USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 817 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 29 ASN : amide:sc= 0.884 K(o=1.7,f=0.0084) USER MOD Set 1.2: A 30 THR OG1 : rot -160:sc= 0.827 USER MOD Set 2.1: A 14 THR OG1 : rot 62:sc= 1.33 USER MOD Set 2.2: A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -170:sc= -0.0122 (180deg=-0.119) USER MOD Single : A 12 LYS NZ :NH3+ 160:sc= 1.21 (180deg=0.681) USER MOD Single : A 13 ASN : amide:sc= -4.85 X(o=-4.8,f=-4.6!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN :FLIP amide:sc= -1.05 F(o=-2,f=-1) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.353 USER MOD Single : A 24 HIS : no HE2:sc= -2.96! C(o=-3!,f=-7.1!) USER MOD Single : A 27 SER OG : rot 20:sc= 1.04 USER MOD Single : A 31 ASN : amide:sc=-0.00915 X(o=-0.0092,f=0) USER MOD Single : A 35 GLN : amide:sc= -3.7! C(o=-3.7!,f=-12!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.06 K(o=-0.06,f=-1.1) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -170:sc= 1.04 (180deg=0.873) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.759 K(o=-0.76,f=-4) USER MOD Single : A 63 GLN : amide:sc= 0.382 K(o=0.38,f=-1.8) USER MOD Single : A 66 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 67 MET CE :methyl 163:sc= -0.0313 (180deg=-0.36) USER MOD Single : A 68 LYS NZ :NH3+ 158:sc= -0.069 (180deg=-0.568) USER MOD Single : A 71 THR OG1 : rot 111:sc= 1.24 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -151:sc= 1.2 (180deg=0.788) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 141:sc= -1.81! USER MOD Single : A 99 TYR OH : rot 76:sc= 1.06 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl 163:sc= -0.135 (180deg=-0.55) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 ASN : amide:sc= -0.847 K(o=-0.85,f=-2.8!) USER MOD Single : A 112 LYS NZ :NH3+ -167:sc= -0.0198 (180deg=-0.195) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 47 N LYS A 5 16.373 2.734 5.074 1.00 3.56 N ATOM 48 CA LYS A 5 15.562 2.484 6.255 1.00 3.21 C ATOM 49 C LYS A 5 14.693 1.258 6.094 1.00 2.60 C ATOM 50 O LYS A 5 14.602 0.672 5.012 1.00 2.48 O ATOM 51 CB LYS A 5 14.660 3.654 6.534 1.00 3.31 C ATOM 52 CG LYS A 5 15.391 4.962 6.782 1.00 3.91 C ATOM 53 CD LYS A 5 14.457 6.029 7.327 1.00 4.47 C ATOM 54 CE LYS A 5 15.178 7.353 7.531 1.00 5.34 C ATOM 55 NZ LYS A 5 16.259 7.251 8.547 1.00 5.99 N ATOM 0 HA LYS A 5 16.257 2.328 7.080 1.00 3.21 H new ATOM 0 HB2 LYS A 5 13.982 3.784 5.690 1.00 3.31 H new ATOM 0 HB3 LYS A 5 14.045 3.424 7.404 1.00 3.31 H new ATOM 0 HG2 LYS A 5 16.206 4.796 7.487 1.00 3.91 H new ATOM 0 HG3 LYS A 5 15.840 5.311 5.852 1.00 3.91 H new ATOM 0 HD2 LYS A 5 13.624 6.170 6.639 1.00 4.47 H new ATOM 0 HD3 LYS A 5 14.035 5.694 8.274 1.00 4.47 H new ATOM 0 HE2 LYS A 5 15.602 7.684 6.583 1.00 5.34 H new ATOM 0 HE3 LYS A 5 14.460 8.112 7.841 1.00 5.34 H new ATOM 0 HZ1 LYS A 5 16.609 8.203 8.778 1.00 5.99 H new ATOM 0 HZ2 LYS A 5 15.886 6.801 9.407 1.00 5.99 H new ATOM 0 HZ3 LYS A 5 17.039 6.678 8.167 1.00 5.99 H new ATOM 69 N GLU A 6 14.054 0.887 7.184 1.00 2.54 N ATOM 70 CA GLU A 6 13.006 -0.078 7.165 1.00 2.10 C ATOM 71 C GLU A 6 11.774 0.585 6.583 1.00 1.84 C ATOM 72 O GLU A 6 11.261 1.555 7.146 1.00 2.27 O ATOM 73 CB GLU A 6 12.751 -0.547 8.587 1.00 2.49 C ATOM 74 CG GLU A 6 11.472 -1.321 8.731 1.00 2.96 C ATOM 75 CD GLU A 6 11.200 -1.751 10.157 1.00 3.57 C ATOM 76 OE1 GLU A 6 11.341 -2.956 10.458 1.00 4.01 O ATOM 77 OE2 GLU A 6 10.844 -0.890 10.985 1.00 3.94 O ATOM 0 H GLU A 6 14.259 1.259 8.111 1.00 2.54 H new ATOM 0 HA GLU A 6 13.270 -0.944 6.558 1.00 2.10 H new ATOM 0 HB2 GLU A 6 13.584 -1.170 8.913 1.00 2.49 H new ATOM 0 HB3 GLU A 6 12.722 0.318 9.249 1.00 2.49 H new ATOM 0 HG2 GLU A 6 10.642 -0.710 8.377 1.00 2.96 H new ATOM 0 HG3 GLU A 6 11.514 -2.203 8.093 1.00 2.96 H new ATOM 84 N ILE A 7 11.318 0.093 5.452 1.00 1.34 N ATOM 85 CA ILE A 7 10.249 0.761 4.739 1.00 1.10 C ATOM 86 C ILE A 7 8.896 0.481 5.391 1.00 0.99 C ATOM 87 O ILE A 7 8.681 -0.594 5.954 1.00 1.30 O ATOM 88 CB ILE A 7 10.239 0.351 3.256 1.00 1.29 C ATOM 89 CG1 ILE A 7 11.486 0.817 2.534 1.00 1.73 C ATOM 90 CG2 ILE A 7 9.037 0.873 2.538 1.00 1.29 C ATOM 91 CD1 ILE A 7 11.969 2.168 2.973 1.00 2.00 C ATOM 0 H ILE A 7 11.665 -0.758 5.009 1.00 1.34 H new ATOM 0 HA ILE A 7 10.430 1.835 4.792 1.00 1.10 H new ATOM 0 HB ILE A 7 10.209 -0.739 3.248 1.00 1.29 H new ATOM 0 HG12 ILE A 7 12.281 0.088 2.693 1.00 1.73 H new ATOM 0 HG13 ILE A 7 11.286 0.843 1.463 1.00 1.73 H new ATOM 0 HG21 ILE A 7 9.072 0.559 1.495 1.00 1.29 H new ATOM 0 HG22 ILE A 7 8.134 0.479 3.005 1.00 1.29 H new ATOM 0 HG23 ILE A 7 9.027 1.962 2.589 1.00 1.29 H new ATOM 0 HD11 ILE A 7 12.865 2.434 2.412 1.00 2.00 H new ATOM 0 HD12 ILE A 7 11.192 2.910 2.789 1.00 2.00 H new ATOM 0 HD13 ILE A 7 12.202 2.143 4.038 1.00 2.00 H new ATOM 103 N GLU A 8 7.984 1.453 5.309 1.00 0.87 N ATOM 104 CA GLU A 8 6.721 1.370 6.027 1.00 0.93 C ATOM 105 C GLU A 8 5.548 1.570 5.078 1.00 0.86 C ATOM 106 O GLU A 8 5.301 2.670 4.595 1.00 1.29 O ATOM 107 CB GLU A 8 6.683 2.391 7.166 1.00 1.41 C ATOM 108 CG GLU A 8 7.724 2.126 8.245 1.00 1.71 C ATOM 109 CD GLU A 8 7.644 3.102 9.401 1.00 2.31 C ATOM 110 OE1 GLU A 8 6.870 2.847 10.350 1.00 2.70 O ATOM 111 OE2 GLU A 8 8.347 4.137 9.363 1.00 2.71 O ATOM 0 H GLU A 8 8.101 2.301 4.754 1.00 0.87 H new ATOM 0 HA GLU A 8 6.637 0.374 6.461 1.00 0.93 H new ATOM 0 HB2 GLU A 8 6.840 3.389 6.756 1.00 1.41 H new ATOM 0 HB3 GLU A 8 5.691 2.385 7.618 1.00 1.41 H new ATOM 0 HG2 GLU A 8 7.596 1.112 8.624 1.00 1.71 H new ATOM 0 HG3 GLU A 8 8.719 2.177 7.802 1.00 1.71 H new ATOM 118 N ILE A 9 4.832 0.485 4.840 1.00 0.65 N ATOM 119 CA ILE A 9 3.772 0.421 3.838 1.00 0.68 C ATOM 120 C ILE A 9 2.450 0.885 4.427 1.00 0.53 C ATOM 121 O ILE A 9 1.906 0.210 5.296 1.00 0.68 O ATOM 122 CB ILE A 9 3.635 -1.027 3.351 1.00 0.91 C ATOM 123 CG1 ILE A 9 4.967 -1.733 3.520 1.00 0.93 C ATOM 124 CG2 ILE A 9 3.200 -1.099 1.903 1.00 1.34 C ATOM 125 CD1 ILE A 9 5.140 -2.912 2.623 1.00 1.21 C ATOM 0 H ILE A 9 4.970 -0.392 5.343 1.00 0.65 H new ATOM 0 HA ILE A 9 4.029 1.076 3.005 1.00 0.68 H new ATOM 0 HB ILE A 9 2.865 -1.515 3.949 1.00 0.91 H new ATOM 0 HG12 ILE A 9 5.771 -1.022 3.330 1.00 0.93 H new ATOM 0 HG13 ILE A 9 5.067 -2.058 4.556 1.00 0.93 H new ATOM 0 HG21 ILE A 9 3.116 -2.143 1.600 1.00 1.34 H new ATOM 0 HG22 ILE A 9 2.233 -0.609 1.789 1.00 1.34 H new ATOM 0 HG23 ILE A 9 3.937 -0.598 1.276 1.00 1.34 H new ATOM 0 HD11 ILE A 9 6.115 -3.365 2.801 1.00 1.21 H new ATOM 0 HD12 ILE A 9 4.358 -3.643 2.828 1.00 1.21 H new ATOM 0 HD13 ILE A 9 5.073 -2.591 1.583 1.00 1.21 H new ATOM 137 N VAL A 10 1.920 2.026 3.982 1.00 0.51 N ATOM 138 CA VAL A 10 0.690 2.518 4.594 1.00 0.46 C ATOM 139 C VAL A 10 -0.526 2.213 3.743 1.00 0.41 C ATOM 140 O VAL A 10 -0.619 2.623 2.583 1.00 0.44 O ATOM 141 CB VAL A 10 0.731 4.026 4.947 1.00 0.61 C ATOM 142 CG1 VAL A 10 1.607 4.797 3.973 1.00 0.92 C ATOM 143 CG2 VAL A 10 -0.685 4.615 5.005 1.00 0.77 C ATOM 0 H VAL A 10 2.304 2.603 3.234 1.00 0.51 H new ATOM 0 HA VAL A 10 0.607 1.975 5.535 1.00 0.46 H new ATOM 0 HB VAL A 10 1.175 4.124 5.937 1.00 0.61 H new ATOM 0 HG11 VAL A 10 1.615 5.852 4.248 1.00 0.92 H new ATOM 0 HG12 VAL A 10 2.623 4.405 4.009 1.00 0.92 H new ATOM 0 HG13 VAL A 10 1.211 4.688 2.963 1.00 0.92 H new ATOM 0 HG21 VAL A 10 -0.628 5.675 5.255 1.00 0.77 H new ATOM 0 HG22 VAL A 10 -1.169 4.496 4.035 1.00 0.77 H new ATOM 0 HG23 VAL A 10 -1.265 4.093 5.766 1.00 0.77 H new ATOM 153 N ILE A 11 -1.442 1.466 4.333 1.00 0.40 N ATOM 154 CA ILE A 11 -2.727 1.217 3.733 1.00 0.40 C ATOM 155 C ILE A 11 -3.755 2.107 4.393 1.00 0.44 C ATOM 156 O ILE A 11 -3.932 2.084 5.614 1.00 0.50 O ATOM 157 CB ILE A 11 -3.158 -0.254 3.889 1.00 0.47 C ATOM 158 CG1 ILE A 11 -2.026 -1.166 3.467 1.00 0.58 C ATOM 159 CG2 ILE A 11 -4.416 -0.543 3.073 1.00 0.53 C ATOM 160 CD1 ILE A 11 -1.619 -0.919 2.060 1.00 0.59 C ATOM 0 H ILE A 11 -1.310 1.019 5.240 1.00 0.40 H new ATOM 0 HA ILE A 11 -2.652 1.432 2.667 1.00 0.40 H new ATOM 0 HB ILE A 11 -3.392 -0.441 4.937 1.00 0.47 H new ATOM 0 HG12 ILE A 11 -1.171 -1.014 4.126 1.00 0.58 H new ATOM 0 HG13 ILE A 11 -2.334 -2.205 3.580 1.00 0.58 H new ATOM 0 HG21 ILE A 11 -4.700 -1.588 3.200 1.00 0.53 H new ATOM 0 HG22 ILE A 11 -5.228 0.098 3.417 1.00 0.53 H new ATOM 0 HG23 ILE A 11 -4.219 -0.346 2.019 1.00 0.53 H new ATOM 0 HD11 ILE A 11 -0.804 -1.592 1.793 1.00 0.59 H new ATOM 0 HD12 ILE A 11 -2.468 -1.097 1.399 1.00 0.59 H new ATOM 0 HD13 ILE A 11 -1.286 0.113 1.953 1.00 0.59 H new ATOM 172 N LYS A 12 -4.396 2.903 3.584 1.00 0.46 N ATOM 173 CA LYS A 12 -5.393 3.838 4.055 1.00 0.52 C ATOM 174 C LYS A 12 -6.722 3.540 3.365 1.00 0.50 C ATOM 175 O LYS A 12 -6.748 3.049 2.241 1.00 0.62 O ATOM 176 CB LYS A 12 -4.958 5.265 3.708 1.00 0.55 C ATOM 177 CG LYS A 12 -4.913 6.238 4.869 1.00 0.72 C ATOM 178 CD LYS A 12 -6.179 6.244 5.697 1.00 1.32 C ATOM 179 CE LYS A 12 -6.141 7.378 6.707 1.00 1.65 C ATOM 180 NZ LYS A 12 -7.196 7.243 7.736 1.00 2.08 N ATOM 0 H LYS A 12 -4.245 2.926 2.575 1.00 0.46 H new ATOM 0 HA LYS A 12 -5.504 3.741 5.135 1.00 0.52 H new ATOM 0 HB2 LYS A 12 -3.968 5.223 3.254 1.00 0.55 H new ATOM 0 HB3 LYS A 12 -5.638 5.659 2.953 1.00 0.55 H new ATOM 0 HG2 LYS A 12 -4.069 5.987 5.511 1.00 0.72 H