 1.00 0.00 N ATOM 1803 CA LEU A 120 0.556 -14.029 4.696 1.00 0.00 C ATOM 1804 C LEU A 120 2.055 -14.540 4.744 1.00 0.00 C ATOM 1805 O LEU A 120 2.607 -14.723 5.841 1.00 0.00 O ATOM 1806 CB LEU A 120 -0.404 -15.089 4.033 1.00 0.00 C ATOM 1807 CG LEU A 120 -1.025 -16.237 4.917 1.00 0.00 C ATOM 1808 CD1 LEU A 120 -1.569 -17.366 4.014 1.00 0.00 C ATOM 1809 CD2 LEU A 120 -0.055 -16.800 5.981 1.00 0.00 C ATOM 0 H LEU A 120 -0.059 -12.753 3.115 1.00 0.00 H new ATOM 0 HA LEU A 120 0.244 -13.893 5.732 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -1.231 -14.542 3.581 1.00 0.00 H new ATOM 0 HB3 LEU A 120 0.146 -15.564 3.221 1.00 0.00 H new ATOM 0 HG LEU A 120 -1.845 -15.788 5.477 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -1.996 -18.154 4.634 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -2.339 -16.966 3.355 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -0.756 -17.776 3.415 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -0.554 -17.585 6.549 1.00 0.00 H new ATOM 0 HD22 LEU A 120 0.826 -17.212 5.489 1.00 0.00 H new ATOM 0 HD23 LEU A 120 0.248 -16.000 6.657 1.00 0.00 H new ATOM 1821 N PRO A 121 2.740 -14.772 3.569 1.00 0.00 N ATOM 1822 CA PRO A 121 4.088 -15.381 3.530 1.00 0.00 C ATOM 1823 C PRO A 121 5.248 -14.352 3.691 1.00 0.00 C ATOM 1824 O PRO A 121 5.780 -13.822 2.709 1.00 0.00 O ATOM 1825 CB PRO A 121 4.069 -16.061 2.137 1.00 0.00 C ATOM 1826 CG PRO A 121 3.288 -15.112 1.274 1.00 0.00 C ATOM 1827 CD PRO A 121 2.275 -14.450 2.195 1.00 0.00 C ATOM 0 HA PRO A 121 4.281 -16.063 4.358 1.00 0.00 H new ATOM 0 HB2 PRO A 121 5.078 -16.210 1.753 1.00 0.00 H new ATOM 0 HB3 PRO A 121 3.596 -17.042 2.179 1.00 0.00 H new ATOM 0 HG2 PRO A 121 3.943 -14.371 0.816 1.00 0.00 H new ATOM 0 HG3 PRO A 121 2.790 -15.642 0.462 1.00 0.00 H new ATOM 0 HD2 PRO A 121 2.238 -13.373 2.033 1.00 0.00 H new ATOM 0 HD3 PRO A 121 1.270 -14.834 2.018 1.00 0.00 H new ATOM 1835 N VAL A 122 5.610 -14.049 4.953 1.00 0.00 N ATOM 1836 CA VAL A 122 6.775 -13.187 5.262 1.00 0.00 C ATOM 1837 C VAL A 122 8.102 -13.995 5.163 1.00 0.00 C ATOM 1838 O VAL A 122 8.186 -15.129 5.643 1.00 0.00 O ATOM 1839 CB VAL A 122 6.618 -12.479 6.667 1.00 0.00 C ATOM 1840 CG1 VAL A 122 6.380 -13.499 7.813 1.00 0.00 C ATOM 1841 CG2 VAL A 122 7.826 -11.549 6.969 1.00 0.00 C ATOM 0 H VAL A 122 5.114 -14.387 5.778 1.00 0.00 H new ATOM 0 HA VAL A 122 6.815 -12.395 4.514 1.00 0.00 H new ATOM 0 HB VAL A 122 5.726 -11.855 6.613 1.00 0.00 H new ATOM 0 HG11 VAL A 122 6.278 -12.967 8.759 1.00 0.00 H new ATOM 0 HG12 VAL A 122 5.469 -14.063 7.614 1.00 0.00 H new ATOM 0 HG13 VAL A 122 7.226 -14.184 7.872 1.00 0.00 H new ATOM 0 