USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 888 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 2 GLN : amide:sc= -0.784 K(o=-1.8,f=-2.3) USER MOD Set 1.2: A 106 MET CE :methyl 169:sc= -0.97 (180deg=-1.3) USER MOD Set 2.1: A 6 CYS SG : rot 132:sc= -0.199 USER MOD Set 2.2: A 56 MET CE :methyl -140:sc= -0.455 (180deg=-1.65!) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HE2:sc= 0.944 K(o=0.94,f=-5.1!) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.066) USER MOD Single : A 15 SER OG : rot 180:sc= -0.362 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 158:sc= -0.0173 (180deg=-0.293) USER MOD Single : A 18 HIS : no HE2:sc= -2.75! C(o=-2.7!,f=-3!) USER MOD Single : A 21 TYR OH : rot 180:sc= -0.0954 USER MOD Single : A 26 TYR OH : rot 108:sc= -3.05! USER MOD Single : A 27 LYS NZ :NH3+ 169:sc= -0.296 (180deg=-0.548) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HE2:sc= -0.0702 X(o=-0.07,f=-0.077) USER MOD Single : A 47 MET CE :methyl 150:sc= -0.578 (180deg=-1.49) USER MOD Single : A 50 SER OG : rot 49:sc= 1.01 USER MOD Single : A 51 THR OG1 : rot 59:sc= 0.108 USER MOD Single : A 53 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0104) USER MOD Single : A 55 LYS NZ :NH3+ -113:sc= 0.0454 (180deg=-0.145) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot 15:sc= -3.72! USER MOD Single : A 65 GLN : amide:sc= -0.251 K(o=-0.25,f=-4.3!) USER MOD Single : A 74 MET CE :methyl -122:sc= -2.44! (180deg=-4.49!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -2.5 K(o=-2.5,f=-4.2) USER MOD Single : A 78 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -111:sc= -0.206 (180deg=-2.75!) USER MOD Single : A 81 TYR OH : rot -110:sc= 0 USER MOD Single : A 82 ASN : amide:sc=-0.00801 K(o=-0.008,f=-0.72) USER MOD Single : A 86 HIS : no HD1:sc= -0.018 X(o=-0.018,f=-0.0063) USER MOD Single : A 91 MET CE :methyl 142:sc= -0.463 (180deg=-2.12) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.347 X(o=-0.35,f=0) USER MOD Single : A 103 TYR OH : rot -1:sc= -1.53! USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -15.330 12.786 0.114 1.00 0.00 N ATOM 2 CA GLU A 1 -15.201 11.415 -0.454 1.00 0.00 C ATOM 3 C GLU A 1 -14.030 10.663 0.171 1.00 0.00 C ATOM 4 O GLU A 1 -12.924 11.195 0.276 1.00 0.00 O ATOM 5 CB GLU A 1 -14.999 11.523 -1.968 1.00 0.00 C ATOM 6 CG GLU A 1 -15.156 10.199 -2.703 1.00 0.00 C ATOM 7 CD GLU A 1 -16.218 10.249 -3.785 1.00 0.00 C ATOM 8 OE1 GLU A 1 -17.359 10.659 -3.481 1.00 0.00 O ATOM 9 OE2 GLU A 1 -15.908 9.878 -4.936 1.00 0.00 O ATOM 0 H1 GLU A 1 -16.135 13.272 -0.331 1.00 0.00 H new ATOM 0 H2 GLU A 1 -15.488 12.723 1.140 1.00 0.00 H new ATOM 0 H3 GLU A 1 -14.458 13.322 -0.070 1.00 0.00 H new ATOM 0 HA GLU A 1 -16.111 10.857 -0.233 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -15.715 12.239 -2.371 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -14.004 11.922 -2.165 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -14.201 9.922 -3.150 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -15.411 9.419 -1.986 1.00 0.00 H new ATOM 18 N GLN A 2 -14.280 9.419 0.574 1.00 0.00 N ATOM 19 CA GLN A 2 -13.246 8.585 1.179 1.00 0.00 C ATOM 20 C GLN A 2 -12.218 8.146 0.132 1.00 0.00 C ATOM 21 O GLN A 2 -11.025 8.048 0.427 1.00 0.00 O ATOM 22 CB GLN A 2 -13.875 7.357 1.845 1.00 0.00 C ATOM 23 CG GLN A 2 -14.364 7.606 3.265 1.00 0.00 C ATOM 24 CD GLN A 2 -13.284 8.166 4.173 1.00 0.00 C ATOM 25 OE1 GLN A 2 -12.123 7.768 4.093 1.00 0.00 O ATOM 26 NE2 GLN A 2 -13.662 9.096 5.044 1.00 0.00 N ATOM 0 H GLN A 2 -15.191 8.967 0.492 1.00 0.00 H new ATOM 0 HA GLN A 2 -12.734 9.176 1.938 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -14.713 7.016 1.237 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -13.143 6.549 1.860 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -15.204 8.300 3.238 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -14.736 6.671 3.685 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -14.636 9.398 5.077 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -12.978 9.508 5.679 1.00 0.00 H new ATOM 35 N LEU A 3 -12.687 7.889 -1.093 1.00 0.00 N ATOM 36 CA LEU A 3 -11.808 7.465 -2.184 1.00 0.00 C ATOM 37 C LEU A 3 -10.822 8.572 -2.558 1.00 0.00 C ATOM 38 O LEU A 3 -9.641 8.306 -2.793 1.00 0.00 O ATOM 39 CB LEU A 3 -12.633 7.062 -3.413 1.00 0.00 C ATOM 40 CG LEU A 3 -12.725 5.553 -3.672 1.00 0.00 C ATOM 41 CD1 LEU A 3 -14.166 5.074 -3.555 1.00 0.00 C ATOM 42 CD2 LEU A 3 -12.156 5.209 -5.043 1.00 0.00 C ATOM 0 H LEU A 3 -13.670 7.968 -1.353 1.00 0.00 H new ATOM 0 HA LEU A 3 -11.240 6.601 -1.838 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -13.642 7.457 -3.298 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -12.202 7.540 -4.293 1.00 0.00 H new ATOM 0 HG LEU A 3 -12.132 5.040 -2.915 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -14.209 4.001 -3.742 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -14.538 5.283 -2.552 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -14.783 5.595 -4.287 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -12.230 4.134 -5.208 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -12.720 5.734 -5.813 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -11.110 5.512 -5.089 1.00 0.00 H new ATOM 54 N LYS A 4 -11.312 9.812 -2.614 1.00 0.00 N ATOM 55 CA LYS A 4 -10.469 10.956 -2.959 1.00 0.00 C ATOM 56 C LYS A 4 -9.323 11.116 -1.963 1.00 0.00 C ATOM 57 O LYS A 4 -8.196 11.427 -2.349 1.00 0.00 O ATOM 58 CB LYS A 4 -11.298 12.243 -3.008 1.00 0.00 C ATOM 59 CG LYS A 4 -10.788 13.258 -4.021 1.00 0.00 C ATOM 60 CD LYS A 4 -11.680 13.320 -5.253 1.00 0.00 C ATOM 61 CE LYS A 4 -11.445 12.133 -6.177 1.00 0.00 C ATOM 62 NZ LYS A 4 -10.478 12.453 -7.266 1.00 0.00 N ATOM 0 H LYS A 4 -12.286 10.048 -2.425 1.00 0.00 H new ATOM 0 HA LYS A 4 -10.046 10.768 -3.946 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -12.331 11.991 -3.247 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -11.302 12.700 -2.019 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.740 14.243 -3.557 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.773 12.996 -4.319 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -12.725 13.340 -4.945 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -11.489 14.246 -5.795 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.070 11.290 -5.596 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.393 11.822 -6.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.348 11.617 -7.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.847 13.240 -7.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.564 12.725 -6.850 1.00 0.00 H new ATOM 76 N HIS A 5 -9.618 10.898 -0.679 1.00 0.00 N ATOM 77 CA HIS A 5 -8.611 11.014 0.375 1.00 0.00 C ATOM 78 C HIS A 5 -7.453 10.046 0.134 1.00 0.00 C ATOM 79 O HIS A 5 -6.292 10.388 0.368 1.00 0.00 O ATOM 80 CB HIS A 5 -9.240 10.753 1.747 1.00 0.00 C ATOM 81 CG HIS A 5 -10.207 11.818 2.176 1.00 0.00 C ATOM 82 ND1 HIS A 5 -10.736 11.890 3.449 1.00 0.00 N ATOM 83 CD2 HIS A 5 -10.743 12.858 1.492 1.00 0.00 C ATOM 84 CE1 HIS A 5 -11.553 12.926 3.528 1.00 0.00 C ATOM 85 NE2 HIS A 5 -11.575 13.528 2.355 1.00 0.00 N ATOM 0 H HIS A 5 -10.547 10.640 -0.346 1.00 0.00 H new ATOM 0 HA HIS A 5 -8.218 12.030 0.355 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -9.756 9.793 1.724 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -8.448 10.672 2.491 1.00 0.00 H new ATOM 0 HD1 HIS A 5 -10.529 11.244 4.211 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -10.551 13.113 0.460 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -12.108 13.228 4.404 1.00 0.00 H new ATOM 94 N CYS A 6 -7.773 8.841 -0.345 1.00 0.00 N ATOM 95 CA CYS A 6 -6.754 7.831 -0.627 1.00 0.00 C ATOM 96 C CYS A 6 -5.900 8.239 -1.827 1.00 0.00 C ATOM 97 O CYS A 6 -4.691 8.004 -1.846 1.00 0.00 O ATOM 98 CB CYS A 6 -7.400 6.468 -0.892 1.00 0.00 C ATOM 99 SG CYS A 6 -6.217 5.106 -1.028 1.00 0.00 S ATOM 0 H CYS A 6 -8.728 8.543 -0.545 1.00 0.00 H new ATOM 0 HA CYS A 6 -6.112 7.753 0.250 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -8.101 6.247 -0.087 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -7.980 6.525 -1.813 1.00 0.00 H new ATOM 0 HG CYS A 6 -6.611 4.113 -0.288 1.00 0.00 H new ATOM 105 N ASN A 7 -6.539 8.853 -2.828 1.00 0.00 N ATOM 106 CA ASN A 7 -5.840 9.296 -4.034 1.00 0.00 C ATOM 107 C ASN A 7 -4.697 10.249 -3.686 1.00 0.00 C ATOM 108 O ASN A 7 -3.610 10.158 -4.259 1.00 0.00 O ATOM 109 CB ASN A 7 -6.815 9.981 -5.000 1.00 0.00 C ATOM 110 CG ASN A 7 -7.237 9.075 -6.141 1.00 0.00 C ATOM 111 OD1 ASN A 7 -6.896 9.317 -7.299 1.00 0.00 O ATOM 112 ND2 ASN A 7 -7.986 8.026 -5.821 1.00 0.00 N ATOM 0 H ASN A 7 -7.539 9.054 -2.825 1.00 0.00 H new ATOM 0 HA ASN A 7 -5.420 8.415 -4.519 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -7.699 10.303 -4.450 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.348 10.878 -5.407 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -8.301 7.384 -6.548 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -8.246 7.863 -4.848 1.00 0.00 H new ATOM 119 N VAL A 8 -4.947 11.157 -2.742 1.00 0.00 N ATOM 120 CA VAL A 8 -3.932 12.119 -2.319 1.00 0.00 C ATOM 121 C VAL A 8 -2.719 11.401 -1.725 1.00 0.00 C ATOM 122 O VAL A 8 -1.576 11.744 -2.029 1.00 0.00 O ATOM 123 CB VAL A 8 -4.488 13.123 -1.283 1.00 0.00 C ATOM 124 CG1 VAL A 8 -3.469 14.216 -0.997 1.00 0.00 C ATOM 125 CG2 VAL A 8 -5.802 13.725 -1.763 1.00 0.00 C ATOM 0 H VAL A 8 -5.841 11.246 -2.258 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.630 12.672 -3.208 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.682 12.583 -0.356 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.878 14.913 -0.266 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.557 13.769 -0.601 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.240 14.750 -1.919 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.174 14.428 -1.018 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.640 14.247 -2.706 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.534 12.931 -1.910 1.00 0.00 H new ATOM 135 N ILE A 9 -2.978 10.398 -0.886 1.00 0.00 N ATOM 136 CA ILE A 9 -1.910 9.624 -0.256 1.00 0.00 C ATOM 137 C ILE A 9 -1.098 8.850 -1.300 1.00 0.00 C ATOM 138 O ILE A 9 0.114 8.687 -1.154 1.00 0.00 O ATOM 139 CB ILE A 9 -2.465 8.635 0.792 1.00 0.00 C ATOM 140 CG1 ILE A 9 -3.391 9.357 1.777 1.00 0.00 C ATOM 141 CG2 ILE A 9 -1.323 7.955 1.535 1.00 0.00 C ATOM 142 CD1 ILE A 9 -4.008 8.439 2.812 1.00 0.00 C ATOM 0 H ILE A 9 -3.919 10.103 -0.627 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.260 10.339 0.247 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.045 7.872 0.273 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.827 10.139 2.286 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.187 9.850 1.220 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.730 7.261 2.270 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.701 7.409 0.825 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.719 8.708 2.042 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.651 9.018 3.475 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.599 7.672 2.312 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.218 7.965 3.395 1.00 0.00 H new ATOM 154 N LEU A 10 -1.774 8.380 -2.353 1.00 0.00 N ATOM 155 CA LEU A 10 -1.114 7.630 -3.425 1.00 0.00 C ATOM 156 C LEU A 10 -0.016 8.471 -4.076 1.00 0.00 C ATOM 157 O LEU A 10 1.071 7.968 -4.367 1.00 0.00 O ATOM 158 CB LEU A 10 -2.138 7.199 -4.487 1.00 0.00 C ATOM 159 CG LEU A 10 -1.897 5.830 -5.142 1.00 0.00 C ATOM 160 CD1 LEU A 10 -0.595 5.821 -5.931 1.00 0.00 C ATOM 161 CD2 LEU A 10 -1.901 4.720 -4.099 1.00 0.00 C ATOM 0 H LEU A 10 -2.778 8.506 -2.485 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.661 6.741 -2.987 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.126 7.190 -4.027 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.158 7.956 -5.271 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.715 5.646 -5.839 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.450 4.840 -6.383 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.639 6.579 -6.714 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.238 6.038 -5.262 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.728 3.761 -4.588 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.112 4.903 -3.370 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.866 4.701 -3.592 1.00 0.00 H new ATOM 173 N LYS A 11 -0.308 9.756 -4.298 1.00 0.00 N ATOM 174 CA LYS A 11 0.656 10.668 -4.910 1.00 0.00 C ATOM 175 C LYS A 11 1.934 10.751 -4.076 1.00 0.00 C ATOM 176 O LYS A 11 3.033 10.786 -4.624 1.00 0.00 O ATOM 177 CB LYS A 11 0.049 12.064 -5.083 1.00 0.00 C ATOM 178 CG LYS A 11 -0.607 12.280 -6.439 1.00 0.00 C ATOM 179 CD LYS A 11 -0.999 13.736 -6.646 1.00 0.00 C ATOM 180 CE LYS A 11 -2.153 13.874 -7.632 1.00 0.00 C ATOM 181 NZ LYS A 11 -3.456 13.457 -7.036 1.00 0.00 N ATOM 0 H LYS A 11 -1.203 10.185 -4.063 1.00 0.00 H new ATOM 0 HA LYS A 11 0.910 10.274 -5.894 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.692 12.228 -4.300 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.831 12.811 -4.944 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.078 11.971 -7.229 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.492 11.649 -6.520 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.283 14.176 -5.690 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.139 14.296 -7.012 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.222 14.910 -7.965 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.949 13.268 -8.