new ATOM 0 HG3 LYS A 12 -4.734 7.242 4.485 1.00 0.72 H new ATOM 0 HD2 LYS A 12 -7.047 6.356 5.047 1.00 1.32 H new ATOM 0 HD3 LYS A 12 -6.288 5.291 6.214 1.00 1.32 H new ATOM 0 HE2 LYS A 12 -5.164 7.400 7.191 1.00 1.65 H new ATOM 0 HE3 LYS A 12 -6.261 8.329 6.188 1.00 1.65 H new ATOM 0 HZ1 LYS A 12 -6.942 7.810 8.570 1.00 2.08 H new ATOM 0 HZ2 LYS A 12 -8.102 7.580 7.351 1.00 2.08 H new ATOM 0 HZ3 LYS A 12 -7.287 6.244 8.011 1.00 2.08 H new ATOM 194 N ASN A 13 -7.812 3.798 4.049 1.00 0.55 N ATOM 195 CA ASN A 13 -9.135 3.752 3.450 1.00 0.59 C ATOM 196 C ASN A 13 -10.013 4.711 4.206 1.00 0.58 C ATOM 197 O ASN A 13 -10.245 4.541 5.401 1.00 0.95 O ATOM 198 CB ASN A 13 -9.723 2.342 3.474 1.00 1.01 C ATOM 199 CG ASN A 13 -11.109 2.284 2.863 1.00 2.06 C ATOM 200 OD1 ASN A 13 -11.471 3.088 2.010 1.00 2.81 O ATOM 201 ND2 ASN A 13 -11.892 1.326 3.293 1.00 2.71 N ATOM 0 H ASN A 13 -7.812 4.047 5.038 1.00 0.55 H new ATOM 0 HA ASN A 13 -9.069 4.038 2.400 1.00 0.59 H new ATOM 0 HB2 ASN A 13 -9.061 1.666 2.932 1.00 1.01 H new ATOM 0 HB3 ASN A 13 -9.768 1.987 4.504 1.00 1.01 H new ATOM 0 HD21 ASN A 13 -12.836 1.231 2.917 1.00 2.71 H new ATOM 0 HD22 ASN A 13 -11.558 0.675 4.004 1.00 2.71 H new ATOM 208 N THR A 14 -10.476 5.741 3.535 1.00 0.47 N ATOM 209 CA THR A 14 -11.068 6.843 4.245 1.00 0.74 C ATOM 210 C THR A 14 -12.089 7.603 3.418 1.00 0.54 C ATOM 211 O THR A 14 -11.750 8.421 2.585 1.00 0.70 O ATOM 212 CB THR A 14 -9.965 7.776 4.775 1.00 1.38 C ATOM 213 OG1 THR A 14 -10.471 9.079 5.081 1.00 1.79 O ATOM 214 CG2 THR A 14 -8.859 7.862 3.769 1.00 1.78 C ATOM 0 H THR A 14 -10.454 5.836 2.520 1.00 0.47 H new ATOM 0 HA THR A 14 -11.621 6.429 5.088 1.00 0.74 H new ATOM 0 HB THR A 14 -9.580 7.357 5.705 1.00 1.38 H new ATOM 0 HG1 THR A 14 -11.151 9.009 5.783 1.00 1.79 H new ATOM 0 HG21 THR A 14 -8.077 8.523 4.143 1.00 1.78 H new ATOM 0 HG22 THR A 14 -8.444 6.869 3.599 1.00 1.78 H new ATOM 0 HG23 THR A 14 -9.250 8.257 2.831 1.00 1.78 H new ATOM 222 N LEU A 15 -13.344 7.229 3.577 1.00 0.49 N ATOM 223 CA LEU A 15 -14.446 8.012 3.088 1.00 0.68 C ATOM 224 C LEU A 15 -15.213 8.575 4.274 1.00 0.84 C ATOM 225 O LEU A 15 -15.672 9.717 4.272 1.00 1.18 O ATOM 226 CB LEU A 15 -15.426 7.152 2.301 1.00 0.88 C ATOM 227 CG LEU A 15 -14.910 6.372 1.103 1.00 0.97 C ATOM 228 CD1 LEU A 15 -13.596 5.695 1.396 1.00 0.90 C ATOM 229 CD2 LEU A 15 -15.996 5.387 0.671 1.00 1.39 C ATOM 0 H LEU A 15 -13.622 6.370 4.051 1.00 0.49 H new ATOM 0 HA LEU A 15 -14.041 8.796 2.448 1.00 0.68 H new ATOM 0 HB2 LEU A 15 -15.871 6.438 2.994 1.00 0.88 H new ATOM 0 HB3 LEU A 15 -16.230 7.801 1.952 1.00 0.88 H new ATOM 0 HG LEU A 15 -14.701 7.055 0.280 1.00 0.97 H new ATOM 0 HD11 LEU A 15 -13.263 5.149 0.513 1.00 0.90 H new ATOM 0 HD12 LEU A 15 -12.851 6.445 1.661 1.00 0.90 H new ATOM 0 HD13 LEU A 15 -13.722 5.000 2.226 1.00 0.90 H new ATOM 0 HD21 LEU A 15 -15.647 4.815 -0.189 1.00 1.39 H new ATOM 0 HD22 LEU A 15 -16.218 4.707 1.493 1.00 1.39 H new ATOM 0 HD23 LEU A 15 -16.898 5.936 0.400 1.00 1.39 H new ATOM 241 N GLY A 16 -15.338 7.723 5.284 1.00 0.72 N ATOM 242 CA GLY A 16 -16.180 7.987 6.427 1.00 0.87 C ATOM 243 C GLY A 16 -16.513 6.698 7.150 1.00 0.77 C ATOM 244 O GLY A 16 -15.838 5.692 6.930 1.00 1.27 O ATOM 0 H GLY A 16 -14.852 6.827 5.326 1.00 0.72 H new ATOM 0 HA2 GLY A 16 -15.675 8.672 7.108 1.00 0.87 H new ATOM 0 HA3 GLY A 16 -17.098 8.477 6.104 1.00 0.87 H new ATOM 248 N PRO A 17 -17.542 6.689 8.004 1.00 0.67 N ATOM 249 CA PRO A 17 -17.827 5.558 8.898 1.00 0.76 C ATOM 250 C PRO A 17 -17.913 4.208 8.180 1.00 0.88 C ATOM 251 O PRO A 17 -18.597 4.075 7.162 1.00 1.27 O ATOM 252 CB PRO A 17 -19.182 5.920 9.512 1.00 1.02 C ATOM 253 CG PRO A 17 -19.261 7.403 9.417 1.00 1.42 C ATOM 254 CD PRO A 17 -18.524 7.777 8.161 1.00 1.13 C ATOM 0 HA PRO A 17 -17.025 5.424 9.624 1.00 0.76 H new ATOM 0 HB2 PRO A 17 -20.000 5.445 8.971 1.00 1.02 H new ATOM 0 HB3 PRO A 17 -19.248 5.586 10.548 1.00 1.02 H new ATOM 0 HG2 PRO A 17 -20.298 7.737 9.375 1.00 1.42 H new ATOM 0 HG3 PRO A 17 -18.809 7.875 10.290 1.00 1.42 H new ATOM 0 HD2 PRO A 17 -19.195 7.839 7.305 1.00 1.13 H new ATOM 0 HD3 PRO A 17 -18.037 8.748 8.255 1.00 1.13 H new ATOM 262 N SER A 18 -17.190 3.224 8.722 1.00 1.06 N ATOM 263 CA SER A 18 -17.231 1.837 8.253 1.00 1.31 C ATOM 264 C SER A 18 -16.566 1.664 6.885 1.00 1.10 C ATOM 265 O SER A 18 -16.982 0.823 6.085 1.00 1.50 O ATOM 266 CB SER A 18 -18.675 1.330 8.208 1.00 1.75 C ATOM 267 OG SER A 18 -19.331 1.548 9.449 1.00 2.18 O ATOM 0 H SER A 18 -16.554 3.370 9.506 1.00 1.06 H new ATOM 0 HA SER A 18 -16.662 1.242 8.967 1.00 1.31 H new ATOM 0 HB2 SER A 18 -19.218 1.839 7.411 1.00 1.75 H new ATOM 0 HB3 SER A 18 -18.683 0.266 7.970 1.00 1.75 H new ATOM 0 HG SER A 18 -20.252 1.217 9.395 1.00 2.18 H new ATOM 273 N ARG A 19 -15.529 2.448 6.622 1.00 0.81 N ATOM 274 CA ARG A 19 -14.744 2.270 5.409 1.00 0.66 C ATOM 275 C ARG A 19 -13.599 1.310 5.679 1.00 0.64 C ATOM 276 O ARG A 19 -12.612 1.663 6.320 1.00 1.02 O ATOM 277 CB ARG A 19 -14.223 3.607 4.867 1.00 0.68 C ATOM 278 CG ARG A 19 -15.102 4.238 3.810 1.00 1.15 C ATOM 279 CD ARG A 19 -16.557 4.384 4.247 1.00 1.94 C ATOM 280 NE ARG A 19 -17.350 3.175 4.028 1.00 2.51 N ATOM 281 CZ ARG A 19 -18.682 3.161 4.006 1.00 3.32 C ATOM 282 NH1 ARG A 19 -19.363 4.290 4.159 1.00 3.76 N ATOM 283 NH2 ARG A 19 -19.332 2.019 3.822 1.00 3.99 N ATOM 0 H ARG A 19 -15.214 3.207 7.227 1.00 0.81 H new ATOM 0 HA ARG A 19 -15.392 1.848 4.641 1.00 0.66 H new ATOM 0 HB2 ARG A 19 -14.116 4.305 5.697 1.00 0.68 H new ATOM 0 HB3 ARG A 19 -13.228 3.453 4.450 1.00 0.68 H new ATOM 0 HG2 ARG A 19 -14.705 5.221 3.556 1.00 1.15 H new ATOM 0 HG3 ARG A 19 -15.060 3.634 2.904 1.00 1.15 H new ATOM 0 HD2 ARG A 19 -16.587 4.643 5.305 1.00 1.94 H new ATOM 0 HD3 ARG A 19 -17.011 5.212 3.703 1.00 1.94 H new ATOM 0 HE ARG A 19 -16.856 2.294 3.884 1.00 2.51 H new ATOM 0 HH11 ARG A 19 -18.867 5.171 4.294 1.00 3.76 H new ATOM 0 HH12 ARG A 19 -20.383 4.277 4.142 1.00 3.76 H new ATOM 0 HH21 ARG A 19 -18.812 1.151 3.697 1.00 3.99 H new ATOM 0 HH22 ARG A 19 -20.352 2.010 3.805 1.00 3.99 H new ATOM 297 N ILE A 20 -13.751 0.091 5.180 1.00 0.52 N ATOM 298 CA ILE A 20 -12.797 -0.986 5.438 1.00 0.51 C ATOM 299 C ILE A 20 -12.373 -1.652 4.129 1.00 0.54 C ATOM 300 O ILE A 20 -13.225 -2.064 3.343 1.00 0.76 O ATOM 301 CB ILE A 20 -13.397 -2.089 6.346 1.00 0.65 C ATOM 302 CG1 ILE A 20 -14.318 -1.513 7.397 1.00 0.78 C ATOM 303 CG2 ILE A 20 -12.305 -2.868 7.024 1.00 0.72 C ATOM 304 CD1 ILE A 20 -13.619 -0.678 8.419 1.00 0.83 C ATOM 0 H ILE A 20 -14.535 -0.182 4.587 1.00 0.52 H new ATOM 0 HA ILE A 20 -11.944 -0.527 5.938 1.00 0.51 H new ATOM 0 HB ILE A 20 -13.977 -2.750 5.702 1.00 0.65 H new ATOM 0 HG12 ILE A 20 -15.080 -0.908 6.906 1.00 0.78 H new ATOM 0 HG13 ILE A 20 -14.835 -2.330 7.901 1.00 0.78 H new ATOM 0 HG21 ILE A 20 -12.746 -3.638 7.657 1.00 0.72 H new ATOM 0 HG22 ILE A 20 -11.671 -3.337 6.271 1.00 0.72 H new ATOM 0 HG23 ILE A 20 -11.704 -2.195 7.636 1.00 0.72 H new ATOM 0 HD11 ILE A 20 -14.345 -0.300 9.139 1.00 0.83 H new ATOM 0 HD12 ILE A 20 -12.876 -1.284 8.937 1.00 0.83 H new ATOM 0 HD13 ILE A 20 -13.125 0.160 7.928 1.00 0.83 H new ATOM 316 N LEU A 21 -11.068 -1.729 3.887 1.00 0.50 N ATOM 317 CA LEU A 21 -10.527 -2.528 2.779 1.00 0.55 C ATOM 318 C LEU A 21 -9.444 -3.445 3.314 1.00 0.52 C ATOM 319 O LEU A 21 -8.612 -3.026 4.118 1.00 0.75 O ATOM 320 CB LEU A 21 -9.956 -1.659 1.635 1.00 0.72 C ATOM 321 CG LEU A 21 -10.873 -1.464 0.419 1.00 1.39 C ATOM 322 CD1 LEU A 21 -11.283 -2.803 -0.175 1.00 2.23 C ATOM 323 CD2 LEU A 21 -12.096 -0.650 0.779 1.00 2.20 C ATOM 0 H LEU A 21 -10.359 -1.249 4.442 1.00 0.50 H new ATOM 0 HA LEU A 21 -11.350 -3.105 2.357 1.00 0.55 H new ATOM 0 HB2 LEU A 21 -9.708 -0.678 2.039 1.00 0.72 H new ATOM 0 HB3 LEU A 21 -9.023 -2.109 1.294 1.00 0.72 H new ATOM 0 HG LEU A 21 -10.308 -0.913 -0.333 1.00 1.39 H new ATOM 0 HD11 LEU A 21 -11.932 -2.636 -1.035 1.00 2.23 H new ATOM 0 HD12 LEU A 21 -10.394 -3.348 -0.492 1.00 2.23 H new ATOM 0 HD13 LEU A 21 -11.817 -3.386 0.575 1.00 2.23 H new ATOM 0 HD21 LEU A 21 -12.725 -0.529 -0.103 1.00 2.20 H new ATOM 0 HD22 LEU A 21 -12.658 -1.164 1.559 1.00 2.20 H new ATOM 0 HD23 LEU A 21 -11.787 0.331 1.141 1.00 2.20 H new ATOM 335 N GLN A 22 -9.466 -4.699 2.899 1.00 0.47 N ATOM 336 CA GLN A 22 -8.494 -5.656 3.358 1.00 0.47 C ATOM 337 C GLN A 22 -7.406 -5.839 2.311 1.00 0.42 C ATOM 338 O GLN A 22 -7.673 -6.298 1.204 1.00 0.51 O ATOM 339 CB GLN A 22 -9.185 -6.979 3.669 1.00 0.60 C ATOM 340 CG GLN A 22 -8.227 -8.054 4.108 1.00 0.71 C ATOM 341 CD GLN A 22 -8.922 -9.332 4.534 1.00 0.97 C ATOM 342 OE1 GLN A 22 -10.078 -9.601 3.947 1.00 1.69 O flip ATOM 343 NE2 GLN A 22 -8.425 -10.067 5.386 1.00 1.34 N flip ATOM 0 H GLN A 22 -10.152 -5.072 2.243 1.00 0.47 H new ATOM 0 HA GLN A 22 -8.024 -5.289 4.271 1.00 0.47 H new ATOM 0 HB2 GLN A 22 -9.927 -6.820 4.451 1.00 0.60 H new ATOM 0 HB3 GLN A 22 -9.723 -7.319 2.784 1.00 0.60 H new ATOM 0 HG2 GLN A 22 -7.540 -8.276 3.291 1.00 0.71 H new ATOM 0 HG3 GLN A 22 -7.626 -7.680 4.937 1.00 0.71 H new ATOM 0 HE21 GLN A 22 -7.532 -9.822 5.813 1.00 1.34 H new ATOM 0 HE22 GLN A 22 -8.906 -10.922 5.665 1.00 1.34 H new ATOM 352 N TYR A 23 -6.186 -5.472 2.665 1.00 0.42 N ATOM 353 CA TYR A 