USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 852 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 36 SER OG : rot 69:sc= 0.149 USER MOD Set 1.2: A 44 THR OG1 : rot 77:sc= -1.01 USER MOD Single : A 2 THR OG1 : rot -14:sc= 0.523 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.494 USER MOD Single : A 4 HIS : no HD1:sc= 1.15 K(o=1.2,f=-4.5!) USER MOD Single : A 10 GLN : amide:sc= -0.46! X(o=-0.46!,f=-0.85) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 21 HIS : no HD1:sc= -0.831 K(o=-0.83,f=0.23) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 26 ASN : amide:sc= 1.05 K(o=1.1,f=-0.43) USER MOD Single : A 30 GLN : amide:sc= -1.09 K(o=-1.1,f=-0.03) USER MOD Single : A 32 HIS : no HD1:sc= -1.07 K(o=-1.1,f=-0.0077) USER MOD Single : A 33 GLN : amide:sc= -0.327 K(o=-0.33,f=-1.1) USER MOD Single : A 35 ASN : amide:sc= -0.103 K(o=-0.1,f=-1.3!) USER MOD Single : A 37 THR OG1 : rot -34:sc= 0.754 USER MOD Single : A 38 GLN : amide:sc= -2.37 K(o=-2.4,f=-8.1!) USER MOD Single : A 42 MET CE :methyl -156:sc= -0.0582 (180deg=-0.926) USER MOD Single : A 45 MET CE :methyl -109:sc= -0.164 (180deg=-1.17) USER MOD Single : A 52 GLN : amide:sc= -10.6! K(o=-11!,f=-3) USER MOD Single : A 59 MET CE :methyl -168:sc= 0 (180deg=-0.004) USER MOD Single : A 60 HIS : no HD1:sc= -1.25 K(o=-1.3,f=-0.35) USER MOD Single : A 65 ASN : amide:sc= -0.0195 K(o=-0.02,f=-0.84) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -2.46! K(o=-2.5!,f=-0.4) USER MOD Single : A 78 TYR OH : rot 121:sc= 1.44 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.534 USER MOD Single : A 81 MET CE :methyl -133:sc= -1.2 (180deg=-2.54!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0261 USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 99 LYS NZ :NH3+ -106:sc= 1.2 (180deg=-0.242!) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -16.910 0.965 7.646 1.00 0.00 N ATOM 21 CA THR A 2 -16.187 1.596 6.534 1.00 0.00 C ATOM 22 C THR A 2 -14.783 1.021 6.350 1.00 0.00 C ATOM 23 O THR A 2 -13.816 1.761 6.177 1.00 0.00 O ATOM 24 CB THR A 2 -16.108 3.132 6.709 1.00 0.00 C ATOM 25 OG1 THR A 2 -16.160 3.484 8.101 1.00 0.00 O ATOM 26 CG2 THR A 2 -17.243 3.819 5.965 1.00 0.00 C ATOM 0 HA THR A 2 -16.760 1.372 5.634 1.00 0.00 H new ATOM 0 HB THR A 2 -15.159 3.469 6.291 1.00 0.00 H new ATOM 0 HG1 THR A 2 -16.453 2.709 8.624 1.00 0.00 H new ATOM 0 HG21 THR A 2 -17.167 4.898 6.102 1.00 0.00 H new ATOM 0 HG22 THR A 2 -17.178 3.583 4.903 1.00 0.00 H new ATOM 0 HG23 THR A 2 -18.199 3.470 6.356 1.00 0.00 H new ATOM 34 N THR A 3 -14.684 -0.302 6.362 1.00 0.00 N ATOM 35 CA THR A 3 -13.401 -0.975 6.260 1.00 0.00 C ATOM 36 C THR A 3 -12.756 -0.702 4.905 1.00 0.00 C ATOM 37 O THR A 3 -11.545 -0.495 4.812 1.00 0.00 O ATOM 38 CB THR A 3 -13.560 -2.492 6.480 1.00 0.00 C ATOM 39 OG1 THR A 3 -14.229 -2.726 7.730 1.00 0.00 O ATOM 40 CG2 THR A 3 -12.207 -3.187 6.485 1.00 0.00 C ATOM 0 H THR A 3 -15.483 -0.931 6.442 1.00 0.00 H new ATOM 0 HA THR A 3 -12.750 -0.580 7.040 1.00 0.00 H new ATOM 0 HB THR A 3 -14.151 -2.901 5.661 1.00 0.00 H new ATOM 0 HG1 THR A 3 -14.332 -3.690 7.870 1.00 0.00 H new ATOM 0 HG21 THR A 3 -12.348 -4.256 6.642 1.00 0.00 H new ATOM 0 HG22 THR A 3 -11.710 -3.023 5.529 1.00 0.00 H new ATOM 0 HG23 THR A 3 -11.592 -2.780 7.288 1.00 0.00 H new ATOM 48 N HIS A 4 -13.576 -0.661 3.862 1.00 0.00 N ATOM 49 CA HIS A 4 -13.081 -0.385 2.519 1.00 0.00 C ATOM 50 C HIS A 4 -12.539 1.033 2.437 1.00 0.00 C ATOM 51 O HIS A 4 -11.525 1.285 1.788 1.00 0.00 O ATOM 52 CB HIS A 4 -14.185 -0.574 1.476 1.00 0.00 C ATOM 53 CG HIS A 4 -14.711 -1.969 1.397 1.00 0.00 C ATOM 54 ND1 HIS A 4 -15.961 -2.326 1.847 1.00 0.00 N ATOM 55 CD2 HIS A 4 -14.150 -3.100 0.913 1.00 0.00 C ATOM 56 CE1 HIS A 4 -16.146 -3.618 1.649 1.00 0.00 C ATOM 57 NE2 HIS A 4 -15.060 -4.108 1.081 1.00 0.00 N ATOM 0 H HIS A 4 -14.583 -0.815 3.920 1.00 0.00 H new ATOM 0 HA HIS A 4 -12.278 -1.091 2.307 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -15.009 0.102 1.707 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -13.800 -0.285 0.498 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -13.167 -3.191 0.475 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -17.033 -4.178 1.907 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -14.921 -5.082 0.811 1.00 0.00 H new ATOM 66 N ASP A 5 -13.205 1.954 3.118 1.00 0.00 N ATOM 67 CA ASP A 5 -12.812 3.353 3.078 1.00 0.00 C ATOM 68 C ASP A 5 -11.556 3.577 3.908 1.00 0.00 C ATOM 69 O ASP A 5 -10.681 4.346 3.521 1.00 0.00 O ATOM 70 CB ASP A 5 -13.943 4.252 3.572 1.00 0.00 C ATOM 71 CG ASP A 5 -13.726 5.699 3.182 1.00 0.00 C ATOM 72 OD1 ASP A 5 -13.841 6.012 1.975 1.00 0.00 O ATOM 73 OD2 ASP A 5 -13.463 6.531 4.071 1.00 0.00 O ATOM 0 H ASP A 5 -14.017 1.758 3.703 1.00 0.00 H new ATOM 0 HA ASP A 5 -12.597 3.615 2.042 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -14.890 3.903 3.160 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -14.020 4.176 4.657 1.00 0.00 H new ATOM 78 N ARG A 6 -11.464 2.883 5.041 1.00 0.00 N ATOM 79 CA ARG A 6 -10.271 2.948 5.879 1.00 0.00 C ATOM 80 C ARG A 6 -9.038 2.519 5.088 1.00 0.00 C ATOM 81 O ARG A 6 -7.998 3.183 5.126 1.00 0.00 O ATOM 82 CB ARG A 6 -10.422 2.076 7.133 1.00 0.00 C ATOM 83 CG ARG A 6 -11.363 2.661 8.176 1.00 0.00 C ATOM 84 CD ARG A 6 -11.376 1.836 9.457 1.00 0.00 C ATOM 85 NE ARG A 6 -12.040 0.543 9.280 1.00 0.00 N ATOM 86 CZ ARG A 6 -11.569 -0.611 9.759 1.00 0.00 C ATOM 87 NH1 ARG A 6 -10.426 -0.645 10.434 1.00 0.00 N ATOM 88 NH2 ARG A 6 -12.246 -1.734 9.568 1.00 0.00 N ATOM 0 H ARG A 6 -12.199 2.272 5.398 1.00 0.00 H new ATOM 0 HA ARG A 6 -10.146 3.983 6.198 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -10.787 1.092 6.839 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -9.440 1.930 7.584 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -11.060 3.683 8.405 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -12.372 2.712 7.767 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -10.352 1.673 9.791 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -11.882 2.397 10.242 1.00 0.00 H new ATOM 0 HE ARG A 6 -12.916 0.523 8.759 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -9.900 0.215 10.590 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -10.074 -1.531 10.796 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -13.127 -1.717 9.055 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -11.886 -2.615 9.934 1.00 0.00 H new ATOM 102 N VAL A 7 -9.163 1.415 4.360 1.00 0.00 N ATOM 103 CA VAL A 7 -8.082 0.938 3.507 1.00 0.00 C ATOM 104 C VAL A 7 -7.772 1.962 2.418 1.00 0.00 C ATOM 105 O VAL A 7 -6.608 2.237 2.120 1.00 0.00 O ATOM 106 CB VAL A 7 -8.433 -0.423 2.860 1.00 0.00 C ATOM 107 CG1 VAL A 7 -7.345 -0.875 1.897 1.00 0.00 C ATOM 108 CG2 VAL A 7 -8.656 -1.474 3.932 1.00 0.00 C ATOM 0 H VAL A 7 -10.001 0.834 4.344 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.202 0.802 4.135 1.00 0.00 H new ATOM 0 HB VAL A 7 -9.354 -0.296 2.291 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -7.622 -1.834 1.459 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -7.229 -0.135 1.105 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.403 -0.980 2.436 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -8.902 -2.426 3.462 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.749 -1.586 4.526 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -9.477 -1.165 4.579 1.00 0.00 H new ATOM 118 N ARG A 8 -8.825 2.540 1.852 1.00 0.00 N ATOM 119 CA ARG A 8 -8.689 3.539 0.797 1.00 0.00 C ATOM 120 C ARG A 8 -7.886 4.746 1.278 1.00 0.00 C ATOM 121 O ARG A 8 -7.005 5.239 0.571 1.00 0.00 O ATOM 122 CB ARG A 8 -10.072 3.992 0.326 1.00 0.00 C ATOM 123 CG ARG A 8 -10.033 4.930 -0.867 1.00 0.00 C ATOM 124 CD ARG A 8 -11.419 5.446 -1.217 1.00 0.00 C ATOM 125 NE ARG A 8 -11.990 6.256 -0.141 1.00 0.00 N ATOM 126 CZ ARG A 8 -11.966 7.587 -0.116 1.00 0.00 C ATOM 127 NH1 ARG A 8 -11.401 8.267 -1.111 1.00 0.00 N ATOM 128 NH2 ARG A 8 -12.505 8.233 0.909 1.00 0.00 N ATOM 0 H ARG A 8 -9.790 2.332 2.108 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.152 3.082 -0.034 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -10.664 3.114 0.067 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -10.582 4.489 1.151 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.375 5.771 -0.648 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.610 4.410 -1.726 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -11.365 6.041 -2.129 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -12.078 4.603 -1.425 1.00 0.00 H new ATOM 0 HE ARG A 8 -12.434 5.771 0.639 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -10.984 7.768 -1.897 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -11.385 9.287 -1.087 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -12.935 7.710 1.672 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -12.490 9.253 0.934 1.00 0.00 H new ATOM 142 N LEU A 9 -8.189 5.211 2.485 1.00 0.00 N ATOM 143 CA LEU A 9 -7.512 6.369 3.059 1.00 0.00 C ATOM 144 C LEU A 9 -6.025 6.089 3.261 1.00 0.00 C ATOM 145 O LEU A 9 -5.189 6.979 3.097 1.00 0.00 O ATOM 146 CB LEU A 9 -8.154 6.756 4.393 1.00 0.00 C ATOM 147 CG LEU A 9 -9.645 7.095 4.327 1.00 0.00 C ATOM 148 CD1 LEU A 9 -10.165 7.464 5.705 1.00 0.00 C ATOM 149 CD2 LEU A 9 -9.898 8.228 3.344 1.00 0.00 C ATOM 0 H LEU A 9 -8.903 4.802 3.088 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.616 7.198 2.360 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.016 5.934 5.096 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.620 7.616 4.798 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.181 6.213 3.977 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.227 7.702 5.641 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.022 6.624 6.385 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.620 8.331 6.079 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.964 8.452 3.313 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.350 9.115 3.662 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.561 7.930 2.351 1.00 0.00 H new ATOM 161 N GLN A 10 -5.701 4.851 3.614 1.00 0.00 N ATOM 162 CA GLN A 10 -4.310 4.456 3.802 1.00 0.00 C ATOM 163 C GLN A 10 -3.598 4.293 2.464 1.00 0.00 C ATOM 164 O GLN A 10 -2.391 4.509 2.366 1.00 0.00 O ATOM 165 CB GLN A 10 -4.225 3.176 4.628 1.00 0.00 C ATOM 166 CG GLN A 10 -3.845 3.418 6.084 1.00 0.00 C ATOM 167 CD GLN A 10 -4.246 4.797 6.584 1.00 0.00 C ATOM 168 OE1 GLN A 10 -5.365 5.004 7.052 1.00 0.00 O ATOM 169 NE2 GLN A 10 -3.320 5.744 6.525 1.00 0.00 N ATOM 0 H GLN A 10 -6.379 4.106 3.775 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.803 5.250 4.350 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.187 2.665 4.592 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.492 2.508 4.175 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -4.319 2.660 6.708 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.768 3.296 6.197 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.403 5.536 6.130 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.525 6.680 6.874 1.00 0.00 H new ATOM 178 N LEU A 11 -4.347 3.925 1.434 1.00 0.00 N ATOM 179 CA LEU A 11 -3.810 3.905 0.079 1.00 0.00 C ATOM 180 C LEU A 11 -3.449 5.323 -0.345 1.00 0.00 C ATOM 181 O LEU A 11 -2.396 5.560 -0.936 1.00 0.00 O ATOM 182 CB LEU A 11 -4.821 3.313 -0.904 1.00 0.00 C ATOM 183 CG LEU A 11 -5.152 1.836 -0.698 1.00 0.00 C ATOM 184 CD1 LEU A 11 -6.229 1.400 -1.674 1.00 0.00 C ATOM 185 CD2 LEU A 11 -3.907 0.979 -0.863 1.00 0.00 C ATOM 0 H LEU A 11 -5.323 3.638 1.509 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.918 3.278 0.069 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.745 3.887 -0.837 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.437 3.444 -1.916 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.525 1.703 0.317 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.456 0.346 -1.518 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.129 1.993 -1.512 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.876 1.548 -2.695 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.164 -0.069 -0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.503 1.113 -1.867 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.159 1.278 -0.128 1.00 0.00 H new ATOM 197 N GLN A 12 -4.333 6.262 -0.026 1.00 0.00 N ATOM 198 CA GLN A 12 -4.091 7.670 -0.308 1.00 0.00 C ATOM 199 C GLN A 12 -2.923 8.191 0.520 1.00 0.00 C ATOM 200 O GLN A 12 -2.197 9.082 0.088 1.00 0.00 O ATOM 201 CB GLN A 12 -5.343 8.499 -0.026 1.00 0.00 C ATOM 202 CG GLN A 12 -6.489 8.217 -0.983 1.00 0.00 C ATOM 203 CD GLN A 12 -7.712 9.056 -0.680 1.00 0.00 C ATOM 204 OE1 GLN A 12 -7.980 9.394 0.475 1.00 0.00 O ATOM 205 NE2 GLN A 12 -8.454 9.413 -1.715 1.00 0.00 N ATOM 0 H GLN A 12 -5.226 6.072 0.429 1.00 0.00 H new ATOM 0 HA GLN A 12 -3.840 7.764 -1.364 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.676 8.303 0.993 