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.233 13.739 -7.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.467 12.424 -6.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.578 13.917 -6.111 1.00 0.00 H new ATOM 195 N GLU A 12 1.781 10.773 -2.749 1.00 0.00 N ATOM 196 CA GLU A 12 2.928 10.842 -1.844 1.00 0.00 C ATOM 197 C GLU A 12 3.755 9.554 -1.897 1.00 0.00 C ATOM 198 O GLU A 12 4.979 9.589 -1.755 1.00 0.00 O ATOM 199 CB GLU A 12 2.467 11.103 -0.406 1.00 0.00 C ATOM 200 CG GLU A 12 3.431 11.965 0.397 1.00 0.00 C ATOM 201 CD GLU A 12 3.483 13.399 -0.095 1.00 0.00 C ATOM 202 OE1 GLU A 12 4.288 13.686 -1.008 1.00 0.00 O ATOM 203 OE2 GLU A 12 2.721 14.235 0.433 1.00 0.00 O ATOM 0 H GLU A 12 0.876 10.744 -2.280 1.00 0.00 H new ATOM 0 HA GLU A 12 3.556 11.670 -2.173 1.00 0.00 H new ATOM 0 HB2 GLU A 12 1.491 11.589 -0.429 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.336 10.148 0.103 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.133 11.956 1.446 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.430 11.531 0.345 1.00 0.00 H new ATOM 210 N LEU A 13 3.081 8.418 -2.102 1.00 0.00 N ATOM 211 CA LEU A 13 3.756 7.121 -2.174 1.00 0.00 C ATOM 212 C LEU A 13 4.659 7.035 -3.410 1.00 0.00 C ATOM 213 O LEU A 13 5.766 6.497 -3.342 1.00 0.00 O ATOM 214 CB LEU A 13 2.730 5.978 -2.197 1.00 0.00 C ATOM 215 CG LEU A 13 1.857 5.848 -0.942 1.00 0.00 C ATOM 216 CD1 LEU A 13 0.752 4.823 -1.164 1.00 0.00 C ATOM 217 CD2 LEU A 13 2.703 5.467 0.266 1.00 0.00 C ATOM 0 H LEU A 13 2.069 8.372 -2.221 1.00 0.00 H new ATOM 0 HA LEU A 13 4.378 7.022 -1.285 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.078 6.116 -3.059 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.262 5.039 -2.347 1.00 0.00 H new ATOM 0 HG LEU A 13 1.396 6.816 -0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.143 4.744 -0.264 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.126 5.138 -1.999 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.195 3.853 -1.388 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.064 5.380 1.145 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.195 4.512 0.079 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.456 6.235 0.440 1.00 0.00 H new ATOM 229 N LEU A 14 4.178 7.567 -4.537 1.00 0.00 N ATOM 230 CA LEU A 14 4.938 7.553 -5.792 1.00 0.00 C ATOM 231 C LEU A 14 5.691 8.873 -6.027 1.00 0.00 C ATOM 232 O LEU A 14 6.432 8.998 -7.003 1.00 0.00 O ATOM 233 CB LEU A 14 3.994 7.294 -6.973 1.00 0.00 C ATOM 234 CG LEU A 14 4.210 5.976 -7.723 1.00 0.00 C ATOM 235 CD1 LEU A 14 3.142 5.800 -8.793 1.00 0.00 C ATOM 236 CD2 LEU A 14 5.600 5.929 -8.343 1.00 0.00 C ATOM 0 H LEU A 14 3.264 8.014 -4.607 1.00 0.00 H new ATOM 0 HA LEU A 14 5.674 6.753 -5.715 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.968 7.317 -6.605 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.097 8.115 -7.683 1.00 0.00 H new ATOM 0 HG LEU A 14 4.129 5.156 -7.010 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.306 4.860 -9.319 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.157 5.787 -8.326 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.197 6.627 -9.501 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.731 4.984 -8.871 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.714 6.755 -9.045 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.352 6.014 -7.558 1.00 0.00 H new ATOM 248 N SER A 15 5.485 9.860 -5.148 1.00 0.00 N ATOM 249 CA SER A 15 6.128 11.171 -5.282 1.00 0.00 C ATOM 250 C SER A 15 7.658 11.069 -5.267 1.00 0.00 C ATOM 251 O SER A 15 8.301 11.183 -6.312 1.00 0.00 O ATOM 252 CB SER A 15 5.641 12.109 -4.169 1.00 0.00 C ATOM 253 OG SER A 15 6.472 13.252 -4.045 1.00 0.00 O ATOM 0 H SER A 15 4.876 9.775 -4.334 1.00 0.00 H new ATOM 0 HA SER A 15 5.844 11.581 -6.251 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.619 12.423 -4.379 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.620 11.570 -3.222 1.00 0.00 H new ATOM 0 HG SER A 15 6.132 13.828 -3.329 1.00 0.00 H new ATOM 259 N LYS A 16 8.234 10.864 -4.081 1.00 0.00 N ATOM 260 CA LYS A 16 9.688 10.756 -3.937 1.00 0.00 C ATOM 261 C LYS A 16 10.074 10.351 -2.512 1.00 0.00 C ATOM 262 O LYS A 16 10.923 9.479 -2.318 1.00 0.00 O ATOM 263 CB LYS A 16 10.375 12.077 -4.316 1.00 0.00 C ATOM 264 CG LYS A 16 9.880 13.285 -3.532 1.00 0.00 C ATOM 265 CD LYS A 16 10.625 14.552 -3.927 1.00 0.00 C ATOM 266 CE LYS A 16 10.389 15.677 -2.927 1.00 0.00 C ATOM 267 NZ LYS A 16 10.978 16.971 -3.382 1.00 0.00 N ATOM 0 H LYS A 16 7.717 10.769 -3.207 1.00 0.00 H new ATOM 0 HA LYS A 16 10.029 9.977 -4.619 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.449 11.973 -4.161 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.223 12.261 -5.380 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.813 13.420 -3.706 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.008 13.104 -2.465 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.692 14.341 -3.993 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.301 14.871 -4.918 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.318 15.803 -2.771 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.821 15.402 -1.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.793 17.706 -2.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.005 16.861 -3.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.548 17.249 -4.287 1.00 0.00 H new ATOM 281 N LYS A 17 9.439 10.982 -1.519 1.00 0.00 N ATOM 282 CA LYS A 17 9.709 10.680 -0.112 1.00 0.00 C ATOM 283 C LYS A 17 9.510 9.191 0.173 1.00 0.00 C ATOM 284 O LYS A 17 10.313 8.572 0.874 1.00 0.00 O ATOM 285 CB LYS A 17 8.794 11.515 0.791 1.00 0.00 C ATOM 286 CG LYS A 17 9.044 11.318 2.279 1.00 0.00 C ATOM 287 CD LYS A 17 7.765 11.487 3.088 1.00 0.00 C ATOM 288 CE LYS A 17 7.771 12.776 3.903 1.00 0.00 C ATOM 289 NZ LYS A 17 8.068 13.974 3.065 1.00 0.00 N ATOM 0 H LYS A 17 8.735 11.705 -1.665 1.00 0.00 H new ATOM 0 HA LYS A 17 10.748 10.934 0.099 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.925 12.569 0.548 1.00 0.00 H new ATOM 0 HB3 LYS A 17 7.756 11.264 0.571 1.00 0.00 H new ATOM 0 HG2 LYS A 17 9.456 10.324 2.451 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.790 12.035 2.622 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.908 11.488 2.415 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.644 10.635 3.757 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.801 12.903 4.384 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.513 12.698 4.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.708 14.827 3.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.096 14.059 2.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.607 13.872 2.138 1.00 0.00 H new ATOM 303 N HIS A 18 8.438 8.623 -0.381 1.00 0.00 N ATOM 304 CA HIS A 18 8.132 7.206 -0.195 1.00 0.00 C ATOM 305 C HIS A 18 8.425 6.395 -1.461 1.00 0.00 C ATOM 306 O HIS A 18 7.973 5.255 -1.591 1.00 0.00 O ATOM 307 CB HIS A 18 6.669 7.040 0.214 1.00 0.00 C ATOM 308 CG HIS A 18 6.379 7.590 1.572 1.00 0.00 C ATOM 309 ND1 HIS A 18 5.447 8.579 1.804 1.00 0.00 N ATOM 310 CD2 HIS A 18 6.922 7.296 2.776 1.00 0.00 C ATOM 311 CE1 HIS A 18 5.430 8.869 3.093 1.00 0.00 C ATOM 312 NE2 HIS A 18 6.316 8.103 3.704 1.00 0.00 N ATOM 0 H HIS A 18 7.767 9.124 -0.963 1.00 0.00 H new ATOM 0 HA HIS A 18 8.775 6.823 0.597 1.00 0.00 H new ATOM 0 HB2 HIS A 18 6.034 7.539 -0.518 1.00 0.00 H new ATOM 0 HB3 HIS A 18 6.409 5.982 0.193 1.00 0.00 H new ATOM 0 HD1 HIS A 18 4.863 9.018 1.093 1.00 0.00 H new ATOM 0 HD2 HIS A 18 7.690 6.562 2.970 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.799 9.607 3.566 1.00 0.00 H new ATOM 321 N ALA A 19 9.194 6.978 -2.384 1.00 0.00 N ATOM 322 CA ALA A 19 9.553 6.298 -3.626 1.00 0.00 C ATOM 323 C ALA A 19 10.584 5.201 -3.372 1.00 0.00 C ATOM 324 O ALA A 19 10.597 4.185 -4.068 1.00 0.00 O ATOM 325 CB ALA A 19 10.089 7.288 -4.649 1.00 0.00 C ATOM 0 H ALA A 19 9.578 7.918 -2.293 1.00 0.00 H new ATOM 0 HA ALA A 19 8.649 5.838 -4.024 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.350 6.759 -5.566 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.326 8.036 -4.866 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.976 7.780 -4.249 1.00 0.00 H new ATOM 331 N ALA A 20 11.444 5.408 -2.368 1.00 0.00 N ATOM 332 CA ALA A 20 12.473 4.427 -2.022 1.00 0.00 C ATOM 333 C ALA A 20 11.850 3.074 -1.687 1.00 0.00 C ATOM 334 O ALA A 20 12.392 2.028 -2.048 1.00 0.00 O ATOM 335 CB ALA A 20 13.322 4.924 -0.859 1.00 0.00 C ATOM 0 H ALA A 20 11.446 6.244 -1.784 1.00 0.00 H new ATOM 0 HA ALA A 20 13.118 4.298 -2.891 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.081 4.179 -0.618 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.807 5.860 -1.137 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.686 5.089 0.011 1.00 0.00 H new ATOM 341 N TYR A 21 10.701 3.104 -1.010 1.00 0.00 N ATOM 342 CA TYR A 21 9.989 1.879 -0.643 1.00 0.00 C ATOM 343 C TYR A 21 8.888 1.559 -1.665 1.00 0.00 C ATOM 344 O TYR A 21 8.226 0.522 -1.572 1.00 0.00 O ATOM 345 CB TYR A 21 9.370 1.999 0.759 1.00 0.00 C ATOM 346 CG TYR A 21 10.066 2.988 1.671 1.00 0.00 C ATOM 347 CD1 TYR A 21 11.197 2.622 2.388 1.00 0.00 C ATOM 348 CD2 TYR A 21 9.585 4.282 1.819 1.00 0.00 C ATOM 349 CE1 TYR A 21 11.831 3.518 3.226 1.00 0.00 C ATOM 350 CE2 TYR A 21 10.213 5.185 2.653 1.00 0.00 C ATOM 351 CZ TYR A 21 11.335 4.798 3.356 1.00 0.00 C ATOM 352 OH TYR A 21 11.962 5.693 4.192 1.00 0.00 O ATOM 0 H TYR A 21 10.244 3.963 -0.705 1.00 0.00 H new ATOM 0 HA TYR A 21 10.716 1.067 -0.638 1.00 0.00 H new ATOM 0 HB2 TYR A 21 8.325 2.292 0.657 1.00 0.00 H new ATOM 0 HB3 TYR A 21 9.381 1.017 1.233 1.00 0.00 H new ATOM 0 HD1 TYR A 21 11.587 1.620 2.289 1.00 0.00 H new ATOM 0 HD2 TYR A 21 8.705 4.587 1.273 1.00 0.00 H new ATOM 0 HE1 TYR A 21 12.710 3.218 3.776 1.00 0.00 H new ATOM 0 HE2 TYR A 21 9.828 6.189 2.755 1.00 0.00 H new ATOM 0 HH TYR A 21 11.487 6.550 4.169 1.00 0.00 H new ATOM 362 N ALA A 22 8.695 2.457 -2.639 1.00 0.00 N ATOM 363 CA ALA A 22 7.680 2.275 -3.669 1.00 0.00 C ATOM 364 C ALA A 22 8.118 1.264 -4.724 1.00 0.00 C ATOM 365 O ALA A 22 7.389 0.319 -5.006 1.00 0.00 O ATOM 366 CB ALA A 22 7.344 3.606 -4.327 1.00 0.00 C ATOM 0 H ALA A 22 9.234 3.318 -2.730 1.00 0.00 H new ATOM 0 HA ALA A 22 6.788 1.882 -3.181 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.585 3.452 -5.093 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.965 4.298 -3.575 1.00 0.00 H new ATOM 0 HB3 ALA A 22 8.241 4.023 -4.784 1.00 0.00 H new ATOM 372 N TRP A 23 9.301 1.471 -5.315 1.00 0.00 N ATOM 373 CA TRP A 23 9.801 0.567 -6.356 1.00 0.00 C ATOM 374 C TRP A 23 9.982 -0.876 -5.859 1.00 0.00 C ATOM 375 O TRP A 23 9.672 -1.811 -6.600 1.00 0.00 O ATOM 376 CB TRP A 23 11.100 1.092 -6.990 1.00 0.00 C ATOM 377 CG TRP A 23 12.274 1.149 -6.061 1.00 0.00 C ATOM 378 CD1 TRP A 23 12.641 2.200 -5.275 1.00 0.00 C ATOM 379 CD2 TRP A 23 13.245 0.119 -5.837 1.00 0.00 C ATOM 380 NE1 TRP A 23 13.773 1.887 -4.566 1.00 0.00 N ATOM 381 CE2 TRP A 23 14.166 0.614 -4.895 1.00 0.00 C ATOM 382 CE3 TRP A 23 13.423 -1.175 -6.337 1.00 0.00 C ATOM 383 CZ2 TRP A 23 15.248 -0.137 -4.444 1.00 0.00 C ATOM 384 CZ3 TRP A 23 14.497 -1.920 -5.889 1.00 0.00 C ATOM 385 CH2 TRP A 23 15.398 -1.399 -4.952 1.00 0.00 C ATOM 0 H TRP A 23 9.924 2.248 -5.093 1.00 0.00 H new ATOM 0 HA TRP A 23 9.030 0.544 -7.126 1.00 0.00 H new ATOM 0 HB2 TRP A 23 11.356 0.457 -7.838 1.00 0.00 H new ATOM 0 HB3 TRP A 23 10.917 2.092 -7.384 1.00 0.00 H new ATOM 0 HD1 TRP A 23 12.117 3.143 -5.218 1.00 0.00 H new ATOM 0 HE1 TRP A 23 14.246 2.501 -3.902 1.00 0.00 H new ATOM 0 HE3 TRP A 23 12.733 -1.585 -7.