23 -5.073 -5.529 1.735 1.00 0.42 C ATOM 354 C TYR A 23 -4.246 -6.793 1.949 1.00 0.41 C ATOM 355 O TYR A 23 -3.994 -7.207 3.083 1.00 0.49 O ATOM 356 CB TYR A 23 -4.179 -4.296 1.884 1.00 0.52 C ATOM 357 CG TYR A 23 -3.547 -4.202 3.249 1.00 0.50 C ATOM 358 CD1 TYR A 23 -4.236 -3.643 4.310 1.00 0.54 C ATOM 359 CD2 TYR A 23 -2.271 -4.688 3.477 1.00 0.58 C ATOM 360 CE1 TYR A 23 -3.673 -3.567 5.567 1.00 0.61 C ATOM 361 CE2 TYR A 23 -1.696 -4.617 4.730 1.00 0.63 C ATOM 362 CZ TYR A 23 -2.401 -4.055 5.773 1.00 0.63 C ATOM 363 OH TYR A 23 -1.834 -3.984 7.027 1.00 0.74 O ATOM 0 H TYR A 23 -5.941 -5.130 3.594 1.00 0.42 H new ATOM 0 HA TYR A 23 -5.486 -5.548 0.726 1.00 0.42 H new ATOM 0 HB2 TYR A 23 -3.396 -4.325 1.126 1.00 0.52 H new ATOM 0 HB3 TYR A 23 -4.769 -3.399 1.698 1.00 0.52 H new ATOM 0 HD1 TYR A 23 -5.233 -3.259 4.151 1.00 0.54 H new ATOM 0 HD2 TYR A 23 -1.717 -5.130 2.662 1.00 0.58 H new ATOM 0 HE1 TYR A 23 -4.226 -3.128 6.384 1.00 0.61 H new ATOM 0 HE2 TYR A 23 -0.699 -5.000 4.892 1.00 0.63 H new ATOM 0 HH TYR A 23 -0.935 -4.373 7.002 1.00 0.74 H new ATOM 373 N HIS A 24 -3.856 -7.415 0.852 1.00 0.50 N ATOM 374 CA HIS A 24 -2.925 -8.528 0.884 1.00 0.57 C ATOM 375 C HIS A 24 -1.661 -8.152 0.136 1.00 0.60 C ATOM 376 O HIS A 24 -1.628 -8.212 -1.086 1.00 0.58 O ATOM 377 CB HIS A 24 -3.540 -9.769 0.240 1.00 0.61 C ATOM 378 CG HIS A 24 -2.652 -10.974 0.307 1.00 0.71 C ATOM 379 ND1 HIS A 24 -1.481 -11.008 1.038 1.00 0.75 N ATOM 380 CD2 HIS A 24 -2.775 -12.197 -0.257 1.00 0.85 C ATOM 381 CE1 HIS A 24 -0.927 -12.199 0.920 1.00 0.88 C ATOM 382 NE2 HIS A 24 -1.692 -12.940 0.141 1.00 0.94 N ATOM 0 H HIS A 24 -4.174 -7.164 -0.084 1.00 0.50 H new ATOM 0 HA HIS A 24 -2.691 -8.753 1.925 1.00 0.57 H new ATOM 0 HB2 HIS A 24 -4.485 -9.995 0.733 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -3.769 -9.553 -0.804 1.00 0.61 H new ATOM 0 HD1 HIS A 24 -1.104 -10.233 1.584 1.00 0.75 H new ATOM 0 HD2 HIS A 24 -3.577 -12.528 -0.901 1.00 0.85 H new ATOM 0 HE1 HIS A 24 -0.004 -12.514 1.383 1.00 0.88 H new ATOM 391 N CYS A 25 -0.622 -7.771 0.855 1.00 0.71 N ATOM 392 CA CYS A 25 0.588 -7.326 0.194 1.00 0.74 C ATOM 393 C CYS A 25 1.593 -8.453 -0.043 1.00 0.91 C ATOM 394 O CYS A 25 2.112 -9.064 0.891 1.00 1.01 O ATOM 395 CB CYS A 25 1.217 -6.158 0.949 1.00 0.79 C ATOM 396 SG CYS A 25 1.704 -4.780 -0.136 1.00 1.12 S ATOM 0 H CYS A 25 -0.590 -7.760 1.874 1.00 0.71 H new ATOM 0 HA CYS A 25 0.296 -6.978 -0.797 1.00 0.74 H new ATOM 0 HB2 CYS A 25 0.510 -5.793 1.694 1.00 0.79 H new ATOM 0 HB3 CYS A 25 2.094 -6.514 1.489 1.00 0.79 H new ATOM 401 N ARG A 26 1.802 -8.738 -1.330 1.00 1.14 N ATOM 402 CA ARG A 26 2.739 -9.770 -1.787 1.00 1.38 C ATOM 403 C ARG A 26 3.221 -9.545 -3.243 1.00 1.87 C ATOM 404 O ARG A 26 2.530 -9.909 -4.176 1.00 2.24 O ATOM 405 CB ARG A 26 2.124 -11.164 -1.662 1.00 1.45 C ATOM 406 CG ARG A 26 0.731 -11.296 -2.263 1.00 2.13 C ATOM 407 CD ARG A 26 0.334 -12.756 -2.434 1.00 2.66 C ATOM 408 NE ARG A 26 1.081 -13.402 -3.510 1.00 3.26 N ATOM 409 CZ ARG A 26 1.474 -14.677 -3.496 1.00 4.00 C ATOM 410 NH1 ARG A 26 1.210 -15.457 -2.453 1.00 4.21 N ATOM 411 NH2 ARG A 26 2.127 -15.175 -4.538 1.00 4.86 N ATOM 0 H ARG A 26 1.323 -8.256 -2.091 1.00 1.14 H new ATOM 0 HA ARG A 26 3.610 -9.695 -1.136 1.00 1.38 H new ATOM 0 HB2 ARG A 26 2.784 -11.883 -2.146 1.00 1.45 H new ATOM 0 HB3 ARG A 26 2.078 -11.434 -0.607 1.00 1.45 H new ATOM 0 HG2 ARG A 26 0.007 -10.794 -1.621 1.00 2.13 H new ATOM 0 HG3 ARG A 26 0.702 -10.794 -3.230 1.00 2.13 H new ATOM 0 HD2 ARG A 26 0.507 -13.291 -1.500 1.00 2.66 H new ATOM 0 HD3 ARG A 26 -0.734 -12.819 -2.644 1.00 2.66 H new ATOM 0 HE ARG A 26 1.318 -12.840 -4.328 1.00 3.26 H new ATOM 0 HH11 ARG A 26 0.702 -15.083 -1.652 1.00 4.21 H new ATOM 0 HH12 ARG A 26 1.515 -16.430 -2.454 1.00 4.21 H new ATOM 0 HH21 ARG A 26 2.326 -14.584 -5.345 1.00 4.86 H new ATOM 0 HH22 ARG A 26 2.430 -16.149 -4.532 1.00 4.86 H new ATOM 425 N SER A 27 4.395 -8.916 -3.400 1.00 2.10 N ATOM 426 CA SER A 27 5.139 -8.785 -4.684 1.00 2.66 C ATOM 427 C SER A 27 6.414 -7.982 -4.431 1.00 2.39 C ATOM 428 O SER A 27 6.343 -6.767 -4.288 1.00 2.70 O ATOM 429 CB SER A 27 4.360 -8.099 -5.803 1.00 3.73 C ATOM 430 OG SER A 27 3.330 -8.922 -6.327 1.00 4.43 O ATOM 0 H SER A 27 4.876 -8.467 -2.620 1.00 2.10 H new ATOM 0 HA SER A 27 5.340 -9.802 -5.021 1.00 2.66 H new ATOM 0 HB2 SER A 27 3.925 -7.174 -5.425 1.00 3.73 H new ATOM 0 HB3 SER A 27 5.046 -7.825 -6.605 1.00 3.73 H new ATOM 0 HG SER A 27 3.110 -9.624 -5.679 1.00 4.43 H new ATOM 436 N GLY A 28 7.561 -8.613 -4.335 1.00 2.45 N ATOM 437 CA GLY A 28 8.750 -7.849 -4.051 1.00 2.54 C ATOM 438 C GLY A 28 9.672 -8.469 -3.022 1.00 2.68 C ATOM 439 O GLY A 28 10.502 -9.309 -3.360 1.00 3.22 O ATOM 0 H GLY A 28 7.695 -9.618 -4.445 1.00 2.45 H new ATOM 0 HA2 GLY A 28 9.305 -7.709 -4.978 1.00 2.54 H new ATOM 0 HA3 GLY A 28 8.455 -6.859 -3.704 1.00 2.54 H new ATOM 443 N ASN A 29 9.530 -8.065 -1.759 1.00 2.60 N ATOM 444 CA ASN A 29 10.576 -8.333 -0.773 1.00 2.96 C ATOM 445 C ASN A 29 10.148 -9.204 0.421 1.00 2.76 C ATOM 446 O ASN A 29 10.964 -9.974 0.913 1.00 3.04 O ATOM 447 CB ASN A 29 11.156 -7.010 -0.269 1.00 3.49 C ATOM 448 CG ASN A 29 12.409 -7.203 0.565 1.00 4.17 C ATOM 449 OD1 ASN A 29 13.507 -7.323 0.026 1.00 4.66 O ATOM 450 ND2 ASN A 29 12.260 -7.219 1.876 1.00 4.63 N ATOM 0 H ASN A 29 8.719 -7.561 -1.400 1.00 2.60 H new ATOM 0 HA ASN A 29 11.327 -8.922 -1.300 1.00 2.96 H new ATOM 0 HB2 ASN A 29 11.386 -6.370 -1.121 1.00 3.49 H new ATOM 0 HB3 ASN A 29 10.404 -6.491 0.326 1.00 3.49 H new ATOM 0 HD21 ASN A 29 13.074 -7.334 2.480 1.00 4.63 H new ATOM 0 HD22 ASN A 29 11.331 -7.116 2.285 1.00 4.63 H new ATOM 457 N THR A 30 8.890 -9.135 0.885 1.00 2.45 N ATOM 458 CA THR A 30 8.537 -9.840 2.143 1.00 2.33 C ATOM 459 C THR A 30 7.040 -10.147 2.238 1.00 2.07 C ATOM 460 O THR A 30 6.219 -9.247 2.228 1.00 2.10 O ATOM 461 CB THR A 30 8.932 -9.029 3.394 1.00 2.45 C ATOM 462 OG1 THR A 30 10.057 -8.184 3.122 1.00 2.93 O ATOM 463 CG2 THR A 30 9.269 -9.963 4.546 1.00 2.70 C ATOM 0 H THR A 30 8.127 -8.626 0.439 1.00 2.45 H new ATOM 0 HA THR A 30 9.101 -10.772 2.113 1.00 2.33 H new ATOM 0 HB THR A 30 8.082 -8.405 3.670 1.00 2.45 H new ATOM 0 HG1 THR A 30 10.486 -7.929 3.965 1.00 2.93 H new ATOM 0 HG21 THR A 30 9.546 -9.376 5.422 1.00 2.70 H new ATOM 0 HG22 THR A 30 8.401 -10.578 4.781 1.00 2.70 H new ATOM 0 HG23 THR A 30 10.102 -10.605 4.262 1.00 2.70 H new ATOM 471 N ASN A 31 6.687 -11.422 2.348 1.00 1.97 N ATOM 472 CA ASN A 31 5.277 -11.818 2.419 1.00 1.75 C ATOM 473 C ASN A 31 4.597 -11.164 3.622 1.00 1.78 C ATOM 474 O ASN A 31 4.837 -11.549 4.766 1.00 2.34 O ATOM 475 CB ASN A 31 5.155 -13.341 2.508 1.00 2.09 C ATOM 476 CG ASN A 31 3.713 -13.815 2.562 1.00 2.43 C ATOM 477 OD1 ASN A 31 3.071 -14.009 1.530 1.00 2.89 O ATOM 478 ND2 ASN A 31 3.200 -14.021 3.764 1.00 2.98 N ATOM 0 H ASN A 31 7.348 -12.197 2.390 1.00 1.97 H new ATOM 0 HA ASN A 31 4.779 -11.479 1.511 1.00 1.75 H new ATOM 0 HB2 ASN A 31 5.648 -13.791 1.647 1.00 2.09 H new ATOM 0 HB3 ASN A 31 5.681 -13.692 3.396 1.00 2.09 H new ATOM 0 HD21 ASN A 31 2.240 -14.352 3.859 1.00 2.98 H new ATOM 0 HD22 ASN A 31 3.765 -13.849 4.596 1.00 2.98 H new ATOM 485 N VAL A 32 3.763 -10.165 3.352 1.00 1.39 N ATOM 486 CA VAL A 32 3.120 -9.396 4.410 1.00 1.52 C ATOM 487 C VAL A 32 1.947 -10.151 5.026 1.00 1.38 C ATOM 488 O VAL A 32 1.986 -10.518 6.200 1.00 2.10 O ATOM 489 CB VAL A 32 2.620 -8.024 3.905 1.00 2.13 C ATOM 490 CG1 VAL A 32 1.932 -7.260 5.023 1.00 2.68 C ATOM 491 CG2 VAL A 32 3.765 -7.206 3.327 1.00 2.64 C ATOM 0 H VAL A 32 3.517 -9.869 2.407 1.00 1.39 H new ATOM 0 HA VAL A 32 3.884 -9.238 5.171 1.00 1.52 H new ATOM 0 HB VAL A 32 1.895 -8.202 3.111 1.00 2.13 H new ATOM 0 HG11 VAL A 32 1.587 -6.297 4.647 1.00 2.68 H new ATOM 0 HG12 VAL A 32 1.079 -7.834 5.385 1.00 2.68 H new ATOM 0 HG13 VAL A 32 2.635 -7.100 5.840 1.00 2.68 H new ATOM 0 HG21 VAL A 32 3.386 -6.245 2.979 1.00 2.64 H new ATOM 0 HG22 VAL A 32 4.519 -7.041 4.096 1.00 2.64 H new ATOM 0 HG23 VAL A 32 4.211 -7.745 2.491 1.00 2.64 H new ATOM 501 N GLY A 33 0.901 -10.372 4.241 1.00 1.00 N ATOM 502 CA GLY A 33 -0.268 -11.014 4.749 1.00 1.43 C ATOM 503 C GLY A 33 -1.498 -10.266 4.337 1.00 0.99 C ATOM 504 O GLY A 33 -1.471 -9.524 3.349 1.00 1.13 O ATOM 0 H GLY A 33 0.854 -10.111 3.256 1.00 1.00 H new ATOM 0 HA2 GLY A 33 -0.317 -12.038 4.379 1.00 1.43 H new ATOM 0 HA3 GLY A 33 -0.216 -11.070 5.836 1.00 1.43 H new ATOM 508 N VAL A 34 -2.572 -10.451 5.075 1.00 0.80 N ATOM 509 CA VAL A 34 -3.869 -9.942 4.670 1.00 0.56 C ATOM 510 C VAL A 34 -4.601 -9.326 5.861 1.00 0.63 C ATOM 511 O VAL A 34 -4.973 -10.033 6.800 1.00 1.03 O ATOM 512 CB VAL A 34 -4.715 -11.078 4.067 1.00 0.89 C ATOM 513 CG1 VAL A 34 -5.861 -10.526 3.238 1.00 1.17 C ATOM 514 CG2 VAL A 34 -3.829 -11.999 3.245 1.00 1.06 C ATOM 0 H VAL A 34 -2.574 -10.952 5.963 1.00 0.80 H new ATOM 0 HA VAL A 34 -3.717 -9.168 3.917 1.00 0.56 H new ATOM 0 HB VAL A 34 -5.156 -11.656 4.879 1.00 0.89 H new ATOM 0 HG11 VAL A 34 -6.441 -11.351 2.825 1.00 1.17 H new ATOM 0 HG12 VAL A 34 -6.503 -9.911 3.869 1.00 1.17 H new ATOM 0 HG13 VAL A 34 -5.463 -9.919 2.425 1.00 1.17 H new ATOM 0 HG21 VAL A 34 -4.433 -12.801 2.821 1.00 1.06 H new ATOM 0 HG22 VAL A 34 -3.362 -11.432 2.440 1.00 1.06 H new ATOM 0 HG23 VAL A 34 -3.056 -12.426 3.884 1.00 1.06 H new ATOM 524 N GLN A 35 -4.789 -8.013 5.834 1.00 0.63 N ATOM 525 CA GLN A 35 -5.345 -7.298 6.943 1.00 0.85 C ATOM 526 C GLN A 35 -6.231 -6.146 6.447 1.00 0.70 C ATOM 527 O GLN A 35 -6.017 -5.636 5.357 1.00 0.82 O ATOM 528 CB GLN A 35 -4.172 -6.792 7.767 1.00 1.45 C ATOM 529 CG GLN A 35 -4.582 -5.933 8.915 1.00 2.06 C ATOM 530 CD GLN A 35 -3.509 -5.827 9.989 1.00 2.71 C ATOM 531 OE1 GLN A 35 -3.389 -4.809 10.662 1.00 3.16 O ATOM 532 NE2 GLN A 35 -2.729 -6.882 10.169 1.00 3.28 N ATOM 0 H GLN A 35 -4.555 -7.425 5.034 1.00 0.63 H new ATOM 0 HA GLN A 35 -5.984 -7.938 7.552 1.00 0.85 H new ATOM 0 HB2 GLN A 35 -3.608 -7.645 8.144 1.00 1.45 H new ATOM 0 HB3 GLN A 35 -3.501 -6.226 7.121 1.00 1.45 H new ATOM 0 HG2 GLN A 35 -4.821 -4.935 8.548 1.00 2.06 H new ATOM 0 HG3 GLN A 35 -5.493 -6.337 9.357 1.00 2.06 H new ATOM 0 HE21 GLN A 35 -2.855 -7.714 9.592 1.00 3.28 H new ATOM 0 HE22 GLN A 35 -2.002 -6.863 10.885 1.00 3.28 H new ATOM 541 N TYR A 36 -7.235 -5.755 7.230 1.00 0.78 N ATOM 542 CA TYR A 36 -8.117 -4.649 6.846 1.00 0.73 C ATOM 543 C TYR A 36 -7.911 -3.433 7.736 1.00 0.78 C ATOM 544 O TYR A 36 -7.395 -3.552 8.849 1.00 1.06 O ATOM 545 CB TYR A 36 -9.585 -5.056 6.840 1.00 0.94 C ATOM 546 CG TYR A 36 -10.010 -5.897 8.000 1.00 1.62 C ATOM 547 CD1 TYR A 36 -9.578 -7.201 8.132 1.00 2.09 C ATOM 548 CD2 TYR A 36 -10.825 -5.367 8.970 1.00 2.13 C ATOM 549 CE1 TYR A 36 -9.953 -7.963 9.213 1.00 3.04 C ATOM 550 CE2 TYR A 36 -11.217 -6.114 10.060 1.00 3.13 C ATOM 551 CZ TYR A 36 -10.817 -7.492 10.110 1.00 3.57 C ATOM 552 OH TYR A 36 -11.159 -8.168 11.270 1.00 4.60 O ATOM 0 H TYR A 36 -7.459 -6.183 8.128 1.00 0.78 H new ATOM 0 HA TYR A 36 -7.843 -4.380 5.826 1.00 0.73 H new ATOM 0 HB2 TYR A 36 -10.197 -4.154 6.820 1.00 0.94 H new ATOM 0 HB3 TYR A 36 -9.792 -5.602 5.919 1.00 0.94 H new ATOM 0 HD1 TYR A 36 -8.937 -7.629 7.376 1.00 2.09 H new ATOM 0 HD2 TYR A 36 -11.165 -4.346 8.877 1.00 2.13 H new ATOM 0 HE1 TYR A 36 -9.542 -8.954 9.336 1.00 3.04 H new ATOM 0 HE2 TYR A 36 -11.807 -5.676 10.852 1.00 3.13 H new ATOM 0 HH TYR A 36 -11.807 -7.637 11.779 1.00 4.60 H new ATOM 562 N LEU A 37 -8.305 -2.264 7.241 1.00 0.72 N ATOM 563 CA LEU A 37 -8.146 -1.025 7.993 1.00 0.89 C ATOM 564 C LEU A 37 -9.450 -0.233 8.016 1.00 0.70 C ATOM 565 O LEU A 37 -10.276 -0.357 7.107 1.00 0.61 O ATOM 566 CB LEU A 37 -6.968 -0.183 7.435 1.00 1.23 C ATOM 567 CG LEU A 37 -7.163 0.625 6.140 1.00 1.93 C ATOM 568 CD1 LEU A 37 -7.826 -0.189 5.044 1.00 2.72 C ATOM 569 CD2 LEU A 37 -7.926 1.906 6.416 1.00 2.57 C ATOM 0 H LEU A 37 -8.736 -2.149 6.324 1.00 0.72 H new ATOM 0 HA LEU A 37 -7.901 -1.279 9.024 1.00 0.89 H new ATOM 0 HB2 LEU A 37 -6.668 0.517 8.215 1.00 1.23 H new ATOM 0 HB3 LEU A 37 -6.129 -0.860 7.275 1.00 1.23 H new ATOM 0 HG LEU A 37 -6.171 0.889 5.772 1.00 1.93 H new ATOM 0 HD11 LEU A 37 -7.941 0.427 4.152 1.00 2.72 H new ATOM 0 HD12 LEU A 37 -7.208 -1.056 4.810 1.00 2.72 H new ATOM 0 HD13 LEU A 37 -8.807 -0.524 5.382 1.00 2.72 H new ATOM 0 HD21 LEU A 37 -8.052 2.462 5.487 1.00 2.57 H new ATOM 0 HD22 LEU A 37 -8.905 1.664 6.830 1.00 2.57 H new ATOM 0 HD23 LEU A 37 -7.370 2.514 7.129 1.00 2.57 H new ATOM 581 N ASN A 38 -9.624 0.564 9.067 1.00 0.78 N ATOM 582 CA ASN A 38 -10.823 1.372 9.250 1.00 0.73 C ATOM 583 C ASN A 38 -10.569 2.816 8.837 1.00 0.68 C ATOM 584 O ASN A 38 -9.424 3.266 8.783 1.00 0.75 O ATOM 585 CB ASN A 38 -11.256 1.372 10.722 1.00 0.94 C ATOM 586 CG ASN A 38 -11.330 -0.013 11.341 1.00 1.62 C ATOM 587 OD1 ASN A 38 -12.368 -0.675 11.296 1.00 2.32 O ATOM 588 ND2 ASN A 38 -10.238 -0.452 11.949 1.00 2.29 N ATOM 0 H ASN A 38 -8.937 0.667 9.814 1.00 0.78 H new ATOM 0 HA ASN A 38 -11.605 0.937 8.628 1.00 0.73 H new ATOM 0 HB2 ASN A 38 -10.556 1.979 11.296 1.00 0.94 H new ATOM 0 HB3 ASN A 38 -12.233 1.848 10.803 1.00 0.94 H new ATOM 0 HD21 ASN A 38 -10.238 -1.367 12.400 1.00 2.29 H new ATOM 0 HD22 ASN A 38 -9.397 0.125 11.966 1.00 2.29 H new ATOM 595 N PHE A 39 -11.644 3.542 8.572 1.00 0.68 N ATOM 596 CA PHE A 39 -11.556 4.975 8.326 1.00 0.72 C ATOM 597 C PHE A 39 -11.150 5.673 9.621 1.00 0.83 C ATOM 598 O PHE A 39 -11.484 5.196 10.708 1.00 1.66 O ATOM 599 CB PHE A 39 -12.892 5.510 7.773 1.00 0.85 C ATOM 600 CG PHE A 39 -13.099 6.998 7.951 1.00 1.07 C ATOM 601 CD1 PHE A 39 -12.374 7.918 7.214 1.00 1.35 C ATOM 602 CD2 PHE A 39 -14.027 7.474 8.868 1.00 1.43 C ATOM 603 CE1 PHE A 39 -12.564 9.277 7.390 1.00 1.80 C ATOM 604 CE2 PHE A 39 -14.221 8.829 9.043 1.00 1.87 C ATOM 605 CZ PHE A 39 -13.486 9.731 8.306 1.00 2.03 C ATOM 0 H PHE A 39 -12.590 3.163 8.521 1.00 0.68 H new ATOM 0 HA PHE A 39 -10.798 5.181 7.570 1.00 0.72 H new ATOM 0 HB2 PHE A 39 -12.951 5.273 6.711 1.00 0.85 H new ATOM 0 HB3 PHE A 39 -13.710 4.982 8.263 1.00 0.85 H new ATOM 0 HD1 PHE A 39 -11.650 7.570 6.492 1.00 1.35 H new ATOM 0 HD2 PHE A 39 -14.605 6.774 9.453 1.00 1.43 H new ATOM 0 HE1 PHE A 39 -11.989 9.982 6.808 1.00 1.80 H new ATOM 0 HE2 PHE A 39 -14.949 9.182 9.758 1.00 1.87 H new ATOM 0 HZ PHE A 39 -13.633 10.792 8.446 1.00 2.03 H new ATOM 615 N LYS A 40 -10.423 6.790 9.488 1.00 0.86 N ATOM 616 CA LYS A 40 -9.743 7.457 10.610 1.00 0.97 C ATOM 617 C LYS A 40 -8.502 6.680 11.007 1.00 0.72 C ATOM 618 O LYS A 40 -7.795 7.058 11.941 1.00 1.17 O ATOM 619 CB LYS A 40 -10.632 7.609 11.841 1.00 1.52 C ATOM 620 CG LYS A 40 -11.883 8.439 11.620 1.00 2.18 C ATOM 621 CD LYS A 40 -12.719 8.506 12.885 1.00 2.89 C ATOM 622 CE LYS A 40 -13.929 9.404 12.712 1.00 3.36 C ATOM 623 NZ LYS A 40 -14.731 9.498 13.961 1.00 3.76 N ATOM 0 H LYS A 40 -10.288 7.261 8.593 1.00 0.86 H new ATOM 0 HA LYS A 40 -9.482 8.455 10.257 1.00 0.97 H new ATOM 0 HB2 LYS A 40 -10.926 6.617 12.185 1.00 1.52 H new ATOM 0 HB3 LYS A 40 -10.047 8.063 12.641 1.00 1.52 H new ATOM 0 HG2 LYS A 40 -11.606 9.446 11.309 1.00 2.18 H new ATOM 0 HG3 LYS A 40 -12.473 8.007 10.812 1.00 2.18 H new ATOM 0 HD2 LYS A 40 -13.047 7.503 13.158 1.00 2.89 H new ATOM 0 HD3 LYS A 40 -12.106 8.876 13.707 1.00 2.89 H new ATOM 0 HE2 LYS A 40 -13.602 10.400 12.414 1.00 3.36 H new ATOM 0 HE3 LYS A 40 -14.555 9.019 11.907 1.00 3.36 H new ATOM 0 HZ1 LYS A 40 -15.549 10.120 13.802 1.00 3.76 H new ATOM 0 HZ2 LYS A 40 -15.064 8.551 14.232 1.00 3.76 H new ATOM 0 HZ3 LYS A 40 -14.141 9.889 14.724 1.00 3.76 H new ATOM 637 N GLY A 41 -8.240 5.590 10.302 1.00 0.71 N ATOM 638 CA GLY A 41 -7.138 4.755 10.642 1.00 1.13 C ATOM 639 C GLY A 41 -6.294 4.398 9.443 1.00 0.94 C ATOM 640 O GLY A 41 -6.699 4.576 8.294 1.00 1.09 O ATOM 0 H GLY A 41 -8.783 5.278 9.497 1.00 0.71 H new ATOM 0 HA2 GLY A 41 -6.517 5.261 11.382 1.00 1.13 H new ATOM 0 HA3 GLY A 41 -7.508 3.841 11.107 1.00 1.13 H new ATOM 644 N THR A 42 -5.115 3.923 9.739 1.00 0.82 N ATOM 645 CA THR A 42 -4.155 3.448 8.756 1.00 0.68 C ATOM 646 C THR A 42 -3.696 2.053 9.155 1.00 0.65 C ATOM 647 O THR A 42 -3.848 1.651 10.313 1.00 0.75 O ATOM 648 CB THR A 42 -2.935 4.378 8.697 1.00 0.69 C ATOM 649 OG1 THR A 42 -2.804 5.102 9.929 1.00 0.81 O ATOM 650 CG2 THR A 42 -3.042 5.347 7.540 1.00 0.71 C ATOM 0 H THR A 42 -4.777 3.850 10.699 1.00 0.82 H new ATOM 0 HA THR A 42 -4.630 3.431 7.775 1.00 0.68 H new ATOM 0 HB THR A 42 -2.049 3.761 8.546 1.00 0.69 H new ATOM 0 HG1 THR A 42 -2.022 5.691 9.881 1.00 0.81 H new ATOM 0 HG21 THR A 42 -2.164 5.993 7.524 1.00 0.71 H new ATOM 0 HG22 THR A 42 -3.101 4.791 6.604 1.00 0.71 H new ATOM 0 HG23 THR A 42 -3.938 5.956 7.657 1.00 0.71 H new ATOM 658 N ARG A 43 -3.153 1.315 8.217 1.00 0.58 N ATOM 659 CA ARG A 43 -2.557 0.034 8.520 1.00 0.58 C ATOM 660 C ARG A 43 -1.201 -0.008 7.884 1.00 0.52 C ATOM 661 O ARG A 43 -1.075 -0.072 6.663 1.00 0.50 O ATOM 662 CB ARG A 43 -3.419 -1.125 8.043 1.00 0.67 C ATOM 663 CG ARG A 43 -4.586 -1.450 8.968 1.00 0.86 C ATOM 664 CD ARG A 43 -4.139 -2.051 10.290 1.00 1.27 C ATOM 665 NE ARG A 43 -3.364 -1.122 11.109 1.00 1.59 N ATOM 666 CZ ARG A 43 -2.375 -1.499 11.917 1.00 2.26 C ATOM 667 NH1 ARG A 43 -2.047 -2.781 12.020 1.00 2.74 N ATOM 668 NH2 ARG A 43 -1.718 -0.593 12.631 1.00 3.01 N ATOM 0 H ARG A 43 -3.111 1.580 7.233 1.00 0.58 H new ATOM 0 HA ARG A 43 -2.472 -0.076 9.601 1.00 0.58 H new ATOM 0 HB2 ARG A 43 -3.808 -0.891 7.052 1.00 0.67 H new ATOM 0 HB3 ARG A 43 -2.793 -2.011 7.939 1.00 0.67 H new ATOM 0 HG2 ARG A 43 -5.155 -0.540 9.161 1.00 0.86 H new ATOM 0 HG3 ARG A 43 -5.258 -2.146 8.466 1.00 0.86 H new ATOM 0 HD2 ARG A 43 -5.016 -2.375 10.850 1.00 1.27 H new ATOM 0 HD3 ARG A 43 -3.540 -2.940 10.094 1.00 1.27 H new ATOM 0 HE ARG A 43 -3.593 -0.129 11.059 1.00 1.59 H new ATOM 0 HH11 ARG A 43 -2.553 -3.482 11.479 1.00 2.74 H new ATOM 0 HH12 ARG A 43 -1.289 -3.065 12.640 1.00 2.74 H new ATOM 0 HH21 ARG A 43 -1.971 0.393 12.561 1.00 3.01 H new ATOM 0 HH22 ARG A 43 -0.961 -0.883 13.250 1.00 3.01 H new ATOM 682 N ILE A 44 -0.189 0.062 8.711 1.00 0.52 N ATOM 683 CA ILE A 44 1.142 0.251 8.214 1.00 0.51 C ATOM 684 C ILE A 44 1.981 -0.980 8.445 1.00 0.58 C ATOM 685 O ILE A 44 1.949 -1.588 9.514 1.00 0.66 O ATOM 686 CB ILE A 44 1.827 1.483 8.840 1.00 0.53 C ATOM 687 CG1 ILE A 44 0.982 2.736 8.623 1.00 0.56 C ATOM 688 CG2 ILE A 44 3.190 1.691 8.216 1.00 0.59 C ATOM 689 CD1 ILE A 44 -0.107 2.950 9.655 1.00 0.61 C ATOM 0 H ILE A 44 -0.264 -0.009 9.726 