HG21 VAL A 122 7.688 -11.077 7.942 1.00 0.00 H new ATOM 0 HG22 VAL A 122 8.744 -12.136 6.978 1.00 0.00 H new ATOM 0 HG23 VAL A 122 7.895 -10.780 6.199 1.00 0.00 H new ATOM 1851 N LEU A 123 9.127 -13.391 4.536 1.00 0.00 N ATOM 1852 CA LEU A 123 10.409 -14.058 4.220 1.00 0.00 C ATOM 1853 C LEU A 123 11.589 -13.065 4.465 1.00 0.00 C ATOM 1854 O LEU A 123 11.512 -11.893 4.084 1.00 0.00 O ATOM 1855 CB LEU A 123 10.365 -14.572 2.736 1.00 0.00 C ATOM 1856 CG LEU A 123 11.089 -15.930 2.435 1.00 0.00 C ATOM 1857 CD1 LEU A 123 10.762 -16.424 1.006 1.00 0.00 C ATOM 1858 CD2 LEU A 123 12.621 -15.839 2.649 1.00 0.00 C ATOM 0 H LEU A 123 9.092 -12.418 4.231 1.00 0.00 H new ATOM 0 HA LEU A 123 10.566 -14.919 4.870 1.00 0.00 H new ATOM 0 HB2 LEU A 123 9.320 -14.672 2.442 1.00 0.00 H new ATOM 0 HB3 LEU A 123 10.803 -13.805 2.098 1.00 0.00 H new ATOM 0 HG LEU A 123 10.709 -16.659 3.150 1.00 0.00 H new ATOM 0 HD11 LEU A 123 11.276 -17.367 0.821 1.00 0.00 H new ATOM 0 HD12 LEU A 123 9.686 -16.571 0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 123 11.093 -15.682 0.280 1.00 0.00 H new ATOM 0 HD21 LEU A 123 13.077 -16.804 2.428 1.00 0.00 H new ATOM 0 HD22 LEU A 123 13.037 -15.081 1.986 1.00 0.00 H new ATOM 0 HD23 LEU A 123 12.828 -15.568 3.684 1.00 0.00 H new ATOM 1870 N GLU A 124 12.674 -13.564 5.092 1.00 0.00 N ATOM 1871 CA GLU A 124 13.856 -12.750 5.488 1.00 0.00 C ATOM 1872 C GLU A 124 14.785 -12.420 4.290 1.00 0.00 C ATOM 1873 O GLU A 124 15.039 -13.272 3.429 1.00 0.00 O ATOM 1874 CB GLU A 124 14.667 -13.510 6.568 1.00 0.00 C ATOM 1875 CG GLU A 124 13.868 -13.867 7.834 1.00 0.00 C ATOM 1876 CD GLU A 124 14.648 -14.779 8.794 1.00 0.00 C ATOM 1877 OE1 GLU A 124 15.379 -14.261 9.670 1.00 0.00 O ATOM 1878 OE2 GLU A 124 14.554 -16.019 8.654 1.00 0.00 O ATOM 0 H GLU A 124 12.761 -14.549 5.342 1.00 0.00 H new ATOM 0 HA GLU A 124 13.480 -11.805 5.879 1.00 0.00 H new ATOM 0 HB2 GLU A 124 15.059 -14.428 6.130 1.00 0.00 H new ATOM 0 HB3 GLU A 124 15.525 -12.902 6.855 1.00 0.00 H new ATOM 0 HG2 GLU A 124 13.593 -12.950 8.355 1.00 0.00 H new ATOM 0 HG3 GLU A 124 12.940 -14.360 7.545 1.00 0.00 H new ATOM 1885 N HIS A 125 15.281 -11.166 4.258 1.00 0.00 N ATOM 1886 CA HIS A 125 16.259 -10.670 3.253 1.00 0.00 C ATOM 1887 C HIS A 125 17.462 -9.977 3.953 1.00 0.00 C ATOM 1888 O HIS A 125 17.510 -9.881 5.186 1.00 0.00 O ATOM 1889 CB HIS A 125 15.570 -9.682 2.263 1.00 0.00 C ATOM 1890 CG HIS A 125 14.626 -10.326 1.279 1.00 0.00 C ATOM 1891 ND1 HIS A 125 14.822 -10.285 -0.084 1.00 0.00 N ATOM 1892 CD2 HIS A 125 13.478 -11.022 1.460 1.00 0.00 C ATOM 1893 CE1 HIS A 125 13.843 -10.919 -0.692 1.00 0.00 C ATOM 1894 NE2 