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 15.943 0.262 -3.720 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 14.644 -2.921 -6.268 1.00 0.00 H new ATOM 0 HH2 TRP A 23 16.229 -2.006 -4.623 1.00 0.00 H new ATOM 396 N PRO A 24 10.472 -1.106 -4.612 1.00 0.00 N ATOM 397 CA PRO A 24 10.655 -2.469 -4.096 1.00 0.00 C ATOM 398 C PRO A 24 9.327 -3.206 -3.935 1.00 0.00 C ATOM 399 O PRO A 24 9.250 -4.414 -4.160 1.00 0.00 O ATOM 400 CB PRO A 24 11.329 -2.264 -2.737 1.00 0.00 C ATOM 401 CG PRO A 24 10.987 -0.872 -2.341 1.00 0.00 C ATOM 402 CD PRO A 24 10.876 -0.089 -3.619 1.00 0.00 C ATOM 0 HA PRO A 24 11.243 -3.084 -4.777 1.00 0.00 H new ATOM 0 HB2 PRO A 24 10.964 -2.983 -2.004 1.00 0.00 H new ATOM 0 HB3 PRO A 24 12.408 -2.400 -2.808 1.00 0.00 H new ATOM 0 HG2 PRO A 24 10.050 -0.844 -1.785 1.00 0.00 H new ATOM 0 HG3 PRO A 24 11.755 -0.452 -1.692 1.00 0.00 H new ATOM 0 HD2 PRO A 24 10.138 0.709 -3.538 1.00 0.00 H new ATOM 0 HD3 PRO A 24 11.823 0.379 -3.887 1.00 0.00 H new ATOM 410 N PHE A 25 8.282 -2.468 -3.553 1.00 0.00 N ATOM 411 CA PHE A 25 6.951 -3.048 -3.373 1.00 0.00 C ATOM 412 C PHE A 25 6.061 -2.819 -4.607 1.00 0.00 C ATOM 413 O PHE A 25 4.898 -3.227 -4.622 1.00 0.00 O ATOM 414 CB PHE A 25 6.284 -2.458 -2.124 1.00 0.00 C ATOM 415 CG PHE A 25 6.820 -3.011 -0.830 1.00 0.00 C ATOM 416 CD1 PHE A 25 8.013 -2.542 -0.298 1.00 0.00 C ATOM 417 CD2 PHE A 25 6.130 -4.000 -0.146 1.00 0.00 C ATOM 418 CE1 PHE A 25 8.505 -3.049 0.891 1.00 0.00 C ATOM 419 CE2 PHE A 25 6.617 -4.510 1.043 1.00 0.00 C ATOM 420 CZ PHE A 25 7.806 -4.034 1.562 1.00 0.00 C ATOM 0 H PHE A 25 8.333 -1.467 -3.363 1.00 0.00 H new ATOM 0 HA PHE A 25 7.071 -4.124 -3.245 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.418 -1.376 -2.129 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.212 -2.647 -2.173 1.00 0.00 H new ATOM 0 HD1 PHE A 25 8.563 -1.772 -0.818 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.201 -4.377 -0.547 1.00 0.00 H new ATOM 0 HE1 PHE A 25 9.435 -2.675 1.295 1.00 0.00 H new ATOM 0 HE2 PHE A 25 6.069 -5.280 1.566 1.00 0.00 H new ATOM 0 HZ PHE A 25 8.188 -4.431 2.491 1.00 0.00 H new ATOM 430 N TYR A 26 6.609 -2.157 -5.635 1.00 0.00 N ATOM 431 CA TYR A 26 5.862 -1.868 -6.860 1.00 0.00 C ATOM 432 C TYR A 26 5.787 -3.088 -7.777 1.00 0.00 C ATOM 433 O TYR A 26 4.697 -3.523 -8.150 1.00 0.00 O ATOM 434 CB TYR A 26 6.510 -0.705 -7.616 1.00 0.00 C ATOM 435 CG TYR A 26 5.520 0.287 -8.178 1.00 0.00 C ATOM 436 CD1 TYR A 26 4.526 -0.118 -9.059 1.00 0.00 C ATOM 437 CD2 TYR A 26 5.586 1.631 -7.833 1.00 0.00 C ATOM 438 CE1 TYR A 26 3.625 0.787 -9.580 1.00 0.00 C ATOM 439 CE2 TYR A 26 4.689 2.543 -8.352 1.00 0.00 C ATOM 440 CZ TYR A 26 3.710 2.115 -9.226 1.00 0.00 C ATOM 441 OH TYR A 26 2.815 3.018 -9.748 1.00 0.00 O ATOM 0 H TYR A 26 7.569 -1.812 -5.639 1.00 0.00 H new ATOM 0 HA TYR A 26 4.848 -1.597 -6.565 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.191 -0.183 -6.944 1.00 0.00 H new ATOM 0 HB3 TYR A 26 7.111 -1.105 -8.432 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.457 -1.158 -9.341 1.00 0.00 H new ATOM 0 HD2 TYR A 26 6.351 1.967 -7.148 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.856 0.456 -10.262 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.753 3.585 -8.076 1.00 0.00 H new ATOM 0 HH TYR A 26 2.186 3.297 -9.050 1.00 0.00 H new ATOM 451 N LYS A 27 6.951 -3.627 -8.148 1.00 0.00 N ATOM 452 CA LYS A 27 7.012 -4.792 -9.032 1.00 0.00 C ATOM 453 C LYS A 27 6.436 -6.031 -8.345 1.00 0.00 C ATOM 454 O LYS A 27 6.622 -6.224 -7.141 1.00 0.00 O ATOM 455 CB LYS A 27 8.457 -5.060 -9.467 1.00 0.00 C ATOM 456 CG LYS A 27 8.800 -4.506 -10.844 1.00 0.00 C ATOM 457 CD LYS A 27 8.779 -2.984 -10.859 1.00 0.00 C ATOM 458 CE LYS A 27 7.624 -2.447 -11.694 1.00 0.00 C ATOM 459 NZ LYS A 27 6.809 -1.449 -10.945 1.00 0.00 N ATOM 0 H LYS A 27 7.861 -3.276 -7.851 1.00 0.00 H new ATOM 0 HA LYS A 27 6.410 -4.575 -9.915 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.134 -4.625 -8.732 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.633 -6.136 -9.465 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.787 -4.859 -11.143 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.089 -4.887 -11.577 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.695 -2.611 -9.838 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.722 -2.611 -11.258 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.016 -1.987 -12.601 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.987 -3.275 -12.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.155 -0.974 -11.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.265 -1.932 -10.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.437 -0.743 -10.511 1.00 0.00 H new ATOM 473 N PRO A 28 5.724 -6.889 -9.104 1.00 0.00 N ATOM 474 CA PRO A 28 5.120 -8.109 -8.561 1.00 0.00 C ATOM 475 C PRO A 28 6.142 -9.226 -8.342 1.00 0.00 C ATOM 476 O PRO A 28 7.346 -9.024 -8.519 1.00 0.00 O ATOM 477 CB PRO A 28 4.112 -8.503 -9.641 1.00 0.00 C ATOM 478 CG PRO A 28 4.704 -7.995 -10.910 1.00 0.00 C ATOM 479 CD PRO A 28 5.450 -6.736 -10.550 1.00 0.00 C ATOM 0 HA PRO A 28 4.677 -7.945 -7.579 1.00 0.00 H new ATOM 0 HB2 PRO A 28 3.969 -9.583 -9.675 1.00 0.00 H new ATOM 0 HB3 PRO A 28 3.135 -8.058 -9.453 1.00 0.00 H new ATOM 0 HG2 PRO A 28 5.375 -8.733 -11.350 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.928 -7.790 -11.647 1.00 0.00 H new ATOM 0 HD2 PRO A 28 6.372 -6.639 -11.124 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.854 -5.846 -10.752 1.00 0.00 H new ATOM 487 N VAL A 29 5.653 -10.405 -7.960 1.00 0.00 N ATOM 488 CA VAL A 29 6.515 -11.556 -7.721 1.00 0.00 C ATOM 489 C VAL A 29 6.009 -12.778 -8.481 1.00 0.00 C ATOM 490 O VAL A 29 5.010 -13.392 -8.097 1.00 0.00 O ATOM 491 CB VAL A 29 6.614 -11.900 -6.218 1.00 0.00 C ATOM 492 CG1 VAL A 29 7.661 -12.982 -5.987 1.00 0.00 C ATOM 493 CG2 VAL A 29 6.932 -10.656 -5.398 1.00 0.00 C ATOM 0 H VAL A 29 4.661 -10.586 -7.810 1.00 0.00 H new ATOM 0 HA VAL A 29 7.508 -11.285 -8.080 1.00 0.00 H new ATOM 0 HB VAL A 29 5.647 -12.282 -5.889 1.00 0.00 H new ATOM 0 HG11 VAL A 29 7.718 -13.212 -4.923 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.384 -13.880 -6.538 1.00 0.00 H new ATOM 0 HG13 VAL A 29 8.632 -12.629 -6.334 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.997 -10.922 -4.343 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.884 -10.238 -5.726 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.143 -9.917 -5.538 1.00 0.00 H new ATOM 503 N ASP A 30 6.704 -13.124 -9.564 1.00 0.00 N ATOM 504 CA ASP A 30 6.329 -14.274 -10.384 1.00 0.00 C ATOM 505 C ASP A 30 6.907 -15.566 -9.805 1.00 0.00 C ATOM 506 O ASP A 30 7.973 -16.025 -10.223 1.00 0.00 O ATOM 507 CB ASP A 30 6.816 -14.083 -11.823 1.00 0.00 C ATOM 508 CG ASP A 30 6.072 -12.984 -12.565 1.00 0.00 C ATOM 509 OD1 ASP A 30 5.583 -12.037 -11.910 1.00 0.00 O ATOM 510 OD2 ASP A 30 5.981 -13.068 -13.807 1.00 0.00 O ATOM 0 H ASP A 30 7.530 -12.624 -9.893 1.00 0.00 H new ATOM 0 HA ASP A 30 5.242 -14.350 -10.384 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.880 -13.849 -11.812 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.702 -15.021 -12.366 1.00 0.00 H new ATOM 515 N ALA A 31 6.193 -16.147 -8.841 1.00 0.00 N ATOM 516 CA ALA A 31 6.624 -17.389 -8.198 1.00 0.00 C ATOM 517 C ALA A 31 6.782 -18.522 -9.214 1.00 0.00 C ATOM 518 O ALA A 31 7.637 -19.392 -9.050 1.00 0.00 O ATOM 519 CB ALA A 31 5.637 -17.793 -7.111 1.00 0.00 C ATOM 0 H ALA A 31 5.311 -15.776 -8.487 1.00 0.00 H new ATOM 0 HA ALA A 31 7.599 -17.206 -7.746 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.971 -18.718 -6.642 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.581 -17.005 -6.360 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.652 -17.945 -7.552 1.00 0.00 H new ATOM 525 N SER A 32 5.956 -18.504 -10.264 1.00 0.00 N ATOM 526 CA SER A 32 6.014 -19.533 -11.304 1.00 0.00 C ATOM 527 C SER A 32 7.328 -19.455 -12.083 1.00 0.00 C ATOM 528 O SER A 32 7.863 -20.478 -12.512 1.00 0.00 O ATOM 529 CB SER A 32 4.829 -19.400 -12.266 1.00 0.00 C ATOM 530 OG SER A 32 3.608 -19.725 -11.623 1.00 0.00 O ATOM 0 H SER A 32 5.242 -17.791 -10.415 1.00 0.00 H new ATOM 0 HA SER A 32 5.961 -20.504 -10.811 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.781 -18.381 -12.650 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.978 -20.057 -13.123 1.00 0.00 H new ATOM 0 HG SER A 32 2.868 -19.630 -12.259 1.00 0.00 H new ATOM 536 N ALA A 33 7.843 -18.237 -12.260 1.00 0.00 N ATOM 537 CA ALA A 33 9.096 -18.026 -12.980 1.00 0.00 C ATOM 538 C ALA A 33 10.300 -18.282 -12.076 1.00 0.00 C ATOM 539 O ALA A 33 11.188 -19.062 -12.422 1.00 0.00 O ATOM 540 CB ALA A 33 9.150 -16.613 -13.545 1.00 0.00 C ATOM 0 H ALA A 33 7.409 -17.381 -11.913 1.00 0.00 H new ATOM 0 HA ALA A 33 9.135 -18.738 -13.805 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.089 -16.470 -14.079 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.316 -16.463 -14.231 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.083 -15.892 -12.730 1.00 0.00 H new ATOM 546 N LEU A 34 10.326 -17.618 -10.919 1.00 0.00 N ATOM 547 CA LEU A 34 11.425 -17.775 -9.965 1.00 0.00 C ATOM 548 C LEU A 34 11.492 -19.200 -9.418 1.00 0.00 C ATOM 549 O LEU A 34 12.577 -19.755 -9.246 1.00 0.00 O ATOM 550 CB LEU A 34 11.275 -16.792 -8.802 1.00 0.00 C ATOM 551 CG LEU A 34 11.645 -15.342 -9.119 1.00 0.00 C ATOM 552 CD1 LEU A 34 10.775 -14.385 -8.316 1.00 0.00 C ATOM 553 CD2 LEU A 34 13.123 -15.092 -8.839 1.00 0.00 C ATOM 0 H LEU A 34 9.600 -16.967 -10.620 1.00 0.00 H new ATOM 0 HA LEU A 34 12.350 -17.565 -10.501 1.00 0.00 H new ATOM 0 HB2 LEU A 34 10.242 -16.819 -8.457 1.00 0.00 H new ATOM 0 HB3 LEU A 34 11.896 -17.136 -7.975 1.00 0.00 H new ATOM 0 HG LEU A 34 11.465 -15.163 -10.179 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.050 -13.357 -8.553 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.727 -14.547 -8.568 1.00 0.00 H new ATOM 0 HD13 LEU A 34 10.924 -14.564 -7.251 1.00 0.00 H new ATOM 0 HD21 LEU A 34 13.367 -14.055 -9.071 1.00 0.00 H new ATOM 0 HD22 LEU A 34 13.332 -15.288 -7.787 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.728 -15.754 -9.459 1.00 0.00 H new ATOM 565 N GLY A 35 10.326 -19.779 -9.136 1.00 0.00 N ATOM 566 CA GLY A 35 10.269 -21.128 -8.600 1.00 0.00 C ATOM 567 C GLY A 35 9.998 -21.152 -7.105 1.00 0.00 C ATOM 568 O GLY A 35 10.496 -22.027 -6.396 1.00 0.00 O ATOM 0 H GLY A 35 9.417 -19.335 -9.270 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.489 -21.687 -9.116 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.212 -21.636 -8.803 1.00 0.00 H new ATOM 572 N LEU A 36 9.203 -20.192 -6.625 1.00 0.00 N ATOM 573 CA LEU A 36 8.865 -20.111 -5.205 1.00 0.00 C ATOM 574 C LEU A 36 7.435 -20.590 -4.957 1.00 0.00 C ATOM 575 O LEU A 36 6.521 -19.782 -4.776 1.00 0.00 O ATOM 576 CB LEU A 36 9.032 -18.674 -4.695 1.00 0.00 C ATOM 577 CG LEU A 36 10.444 -18.094 -4.819 1.00 0.00 C ATOM 578 CD1 LEU A 36 10.380 -16.611 -5.156 1.00 0.00 C ATOM 579 CD2 LEU A 36 11.228 -18.325 -3.534 1.00 0.00 C ATOM 0 H LEU A 36 8.783 -19.462 -7.200 1.00 0.00 H new ATOM 0 HA LEU A 36 9.548 -20.762 -4.659 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.343 -18.030 -5.242 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.735 -18.641 -3.647 1.00 0.00 H new ATOM 0 HG LEU A 36 10.962 -18.606 -5.630 1.00 0.00 H new ATOM 0 HD11 LEU A 36 11.391 -16.213 -5.241 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.856 -16.475 -6.102 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.847 -16.081 -4.367 1.00 0.00 H new ATOM 0 HD21 LEU A 36 12.229 -17.907 -3.639 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.717 -17.839 -2.703 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.300 -19.395 -3.339 1.00 0.00 H new ATOM 591 N HIS A 37 7.247 -21.911 -4.944 1.00 0.00 N ATOM 592 CA HIS A 37 5.926 -22.495 -4.710 1.00 0.00 C ATOM 593 C HIS A 37 5.411 -22.138 -3.316 1.00 0.00 C ATOM 594 O HIS A 37 4.215 -21.907 -3.133 1.00 0.00 O ATOM 595 CB HIS A 37 5.968 -24.014 -4.874 1.00 0.00 C ATOM 596 CG HIS A 37 4.901 -24.546 -5.780 1.00 0.00 C ATOM 597 ND1 HIS A 37 5.044 -24.618 -7.149 1.00 0.00 N ATOM 598 CD2 HIS A 37 3.670 -25.039 -5.505 1.00 0.00 C ATOM 599 CE1 HIS A 37 3.949 -25.135 -7.677 1.00 0.00 C ATOM 600 NE2 HIS A 37 3.100 -25.399 -6.702 1.00 0.00 N ATOM 0 H HIS A 37 7.990 -22.594 -5.092 1.00 0.00 H new ATOM 0 HA HIS A 37 5.244 -22.080 -5.452 1.00 0.00 H new ATOM 0 HB2 HIS A 37 6.943 -24.302 -5.266 1.00 0.00 H new ATOM 0 HB3 HIS A 37 5.867 -24.480 -3.894 1.00 0.00 H new ATOM 0 HD2 HIS A 37 3.220 -25.132 -4.527 1.00 0.00 H new ATOM 0 HE1 HIS A 37 3.778 -25.312 -8.729 1.00 0.00 H new ATOM 0 HE2 HIS A 37 2.171 -25.805 -6.818 1.00 0.00 H new ATOM 609 N ASP A 38 6.323 -22.087 -2.340 1.00 0.00 N ATOM 610 CA ASP A 38 5.964 -21.745 -0.962 1.00 0.00 C ATOM 611 C ASP A 38 5.326 -20.355 -0.889 1.00 0.00 C ATOM 612 O ASP A 38 4.416 -20.126 -0.091 1.00 0.00 O ATOM 613 CB ASP A 38 7.195 -21.812 -0.048 1.00 0.00 C ATOM 614 CG ASP A 38 8.270 -20.796 -0.403 1.00 0.00 C ATOM 615 OD1 ASP A 38 8.644 -20.706 -1.593 1.00 0.00 O ATOM 616 OD2 ASP A 38 8.745 -20.094 0.514 1.00 0.00 O ATOM 0 H ASP A 38 7.315 -22.278 -2.480 1.00 0.00 H new ATOM 0 HA ASP A 38 5.233 -22.476 -0.617 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.881 -21.652 0.983 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.622 -22.814 -0.099 1.00 0.00 H new ATOM 621 N TYR A 39 5.801 -19.434 -1.736 1.00 0.00 N ATOM 622 CA TYR A 39 5.265 -18.069 -1.779 1.00 0.00 C ATOM 623 C TYR A 39 3.742 -18.087 -1.932 1.00 0.00 C ATOM 624 O TYR A 39 3.045 -17.248 -1.362 1.00 0.00 O ATOM 625 CB TYR A 39 5.905 -17.287 -2.936 1.00 0.00 C ATOM 626 CG TYR A 39 5.498 -15.826 -3.017 1.00 0.00 C ATOM 627 CD1 TYR A 39 5.989 -14.889 -2.113 1.00 0.00 C ATOM 628 CD2 TYR A 39 4.636 -15.380 -4.014 1.00 0.00 C ATOM 629 CE1 TYR A 39 5.633 -13.555 -2.200 1.00 0.00 C ATOM 630 CE2 TYR A 39 4.274 -14.048 -4.105 1.00 0.00 C ATOM 631 CZ TYR A 39 4.776 -13.140 -3.197 1.00 0.00 C ATOM 632 OH TYR A 39 4.422 -11.812 -3.289 1.00 0.00 O ATOM 0 H TYR A 39 6.555 -19.609 -2.400 1.00 0.00 H new ATOM 0 HA TYR A 39 5.508 -17.575 -0.839 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.989 -17.343 -2.838 1.00 0.00 H new ATOM 0 HB3 TYR A 39 5.644 -17.775 -3.875 1.00 0.00 H new ATOM 0 HD1 TYR A 39 6.660 -15.209 -1.329 1.00 0.00 H new ATOM 0 HD2 TYR A 39 4.242 -16.087 -4.730 1.00 0.00 H new ATOM 0 HE1 TYR A 39 6.025 -12.842 -1.490 1.00 0.00 H new ATOM 0 HE2 TYR A 39 3.601 -13.721 -4.884 1.00 0.00 H new ATOM 0 HH TYR A 39 3.813 -11.688 -4.047 1.00 0.00 H new ATOM 642 N HIS A 40 3.232 -19.054 -2.700 1.00 0.00 N ATOM 643 CA HIS A 40 1.792 -19.184 -2.917 1.00 0.00 C ATOM 644 C HIS A 40 1.145 -20.116 -1.885 1.00 0.00 C ATOM 645 O HIS A 40 -0.058 -20.032 -1.641 1.00 0.00 O ATOM 646 CB HIS A 40 1.509 -19.699 -4.328 1.00 0.00 C ATOM 647 CG HIS A 40 0.270 -19.115 -4.936 1.00 0.00 C ATOM 648 ND1 HIS A 40 -0.973 -19.704 -4.831 1.00 0.00 N ATOM 649 CD2 HIS A 40 0.088 -17.983 -5.656 1.00 0.00 C ATOM 650 CE1 HIS A 40 -1.865 -18.960 -5.462 1.00 0.00 C ATOM 651 NE2 HIS A 40 -1.247 -17.910 -5.970 1.00 0.00 N ATOM 0 H HIS A 40 3.795 -19.756 -3.180 1.00 0.00 H new ATOM 0 HA HIS A 40 1.354 -18.193 -2.799 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.361 -19.471 -4.968 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.414 -20.784 -4.299 1.00 0.00 H new ATOM 0 HD2 HIS A 40 0.851 -17.270 -5.932 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -2.920 -19.175 -5.547 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -1.689 -17.165 -6.508 1.00 0.00 H new ATOM 660 N ASP A 41 1.940 -21.007 -1.287 1.00 0.00 N ATOM 661 CA ASP A 41 1.422 -21.946 -0.290 1.00 0.00 C ATOM 662 C ASP A 41 0.987 -21.216 0.982 1.00 0.00 C ATOM 663 O ASP A 41 -0.157 -21.348 1.416 1.00 0.00 O ATOM 664 CB ASP A 41 2.471 -23.014 0.049 1.00 0.00 C ATOM 665 CG ASP A 41 1.925 -24.098 0.961 1.00 0.00 C ATOM 666 OD1 ASP A 41 0.874 -24.685 0.625 1.00 0.00 O ATOM 667 OD2 ASP A 41 2.548 -24.361 2.011 1.00 0.00 O ATOM 0 H ASP A 41 2.939 -21.098 -1.474 1.00 0.00 H new ATOM 0 HA ASP A 41 0.549 -22.436 -0.721 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.833 -23.468 -0.873 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.327 -22.538 0.528 1.00 0.00 H new ATOM 672 N ILE A 42 1.903 -20.445 1.573 1.00 0.00 N ATOM 673 CA ILE A 42 1.599 -19.698 2.795 1.00 0.00 C ATOM 674 C ILE A 42 0.681 -18.511 2.507 1.00 0.00 C ATOM 675 O ILE A 42 -0.392 -18.392 3.101 1.00 0.00 O ATOM 676 CB ILE A 42 2.877 -19.183 3.497 1.00 0.00 C ATOM 677 CG1 ILE A 42 3.892 -20.319 3.666 1.00 0.00 C ATOM 678 CG2 ILE A 42 2.532 -18.568 4.849 1.00 0.00 C ATOM 679 CD1 ILE A 42 5.129 -20.157 2.809 1.00 0.00 C ATOM 0 H ILE A 42 2.855 -20.322 1.228 1.00 0.00 H new ATOM 0 HA ILE A 42 1.093 -20.398 3.460 1.00 0.00 H new ATOM 0 HB ILE A 42 3.326 -18.411 2.872 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.190 -20.376 4.713 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.410 -21.265 3.420 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.443 -18.211 5.329 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.846 -17.733 4.705 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.060 -19.320 5.481 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.803 -20.997 2.980 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.842 -20.130 1.758 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.634 -19.227 3.071 1.00 0.00 H new ATOM 691 N ILE A 43 1.109 -17.633 1.600 1.00 0.00 N ATOM 692 CA ILE A 43 0.323 -16.456 1.246 1.00 0.00 C ATOM 693 C ILE A 43 -0.917 -16.845 0.437 1.00 0.00 C ATOM 694 O ILE A 43 -2.043 -16.716 0.920 1.00 0.00 O ATOM 695 CB ILE A 43 1.164 -15.429 0.448 1.00 0.00 C ATOM 696 CG1 ILE A 43 2.436 -15.061 1.220 1.00 0.00 C ATOM 697 CG2 ILE A 43 0.346 -14.181 0.147 1.00 0.00 C ATOM 698 CD1 ILE A 43 3.491 -14.389 0.367 1.00 0.00 C ATOM 0 H ILE A 43 1.994 -17.716 1.099 1.00 0.00 H new ATOM 0 HA ILE A 43 0.006 -15.992 2.180 1.00 0.00 H new ATOM 0 HB ILE A 43 1.453 -15.886 -0.498 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.172 -14.399 2.044 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.858 -15.965 1.660 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.956 -13.473 -0.414 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.529 -14.453 -0.443 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.025 -13.722 1.082 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.362 -14.158 0.980 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.784 -15.057 -0.442 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.087 -13.467 -0.052 1.00 0.00 H new ATOM 710 N LYS A 44 -0.699 -17.317 -0.795 1.00 0.00 N ATOM 711 CA LYS A 44 -1.781 -17.731 -1.697 1.00 0.00 C ATOM 712 C LYS A 44 -2.471 -16.539 -2.364 1.00 0.00 C ATOM 713 O LYS A 44 -2.998 -16.669 -3.470 1.00 0.00 O ATOM 714 CB LYS A 44 -2.810 -18.586 -0.960 1.00 0.00 C ATOM 715 CG LYS A 44 -3.362 -19.725 -1.806 1.00 0.00 C ATOM 716 CD LYS A 44 -4.620 -20.321 -1.197 1.00 0.00 C ATOM 717 CE LYS A 44 -5.805 -20.207 -2.145 1.00 0.00 C ATOM 718 NZ LYS A 44 -6.726 -21.374 -2.037 1.00 0.00 N ATOM 0 H LYS A 44 0.233 -17.423 -1.196 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.320 -18.328 -2.484 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.352 -18.999 -0.061 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.634 -17.951 -0.635 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.582 -19.359 -2.809 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.604 -20.502 -1.909 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.447 -21.369 -0.954 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.850 -19.811 -0.262 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.355 -19.291 -1.928 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.442 -20.126 -3.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.518 -21.254 -2.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.210 -22.246 -2.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.094 -21.437 -1.066 1.00 0.00 H new ATOM 732 N HIS A 45 -2.463 -15.383 -1.699 1.00 0.00 N ATOM 733 CA HIS A 45 -3.088 -14.181 -2.245 1.00 0.00 C ATOM 734 C HIS A 45 -2.068 -13.041 -2.365 1.00 0.00 C ATOM 735 O HIS A 45 -2.270 -11.956 -1.815 1.00 0.00 O ATOM 736 CB HIS A 45 -4.264 -13.744 -1.362 1.00 0.00 C ATOM 737 CG HIS A 45 -5.268 -14.826 -1.096 1.00 0.00 C ATOM 738 ND1 HIS A 45 -5.976 -14.918 0.084 1.00 0.00 N ATOM 739 CD2 HIS A 45 -5.686 -15.862 -1.863 1.00 0.00 C ATOM 740 CE1 HIS A 45 -6.785 -15.961 0.031 1.00 0.00 C ATOM 741 NE2 HIS A 45 -6.628 -16.551 -1.140 1.00 0.00 N ATOM 0 H HIS A 45 -2.031 -15.255 -0.784 1.00 0.00 H new ATOM 0 HA HIS A 45 -3.461 -14.415 -3.242 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.875 -13.383 -0.410 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.769 -12.904 -1.839 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -5.889 -14.280 0.875 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -5.342 -16.101 -2.858 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.460 -16.277 0.812 1.00 0.00 H new ATOM 750 N PRO A 46 -0.954 -13.276 -3.090 1.00 0.00 N ATOM 751 CA PRO A 46 0.096 -12.267 -3.279 1.00 0.00 C ATOM 752 C PRO A 46 -0.342 -11.133 -4.205 1.00 0.00 C ATOM 753 O PRO A 46 -1.032 -11.364 -5.199 1.00 0.00 O ATOM 754 CB PRO A 46 1.239 -13.065 -3.908 1.00 0.00 C ATOM 755 CG PRO A 46 0.570 -14.196 -4.608 1.00 0.00 C ATOM 756 CD PRO A 46 -0.634 -14.540 -3.780 1.00 0.00 C ATOM 0 HA PRO A 46 0.364 -11.776 -2.344 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.813 -12.453 -4.603 1.00 0.00 H new ATOM 0 HB3 PRO A 46 1.935 -13.424 -3.150 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.280 -13.912 -5.620 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.240 -15.051 -4.697 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.464 -14.879 -4.400 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.418 -15.340 -3.072 1.00 0.00 H new ATOM 764 N MET A 47 0.062 -9.907 -3.869 1.00 0.00 N ATOM 765 CA MET A 47 -0.290 -8.733 -4.667 1.00 0.00 C ATOM 766 C MET A 47 0.867 -7.733 -4.729 1.00 0.00 C ATOM 767 O MET A 47 1.894 -7.915 -4.072 1.00 0.00 O ATOM 768 CB MET A 47 -1.537 -8.059 -4.092 1.00 0.00 C ATOM 769 CG MET A 47 -2.837 -8.680 -4.576 1.00 0.00 C ATOM 770 SD MET A 47 -4.282 -8.055 -3.699 1.00 0.00 S ATOM 771 CE MET A 47 -4.062 -6.288 -3.897 1.00 0.00 C ATOM 0 H MET A 47 0.633 -9.702 -3.049 1.00 0.00 H new ATOM 0 HA MET A 47 -0.499 -9.069 -5.683 1.00 0.00 H new ATOM 0 HB2 MET A 47 -1.501 -8.112 -3.004 1.00 0.00 H new ATOM 0 HB3 MET A 47 -1.526 -7.002 -4.360 1.00 0.00 H new ATOM 0 HG2 MET A 47 -2.952 -8.484 -5.642 1.00 0.00 H new ATOM 0 HG3 MET A 47 -2.784 -9.762 -4.454 1.00 0.00 H new ATOM 0 HE1 MET A 47 -5.036 -5.800 -3.913 1.00 0.00 H new ATOM 0 HE2 MET A 47 -3.475 -5.899 -3.065 1.00 0.00 H new ATOM 0 HE3 MET A 47 -3.541 -6.089 -4.833 1.00 0.00 H new ATOM 781 N ASP A 48 0.694 -6.680 -5.530 1.00 0.00 N ATOM 782 CA ASP A 48 1.721 -5.650 -5.691 1.00 0.00 C ATOM 783 C ASP A 48 1.094 -4.263 -5.842 1.00 0.00 C ATOM 784 O ASP A 48 -0.082 -4.141 -6.192 1.00 0.00 O ATOM 785 CB ASP A 48 2.590 -5.963 -6.912 1.00 0.00 C ATOM 786 CG ASP A 48 1.762 -6.251 -8.150 1.00 0.00 C ATOM 787 OD1 ASP A 48 1.295 -7.399 -8.299 1.00 0.00 O ATOM 788 OD2 ASP A 48 1.569 -5.326 -8.963 1.00 0.00 O ATOM 0 H ASP A 48 -0.150 -6.518 -6.079 1.00 0.00 H new ATOM 0 HA ASP A 48 2.341 -5.648 -4.795 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.253 -5.120 -7.109 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.224 -6.823 -6.693 1.00 0.00 H new ATOM 793 N LEU A 49 1.887 -3.221 -5.578 1.00 0.00 N ATOM 794 CA LEU A 49 1.412 -1.837 -5.685 1.00 0.00 C ATOM 795 C LEU A 49 0.867 -1.534 -7.083 1.00 0.00 C ATOM 796 O LEU A 49 -0.097 -0.779 -7.225 1.00 0.00 O ATOM 797 CB LEU A 49 2.533 -0.850 -5.342 1.00 0.00 C ATOM 798 CG LEU A 49 2.334 -0.071 -4.037 1.00 0.00 C ATOM 799 CD1 LEU A 49 2.377 -1.012 -2.841 1.00 0.00 C ATOM 800 CD2 LEU A 49 3.387 1.021 -3.899 1.00 0.00 C ATOM 0 H LEU A 49 2.861 -3.309 -5.289 1.00 0.00 H new ATOM 0 HA LEU A 49 0.599 -1.719 -4.968 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.473 -1.398 -5.280 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.633 -0.138 -6.161 1.00 0.00 H new ATOM 0 HG LEU A 49 1.352 0.402 -4.066 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.234 -0.441 -1.924 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.584 -1.755 -2.934 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.343 -1.515 -2.808 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.229 1.563 -2.967 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.380 0.571 -3.893 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.307 1.712 -4.738 1.00 0.00 H new ATOM 812 N SER A 50 1.483 -2.125 -8.112 1.00 0.00 N ATOM 813 CA SER A 50 1.045 -1.912 -9.493 1.00 0.00 C ATOM 814 C SER A 50 -0.413 -2.336 -9.675 1.00 0.00 C ATOM 815 O SER A 50 -1.182 -1.659 -10.361 1.00 0.00 O ATOM 816 CB SER A 50 1.940 -2.682 -10.470 1.00 0.00 C ATOM 817 OG SER A 50 2.783 -1.800 -11.190 1.00 0.00 O ATOM 0 H SER A 50 2.282 -2.751 -8.015 1.00 0.00 H new ATOM 0 HA SER A 50 1.126 -0.846 -9.708 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.546 -3.404 -9.922 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.321 -3.249 -11.166 1.00 0.00 H new ATOM 0 HG SER A 50 3.227 -1.189 -10.565 1.00 0.00 H new ATOM 823 N THR A 51 -0.789 -3.453 -9.050 1.00 0.00 N ATOM 824 CA THR A 51 -2.158 -3.960 -9.136 1.00 0.00 C ATOM 825 C THR A 51 -3.104 -3.107 -8.291 1.00 0.00 C ATOM 826 O THR A 51 -4.240 -2.844 -8.691 1.00 0.00 O ATOM 827 CB THR A 51 -2.220 -5.425 -8.689 1.00 0.00 C ATOM 828 OG1 THR A 51 -1.383 -6.231 -9.501 1.00 0.00 O ATOM 829 CG2 THR A 51 -3.615 -6.015 -8.749 1.00 0.00 C ATOM 0 H THR A 51 -0.165 -4.023 -8.479 1.00 0.00 H new ATOM 0 HA THR A 51 -2.477 -3.901 -10.177 1.00 0.00 H new ATOM 0 HB THR A 51 -1.888 -5.423 -7.651 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.461 -5.903 -9.447 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.585 -7.054 -8.419 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.279 -5.446 -8.098 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.985 -5.970 -9.773 1.00 0.00 H new ATOM 837 N VAL A 52 -2.623 -2.669 -7.125 1.00 0.00 N ATOM 838 CA VAL A 52 -3.421 -1.836 -6.228 1.00 0.00 C ATOM 839 C VAL A 52 -3.857 -0.548 -6.929 1.00 0.00 C ATOM 840 O VAL A 52 -5.001 -0.111 -6.788 1.00 0.00 O ATOM 841 CB VAL A 52 -2.635 -1.470 -4.947 1.00 0.00 C ATOM 842 CG1 VAL A 52 -3.505 -0.665 -3.991 1.00 0.00 C ATOM 843 CG2 VAL A 52 -2.096 -2.723 -4.265 1.00 0.00 C ATOM 0 H VAL A 52 -1.685 -2.878 -6.782 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.300 -2.417 -5.949 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.786 -0.851 -5.236 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.932 -0.419 -3.097 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.828 0.254 -4.480 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.379 -1.254 -3.711 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.547 -2.441 -3.367 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.926 -3.375 -3.993 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.429 -3.250 -4.947 1.00 0.00 H new ATOM 853 N LYS A 53 -2.939 0.048 -7.692 1.00 0.00 N ATOM 854 CA LYS A 53 -3.227 1.281 -8.424 1.00 0.00 C ATOM 855 C LYS A 53 -4.269 1.031 -9.514 1.00 0.00 C ATOM 856 O LYS A 53 -5.205 1.814 -9.676 1.00 0.00 O ATOM 857 CB LYS A 53 -1.942 1.852 -9.038 1.00 0.00 C ATOM 858 CG LYS A 53 -2.026 3.337 -9.372 1.00 0.00 C ATOM 859 CD LYS A 53 -0.643 3.967 -9.476 1.00 0.00 C ATOM 860 CE LYS A 53 -0.666 5.241 -10.310 1.00 0.00 C ATOM 861 NZ LYS A 53 0.484 5.312 -11.258 1.00 0.00 N ATOM 0 H LYS A 53 -1.990 -0.304 -7.819 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.632 2.009 -7.721 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.117 1.691 -8.344 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.707 1.298 -9.947 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.559 3.469 -10.314 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.604 3.851 -8.604 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.270 4.193 -8.477 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.050 3.253 -9.921 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.600 5.291 -10.870 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.644 6.107 -9.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.497 6.244 -11.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.373 5.172 -10.