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -5.088 9.557 -0.080 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -6.162 8.411 -2.005 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -6.753 7.161 -0.928 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -8.197 9.112 -2.655 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -9.283 9.990 -1.573 1.00 0.00 H new ATOM 214 N ALA A 13 -2.749 7.630 1.711 1.00 0.00 N ATOM 215 CA ALA A 13 -1.620 7.977 2.562 1.00 0.00 C ATOM 216 C ALA A 13 -0.314 7.544 1.907 1.00 0.00 C ATOM 217 O ALA A 13 0.634 8.320 1.831 1.00 0.00 O ATOM 218 CB ALA A 13 -1.766 7.340 3.934 1.00 0.00 C ATOM 0 H ALA A 13 -3.377 6.932 2.109 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.603 9.059 2.690 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.912 7.612 4.554 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.683 7.695 4.404 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.808 6.256 3.829 1.00 0.00 H new ATOM 224 N LEU A 14 -0.282 6.304 1.427 1.00 0.00 N ATOM 225 CA LEU A 14 0.866 5.789 0.683 1.00 0.00 C ATOM 226 C LEU A 14 1.122 6.637 -0.558 1.00 0.00 C ATOM 227 O LEU A 14 2.263 6.993 -0.863 1.00 0.00 O ATOM 228 CB LEU A 14 0.621 4.337 0.269 1.00 0.00 C ATOM 229 CG LEU A 14 0.566 3.331 1.418 1.00 0.00 C ATOM 230 CD1 LEU A 14 0.060 1.987 0.921 1.00 0.00 C ATOM 231 CD2 LEU A 14 1.939 3.175 2.052 1.00 0.00 C ATOM 0 H LEU A 14 -1.042 5.633 1.540 1.00 0.00 H new ATOM 0 HA LEU A 14 1.741 5.835 1.331 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.319 4.287 -0.281 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.410 4.035 -0.419 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.125 3.706 2.173 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.027 1.281 1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.941 2.106 0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.731 1.608 0.150 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.883 2.455 2.869 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.647 2.820 1.303 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.272 4.138 2.439 1.00 0.00 H new ATOM 243 N GLU A 15 0.042 6.954 -1.264 1.00 0.00 N ATOM 244 CA GLU A 15 0.103 7.799 -2.448 1.00 0.00 C ATOM 245 C GLU A 15 0.724 9.152 -2.111 1.00 0.00 C ATOM 246 O GLU A 15 1.684 9.583 -2.750 1.00 0.00 O ATOM 247 CB GLU A 15 -1.306 7.996 -3.009 1.00 0.00 C ATOM 248 CG GLU A 15 -1.357 8.819 -4.283 1.00 0.00 C ATOM 249 CD GLU A 15 -2.775 9.126 -4.713 1.00 0.00 C ATOM 250 OE1 GLU A 15 -3.504 8.185 -5.087 1.00 0.00 O ATOM 251 OE2 GLU A 15 -3.170 10.311 -4.676 1.00 0.00 O ATOM 0 H GLU A 15 -0.898 6.633 -1.031 1.00 0.00 H new ATOM 0 HA GLU A 15 0.727 7.311 -3.197 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.748 7.019 -3.203 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.922 8.480 -2.252 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.816 9.753 -4.131 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.846 8.280 -5.081 1.00 0.00 H new ATOM 258 N ALA A 16 0.173 9.805 -1.092 1.00 0.00 N ATOM 259 CA ALA A 16 0.635 11.122 -0.672 1.00 0.00 C ATOM 260 C ALA A 16 2.072 11.077 -0.169 1.00 0.00 C ATOM 261 O ALA A 16 2.867 11.958 -0.482 1.00 0.00 O ATOM 262 CB ALA A 16 -0.281 11.687 0.402 1.00 0.00 C ATOM 0 H ALA A 16 -0.601 9.438 -0.538 1.00 0.00 H new ATOM 0 HA ALA A 16 0.607 11.776 -1.544 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.077 12.671 0.705 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.293 11.775 0.007 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.285 11.021 1.265 1.00 0.00 H new ATOM 268 N LEU A 17 2.400 10.046 0.604 1.00 0.00 N ATOM 269 CA LEU A 17 3.748 9.881 1.143 1.00 0.00 C ATOM 270 C LEU A 17 4.768 9.884 0.008 1.00 0.00 C ATOM 271 O LEU A 17 5.751 10.625 0.038 1.00 0.00 O ATOM 272 CB LEU A 17 3.832 8.574 1.953 1.00 0.00 C ATOM 273 CG LEU A 17 5.104 8.367 2.794 1.00 0.00 C ATOM 274 CD1 LEU A 17 4.837 7.367 3.905 1.00 0.00 C ATOM 275 CD2 LEU A 17 6.263 7.880 1.934 1.00 0.00 C ATOM 0 H LEU A 17 1.748 9.309 0.873 1.00 0.00 H new ATOM 0 HA LEU A 17 3.975 10.714 1.809 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.971 8.530 2.620 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.741 7.737 1.260 1.00 0.00 H new ATOM 0 HG LEU A 17 5.379 9.329 3.227 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.743 7.227 4.494 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.040 7.741 4.548 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.536 6.413 3.472 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.147 7.743 2.558 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.997 6.931 1.469 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.476 8.617 1.159 1.00 0.00 H new ATOM 287 N LEU A 18 4.512 9.071 -1.003 1.00 0.00 N ATOM 288 CA LEU A 18 5.402 8.983 -2.147 1.00 0.00 C ATOM 289 C LEU A 18 5.334 10.243 -2.995 1.00 0.00 C ATOM 290 O LEU A 18 6.334 10.653 -3.567 1.00 0.00 O ATOM 291 CB LEU A 18 5.065 7.753 -2.982 1.00 0.00 C ATOM 292 CG LEU A 18 5.498 6.431 -2.352 1.00 0.00 C ATOM 293 CD1 LEU A 18 4.897 5.258 -3.103 1.00 0.00 C ATOM 294 CD2 LEU A 18 7.018 6.335 -2.337 1.00 0.00 C ATOM 0 H LEU A 18 3.695 8.463 -1.054 1.00 0.00 H new ATOM 0 HA LEU A 18 6.423 8.887 -1.778 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.989 7.726 -3.151 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.539 7.850 -3.959 1.00 0.00 H new ATOM 0 HG LEU A 18 5.134 6.397 -1.325 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.218 4.326 -2.638 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.809 5.324 -3.071 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.231 5.280 -4.140 1.00 0.00 H new ATOM 0 HD21 LEU A 18 7.318 5.389 -1.886 1.00 0.00 H new ATOM 0 HD22 LEU A 18 7.396 6.386 -3.358 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.429 7.161 -1.756 1.00 0.00 H new ATOM 306 N ARG A 19 4.159 10.857 -3.053 1.00 0.00 N ATOM 307 CA ARG A 19 3.970 12.098 -3.799 1.00 0.00 C ATOM 308 C ARG A 19 4.844 13.211 -3.223 1.00 0.00 C ATOM 309 O ARG A 19 5.475 13.968 -3.961 1.00 0.00 O ATOM 310 CB ARG A 19 2.502 12.525 -3.754 1.00 0.00 C ATOM 311 CG ARG A 19 2.196 13.774 -4.565 1.00 0.00 C ATOM 312 CD ARG A 19 0.815 14.315 -4.241 1.00 0.00 C ATOM 313 NE ARG A 19 0.718 14.748 -2.846 1.00 0.00 N ATOM 314 CZ ARG A 19 -0.385 14.652 -2.105 1.00 0.00 C ATOM 315 NH1 ARG A 19 -1.492 14.116 -2.606 1.00 0.00 N ATOM 316 NH2 ARG A 19 -0.372 15.086 -0.852 1.00 0.00 N ATOM 0 H ARG A 19 3.317 10.515 -2.590 1.00 0.00 H new ATOM 0 HA ARG A 19 4.262 11.920 -4.834 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.884 11.705 -4.121 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.217 12.699 -2.717 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.946 14.537 -4.359 1.00 0.00 H new ATOM 0 HG3 ARG A 19 2.259 13.545 -5.629 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.589 15.154 -4.899 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.068 13.546 -4.436 1.00 0.00 H new ATOM 0 HE ARG A 19 1.550 15.150 -2.413 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.503 13.773 -3.567 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.331 14.047 -2.030 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.479 15.490 -0.461 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.213 15.016 -0.279 1.00 0.00 H new ATOM 330 N GLU A 20 4.881 13.303 -1.898 1.00 0.00 N ATOM 331 CA GLU A 20 5.674 14.325 -1.226 1.00 0.00 C ATOM 332 C GLU A 20 7.161 14.006 -1.338 1.00 0.00 C ATOM 333 O GLU A 20 8.014 14.881 -1.192 1.00 0.00 O ATOM 334 CB GLU A 20 5.265 14.443 0.243 1.00 0.00 C ATOM 335 CG GLU A 20 3.787 14.741 0.441 1.00 0.00 C ATOM 336 CD GLU A 20 3.323 15.952 -0.343 1.00 0.00 C ATOM 337 OE1 GLU A 20 3.506 17.085 0.143 1.00 0.00 O ATOM 338 OE2 GLU A 20 2.769 15.777 -1.448 1.00 0.00 O ATOM 0 H GLU A 20 4.371 12.683 -1.269 1.00 0.00 H new ATOM 0 HA GLU A 20 5.486 15.281 -1.715 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.512 13.513 0.756 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.852 15.232 0.713 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.202 13.872 0.139 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.592 14.904 1.501 1.00 0.00 H new ATOM 345 N HIS A 21 7.462 12.743 -1.600 1.00 0.00 N ATOM 346 CA HIS A 21 8.832 12.306 -1.829 1.00 0.00 C ATOM 347 C HIS A 21 9.057 12.067 -3.320 1.00 0.00 C ATOM 348 O HIS A 21 9.928 11.291 -3.721 1.00 0.00 O ATOM 349 CB HIS A 21 9.139 11.043 -1.017 1.00 0.00 C ATOM 350 CG HIS A 21 9.262 11.301 0.456 1.00 0.00 C ATOM 351 ND1 HIS A 21 10.421 11.759 1.042 1.00 0.00 N ATOM 352 CD2 HIS A 21 8.363 11.172 1.463 1.00 0.00 C ATOM 353 CE1 HIS A 21 10.232 11.899 2.341 1.00 0.00 C ATOM 354 NE2 HIS A 21 8.993 11.552 2.623 1.00 0.00 N ATOM 0 H HIS A 21 6.769 11.997 -1.660 1.00 0.00 H new ATOM 0 HA HIS A 21 9.514 13.088 -1.496 1.00 0.00 H new ATOM 0 HB2 HIS A 21 8.350 10.310 -1.186 1.00 0.00 H new ATOM 0 HB3 HIS A 21 10.067 10.602 -1.381 1.00 0.00 H new ATOM 0 HD2 HIS A 21 7.342 10.833 1.370 1.00 0.00 H new ATOM 0 HE1 HIS A 21 10.969 12.241 3.053 1.00 0.00 H new ATOM 0 HE2 HIS A 21 8.570 11.564 3.551 1.00 0.00 H new ATOM 363 N GLN A 22 8.253 12.764 -4.123 1.00 0.00 N ATOM 364 CA GLN A 22 8.331 12.730 -5.583 1.00 0.00 C ATOM 365 C GLN A 22 8.027 11.341 -6.140 1.00 0.00 C ATOM 366 O GLN A 22 6.861 11.000 -6.308 1.00 0.00 O ATOM 367 CB GLN A 22 9.692 13.242 -6.071 1.00 0.00 C ATOM 368 CG GLN A 22 10.054 14.599 -5.494 1.00 0.00 C ATOM 369 CD GLN A 22 11.378 15.125 -6.000 1.00 0.00 C ATOM 370 OE1 GLN A 22 12.278 14.362 -6.356 1.00 0.00 O ATOM 371 NE2 GLN A 22 11.511 16.439 -6.017 1.00 0.00 N ATOM 0 H GLN A 22 7.518 13.378 -3.772 1.00 0.00 H new ATOM 0 HA GLN A 22 7.561 13.400 -5.965 1.00 0.00 H new ATOM 0 HB2 GLN A 22 10.464 12.521 -5.802 1.00 0.00 H new ATOM 0 HB3 GLN A 22 9.681 13.306 -7.159 1.00 0.00 H new ATOM 0 HG2 GLN A 22 9.268 15.313 -5.740 1.00 0.00 H new ATOM 0 HG3 GLN A 22 10.090 14.527 -4.407 1.00 0.00 H new ATOM 0 HE21 GLN A 22 10.740 17.034 -5.713 1.00 0.00 H new ATOM 0 HE22 GLN A 22 12.385 16.859 -6.334 1.00 0.00 H new ATOM 380 N HIS A 23 9.081 10.547 -6.371 1.00 0.00 N ATOM 381 CA HIS A 23 8.988 9.228 -7.007 1.00 0.00 C ATOM 382 C HIS A 23 7.862 9.136 -8.034 1.00 0.00 C ATOM 383 O HIS A 23 8.033 9.532 -9.182 1.00 0.00 O ATOM 384 CB HIS A 23 8.819 8.135 -5.951 1.00 0.00 C ATOM 385 CG HIS A 23 10.109 7.577 -5.442 1.00 0.00 C ATOM 386 ND1 HIS A 23 10.649 6.401 -5.909 1.00 0.00 N ATOM 387 CD2 HIS A 23 10.958 8.028 -4.491 1.00 0.00 C ATOM 388 CE1 HIS A 23 11.771 6.148 -5.267 1.00 0.00 C ATOM 389 NE2 HIS A 23 11.985 7.121 -4.400 1.00 0.00 N ATOM 0 H HIS A 23 10.034 10.807 -6.118 1.00 0.00 H new ATOM 0 HA HIS A 23 9.924 9.080 -7.545 1.00 0.00 H new ATOM 0 HB2 HIS A 23 8.253 8.539 -5.112 1.00 0.00 H new ATOM 0 HB3 HIS A 23 8.226 7.324 -6.374 1.00 0.00 H new ATOM 0 HD2 HIS A 23 10.849 8.933 -3.911 1.00 0.00 H new ATOM 0 HE1 HIS A 23 12.408 5.290 -5.423 1.00 0.00 H new ATOM 0 HE2 HIS A 23 12.782 7.188 -3.767 1.00 0.00 H new ATOM 398 N TRP A 24 6.715 8.649 -7.549 1.00 0.00 N ATOM 399 CA TRP A 24 5.499 8.372 -8.332 1.00 0.00 C ATOM 400 C TRP A 24 5.751 8.174 -9.830 1.00 0.00 C ATOM 401 O TRP A 24 5.984 7.056 -10.287 1.00 0.00 O ATOM 402 CB TRP A 24 4.453 9.471 -8.103 1.00 0.00 C ATOM 403 CG TRP A 24 3.085 9.101 -8.598 1.00 0.00 C ATOM 404 CD1 TRP A 24 2.434 9.629 -9.675 1.00 0.00 C ATOM 405 CD2 TRP A 24 2.201 8.117 -8.038 1.00 0.00 C ATOM 406 NE1 TRP A 24 1.202 9.037 -9.819 1.00 0.00 N ATOM 407 CE2 TRP A 24 1.035 8.108 -8.828 1.00 0.00 C ATOM 408 CE3 TRP A 24 2.280 7.243 -6.948 1.00 0.00 C ATOM 409 CZ2 TRP A 24 -0.039 7.263 -8.563 1.00 0.00 C ATOM 410 CZ3 TRP A 24 1.212 6.406 -6.687 1.00 0.00 C ATOM 411 CH2 TRP A 24 0.067 6.420 -7.492 1.00 0.00 C ATOM 0 H TRP A 24 6.600 8.427 -6.560 1.00 0.00 H new ATOM 0 HA TRP A 24 5.119 7.418 -7.967 1.00 0.00 H new ATOM 0 HB2 TRP A 24 4.398 9.694 -7.038 1.00 0.00 H new ATOM 0 HB3 TRP A 24 4.779 10.383 -8.604 1.00 0.00 H new ATOM 0 HD1 TRP A 24 2.829 10.400 -10.320 1.00 0.00 H new ATOM 0 HE1 TRP A 24 0.522 9.255 -10.547 1.00 0.00 H new ATOM 0 HE3 TRP A 24 3.160 7.223 -6.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -0.924 7.273 -9.