HIS A 125 13.015 -11.379 0.219 1.00 0.00 N ATOM 0 H HIS A 125 15.013 -10.454 4.938 1.00 0.00 H new ATOM 0 HA HIS A 125 16.632 -11.525 2.690 1.00 0.00 H new ATOM 0 HB2 HIS A 125 15.020 -8.938 2.839 1.00 0.00 H new ATOM 0 HB3 HIS A 125 16.342 -9.149 1.708 1.00 0.00 H new ATOM 0 HD2 HIS A 125 13.013 -11.253 2.407 1.00 0.00 H new ATOM 0 HE1 HIS A 125 13.737 -11.041 -1.760 1.00 0.00 H new ATOM 0 HE2 HIS A 125 12.167 -11.914 0.034 1.00 0.00 H new ATOM 1903 N HIS A 126 18.427 -9.494 3.144 1.00 0.00 N ATOM 1904 CA HIS A 126 19.641 -8.787 3.630 1.00 0.00 C ATOM 1905 C HIS A 126 19.554 -7.253 3.373 1.00 0.00 C ATOM 1906 O HIS A 126 18.477 -6.720 3.069 1.00 0.00 O ATOM 1907 CB HIS A 126 20.894 -9.401 2.954 1.00 0.00 C ATOM 1908 CG HIS A 126 21.123 -10.855 3.280 1.00 0.00 C ATOM 1909 ND1 HIS A 126 20.884 -11.876 2.387 1.00 0.00 N ATOM 1910 CD2 HIS A 126 21.578 -11.455 4.408 1.00 0.00 C ATOM 1911 CE1 HIS A 126 21.183 -13.027 2.945 1.00 0.00 C ATOM 1912 NE2 HIS A 126 21.606 -12.804 4.166 1.00 0.00 N ATOM 0 H HIS A 126 18.390 -9.581 2.128 1.00 0.00 H new ATOM 0 HA HIS A 126 19.716 -8.919 4.709 1.00 0.00 H new ATOM 0 HB2 HIS A 126 20.799 -9.293 1.873 1.00 0.00 H new ATOM 0 HB3 HIS A 126 21.772 -8.830 3.256 1.00 0.00 H new ATOM 0 HD2 HIS A 126 21.865 -10.962 5.325 1.00 0.00 H new ATOM 0 HE1 HIS A 126 21.095 -13.996 2.476 1.00 0.00 H new ATOM 0 HE2 HIS A 126 21.907 -13.519 4.829 1.00 0.00 H new ATOM 1921 N HIS A 127 20.706 -6.553 3.508 1.00 0.00 N ATOM 1922 CA HIS A 127 20.787 -5.075 3.406 1.00 0.00 C ATOM 1923 C HIS A 127 20.491 -4.574 1.962 1.00 0.00 C ATOM 1924 O HIS A 127 20.993 -5.133 0.984 1.00 0.00 O ATOM 1925 CB HIS A 127 22.200 -4.605 3.870 1.00 0.00 C ATOM 1926 CG HIS A 127 22.283 -3.164 4.330 1.00 0.00 C ATOM 1927 ND1 HIS A 127 22.652 -2.812 5.612 1.00 0.00 N ATOM 1928 CD2 HIS A 127 22.053 -1.992 3.683 1.00 0.00 C ATOM 1929 CE1 HIS A 127 22.644 -1.502 5.731 1.00 0.00 C ATOM 1930 NE2 HIS A 127 22.284 -0.979 4.580 1.00 0.00 N ATOM 0 H HIS A 127 21.606 -6.997 3.691 1.00 0.00 H new ATOM 0 HA HIS A 127 20.024 -4.644 4.054 1.00 0.00 H new ATOM 0 HB2 HIS A 127 22.530 -5.249 4.685 1.00 0.00 H new ATOM 0 HB3 HIS A 127 22.901 -4.748 3.047 1.00 0.00 H new ATOM 0 HD2 HIS A 127 21.745 -1.878 2.654 1.00 0.00 H new ATOM 0 HE1 HIS A 127 22.892 -0.949 6.625 1.00 0.00 H new ATOM 0 HE2 HIS A 127 22.191 0.018 4.385 1.00 0.00 H new ATOM 1939 N HIS A 128 19.675 -3.508 1.858 1.00 0.00 N ATOM 1940 CA HIS A 128 19.351 -2.835 0.571 1.00 0.00 C ATOM 1941 C HIS A 128 19.589 -1.306 0.690 1.00 0.00 C ATOM 1942 O HIS A 128 19.299 -0.708 1.736 1.00 0.00 O ATOM 1943 CB HIS A 128 17.885 -3.142 0.157 1.00 0.00 C ATOM 1944 