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.385 4.570 -11.980 1.00 0.00 H new ATOM 875 N ARG A 54 -4.104 -0.071 -10.253 1.00 0.00 N ATOM 876 CA ARG A 54 -5.034 -0.429 -11.323 1.00 0.00 C ATOM 877 C ARG A 54 -6.455 -0.611 -10.782 1.00 0.00 C ATOM 878 O ARG A 54 -7.427 -0.239 -11.442 1.00 0.00 O ATOM 879 CB ARG A 54 -4.572 -1.712 -12.028 1.00 0.00 C ATOM 880 CG ARG A 54 -5.233 -1.941 -13.380 1.00 0.00 C ATOM 881 CD ARG A 54 -4.901 -3.318 -13.945 1.00 0.00 C ATOM 882 NE ARG A 54 -6.042 -3.924 -14.635 1.00 0.00 N ATOM 883 CZ ARG A 54 -6.002 -5.113 -15.246 1.00 0.00 C ATOM 884 NH1 ARG A 54 -4.880 -5.830 -15.262 1.00 0.00 N ATOM 885 NH2 ARG A 54 -7.089 -5.589 -15.844 1.00 0.00 N ATOM 0 H ARG A 54 -3.335 -0.729 -10.128 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.044 0.389 -12.044 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.491 -1.672 -12.164 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.780 -2.565 -11.383 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.314 -1.840 -13.278 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.906 -1.172 -14.080 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.064 -3.232 -14.638 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.579 -3.973 -13.135 1.00 0.00 H new ATOM 0 HE ARG A 54 -6.921 -3.407 -14.650 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.040 -5.474 -14.805 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.860 -6.736 -15.731 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -7.953 -5.048 -15.837 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -7.059 -6.496 -16.310 1.00 0.00 H new ATOM 899 N LYS A 55 -6.569 -1.182 -9.580 1.00 0.00 N ATOM 900 CA LYS A 55 -7.874 -1.408 -8.958 1.00 0.00 C ATOM 901 C LYS A 55 -8.586 -0.085 -8.677 1.00 0.00 C ATOM 902 O LYS A 55 -9.772 0.062 -8.973 1.00 0.00 O ATOM 903 CB LYS A 55 -7.719 -2.202 -7.658 1.00 0.00 C ATOM 904 CG LYS A 55 -7.466 -3.687 -7.868 1.00 0.00 C ATOM 905 CD LYS A 55 -6.612 -4.264 -6.749 1.00 0.00 C ATOM 906 CE LYS A 55 -6.753 -5.776 -6.654 1.00 0.00 C ATOM 907 NZ LYS A 55 -8.119 -6.189 -6.219 1.00 0.00 N ATOM 0 H LYS A 55 -5.776 -1.495 -9.021 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.480 -1.985 -9.657 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.894 -1.781 -7.083 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.621 -2.079 -7.059 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.417 -4.218 -7.914 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.968 -3.842 -8.825 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.567 -4.006 -6.919 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.901 -3.811 -5.801 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.532 -6.221 -7.624 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.017 -6.164 -5.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.066 -6.624 -5.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.739 -5.355 -6.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.506 -6.877 -6.896 1.00 0.00 H new ATOM 921 N MET A 56 -7.856 0.880 -8.114 1.00 0.00 N ATOM 922 CA MET A 56 -8.426 2.194 -7.805 1.00 0.00 C ATOM 923 C MET A 56 -8.817 2.931 -9.088 1.00 0.00 C ATOM 924 O MET A 56 -9.802 3.669 -9.114 1.00 0.00 O ATOM 925 CB MET A 56 -7.433 3.046 -7.008 1.00 0.00 C ATOM 926 CG MET A 56 -7.111 2.493 -5.628 1.00 0.00 C ATOM 927 SD MET A 56 -6.495 3.757 -4.497 1.00 0.00 S ATOM 928 CE MET A 56 -8.026 4.362 -3.791 1.00 0.00 C ATOM 0 H MET A 56 -6.873 0.778 -7.863 1.00 0.00 H new ATOM 0 HA MET A 56 -9.319 2.033 -7.201 1.00 0.00 H new ATOM 0 HB2 MET A 56 -6.508 3.135 -7.577 1.00 0.00 H new ATOM 0 HB3 MET A 56 -7.839 4.052 -6.899 1.00 0.00 H new ATOM 0 HG2 MET A 56 -8.007 2.039 -5.205 1.00 0.00 H new ATOM 0 HG3 MET A 56 -6.367 1.702 -5.723 1.00 0.00 H new ATOM 0 HE1 MET A 56 -7.975 5.446 -3.686 1.00 0.00 H new ATOM 0 HE2 MET A 56 -8.857 4.099 -4.445 1.00 0.00 H new ATOM 0 HE3 MET A 56 -8.179 3.910 -2.811 1.00 0.00 H new ATOM 938 N GLU A 57 -8.038 2.717 -10.148 1.00 0.00 N ATOM 939 CA GLU A 57 -8.294 3.350 -11.442 1.00 0.00 C ATOM 940 C GLU A 57 -9.524 2.749 -12.123 1.00 0.00 C ATOM 941 O GLU A 57 -10.205 3.423 -12.898 1.00 0.00 O ATOM 942 CB GLU A 57 -7.075 3.205 -12.353 1.00 0.00 C ATOM 943 CG GLU A 57 -6.100 4.365 -12.251 1.00 0.00 C ATOM 944 CD GLU A 57 -6.184 5.303 -13.440 1.00 0.00 C ATOM 945 OE1 GLU A 57 -7.200 6.019 -13.560 1.00 0.00 O ATOM 946 OE2 GLU A 57 -5.234 5.321 -14.250 1.00 0.00 O ATOM 0 H GLU A 57 -7.221 2.107 -10.136 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.487 4.408 -11.262 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.554 2.280 -12.105 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.412 3.114 -13.386 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.300 4.924 -11.337 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.085 3.976 -12.171 1.00 0.00 H new ATOM 953 N ASN A 58 -9.804 1.481 -11.828 1.00 0.00 N ATOM 954 CA ASN A 58 -10.950 0.790 -12.402 1.00 0.00 C ATOM 955 C ASN A 58 -12.122 0.754 -11.417 1.00 0.00 C ATOM 956 O ASN A 58 -13.185 0.216 -11.732 1.00 0.00 O ATOM 957 CB ASN A 58 -10.553 -0.635 -12.804 1.00 0.00 C ATOM 958 CG ASN A 58 -10.466 -0.812 -14.309 1.00 0.00 C ATOM 959 OD1 ASN A 58 -11.108 -1.693 -14.879 1.00 0.00 O ATOM 960 ND2 ASN A 58 -9.665 0.024 -14.963 1.00 0.00 N ATOM 0 H ASN A 58 -9.248 0.911 -11.191 1.00 0.00 H new ATOM 0 HA ASN A 58 -11.271 1.337 -13.288 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.590 -0.880 -12.356 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -11.281 -1.339 -12.400 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -9.566 -0.052 -15.975 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -9.150 0.741 -14.452 1.00 0.00 H new ATOM 967 N ARG A 59 -11.923 1.324 -10.219 1.00 0.00 N ATOM 968 CA ARG A 59 -12.957 1.352 -9.197 1.00 0.00 C ATOM 969 C ARG A 59 -13.296 -0.066 -8.737 1.00 0.00 C ATOM 970 O ARG A 59 -14.465 -0.434 -8.606 1.00 0.00 O ATOM 971 CB ARG A 59 -14.200 2.065 -9.725 1.00 0.00 C ATOM 972 CG ARG A 59 -15.139 2.536 -8.627 1.00 0.00 C ATOM 973 CD ARG A 59 -16.480 2.979 -9.186 1.00 0.00 C ATOM 974 NE ARG A 59 -17.317 1.840 -9.562 1.00 0.00 N ATOM 975 CZ ARG A 59 -18.586 1.946 -9.967 1.00 0.00 C ATOM 976 NH1 ARG A 59 -19.169 3.139 -10.063 1.00 0.00 N ATOM 977 NH2 ARG A 59 -19.273 0.854 -10.283 1.00 0.00 N ATOM 0 H ARG A 59 -11.049 1.771 -9.942 1.00 0.00 H new ATOM 0 HA ARG A 59 -12.583 1.905 -8.335 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -13.891 2.923 -10.322 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -14.740 1.392 -10.391 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -15.292 1.730 -7.909 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -14.680 3.363 -8.085 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -17.001 3.583 -8.443 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -16.318 3.614 -10.057 1.00 0.00 H new ATOM 0 HE ARG A 59 -16.907 0.907 -9.512 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -18.647 3.982 -9.826 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -20.138 3.210 -10.373 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -18.832 -0.063 -10.216 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -20.242 0.933 -10.592 1.00 0.00 H new ATOM 991 N ASP A 60 -12.251 -0.851 -8.490 1.00 0.00 N ATOM 992 CA ASP A 60 -12.401 -2.230 -8.037 1.00 0.00 C ATOM 993 C ASP A 60 -12.705 -2.281 -6.542 1.00 0.00 C ATOM 994 O ASP A 60 -13.457 -3.140 -6.080 1.00 0.00 O ATOM 995 CB ASP A 60 -11.120 -3.014 -8.331 1.00 0.00 C ATOM 996 CG ASP A 60 -11.248 -4.488 -8.005 1.00 0.00 C ATOM 997 OD1 ASP A 60 -11.836 -5.228 -8.820 1.00 0.00 O ATOM 998 OD2 ASP A 60 -10.753 -4.903 -6.935 1.00 0.00 O ATOM 0 H ASP A 60 -11.282 -0.551 -8.597 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.236 -2.680 -8.574 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.863 -2.900 -9.384 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.298 -2.589 -7.755 1.00 0.00 H new ATOM 1003 N TYR A 61 -12.107 -1.357 -5.792 1.00 0.00 N ATOM 1004 CA TYR A 61 -12.303 -1.295 -4.348 1.00 0.00 C ATOM 1005 C TYR A 61 -13.706 -0.800 -4.000 1.00 0.00 C ATOM 1006 O TYR A 61 -14.469 -1.498 -3.333 1.00 0.00 O ATOM 1007 CB TYR A 61 -11.255 -0.381 -3.706 1.00 0.00 C ATOM 1008 CG TYR A 61 -9.836 -0.889 -3.847 1.00 0.00 C ATOM 1009 CD1 TYR A 61 -9.369 -1.933 -3.058 1.00 0.00 C ATOM 1010 CD2 TYR A 61 -8.964 -0.324 -4.770 1.00 0.00 C ATOM 1011 CE1 TYR A 61 -8.075 -2.399 -3.185 1.00 0.00 C ATOM 1012 CE2 TYR A 61 -7.669 -0.785 -4.902 1.00 0.00 C ATOM 1013 CZ TYR A 61 -7.229 -1.821 -4.107 1.00 0.00 C ATOM 1014 OH TYR A 61 -5.938 -2.284 -4.240 1.00 0.00 O ATOM 0 H TYR A 61 -11.482 -0.641 -6.163 1.00 0.00 H new ATOM 0 HA TYR A 61 -12.188 -2.305 -3.954 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -11.324 0.609 -4.157 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -11.487 -0.265 -2.647 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -10.029 -2.388 -2.334 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -9.305 0.489 -5.394 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -7.728 -3.212 -2.565 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -7.004 -0.336 -5.625 1.00 0.00 H new ATOM 0 HH TYR A 61 -5.855 -3.154 -3.797 1.00 0.00 H new ATOM 1024 N ARG A 62 -14.034 0.414 -4.450 1.00 0.00 N ATOM 1025 CA ARG A 62 -15.342 1.018 -4.182 1.00 0.00 C ATOM 1026 C ARG A 62 -15.564 1.236 -2.680 1.00 0.00 C ATOM 1027 O ARG A 62 -16.700 1.433 -2.241 1.00 0.00 O ATOM 1028 CB ARG A 62 -16.473 0.150 -4.752 1.00 0.00 C ATOM 1029 CG ARG A 62 -16.183 -0.420 -6.132 1.00 0.00 C ATOM 1030 CD ARG A 62 -17.450 -0.536 -6.966 1.00 0.00 C ATOM 1031 NE ARG A 62 -17.446 -1.734 -7.803 1.00 0.00 N ATOM 1032 CZ ARG A 62 -18.542 -2.270 -8.350 1.00 0.00 C ATOM 1033 NH1 ARG A 62 -19.735 -1.703 -8.177 1.00 0.00 N ATOM 1034 NH2 ARG A 62 -18.444 -3.375 -9.081 1.00 0.00 N ATOM 0 H ARG A 62 -13.409 1.000 -5.004 1.00 0.00 H new ATOM 0 HA ARG A 62 -15.355 1.989 -4.676 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -16.667 -0.673 -4.064 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -17.384 0.746 -4.801 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -15.465 0.218 -6.647 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -15.722 -1.402 -6.031 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -18.318 -0.557 -6.307 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -17.551 0.347 -7.597 1.00 0.00 H new ATOM 0 HE ARG A 62 -16.551 -2.190 -7.981 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -19.819 -0.851 -7.622 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -20.564 -2.121 -8.599 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -17.534 -3.813 -9.224 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -19.279 -3.786 -9.499 1.00 0.00 H new ATOM 1048 N ASP A 63 -14.479 1.204 -1.896 1.00 0.00 N ATOM 1049 CA ASP A 63 -14.564 1.397 -0.450 1.00 0.00 C ATOM 1050 C ASP A 63 -13.171 1.446 0.175 1.00 0.00 C ATOM 1051 O ASP A 63 -12.241 0.799 -0.312 1.00 0.00 O ATOM 1052 CB ASP A 63 -15.387 0.273 0.191 1.00 0.00 C ATOM 1053 CG ASP A 63 -15.701 0.523 1.655 1.00 0.00 C ATOM 1054 OD1 ASP A 63 -15.822 1.702 2.051 1.00 0.00 O ATOM 1055 OD2 ASP A 63 -15.831 -0.463 2.406 1.00 0.00 O ATOM 0 H ASP A 63 -13.533 1.046 -2.243 1.00 0.00 H new ATOM 0 HA ASP A 63 -15.060 2.350 -0.264 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -16.320 0.156 -0.359 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -14.842 -0.666 0.098 1.00 0.00 H new ATOM 1060 N ALA A 64 -13.037 2.208 1.261 1.00 0.00 N ATOM 1061 CA ALA A 64 -11.756 2.332 1.957 1.00 0.00 C ATOM 1062 C ALA A 64 -11.412 1.041 2.694 1.00 0.00 C ATOM 1063 O ALA A 64 -10.249 0.640 2.750 1.00 0.00 O ATOM 1064 CB ALA A 64 -11.782 3.507 2.928 1.00 0.00 C ATOM 0 H ALA A 64 -13.797 2.747 1.677 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.983 2.517 1.211 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.820 3.581 3.435 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -11.975 4.429 2.379 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -12.570 3.352 3.665 1.00 0.00 H new ATOM 1070 N GLN A 65 -12.434 0.391 3.257 1.00 0.00 N ATOM 1071 CA GLN A 65 -12.240 -0.859 3.989 1.00 0.00 C ATOM 1072 C GLN A 65 -11.587 -1.919 3.102 1.00 0.00 C ATOM 1073 O GLN A 65 -10.707 -2.653 3.553 1.00 0.00 O ATOM 1074 CB GLN A 65 -13.577 -1.381 4.526 1.00 0.00 C ATOM 1075 CG GLN A 65 -13.831 -1.030 5.982 1.00 0.00 C ATOM 1076 CD GLN A 65 -13.951 0.465 6.218 1.00 0.00 C ATOM 1077 OE1 GLN A 65 -14.117 1.245 5.280 1.00 0.00 O ATOM 1078 NE2 GLN A 65 -13.869 0.871 7.481 1.00 0.00 N ATOM 0 H GLN A 65 -13.402 0.711 3.219 1.00 0.00 H new ATOM 0 HA GLN A 65 -11.576 -0.654 4.829 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -14.386 -0.976 3.918 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -13.605 -2.465 4.413 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -14.747 -1.520 6.314 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -13.019 -1.425 6.593 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -13.731 0.190 8.228 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -13.944 1.864 7.704 1.00 0.00 H new ATOM 1087 N GLU A 66 -12.008 -1.986 1.836 1.00 0.00 N ATOM 1088 CA GLU A 66 -11.442 -2.952 0.893 1.00 0.00 C ATOM 1089 C GLU A 66 -9.959 -2.670 0.661 1.00 0.00 C ATOM 1090 O GLU A 66 -9.145 -3.593 0.592 1.00 0.00 O ATOM 1091 CB GLU A 66 -12.196 -2.915 -0.440 1.00 0.00 C ATOM 1092 CG GLU A 66 -13.211 -4.037 -0.595 1.00 0.00 C ATOM 1093 CD GLU A 66 -14.580 -3.664 -0.060 1.00 0.00 C ATOM 1094 OE1 GLU A 66 -14.811 -3.843 1.155 1.00 0.00 O ATOM 1095 OE2 GLU A 66 -15.421 -3.194 -0.855 1.00 0.00 O ATOM 0 H GLU A 66 -12.734 -1.387 1.443 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.548 -3.947 1.326 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.708 -1.957 -0.532 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.477 -2.971 -1.257 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -13.297 -4.301 -1.649 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.850 -4.923 -0.073 1.00 0.00 H new ATOM 1102 N PHE A 67 -9.616 -1.387 0.550 1.00 0.00 N ATOM 1103 CA PHE A 67 -8.233 -0.973 0.336 1.00 0.00 C ATOM 1104 C PHE A 67 -7.360 -1.369 1.524 1.00 0.00 C ATOM 1105 O PHE A 67 -6.316 -1.996 1.353 1.00 0.00 O ATOM 1106 CB PHE A 67 -8.161 0.539 0.116 1.00 0.00 C ATOM 1107 CG PHE A 67 -6.848 1.012 -0.443 1.00 0.00 C ATOM 1108 CD1 PHE A 67 -6.578 0.904 -1.798 1.00 0.00 C ATOM 1109 CD2 PHE A 67 -5.887 1.572 0.385 1.00 0.00 C ATOM 1110 CE1 PHE A 67 -5.375 1.343 -2.317 1.00 0.00 C ATOM 1111 CE2 PHE A 67 -4.682 2.013 -0.128 1.00 0.00 C ATOM 1112 CZ PHE A 67 -4.426 1.899 -1.481 1.00 0.00 C ATOM 0 H PHE A 67 -10.281 -0.615 0.605 1.00 0.00 H new ATOM 0 HA PHE A 67 -7.859 -1.480 -0.553 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -8.961 0.836 -0.562 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -8.343 1.043 1.065 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -7.317 0.471 -2.456 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -6.083 1.665 1.443 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -5.177 1.252 -3.375 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.941 2.446 0.528 1.00 0.00 H new ATOM 0 HZ PHE A 67 -3.485 2.244 -1.884 1.00 0.00 H new ATOM 1122 N ALA A 68 -7.803 -1.000 2.730 1.00 0.00 N ATOM 1123 CA ALA A 68 -7.068 -1.319 3.954 1.00 0.00 C ATOM 1124 C ALA A 68 -6.804 -2.817 4.059 1.00 0.00 C ATOM 1125 O ALA A 68 -5.703 -3.236 4.415 1.00 0.00 O ATOM 1126 CB ALA A 68 -7.831 -0.832 5.180 1.00 0.00 C ATOM 0 H ALA A 68 -8.667 -0.480 2.883 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.108 -0.804 3.912 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.268 -1.079 6.080 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.965 0.248 5.120 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.807 -1.317 5.218 1.00 0.00 H new ATOM 1132 N ALA A 69 -7.821 -3.622 3.743 1.00 0.00 N ATOM 1133 CA ALA A 69 -7.692 -5.075 3.801 1.00 0.00 C ATOM 1134 C ALA A 69 -6.661 -5.580 2.792 1.00 0.00 C ATOM 1135 O ALA A 69 -5.830 -6.429 3.118 1.00 0.00 O ATOM 1136 CB ALA A 69 -9.041 -5.741 3.553 1.00 0.00 C ATOM 0 H ALA A 69 -8.739 -3.291 3.446 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.346 -5.339 4.800 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.926 -6.824 3.600 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.752 -5.418 4.314 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.411 -5.458 2.568 1.00 0.00 H new ATOM 1142 N ASP A 70 -6.720 -5.053 1.567 1.00 0.00 N ATOM 1143 CA ASP A 70 -5.792 -5.457 0.509 1.00 0.00 C ATOM 1144 C ASP A 70 -4.364 -5.004 0.811 1.00 0.00 C ATOM 1145 O ASP A 70 -3.409 -5.747 0.577 1.00 0.00 O ATOM 1146 CB ASP A 70 -6.242 -4.887 -0.842 1.00 0.00 C ATOM 1147 CG ASP A 70 -7.252 -5.775 -1.547 1.00 0.00 C ATOM 1148 OD1 ASP A 70 -8.197 -6.249 -0.880 1.00 0.00 O ATOM 1149 OD2 ASP A 70 -7.102 -5.990 -2.769 1.00 0.00 O ATOM 0 H ASP A 70 -7.399 -4.347 1.284 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.800 -6.546 0.464 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.678 -3.900 -0.688 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.371 -4.754 -1.484 1.00 0.00 H new ATOM 1154 N VAL A 71 -4.218 -3.786 1.328 1.00 0.00 N ATOM 1155 CA VAL A 71 -2.900 -3.248 1.653 1.00 0.00 C ATOM 1156 C VAL A 71 -2.309 -3.937 2.882 1.00 0.00 C ATOM 1157 O VAL A 71 -1.141 -4.329 2.880 1.00 0.00 O ATOM 1158 CB VAL A 71 -2.945 -1.724 1.889 1.00 0.00 C ATOM 1159 CG1 VAL A 71 -1.544 -1.178 2.122 1.00 0.00 C ATOM 1160 CG2 VAL A 71 -3.611 -1.016 0.716 1.00 0.00 C ATOM 0 H VAL A 71 -4.994 -3.155 1.530 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.261 -3.445 0.792 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.540 -1.533 2.782 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.596 -0.102 2.287 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.107 -1.658 2.998 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.924 -1.382 1.249 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.632 0.058 0.903 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.048 -1.214 -0.196 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -4.630 -1.384 0.600 1.00 0.00 H new ATOM 1170 N ARG A 72 -3.123 -4.086 3.927 1.00 0.00 N ATOM 1171 CA ARG A 72 -2.682 -4.735 5.160 1.00 0.00 C ATOM 1172 C ARG A 72 -2.208 -6.165 4.886 1.00 0.00 C ATOM 1173 O ARG A 72 -1.215 -6.619 5.457 1.00 0.00 O ATOM 1174 CB ARG A 72 -3.819 -4.740 6.186 1.00 0.00 C ATOM 1175 CG ARG A 72 -3.426 -5.304 7.541 1.00 0.00 C ATOM 1176 CD ARG A 72 -4.580 -6.055 8.184 1.00 0.00 C ATOM 1177 NE ARG A 72 -4.608 -7.461 7.783 1.00 0.00 N ATOM 1178 CZ ARG A 72 -5.679 -8.251 7.899 1.00 0.00 C ATOM 1179 NH1 ARG A 72 -6.816 -7.782 8.407 1.00 0.00 N ATOM 1180 NH2 ARG A 72 -5.613 -9.518 7.506 1.00 0.00 N ATOM 0 H ARG A 72 -4.091 -3.766 3.944 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.841 -4.171 5.564 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -4.179 -3.720 6.319 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -4.651 -5.322 5.789 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -2.574 -5.973 7.425 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -3.107 -4.493 8.196 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -4.496 -5.989 9.269 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.521 -5.580 7.907 1.00 0.00 H new ATOM 0 HE ARG A 72 -3.757 -7.863 7.390 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.876 -6.811 8.712 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.628 -8.394 8.491 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.745 -9.887 7.116 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.430 -10.122 7.594 1.00 0.00 H new ATOM 1194 N LEU A 73 -2.923 -6.864 4.000 1.00 0.00 N ATOM 1195 CA LEU A 73 -2.579 -8.239 3.636 1.00 0.00 C ATOM 1196 C LEU A 73 -1.245 -8.293 2.896 1.00 0.00 C ATOM 1197 O LEU A 73 -0.407 -9.148 3.179 1.00 0.00 O ATOM 1198 CB LEU A 73 -3.682 -8.848 2.763 1.00 0.00 C ATOM 1199 CG LEU A 73 -3.525 -10.341 2.455 1.00 0.00 C ATOM 1200 CD1 LEU A 73 -4.342 -11.176 3.431 1.00 0.00 C ATOM 1201 CD2 LEU A 73 -3.936 -10.635 1.019 1.00 0.00 C ATOM 0 H LEU A 73 -3.746 -6.498 3.521 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.487 -8.817 4.555 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.641 -8.695 3.259 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.720 -8.302 1.821 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.475 -10.610 2.572 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.218 -12.233 3.197 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.998 -10.987 4.448 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.395 -10.907 3.348 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.818 -11.700 0.818 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.978 -10.351 0.874 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.306 -10.065 0.336 1.00 0.00 H new ATOM 1213 N MET A 74 -1.059 -7.375 1.946 1.00 0.00 N ATOM 1214 CA MET A 74 0.173 -7.319 1.159 1.00 0.00 C ATOM 1215 C MET A 74 1.391 -7.097 2.052 1.00 0.00 C ATOM 1216 O MET A 74 2.398 -7.794 1.924 1.00 0.00 O ATOM 1217 CB MET A 74 0.086 -6.207 0.109 1.00 0.00 C ATOM 1218 CG MET A 74 0.767 -6.556 -1.204 1.00 0.00 C ATOM 1219 SD MET A 74 0.301 -5.442 -2.544 1.00 0.00 S ATOM 1220 CE MET A 74 1.318 -4.018 -2.171 1.00 0.00 C ATOM 0 H MET A 74 -1.746 -6.661 1.703 1.00 0.00 H new ATOM 0 HA MET A 74 0.289 -8.279 0.655 1.00 0.00 H new ATOM 0 HB2 MET A 74 -0.963 -5.982 -0.084 1.00 0.00 H new ATOM 0 HB3 MET A 74 0.537 -5.301 0.513 1.00 0.00 H new ATOM 0 HG2 MET A 74 1.848 -6.523 -1.068 1.00 0.00 H new ATOM 0 HG3 MET A 74 0.511 -7.579 -1.481 1.00 0.00 H new ATOM 0 HE1 MET A 74 0.683 -3.143 -2.035 1.00 0.00 H new ATOM 0 HE2 MET A 74 1.882 -4.203 -1.257 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.010 -3.840 -2.994 1.00 0.00 H new ATOM 1230 N PHE A 75 1.290 -6.128 2.964 1.00 0.00 N ATOM 1231 CA PHE A 75 2.385 -5.825 3.882 1.00 0.00 C ATOM 1232 C PHE A 75 2.641 -7.002 4.820 1.00 0.00 C ATOM 1233 O PHE A 75 3.790 -7.382 5.050 1.00 0.00 O ATOM 1234 CB PHE A 75 2.076 -4.563 4.693 1.00 0.00 C ATOM 1235 CG PHE A 75 2.481 -3.293 3.999 1.00 0.00 C ATOM 1236 CD1 PHE A 75 1.750 -2.810 2.924 1.00 0.00 C ATOM 1237 CD2 PHE A 75 3.597 -2.585 4.417 1.00 0.00 C ATOM 1238 CE1 PHE A 75 2.124 -1.645 2.283 1.00 0.00 C ATOM 1239 CE2 PHE A 75 3.975 -1.419 3.778 1.00 0.00 C ATOM 1240 CZ PHE A 75 3.237 -0.949 2.710 1.00 0.00 C ATOM 0 H PHE A 75 0.463 -5.543 3.085 1.00 0.00 H new ATOM 0 HA PHE A 75 3.284 -5.648 3.291 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.007 -4.528 4.904 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.588 -4.623 5.653 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.879 -3.351 2.584 1.00 0.00 H new ATOM 0 HD2 PHE A 75 4.178 -2.949 5.252 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.546 -1.279 1.448 1.00 0.00 H new ATOM 0 HE2 PHE A 75 4.846 -0.876 4.114 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.530 -0.038 2.209 1.00 0.00 H new ATOM 1250 N SER A 76 1.560 -7.580 5.354 1.00 0.00 N ATOM 1251 CA SER A 76 1.670 -8.720 6.261 1.00 0.00 C ATOM 1252 C SER A 76 2.313 -9.919 5.562 1.00 0.00 C ATOM 1253 O SER A 76 3.036 -10.691 6.190 1.00 0.00 O ATOM 1254 CB SER A 76 0.295 -9.115 6.813 1.00 0.00 C ATOM 1255 OG SER A 76 0.403 -9.633 8.129 1.00 0.00 O ATOM 0 H SER A 76 0.603 -7.276 5.173 1.00 0.00 H new ATOM 0 HA SER A 76 2.308 -8.418 7.091 1.00 0.00 H new ATOM 0 HB2 SER A 76 -0.363 -8.246 6.814 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.161 -9.860 6.162 1.00 0.00 H new ATOM 0 HG SER A 76 -0.487 -9.876 8.459 1.00 0.00 H new ATOM 1261 N ASN A 77 2.047 -10.069 4.260 1.00 0.00 N ATOM 1262 CA ASN A 77 2.607 -11.177 3.486 1.00 0.00 C ATOM 1263 C ASN A 77 4.132 -11.122 3.476 1.00 0.00 C ATOM 1264 O ASN A 77 4.794 -12.133 3.708 1.00 0.00 O ATOM 1265 CB ASN A 77 2.086 -11.153 2.046 1.00 0.00 C ATOM 1266 CG ASN A 77 0.610 -11.499 1.948 1.00 0.00 C ATOM 1267 OD1 ASN A 77 0.056 -12.165 2.824 1.00 0.00 O ATOM 1268 ND2 ASN A 77 -0.035 -11.052 0.876 1.00 0.00 N ATOM 0 H ASN A 77 1.450 -9.439 3.724 1.00 0.00 H new ATOM 0 HA ASN A 77 2.290 -12.104 3.965 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.251 -10.163 1.621 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.660 -11.858 1.445 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -1.027 -11.257 0.755 1.00 0.00 H new ATOM 0 HD22 ASN A 77 0.462 -10.504 0.174 1.00 0.00 H new ATOM 1275 N CYS A 78 4.685 -9.938 3.205 1.00 0.00 N ATOM 1276 CA CYS A 78 6.137 -9.762 3.164 1.00 0.00 C ATOM 1277 C CYS A 78 6.770 -10.052 4.526 1.00 0.00 C ATOM 1278 O CYS A 78 7.836 -10.665 4.603 1.00 0.00 O ATOM 1279 CB CYS A 78 6.495 -8.342 2.715 1.00 0.00 C ATOM 1280 SG CYS A 78 7.975 -8.251 1.679 1.00 0.00 S ATOM 0 H CYS A 78 4.151 -9.090 3.011 1.00 0.00 H new ATOM 0 HA CYS A 78 6.535 -10.475 2.442 1.00 0.00 H new ATOM 0 HB2 CYS A 78 5.653 -7.922 2.165 1.00 0.00 H new ATOM 0 HB3 CYS A 78 6.642 -7.719 3.597 1.00 0.00 H new ATOM 0 HG CYS A 78 8.197 -7.014 1.347 1.00 0.00 H new ATOM 1286 N TYR A 79 6.111 -9.607 5.598 1.00 0.00 N ATOM 1287 CA TYR A 79 6.613 -9.816 6.956 1.00 0.00 C ATOM 1288 C TYR A 79 6.436 -11.271 7.401 1.00 0.00 C ATOM 1289 O TYR A 79 7.334 -11.854 8.008 1.00 0.00 O ATOM 1290 CB TYR A 79 5.898 -8.878 7.934 1.00 0.00 C ATOM 1291 CG TYR A 79 6.743 -8.468 9.120 1.00 0.00 C ATOM 1292 CD1 TYR A 79 7.674 -7.440 9.015 1.00 0.00 C ATOM 1293 CD2 TYR A 79 6.605 -9.104 10.348 1.00 0.00 C ATOM 1294 CE1 TYR A 79 8.441 -7.059 10.099 1.00 0.00 C ATOM 1295 CE2 TYR A 79 7.369 -8.728 11.435 1.00 0.00 C ATOM 1296 CZ TYR A 79 8.284 -7.706 11.306 1.00 0.00 C ATOM 1297 OH TYR A 79 9.044 -7.326 12.389 1.00 0.00 O ATOM 0 H TYR A 79 5.228 -9.099 5.551 1.00 0.00 H new ATOM 0 HA TYR A 79 7.680 -9.591 6.955 1.00 0.00 H new ATOM 0 HB2 TYR A 79 5.583 -7.983 7.398 1.00 0.00 H new ATOM 0 HB3 TYR A 79 4.994 -9.368 8.296 1.00 0.00 H new ATOM 0 HD1 TYR A 79 7.799 -6.931 8.071 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.889 -9.905 10.454 1.00 0.00 H new ATOM 0 HE1 TYR A 79 9.160 -6.259 10.001 1.00 0.00 H new ATOM 0 HE2 TYR A 79 7.250 -9.233 12.382 1.00 0.00 H new ATOM 0 HH TYR A 79 8.811 -7.880 13.163 1.00 0.00 H new ATOM 1307 N LYS A 80 5.271 -11.847 7.100 1.00 0.00 N ATOM 1308 CA LYS A 80 4.971 -13.231 7.474 1.00 0.00 C ATOM 1309 C LYS A 80 5.766 -14.231 6.628 1.00 0.00 C ATOM 1310 O LYS A 80 6.168 -15.284 7.122 1.00 0.00 O ATOM 1311 CB LYS A 80 3.468 -13.504 7.336 1.00 0.00 C ATOM 1312 CG LYS A 80 2.946 -14.568 8.292 1.00 0.00 C ATOM 1313 CD LYS A 80 2.052 -13.966 9.368 1.00 0.00 C ATOM 1314 CE LYS A 80 2.812 -13.751 10.669 1.00 0.00 C ATOM 1315 NZ LYS A 80 3.839 -12.675 10.549 1.00 0.00 N ATOM 0 H LYS A 80 4.519 -11.376 6.598 1.00 0.00 H new ATOM 0 HA LYS A 80 5.268 -13.363 8.514 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.923 -12.576 7.507 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.257 -13.814 6.312 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.388 -15.318 7.732 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.786 -15.080 8.761 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.650 -13.015 9.019 1.00 0.00 H new ATOM 0 HD3 LYS A 80 1.202 -14.625 9.547 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.109 -13.493 11.461 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.296 -14.682 10.