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 1.262 5.729 -5.847 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -0.749 5.751 -7.262 1.00 0.00 H new ATOM 422 N ARG A 25 5.712 9.262 -10.587 1.00 0.00 N ATOM 423 CA ARG A 25 5.819 9.187 -12.032 1.00 0.00 C ATOM 424 C ARG A 25 7.277 9.157 -12.470 1.00 0.00 C ATOM 425 O ARG A 25 7.943 10.194 -12.522 1.00 0.00 O ATOM 426 CB ARG A 25 5.092 10.372 -12.679 1.00 0.00 C ATOM 427 CG ARG A 25 5.061 10.321 -14.198 1.00 0.00 C ATOM 428 CD ARG A 25 4.260 11.477 -14.771 1.00 0.00 C ATOM 429 NE ARG A 25 4.209 11.447 -16.233 1.00 0.00 N ATOM 430 CZ ARG A 25 3.104 11.680 -16.945 1.00 0.00 C ATOM 431 NH1 ARG A 25 1.945 11.893 -16.329 1.00 0.00 N ATOM 432 NH2 ARG A 25 3.154 11.695 -18.272 1.00 0.00 N ATOM 0 H ARG A 25 5.607 10.208 -10.220 1.00 0.00 H new ATOM 0 HA ARG A 25 5.348 8.261 -12.361 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.069 10.405 -12.305 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.576 11.297 -12.366 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.079 10.353 -14.586 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.625 9.377 -14.524 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.246 11.445 -14.374 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.701 12.419 -14.444 1.00 0.00 H new ATOM 0 HE ARG A 25 5.069 11.235 -16.738 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.899 11.879 -15.310 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.102 12.071 -16.875 1.00 0.00 H new ATOM 0 HH21 ARG A 25 4.039 11.528 -18.751 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.307 11.873 -18.812 1.00 0.00 H new ATOM 446 N ASN A 26 7.772 7.957 -12.752 1.00 0.00 N ATOM 447 CA ASN A 26 9.115 7.782 -13.289 1.00 0.00 C ATOM 448 C ASN A 26 9.238 8.525 -14.613 1.00 0.00 C ATOM 449 O ASN A 26 8.264 8.619 -15.368 1.00 0.00 O ATOM 450 CB ASN A 26 9.424 6.295 -13.508 1.00 0.00 C ATOM 451 CG ASN A 26 9.168 5.443 -12.276 1.00 0.00 C ATOM 452 OD1 ASN A 26 8.052 4.978 -12.060 1.00 0.00 O ATOM 453 ND2 ASN A 26 10.203 5.218 -11.476 1.00 0.00 N ATOM 0 H ASN A 26 7.259 7.086 -12.616 1.00 0.00 H new ATOM 0 HA ASN A 26 9.829 8.185 -12.571 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.817 5.922 -14.333 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.467 6.187 -13.806 1.00 0.00 H new ATOM 0 HD21 ASN A 26 10.088 4.639 -10.644 1.00 0.00 H new ATOM 0 HD22 ASN A 26 11.113 5.624 -11.693 1.00 0.00 H new ATOM 460 N ASP A 27 10.423 9.056 -14.894 1.00 0.00 N ATOM 461 CA ASP A 27 10.651 9.795 -16.134 1.00 0.00 C ATOM 462 C ASP A 27 10.443 8.874 -17.326 1.00 0.00 C ATOM 463 O ASP A 27 9.748 9.216 -18.285 1.00 0.00 O ATOM 464 CB ASP A 27 12.065 10.381 -16.165 1.00 0.00 C ATOM 465 CG ASP A 27 12.265 11.369 -17.303 1.00 0.00 C ATOM 466 OD1 ASP A 27 12.283 10.948 -18.477 1.00 0.00 O ATOM 467 OD2 ASP A 27 12.414 12.576 -17.022 1.00 0.00 O ATOM 0 H ASP A 27 11.238 8.990 -14.284 1.00 0.00 H new ATOM 0 HA ASP A 27 9.938 10.618 -16.184 1.00 0.00 H new ATOM 0 HB2 ASP A 27 12.269 10.879 -15.217 1.00 0.00 H new ATOM 0 HB3 ASP A 27 12.788 9.571 -16.261 1.00 0.00 H new ATOM 472 N GLU A 28 11.036 7.694 -17.247 1.00 0.00 N ATOM 473 CA GLU A 28 10.877 6.687 -18.278 1.00 0.00 C ATOM 474 C GLU A 28 10.325 5.401 -17.675 1.00 0.00 C ATOM 475 O GLU A 28 11.043 4.674 -16.982 1.00 0.00 O ATOM 476 CB GLU A 28 12.214 6.407 -18.971 1.00 0.00 C ATOM 477 CG GLU A 28 12.139 5.322 -20.037 1.00 0.00 C ATOM 478 CD GLU A 28 11.357 5.744 -21.266 1.00 0.00 C ATOM 479 OE1 GLU A 28 10.198 6.184 -21.125 1.00 0.00 O ATOM 480 OE2 GLU A 28 11.915 5.653 -22.381 1.00 0.00 O ATOM 0 H GLU A 28 11.636 7.411 -16.472 1.00 0.00 H new ATOM 0 HA GLU A 28 10.173 7.064 -19.020 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.575 7.328 -19.428 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.948 6.115 -18.220 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.150 5.045 -20.335 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.678 4.432 -19.609 1.00 0.00 H new ATOM 487 N PRO A 29 9.034 5.127 -17.890 1.00 0.00 N ATOM 488 CA PRO A 29 8.420 3.871 -17.470 1.00 0.00 C ATOM 489 C PRO A 29 8.970 2.702 -18.279 1.00 0.00 C ATOM 490 O PRO A 29 8.601 2.511 -19.438 1.00 0.00 O ATOM 491 CB PRO A 29 6.923 4.071 -17.751 1.00 0.00 C ATOM 492 CG PRO A 29 6.755 5.531 -18.018 1.00 0.00 C ATOM 493 CD PRO A 29 8.071 6.014 -18.550 1.00 0.00 C ATOM 0 HA PRO A 29 8.622 3.637 -16.425 1.00 0.00 H new ATOM 0 HB2 PRO A 29 6.602 3.477 -18.607 1.00 0.00 H new ATOM 0 HB3 PRO A 29 6.319 3.756 -16.900 1.00 0.00 H new ATOM 0 HG2 PRO A 29 5.956 5.705 -18.739 1.00 0.00 H new ATOM 0 HG3 PRO A 29 6.484 6.065 -17.107 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.123 5.931 -19.636 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.248 7.060 -18.301 1.00 0.00 H new ATOM 501 N GLN A 30 9.876 1.949 -17.673 1.00 0.00 N ATOM 502 CA GLN A 30 10.538 0.845 -18.356 1.00 0.00 C ATOM 503 C GLN A 30 9.539 -0.248 -18.719 1.00 0.00 C ATOM 504 O GLN A 30 8.918 -0.847 -17.843 1.00 0.00 O ATOM 505 CB GLN A 30 11.644 0.259 -17.477 1.00 0.00 C ATOM 506 CG GLN A 30 12.748 1.245 -17.129 1.00 0.00 C ATOM 507 CD GLN A 30 13.543 1.704 -18.339 1.00 0.00 C ATOM 508 OE1 GLN A 30 14.057 2.821 -18.368 1.00 0.00 O ATOM 509 NE2 GLN A 30 13.649 0.851 -19.346 1.00 0.00 N ATOM 0 H GLN A 30 10.171 2.082 -16.706 1.00 0.00 H new ATOM 0 HA GLN A 30 10.978 1.235 -19.274 1.00 0.00 H new ATOM 0 HB2 GLN A 30 11.200 -0.114 -16.554 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.084 -0.597 -17.988 1.00 0.00 H new ATOM 0 HG2 GLN A 30 12.309 2.114 -16.640 1.00 0.00 H new ATOM 0 HG3 GLN A 30 13.426 0.783 -16.411 1.00 0.00 H new ATOM 0 HE21 GLN A 30 13.209 -0.067 -19.285 1.00 0.00 H new ATOM 0 HE22 GLN A 30 14.171 1.112 -20.183 1.00 0.00 H new ATOM 518 N PRO A 31 9.372 -0.525 -20.018 1.00 0.00 N ATOM 519 CA PRO A 31 8.433 -1.542 -20.498 1.00 0.00 C ATOM 520 C PRO A 31 8.745 -2.933 -19.948 1.00 0.00 C ATOM 521 O PRO A 31 7.842 -3.745 -19.738 1.00 0.00 O ATOM 522 CB PRO A 31 8.605 -1.515 -22.023 1.00 0.00 C ATOM 523 CG PRO A 31 9.896 -0.813 -22.268 1.00 0.00 C ATOM 524 CD PRO A 31 10.071 0.145 -21.125 1.00 0.00 C ATOM 0 HA PRO A 31 7.414 -1.331 -20.172 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.624 -2.525 -22.433 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.777 -0.992 -22.502 1.00 0.00 H new ATOM 0 HG2 PRO A 31 10.723 -1.522 -22.313 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.878 -0.284 -23.221 1.00 0.00 H new ATOM 0 HD2 PRO A 31 11.124 0.311 -20.896 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.636 1.120 -21.346 1.00 0.00 H new ATOM 532 N HIS A 32 10.021 -3.198 -19.681 1.00 0.00 N ATOM 533 CA HIS A 32 10.440 -4.511 -19.207 1.00 0.00 C ATOM 534 C HIS A 32 9.977 -4.755 -17.771 1.00 0.00 C ATOM 535 O HIS A 32 9.940 -5.897 -17.315 1.00 0.00 O ATOM 536 CB HIS A 32 11.963 -4.672 -19.311 1.00 0.00 C ATOM 537 CG HIS A 32 12.433 -6.086 -19.131 1.00 0.00 C ATOM 538 ND1 HIS A 32 12.299 -7.052 -20.105 1.00 0.00 N ATOM 539 CD2 HIS A 32 13.025 -6.700 -18.080 1.00 0.00 C ATOM 540 CE1 HIS A 32 12.785 -8.194 -19.659 1.00 0.00 C ATOM 541 NE2 HIS A 32 13.232 -8.010 -18.434 1.00 0.00 N ATOM 0 H HIS A 32 10.779 -2.523 -19.785 1.00 0.00 H new ATOM 0 HA HIS A 32 9.969 -5.257 -19.848 1.00 0.00 H new ATOM 0 HB2 HIS A 32 12.292 -4.310 -20.285 1.00 0.00 H new ATOM 0 HB3 HIS A 32 12.438 -4.042 -18.559 1.00 0.00 H new ATOM 0 HD2 HIS A 32 13.286 -6.243 -17.137 1.00 0.00 H new ATOM 0 HE1 HIS A 32 12.812 -9.124 -20.207 1.00 0.00 H new ATOM 0 HE2 HIS A 32 13.661 -8.724 -17.845 1.00 0.00 H new ATOM 550 N GLN A 33 9.609 -3.685 -17.066 1.00 0.00 N ATOM 551 CA GLN A 33 9.110 -3.812 -15.698 1.00 0.00 C ATOM 552 C GLN A 33 7.868 -4.690 -15.669 1.00 0.00 C ATOM 553 O GLN A 33 7.771 -5.614 -14.868 1.00 0.00 O ATOM 554 CB GLN A 33 8.798 -2.437 -15.099 1.00 0.00 C ATOM 555 CG GLN A 33 10.018 -1.541 -14.950 1.00 0.00 C ATOM 556 CD GLN A 33 9.675 -0.169 -14.398 1.00 0.00 C ATOM 557 OE1 GLN A 33 8.576 0.344 -14.607 1.00 0.00 O ATOM 558 NE2 GLN A 33 10.621 0.442 -13.703 1.00 0.00 N ATOM 0 H GLN A 33 9.647 -2.728 -17.417 1.00 0.00 H new ATOM 0 HA GLN A 33 9.888 -4.279 -15.095 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.065 -1.934 -15.729 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.337 -2.573 -14.121 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.739 -2.023 -14.290 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.500 -1.427 -15.921 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.519 -0.017 -13.551 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.452 1.372 -13.319 1.00 0.00 H new ATOM 567 N PHE A 34 6.938 -4.420 -16.576 1.00 0.00 N ATOM 568 CA PHE A 34 5.700 -5.185 -16.650 1.00 0.00 C ATOM 569 C PHE A 34 5.906 -6.487 -17.423 1.00 0.00 C ATOM 570 O PHE A 34 5.054 -7.376 -17.394 1.00 0.00 O ATOM 571 CB PHE A 34 4.593 -4.355 -17.304 1.00 0.00 C ATOM 572 CG PHE A 34 4.204 -3.134 -16.512 1.00 0.00 C ATOM 573 CD1 PHE A 34 3.238 -3.215 -15.521 1.00 0.00 C ATOM 574 CD2 PHE A 34 4.804 -1.909 -16.758 1.00 0.00 C ATOM 575 CE1 PHE A 34 2.879 -2.096 -14.790 1.00 0.00 C ATOM 576 CE2 PHE A 34 4.449 -0.789 -16.032 1.00 0.00 C ATOM 577 CZ PHE A 34 3.485 -0.882 -15.046 1.00 0.00 C ATOM 0 H PHE A 34 7.017 -3.677 -17.271 1.00 0.00 H new ATOM 0 HA PHE A 34 5.399 -5.433 -15.632 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.922 -4.044 -18.296 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.713 -4.983 -17.442 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.760 -4.162 -15.317 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.558 -1.829 -17.527 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.126 -2.172 -14.020 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.925 0.159 -16.235 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.206 -0.007 -14.477 1.00 0.00 H new ATOM 587 N ASN A 35 7.035 -6.599 -18.115 1.00 0.00 N ATOM 588 CA ASN A 35 7.346 -7.811 -18.872 1.00 0.00 C ATOM 589 C ASN A 35 7.941 -8.873 -17.963 1.00 0.00 C ATOM 590 O ASN A 35 7.834 -10.065 -18.241 1.00 0.00 O ATOM 591 CB ASN A 35 8.284 -7.512 -20.047 1.00 0.00 C ATOM 592 CG ASN A 35 7.590 -6.745 -21.159 1.00 0.00 C ATOM 593 OD1 ASN A 35 6.378 -6.862 -21.352 1.00 0.00 O ATOM 594 ND2 ASN A 35 8.353 -5.972 -21.913 1.00 0.00 N ATOM 0 H ASN A 35 7.747 -5.871 -18.169 1.00 0.00 H new ATOM 0 HA ASN A 35 6.413 -8.194 -19.284 1.00 0.00 H new ATOM 0 HB2 ASN A 35 9.138 -6.936 -19.690 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.675 -8.449 -20.444 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.942 -5.447 -22.685 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.353 -5.900 -21.723 1.00 0.00 H new ATOM 601 N SER A 36 8.571 -8.445 -16.880 1.00 0.00 N ATOM 602 CA SER A 36 8.898 -9.365 -15.808 1.00 0.00 C ATOM 603 C SER A 36 7.636 -9.572 -14.982 1.00 0.00 C ATOM 604 O SER A 36 7.472 -8.984 -13.912 1.00 0.00 O ATOM 605 CB SER A 36 10.026 -8.822 -14.935 1.00 0.00 C ATOM 606 OG SER A 36 11.112 -8.359 -15.723 1.00 0.00 O ATOM 0 H SER A 36 8.862 -7.480 -16.723 1.00 0.00 H new ATOM 0 HA SER A 36 9.247 -10.310 -16.223 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.650 -8.007 -14.316 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.372 -9.603 -14.258 1.00 0.00 H new ATOM 0 HG SER A 36 10.844 -7.549 -16.206 1.00 0.00 H new ATOM 612 N THR A 37 6.741 -10.396 -15.503 1.00 0.00 N ATOM 613 CA THR A 37 5.384 -10.479 -15.013 1.00 0.00 C ATOM 614 C THR A 37 5.296 -11.344 -13.759 1.00 0.00 C ATOM 615 O THR A 37 4.794 -12.470 -13.767 1.00 0.00 O ATOM 616 CB THR A 37 4.434 -10.990 -16.119 1.00 0.00 C ATOM 617 OG1 THR A 37 4.559 -10.154 -17.282 1.00 0.00 O ATOM 618 CG2 THR A 37 2.983 -10.987 -15.652 1.00 0.00 C ATOM 0 H THR A 37 6.941 -11.026 -16.280 1.00 0.00 H new ATOM 0 HA THR A 37 5.065 -9.475 -14.734 1.00 0.00 H new ATOM 0 HB THR A 37 4.715 -12.016 -16.358 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.729 -9.230 -17.004 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.342 -11.352 -16.454 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.880 -11.635 -14.782 1.00 0.00 H new ATOM 0 HG23 THR A 37 2.689 -9.972 -15.386 1.00 0.00 H new ATOM 626 N GLN A 38 5.872 -10.812 -12.700 1.00 0.00 N ATOM 627 CA GLN A 38 5.700 -11.350 -11.364 1.00 0.00 C ATOM 628 C GLN A 38 4.659 -10.520 -10.628 1.00 0.00 C ATOM 629 O GLN A 38 4.369 -9.400 -11.042 1.00 0.00 O ATOM 630 CB GLN A 38 7.012 -11.307 -10.584 1.00 0.00 C ATOM 631 CG GLN A 38 8.125 -12.149 -11.173 1.00 0.00 C ATOM 632 CD GLN A 38 9.349 -12.141 -10.288 1.00 0.00 C ATOM 633 OE1 GLN A 38 9.598 -11.169 -9.580 1.00 0.00 O ATOM 634 NE2 GLN A 38 10.119 -13.212 -10.317 1.00 0.00 N ATOM 0 H GLN A 38 6.475 -9.991 -12.741 1.00 0.00 H new ATOM 0 HA GLN A 38 5.377 -12.388 -11.445 1.00 0.00 H new ATOM 0 HB2 GLN A 38 7.350 -10.272 -10.524 1.00 0.00 H new ATOM 0 HB3 GLN A 38 6.824 -11.640 -9.563 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.777 -13.173 -11.306 1.00 0.00 H new ATOM 0 HG3 GLN A 38 8.386 -11.770 -12.161 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.876 -13.998 -10.919 1.00 0.00 H new ATOM 0 HE22 GLN A 38 10.957 -13.254 -9.737 1.00 0.00 H new ATOM 643 N PRO A 39 4.099 -11.035 -9.522 1.00 0.00 N ATOM 644 CA PRO A 39 3.116 -10.297 -8.720 1.00 0.00 C ATOM 645 C PRO A 39 3.629 -8.933 -8.256 1.00 0.00 C ATOM 646 O PRO A 39 2.847 -8.004 -8.072 1.00 0.00 O ATOM 647 CB PRO A 39 2.870 -11.211 -7.517 1.00 0.00 C ATOM 648 CG PRO A 39 3.224 -12.574 -7.996 1.00 0.00 C ATOM 649 CD PRO A 39 4.341 -12.389 -8.984 1.00 0.00 C ATOM 0 HA PRO A 39 2.218 -10.076 -9.297 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.485 -10.919 -6.666 1.00 0.00 H new ATOM 0 HB3 PRO A 39 1.831 -11.164 -7.190 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.537 -13.210 -7.168 1.00 0.00 H new