1.00 0.52 H new ATOM 0 HA ILE A 44 1.057 0.428 7.142 1.00 0.51 H new ATOM 0 HB ILE A 44 1.935 1.305 9.910 1.00 0.53 H new ATOM 0 HG12 ILE A 44 1.639 3.606 8.622 1.00 0.56 H new ATOM 0 HG13 ILE A 44 0.523 2.682 7.636 1.00 0.56 H new ATOM 0 HG21 ILE A 44 3.666 2.563 8.664 1.00 0.59 H new ATOM 0 HG22 ILE A 44 3.808 0.810 8.390 1.00 0.59 H new ATOM 0 HG23 ILE A 44 3.079 1.850 7.143 1.00 0.59 H new ATOM 0 HD11 ILE A 44 -0.655 3.863 9.421 1.00 0.61 H new ATOM 0 HD12 ILE A 44 -0.792 2.102 9.643 1.00 0.61 H new ATOM 0 HD13 ILE A 44 0.342 3.040 10.644 1.00 0.61 H new ATOM 701 N ILE A 45 2.701 -1.349 7.417 1.00 0.61 N ATOM 702 CA ILE A 45 3.602 -2.473 7.470 1.00 0.74 C ATOM 703 C ILE A 45 5.022 -1.981 7.618 1.00 0.77 C ATOM 704 O ILE A 45 5.318 -0.834 7.297 1.00 0.79 O ATOM 705 CB ILE A 45 3.495 -3.304 6.215 1.00 0.95 C ATOM 706 CG1 ILE A 45 2.109 -3.775 6.056 1.00 1.11 C ATOM 707 CG2 ILE A 45 4.446 -4.491 6.198 1.00 1.62 C ATOM 708 CD1 ILE A 45 1.649 -3.605 4.648 1.00 1.20 C ATOM 0 H ILE A 45 2.679 -0.876 6.514 1.00 0.61 H new ATOM 0 HA ILE A 45 3.330 -3.090 8.327 1.00 0.74 H new ATOM 0 HB ILE A 45 3.782 -2.662 5.382 1.00 0.95 H new ATOM 0 HG12 ILE A 45 2.042 -4.825 6.341 1.00 1.11 H new ATOM 0 HG13 ILE A 45 1.453 -3.221 6.727 1.00 1.11 H new ATOM 0 HG21 ILE A 45 4.318 -5.046 5.269 1.00 1.62 H new ATOM 0 HG22 ILE A 45 5.474 -4.135 6.270 1.00 1.62 H new ATOM 0 HG23 ILE A 45 4.229 -5.144 7.044 1.00 1.62 H new ATOM 0 HD11 ILE A 45 0.623 -3.960 4.555 1.00 1.20 H new ATOM 0 HD12 ILE A 45 1.695 -2.551 4.375 1.00 1.20 H new ATOM 0 HD13 ILE A 45 2.293 -4.180 3.983 1.00 1.20 H new ATOM 720 N LYS A 46 5.887 -2.832 8.101 1.00 0.90 N ATOM 721 CA LYS A 46 7.300 -2.529 8.120 1.00 0.97 C ATOM 722 C LYS A 46 8.107 -3.796 7.931 1.00 1.10 C ATOM 723 O LYS A 46 7.715 -4.863 8.401 1.00 1.20 O ATOM 724 CB LYS A 46 7.699 -1.804 9.406 1.00 1.10 C ATOM 725 CG LYS A 46 7.061 -2.369 10.666 1.00 1.35 C ATOM 726 CD LYS A 46 7.565 -1.661 11.917 1.00 1.85 C ATOM 727 CE LYS A 46 7.544 -0.143 11.768 1.00 2.11 C ATOM 728 NZ LYS A 46 6.186 0.389 11.480 1.00 2.65 N ATOM 0 H LYS A 46 5.641 -3.743 8.488 1.00 0.90 H new ATOM 0 HA LYS A 46 7.517 -1.854 7.292 1.00 0.97 H new ATOM 0 HB2 LYS A 46 8.783 -1.846 9.512 1.00 1.10 H new ATOM 0 HB3 LYS A 46 7.428 -0.752 9.316 1.00 1.10 H new ATOM 0 HG2 LYS A 46 5.978 -2.268 10.602 1.00 1.35 H new ATOM 0 HG3 LYS A 46 7.279 -3.435 10.738 1.00 1.35 H new ATOM 0 HD2 LYS A 46 6.949 -1.949 12.769 1.00 1.85 H new ATOM 0 HD3 LYS A 46 8.582 -1.989 12.133 1.00 1.85 H new ATOM 0 HE2 LYS A 46 7.921 0.313 12.684 1.00 2.11 H new ATOM 0 HE3 LYS A 46 8.221 0.148 10.965 1.00 2.11 H new ATOM 0 HZ1 LYS A 46 6.254 1.394 11.222 1.00 2.65 H new ATOM 0 HZ2 LYS A 46 5.765 -0.143 10.692 1.00 2.65 H new ATOM 0 HZ3 LYS A 46 5.587 0.288 12.324 1.00 2.65 H new ATOM 742 N PHE A 47 9.241 -3.659 7.269 1.00 1.20 N ATOM 743 CA PHE A 47 10.048 -4.781 6.844 1.00 1.41 C ATOM 744 C PHE A 47 11.395 -4.248 6.451 1.00 1.59 C ATOM 745 O PHE A 47 11.518 -3.419 5.547 1.00 1.68 O ATOM 746 CB PHE A 47 9.425 -5.557 5.673 1.00 1.50 C ATOM 747 CG PHE A 47 8.468 -6.643 6.091 1.00 1.87 C ATOM 748 CD1 PHE A 47 7.309 -6.889 5.363 1.00 2.53 C ATOM 749 CD2 PHE A 47 8.723 -7.414 7.212 1.00 2.17 C ATOM 750 CE1 PHE A 47 6.432 -7.883 5.744 1.00 3.14 C ATOM 751 CE2 PHE A 47 7.843 -8.410 7.597 1.00 2.69 C ATOM 752 CZ PHE A 47 6.705 -8.651 6.862 1.00 3.10 C ATOM 0 H PHE A 47 9.630 -2.752 7.009 1.00 1.20 H new ATOM 0 HA PHE A 47 10.123 -5.489 7.669 1.00 1.41 H new ATOM 0 HB2 PHE A 47 8.900 -4.855 5.025 1.00 1.50 H new ATOM 0 HB3 PHE A 47 10.224 -6.001 5.080 1.00 1.50 H new ATOM 0 HD1 PHE A 47 7.093 -6.294 4.488 1.00 2.53 H new ATOM 0 HD2 PHE A 47 9.617 -7.237 7.791 1.00 2.17 H new ATOM 0 HE1 PHE A 47 5.534 -8.061 5.171 1.00 3.14 H new ATOM 0 HE2 PHE A 47 8.050 -9.000 8.477 1.00 2.69 H new ATOM 0 HZ PHE A 47 6.027 -9.438 7.157 1.00 3.10 H new ATOM 762 N LYS A 48 12.391 -4.691 7.159 1.00 1.83 N ATOM 763 CA LYS A 48 13.711 -4.146 7.020 1.00 2.13 C ATOM 764 C LYS A 48 14.654 -5.229 6.512 1.00 2.50 C ATOM 765 O LYS A 48 15.869 -5.049 6.418 1.00 3.01 O ATOM 766 CB LYS A 48 14.118 -3.601 8.375 1.00 2.46 C ATOM 767 CG LYS A 48 14.255 -4.661 9.456 1.00 3.10 C ATOM 768 CD LYS A 48 14.438 -4.030 10.825 1.00 3.81 C ATOM 769 CE LYS A 48 14.366 -5.067 11.933 1.00 4.36 C ATOM 770 NZ LYS A 48 14.425 -4.441 13.280 1.00 4.90 N ATOM 0 H LYS A 48 12.313 -5.439 7.848 1.00 1.83 H new ATOM 0 HA LYS A 48 13.747 -3.336 6.292 1.00 2.13 H new ATOM 0 HB2 LYS A 48 15.068 -3.077 8.273 1.00 2.46 H new ATOM 0 HB3 LYS A 48 13.381 -2.865 8.695 1.00 2.46 H new ATOM 0 HG2 LYS A 48 13.369 -5.296 9.461 1.00 3.10 H new ATOM 0 HG3 LYS A 48 15.106 -5.304 9.232 1.00 3.10 H new ATOM 0 HD2 LYS A 48 15.400 -3.520 10.865 1.00 3.81 H new ATOM 0 HD3 LYS A 48 13.669 -3.274 10.983 1.00 3.81 H new ATOM 0 HE2 LYS A 48 13.442 -5.637 11.837 1.00 4.36 H new ATOM 0 HE3 LYS A 48 15.189 -5.773 11.824 1.00 4.36 H new ATOM 0 HZ1 LYS A 48 14.373 -5.181 14.009 1.00 4.90 H new ATOM 0 HZ2 LYS A 48 15.318 -3.918 13.381 1.00 4.90 H new ATOM 0 HZ3 LYS A 48 13.625 -3.786 13.394 1.00 4.90 H new ATOM 879 N ARG A 56 7.554 -10.836 -0.643 1.00 3.37 N ATOM 880 CA ARG A 56 7.025 -9.908 -1.577 1.00 2.70 C ATOM 881 C ARG A 56 5.899 -8.990 -1.022 1.00 2.24 C ATOM 882 O ARG A 56 5.101 -9.436 -0.208 1.00 2.47 O ATOM 883 CB ARG A 56 6.554 -10.830 -2.672 1.00 3.43 C ATOM 884 CG ARG A 56 5.448 -11.793 -2.270 1.00 4.15 C ATOM 885 CD ARG A 56 5.038 -12.676 -3.439 1.00 4.75 C ATOM 886 NE ARG A 56 6.163 -13.447 -3.966 1.00 5.53 N ATOM 887 CZ ARG A 56 6.194 -13.992 -5.182 1.00 6.18 C ATOM 888 NH1 ARG A 56 5.173 -13.829 -6.016 1.00 6.21 N ATOM 889 NH2 ARG A 56 7.254 -14.689 -5.566 1.00 7.08 N ATOM 0 HA ARG A 56 7.756 -9.164 -1.895 1.00 2.70 H new ATOM 0 HB2 ARG A 56 6.203 -10.226 -3.509 1.00 3.43 H new ATOM 0 HB3 ARG A 56 7.406 -11.408 -3.031 1.00 3.43 H new ATOM 0 HG2 ARG A 56 5.787 -12.415 -1.442 1.00 4.15 H new ATOM 0 HG3 ARG A 56 4.584 -11.231 -1.914 1.00 4.15 H new ATOM 0 HD2 ARG A 56 4.250 -13.358 -3.119 1.00 4.75 H new ATOM 0 HD3 ARG A 56 4.621 -12.056 -4.232 1.00 4.75 H new ATOM 0 HE ARG A 56 6.976 -13.576 -3.364 1.00 5.53 H new ATOM 0 HH11 ARG A 56 4.360 -13.285 -5.727 1.00 6.21 H new ATOM 0 HH12 ARG A 56 5.202 -14.248 -6.945 1.00 6.21 H new ATOM 0 HH21 ARG A 56 8.044 -14.807 -4.931 1.00 7.08 H new ATOM 0 HH22 ARG A 56 7.280 -15.107 -6.496 1.00 7.08 H new ATOM 903 N TRP A 57 5.833 -7.689 -1.483 1.00 1.83 N ATOM 904 CA TRP A 57 4.684 -6.803 -1.165 1.00 1.49 C ATOM 905 C TRP A 57 4.130 -6.010 -2.367 1.00 1.19 C ATOM 906 O TRP A 57 4.685 -4.990 -2.770 1.00 1.43 O ATOM 907 CB TRP A 57 4.978 -5.767 -0.080 1.00 1.69 C ATOM 908 CG TRP A 57 6.336 -5.829 0.558 1.00 1.83 C ATOM 909 CD1 TRP A 57 6.908 -6.911 1.113 1.00 1.56 C ATOM 910 CD2 TRP A 57 7.273 -4.750 0.751 1.00 2.78 C ATOM 911 NE1 TRP A 57 8.144 -6.611 1.599 1.00 1.85 N ATOM 912 CE2 TRP A 57 8.392 -5.290 1.408 1.00 2.70 C ATOM 913 CE3 TRP A 57 7.286 -3.393 0.430 1.00 3.91 C ATOM 914 CZ2 TRP A 57 9.503 -4.530 1.754 1.00 3.65 C ATOM 915 CZ3 TRP A 57 8.390 -2.634 0.782 1.00 4.90 C ATOM 916 CH2 TRP A 57 9.484 -3.205 1.436 1.00 4.75 C ATOM 0 H TRP A 57 6.552 -7.254 -2.061 1.00 1.83 H new ATOM 0 HA TRP A 57 3.946 -7.527 -0.820 1.00 1.49 H new ATOM 0 HB2 TRP A 57 4.850 -4.775 -0.513 1.00 1.69 H new ATOM 0 HB3 TRP A 57 4.228 -5.872 0.704 1.00 1.69 H new ATOM 0 HD1 TRP A 57 6.449 -7.887 1.166 1.00 1.56 H new ATOM 0 HE1 TRP A 57 8.783 -7.274 2.037 1.00 1.85 H new ATOM 0 HE3 TRP A 57 6.450 -2.942 -0.084 1.00 3.91 H new ATOM 0 HZ2 TRP A 57 10.350 -4.973 2.256 1.00 3.65 H new ATOM 0 HZ3 TRP A 57 8.405 -1.580 0.546 1.00 4.90 H new ATOM 0 HH2 TRP A 57 10.330 -2.585 1.694 1.00 4.75 H new ATOM 927 N ASN A 58 3.042 -6.511 -2.928 1.00 0.91 N ATOM 928 CA ASN A 58 2.087 -5.704 -3.688 1.00 0.71 C ATOM 929 C ASN A 58 0.749 -5.883 -3.004 1.00 0.59 C ATOM 930 O ASN A 58 0.322 -7.017 -2.798 1.00 0.71 O ATOM 931 CB ASN A 58 2.008 -6.154 -5.156 1.00 0.74 C ATOM 932 CG ASN A 58 0.749 -5.710 -5.885 1.00 1.23 C ATOM 933 OD1 ASN A 58 0.167 -4.675 -5.592 1.00 2.05 O ATOM 934 ND2 ASN A 58 0.329 -6.499 -6.861 1.00 1.91 N ATOM 0 H ASN A 58 2.790 -7.498 -2.871 1.00 0.91 H new ATOM 0 HA ASN A 58 2.394 -4.658 -3.706 1.00 0.71 H new ATOM 0 HB2 ASN A 58 2.877 -5.767 -5.689 1.00 0.74 H new ATOM 0 HB3 ASN A 58 2.070 -7.242 -5.193 1.00 0.74 H new ATOM 0 HD21 ASN A 58 -0.504 -6.251 -7.395 1.00 1.91 H new ATOM 0 HD22 ASN A 58 0.838 -7.355 -7.079 1.00 1.91 H new ATOM 941 N CYS A 59 0.089 -4.800 -2.643 1.00 0.55 N ATOM 942 CA CYS A 59 -1.049 -4.904 -1.751 1.00 0.50 C ATOM 943 C CYS A 59 -2.327 -5.034 -2.551 1.00 0.44 C ATOM 944 O CYS A 59 -2.581 -4.272 -3.476 1.00 0.56 O ATOM 945 CB CYS A 59 -1.152 -3.700 -0.812 1.00 0.60 C ATOM 946 SG CYS A 59 0.328 -3.324 0.216 1.00 0.76 S ATOM 0 H CYS A 59 0.316 -3.853 -2.947 1.00 0.55 H new ATOM 0 HA CYS A 59 -0.903 -5.795 -1.140 1.00 0.50 H new ATOM 0 HB2 CYS A 59 -1.382 -2.819 -1.412 1.00 0.60 H new ATOM 0 HB3 CYS A 59 -1.998 -3.861 -0.144 1.00 0.60 H new ATOM 951 N LEU A 60 -3.133 -6.005 -2.173 1.00 0.36 N ATOM 952 CA LEU A 60 -4.306 -6.355 -2.921 1.00 0.34 C ATOM 953 C LEU A 60 -5.494 -6.061 -2.055 1.00 0.29 C ATOM 954 O LEU A 60 -5.599 -6.581 -0.953 1.00 0.32 O ATOM 955 CB LEU A 60 -4.276 -7.840 -3.287 1.00 0.44 C ATOM 956 CG LEU A 60 -3.006 -8.318 -3.994 1.00 1.27 C ATOM 957 CD1 LEU A 60 -3.004 -9.832 -4.110 1.00 1.90 C ATOM 958 CD2 LEU A 60 -2.882 -7.682 -5.368 1.00 1.85 C ATOM 0 H LEU A 60 -2.986 -6.570 -1.336 1.00 0.36 H new ATOM 0 HA LEU A 60 -4.354 -5.783 -3.848 1.00 0.34 H new ATOM 0 HB2 LEU A 60 -4.405 -8.424 -2.376 1.00 0.44 H new ATOM 0 HB3 LEU A 60 -5.131 -8.056 -3.928 1.00 0.44 H new ATOM 0 HG LEU A 60 -2.147 -8.012 -3.397 1.00 1.27 H new ATOM 0 HD11 LEU A 60 -2.094 -10.157 -4.615 1.00 1.90 H new ATOM 0 HD12 LEU A 60 -3.044 -10.273 -3.114 1.00 1.90 H new ATOM 0 HD13 LEU A 60 -3.873 -10.154 -4.684 1.00 1.90 H new ATOM 0 HD21 LEU A 60 -1.972 -8.036 -5.852 1.00 1.85 H new ATOM 0 HD22 LEU A 60 -3.746 -7.955 -5.975 1.00 1.85 H new ATOM 0 HD23 LEU A 60 -2.839 -6.598 -5.265 1.00 1.85 H new ATOM 970 N PHE A 61 -6.387 -5.250 -2.541 1.00 0.29 N ATOM 971 CA PHE A 61 -7.486 -4.809 -1.725 1.00 0.28 C ATOM 972 C PHE A 61 -8.704 -5.652 -2.012 1.00 0.37 C ATOM 973 O PHE A 61 -9.161 -5.695 -3.138 1.00 0.48 O ATOM 974 CB PHE A 61 -7.856 -3.367 -2.034 1.00 0.32 C ATOM 975 CG PHE A 61 -6.971 -2.304 -1.471 1.00 0.30 C ATOM 976 CD1 PHE A 61 -5.622 -2.494 -1.212 1.00 0.59 C ATOM 977 CD2 PHE A 61 -7.518 -1.071 -1.251 1.00 0.54 C ATOM 978 CE1 PHE A 61 -4.851 -1.458 -0.749 1.00 0.63 C ATOM 979 CE2 PHE A 61 -6.767 -0.035 -0.790 1.00 0.57 C ATOM 980 CZ PHE A 61 -5.421 -0.214 -0.540 1.00 0.37 C ATOM 0 H PHE A 61 -6.379 -4.881 -3.492 1.00 0.29 H new ATOM 0 HA PHE A 61 -7.176 -4.899 -0.684 1.00 0.28 H new ATOM 0 HB2 PHE A 61 -7.881 -3.248 -3.117 1.00 0.32 H new ATOM 0 HB3 PHE A 61 -8.869 -3.192 -1.671 1.00 0.32 H new ATOM 0 HD1 PHE A 61 -5.176 -3.464 -1.376 1.00 0.59 H new ATOM 0 HD2 PHE A 61 -8.569 -0.916 -1.447 1.00 0.54 H new ATOM 0 HE1 PHE A 61 -3.801 -1.613 -0.548 1.00 0.63 H new ATOM 0 HE2 PHE A 61 -7.224 0.929 -0.619 1.00 0.57 H new ATOM 0 HZ PHE A 61 -4.818 0.609 -0.185 1.00 0.37 H new ATOM 990 N ARG A 62 -9.225 -6.300 -0.995 1.00 0.47 N ATOM 991 CA ARG A 62 -10.394 -7.147 -1.151 1.00 0.66 C ATOM 992 C ARG A 62 -11.373 -6.857 -0.017 1.00 0.89 C ATOM 993 O ARG A 62 -10.957 -6.484 1.082 1.00 1.05 O ATOM 994 CB ARG A 62 -9.980 -8.625 -1.138 1.00 0.84 C ATOM 995 CG ARG A 62 -9.363 -9.080 0.177 1.00 1.49 C ATOM 996 CD ARG A 62 -8.704 -10.447 0.053 1.00 1.88 C ATOM 997 NE ARG A 62 -9.623 -11.473 -0.441 1.00 2.29 N ATOM 998 CZ ARG A 62 -9.544 -12.767 -0.118 1.00 2.86 C ATOM 999 NH1 ARG A 62 -8.603 -13.190 0.715 1.00 3.11 N ATOM 1000 NH2 ARG A 62 -10.404 -13.638 -0.633 1.00 3.63 N ATOM 0 H ARG A 62 -8.858 -6.259 -0.044 1.00 0.47 H new ATOM 0 HA ARG A 62 -10.876 -6.936 -2.106 1.00 0.66 H new ATOM 0 HB2 ARG A 62 -10.855 -9.239 -1.349 1.00 0.84 H new ATOM 0 HB3 ARG A 62 -9.266 -8.800 -1.943 1.00 0.84 H new ATOM 0 HG2 ARG A 62 -8.623 -8.349 0.503 1.00 1.49 H new ATOM 0 HG3 ARG A 62 -10.135 -9.117 0.946 1.00 1.49 H new ATOM 0 HD2 ARG A 62 -7.850 -10.375 -0.621 1.00 1.88 H new ATOM 0 HD3 ARG A 62 -8.317 -10.749 1.026 1.00 1.88 H new ATOM 0 HE ARG A 62 -10.370 -11.182 -1.071 1.00 2.29 H new ATOM 0 HH11 ARG A 62 -7.937 -12.527 1.111 1.00 3.11 H new ATOM 0 HH12 ARG A 62 -8.545 -14.179 0.960 1.00 3.11 H new ATOM 0 HH21 ARG A 62 -11.128 -13.320 -1.277 1.00 3.63 H new ATOM 0 HH22 ARG A 62 -10.341 -14.625 -0.384 1.00 3.63 H new ATOM 1014 N GLN A 63 -12.663 -7.018 -0.268 1.00 1.13 N ATOM 1015 CA GLN A 63 -13.665 -6.753 0.760 1.00 1.48 C ATOM 1016 C GLN A 63 -13.984 -8.026 1.544 1.00 2.09 C ATOM 1017 O GLN A 63 -15.130 -8.268 1.929 1.00 2.68 O ATOM 1018 CB GLN A 63 -14.942 -6.192 0.130 1.00 1.69 C ATOM 1019 CG GLN A 63 -15.816 -5.425 1.106 1.00 2.15 C ATOM 1020 CD GLN A 63 -15.147 -4.160 1.604 1.00 2.52 C ATOM 1021 OE1 GLN A 63 -14.384 -3.518 0.879 1.00 3.00 O ATOM 1022 NE2 GLN A 63 -15.408 -3.806 2.849 1.00 3.03 N ATOM 0 H GLN A 63 -13.041 -7.327 -1.164 1.00 1.13 H new ATOM 0 HA GLN A 63 -13.258 -6.013 1.449 1.00 1.48 H new ATOM 0 HB2 GLN A 63 -14.671 -5.534 -0.696 1.00 1.69 H new ATOM 0 HB3 GLN A 63 -15.520 -7.014 -0.293 1.00 1.69 H new ATOM 0 HG2 GLN A 63 -16.759 -5.169 0.622 1.00 2.15 H new ATOM 0 HG3 GLN A 63 -16.057 -6.065 1.955 1.00 2.15 H new ATOM 0 HE21 GLN A 63 -16.046 -4.365 3.415 1.00 3.03 H new ATOM 0 HE22 GLN A 63 -14.972 -2.973 3.244 1.00 3.03 H new ATOM 1031 N GLY A 64 -12.966 -8.844 1.778 1.00 2.55 N ATOM 1032 CA GLY A 64 -13.182 -10.097 2.476 1.00 3.28 C ATOM 1033 C GLY A 64 -13.631 -11.190 1.538 1.00 3.41 C ATOM 1034 O GLY A 64 -14.175 -12.211 1.960 1.00 3.88 O ATOM 0 H GLY A 64 -12.001 -8.665 1.499 1.00 2.55 H new ATOM 0 HA2 GLY A 64 -12.260 -10.400 2.973 1.00 3.28 H new ATOM 0 HA3 GLY A 64 -13.932 -9.955 3.254 1.00 3.28 H new ATOM 1038 N ILE A 65 -13.389 -10.969 0.265 1.00 3.49 N ATOM 1039 CA ILE A 65 -13.915 -11.817 -0.782 1.00 3.94 C ATOM 1040 C ILE A 65 -12.936 -11.809 -1.965 1.00 4.01 C ATOM 1041 O ILE A 65 -11.902 -11.146 -1.884 1.00 4.32 O ATOM 1042 CB ILE A 65 -15.336 -11.321 -1.148 1.00 4.22 C ATOM 1043 CG1 ILE A 65 -15.924 -11.977 -2.404 1.00 4.91 C ATOM 1044 CG2 ILE A 65 -15.306 -9.826 -1.264 1.00 3.92 C ATOM 1045 CD1 ILE A 65 -16.240 -13.450 -2.233 1.00 5.57 C ATOM 0 H ILE A 65 -12.820 -10.194 -0.075 1.00 3.49 H new ATOM 0 HA ILE A 65 -14.010 -12.854 -0.460 1.00 3.94 H new ATOM 0 HB ILE A 65 -16.009 -11.624 -0.346 1.00 4.22 H new ATOM 0 HG12 ILE A 65 -16.835 -11.450 -2.685 1.00 4.91 H new ATOM 0 HG13 ILE A 65 -15.220 -11.859 -3.228 1.00 4.91 H new ATOM 0 HG21 ILE A 65 -16.300 -9.461 -1.522 1.00 3.92 H new ATOM 0 HG22 ILE A 65 -14.996 -9.393 -0.313 1.00 3.92 H new ATOM 0 HG23 ILE A 65 -14.600 -9.536 -2.042 1.00 3.92 H new ATOM 0 HD11 ILE A 65 -16.652 -13.844 -3.162 1.00 5.57 H new ATOM 0 HD12 ILE A 65 -15.328 -13.991 -1.982 1.00 5.57 H new ATOM 0 HD13 ILE A 65 -16.968 -13.575 -1.432 1.00 5.57 H new ATOM 1057 N ASN A 66 -13.221 -12.577 -3.012 1.00 4.06 N ATOM 1058 CA ASN A 66 -12.349 -12.693 -4.184 1.00 4.27 C ATOM 1059 C ASN A 66 -12.190 -11.366 -4.940 1.00 4.09 C ATOM 1060 O ASN A 66 -12.223 -10.294 -4.347 1.00 4.26 O ATOM 1061 CB ASN A 66 -12.886 -13.777 -5.123 1.00 4.76 C ATOM 1062 CG ASN A 66 -12.829 -15.158 -4.504 1.00 5.45 C ATOM 1063 OD1 ASN A 66 -11.946 -15.452 -3.699 1.00 5.72 O ATOM 1064 ND2 ASN A 66 -13.769 -16.010 -4.870 1.00 6.08 N ATOM 0 H ASN A 66 -14.068 -13.141 -3.075 1.00 4.06 H new ATOM 0 HA ASN A 66 -11.358 -12.970 -3.824 1.00 4.27 H new ATOM 0 HB2 ASN A 66 -13.917 -13.544 -5.390 1.00 4.76 H new ATOM 0 HB3 ASN A 66 -12.308 -13.772 -6.047 1.00 4.76 H new ATOM 0 HD21 ASN A 66 -13.781 -16.953 -4.482 1.00 6.08 H new ATOM 0 HD22 ASN A 66 -14.483 -15.725 -5.541 1.00 6.08 H new ATOM 1071 N MET A 67 -11.985 -11.451 -6.252 1.00 4.09 N ATOM 1072 CA MET A 67 -11.732 -10.276 -7.097 1.00 4.13 C ATOM 1073 C MET A 67 -12.892 -9.265 -7.104 1.00 3.60 C ATOM 1074 O MET A 67 -12.834 -8.255 -7.805 1.00 3.77 O ATOM 1075 CB MET A 67 -11.412 -10.713 -8.529 1.00 4.54 C ATOM 1076 CG MET A 67 -10.067 -11.414 -8.673 1.00 5.19 C ATOM 1077 SD MET A 67 -10.011 -13.036 -7.877 1.00 6.00 S ATOM 1078 CE MET A 67 -11.125 -13.972 -8.922 1.00 6.30 C ATOM 0 H MET A 67 -11.989 -12.333 -6.764 1.00 4.09 H new ATOM 0 HA MET A 67 -10.874 -9.764 -6.661 1.00 4.13 H new ATOM 0 HB2 MET A 67 -12.199 -11.381 -8.879 1.00 4.54 H new ATOM 0 HB3 MET A 67 -11.426 -9.837 -9.178 1.00 4.54 H new ATOM 0 HG2 MET A 67 -9.838 -11.530 -9.732 1.00 5.19 H new ATOM 0 HG3 MET A 67 -9.289 -10.781 -8.246 1.00 5.19 H new ATOM 0 HE1 MET A 67 -10.970 -15.038 -8.757 1.00 6.30 H new ATOM 0 HE2 MET A 67 -12.156 -13.713 -8.679 1.00 6.30 H new ATOM 0 HE3 MET A 67 -10.929 -13.735 -9.968 1.00 6.30 H new ATOM 1088 N LYS A 68 -13.942 -9.533 -6.346 1.00 3.30 N ATOM 1089 CA LYS A 68 -15.003 -8.556 -6.161 1.00 3.12 C ATOM 1090 C LYS A 68 -14.604 -7.577 -5.062 1.00 2.78 C ATOM 1091 O LYS A 68 -14.122 -7.991 -4.005 1.00 3.25 O ATOM 1092 CB LYS A 68 -16.334 -9.232 -5.819 1.00 3.71 C ATOM 1093 CG LYS A 68 -16.992 -9.925 -7.007 1.00 4.30 C ATOM 1094 CD LYS A 68 -16.319 -11.241 -7.363 1.00 4.85 C ATOM 1095 CE LYS A 68 -16.675 -12.338 -6.373 1.00 5.37 C ATOM 1096 NZ LYS A 68 -18.133 -12.631 -6.365 1.00 5.81 N ATOM 0 H LYS A 68 -14.083 -10.414 -5.851 1.00 3.30 H new ATOM 0 HA LYS A 68 -15.143 -8.016 -7.097 1.00 3.12 H new ATOM 0 HB2 LYS A 68 -16.167 -9.964 -5.029 1.00 3.71 H new ATOM 0 HB3 LYS A 68 -17.020 -8.484 -5.421 1.00 3.71 H new ATOM 0 HG2 LYS A 68 -18.042 -10.108 -6.780 1.00 4.30 H new ATOM 0 HG3 LYS A 68 -16.964 -9.261 -7.871 1.00 4.30 H new ATOM 0 HD2 LYS A 68 -16.619 -11.544 -8.366 1.00 4.85 H new ATOM 0 HD3 LYS A 68 -15.238 -11.104 -7.382 1.00 4.85 H new ATOM 0 HE2 LYS A 68 -16.125 -13.245 -6.624 1.00 5.37 H new ATOM 0 HE3 LYS A 68 -16.360 -12.040 -5.373 1.00 5.37 H new ATOM 0 HZ1 LYS A 68 -18.293 -13.587 -5.988 1.00 5.81 H new ATOM 0 HZ2 LYS A 68 -18.623 -11.937 -5.766 1.00 5.81 H new ATOM 0 HZ3 LYS A 68 -18.504 -12.575 -7.335 1.00 5.81 H new ATOM 1110 N PHE A 69 -14.811 -6.285 -5.320 1.00 2.52 N ATOM 1111 CA PHE A 69 -14.336 -5.225 -4.426 1.00 2.44 C ATOM 1112 C PHE A 69 -12.817 -5.310 -4.277 1.00 2.04 C ATOM 1113 O PHE A 69 -12.281 -5.263 -3.169 1.00 2.83 O ATOM 1114 CB PHE A 69 -15.004 -5.314 -3.051 1.00 3.01 C ATOM 1115 CG PHE A 69 -16.487 -5.072 -3.064 1.00 3.88 C ATOM 1116 CD1 PHE A 69 -16.996 -3.813 -2.791 1.00 4.80 