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.789 -13.095 10.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 3.723 -12.184 9.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.722 -11.995 11.327 1.00 0.00 H new ATOM 1329 N TYR A 81 5.982 -13.898 5.355 1.00 0.00 N ATOM 1330 CA TYR A 81 6.723 -14.768 4.440 1.00 0.00 C ATOM 1331 C TYR A 81 8.210 -14.822 4.807 1.00 0.00 C ATOM 1332 O TYR A 81 8.721 -15.880 5.175 1.00 0.00 O ATOM 1333 CB TYR A 81 6.542 -14.280 2.996 1.00 0.00 C ATOM 1334 CG TYR A 81 7.136 -15.190 1.939 1.00 0.00 C ATOM 1335 CD1 TYR A 81 6.715 -16.509 1.802 1.00 0.00 C ATOM 1336 CD2 TYR A 81 8.112 -14.722 1.068 1.00 0.00 C ATOM 1337 CE1 TYR A 81 7.252 -17.331 0.828 1.00 0.00 C ATOM 1338 CE2 TYR A 81 8.653 -15.538 0.094 1.00 0.00 C ATOM 1339 CZ TYR A 81 8.221 -16.840 -0.022 1.00 0.00 C ATOM 1340 OH TYR A 81 8.757 -17.653 -0.994 1.00 0.00 O ATOM 0 H TYR A 81 5.653 -13.030 4.933 1.00 0.00 H new ATOM 0 HA TYR A 81 6.324 -15.779 4.528 1.00 0.00 H new ATOM 0 HB2 TYR A 81 5.477 -14.163 2.798 1.00 0.00 H new ATOM 0 HB3 TYR A 81 6.994 -13.293 2.901 1.00 0.00 H new ATOM 0 HD1 TYR A 81 5.957 -16.897 2.467 1.00 0.00 H new ATOM 0 HD2 TYR A 81 8.454 -13.701 1.154 1.00 0.00 H new ATOM 0 HE1 TYR A 81 6.914 -18.352 0.733 1.00 0.00 H new ATOM 0 HE2 TYR A 81 9.411 -15.157 -0.574 1.00 0.00 H new ATOM 0 HH TYR A 81 9.687 -17.865 -0.767 1.00 0.00 H new ATOM 1350 N ASN A 82 8.898 -13.681 4.707 1.00 0.00 N ATOM 1351 CA ASN A 82 10.324 -13.615 5.033 1.00 0.00 C ATOM 1352 C ASN A 82 10.563 -12.778 6.291 1.00 0.00 C ATOM 1353 O ASN A 82 10.283 -11.579 6.307 1.00 0.00 O ATOM 1354 CB ASN A 82 11.120 -13.029 3.861 1.00 0.00 C ATOM 1355 CG ASN A 82 11.052 -13.895 2.616 1.00 0.00 C ATOM 1356 OD1 ASN A 82 10.924 -15.117 2.701 1.00 0.00 O ATOM 1357 ND2 ASN A 82 11.139 -13.266 1.448 1.00 0.00 N ATOM 0 H ASN A 82 8.493 -12.795 4.405 1.00 0.00 H new ATOM 0 HA ASN A 82 10.667 -14.632 5.222 1.00 0.00 H new ATOM 0 HB2 ASN A 82 10.738 -12.035 3.629 1.00 0.00 H new ATOM 0 HB3 ASN A 82 12.162 -12.909 4.159 1.00 0.00 H new ATOM 0 HD21 ASN A 82 11.100 -13.798 0.578 1.00 0.00 H new ATOM 0 HD22 ASN A 82 11.244 -12.252 1.422 1.00 0.00 H new ATOM 1364 N PRO A 83 11.089 -13.407 7.366 1.00 0.00 N ATOM 1365 CA PRO A 83 11.369 -12.720 8.639 1.00 0.00 C ATOM 1366 C PRO A 83 12.310 -11.526 8.463 1.00 0.00 C ATOM 1367 O PRO A 83 12.990 -11.406 7.440 1.00 0.00 O ATOM 1368 CB PRO A 83 12.032 -13.804 9.498 1.00 0.00 C ATOM 1369 CG PRO A 83 11.591 -15.095 8.896 1.00 0.00 C ATOM 1370 CD PRO A 83 11.449 -14.836 7.424 1.00 0.00 C ATOM 0 HA PRO A 83 10.463 -12.305 9.082 1.00 0.00 H new ATOM 0 HB2 PRO A 83 13.118 -13.711 9.482 1.00 0.00 H new ATOM 0 HB3 PRO A 83 11.721 -13.727 10.540 1.00 0.00 H new ATOM 0 HG2 PRO A 83 12.320 -15.883 9.085 1.00 0.00 H new ATOM 0 HG3 PRO A 83 10.646 -15.424 9.328 1.00 0.00 H new ATOM 0 HD2 PRO A 83 12.376 -15.040 6.888 1.00 0.00 H new ATOM 0 HD3 PRO A 83 10.678 -15.464 6.977 1.00 0.00 H new ATOM 1378 N PRO A 84 12.357 -10.614 9.459 1.00 0.00 N ATOM 1379 CA PRO A 84 13.210 -9.426 9.396 1.00 0.00 C ATOM 1380 C PRO A 84 14.694 -9.763 9.374 1.00 0.00 C ATOM 1381 O PRO A 84 15.253 -10.246 10.358 1.00 0.00 O ATOM 1382 CB PRO A 84 12.857 -8.638 10.656 1.00 0.00 C ATOM 1383 CG PRO A 84 12.225 -9.624 11.578 1.00 0.00 C ATOM 1384 CD PRO A 84 11.577 -10.668 10.709 1.00 0.00 C ATOM 0 HA PRO A 84 13.036 -8.868 8.476 1.00 0.00 H new ATOM 0 HB2 PRO A 84 13.747 -8.196 11.104 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.174 -7.820 10.429 1.00 0.00 H new ATOM 0 HG2 PRO A 84 12.970 -10.074 12.235 1.00 0.00 H new ATOM 0 HG3 PRO A 84 11.487 -9.139 12.218 1.00 0.00 H new ATOM 0 HD2 PRO A 84 11.623 -11.656 11.168 1.00 0.00 H new ATOM 0 HD3 PRO A 84 10.524 -10.447 10.534 1.00 0.00 H new ATOM 1392 N ASP A 85 15.315 -9.497 8.236 1.00 0.00 N ATOM 1393 CA ASP A 85 16.740 -9.755 8.044 1.00 0.00 C ATOM 1394 C ASP A 85 17.205 -9.203 6.696 1.00 0.00 C ATOM 1395 O ASP A 85 17.964 -9.854 5.973 1.00 0.00 O ATOM 1396 CB ASP A 85 17.023 -11.263 8.132 1.00 0.00 C ATOM 1397 CG ASP A 85 18.496 -11.573 8.311 1.00 0.00 C ATOM 1398 OD1 ASP A 85 19.091 -11.081 9.292 1.00 0.00 O ATOM 1399 OD2 ASP A 85 19.052 -12.312 7.473 1.00 0.00 O ATOM 0 H ASP A 85 14.851 -9.098 7.420 1.00 0.00 H new ATOM 0 HA ASP A 85 17.295 -9.249 8.834 1.00 0.00 H new ATOM 0 HB2 ASP A 85 16.463 -11.685 8.966 1.00 0.00 H new ATOM 0 HB3 ASP A 85 16.661 -11.750 7.226 1.00 0.00 H new ATOM 1404 N HIS A 86 16.736 -7.997 6.359 1.00 0.00 N ATOM 1405 CA HIS A 86 17.092 -7.358 5.093 1.00 0.00 C ATOM 1406 C HIS A 86 16.483 -5.959 4.989 1.00 0.00 C ATOM 1407 O HIS A 86 15.755 -5.515 5.882 1.00 0.00 O ATOM 1408 CB HIS A 86 16.613 -8.221 3.918 1.00 0.00 C ATOM 1409 CG HIS A 86 17.572 -8.267 2.769 1.00 0.00 C ATOM 1410 ND1 HIS A 86 17.238 -7.863 1.493 1.00 0.00 N ATOM 1411 CD2 HIS A 86 18.862 -8.675 2.706 1.00 0.00 C ATOM 1412 CE1 HIS A 86 18.279 -8.023 0.695 1.00 0.00 C ATOM 1413 NE2 HIS A 86 19.277 -8.512 1.407 1.00 0.00 N ATOM 0 H HIS A 86 16.110 -7.446 6.946 1.00 0.00 H new ATOM 0 HA HIS A 86 18.177 -7.262 5.056 1.00 0.00 H new ATOM 0 HB2 HIS A 86 16.438 -9.236 4.273 1.00 0.00 H new ATOM 0 HB3 HIS A 86 15.656 -7.837 3.565 1.00 0.00 H new ATOM 0 HD2 HIS A 86 19.454 -9.057 3.525 1.00 0.00 H new ATOM 0 HE1 HIS A 86 18.308 -7.793 -0.360 1.00 0.00 H new ATOM 0 HE2 HIS A 86 20.207 -8.733 1.050 1.00 0.00 H new ATOM 1422 N ASP A 87 16.782 -5.272 3.887 1.00 0.00 N ATOM 1423 CA ASP A 87 16.264 -3.927 3.654 1.00 0.00 C ATOM 1424 C ASP A 87 14.780 -3.960 3.292 1.00 0.00 C ATOM 1425 O ASP A 87 14.017 -3.088 3.706 1.00 0.00 O ATOM 1426 CB ASP A 87 17.050 -3.234 2.538 1.00 0.00 C ATOM 1427 CG ASP A 87 16.957 -1.723 2.622 1.00 0.00 C ATOM 1428 OD1 ASP A 87 17.576 -1.141 3.537 1.00 0.00 O ATOM 1429 OD2 ASP A 87 16.262 -1.122 1.776 1.00 0.00 O ATOM 0 H ASP A 87 17.381 -5.626 3.141 1.00 0.00 H new ATOM 0 HA ASP A 87 16.382 -3.364 4.580 1.00 0.00 H new ATOM 0 HB2 ASP A 87 18.096 -3.535 2.592 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.673 -3.566 1.571 1.00 0.00 H new ATOM 1434 N VAL A 88 14.383 -4.966 2.509 1.00 0.00 N ATOM 1435 CA VAL A 88 12.990 -5.108 2.081 1.00 0.00 C ATOM 1436 C VAL A 88 12.032 -5.147 3.277 1.00 0.00 C ATOM 1437 O VAL A 88 11.001 -4.473 3.272 1.00 0.00 O ATOM 1438 CB VAL A 88 12.787 -6.368 1.198 1.00 0.00 C ATOM 1439 CG1 VAL A 88 13.076 -7.646 1.977 1.00 0.00 C ATOM 1440 CG2 VAL A 88 11.379 -6.395 0.613 1.00 0.00 C ATOM 0 H VAL A 88 15.006 -5.694 2.159 1.00 0.00 H new ATOM 0 HA VAL A 88 12.757 -4.228 1.482 1.00 0.00 H new ATOM 0 HB VAL A 88 13.500 -6.316 0.375 1.00 0.00 H new ATOM 0 HG11 VAL A 88 12.924 -8.509 1.329 1.00 0.00 H new ATOM 0 HG12 VAL A 88 14.108 -7.633 2.328 1.00 0.00 H new ATOM 0 HG13 VAL A 88 12.403 -7.711 2.832 1.00 0.00 H new ATOM 0 HG21 VAL A 88 11.258 -7.286 -0.003 1.00 0.00 H new ATOM 0 HG22 VAL A 88 10.649 -6.411 1.422 1.00 0.00 H new ATOM 0 HG23 VAL A 88 11.222 -5.507 0.001 1.00 0.00 H new ATOM 1450 N VAL A 89 12.379 -5.927 4.303 1.00 0.00 N ATOM 1451 CA VAL A 89 11.547 -6.030 5.502 1.00 0.00 C ATOM 1452 C VAL A 89 11.525 -4.707 6.267 1.00 0.00 C ATOM 1453 O VAL A 89 10.459 -4.220 6.650 1.00 0.00 O ATOM 1454 CB VAL A 89 12.024 -7.155 6.446 1.00 0.00 C ATOM 1455 CG1 VAL A 89 11.018 -7.373 7.569 1.00 0.00 C ATOM 1456 CG2 VAL A 89 12.259 -8.447 5.674 1.00 0.00 C ATOM 0 H VAL A 89 13.227 -6.494 4.327 1.00 0.00 H new ATOM 0 HA VAL A 89 10.540 -6.272 5.161 1.00 0.00 H new ATOM 0 HB VAL A 89 12.972 -6.849 6.889 1.00 0.00 H new ATOM 0 HG11 VAL A 89 11.371 -8.169 8.224 1.00 0.00 H new ATOM 0 HG12 VAL A 89 10.908 -6.453 8.143 1.00 0.00 H new ATOM 0 HG13 VAL A 89 10.054 -7.653 7.145 1.00 0.00 H new ATOM 0 HG21 VAL A 89 12.594 -9.225 6.360 1.00 0.00 H new ATOM 0 HG22 VAL A 89 11.330 -8.760 5.197 1.00 0.00 H new ATOM 0 HG23 VAL A 89 13.021 -8.282 4.912 1.00 0.00 H new ATOM 1466 N ALA A 90 12.710 -4.130 6.484 1.00 0.00 N ATOM 1467 CA ALA A 90 12.830 -2.860 7.200 1.00 0.00 C ATOM 1468 C ALA A 90 12.090 -1.743 6.468 1.00 0.00 C ATOM 1469 O ALA A 90 11.478 -0.879 7.099 1.00 0.00 O ATOM 1470 CB ALA A 90 14.295 -2.490 7.390 1.00 0.00 C ATOM 0 H ALA A 90 13.599 -4.523 6.174 1.00 0.00 H new ATOM 0 HA ALA A 90 12.371 -2.984 8.181 1.00 0.00 H new ATOM 0 HB1 ALA A 90 14.365 -1.543 7.924 1.00 0.00 H new ATOM 0 HB2 ALA A 90 14.795 -3.269 7.966 1.00 0.00 H new ATOM 0 HB3 ALA A 90 14.775 -2.393 6.416 1.00 0.00 H new ATOM 1476 N MET A 91 12.145 -1.769 5.135 1.00 0.00 N ATOM 1477 CA MET A 91 11.473 -0.761 4.317 1.00 0.00 C ATOM 1478 C MET A 91 9.965 -0.777 4.566 1.00 0.00 C ATOM 1479 O MET A 91 9.319 0.273 4.576 1.00 0.00 O ATOM 1480 CB MET A 91 11.759 -0.992 2.829 1.00 0.00 C ATOM 1481 CG MET A 91 13.072 -0.388 2.356 1.00 0.00 C ATOM 1482 SD MET A 91 13.055 0.017 0.599 1.00 0.00 S ATOM 1483 CE MET A 91 13.960 1.563 0.597 1.00 0.00 C ATOM 0 H MET A 91 12.648 -2.477 4.600 1.00 0.00 H new ATOM 0 HA MET A 91 11.864 0.216 4.602 1.00 0.00 H new ATOM 0 HB2 MET A 91 11.771 -2.064 2.633 1.00 0.00 H new ATOM 0 HB3 MET A 91 10.943 -0.570 2.242 1.00 0.00 H new ATOM 0 HG2 MET A 91 13.281 0.514 2.931 1.00 0.00 H new ATOM 0 HG3 MET A 91 13.883 -1.088 2.556 1.00 0.00 H new ATOM 0 HE1 MET A 91 14.598 1.610 -0.285 1.00 0.00 H new ATOM 0 HE2 MET A 91 13.257 2.396 0.581 1.00 0.00 H new ATOM 0 HE3 MET A 91 14.576 1.625 1.494 1.00 0.00 H new ATOM 1493 N ALA A 92 9.410 -1.975 4.775 1.00 0.00 N ATOM 1494 CA ALA A 92 7.981 -2.127 5.035 1.00 0.00 C ATOM 1495 C ALA A 92 7.595 -1.479 6.361 1.00 0.00 C ATOM 1496 O ALA A 92 6.581 -0.786 6.444 1.00 0.00 O ATOM 1497 CB ALA A 92 7.589 -3.599 5.029 1.00 0.00 C ATOM 0 H ALA A 92 9.931 -2.852 4.769 1.00 0.00 H new ATOM 0 HA ALA A 92 7.438 -1.620 4.238 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.521 -3.692 5.225 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.819 -4.033 4.056 1.00 0.00 H new ATOM 0 HB3 ALA A 92 8.147 -4.127 5.802 1.00 0.00 H new ATOM 1503 N ARG A 93 8.410 -1.701 7.397 1.00 0.00 N ATOM 1504 CA ARG A 93 8.140 -1.124 8.715 1.00 0.00 C ATOM 1505 C ARG A 93 8.136 0.403 8.649 1.00 0.00 C ATOM 1506 O ARG A 93 7.291 1.052 9.266 1.00 0.00 O ATOM 1507 CB ARG A 93 9.178 -1.598 9.743 1.00 0.00 C ATOM 1508 CG ARG A 93 8.633 -1.701 11.161 1.00 0.00 C ATOM 1509 CD ARG A 93 9.463 -0.888 12.147 1.00 0.00 C ATOM 1510 NE ARG A 93 10.375 -1.726 12.928 1.00 0.00 N ATOM 1511 CZ ARG A 93 10.004 -2.459 13.983 1.00 0.00 C ATOM 1512 NH1 ARG A 93 8.735 -2.472 14.386 1.00 0.00 N ATOM 1513 NH2 ARG A 93 10.906 -3.182 14.637 1.00 0.00 N ATOM 0 H ARG A 93 9.254 -2.271 7.349 1.00 0.00 H new ATOM 0 HA ARG A 93 7.154 -1.465 9.030 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.559 -2.573 9.438 1.00 0.00 H new ATOM 0 HB3 ARG A 93 10.023 -0.909 9.737 1.00 0.00 H new ATOM 0 HG2 ARG A 93 7.601 -1.351 11.180 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.621 -2.746 11.471 1.00 0.00 H new ATOM 0 HD2 ARG A 93 10.038 -0.138 11.603 1.00 0.00 H new ATOM 0 HD3 ARG A 93 8.797 -0.351 12.823 1.00 0.00 H new ATOM 0 HE ARG A 93 11.356 -1.752 12.650 1.00 0.00 H new ATOM 0 HH11 ARG A 93 8.036 -1.920 13.889 1.00 0.00 H new ATOM 0 HH12 ARG A 93 8.462 -3.034 15.192 1.00 0.00 H new ATOM 0 HH21 ARG A 93 11.880 -3.178 14.334 1.00 0.00 H new ATOM 0 HH22 ARG A 93 10.625 -3.742 15.442 1.00 0.00 H new ATOM 1527 N LYS A 94 9.072 0.972 7.883 1.00 0.00 N ATOM 1528 CA LYS A 94 9.160 2.422 7.732 1.00 0.00 C ATOM 1529 C LYS A 94 7.873 2.987 7.126 1.00 0.00 C ATOM 1530 O LYS A 94 7.372 4.021 7.571 1.00 0.00 O ATOM 1531 CB LYS A 94 10.358 2.795 6.851 1.00 0.00 C ATOM 1532 CG LYS A 94 11.669 2.929 7.614 1.00 0.00 C ATOM 1533 CD LYS A 94 12.651 3.835 6.883 1.00 0.00 C ATOM 1534 CE LYS A 94 13.725 4.373 7.820 1.00 0.00 C ATOM 1535 NZ LYS A 94 14.979 3.567 7.766 1.00 0.00 N ATOM 0 H LYS A 94 9.776 0.450 7.361 1.00 0.00 H new ATOM 0 HA LYS A 94 9.297 2.856 8.722 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.476 2.038 6.076 1.00 0.00 H new ATOM 0 HB3 LYS A 94 10.145 3.737 6.346 1.00 0.00 H new ATOM 0 HG2 LYS A 94 11.473 3.331 8.608 1.00 0.00 H new ATOM 0 HG3 LYS A 94 12.114 1.943 7.750 1.00 0.00 H new ATOM 0 HD2 LYS A 94 13.121 3.282 6.070 1.00 0.00 H new ATOM 0 HD3 LYS A 94 12.111 4.668 6.432 1.00 0.00 H new ATOM 0 HE2 LYS A 94 13.949 5.407 7.557 1.00 0.00 H new ATOM 0 HE3 LYS A 94 13.343 4.379 8.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 15.680 3.971 8.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 14.773 2.586 8.