ATOM 0 HG3 PRO A 39 2.366 -13.058 -8.463 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.318 -12.463 -8.505 1.00 0.00 H new ATOM 0 HD3 PRO A 39 4.313 -13.145 -9.769 1.00 0.00 H new ATOM 657 N PHE A 40 4.945 -8.818 -8.074 1.00 0.00 N ATOM 658 CA PHE A 40 5.546 -7.565 -7.616 1.00 0.00 C ATOM 659 C PHE A 40 6.552 -7.027 -8.632 1.00 0.00 C ATOM 660 O PHE A 40 7.189 -6.005 -8.388 1.00 0.00 O ATOM 661 CB PHE A 40 6.273 -7.750 -6.280 1.00 0.00 C ATOM 662 CG PHE A 40 5.510 -8.494 -5.226 1.00 0.00 C ATOM 663 CD1 PHE A 40 5.536 -9.878 -5.185 1.00 0.00 C ATOM 664 CD2 PHE A 40 4.800 -7.813 -4.256 1.00 0.00 C ATOM 665 CE1 PHE A 40 4.866 -10.567 -4.197 1.00 0.00 C ATOM 666 CE2 PHE A 40 4.123 -8.497 -3.267 1.00 0.00 C ATOM 667 CZ PHE A 40 4.158 -9.877 -3.239 1.00 0.00 C ATOM 0 H PHE A 40 5.612 -9.573 -8.236 1.00 0.00 H new ATOM 0 HA PHE A 40 4.727 -6.856 -7.496 1.00 0.00 H new ATOM 0 HB2 PHE A 40 7.209 -8.277 -6.466 1.00 0.00 H new ATOM 0 HB3 PHE A 40 6.533 -6.766 -5.889 1.00 0.00 H new ATOM 0 HD1 PHE A 40 6.088 -10.424 -5.936 1.00 0.00 H new ATOM 0 HD2 PHE A 40 4.775 -6.733 -4.272 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.896 -11.646 -4.174 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.567 -7.954 -2.517 1.00 0.00 H new ATOM 0 HZ PHE A 40 3.630 -10.415 -2.466 1.00 0.00 H new ATOM 677 N PHE A 41 6.702 -7.727 -9.763 1.00 0.00 N ATOM 678 CA PHE A 41 7.695 -7.363 -10.789 1.00 0.00 C ATOM 679 C PHE A 41 9.106 -7.324 -10.194 1.00 0.00 C ATOM 680 O PHE A 41 9.945 -6.512 -10.590 1.00 0.00 O ATOM 681 CB PHE A 41 7.348 -6.004 -11.409 1.00 0.00 C ATOM 682 CG PHE A 41 5.931 -5.924 -11.914 1.00 0.00 C ATOM 683 CD1 PHE A 41 5.542 -6.631 -13.043 1.00 0.00 C ATOM 684 CD2 PHE A 41 4.988 -5.156 -11.252 1.00 0.00 C ATOM 685 CE1 PHE A 41 4.240 -6.567 -13.501 1.00 0.00 C ATOM 686 CE2 PHE A 41 3.684 -5.092 -11.705 1.00 0.00 C ATOM 687 CZ PHE A 41 3.310 -5.798 -12.831 1.00 0.00 C ATOM 0 H PHE A 41 6.148 -8.552 -9.994 1.00 0.00 H new ATOM 0 HA PHE A 41 7.671 -8.124 -11.569 1.00 0.00 H new ATOM 0 HB2 PHE A 41 7.506 -5.222 -10.666 1.00 0.00 H new ATOM 0 HB3 PHE A 41 8.032 -5.803 -12.233 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.264 -7.237 -13.569 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.275 -4.601 -10.371 1.00 0.00 H new ATOM 0 HE1 PHE A 41 3.950 -7.119 -14.383 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.958 -4.490 -11.179 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.292 -5.749 -13.187 1.00 0.00 H new ATOM 697 N MET A 42 9.372 -8.255 -9.282 1.00 0.00 N ATOM 698 CA MET A 42 10.604 -8.257 -8.489 1.00 0.00 C ATOM 699 C MET A 42 11.816 -8.668 -9.313 1.00 0.00 C ATOM 700 O MET A 42 12.956 -8.446 -8.908 1.00 0.00 O ATOM 701 CB MET A 42 10.461 -9.223 -7.314 1.00 0.00 C ATOM 702 CG MET A 42 9.239 -8.953 -6.466 1.00 0.00 C ATOM 703 SD MET A 42 8.977 -10.181 -5.175 1.00 0.00 S ATOM 704 CE MET A 42 8.426 -11.595 -6.126 1.00 0.00 C ATOM 0 H MET A 42 8.743 -9.029 -9.070 1.00 0.00 H new ATOM 0 HA MET A 42 10.760 -7.238 -8.134 1.00 0.00 H new ATOM 0 HB2 MET A 42 10.413 -10.243 -7.695 1.00 0.00 H new ATOM 0 HB3 MET A 42 11.351 -9.158 -6.688 1.00 0.00 H new ATOM 0 HG2 MET A 42 9.335 -7.969 -6.007 1.00 0.00 H new ATOM 0 HG3 MET A 42 8.360 -8.920 -7.109 1.00 0.00 H new ATOM 0 HE1 MET A 42 7.838 -12.255 -5.489 1.00 0.00 H new ATOM 0 HE2 MET A 42 7.812 -11.255 -6.961 1.00 0.00 H new ATOM 0 HE3 MET A 42 9.292 -12.136 -6.509 1.00 0.00 H new ATOM 714 N ASP A 43 11.573 -9.284 -10.457 1.00 0.00 N ATOM 715 CA ASP A 43 12.655 -9.814 -11.271 1.00 0.00 C ATOM 716 C ASP A 43 13.287 -8.710 -12.110 1.00 0.00 C ATOM 717 O ASP A 43 14.326 -8.906 -12.736 1.00 0.00 O ATOM 718 CB ASP A 43 12.141 -10.939 -12.171 1.00 0.00 C ATOM 719 CG ASP A 43 13.225 -11.938 -12.522 1.00 0.00 C ATOM 720 OD1 ASP A 43 13.448 -12.878 -11.730 1.00 0.00 O ATOM 721 OD2 ASP A 43 13.847 -11.805 -13.591 1.00 0.00 O ATOM 0 H ASP A 43 10.640 -9.430 -10.843 1.00 0.00 H new ATOM 0 HA ASP A 43 13.418 -10.219 -10.607 1.00 0.00 H new ATOM 0 HB2 ASP A 43 11.322 -11.456 -11.670 1.00 0.00 H new ATOM 0 HB3 ASP A 43 11.735 -10.511 -13.087 1.00 0.00 H new ATOM 726 N THR A 44 12.656 -7.545 -12.118 1.00 0.00 N ATOM 727 CA THR A 44 13.171 -6.412 -12.867 1.00 0.00 C ATOM 728 C THR A 44 14.005 -5.503 -11.974 1.00 0.00 C ATOM 729 O THR A 44 15.070 -5.026 -12.370 1.00 0.00 O ATOM 730 CB THR A 44 12.029 -5.584 -13.480 1.00 0.00 C ATOM 731 OG1 THR A 44 10.824 -6.359 -13.502 1.00 0.00 O ATOM 732 CG2 THR A 44 12.383 -5.164 -14.896 1.00 0.00 C ATOM 0 H THR A 44 11.788 -7.361 -11.615 1.00 0.00 H new ATOM 0 HA THR A 44 13.794 -6.815 -13.665 1.00 0.00 H new ATOM 0 HB THR A 44 11.880 -4.693 -12.870 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.436 -6.386 -12.602 1.00 0.00 H new ATOM 0 HG21 THR A 44 11.565 -4.579 -15.317 1.00 0.00 H new ATOM 0 HG22 THR A 44 13.291 -4.561 -14.880 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.547 -6.051 -15.508 1.00 0.00 H new ATOM 740 N MET A 45 13.518 -5.285 -10.761 1.00 0.00 N ATOM 741 CA MET A 45 14.141 -4.353 -9.838 1.00 0.00 C ATOM 742 C MET A 45 13.600 -4.609 -8.435 1.00 0.00 C ATOM 743 O MET A 45 12.797 -5.524 -8.250 1.00 0.00 O ATOM 744 CB MET A 45 13.846 -2.919 -10.289 1.00 0.00 C ATOM 745 CG MET A 45 14.947 -1.928 -9.946 1.00 0.00 C ATOM 746 SD MET A 45 14.770 -0.357 -10.814 1.00 0.00 S ATOM 747 CE MET A 45 13.237 0.246 -10.113 1.00 0.00 C ATOM 0 H MET A 45 12.686 -5.746 -10.393 1.00 0.00 H new ATOM 0 HA MET A 45 15.222 -4.493 -9.827 1.00 0.00 H new ATOM 0 HB2 MET A 45 13.688 -2.913 -11.367 1.00 0.00 H new ATOM 0 HB3 MET A 45 12.915 -2.588 -9.828 1.00 0.00 H new ATOM 0 HG2 MET A 45 14.944 -1.746 -8.871 1.00 0.00 H new ATOM 0 HG3 MET A 45 15.914 -2.367 -10.192 1.00 0.00 H new ATOM 0 HE1 MET A 45 12.449 0.198 -10.865 1.00 0.00 H new ATOM 0 HE2 MET A 45 12.961 -0.371 -9.258 1.00 0.00 H new ATOM 0 HE3 MET A 45 13.366 1.279 -9.789 1.00 0.00 H new ATOM 757 N GLU A 46 14.028 -3.821 -7.453 1.00 0.00 N ATOM 758 CA GLU A 46 13.576 -4.025 -6.082 1.00 0.00 C ATOM 759 C GLU A 46 12.088 -3.712 -5.956 1.00 0.00 C ATOM 760 O GLU A 46 11.577 -2.804 -6.619 1.00 0.00 O ATOM 761 CB GLU A 46 14.383 -3.184 -5.078 1.00 0.00 C ATOM 762 CG GLU A 46 14.188 -1.674 -5.185 1.00 0.00 C ATOM 763 CD GLU A 46 14.944 -1.052 -6.339 1.00 0.00 C ATOM 764 OE1 GLU A 46 16.167 -1.296 -6.451 1.00 0.00 O ATOM 765 OE2 GLU A 46 14.333 -0.300 -7.124 1.00 0.00 O ATOM 0 H GLU A 46 14.679 -3.045 -7.579 1.00 0.00 H new ATOM 0 HA GLU A 46 13.742 -5.075 -5.840 1.00 0.00 H new ATOM 0 HB2 GLU A 46 14.115 -3.498 -4.069 1.00 0.00 H new ATOM 0 HB3 GLU A 46 15.442 -3.407 -5.211 1.00 0.00 H new ATOM 0 HG2 GLU A 46 13.125 -1.459 -5.298 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.510 -1.206 -4.255 1.00 0.00 H new ATOM 772 N PRO A 47 11.366 -4.481 -5.128 1.00 0.00 N ATOM 773 CA PRO A 47 9.943 -4.255 -4.876 1.00 0.00 C ATOM 774 C PRO A 47 9.695 -2.945 -4.135 1.00 0.00 C ATOM 775 O PRO A 47 9.590 -2.919 -2.913 1.00 0.00 O ATOM 776 CB PRO A 47 9.518 -5.454 -4.016 1.00 0.00 C ATOM 777 CG PRO A 47 10.624 -6.447 -4.152 1.00 0.00 C ATOM 778 CD PRO A 47 11.869 -5.645 -4.386 1.00 0.00 C ATOM 0 HA PRO A 47 9.376 -4.174 -5.804 1.00 0.00 H new ATOM 0 HB2 PRO A 47 9.377 -5.162 -2.975 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.571 -5.870 -4.361 1.00 0.00 H new ATOM 0 HG2 PRO A 47 10.715 -7.056 -3.253 1.00 0.00 H new ATOM 0 HG3 PRO A 47 10.437 -7.129 -4.981 1.00 0.00 H new ATOM 0 HD2 PRO A 47 12.346 -5.354 -3.450 1.00 0.00 H new ATOM 0 HD3 PRO A 47 12.609 -6.203 -4.960 1.00 0.00 H new ATOM 786 N LEU A 48 9.650 -1.854 -4.886 1.00 0.00 N ATOM 787 CA LEU A 48 9.325 -0.549 -4.333 1.00 0.00 C ATOM 788 C LEU A 48 8.402 0.203 -5.279 1.00 0.00 C ATOM 789 O LEU A 48 7.352 0.700 -4.873 1.00 0.00 O ATOM 790 CB LEU A 48 10.596 0.269 -4.073 1.00 0.00 C ATOM 791 CG LEU A 48 10.356 1.685 -3.541 1.00 0.00 C ATOM 792 CD1 LEU A 48 9.610 1.641 -2.216 1.00 0.00 C ATOM 793 CD2 LEU A 48 11.670 2.428 -3.384 1.00 0.00 C ATOM 0 H LEU A 48 9.836 -1.849 -5.889 1.00 0.00 H new ATOM 0 HA LEU A 48 8.816 -0.698 -3.381 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.218 -0.271 -3.359 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.163 0.337 -5.002 1.00 0.00 H new ATOM 0 HG LEU A 48 9.742 2.221 -4.265 1.00 0.00 H new ATOM 0 HD11 LEU A 48 9.449 2.657 -1.855 1.00 0.00 H new ATOM 0 HD12 LEU A 48 8.647 1.149 -2.357 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.198 1.085 -1.486 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.477 3.432 -3.005 1.00 0.00 H new ATOM 0 HD22 LEU A 48 12.310 1.892 -2.683 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.168 2.495 -4.351 1.00 0.00 H new ATOM 805 N GLU A 49 8.789 0.255 -6.550 1.00 0.00 N ATOM 806 CA GLU A 49 7.996 0.926 -7.578 1.00 0.00 C ATOM 807 C GLU A 49 6.625 0.263 -7.713 1.00 0.00 C ATOM 808 O GLU A 49 5.657 0.894 -8.120 1.00 0.00 O ATOM 809 CB GLU A 49 8.727 0.878 -8.921 1.00 0.00 C ATOM 810 CG GLU A 49 10.198 1.262 -8.839 1.00 0.00 C ATOM 811 CD GLU A 49 10.433 2.676 -8.340 1.00 0.00 C ATOM 812 OE1 GLU A 49 10.385 3.617 -9.161 1.00 0.00 O ATOM 813 OE2 GLU A 49 10.688 2.846 -7.128 1.00 0.00 O ATOM 0 H GLU A 49 9.653 -0.162 -6.896 1.00 0.00 H new ATOM 0 HA GLU A 49 7.857 1.966 -7.282 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.647 -0.129 -9.331 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.226 1.547 -9.620 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.710 0.563 -8.178 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.648 1.155 -9.826 1.00 0.00 H new ATOM 820 N TRP A 50 6.564 -1.013 -7.344 1.00 0.00 N ATOM 821 CA TRP A 50 5.333 -1.799 -7.404 1.00 0.00 C ATOM 822 C TRP A 50 4.227 -1.176 -6.553 1.00 0.00 C ATOM 823 O TRP A 50 3.042 -1.264 -6.891 1.00 0.00 O ATOM 824 CB TRP A 50 5.620 -3.226 -6.932 1.00 0.00 C ATOM 825 CG TRP A 50 4.394 -4.067 -6.786 1.00 0.00 C ATOM 826 CD1 TRP A 50 3.675 -4.644 -7.790 1.00 0.00 C ATOM 827 CD2 TRP A 50 3.740 -4.424 -5.562 1.00 0.00 C ATOM 828 NE1 TRP A 50 2.614 -5.340 -7.266 1.00 0.00 N ATOM 829 CE2 TRP A 50 2.633 -5.222 -5.901 1.00 0.00 C ATOM 830 CE3 TRP A 50 3.986 -4.148 -4.215 1.00 0.00 C ATOM 831 CZ2 TRP A 50 1.772 -5.746 -4.941 1.00 0.00 C ATOM 832 CZ3 TRP A 50 3.131 -4.669 -3.263 1.00 0.00 C ATOM 833 CH2 TRP A 50 2.037 -5.462 -3.629 1.00 0.00 C ATOM 0 H TRP A 50 7.368 -1.534 -6.994 1.00 0.00 H new ATOM 0 HA TRP A 50 4.984 -1.814 -8.437 1.00 0.00 H new ATOM 0 HB2 TRP A 50 6.296 -3.705 -7.640 1.00 0.00 H new ATOM 0 HB3 TRP A 50 6.138 -3.185 -5.974 1.00 0.00 H new ATOM 0 HD1 TRP A 50 3.906 -4.565 -8.842 1.00 0.00 H new ATOM 0 HE1 TRP A 50 1.923 -5.861 -7.806 1.00 0.00 H new ATOM 0 HE3 TRP A 50 4.829 -3.539 -3.923 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 0.925 -6.355 -5.222 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.310 -4.461 -2.218 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.389 -5.857 -2.861 1.00 0.00 H new ATOM 844 N LEU A 51 4.624 -0.548 -5.451 1.00 0.00 N ATOM 845 CA LEU A 51 3.681 0.118 -4.565 1.00 0.00 C ATOM 846 C LEU A 51 2.910 1.178 -5.342 1.00 0.00 C ATOM 847 O LEU A 51 1.714 1.382 -5.134 1.00 0.00 O ATOM 848 CB LEU A 51 4.432 0.750 -3.383 1.00 0.00 C ATOM 849 CG LEU A 51 3.568 1.496 -2.361 1.00 0.00 C ATOM 850 CD1 LEU A 51 2.523 0.571 -1.762 1.00 0.00 C ATOM 851 CD2 LEU A 51 4.438 2.086 -1.261 1.00 0.00 C ATOM 0 H LEU A 51 5.597 -0.487 -5.151 1.00 0.00 H new ATOM 0 HA LEU A 51 2.972 -0.611 -4.173 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.978 -0.037 -2.862 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.173 1.444 -3.778 1.00 0.00 H new ATOM 0 HG LEU A 51 3.055 2.308 -2.877 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.921 1.122 -1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.879 0.188 -2.554 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.018 -0.262 -1.262 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.809 2.613 -0.543 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.976 1.285 -0.754 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.153 2.783 -1.697 1.00 0.00 H new ATOM 863 N GLN A 52 3.597 1.813 -6.276 1.00 0.00 N ATOM 864 CA GLN A 52 3.011 2.862 -7.087 1.00 0.00 C ATOM 865 C GLN A 52 2.388 2.266 -8.337 1.00 0.00 C ATOM 866 O GLN A 52 2.835 1.224 -8.814 1.00 0.00 O ATOM 867 CB GLN A 52 4.087 3.864 -7.489 1.00 0.00 C ATOM 868 CG GLN A 52 4.989 4.264 -6.343 1.00 0.00 C ATOM 869 CD GLN A 52 6.132 5.145 -6.783 1.00 0.00 C ATOM 870 OE1 GLN A 52 6.595 5.069 -7.915 1.00 0.00 O ATOM 871 NE2 GLN A 52 6.607 5.979 -5.880 1.00 0.00 N ATOM 0 H GLN A 52 4.574 1.615 -6.492 1.00 0.00 H new ATOM 0 HA GLN A 52 2.240 3.367 -6.506 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.693 3.435 -8.287 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.610 4.756 -7.895 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.401 4.788 -5.589 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.388 3.367 -5.870 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.193 6.012 -4.948 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.388 6.592 -6.113 1.00 0.00 H new ATOM 880 N TRP A 53 1.340 2.919 -8.840 1.00 0.00 N ATOM 881 CA TRP A 53 0.705 2.560 -10.115 1.00 0.00 C ATOM 882 C TRP A 53 -0.071 1.244 -10.035 1.00 0.00 C ATOM 883 O TRP A 53 -1.152 1.124 -10.611 1.00 0.00 O ATOM 884 CB TRP A 53 1.742 2.489 -11.241 1.00 0.00 C ATOM 885 CG TRP A 53 2.525 3.756 -11.404 1.00 0.00 C ATOM 886 CD1 TRP A 53 3.825 3.967 -11.044 1.00 0.00 C ATOM 887 CD2 TRP A 53 2.055 4.990 -11.953 1.00 0.00 C ATOM 888 NE1 TRP A 53 4.190 5.257 -11.334 1.00 0.00 N ATOM 889 CE2 TRP A 53 3.123 5.905 -11.895 1.00 0.00 C ATOM 890 CE3 TRP A 53 0.835 5.411 -12.488 1.00 0.00 C ATOM 891 CZ2 TRP A 53 3.006 7.213 -12.354 1.00 0.00 C ATOM 892 CZ3 TRP A 53 0.724 6.709 -12.944 1.00 0.00 C ATOM 893 CH2 TRP A 53 1.803 7.598 -12.874 1.00 0.00 C ATOM 0 H TRP A 53 0.904 3.715 -8.375 1.00 0.00 H new ATOM 0 HA TRP A 53 -0.013 3.350 -10.336 1.00 0.00 H new ATOM 0 HB2 TRP A 53 2.430 1.668 -11.041 1.00 0.00 H new ATOM 0 HB3 TRP A 53 1.236 2.259 -12.179 1.00 0.00 H new ATOM 0 HD1 TRP A 53 4.471 3.227 -10.596 1.00 0.00 H new ATOM 0 HE1 TRP A 53 5.108 5.667 -11.160 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -0.005 4.734 -12.