C ATOM 1117 CD2 PHE A 69 -17.371 -6.101 -3.346 1.00 4.14 C ATOM 1118 CE1 PHE A 69 -18.358 -3.585 -2.799 1.00 5.84 C ATOM 1119 CE2 PHE A 69 -18.734 -5.879 -3.356 1.00 5.20 C ATOM 1120 CZ PHE A 69 -19.228 -4.619 -3.083 1.00 6.01 C ATOM 0 H PHE A 69 -15.307 -5.945 -6.144 1.00 2.52 H new ATOM 0 HA PHE A 69 -14.604 -4.265 -4.868 1.00 2.44 H new ATOM 0 HB2 PHE A 69 -14.813 -6.302 -2.631 1.00 3.01 H new ATOM 0 HB3 PHE A 69 -14.536 -4.589 -2.386 1.00 3.01 H new ATOM 0 HD1 PHE A 69 -16.320 -3.000 -2.569 1.00 4.80 H new ATOM 0 HD2 PHE A 69 -16.990 -7.088 -3.561 1.00 4.14 H new ATOM 0 HE1 PHE A 69 -18.742 -2.599 -2.583 1.00 5.84 H new ATOM 0 HE2 PHE A 69 -19.412 -6.690 -3.577 1.00 5.20 H new ATOM 0 HZ PHE A 69 -20.293 -4.442 -3.092 1.00 6.01 H new ATOM 1130 N PHE A 70 -12.135 -5.429 -5.410 1.00 1.22 N ATOM 1131 CA PHE A 70 -10.713 -5.732 -5.433 1.00 0.92 C ATOM 1132 C PHE A 70 -9.905 -4.641 -6.135 1.00 0.79 C ATOM 1133 O PHE A 70 -10.428 -3.890 -6.958 1.00 1.19 O ATOM 1134 CB PHE A 70 -10.524 -7.050 -6.159 1.00 1.37 C ATOM 1135 CG PHE A 70 -9.238 -7.726 -5.851 1.00 1.92 C ATOM 1136 CD1 PHE A 70 -8.930 -8.151 -4.575 1.00 2.15 C ATOM 1137 CD2 PHE A 70 -8.336 -7.933 -6.858 1.00 2.74 C ATOM 1138 CE1 PHE A 70 -7.736 -8.774 -4.319 1.00 2.96 C ATOM 1139 CE2 PHE A 70 -7.151 -8.552 -6.622 1.00 3.59 C ATOM 1140 CZ PHE A 70 -6.869 -8.983 -5.215 1.00 3.63 C ATOM 0 H PHE A 70 -12.552 -5.318 -6.334 1.00 1.22 H new ATOM 0 HA PHE A 70 -10.352 -5.791 -4.406 1.00 0.92 H new ATOM 0 HB2 PHE A 70 -11.346 -7.718 -5.900 1.00 1.37 H new ATOM 0 HB3 PHE A 70 -10.583 -6.874 -7.233 1.00 1.37 H new ATOM 0 HD1 PHE A 70 -9.635 -7.992 -3.772 1.00 2.15 H new ATOM 0 HD2 PHE A 70 -8.570 -7.598 -7.858 1.00 2.74 H new ATOM 0 HE1 PHE A 70 -7.527 -9.100 -3.311 1.00 2.96 H new ATOM 0 HE2 PHE A 70 -6.440 -8.727 -7.416 1.00 3.59 H new ATOM 0 HZ PHE A 70 -5.935 -9.467 -4.969 1.00 3.63 H new ATOM 1150 N THR A 71 -8.628 -4.571 -5.790 1.00 0.58 N ATOM 1151 CA THR A 71 -7.661 -3.732 -6.499 1.00 0.49 C ATOM 1152 C THR A 71 -6.248 -4.134 -6.118 1.00 0.40 C ATOM 1153 O THR A 71 -6.043 -4.801 -5.110 1.00 0.49 O ATOM 1154 CB THR A 71 -7.873 -2.210 -6.286 1.00 0.56 C ATOM 1155 OG1 THR A 71 -7.600 -1.532 -7.516 1.00 0.81 O ATOM 1156 CG2 THR A 71 -6.975 -1.612 -5.198 1.00 0.48 C ATOM 0 H THR A 71 -8.228 -5.093 -5.010 1.00 0.58 H new ATOM 0 HA THR A 71 -7.824 -3.906 -7.563 1.00 0.49 H new ATOM 0 HB THR A 71 -8.905 -2.078 -5.962 1.00 0.56 H new ATOM 0 HG1 THR A 71 -8.435 -1.174 -7.884 1.00 0.81 H new ATOM 0 HG21 THR A 71 -7.178 -0.545 -5.104 1.00 0.48 H new ATOM 0 HG22 THR A 71 -7.178 -2.105 -4.247 1.00 0.48 H new ATOM 0 HG23 THR A 71 -5.929 -1.760 -5.467 1.00 0.48 H new ATOM 1164 N GLU A 72 -5.283 -3.767 -6.938 1.00 0.49 N ATOM 1165 CA GLU A 72 -3.909 -4.107 -6.664 1.00 0.45 C ATOM 1166 C GLU A 72 -3.045 -2.854 -6.642 1.00 0.47 C ATOM 1167 O GLU A 72 -2.988 -2.104 -7.618 1.00 0.57 O ATOM 1168 CB GLU A 72 -3.404 -5.110 -7.702 1.00 0.63 C ATOM 1169 CG GLU A 72 -3.568 -4.661 -9.146 1.00 1.19 C ATOM 1170 CD GLU A 72 -3.117 -5.718 -10.131 1.00 1.50 C ATOM 1171 OE1 GLU A 72 -1.993 -5.596 -10.663 1.00 1.83 O ATOM 1172 OE2 GLU A 72 -3.883 -6.670 -10.384 1.00 1.80 O ATOM 0 H GLU A 72 -5.429 -3.235 -7.796 1.00 0.49 H new ATOM 0 HA GLU A 72 -3.845 -4.571 -5.680 1.00 0.45 H new ATOM 0 HB2 GLU A 72 -2.349 -5.308 -7.514 1.00 0.63 H new ATOM 0 HB3 GLU A 72 -3.934 -6.053 -7.566 1.00 0.63 H new ATOM 0 HG2 GLU A 72 -4.614 -4.417 -9.332 1.00 1.19 H new ATOM 0 HG3 GLU A 72 -2.994 -3.748 -9.308 1.00 1.19 H new ATOM 1179 N VAL A 73 -2.396 -2.617 -5.517 1.00 0.44 N ATOM 1180 CA VAL A 73 -1.572 -1.439 -5.345 1.00 0.52 C ATOM 1181 C VAL A 73 -0.164 -1.851 -4.935 1.00 0.64 C ATOM 1182 O VAL A 73 0.053 -2.302 -3.809 1.00 0.76 O ATOM 1183 CB VAL A 73 -2.147 -0.492 -4.276 1.00 0.52 C ATOM 1184 CG1 VAL A 73 -1.934 0.956 -4.677 1.00 0.66 C ATOM 1185 CG2 VAL A 73 -3.614 -0.781 -4.019 1.00 0.53 C ATOM 0 H VAL A 73 -2.426 -3.232 -4.703 1.00 0.44 H new ATOM 0 HA VAL A 73 -1.551 -0.910 -6.298 1.00 0.52 H new ATOM 0 HB VAL A 73 -1.611 -0.668 -3.343 1.00 0.52 H new ATOM 0 HG11 VAL A 73 -2.347 1.611 -3.909 1.00 0.66 H new ATOM 0 HG12 VAL A 73 -0.867 1.151 -4.784 1.00 0.66 H new ATOM 0 HG13 VAL A 73 -2.435 1.148 -5.626 1.00 0.66 H new ATOM 0 HG21 VAL A 73 -3.992 -0.097 -3.260 1.00 0.53 H new ATOM 0 HG22 VAL A 73 -4.178 -0.647 -4.942 1.00 0.53 H new ATOM 0 HG23 VAL A 73 -3.727 -1.808 -3.671 1.00 0.53 H new ATOM 1195 N GLU A 74 0.786 -1.705 -5.850 1.00 0.80 N ATOM 1196 CA GLU A 74 2.150 -2.147 -5.609 1.00 0.96 C ATOM 1197 C GLU A 74 2.800 -1.368 -4.483 1.00 0.98 C ATOM 1198 O GLU A 74 2.786 -0.137 -4.465 1.00 1.16 O ATOM 1199 CB GLU A 74 2.997 -1.999 -6.864 1.00 1.24 C ATOM 1200 CG GLU A 74 2.667 -2.997 -7.957 1.00 1.49 C ATOM 1201 CD GLU A 74 3.564 -2.844 -9.164 1.00 1.71 C ATOM 1202 OE1 GLU A 74 4.698 -3.367 -9.143 1.00 2.25 O ATOM 1203 OE2 GLU A 74 3.139 -2.196 -10.143 1.00 2.02 O ATOM 0 H GLU A 74 0.635 -1.283 -6.766 1.00 0.80 H new ATOM 0 HA GLU A 74 2.095 -3.198 -5.325 1.00 0.96 H new ATOM 0 HB2 GLU A 74 2.870 -0.991 -7.258 1.00 1.24 H new ATOM 0 HB3 GLU A 74 4.048 -2.106 -6.595 1.00 1.24 H new ATOM 0 HG2 GLU A 74 2.762 -4.009 -7.563 1.00 1.49 H new ATOM 0 HG3 GLU A 74 1.628 -2.869 -8.261 1.00 1.49 H new ATOM 1210 N ALA A 75 3.377 -2.102 -3.549 1.00 1.06 N ATOM 1211 CA ALA A 75 4.116 -1.499 -2.467 1.00 1.12 C ATOM 1212 C ALA A 75 5.545 -1.233 -2.898 1.00 1.43 C ATOM 1213 O ALA A 75 5.934 -0.078 -3.084 1.00 1.80 O ATOM 1214 CB ALA A 75 4.099 -2.380 -1.240 1.00 1.02 C ATOM 0 H ALA A 75 3.345 -3.121 -3.523 1.00 1.06 H new ATOM 0 HA ALA A 75 3.636 -0.554 -2.213 1.00 1.12 H new ATOM 0 HB1 ALA A 75 4.664 -1.901 -0.440 1.00 1.02 H new ATOM 0 HB2 ALA A 75 3.070 -2.533 -0.916 1.00 1.02 H new ATOM 0 HB3 ALA A 75 4.552 -3.343 -1.477 1.00 1.02 H new ATOM 1220 N TYR A 76 6.329 -2.292 -3.096 1.00 1.71 N ATOM 1221 CA TYR A 76 7.754 -2.104 -3.329 1.00 2.10 C ATOM 1222 C TYR A 76 8.482 -3.435 -3.544 1.00 2.93 C ATOM 1223 O TYR A 76 8.060 -4.478 -3.045 1.00 3.37 O ATOM 1224 CB TYR A 76 8.340 -1.350 -2.133 1.00 2.06 C ATOM 1225 CG TYR A 76 9.768 -0.903 -2.300 1.00 2.42 C ATOM 1226 CD1 TYR A 76 10.204 -0.319 -3.481 1.00 3.02 C ATOM 1227 CD2 TYR A 76 10.683 -1.064 -1.270 1.00 2.63 C ATOM 1228 CE1 TYR A 76 11.507 0.085 -3.632 1.00 3.55 C ATOM 1229 CE2 TYR A 76 11.987 -0.660 -1.412 1.00 3.23 C ATOM 1230 CZ TYR A 76 12.396 -0.088 -2.595 1.00 3.62 C ATOM 1231 OH TYR A 76 13.699 0.307 -2.743 1.00 4.28 O ATOM 0 H TYR A 76 6.011 -3.261 -3.100 1.00 1.71 H new ATOM 0 HA TYR A 76 7.892 -1.527 -4.244 1.00 2.10 H new ATOM 0 HB2 TYR A 76 7.722 -0.474 -1.936 1.00 2.06 H new ATOM 0 HB3 TYR A 76 8.276 -1.990 -1.253 1.00 2.06 H new ATOM 0 HD1 TYR A 76 9.507 -0.180 -4.294 1.00 3.02 H new ATOM 0 HD2 TYR A 76 10.364 -1.514 -0.342 1.00 2.63 H new ATOM 0 HE1 TYR A 76 11.833 0.536 -4.558 1.00 3.55 H new ATOM 0 HE2 TYR A 76 12.688 -0.790 -0.601 1.00 3.23 H new ATOM 0 HH TYR A 76 14.194 0.116 -1.919 1.00 4.28 H new ATOM 1383 N CYS A 85 13.843 4.124 0.552 1.00 2.66 N ATOM 1384 CA CYS A 85 14.788 3.894 1.637 1.00 3.24 C ATOM 1385 C CYS A 85 14.516 4.782 2.839 1.00 3.77 C ATOM 1386 O CYS A 85 15.324 4.852 3.760 1.00 4.31 O ATOM 1387 CB CYS A 85 16.225 4.073 1.162 1.00 3.79 C ATOM 1388 SG CYS A 85 16.826 2.737 0.074 1.00 4.64 S ATOM 0 HA CYS A 85 14.649 2.861 1.955 1.00 3.24 H new ATOM 0 HB2 CYS A 85 16.305 5.022 0.631 1.00 3.79 H new ATOM 0 HB3 CYS A 85 16.878 4.139 2.032 1.00 3.79 H new ATOM 0 HG CYS A 85 18.054 2.982 -0.277 1.00 4.64 H new ATOM 1393 N GLY A 86 13.414 5.494 2.801 1.00 4.00 N ATOM 1394 CA GLY A 86 12.922 6.153 3.988 1.00 4.75 C ATOM 1395 C GLY A 86 11.726 5.416 4.550 1.00 4.42 C ATOM 1396 O GLY A 86 11.766 4.925 5.674 1.00 5.13 O ATOM 0 H GLY A 86 12.844 5.631 1.966 1.00 4.00 H new ATOM 0 HA2 GLY A 86 13.712 6.201 4.738 1.00 4.75 H new ATOM 0 HA3 GLY A 86 12.645 7.180 3.752 1.00 4.75 H new ATOM 1400 N LYS A 87 10.687 5.290 3.718 1.00 3.51 N ATOM 1401 CA LYS A 87 9.517 4.451 3.999 1.00 3.25 C ATOM 1402 C LYS A 87 8.754 4.186 2.712 1.00 2.57 C ATOM 1403 O LYS A 87 9.252 4.443 1.619 1.00 2.57 O ATOM 1404 CB LYS A 87 8.507 5.043 4.980 1.00 3.54 C ATOM 1405 CG LYS A 87 9.001 5.311 6.395 1.00 4.49 C ATOM 1406 CD LYS A 87 9.416 6.760 6.587 1.00 5.19 C ATOM 1407 CE LYS A 87 9.855 7.030 8.018 1.00 6.18 C ATOM 1408 NZ LYS A 87 8.775 6.733 8.998 1.00 6.95 N ATOM 0 H LYS A 87 10.634 5.773 2.821 1.00 3.51 H new ATOM 0 HA LYS A 87 9.936 3.553 4.452 1.00 3.25 H new ATOM 0 HB2 LYS A 87 8.140 5.982 4.565 1.00 3.54 H new ATOM 0 HB3 LYS A 87 7.655 4.366 5.040 1.00 3.54 H new ATOM 0 HG2 LYS A 87 8.214 5.062 7.107 1.00 4.49 H new ATOM 0 HG3 LYS A 87 9.847 4.659 6.613 1.00 4.49 H new ATOM 0 HD2 LYS A 87 10.231 6.999 5.904 1.00 5.19 H new ATOM 0 HD3 LYS A 87 8.583 7.415 6.331 1.00 5.19 H new ATOM 0 HE2 LYS A 87 10.731 6.424 8.249 1.00 6.18 H new ATOM 0 HE3 LYS A 87 10.155 8.073 8.114 1.00 6.18 H new ATOM 0 HZ1 LYS A 87 8.885 7.345 9.832 1.00 6.95 H new ATOM 0 HZ2 LYS A 87 7.849 6.910 8.559 1.00 6.95 H new ATOM 0 HZ3 LYS A 87 8.835 5.736 9.289 1.00 6.95 H new ATOM 1422 N ARG A 88 7.534 3.677 2.864 1.00 2.48 N ATOM 1423 CA ARG A 88 6.651 3.430 1.746 1.00 2.17 C ATOM 1424 C ARG A 88 5.536 4.474 1.730 1.00 1.70 C ATOM 1425 O ARG A 88 5.235 