CG HIS A 128 16.857 -2.744 1.184 1.00 0.00 C ATOM 1945 ND1 HIS A 128 16.316 -1.478 1.253 1.00 0.00 N ATOM 1946 CD2 HIS A 128 16.296 -3.440 2.204 1.00 0.00 C ATOM 1947 CE1 HIS A 128 15.478 -1.413 2.264 1.00 0.00 C ATOM 1948 NE2 HIS A 128 15.445 -2.585 2.857 1.00 0.00 N ATOM 0 H HIS A 128 19.217 -3.082 2.664 1.00 0.00 H new ATOM 0 HA HIS A 128 20.010 -3.221 -0.207 1.00 0.00 H new ATOM 0 HB2 HIS A 128 17.667 -2.625 -0.778 1.00 0.00 H new ATOM 0 HB3 HIS A 128 17.791 -4.210 -0.040 1.00 0.00 H new ATOM 0 HD2 HIS A 128 16.484 -4.473 2.455 1.00 0.00 H new ATOM 0 HE1 HIS A 128 14.911 -0.542 2.558 1.00 0.00 H new ATOM 0 HE2 HIS A 128 14.878 -2.821 3.671 1.00 0.00 H new ATOM 1957 N HIS A 129 20.112 -0.693 -0.394 1.00 0.00 N ATOM 1958 CA HIS A 129 20.478 0.747 -0.431 1.00 0.00 C ATOM 1959 C HIS A 129 20.789 1.186 -1.889 1.00 0.00 C ATOM 1960 O HIS A 129 20.924 0.333 -2.774 1.00 0.00 O ATOM 1961 CB HIS A 129 21.701 1.000 0.503 1.00 0.00 C ATOM 1962 CG HIS A 129 22.074 2.444 0.701 1.00 0.00 C ATOM 1963 ND1 HIS A 129 21.305 3.314 1.440 1.00 0.00 N ATOM 1964 CD2 HIS A 129 23.114 3.178 0.228 1.00 0.00 C ATOM 1965 CE1 HIS A 129 21.849 4.511 1.418 1.00 0.00 C ATOM 1966 NE2 HIS A 129 22.943 4.455 0.692 1.00 0.00 N ATOM 0 H HIS A 129 20.294 -1.180 -1.271 1.00 0.00 H new ATOM 0 HA HIS A 129 19.638 1.343 -0.073 1.00 0.00 H new ATOM 0 HB2 HIS A 129 21.489 0.560 1.478 1.00 0.00 H new ATOM 0 HB3 HIS A 129 22.563 0.472 0.095 1.00 0.00 H new ATOM 0 HD2 HIS A 129 23.921 2.823 -0.395 1.00 0.00 H new ATOM 0 HE1 HIS A 129 21.463 5.390 1.912 1.00 0.00 H new ATOM 0 HE2 HIS A 129 23.567 5.240 0.504 1.00 0.00 H new ATOM 1975 N HIS A 130 20.851 2.524 -2.113 1.00 0.00 N ATOM 1976 CA HIS A 130 21.275 3.159 -3.391 1.00 0.00 C ATOM 1977 C HIS A 130 20.192 2.982 -4.502 1.00 0.00 C ATOM 1978 O HIS A 130 19.359 3.895 -4.687 1.00 0.00 O ATOM 1979 CB HIS A 130 22.676 2.636 -3.849 1.00 0.00 C ATOM 1980 CG HIS A 130 23.194 3.242 -5.134 1.00 0.00 C ATOM 1981 ND1 HIS A 130 22.769 2.836 -6.383 1.00 0.00 N ATOM 1982 CD2 HIS A 130 24.102 4.219 -5.358 1.00 0.00 C ATOM 1983 CE1 HIS A 130 23.387 3.533 -7.309 1.00 0.00 C ATOM 1984 NE2 HIS A 130 24.202 4.379 -6.718 1.00 0.00 N ATOM 1985 OXT HIS A 130 20.176 1.930 -5.185 1.00 0.00 O ATOM 0 H HIS A 130 20.603 3.206 -1.397 1.00 0.00 H new ATOM 0 HA HIS A 130 21.376 4.230 -3.212 1.00 0.00 H new ATOM 0 HB2 HIS A 130 23.397 2.832 -3.056 1.00 0.00 H new ATOM 0 HB3 HIS A 130 22.622 1.554 -3.971 1.00 0.00 H new ATOM 0 HD1 HIS A 130 22.080 2.105 -6.560 1.00 0.00 H new ATOM 0 HD2 HIS A 130 24.647 4.771 -4.607 1.00 0.00 H new ATOM 0 HE1 HIS A 130 23.249 3.429 -8.375 1.00 0.00 H new TER 1994 HIS A 130