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 3.837 7.900 -12.301 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.213 7.045 -13.363 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.682 8.608 -13.238 1.00 0.00 H new ATOM 904 N VAL A 54 0.473 0.259 -9.336 1.00 0.00 N ATOM 905 CA VAL A 54 -0.170 -1.037 -9.233 1.00 0.00 C ATOM 906 C VAL A 54 -0.968 -1.169 -7.938 1.00 0.00 C ATOM 907 O VAL A 54 -2.193 -1.127 -7.966 1.00 0.00 O ATOM 908 CB VAL A 54 0.846 -2.196 -9.327 1.00 0.00 C ATOM 909 CG1 VAL A 54 0.121 -3.536 -9.348 1.00 0.00 C ATOM 910 CG2 VAL A 54 1.722 -2.039 -10.562 1.00 0.00 C ATOM 0 H VAL A 54 1.357 0.335 -8.833 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.854 -1.104 -10.079 1.00 0.00 H new ATOM 0 HB VAL A 54 1.489 -2.166 -8.447 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.850 -4.343 -9.415 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.462 -3.648 -8.434 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.544 -3.576 -10.210 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.432 -2.865 -10.612 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.097 -2.044 -11.455 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.266 -1.096 -10.505 1.00 0.00 H new ATOM 920 N LEU A 55 -0.270 -1.289 -6.808 1.00 0.00 N ATOM 921 CA LEU A 55 -0.910 -1.664 -5.542 1.00 0.00 C ATOM 922 C LEU A 55 -2.068 -0.738 -5.158 1.00 0.00 C ATOM 923 O LEU A 55 -3.183 -1.216 -4.942 1.00 0.00 O ATOM 924 CB LEU A 55 0.112 -1.725 -4.403 1.00 0.00 C ATOM 925 CG LEU A 55 -0.444 -2.255 -3.074 1.00 0.00 C ATOM 926 CD1 LEU A 55 -1.024 -3.651 -3.253 1.00 0.00 C ATOM 927 CD2 LEU A 55 0.637 -2.270 -2.007 1.00 0.00 C ATOM 0 H LEU A 55 0.736 -1.133 -6.741 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.331 -2.657 -5.701 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.944 -2.358 -4.712 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.515 -0.726 -4.240 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.241 -1.586 -2.751 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.413 -4.009 -2.299 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.831 -3.619 -3.985 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.244 -4.327 -3.603 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.221 -2.649 -1.073 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.456 -2.914 -2.328 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.011 -1.258 -1.853 1.00 0.00 H new ATOM 939 N ILE A 56 -1.817 0.569 -5.073 1.00 0.00 N ATOM 940 CA ILE A 56 -2.868 1.515 -4.671 1.00 0.00 C ATOM 941 C ILE A 56 -4.123 1.386 -5.557 1.00 0.00 C ATOM 942 O ILE A 56 -5.204 1.090 -5.042 1.00 0.00 O ATOM 943 CB ILE A 56 -2.376 2.996 -4.627 1.00 0.00 C ATOM 944 CG1 ILE A 56 -1.605 3.283 -3.335 1.00 0.00 C ATOM 945 CG2 ILE A 56 -3.539 3.974 -4.748 1.00 0.00 C ATOM 946 CD1 ILE A 56 -0.199 2.732 -3.308 1.00 0.00 C ATOM 0 H ILE A 56 -0.912 0.995 -5.273 1.00 0.00 H new ATOM 0 HA ILE A 56 -3.137 1.240 -3.651 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.711 3.135 -5.479 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.562 4.362 -3.185 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.161 2.866 -2.495 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.160 4.996 -4.714 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.055 3.810 -5.694 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.234 3.817 -3.923 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.272 2.982 -2.357 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.231 1.649 -3.423 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.378 3.167 -4.124 1.00 0.00 H new ATOM 958 N PRO A 57 -4.021 1.582 -6.892 1.00 0.00 N ATOM 959 CA PRO A 57 -5.180 1.460 -7.787 1.00 0.00 C ATOM 960 C PRO A 57 -5.792 0.058 -7.784 1.00 0.00 C ATOM 961 O PRO A 57 -7.011 -0.090 -7.837 1.00 0.00 O ATOM 962 CB PRO A 57 -4.612 1.789 -9.172 1.00 0.00 C ATOM 963 CG PRO A 57 -3.362 2.547 -8.898 1.00 0.00 C ATOM 964 CD PRO A 57 -2.806 1.956 -7.637 1.00 0.00 C ATOM 0 HA PRO A 57 -5.990 2.120 -7.475 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -4.408 0.882 -9.742 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.315 2.382 -9.757 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.655 2.450 -9.722 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.566 3.611 -8.777 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -2.173 1.092 -7.839 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -2.198 2.674 -7.087 1.00 0.00 H new ATOM 972 N ARG A 58 -4.946 -0.962 -7.700 1.00 0.00 N ATOM 973 CA ARG A 58 -5.408 -2.347 -7.741 1.00 0.00 C ATOM 974 C ARG A 58 -6.214 -2.688 -6.492 1.00 0.00 C ATOM 975 O ARG A 58 -7.142 -3.496 -6.538 1.00 0.00 O ATOM 976 CB ARG A 58 -4.223 -3.299 -7.886 1.00 0.00 C ATOM 977 CG ARG A 58 -4.615 -4.707 -8.296 1.00 0.00 C ATOM 978 CD ARG A 58 -3.404 -5.500 -8.750 1.00 0.00 C ATOM 979 NE ARG A 58 -3.777 -6.798 -9.308 1.00 0.00 N ATOM 980 CZ ARG A 58 -3.558 -7.152 -10.575 1.00 0.00 C ATOM 981 NH1 ARG A 58 -3.060 -6.271 -11.437 1.00 0.00 N ATOM 982 NH2 ARG A 58 -3.872 -8.377 -10.984 1.00 0.00 N ATOM 0 H ARG A 58 -3.936 -0.858 -7.603 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.058 -2.464 -8.608 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.532 -2.894 -8.626 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.686 -3.343 -6.938 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.092 -5.214 -7.457 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.348 -4.664 -9.101 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.856 -4.928 -9.498 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.731 -5.648 -7.906 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.231 -7.473 -8.693 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.845 -5.323 -11.130 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -2.893 -6.544 -12.406 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.280 -9.044 -10.329 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -3.705 -8.650 -11.953 1.00 0.00 H new ATOM 996 N MET A 59 -5.854 -2.077 -5.373 1.00 0.00 N ATOM 997 CA MET A 59 -6.612 -2.255 -4.142 1.00 0.00 C ATOM 998 C MET A 59 -7.873 -1.407 -4.165 1.00 0.00 C ATOM 999 O MET A 59 -8.858 -1.739 -3.511 1.00 0.00 O ATOM 1000 CB MET A 59 -5.763 -1.932 -2.914 1.00 0.00 C ATOM 1001 CG MET A 59 -4.741 -3.009 -2.599 1.00 0.00 C ATOM 1002 SD MET A 59 -5.499 -4.637 -2.417 1.00 0.00 S ATOM 1003 CE MET A 59 -4.058 -5.659 -2.134 1.00 0.00 C ATOM 0 H MET A 59 -5.048 -1.458 -5.291 1.00 0.00 H new ATOM 0 HA MET A 59 -6.902 -3.304 -4.076 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.247 -0.985 -3.075 1.00 0.00 H new ATOM 0 HB3 MET A 59 -6.417 -1.796 -2.053 1.00 0.00 H new ATOM 0 HG2 MET A 59 -3.996 -3.044 -3.394 1.00 0.00 H new ATOM 0 HG3 MET A 59 -4.215 -2.750 -1.680 1.00 0.00 H new ATOM 0 HE1 MET A 59 -4.336 -6.710 -2.215 1.00 0.00 H new ATOM 0 HE2 MET A 59 -3.296 -5.427 -2.878 1.00 0.00 H new ATOM 0 HE3 MET A 59 -3.664 -5.464 -1.137 1.00 0.00 H new ATOM 1013 N HIS A 60 -7.852 -0.320 -4.934 1.00 0.00 N ATOM 1014 CA HIS A 60 -9.058 0.474 -5.145 1.00 0.00 C ATOM 1015 C HIS A 60 -10.133 -0.389 -5.791 1.00 0.00 C ATOM 1016 O HIS A 60 -11.294 -0.313 -5.414 1.00 0.00 O ATOM 1017 CB HIS A 60 -8.790 1.711 -6.010 1.00 0.00 C ATOM 1018 CG HIS A 60 -8.307 2.905 -5.244 1.00 0.00 C ATOM 1019 ND1 HIS A 60 -9.134 3.687 -4.473 1.00 0.00 N ATOM 1020 CD2 HIS A 60 -7.080 3.470 -5.156 1.00 0.00 C ATOM 1021 CE1 HIS A 60 -8.441 4.678 -3.950 1.00 0.00 C ATOM 1022 NE2 HIS A 60 -7.189 4.574 -4.347 1.00 0.00 N ATOM 0 H HIS A 60 -7.023 0.027 -5.416 1.00 0.00 H new ATOM 0 HA HIS A 60 -9.399 0.825 -4.171 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -8.050 1.456 -6.768 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -9.707 1.978 -6.536 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -6.179 3.117 -5.635 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -8.834 5.448 -3.303 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -6.429 5.207 -4.096 1.00 0.00 H new ATOM 1031 N ASP A 61 -9.732 -1.231 -6.742 1.00 0.00 N ATOM 1032 CA ASP A 61 -10.657 -2.177 -7.370 1.00 0.00 C ATOM 1033 C ASP A 61 -11.319 -3.049 -6.310 1.00 0.00 C ATOM 1034 O ASP A 61 -12.534 -3.238 -6.306 1.00 0.00 O ATOM 1035 CB ASP A 61 -9.930 -3.076 -8.378 1.00 0.00 C ATOM 1036 CG ASP A 61 -9.510 -2.348 -9.639 1.00 0.00 C ATOM 1037 OD1 ASP A 61 -10.387 -2.055 -10.480 1.00 0.00 O ATOM 1038 OD2 ASP A 61 -8.301 -2.084 -9.810 1.00 0.00 O ATOM 0 H ASP A 61 -8.776 -1.279 -7.095 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.415 -1.598 -7.898 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.047 -3.503 -7.902 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.581 -3.908 -8.647 1.00 0.00 H new ATOM 1043 N LEU A 62 -10.504 -3.558 -5.398 1.00 0.00 N ATOM 1044 CA LEU A 62 -10.975 -4.415 -4.318 1.00 0.00 C ATOM 1045 C LEU A 62 -11.964 -3.672 -3.414 1.00 0.00 C ATOM 1046 O LEU A 62 -12.917 -4.259 -2.896 1.00 0.00 O ATOM 1047 CB LEU A 62 -9.767 -4.905 -3.513 1.00 0.00 C ATOM 1048 CG LEU A 62 -10.069 -5.844 -2.347 1.00 0.00 C ATOM 1049 CD1 LEU A 62 -10.654 -7.154 -2.850 1.00 0.00 C ATOM 1050 CD2 LEU A 62 -8.806 -6.099 -1.543 1.00 0.00 C ATOM 0 H LEU A 62 -9.498 -3.389 -5.385 1.00 0.00 H new ATOM 0 HA LEU A 62 -11.503 -5.269 -4.742 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.085 -5.413 -4.194 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.239 -4.035 -3.124 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.807 -5.369 -1.700 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -10.862 -7.808 -2.003 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -11.579 -6.955 -3.391 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -9.941 -7.639 -3.517 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.032 -6.770 -0.714 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.052 -6.556 -2.184 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.426 -5.155 -1.153 1.00 0.00 H new ATOM 1062 N LEU A 63 -11.749 -2.374 -3.258 1.00 0.00 N ATOM 1063 CA LEU A 63 -12.569 -1.554 -2.377 1.00 0.00 C ATOM 1064 C LEU A 63 -13.829 -1.059 -3.085 1.00 0.00 C ATOM 1065 O LEU A 63 -14.930 -1.156 -2.545 1.00 0.00 O ATOM 1066 CB LEU A 63 -11.755 -0.363 -1.876 1.00 0.00 C ATOM 1067 CG LEU A 63 -10.436 -0.727 -1.196 1.00 0.00 C ATOM 1068 CD1 LEU A 63 -9.627 0.525 -0.903 1.00 0.00 C ATOM 1069 CD2 LEU A 63 -10.690 -1.514 0.081 1.00 0.00 C ATOM 0 H LEU A 63 -11.007 -1.862 -3.735 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.878 -2.171 -1.533 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.543 0.294 -2.719 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.364 0.206 -1.174 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.861 -1.357 -1.875 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.691 0.248 -0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.413 1.046 -1.836 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.196 1.180 -0.244 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.738 -1.764 0.550 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.286 -0.912 0.767 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.228 -2.431 -0.158 1.00 0.00 H new ATOM 1081 N ASP A 64 -13.663 -0.542 -4.297 1.00 0.00 N ATOM 1082 CA ASP A 64 -14.772 0.044 -5.049 1.00 0.00 C ATOM 1083 C ASP A 64 -15.746 -1.021 -5.528 1.00 0.00 C ATOM 1084 O ASP A 64 -16.934 -0.745 -5.704 1.00 0.00 O ATOM 1085 CB ASP A 64 -14.260 0.850 -6.246 1.00 0.00 C ATOM 1086 CG ASP A 64 -13.573 2.137 -5.837 1.00 0.00 C ATOM 1087 OD1 ASP A 64 -14.255 3.044 -5.319 1.00 0.00 O ATOM 1088 OD2 ASP A 64 -12.344 2.257 -6.039 1.00 0.00 O ATOM 0 H ASP A 64 -12.767 -0.516 -4.784 1.00 0.00 H new ATOM 0 HA ASP A 64 -15.299 