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 15.360 3.582 6.798 1.00 0.00 H new ATOM 1549 N LEU A 95 7.337 2.299 6.115 1.00 0.00 N ATOM 1550 CA LEU A 95 6.105 2.737 5.459 1.00 0.00 C ATOM 1551 C LEU A 95 4.874 2.385 6.298 1.00 0.00 C ATOM 1552 O LEU A 95 3.882 3.112 6.276 1.00 0.00 O ATOM 1553 CB LEU A 95 5.983 2.116 4.062 1.00 0.00 C ATOM 1554 CG LEU A 95 5.312 3.008 3.008 1.00 0.00 C ATOM 1555 CD1 LEU A 95 6.162 4.237 2.722 1.00 0.00 C ATOM 1556 CD2 LEU A 95 5.061 2.224 1.727 1.00 0.00 C ATOM 0 H LEU A 95 7.735 1.440 5.735 1.00 0.00 H new ATOM 0 HA LEU A 95 6.153 3.821 5.360 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.981 1.853 3.710 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.418 1.187 4.142 1.00 0.00 H new ATOM 0 HG LEU A 95 4.352 3.341 3.404 1.00 0.00 H new ATOM 0 HD11 LEU A 95 5.668 4.855 1.972 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.290 4.812 3.639 1.00 0.00 H new ATOM 0 HD13 LEU A 95 7.138 3.926 2.349 1.00 0.00 H new ATOM 0 HD21 LEU A 95 4.585 2.872 0.991 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.009 1.861 1.331 1.00 0.00 H new ATOM 0 HD23 LEU A 95 4.409 1.377 1.941 1.00 0.00 H new ATOM 1568 N GLN A 96 4.941 1.271 7.033 1.00 0.00 N ATOM 1569 CA GLN A 96 3.821 0.837 7.871 1.00 0.00 C ATOM 1570 C GLN A 96 3.446 1.906 8.896 1.00 0.00 C ATOM 1571 O GLN A 96 2.268 2.226 9.062 1.00 0.00 O ATOM 1572 CB GLN A 96 4.161 -0.471 8.596 1.00 0.00 C ATOM 1573 CG GLN A 96 3.707 -1.716 7.852 1.00 0.00 C ATOM 1574 CD GLN A 96 3.738 -2.960 8.721 1.00 0.00 C ATOM 1575 OE1 GLN A 96 2.700 -3.555 9.010 1.00 0.00 O ATOM 1576 NE2 GLN A 96 4.932 -3.363 9.141 1.00 0.00 N ATOM 0 H GLN A 96 5.755 0.657 7.064 1.00 0.00 H new ATOM 0 HA GLN A 96 2.968 0.672 7.213 1.00 0.00 H new ATOM 0 HB2 GLN A 96 5.239 -0.522 8.749 1.00 0.00 H new ATOM 0 HB3 GLN A 96 3.700 -0.460 9.583 1.00 0.00 H new ATOM 0 HG2 GLN A 96 2.694 -1.563 7.479 1.00 0.00 H new ATOM 0 HG3 GLN A 96 4.347 -1.869 6.983 1.00 0.00 H new ATOM 0 HE21 GLN A 96 5.768 -2.841 8.878 1.00 0.00 H new ATOM 0 HE22 GLN A 96 5.013 -4.195 9.726 1.00 0.00 H new ATOM 1585 N ASP A 97 4.451 2.452 9.582 1.00 0.00 N ATOM 1586 CA ASP A 97 4.216 3.482 10.591 1.00 0.00 C ATOM 1587 C ASP A 97 3.647 4.751 9.960 1.00 0.00 C ATOM 1588 O ASP A 97 2.736 5.371 10.511 1.00 0.00 O ATOM 1589 CB ASP A 97 5.511 3.800 11.346 1.00 0.00 C ATOM 1590 CG ASP A 97 5.917 2.688 12.297 1.00 0.00 C ATOM 1591 OD1 ASP A 97 5.127 2.370 13.212 1.00 0.00 O ATOM 1592 OD2 ASP A 97 7.024 2.135 12.126 1.00 0.00 O ATOM 0 H ASP A 97 5.431 2.199 9.457 1.00 0.00 H new ATOM 0 HA ASP A 97 3.482 3.096 11.299 1.00 0.00 H new ATOM 0 HB2 ASP A 97 6.313 3.971 10.629 1.00 0.00 H new ATOM 0 HB3 ASP A 97 5.383 4.725 11.908 1.00 0.00 H new ATOM 1597 N VAL A 98 4.182 5.130 8.801 1.00 0.00 N ATOM 1598 CA VAL A 98 3.717 6.323 8.100 1.00 0.00 C ATOM 1599 C VAL A 98 2.312 6.111 7.531 1.00 0.00 C ATOM 1600 O VAL A 98 1.459 6.996 7.619 1.00 0.00 O ATOM 1601 CB VAL A 98 4.673 6.726 6.957 1.00 0.00 C ATOM 1602 CG1 VAL A 98 4.240 8.049 6.339 1.00 0.00 C ATOM 1603 CG2 VAL A 98 6.112 6.808 7.455 1.00 0.00 C ATOM 0 H VAL A 98 4.935 4.629 8.329 1.00 0.00 H new ATOM 0 HA VAL A 98 3.694 7.129 8.833 1.00 0.00 H new ATOM 0 HB VAL A 98 4.626 5.956 6.187 1.00 0.00 H new ATOM 0 HG11 VAL A 98 4.926 8.317 5.535 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.231 7.950 5.938 1.00 0.00 H new ATOM 0 HG13 VAL A 98 4.253 8.828 7.101 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.766 7.094 6.631 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.181 7.553 8.248 1.00 0.00 H new ATOM 0 HG23 VAL A 98 6.419 5.836 7.842 1.00 0.00 H new ATOM 1613 N PHE A 99 2.080 4.931 6.950 1.00 0.00 N ATOM 1614 CA PHE A 99 0.781 4.596 6.366 1.00 0.00 C ATOM 1615 C PHE A 99 -0.324 4.683 7.415 1.00 0.00 C ATOM 1616 O PHE A 99 -1.367 5.288 7.173 1.00 0.00 O ATOM 1617 CB PHE A 99 0.822 3.191 5.756 1.00 0.00 C ATOM 1618 CG PHE A 99 -0.321 2.890 4.826 1.00 0.00 C ATOM 1619 CD1 PHE A 99 -0.561 3.685 3.715 1.00 0.00 C ATOM 1620 CD2 PHE A 99 -1.153 1.807 5.061 1.00 0.00 C ATOM 1621 CE1 PHE A 99 -1.608 3.404 2.858 1.00 0.00 C ATOM 1622 CE2 PHE A 99 -2.200 1.521 4.207 1.00 0.00 C ATOM 1623 CZ PHE A 99 -2.428 2.320 3.104 1.00 0.00 C ATOM 0 H PHE A 99 2.777 4.191 6.872 1.00 0.00 H new ATOM 0 HA PHE A 99 0.563 5.318 5.579 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.759 3.070 5.213 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.823 2.457 6.562 1.00 0.00 H new ATOM 0 HD1 PHE A 99 0.078 4.533 3.517 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.981 1.179 5.923 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.785 4.031 1.997 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.840 0.673 4.402 1.00 0.00 H new ATOM 0 HZ PHE A 99 -3.246 2.098 2.435 1.00 0.00 H new ATOM 1633 N GLU A 100 -0.084 4.084 8.583 1.00 0.00 N ATOM 1634 CA GLU A 100 -1.058 4.107 9.673 1.00 0.00 C ATOM 1635 C GLU A 100 -1.381 5.546 10.081 1.00 0.00 C ATOM 1636 O GLU A 100 -2.533 5.874 10.369 1.00 0.00 O ATOM 1637 CB GLU A 100 -0.525 3.327 10.879 1.00 0.00 C ATOM 1638 CG GLU A 100 -1.588 3.005 11.920 1.00 0.00 C ATOM 1639 CD GLU A 100 -1.086 3.167 13.343 1.00 0.00 C ATOM 1640 OE1 GLU A 100 0.005 2.643 13.655 1.00 0.00 O ATOM 1641 OE2 GLU A 100 -1.786 3.819 14.147 1.00 0.00 O ATOM 0 H GLU A 100 0.775 3.578 8.797 1.00 0.00 H new ATOM 0 HA GLU A 100 -1.974 3.633 9.321 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -0.078 2.396 10.529 1.00 0.00 H new ATOM 0 HB3 GLU A 100 0.270 3.905 11.351 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -2.449 3.656 11.767 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.933 1.981 11.776 1.00 0.00 H new ATOM 1648 N PHE A 101 -0.355 6.400 10.096 1.00 0.00 N ATOM 1649 CA PHE A 101 -0.524 7.806 10.461 1.00 0.00 C ATOM 1650 C PHE A 101 -1.379 8.546 9.432 1.00 0.00 C ATOM 1651 O PHE A 101 -2.206 9.384 9.793 1.00 0.00 O ATOM 1652 CB PHE A 101 0.841 8.490 10.591 1.00 0.00 C ATOM 1653 CG PHE A 101 1.145 8.977 11.981 1.00 0.00 C ATOM 1654 CD1 PHE A 101 1.279 8.082 13.032 1.00 0.00 C ATOM 1655 CD2 PHE A 101 1.298 10.331 12.236 1.00 0.00 C ATOM 1656 CE1 PHE A 101 1.558 8.529 14.310 1.00 0.00 C ATOM 1657 CE2 PHE A 101 1.577 10.783 13.512 1.00 0.00 C ATOM 1658 CZ PHE A 101 1.707 9.881 14.550 1.00 0.00 C ATOM 0 H PHE A 101 0.603 6.141 9.859 1.00 0.00 H new ATOM 0 HA PHE A 101 -1.037 7.842 11.422 1.00 0.00 H new ATOM 0 HB2 PHE A 101 1.618 7.791 10.283 1.00 0.00 H new ATOM 0 HB3 PHE A 101 0.881 9.335 9.903 1.00 0.00 H new ATOM 0 HD1 PHE A 101 1.164 7.024 12.850 1.00 0.00 H new ATOM 0 HD2 PHE A 101 1.198 11.041 11.428 1.00 0.00 H new ATOM 0 HE1 PHE A 101 1.659 7.822 15.120 1.00 0.00 H new ATOM 0 HE2 PHE A 101 1.693 11.841 13.697 1.00 0.00 H new ATOM 0 HZ PHE A 101 1.925 10.232 15.548 1.00 0.00 H new ATOM 1668 N ARG A 102 -1.186 8.229 8.150 1.00 0.00 N ATOM 1669 CA ARG A 102 -1.955 8.868 7.083 1.00 0.00 C ATOM 1670 C ARG A 102 -3.356 8.259 6.989 1.00 0.00 C ATOM 1671 O ARG A 102 -4.329 8.966 6.724 1.00 0.00 O ATOM 1672 CB ARG A 102 -1.226 8.742 5.738 1.00 0.00 C ATOM 1673 CG ARG A 102 -0.603 10.044 5.244 1.00 0.00 C ATOM 1674 CD ARG A 102 0.348 10.647 6.271 1.00 0.00 C ATOM 1675 NE ARG A 102 1.594 11.121 5.663 1.00 0.00 N ATOM 1676 CZ ARG A 102 1.691 12.222 4.909 1.00 0.00 C ATOM 1677 NH1 ARG A 102 0.618 12.970 4.660 1.00 0.00 N ATOM 1678 NH2 ARG A 102 2.867 12.577 4.402 1.00 0.00 N ATOM 0 H ARG A 102 -0.508 7.538 7.828 1.00 0.00 H new ATOM 0 HA ARG A 102 -2.054 9.927 7.323 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -0.443 7.989 5.830 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -1.929 8.381 4.988 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -0.063 9.858 4.315 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -1.392 10.760 5.016 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -0.146 11.477 6.777 1.00 0.00 H new ATOM 0 HD3 ARG A 102 0.578 9.901 7.032 1.00 0.00 H new ATOM 0 HE ARG A 102 2.441 10.577 5.825 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -0.289 12.706 5.045 1.00 0.00 H new ATOM 0 HH12 ARG A 102 0.703 13.808 4.084 1.00 0.00 H new ATOM 0 HH21 ARG A 102 3.694 12.010 4.588 1.00 0.00 H new ATOM 0 HH22 ARG A 102 2.942 13.416 3.827 1.00 0.00 H new ATOM 1692 N TYR A 103 -3.453 6.946 7.224 1.00 0.00 N ATOM 1693 CA TYR A 103 -4.739 6.246 7.184 1.00 0.00 C ATOM 1694 C TYR A 103 -5.676 6.726 8.296 1.00 0.00 C ATOM 1695 O TYR A 103 -6.883 6.496 8.234 1.00 0.00 O ATOM 1696 CB TYR A 103 -4.541 4.733 7.295 1.00 0.00 C ATOM 1697 CG TYR A 103 -5.403 3.938 6.336 1.00 0.00 C ATOM 1698 CD1 TYR A 103 -6.770 3.794 6.553 1.00 0.00 C ATOM 1699 CD2 TYR A 103 -4.851 3.338 5.212 1.00 0.00 C ATOM 1700 CE1 TYR A 103 -7.558 3.072 5.676 1.00 0.00 C ATOM 1701 CE2 TYR A 103 -5.634 2.616 4.331 1.00 0.00 C ATOM 1702 CZ TYR A 103 -6.986 2.486 4.567 1.00 0.00 C ATOM 1703 OH TYR A 103 -7.767 1.771 3.690 1.00 0.00 O ATOM 0 H TYR A 103 -2.656 6.348 7.444 1.00 0.00 H new ATOM 0 HA TYR A 103 -5.199 6.476 6.223 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -3.493 4.497 7.110 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -4.763 4.420 8.315 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -7.222 4.253 7.420 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -3.792 3.437 5.023 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -8.617 2.968 5.859 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -5.189 2.156 3.461 1.00 0.00 H new ATOM 0 HH TYR A 103 -8.694 1.766 4.007 1.00 0.00 H new ATOM 1713 N ALA A 104 -5.118 7.388 9.316 1.00 0.00 N ATOM 1714 CA ALA A 104 -5.915 7.899 10.431 1.00 0.00 C ATOM 1715 C ALA A 104 -6.508 9.275 10.112 1.00 0.00 C ATOM 1716 O ALA A 104 -7.474 9.701 10.748 1.00 0.00 O ATOM 1717 CB ALA A 104 -5.074 7.970 11.698 1.00 0.00 C ATOM 0 H ALA A 104 -4.119 7.581 9.390 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.741 7.206 10.592 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -5.682 8.352 12.518 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -4.711 6.974 11.950 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.226 8.635 11.535 1.00 0.00 H new ATOM 1723 N LYS A 105 -5.930 9.967 9.124 1.00 0.00 N ATOM 1724 CA LYS A 105 -6.409 11.291 8.724 1.00 0.00 C ATOM 1725 C LYS A 105 -7.439 11.202 7.592 1.00 0.00 C ATOM 1726 O LYS A 105 -8.295 12.077 7.457 1.00 0.00 O ATOM 1727 CB LYS A 105 -5.240 12.171 8.279 1.00 0.00 C ATOM 1728 CG LYS A 105 -5.514 13.661 8.419 1.00 0.00 C ATOM 1729 CD LYS A 105 -4.857 14.459 7.302 1.00 0.00 C ATOM 1730 CE LYS A 105 -5.892 15.084 6.375 1.00 0.00 C ATOM 1731 NZ LYS A 105 -6.546 16.281 6.981 1.00 0.00 N ATOM 0 H LYS A 105 -5.130 9.631 8.588 1.00 0.00 H new ATOM 0 HA LYS A 105 -6.892 11.736 9.594 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -4.359 11.915 8.867 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.004 11.949 7.238 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.590 13.836 8.408 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.144 14.011 9.383 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -4.233 15.242 7.732 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -4.199 13.807 6.727 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -5.412 15.370 5.439 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -6.652 14.342 6.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -7.242 16.672 6.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -7.027 16.006 7.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -5.826 17.001 7.191 1.00 0.00 H new ATOM 1745 N MET A 106 -7.345 10.150 6.773 1.00 0.00 N ATOM 1746 CA MET A 106 -8.267 9.962 5.648 1.00 0.00 C ATOM 1747 C MET A 106 -9.721 9.713 6.095 1.00 0.00 C ATOM 1748 O MET A 106 -10.649 10.088 5.378 1.00 0.00 O ATOM 1749 CB MET A 106 -7.786 8.828 4.726 1.00 0.00 C ATOM 1750 CG MET A 106 -7.885 7.430 5.325 1.00 0.00 C ATOM 1751 SD MET A 106 -7.684 6.132 4.087 1.00 0.00 S ATOM 1752 CE MET A 106 -9.392 5.725 3.730 1.00 0.00 C ATOM 0 H MET A 106 -6.642 9.417 6.867 1.00 0.00 H new ATOM 0 HA MET A 106 -8.265 10.899 5.091 1.00 0.00 H new ATOM 0 HB2 MET A 106 -8.369 8.855 3.806 1.00 0.00 H new ATOM 0 HB3 MET A 106 -6.748 9.018 4.452 1.00 0.00 H new ATOM 0 HG2 MET A 106 -7.123 7.314 6.096 1.00 0.00 H new ATOM 0 HG3 MET A 106 -8.853 7.315 5.813 1.00 0.00 H new ATOM 0 HE1 MET A 106 -9.437 5.083 2.850 1.00 0.00 H new ATOM 0 HE2 MET A 106 -9.827 5.203 4.582 1.00 0.00 H new ATOM 0 HE3 MET A 106 -9.952 6.641 3.540 1.00 0.00 H new ATOM 1762 N PRO A 107 -9.958 9.078 7.270 1.00 0.00 N ATOM 1763 CA PRO A 107 -11.322 8.804 7.755 1.00 0.00 C ATOM 1764 C PRO A 107 -12.116 10.084 8.039 1.00 0.00 C ATOM 1765 O PRO A 107 -11.599 11.195 7.894 1.00 0.00 O ATOM 1766 CB PRO A 107 -11.102 8.014 9.052 1.00 0.00 C ATOM 1767 CG PRO A 107 -9.693 7.535 8.988 1.00 0.00 C ATOM 1768 CD PRO A 107 -8.945 8.573 8.208 1.00 0.00 C ATOM 0 HA PRO A 107 -11.908 8.266 7.010 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -11.264 8.643 9.927 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -11.798 7.179 9.126 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -9.274 7.419 9.987 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -9.633 6.561 8.502 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -8.563 9.364 8.853 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -8.089 8.146 7.686 1.00 0.00 H new ATOM 1776 N ASP A 108 -13.376 9.916 8.443 1.00 0.00 N ATOM 1777 CA ASP A 108 -14.249 11.050 8.747 1.00 0.00 C ATOM 1778 C ASP A 108 -15.185 10.733 9.919 1.00 0.00 C ATOM 1779 O ASP A 108 -15.020 9.716 10.597 1.00 0.00 O ATOM 1780 CB ASP A 108 -15.071 11.428 7.509 1.00 0.00 C ATOM 1781 CG ASP A 108 -15.020 12.913 7.193 1.00 0.00 C ATOM 1782 OD1 ASP A 108 -14.970 13.728 8.141 1.00 0.00 O ATOM 1783 OD2 ASP A 108 -15.037 13.262 5.994 1.00 0.00 O ATOM 0 H ASP A 108 -13.815 9.004 8.567 1.00 0.00 H new ATOM 0 HA ASP A 108 -13.619 11.892 9.034 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -14.703 10.867 6.650 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -16.108 11.131 7.664 1.00 0.00 H new