0.714 -4.370 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.563 0.238 -6.819 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -15.096 1.083 -6.905 1.00 0.00 H new ATOM 1093 N ASN A 65 -15.251 -2.234 -5.750 1.00 0.00 N ATOM 1094 CA ASN A 65 -16.119 -3.341 -6.138 1.00 0.00 C ATOM 1095 C ASN A 65 -16.773 -3.948 -4.906 1.00 0.00 C ATOM 1096 O ASN A 65 -17.593 -4.861 -5.013 1.00 0.00 O ATOM 1097 CB ASN A 65 -15.355 -4.425 -6.907 1.00 0.00 C ATOM 1098 CG ASN A 65 -14.804 -3.933 -8.234 1.00 0.00 C ATOM 1099 OD1 ASN A 65 -15.318 -2.982 -8.822 1.00 0.00 O ATOM 1100 ND2 ASN A 65 -13.768 -4.595 -8.726 1.00 0.00 N ATOM 0 H ASN A 65 -14.263 -2.475 -5.669 1.00 0.00 H new ATOM 0 HA ASN A 65 -16.885 -2.940 -6.801 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -14.533 -4.789 -6.291 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.018 -5.271 -7.086 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -13.368 -4.322 -9.623 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -13.370 -5.378 -8.208 1.00 0.00 H new ATOM 1107 N LYS A 66 -16.397 -3.424 -3.738 1.00 0.00 N ATOM 1108 CA LYS A 66 -16.958 -3.850 -2.458 1.00 0.00 C ATOM 1109 C LYS A 66 -16.756 -5.347 -2.251 1.00 0.00 C ATOM 1110 O LYS A 66 -17.711 -6.125 -2.235 1.00 0.00 O ATOM 1111 CB LYS A 66 -18.445 -3.481 -2.383 1.00 0.00 C ATOM 1112 CG LYS A 66 -18.709 -2.013 -2.673 1.00 0.00 C ATOM 1113 CD LYS A 66 -20.191 -1.728 -2.847 1.00 0.00 C ATOM 1114 CE LYS A 66 -20.424 -0.322 -3.377 1.00 0.00 C ATOM 1115 NZ LYS A 66 -21.862 -0.054 -3.639 1.00 0.00 N ATOM 0 H LYS A 66 -15.693 -2.691 -3.655 1.00 0.00 H new ATOM 0 HA LYS A 66 -16.433 -3.329 -1.657 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -19.001 -4.092 -3.094 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -18.824 -3.723 -1.390 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -18.316 -1.405 -1.858 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -18.174 -1.719 -3.576 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -20.625 -2.455 -3.534 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -20.701 -1.848 -1.891 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -20.046 0.404 -2.657 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -19.856 -0.183 -4.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -21.975 0.915 -3.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -22.218 -0.729 -4.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -22.401 -0.160 -2.756 1.00 0.00 H new ATOM 1129 N GLN A 67 -15.497 -5.744 -2.130 1.00 0.00 N ATOM 1130 CA GLN A 67 -15.147 -7.144 -1.950 1.00 0.00 C ATOM 1131 C GLN A 67 -14.562 -7.364 -0.561 1.00 0.00 C ATOM 1132 O GLN A 67 -14.127 -6.410 0.088 1.00 0.00 O ATOM 1133 CB GLN A 67 -14.131 -7.576 -3.011 1.00 0.00 C ATOM 1134 CG GLN A 67 -14.600 -7.360 -4.436 1.00 0.00 C ATOM 1135 CD GLN A 67 -13.592 -7.850 -5.455 1.00 0.00 C ATOM 1136 OE1 GLN A 67 -13.622 -9.006 -5.872 1.00 0.00 O ATOM 1137 NE2 GLN A 67 -12.689 -6.973 -5.860 1.00 0.00 N ATOM 0 H GLN A 67 -14.697 -5.111 -2.154 1.00 0.00 H new ATOM 0 HA GLN A 67 -16.051 -7.744 -2.057 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -13.203 -7.025 -2.857 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -13.901 -8.632 -2.871 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -15.547 -7.879 -4.587 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -14.789 -6.299 -4.597 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -12.699 -6.023 -5.489 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -11.983 -7.247 -6.543 1.00 0.00 H new ATOM 1146 N PRO A 68 -14.556 -8.615 -0.081 1.00 0.00 N ATOM 1147 CA PRO A 68 -13.914 -8.962 1.185 1.00 0.00 C ATOM 1148 C PRO A 68 -12.399 -8.838 1.078 1.00 0.00 C ATOM 1149 O PRO A 68 -11.813 -9.182 0.048 1.00 0.00 O ATOM 1150 CB PRO A 68 -14.326 -10.420 1.413 1.00 0.00 C ATOM 1151 CG PRO A 68 -14.638 -10.949 0.055 1.00 0.00 C ATOM 1152 CD PRO A 68 -15.169 -9.784 -0.733 1.00 0.00 C ATOM 0 HA PRO A 68 -14.211 -8.305 2.003 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -13.523 -10.988 1.883 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -15.192 -10.487 2.071 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -13.747 -11.365 -0.416 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -15.374 -11.751 0.109 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -14.888 -9.850 -1.784 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -16.257 -9.738 -0.696 1.00 0.00 H new ATOM 1160 N LEU A 69 -11.766 -8.340 2.127 1.00 0.00 N ATOM 1161 CA LEU A 69 -10.330 -8.117 2.100 1.00 0.00 C ATOM 1162 C LEU A 69 -9.589 -9.410 2.411 1.00 0.00 C ATOM 1163 O LEU A 69 -10.045 -10.209 3.230 1.00 0.00 O ATOM 1164 CB LEU A 69 -9.932 -7.033 3.107 1.00 0.00 C ATOM 1165 CG LEU A 69 -10.610 -5.677 2.910 1.00 0.00 C ATOM 1166 CD1 LEU A 69 -10.094 -4.679 3.929 1.00 0.00 C ATOM 1167 CD2 LEU A 69 -10.383 -5.160 1.500 1.00 0.00 C ATOM 0 H LEU A 69 -12.221 -8.084 3.003 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.056 -7.781 1.100 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.159 -7.392 4.111 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.852 -6.892 3.056 1.00 0.00 H new ATOM 0 HG LEU A 69 -11.682 -5.805 3.057 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.585 -3.718 3.778 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.308 -5.042 4.934 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.017 -4.560 3.808 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.874 -4.194 1.383 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.314 -5.047 1.322 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.798 -5.867 0.782 1.00 0.00 H new ATOM 1179 N PRO A 70 -8.458 -9.652 1.735 1.00 0.00 N ATOM 1180 CA PRO A 70 -7.607 -10.800 2.026 1.00 0.00 C ATOM 1181 C PRO A 70 -7.022 -10.710 3.431 1.00 0.00 C ATOM 1182 O PRO A 70 -6.073 -9.963 3.672 1.00 0.00 O ATOM 1183 CB PRO A 70 -6.501 -10.724 0.963 1.00 0.00 C ATOM 1184 CG PRO A 70 -6.518 -9.314 0.481 1.00 0.00 C ATOM 1185 CD PRO A 70 -7.934 -8.835 0.631 1.00 0.00 C ATOM 0 HA PRO A 70 -8.154 -11.742 1.995 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -5.530 -10.984 1.385 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -6.691 -11.421 0.147 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -5.835 -8.696 1.063 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -6.195 -9.254 -0.558 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.975 -7.771 0.865 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -8.507 -8.983 -0.285 1.00 0.00 H new ATOM 1193 N GLY A 71 -7.608 -11.466 4.353 1.00 0.00 N ATOM 1194 CA GLY A 71 -7.210 -11.402 5.749 1.00 0.00 C ATOM 1195 C GLY A 71 -5.781 -11.847 5.987 1.00 0.00 C ATOM 1196 O GLY A 71 -5.226 -11.623 7.061 1.00 0.00 O ATOM 0 H GLY A 71 -8.359 -12.128 4.157 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.329 -10.379 6.107 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.881 -12.026 6.340 1.00 0.00 H new ATOM 1200 N ALA A 72 -5.181 -12.479 4.991 1.00 0.00 N ATOM 1201 CA ALA A 72 -3.811 -12.940 5.109 1.00 0.00 C ATOM 1202 C ALA A 72 -2.894 -12.195 4.147 1.00 0.00 C ATOM 1203 O ALA A 72 -1.845 -12.706 3.753 1.00 0.00 O ATOM 1204 CB ALA A 72 -3.738 -14.440 4.868 1.00 0.00 C ATOM 0 H ALA A 72 -5.622 -12.683 4.094 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.468 -12.731 6.122 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.704 -14.773 4.959 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.353 -14.957 5.605 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.105 -14.666 3.867 1.00 0.00 H new ATOM 1210 N PHE A 73 -3.293 -10.988 3.770 1.00 0.00 N ATOM 1211 CA PHE A 73 -2.459 -10.152 2.921 1.00 0.00 C ATOM 1212 C PHE A 73 -1.403 -9.460 3.769 1.00 0.00 C ATOM 1213 O PHE A 73 -1.732 -8.708 4.688 1.00 0.00 O ATOM 1214 CB PHE A 73 -3.306 -9.115 2.176 1.00 0.00 C ATOM 1215 CG PHE A 73 -2.523 -8.280 1.201 1.00 0.00 C ATOM 1216 CD1 PHE A 73 -2.219 -8.771 -0.058 1.00 0.00 C ATOM 1217 CD2 PHE A 73 -2.098 -7.004 1.539 1.00 0.00 C ATOM 1218 CE1 PHE A 73 -1.505 -8.006 -0.961 1.00 0.00 C ATOM 1219 CE2 PHE A 73 -1.383 -6.234 0.641 1.00 0.00 C ATOM 1220 CZ PHE A 73 -1.087 -6.736 -0.612 1.00 0.00 C ATOM 0 H PHE A 73 -4.184 -10.569 4.037 1.00 0.00 H new ATOM 0 HA PHE A 73 -1.970 -10.783 2.179 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.105 -9.629 1.641 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -3.781 -8.457 2.904 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -2.543 -9.763 -0.337 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.329 -6.607 2.516 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -1.274 -8.401 -1.939 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.056 -5.242 0.918 1.00 0.00 H new ATOM 0 HZ PHE A 73 -0.530 -6.137 -1.317 1.00 0.00 H new ATOM 1230 N ALA A 74 -0.144 -9.731 3.470 1.00 0.00 N ATOM 1231 CA ALA A 74 0.960 -9.160 4.221 1.00 0.00 C ATOM 1232 C ALA A 74 2.163 -8.941 3.316 1.00 0.00 C ATOM 1233 O ALA A 74 2.776 -9.897 2.839 1.00 0.00 O ATOM 1234 CB ALA A 74 1.333 -10.062 5.389 1.00 0.00 C ATOM 0 H ALA A 74 0.140 -10.347 2.708 1.00 0.00 H new ATOM 0 HA ALA A 74 0.644 -8.195 4.616 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.162 -9.619 5.941 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.475 -10.173 6.051 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.630 -11.041 5.012 1.00 0.00 H new ATOM 1240 N VAL A 75 2.492 -7.684 3.068 1.00 0.00 N ATOM 1241 CA VAL A 75 3.629 -7.358 2.217 1.00 0.00 C ATOM 1242 C VAL A 75 4.698 -6.603 2.993 1.00 0.00 C ATOM 1243 O VAL A 75 5.840 -6.499 2.547 1.00 0.00 O ATOM 1244 CB VAL A 75 3.214 -6.532 0.978 1.00 0.00 C ATOM 1245 CG1 VAL A 75 2.258 -7.321 0.103 1.00 0.00 C ATOM 1246 CG2 VAL A 75 2.595 -5.201 1.388 1.00 0.00 C ATOM 0 H VAL A 75 1.993 -6.876 3.440 1.00 0.00 H new ATOM 0 HA VAL A 75 4.037 -8.308 1.872 1.00 0.00 H new ATOM 0 HB VAL A 75 4.113 -6.320 0.400 1.00 0.00 H new ATOM 0 HG11 VAL A 75 1.979 -6.721 -0.763 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.743 -8.238 -0.232 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.364 -7.571 0.674 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.313 -4.641 0.496 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.710 -5.384 1.997 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.319 -4.625 1.964 1.00 0.00 H new ATOM 1256 N ALA A 76 4.331 -6.095 4.163 1.00 0.00 N ATOM 1257 CA ALA A 76 5.261 -5.332 4.986 1.00 0.00 C ATOM 1258 C ALA A 76 6.458 -6.183 5.435 1.00 0.00 C ATOM 1259 O ALA A 76 7.601 -5.742 5.305 1.00 0.00 O ATOM 1260 CB ALA A 76 4.545 -4.716 6.178 1.00 0.00 C ATOM 0 H ALA A 76 3.398 -6.197 4.563 1.00 0.00 H new ATOM 0 HA ALA A 76 5.657 -4.524 4.371 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.258 -4.151 6.779 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.759 -4.049 5.825 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.104 -5.506 6.786 1.00 0.00 H new ATOM 1266 N PRO A 77 6.232 -7.415 5.962 1.00 0.00 N ATOM 1267 CA PRO A 77 7.330 -8.321 6.332 1.00 0.00 C ATOM 1268 C PRO A 77 8.310 -8.553 5.183 1.00 0.00 C ATOM 1269 O PRO A 77 9.519 -8.666 5.394 1.00 0.00 O ATOM 1270 CB PRO A 77 6.616 -9.625 6.692 1.00 0.00 C ATOM 1271 CG PRO A 77 5.258 -9.201 7.128 1.00 0.00 C ATOM 1272 CD PRO A 77 4.913 -8.007 6.285 1.00 0.00 C ATOM 0 HA PRO A 77 7.933 -7.911 7.142 1.00 0.00 H new ATOM 0 HB2 PRO A 77 6.565 -10.299 5.837 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.139 -10.157 7.486 1.00 0.00 H new ATOM 0 HG2 PRO A 77 4.533 -10.003 6.986 1.00 0.00 H new ATOM 0 HG3 PRO A 77 5.249 -8.947 8.188 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.372 -8.295 5.384 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.280 -7.304 6.826 1.00 0.00 H new ATOM 1280 N TYR A 78 7.789 -8.606 3.964 1.00 0.00 N ATOM 1281 CA TYR A 78 8.631 -8.811 2.795 1.00 0.00 C ATOM 1282 C TYR A 78 9.364 -7.520 2.433 1.00 0.00 C ATOM 1283 O TYR A 78 10.547 -7.542 2.086 1.00 0.00 O ATOM 1284 CB TYR A 78 7.805 -9.303 1.602 1.00 0.00 C ATOM 1285 CG TYR A 78 8.645 -9.547 0.366 1.00 0.00 C ATOM 1286 CD1 TYR A 78 9.469 -10.661 0.276 1.00 0.00 C ATOM 1287 CD2 TYR A 78 8.636 -8.649 -0.694 1.00 0.00 C ATOM 1288 CE1 TYR A 78 10.260 -10.876 -0.836 1.00 0.00 C ATOM 1289 CE2 TYR A 78 9.428 -8.854 -1.805 1.00 0.00 C ATOM 1290 CZ TYR A 78 10.240 -9.970 -1.871 1.00 0.00 C ATOM 1291 OH TYR A 78 11.044 -10.170 -2.968 1.00 0.00 O ATOM 0 H TYR A 78 6.794 -8.510 3.761 1.00 0.00 H new ATOM 0 HA TYR A 78 9.367 -9.577 3.040 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.294 -10.226 1.876 1.00 0.00 H new ATOM 0 HB3 TYR A 78 7.034 -8.568 1.372 1.00 0.00 H new ATOM 0 HD1 TYR A 78 9.492 -11.371 1.089 1.00 0.00 H new ATOM 0 HD2 TYR A 78 8.000 -7.778 -0.648 1.00 0.00 H new ATOM 0 HE1 TYR A 78 10.891 -11.751 -0.892 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.413 -8.145 -2.620 1.00 0.00 H new ATOM 0 HH TYR A 78 10.489 -10.229 -3.774 1.00 0.00 H new ATOM 1301 N TYR A 79 8.661 -6.399 2.529 1.00 0.00 N ATOM 1302 CA TYR A 79 9.233 -5.096 2.204 1.00 0.00 C ATOM 1303 C TYR A 79 10.394 -4.740 3.126 1.00 0.00 C ATOM 1304 O TYR A 79 11.292 -3.995 2.737 1.00 0.00 O ATOM 1305 CB TYR A 79 8.161 -4.013 2.263 1.00 0.00 C ATOM 1306 CG TYR A 79 7.658 -3.597 0.902 1.00 0.00 C ATOM 1307 CD1 TYR A 79 6.817 -4.420 0.164 1.00 0.00 C ATOM 1308 CD2 TYR A 79 8.031 -2.378 0.355 1.00 0.00 C ATOM 1309 CE1 TYR A 79 6.367 -4.039 -1.085 1.00 0.00 C ATOM 1310 CE2 TYR A 79 7.584 -1.991 -0.890 1.00 0.00 C ATOM 1311 CZ TYR A 79 6.753 -2.822 -1.605 1.00 0.00 C ATOM 1312 OH TYR A 79 6.314 -2.434 -2.849 1.00 0.00 O ATOM 0 H TYR A 79 7.687 -6.365 2.831 1.00 0.00 H new ATOM 0 HA TYR A 79 9.624 -5.156 1.188 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.322 -4.374 2.858 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.564 -3.140 2.776 1.00 0.00 H new ATOM 0 HD1 TYR A 79 6.511 -5.372 0.573 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.682 -1.722 0.914 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.717 -4.690 -1.651 1.00 0.00 H new ATOM 0 HE2 TYR A 79 7.885 -1.039 -1.303 1.00 0.00 H new ATOM 0 HH TYR A 79 6.678 -1.550 -3.063 1.00 0.00 H new ATOM 1322 N GLU A 80 10.375 -5.276 4.341 1.00 0.00 N ATOM 1323 CA GLU A 80 11.473 -5.085 5.283 1.00 0.00 C ATOM 1324 C GLU A 80 12.789 -5.560 4.664 1.00 0.00 C ATOM 1325 O GLU A 80 13.841 -4.951 4.864 1.00 0.00 O ATOM 1326 CB GLU A 80 11.180 -5.840 6.585 1.00 0.00 C ATOM 1327 CG GLU A 80 12.290 -5.751 7.622 1.00 0.00 C ATOM 1328 CD GLU A 80 13.027 -7.064 7.799 1.00 0.00 C ATOM 1329 OE1 GLU A 80 12.528 -7.933 8.546 1.00 0.00 O ATOM 1330 OE2 GLU A 80 14.107 -7.235 7.201 1.00 0.00 O ATOM 0 H GLU A 80 9.610 -5.848 4.698 1.00 0.00 H new ATOM 0 HA GLU A 80 11.568 -4.023 5.512 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.260 -5.449 7.020 1.00 0.00 H new ATOM 0 HB3 GLU A 80 11.001 -6.889 6.351 1.00 0.00 H new ATOM 0 HG2 GLU A 80 12.999 -4.978 7.325 1.00 0.00 H new ATOM 0 HG3 GLU A 80 11.866 -5.445 8.578 1.00 0.00 H new ATOM 1337 N MET A 81 12.710 -6.635 3.889 1.00 0.00 N ATOM 1338 CA MET A 81 13.880 -7.177 3.209 1.00 0.00 C ATOM 1339 C MET A 81 14.077 -6.490 1.866 1.00 0.00 C ATOM 1340 O MET A 81 15.203 -6.227 1.450 1.00 0.00 O ATOM 1341 CB MET A 81 13.724 -8.681 2.994 1.00 0.00 C ATOM 1342 CG MET A 81 13.496 -9.464 4.275 1.00 0.00 C ATOM 1343 SD MET A 81 13.198 -11.214 3.966 1.00 0.00 S ATOM 1344 CE MET A 81 11.787 -11.119 2.866 1.00 0.00 C ATOM 0 H MET A 81 11.846 -7.149 3.716 1.00 0.00 H new ATOM 0 HA MET A 81 14.753 -6.995 3.836 1.00 0.00 H new ATOM 0 HB2 MET A 81 12.887 -8.857 2.318 1.00 0.00 H new ATOM 0 HB3 MET A 81 14.618 -9.062 2.500 1.00 0.00 H new ATOM 0 HG2 MET A 81 14.365 -9.355 4.924 1.00 0.00 H new ATOM 0 HG3 MET A 81 12.645 -9.042 4.809 1.00 0.00 H new ATOM 0 HE1 MET A 81 11.023 -11.825 3.192 1.00 0.00 H new ATOM 0 HE2 MET A 81 11.379 -10.108 2.884 1.00 0.00 H new ATOM 0 HE3 MET A 81 12.099 -11.366 1.851 1.00 0.00 H new ATOM 1354 N ALA A 82 12.966 -6.189 1.202 1.00 0.00 N ATOM 1355 CA ALA A 82 12.991 -5.564 -0.116 1.00 0.00 C ATOM 1356 C ALA A 82 13.666 -4.195 -0.079 1.00 0.00 C ATOM 1357 O ALA A 82 14.364 -3.809 -1.018 1.00 0.00 O ATOM 1358 CB ALA A 82 11.578 -5.435 -0.660 1.00 0.00 C ATOM 0 H ALA A 82 12.028 -6.370 1.559 1.00 0.00 H new ATOM 0 HA ALA A 82 13.576 -6.205 -0.776 1.00 0.00 H new ATOM 0 HB1 ALA A 82 11.608 -4.967 -1.644 1.00 0.00 H new ATOM 0 HB2 ALA A 82 11.128 -6.424 -0.742 1.00 0.00 H new ATOM 0 HB3 ALA A 82 10.983 -4.821 0.016 1.00 0.00 H new ATOM 1364 N LEU A 83 13.452 -3.463 1.005 1.00 0.00 N ATOM 1365 CA LEU A 83 14.047 -2.144 1.166 1.00 0.00 C ATOM 1366 C LEU A 83 15.429 -2.246 1.799 1.00 0.00 C ATOM 1367 O LEU A 83 16.184 -1.271 1.822 1.00 0.00 O ATOM 1368 CB LEU A 83 13.140 -1.256 2.021 1.00 0.00 C ATOM 1369 CG LEU A 83 11.742 -1.018 1.445 1.00 0.00 C ATOM 1370 CD1 LEU A 83 10.920 -0.149 2.380 1.00 0.00 C ATOM 1371 CD2 LEU A 83 11.834 -0.377 0.069 1.00 0.00 C ATOM 0 H LEU A 83 12.870 -3.761 1.788 1.00 0.00 H new ATOM 0 HA LEU A 83 14.155 -1.695 0.179 1.00 0.00 H new ATOM 0 HB2 LEU A 83 13.038 -1.709 3.007 1.00 0.00 H new ATOM 0 HB3 LEU A 83 13.628 -0.292 2.161 1.00 0.00 H new ATOM 0 HG LEU A 83 11.244 -1.983 1.344 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.930 0.009 1.953 1.00 0.00 H new ATOM 0 HD12 LEU A 83 10.824 -0.644 3.346 1.00 0.00 H new ATOM 0 HD13 LEU A 83 11.416 0.813 2.513 1.00 0.00 H new ATOM 0 HD21 LEU A 83 10.831 -0.215 -0.325 1.00 0.00 H new ATOM 0 HD22 LEU A 83 12.352 0.579 0.147 1.00 0.00 H new ATOM 0 HD23 LEU A 83 12.386 -1.035 -0.603 1.00 0.00 H new ATOM 1383 N ALA A 84 15.746 -3.439 2.308 1.00 0.00 N ATOM 1384 CA ALA A 84 17.036 -3.713 2.943 1.00 0.00 C ATOM 1385 C ALA A 84 17.264 -2.821 4.160 1.00 0.00 C ATOM 1386 O ALA A 84 16.341 -2.175 4.658 1.00 0.00 O ATOM 1387 CB ALA A 84 18.174 -3.558 1.940 1.00 0.00 C ATOM 0 H ALA A 84 15.116 -4.241 2.291 1.00 0.00 H new ATOM 0 HA ALA A 84 17.019 -4.746 3.291 1.00 0.00 H new ATOM 0 HB1 ALA A 84 19.124 -3.766 2.432 1.00 0.00 H new ATOM 0 HB2 ALA A 84 18.031 -4.258 1.117 1.00 0.00 H new ATOM 0 HB3 ALA A 84 18.182 -2.539 1.553 1.00 0.00 H new ATOM 1393 N THR A 85 18.491 -2.815 4.652 1.00 0.00 N ATOM 1394 CA THR A 85 18.857 -1.992 5.788 1.00 0.00 C ATOM 1395 C THR A 85 19.592 -0.733 5.336 1.00 0.00 C ATOM 1396 O THR A 85 19.664 0.258 6.060 1.00 0.00 O ATOM 1397 CB THR A 85 19.752 -2.793 6.743 1.00 0.00 C ATOM 1398 OG1 THR A 85 20.631 -3.632 5.980 1.00 0.00 O ATOM 1399 CG2 THR A 85 18.921 -3.643 7.693 1.00 0.00 C ATOM 0 H THR A 85 19.255 -3.377 4.277 1.00 0.00 H new ATOM 0 HA THR A 85 17.943 -1.694 6.302 1.00 0.00 H new ATOM 0 HB THR A 85 20.335 -2.092 7.341 1.00 0.00 H new ATOM 0 HG1 THR A 85 21.205 -4.143 6.588 1.00 0.00 H new ATOM 0 HG21 THR A 85 19.583 -4.199 8.357 1.00 0.00 H new ATOM 0 HG22 THR A 85 18.271 -2.998 8.285 1.00 0.00 H new ATOM 0 HG23 THR A 85 18.313 -4.342 7.119 1.00 0.00 H new ATOM 1407 N ASP A 86 20.116 -0.781 4.118 1.00 0.00 N ATOM 1408 CA ASP A 86 20.947 0.287 3.584 1.00 0.00 C ATOM 1409 C ASP A 86 20.126 1.508 3.186 1.00 0.00 C ATOM 1410 O ASP A 86 20.663 2.605 3.049 1.00 0.00 O ATOM 1411 CB ASP A 86 21.730 -0.221 2.376 1.00 0.00 C ATOM 1412 CG ASP A 86 22.818 -1.200 2.762 1.00 0.00 C ATOM 1413 OD1 ASP A 86 22.525 -2.407 2.876 1.00 0.00 O ATOM 1414 OD2 ASP A 86 23.973 -0.762 2.955 1.00 0.00 O ATOM 0 H ASP A 86 19.977 -1.560 3.475 1.00 0.00 H new ATOM 0 HA ASP A 86 21.634 0.593 4.373 1.00 0.00 H new ATOM 0 HB2 ASP A 86 21.044 -0.701 1.678 1.00 0.00 H new ATOM 0 HB3 ASP A 86 22.176 0.625 1.854 1.00 0.00 H new ATOM 1419 N HIS A 87 18.828 1.319 2.997 1.00 0.00 N ATOM 1420 CA HIS A 87 17.955 2.414 2.593 1.00 0.00 C ATOM 1421 C HIS A 87 17.197 2.947 3.809 1.00 0.00 C ATOM 1422 O HIS A 87 16.209 2.357 4.233 1.00 0.00 O ATOM 1423 CB HIS A 87 16.983 1.938 1.509 1.00 0.00 C ATOM 1424 CG HIS A 87 16.582 3.008 0.540 1.00 0.00 C ATOM 1425 ND1 HIS A 87 17.399 3.433 -0.484 1.00 0.00 N ATOM 1426 CD2 HIS A 87 15.446 3.739 0.435 1.00 0.00 C ATOM 1427 CE1 HIS A 87 16.789 4.375 -1.171 1.00 0.00 C ATOM 1428 NE2 HIS A 87 15.599 4.582 -0.640 1.00 0.00 N ATOM 0 H HIS A 87 18.357 0.422 3.116 1.00 0.00 H new ATOM 0 HA HIS A 87 18.557 3.223 2.179 1.00 0.00 H new ATOM 0 HB2 HIS A 87 17.442 1.117 0.959 1.00 0.00 H new ATOM 0 HB3 HIS A 87 16.088 1.540 1.987 1.00 0.00 H new ATOM 0 HD2 HIS A 87 14.580 3.672 1.077 1.00 0.00 H new ATOM 0 HE1 HIS A 87 17.195 4.893 -2.027 1.00 0.00 H new ATOM 0 HE2 HIS A 87 14.908 5.255 -0.972 1.00 0.00 H new ATOM 1437 N PRO A 88 17.653 4.078 4.378 1.00 0.00 N ATOM 1438 CA PRO A 88 17.143 4.594 5.662 1.00 0.00 C ATOM 1439 C PRO A 88 15.684 5.035 5.604 1.00 0.00 C ATOM 1440 O PRO A 88 14.964 4.957 6.597 1.00 0.00 O ATOM 1441 CB PRO A 88 18.046 5.797 5.950 1.00 0.00 C ATOM 1442 CG PRO A 88 18.572 6.213 4.620 1.00 0.00 C ATOM 1443 CD PRO A 88 18.702 4.950 3.816 1.00 0.00 C ATOM 0 HA PRO A 88 17.166 3.821 6.430 1.00 0.00 H new ATOM 0 HB2 PRO A 88 17.488 6.605 6.424 1.00 0.00 H new ATOM 0 HB3 PRO A 88 18.856 5.529 6.628 1.00 0.00 H new ATOM 0 HG2 PRO A 88 17.896 6.917 4.135 1.00 0.00 H new ATOM 0 HG3 PRO A 88 19.535 6.714 4.720 1.00 0.00 H new ATOM 0 HD2 PRO A 88 18.546 5.133 2.753 1.00 0.00 H new ATOM 0 HD3 PRO A 88 19.692 4.507 3.921 1.00 0.00 H new ATOM 1451 N GLN A 89 15.240 5.465 4.428 1.00 0.00 N ATOM 1452 CA GLN A 89 13.888 5.993 4.265 1.00 0.00 C ATOM 1453 C GLN A 89 12.852 4.869 4.247 1.00 0.00 C ATOM 1454 O GLN A 89 11.677 5.094 3.955 1.00 0.00 O ATOM 1455 CB GLN A 89 13.798 6.821 2.981 1.00 0.00 C ATOM 1456 CG GLN A 89 14.889 7.874 2.871 1.00 0.00 C ATOM 1457 CD GLN A 89 14.668 8.838 1.725 1.00 0.00 C ATOM 1458 OE1 GLN A 89 14.059 8.496 0.709 1.00 0.00 O ATOM 1459 NE2 GLN A 89 15.183 10.045 1.871 1.00 0.00 N ATOM 0 H GLN A 89 15.796 5.459 3.573 1.00 0.00 H new ATOM 0 HA GLN A 89 13.670 6.635 5.119 1.00 0.00 H new ATOM 0 HB2 GLN A 89 13.858 6.154 2.121 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.825 7.310 2.939 1.00 0.00 H new ATOM 0 HG2 GLN A 89 14.941 8.434 3.805 1.00 0.00 H new ATOM 0 HG3 GLN A 89 15.852 7.379 2.742 1.00 0.00 H new ATOM 0 HE21 GLN A 89 15.680 10.287 2.728 1.00 0.00 H new ATOM 0 HE22 GLN A 89 15.084 10.735 1.127 1.00 0.00 H new ATOM 1468 N ARG A 90 13.299 3.663 4.578 1.00 0.00 N ATOM 1469 CA ARG A 90 12.426 2.500 4.648 1.00 0.00 C ATOM 1470 C ARG A 90 11.406 2.655 5.768 1.00 0.00 C ATOM 1471 O ARG A 90 10.271 2.206 5.644 1.00 0.00 O ATOM 1472 CB ARG A 90 13.253 1.231 4.881 1.00 0.00 C ATOM 1473 CG ARG A 90 14.055 1.260 6.176 1.00 0.00 C ATOM 1474 CD ARG A 90 14.848 -0.016 6.388 1.00 0.00 C ATOM 1475 NE ARG A 90 15.639 0.040 7.617 1.00 0.00 N ATOM 1476 CZ ARG A 90 16.004 -1.030 8.321 1.00 0.00 C ATOM 1477 NH1 ARG A 90 15.675 -2.250 7.907 1.00 0.00 N ATOM 1478 NH2 ARG A 90 16.710 -0.883 9.432 1.00 0.00 N ATOM 0 H ARG A 90 14.274 3.465 4.804 1.00 0.00 H new ATOM 0 HA ARG A 90 11.895 2.418 3.699 1.00 0.00 H new ATOM 0 HB2 ARG A 90 12.586 0.369 4.895 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.936 1.092 4.043 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.736 2.111 6.160 1.00 0.00 H new ATOM 0 HG3 ARG A 90 13.378 1.409 7.017 1.00 0.00 H new ATOM 0 HD2 ARG A 90 14.167 -0.866 6.432 1.00 0.00 H new ATOM 0 HD3 ARG A 90 15.508 -0.180 5.537 1.00 0.00 H new ATOM 0 HE ARG A 90 15.930 0.957 7.957 1.00 0.00 H new ATOM 0 HH11 ARG A 90 15.141 -2.370 7.046 1.00 0.00 H new ATOM 0 HH12 ARG A 90 15.957 -3.066 8.450 1.00 0.00 H new ATOM 0 HH21 ARG A 90 16.974 0.050 9.749 1.00 0.00 H new ATOM 0 HH22 ARG A 90 16.989 -1.703 9.971 1.00 0.00 H new ATOM 1492 N ALA A 91 11.820 3.318 6.847 1.00 0.00 N ATOM 1493 CA ALA A 91 10.995 3.460 8.042 1.00 0.00 C ATOM 1494 C ALA A 91 9.638 4.071 7.721 1.00 0.00 C ATOM 1495 O ALA A 91 8.603 3.553 8.137 1.00 0.00 O ATOM 1496 CB ALA A 91 11.721 4.300 9.082 1.00 0.00 C ATOM 0 H ALA A 91 12.732 3.769 6.916 1.00 0.00 H new ATOM 0 HA ALA A 91 10.819 2.463 8.445 1.00 0.00 H new ATOM 0 HB1 ALA A 91 11.096 4.400 9.970 1.00 0.00 H new ATOM 0 HB2 ALA A 91 12.659 3.815 9.351 1.00 0.00 H new ATOM 0 HB3 ALA A 91 11.928 5.288 8.671 1.00 0.00 H new ATOM 1502 N LEU A 92 9.651 5.160 6.961 1.00 0.00 N ATOM 1503 CA LEU A 92 8.423 5.856 6.590 1.00 0.00 C ATOM 1504 C LEU A 92 7.505 4.942 5.784 1.00 0.00 C ATOM 1505 O LEU A 92 6.312 4.821 6.074 1.00 0.00 O ATOM 1506 CB LEU A 92 8.753 7.103 5.768 1.00 0.00 C ATOM 1507 CG LEU A 92 9.682 8.109 6.450 1.00 0.00 C ATOM 1508 CD1 LEU A 92 10.048 9.227 5.488 1.00 0.00 C ATOM 1509 CD2 LEU A 92 9.034 8.679 7.705 1.00 0.00 C ATOM 0 H LEU A 92 10.501 5.582 6.588 1.00 0.00 H new ATOM 0 HA LEU A 92 7.909 6.150 7.505 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.211 6.789 4.830 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.821 7.608 5.515 1.00 0.00 H new ATOM 0 HG LEU A 92 10.594 7.588 6.743 1.00 0.00 H new ATOM 0 HD11 LEU A 92 10.709 9.935 5.988 1.00 0.00 H new ATOM 0 HD12 LEU A 92 10.555 8.808 4.619 1.00 0.00 H new ATOM 0 HD13 LEU A 92 9.142 9.741 5.166 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.713 9.392 8.173 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.105 9.184 7.438 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.819 7.870 8.403 1.00 0.00 H new ATOM 1521 N ILE A 93 8.079 4.288 4.785 1.00 0.00 N ATOM 1522 CA ILE A 93 7.321 3.426 3.890 1.00 0.00 C ATOM 1523 C ILE A 93 6.790 2.200 4.631 1.00 0.00 C ATOM 1524 O ILE A 93 5.615 1.858 4.514 1.00 0.00 O ATOM 1525 CB ILE A 93 8.186 2.979 2.692 1.00 0.00 C ATOM 1526 CG1 ILE A 93 8.816 4.202 2.017 1.00 0.00 C ATOM 1527 CG2 ILE A 93 7.349 2.184 1.696 1.00 0.00 C ATOM 1528 CD1 ILE A 93 9.697 3.868 0.832 1.00 0.00 C ATOM 0 H ILE A 93 9.075 4.339 4.573 1.00 0.00 H new ATOM 0 HA ILE A 93 6.475 4.003 3.516 1.00 0.00 H new ATOM 0 HB ILE A 93 8.984 2.332 3.055 1.00 0.00 H new ATOM 0 HG12 ILE A 93 8.021 4.872 1.688 1.00 0.00 H new ATOM 0 HG13 ILE A 93 9.407 4.746 2.754 1.00 0.00 H new ATOM 0 HG21 ILE A 93 7.975 1.877 0.858 1.00 0.00 H new ATOM 0 HG22 ILE A 93 6.941 1.300 2.187 1.00 0.00 H new ATOM 0 HG23 ILE A 93 6.532 2.805 1.330 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.104 4.787 0.411 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.515 3.224 1.156 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.107 3.352 0.074 1.00 0.00 H new ATOM 1540 N LEU A 94 7.655 1.561 5.410 1.00 0.00 N ATOM 1541 CA LEU A 94 7.279 0.362 6.150 1.00 0.00 C ATOM 1542 C LEU A 94 6.198 0.661 7.178 1.00 0.00 C ATOM 1543 O LEU A 94 5.238 -0.095 7.305 1.00 0.00 O ATOM 1544 CB LEU A 94 8.497 -0.258 6.843 1.00 0.00 C ATOM 1545 CG LEU A 94 9.527 -0.884 5.903 1.00 0.00 C ATOM 1546 CD1 LEU A 94 10.710 -1.421 6.691 1.00 0.00 C ATOM 1547 CD2 LEU A 94 8.885 -1.990 5.080 1.00 0.00 C ATOM 0 H LEU A 94 8.623 1.853 5.546 1.00 0.00 H new ATOM 0 HA LEU A 94 6.881 -0.352 5.429 1.00 0.00 H new ATOM 0 HB2 LEU A 94 8.990 0.512 7.436 1.00 0.00 H new ATOM 0 HB3 LEU A 94 8.150 -1.022 7.538 1.00 0.00 H new ATOM 0 HG LEU A 94 9.891 -0.114 5.223 1.00 0.00 H new ATOM 0 HD11 LEU A 94 11.433 -1.863 6.006 1.00 0.00 H new ATOM 0 HD12 LEU A 94 11.182 -0.606 7.240 1.00 0.00 H new ATOM 0 HD13 LEU A 94 10.365 -2.180 7.393 1.00 0.00 H new ATOM 0 HD21 LEU A 94 9.629 -2.427 4.415 1.00 0.00 H new ATOM 0 HD22 LEU A 94 8.496 -2.760 5.746 1.00 0.00 H new ATOM 0 HD23 LEU A 94 8.068 -1.576 4.488 1.00 0.00 H new ATOM 1559 N ALA A 95 6.346 1.773 7.893 1.00 0.00 N ATOM 1560 CA ALA A 95 5.386 2.155 8.922 1.00 0.00 C ATOM 1561 C ALA A 95 3.982 2.272 8.341 1.00 0.00 C ATOM 1562 O ALA A 95 3.022 1.729 8.899 1.00 0.00 O ATOM 1563 CB ALA A 95 5.796 3.466 9.578 1.00 0.00 C ATOM 0 H ALA A 95 7.122 2.425 7.778 1.00 0.00 H new ATOM 0 HA ALA A 95 5.379 1.373 9.681 1.00 0.00 H new ATOM 0 HB1 ALA A 95 5.067 3.734 10.343 1.00 0.00 H new ATOM 0 HB2 ALA A 95 6.778 3.352 10.037 1.00 0.00 H new ATOM 0 HB3 ALA A 95 5.837 4.253 8.825 1.00 0.00 H new ATOM 1569 N GLU A 96 3.870 2.964 7.212 1.00 0.00 N ATOM 1570 CA GLU A 96 2.579 3.163 6.567 1.00 0.00 C ATOM 1571 C GLU A 96 2.082 1.851 5.961 1.00 0.00 C ATOM 1572 O GLU A 96 0.885 1.559 5.987 1.00 0.00 O ATOM 1573 CB GLU A 96 2.677 4.255 5.499 1.00 0.00 C ATOM 1574 CG GLU A 96 1.328 4.812 5.065 1.00 0.00 C ATOM 1575 CD GLU A 96 0.553 5.423 6.215 1.00 0.00 C ATOM 1576 OE1 GLU A 96 1.166 6.132 7.043 1.00 0.00 O ATOM 1577 OE2 GLU A 96 -0.667 5.189 6.312 1.00 0.00 O ATOM 0 H GLU A 96 4.656 3.395 6.726 1.00 0.00 H new ATOM 0 HA GLU A 96 1.859 3.488 7.318 1.00 0.00 H new ATOM 0 HB2 GLU A 96 3.290 5.071 5.882 1.00 0.00 H new ATOM 0 HB3 GLU A 96 3.191 3.852 4.626 1.00 0.00 H new ATOM 0 HG2 GLU A 96 1.482 5.567 4.294 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.737 4.014 4.617 1.00 0.00 H new ATOM 1584 N LEU A 97 3.006 1.049 5.437 1.00 0.00 N ATOM 1585 CA LEU A 97 2.659 -0.266 4.913 1.00 0.00 C ATOM 1586 C LEU A 97 2.094 -1.149 6.011 1.00 0.00 C ATOM 1587 O LEU A 97 1.100 -1.831 5.801 1.00 0.00 O ATOM 1588 CB LEU A 97 3.863 -0.958 4.271 1.00 0.00 C ATOM 1589 CG LEU A 97 4.280 -0.413 2.906 1.00 0.00 C ATOM 1590 CD1 LEU A 97 5.420 -1.238 2.337 1.00 0.00 C ATOM 1591 CD2 LEU A 97 3.097 -0.408 1.948 1.00 0.00 C ATOM 0 H LEU A 97 3.995 1.287 5.365 1.00 0.00 H new ATOM 0 HA LEU A 97 1.902 -0.113 4.144 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.712 -0.878 4.950 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.638 -2.019 4.166 1.00 0.00 H new ATOM 0 HG LEU A 97 4.622 0.614 3.033 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.708 -0.839 1.364 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.273 -1.195 3.014 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.099 -2.273 2.224 1.00 0.00 H new ATOM 0 HD21 LEU A 97 3.413 -0.017 0.981 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.725 -1.425 1.824 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.304 0.221 2.352 1.00 0.00 H new ATOM 1603 N GLU A 98 2.726 -1.127 7.181 1.00 0.00 N ATOM 1604 CA GLU A 98 2.258 -1.908 8.323 1.00 0.00 C ATOM 1605 C GLU A 98 0.861 -1.472 8.742 1.00 0.00 C ATOM 1606 O GLU A 98 0.070 -2.281 9.228 1.00 0.00 O ATOM 1607 CB GLU A 98 3.207 -1.759 9.509 1.00 0.00 C ATOM 1608 CG GLU A 98 4.579 -2.371 9.290 1.00 0.00 C ATOM 1609 CD GLU A 98 5.470 -2.206 10.501 1.00 0.00 C ATOM 1610 OE1 GLU A 98 6.138 -1.160 10.615 1.00 0.00 O ATOM 1611 OE2 GLU A 98 5.480 -3.110 11.361 1.00 0.00 O ATOM 0 H GLU A 98 3.565 -0.576 7.364 1.00 0.00 H new ATOM 0 HA GLU A 98 2.230 -2.953 8.015 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.326 -0.699 9.733 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.751 -2.221 10.385 1.00 0.00 H new ATOM 0 HG2 GLU A 98 4.471 -3.431 9.060 1.00 0.00 H new ATOM 0 HG3 GLU A 98 5.051 -1.904 8.426 1.00 0.00 H new ATOM 1618 N LYS A 99 0.569 -0.191 8.559 1.00 0.00 N ATOM 1619 CA LYS A 99 -0.740 0.349 8.892 1.00 0.00 C ATOM 1620 C LYS A 99 -1.801 -0.256 7.971 1.00 0.00 C ATOM 1621 O LYS A 99 -2.827 -0.755 8.430 1.00 0.00 O ATOM 1622 CB LYS A 99 -0.723 1.872 8.763 1.00 0.00 C ATOM 1623 CG LYS A 99 -1.958 2.556 9.330 1.00 0.00 C ATOM 1624 CD LYS A 99 -1.931 4.053 9.060 1.00 0.00 C ATOM 1625 CE LYS A 99 -0.741 4.729 9.719 1.00 0.00 C ATOM 1626 NZ LYS A 99 -0.527 6.104 9.194 1.00 0.00 N ATOM 0 H LYS A 99 1.224 0.494 8.181 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.985 0.091 9.922 1.00 0.00 H new ATOM 0 HB2 LYS A 99 0.160 2.259 9.272 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.626 2.136 7.710 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -2.854 2.120 8.887 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -2.014 2.379 10.404 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -1.897 4.227 7.984 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -2.853 4.504 9.427 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -0.898 4.772 10.797 1.00 0.00 H new ATOM 0 HE3 LYS A 99 0.155 4.132 9.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 0.302 6.111 8.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -1.367 6.407 8.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -0.365 6.757 9.987 1.00 0.00 H new ATOM 1640 N LEU A 100 -1.525 -0.235 6.672 1.00 0.00 N ATOM 1641 CA LEU A 100 -2.413 -0.839 5.681 1.00 0.00 C ATOM 1642 C LEU A 100 -2.468 -2.356 5.876 1.00 0.00 C ATOM 1643 O LEU A 100 -3.527 -2.980 5.777 1.00 0.00 O ATOM 1644 CB LEU A 100 -1.913 -0.511 4.272 1.00 0.00 C ATOM 1645 CG LEU A 100 -2.829 -0.960 3.135 1.00 0.00 C ATOM 1646 CD1 LEU A 100 -4.111 -0.144 3.134 1.00 0.00 C ATOM 1647 CD2 LEU A 100 -2.119 -0.844 1.797 1.00 0.00 C ATOM 0 H LEU A 100 -0.689 0.196 6.277 1.00 0.00 H new ATOM 0 HA LEU A 100 -3.416 -0.433 5.809 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.769 0.567 4.197 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.936 -0.974 4.134 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.087 -2.007 3.293 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.753 -0.476 2.318 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.630 -0.281 4.083 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.871 0.911 3.001 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.789 -1.169 1.000 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.829 0.193 1.627 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -1.229 -1.473 1.802 1.00 0.00 H new ATOM 1659 N ASP A 101 -1.307 -2.924 6.169 1.00 0.00 N ATOM 1660 CA ASP A 101 -1.148 -4.353 6.425 1.00 0.00 C ATOM 1661 C ASP A 101 -2.043 -4.791 7.584 1.00 0.00 C ATOM 1662 O ASP A 101 -2.591 -5.896 7.587 1.00 0.00 O ATOM 1663 CB ASP A 101 0.326 -4.630 6.750 1.00 0.00 C ATOM 1664 CG ASP A 101 0.690 -6.098 6.780 1.00 0.00 C ATOM 1665 OD1 ASP A 101 0.479 -6.742 7.830 1.00 0.00 O ATOM 1666 OD2 ASP A 101 1.226 -6.600 5.767 1.00 0.00 O ATOM 0 H ASP A 101 -0.435 -2.400 6.237 1.00 0.00 H new ATOM 0 HA ASP A 101 -1.443 -4.921 5.543 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.950 -4.128 6.011 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.562 -4.189 7.719 1.00 0.00 H new ATOM 1671 N ALA A 102 -2.208 -3.897 8.556 1.00 0.00 N ATOM 1672 CA ALA A 102 -3.032 -4.170 9.727 1.00 0.00 C ATOM 1673 C ALA A 102 -4.513 -4.069 9.391 1.00 0.00 C ATOM 1674 O ALA A 102 -5.356 -4.627 10.093 1.00 0.00 O ATOM 1675 CB ALA A 102 -2.682 -3.210 10.855 1.00 0.00 C ATOM 0 H ALA A 102 -1.778 -2.972 8.554 1.00 0.00 H new ATOM 0 HA ALA A 102 -2.827 -5.190 10.053 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.305 -3.426 11.723 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -1.632 -3.331 11.123 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -2.857 -2.185 10.528 1.00 0.00 H new ATOM 1681 N LEU A 103 -4.823 -3.357 8.314 1.00 0.00 N ATOM 1682 CA LEU A 103 -6.202 -3.205 7.867 1.00 0.00 C ATOM 1683 C LEU A 103 -6.691 -4.493 7.223 1.00 0.00 C ATOM 1684 O LEU A 103 -7.846 -4.886 7.395 1.00 0.00 O ATOM 1685 CB LEU A 103 -6.325 -2.040 6.881 1.00 0.00 C ATOM 1686 CG LEU A 103 -5.961 -0.667 7.449 1.00 0.00 C ATOM 1687 CD1 LEU A 103 -6.031 0.394 6.366 1.00 0.00 C ATOM 1688 CD2 LEU A 103 -6.884 -0.306 8.604 1.00 0.00 C ATOM 0 H LEU A 103 -4.137 -2.875 7.733 1.00 0.00 H new ATOM 0 HA LEU A 103 -6.823 -2.988 8.736 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -5.685 -2.242 6.022 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.350 -2.003 6.512 1.00 0.00 H new ATOM 0 HG LEU A 103 -4.938 -0.712 7.823 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.769 1.364 6.789 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.332 0.146 5.568 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -7.043 0.436 5.962 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -6.611 0.674 8.996 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -7.915 -0.281 8.252 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.788 -1.052 9.393 1.00 0.00 H new ATOM 1700 N PHE A 104 -5.803 -5.161 6.495 1.00 0.00 N ATOM 1701 CA PHE A 104 -6.127 -6.458 5.914 1.00 0.00 C ATOM 1702 C PHE A 104 -6.219 -7.513 7.005 1.00 0.00 C ATOM 1703 O PHE A 104 -6.945 -8.494 6.875 1.00 0.00 O ATOM 1704 CB PHE A 104 -5.094 -6.862 4.861 1.00 0.00 C ATOM 1705 CG PHE A 104 -5.148 -5.999 3.633 1.00 0.00 C ATOM 1706 CD1 PHE A 104 -6.117 -6.212 2.667 1.00 0.00 C ATOM 1707 CD2 PHE A 104 -4.237 -4.972 3.451 1.00 0.00 C ATOM 1708 CE1 PHE A 104 -6.179 -5.413 1.541 1.00 0.00 C ATOM 1709 CE2 PHE A 104 -4.293 -4.172 2.325 1.00 0.00 C ATOM 1710 CZ PHE A 104 -5.264 -4.392 1.369 1.00 0.00 C ATOM 0 H PHE A 104 -4.860 -4.829 6.294 1.00 0.00 H new ATOM 0 HA PHE A 104 -7.095 -6.379 5.419 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -4.096 -6.805 5.296 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -5.259 -7.901 4.577 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -6.832 -7.011 2.795 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -3.475 -4.794 4.196 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -6.942 -5.586 0.796 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -3.577 -3.375 2.193 1.00 0.00 H new ATOM 0 HZ PHE A 104 -5.308 -3.768 0.489 1.00 0.00 H new ATOM 1720 N ALA A 105 -5.490 -7.290 8.090 1.00 0.00 N ATOM 1721 CA ALA A 105 -5.562 -8.163 9.253 1.00 0.00 C ATOM 1722 C ALA A 105 -6.772 -7.807 10.114 1.00 0.00 C ATOM 1723 O ALA A 105 -7.098 -8.510 11.070 1.00 0.00 O ATOM 1724 CB ALA A 105 -4.283 -8.065 10.070 1.00 0.00 C ATOM 0 H ALA A 105 -4.840 -6.510 8.189 1.00 0.00 H new ATOM 0 HA ALA A 105 -5.674 -9.190 8.907 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -4.353 -8.724 10.936 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -3.434 -8.364 9.455 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -4.144 -7.037 10.406 1.00 0.00 H new ATOM 1730 N ASP A 106 -7.428 -6.704 9.771 1.00 0.00 N ATOM 1731 CA ASP A 106 -8.618 -6.264 10.489 1.00 0.00 C ATOM 1732 C ASP A 106 -9.860 -6.906 9.893 1.00 0.00 C ATOM 1733 O ASP A 106 -10.721 -7.413 10.615 1.00 0.00 O ATOM 1734 CB ASP A 106 -8.753 -4.739 10.448 1.00 0.00 C ATOM 1735 CG ASP A 106 -10.019 -4.253 11.129 1.00 0.00 C ATOM 1736 OD1 ASP A 106 -10.045 -4.199 12.376 1.00 0.00 O ATOM 1737 OD2 ASP A 106 -11.000 -3.932 10.423 1.00 0.00 O ATOM 0 H ASP A 106 -7.155 -6.097 8.998 1.00 0.00 H new ATOM 0 HA ASP A 106 -8.516 -6.574 11.529 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -7.887 -4.287 10.931 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -8.750 -4.404 9.411 1.00 0.00 H new ATOM 1742 N ASP A 107 -9.951 -6.880 8.571 1.00 0.00 N ATOM 1743 CA ASP A 107 -11.073 -7.497 7.880 1.00 0.00 C ATOM 1744 C ASP A 107 -10.822 -8.990 7.730 1.00 0.00 C ATOM 1745 O ASP A 107 -10.298 -9.450 6.715 1.00 0.00 O ATOM 1746 CB ASP A 107 -11.294 -6.854 6.509 1.00 0.00 C ATOM 1747 CG ASP A 107 -12.653 -7.185 5.921 1.00 0.00 C ATOM 1748 OD1 ASP A 107 -13.655 -6.591 6.375 1.00 0.00 O ATOM 1749 OD2 ASP A 107 -12.729 -8.018 4.989 1.00 0.00 O ATOM 0 H ASP A 107 -9.264 -6.440 7.958 1.00 0.00 H new ATOM 0 HA ASP A 107 -11.975 -7.341 8.472 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -11.195 -5.772 6.599 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -10.515 -7.190 5.825 1.00 0.00 H new