5.104 2.741 1.00 2.18 O ATOM 1426 CB ARG A 88 6.060 2.021 1.779 1.00 3.14 C ATOM 1427 CG ARG A 88 5.896 1.378 0.402 1.00 3.80 C ATOM 1428 CD ARG A 88 4.583 1.764 -0.271 1.00 4.78 C ATOM 1429 NE ARG A 88 4.708 1.790 -1.728 1.00 5.43 N ATOM 1430 CZ ARG A 88 3.940 2.516 -2.545 1.00 6.34 C ATOM 1431 NH1 ARG A 88 2.949 3.247 -2.060 1.00 6.69 N ATOM 1432 NH2 ARG A 88 4.158 2.496 -3.854 1.00 7.15 N ATOM 0 H ARG A 88 7.137 3.427 3.770 1.00 2.48 H new ATOM 0 HA ARG A 88 7.240 3.509 0.832 1.00 2.17 H new ATOM 0 HB2 ARG A 88 6.700 1.385 2.391 1.00 3.14 H new ATOM 0 HB3 ARG A 88 5.087 2.059 2.268 1.00 3.14 H new ATOM 0 HG2 ARG A 88 6.728 1.676 -0.236 1.00 3.80 H new ATOM 0 HG3 ARG A 88 5.944 0.294 0.503 1.00 3.80 H new ATOM 0 HD2 ARG A 88 3.806 1.055 0.015 1.00 4.78 H new ATOM 0 HD3 ARG A 88 4.267 2.745 0.084 1.00 4.78 H new ATOM 0 HE ARG A 88 5.434 1.212 -2.151 1.00 5.43 H new ATOM 0 HH11 ARG A 88 2.768 3.259 -1.056 1.00 6.69 H new ATOM 0 HH12 ARG A 88 2.367 3.799 -2.690 1.00 6.69 H new ATOM 0 HH21 ARG A 88 4.912 1.926 -4.237 1.00 7.15 H new ATOM 0 HH22 ARG A 88 3.571 3.051 -4.477 1.00 7.15 H new ATOM 1446 N TYR A 89 4.951 4.644 0.570 1.00 1.34 N ATOM 1447 CA TYR A 89 3.974 5.680 0.299 1.00 1.31 C ATOM 1448 C TYR A 89 2.563 5.119 0.476 1.00 1.05 C ATOM 1449 O TYR A 89 2.394 3.900 0.617 1.00 1.43 O ATOM 1450 CB TYR A 89 4.175 6.208 -1.116 1.00 2.13 C ATOM 1451 CG TYR A 89 5.606 6.589 -1.422 1.00 2.67 C ATOM 1452 CD1 TYR A 89 6.322 5.939 -2.421 1.00 3.40 C ATOM 1453 CD2 TYR A 89 6.241 7.595 -0.709 1.00 2.94 C ATOM 1454 CE1 TYR A 89 7.632 6.285 -2.698 1.00 4.21 C ATOM 1455 CE2 TYR A 89 7.548 7.946 -0.982 1.00 3.68 C ATOM 1456 CZ TYR A 89 8.236 7.288 -1.994 1.00 4.27 C ATOM 1457 OH TYR A 89 9.542 7.637 -2.245 1.00 5.18 O ATOM 0 H TYR A 89 5.144 4.051 -0.237 1.00 1.34 H new ATOM 0 HA TYR A 89 4.105 6.504 1.001 1.00 1.31 H new ATOM 0 HB2 TYR A 89 3.850 5.449 -1.828 1.00 2.13 H new ATOM 0 HB3 TYR A 89 3.536 7.079 -1.264 1.00 2.13 H new ATOM 0 HD1 TYR A 89 5.848 5.152 -2.989 1.00 3.40 H new ATOM 0 HD2 TYR A 89 5.704 8.112 0.073 1.00 2.94 H new ATOM 0 HE1 TYR A 89 8.177 5.763 -3.470 1.00 4.21 H new ATOM 0 HE2 TYR A 89 8.032 8.726 -0.413 1.00 3.68 H new ATOM 0 HH TYR A 89 9.805 8.371 -1.651 1.00 5.18 H new ATOM 1467 N GLU A 90 1.563 5.998 0.532 1.00 0.79 N ATOM 1468 CA GLU A 90 0.240 5.611 0.996 1.00 0.71 C ATOM 1469 C GLU A 90 -0.647 5.140 -0.131 1.00 0.53 C ATOM 1470 O GLU A 90 -0.745 5.777 -1.178 1.00 0.63 O ATOM 1471 CB GLU A 90 -0.434 6.777 1.717 1.00 1.07 C ATOM 1472 CG GLU A 90 -1.905 6.542 2.010 1.00 1.28 C ATOM 1473 CD GLU A 90 -2.575 7.760 2.606 1.00 1.79 C ATOM 1474 OE1 GLU A 90 -3.414 8.379 1.922 1.00 2.09 O ATOM 1475 OE2 GLU A 90 -2.257 8.108 3.762 1.00 2.07 O ATOM 0 H GLU A 90 1.647 6.978 0.262 1.00 0.79 H new ATOM 0 HA GLU A 90 0.378 4.778 1.685 1.00 0.71 H new ATOM 0 HB2 GLU A 90 0.089 6.965 2.655 1.00 1.07 H new ATOM 0 HB3 GLU A 90 -0.332 7.676 1.110 1.00 1.07 H new ATOM 0 HG2 GLU A 90 -2.416 6.264 1.089 1.00 1.28 H new ATOM 0 HG3 GLU A 90 -2.006 5.702 2.697 1.00 1.28 H new ATOM 1482 N LEU A 91 -1.283 4.012 0.097 1.00 0.50 N ATOM 1483 CA LEU A 91 -2.335 3.555 -0.771 1.00 0.43 C ATOM 1484 C LEU A 91 -3.645 3.673 -0.024 1.00 0.43 C ATOM 1485 O LEU A 91 -3.887 2.948 0.939 1.00 0.57 O ATOM 1486 CB LEU A 91 -2.134 2.112 -1.245 1.00 0.50 C ATOM 1487 CG LEU A 91 -0.986 1.315 -0.601 1.00 0.93 C ATOM 1488 CD1 LEU A 91 -1.063 -0.141 -1.014 1.00 1.82 C ATOM 1489 CD2 LEU A 91 0.369 1.867 -1.017 1.00 1.02 C ATOM 0 H LEU A 91 -1.085 3.393 0.883 1.00 0.50 H new ATOM 0 HA LEU A 91 -2.331 4.176 -1.667 1.00 0.43 H new ATOM 0 HB2 LEU A 91 -3.062 1.567 -1.073 1.00 0.50 H new ATOM 0 HB3 LEU A 91 -1.970 2.130 -2.322 1.00 0.50 H new ATOM 0 HG LEU A 91 -1.091 1.405 0.480 1.00 0.93 H new ATOM 0 HD11 LEU A 91 -0.245 -0.694 -0.552 1.00 1.82 H new ATOM 0 HD12 LEU A 91 -2.015 -0.561 -0.689 1.00 1.82 H new ATOM 0 HD13 LEU A 91 -0.984 -0.216 -2.099 1.00 1.82 H new ATOM 0 HD21 LEU A 91 1.160 1.283 -0.546 1.00 1.02 H new ATOM 0 HD22 LEU A 91 0.469 1.806 -2.101 1.00 1.02 H new ATOM 0 HD23 LEU A 91 0.450 2.908 -0.703 1.00 1.02 H new ATOM 1501 N SER A 92 -4.477 4.589 -0.463 1.00 0.43 N ATOM 1502 CA SER A 92 -5.696 4.905 0.254 1.00 0.48 C ATOM 1503 C SER A 92 -6.888 4.558 -0.600 1.00 0.43 C ATOM 1504 O SER A 92 -6.764 4.439 -1.810 1.00 0.51 O ATOM 1505 CB SER A 92 -5.736 6.375 0.645 1.00 0.59 C ATOM 1506 OG SER A 92 -6.783 6.648 1.564 1.00 1.23 O ATOM 0 H SER A 92 -4.334 5.131 -1.315 1.00 0.43 H new ATOM 0 HA SER A 92 -5.723 4.315 1.170 1.00 0.48 H new ATOM 0 HB2 SER A 92 -4.781 6.660 1.087 1.00 0.59 H new ATOM 0 HB3 SER A 92 -5.868 6.985 -0.248 1.00 0.59 H new ATOM 0 HG SER A 92 -6.472 7.293 2.232 1.00 1.23 H new ATOM 1512 N ALA A 93 -8.036 4.396 0.018 1.00 0.52 N ATOM 1513 CA ALA A 93 -9.187 3.900 -0.705 1.00 0.54 C ATOM 1514 C ALA A 93 -10.429 4.761 -0.534 1.00 0.62 C ATOM 1515 O ALA A 93 -10.713 5.276 0.547 1.00 0.83 O ATOM 1516 CB ALA A 93 -9.480 2.467 -0.325 1.00 0.66 C ATOM 0 H ALA A 93 -8.198 4.597 1.005 1.00 0.52 H new ATOM 0 HA ALA A 93 -8.924 3.948 -1.762 1.00 0.54 H new ATOM 0 HB1 ALA A 93 -10.349 2.114 -0.880 1.00 0.66 H new ATOM 0 HB2 ALA A 93 -8.619 1.844 -0.565 1.00 0.66 H new ATOM 0 HB3 ALA A 93 -9.684 2.409 0.744 1.00 0.66 H new ATOM 1522 N ARG A 94 -11.121 4.903 -1.663 1.00 0.91 N ATOM 1523 CA ARG A 94 -12.434 5.564 -1.832 1.00 1.26 C ATOM 1524 C ARG A 94 -12.662 6.917 -1.212 1.00 0.70 C ATOM 1525 O ARG A 94 -13.732 7.501 -1.400 1.00 1.17 O ATOM 1526 CB ARG A 94 -13.606 4.698 -1.548 1.00 2.35 C ATOM 1527 CG ARG A 94 -13.351 3.313 -0.952 1.00 3.37 C ATOM 1528 CD ARG A 94 -14.670 2.569 -0.790 1.00 4.38 C ATOM 1529 NE ARG A 94 -14.505 1.141 -0.533 1.00 5.11 N ATOM 1530 CZ ARG A 94 -15.522 0.271 -0.538 1.00 6.01 C ATOM 1531 NH1 ARG A 94 -16.757 0.695 -0.785 1.00 6.36 N ATOM 1532 NH2 ARG A 94 -15.311 -1.018 -0.291 1.00 6.80 N ATOM 0 H ARG A 94 -10.765 4.539 -2.547 1.00 0.91 H new ATOM 0 HA ARG A 94 -12.354 5.760 -2.901 1.00 1.26 H new ATOM 0 HB2 ARG A 94 -14.263 5.239 -0.866 1.00 2.35 H new ATOM 0 HB3 ARG A 94 -14.155 4.564 -2.480 1.00 2.35 H new ATOM 0 HG2 ARG A 94 -12.681 2.747 -1.599 1.00 3.37 H new ATOM 0 HG3 ARG A 94 -12.856 3.409 0.014 1.00 3.37 H new ATOM 0 HD2 ARG A 94 -15.231 3.015 0.031 1.00 4.38 H new ATOM 0 HD3 ARG A 94 -15.266 2.701 -1.693 1.00 4.38 H new ATOM 0 HE ARG A 94 -13.567 0.789 -0.340 1.00 5.11 H new ATOM 0 HH11 ARG A 94 -16.929 1.683 -0.971 1.00 6.36 H new ATOM 0 HH12 ARG A 94 -17.532 0.032 -0.789 1.00 6.36 H new ATOM 0 HH21 ARG A 94 -14.367 -1.352 -0.095 1.00 6.80 H new ATOM 0 HH22 ARG A 94 -16.093 -1.673 -0.297 1.00 6.80 H new ATOM 1546 N MET A 95 -11.723 7.406 -0.470 1.00 0.84 N ATOM 1547 CA MET A 95 -11.536 8.843 -0.353 1.00 1.41 C ATOM 1548 C MET A 95 -11.795 9.512 -1.715 1.00 1.48 C ATOM 1549 O MET A 95 -12.239 10.659 -1.797 1.00 2.12 O ATOM 1550 CB MET A 95 -10.095 9.138 0.047 1.00 2.09 C ATOM 1551 CG MET A 95 -9.976 10.065 1.226 1.00 2.32 C ATOM 1552 SD MET A 95 -8.261 10.465 1.621 1.00 3.26 S ATOM 1553 CE MET A 95 -8.476 11.550 3.027 1.00 3.27 C ATOM 0 H MET A 95 -11.065 6.844 0.070 1.00 0.84 H new ATOM 0 HA MET A 95 -12.228 9.227 0.397 1.00 1.41 H new ATOM 0 HB2 MET A 95 -9.592 8.200 0.281 1.00 2.09 H new ATOM 0 HB3 MET A 95 -9.573 9.576 -0.804 1.00 2.09 H new ATOM 0 HG2 MET A 95 -10.521 10.985 1.017 1.00 2.32 H new ATOM 0 HG3 MET A 95 -10.448 9.605 2.094 1.00 2.32 H new ATOM 0 HE1 MET A 95 -7.501 11.881 3.384 1.00 3.27 H new ATOM 0 HE2 MET A 95 -9.067 12.417 2.731 1.00 3.27 H new ATOM 0 HE3 MET A 95 -8.992 11.015 3.824 1.00 3.27 H new ATOM 1563 N ASP A 96 -11.548 8.709 -2.758 1.00 1.26 N ATOM 1564 CA ASP A 96 -11.557 9.094 -4.168 1.00 1.45 C ATOM 1565 C ASP A 96 -10.571 8.187 -4.888 1.00 1.30 C ATOM 1566 O ASP A 96 -9.403 8.535 -5.027 1.00 1.97 O ATOM 1567 CB ASP A 96 -11.157 10.557 -4.399 1.00 1.76 C ATOM 1568 CG ASP A 96 -11.309 10.962 -5.853 1.00 2.34 C ATOM 1569 OD1 ASP A 96 -12.347 10.623 -6.462 1.00 2.78 O ATOM 1570 OD2 ASP A 96 -10.409 11.637 -6.391 1.00 2.86 O ATOM 0 H ASP A 96 -11.325 7.722 -2.630 1.00 1.26 H new ATOM 0 HA ASP A 96 -12.574 8.990 -4.547 1.00 1.45 H new ATOM 0 HB2 ASP A 96 -11.773 11.205 -3.775 1.00 1.76 H new ATOM 0 HB3 ASP A 96 -10.123 10.704 -4.087 1.00 1.76 H new ATOM 1575 N ALA A 97 -11.031 6.994 -5.275 1.00 0.84 N ATOM 1576 CA ALA A 97 -10.160 5.983 -5.892 1.00 0.62 C ATOM 1577 C ALA A 97 -9.143 5.486 -4.877 1.00 0.60 C ATOM 1578 O ALA A 97 -9.306 5.660 -3.668 1.00 0.92 O ATOM 1579 CB ALA A 97 -9.443 6.517 -7.143 1.00 0.55 C ATOM 0 H ALA A 97 -12.003 6.702 -5.173 1.00 0.84 H new ATOM 0 HA ALA A 97 -10.794 5.156 -6.212 1.00 0.62 H new ATOM 0 HB1 ALA A 97 -8.812 5.734 -7.563 1.00 0.55 H new ATOM 0 HB2 ALA A 97 -10.182 6.823 -7.883 1.00 0.55 H new ATOM 0 HB3 ALA A 97 -8.826 7.373 -6.871 1.00 0.55 H new ATOM 1585 N ILE A 98 -8.123 4.839 -5.382 1.00 0.39 N ATOM 1586 CA ILE A 98 -7.058 4.305 -4.576 1.00 0.34 C ATOM 1587 C ILE A 98 -5.782 5.115 -4.791 1.00 0.32 C ATOM 1588 O ILE A 98 -5.375 5.345 -5.926 1.00 0.35 O ATOM 1589 CB ILE A 98 -6.829 2.830 -4.948 1.00 0.37 C ATOM 1590 CG1 ILE A 98 -8.039 1.995 -4.518 1.00 0.46 C ATOM 1591 CG2 ILE A 98 -5.536 2.303 -4.314 1.00 0.38 C ATOM 1592 CD1 ILE A 98 -7.998 1.578 -3.087 1.00 0.50 C ATOM 0 H ILE A 98 -8.009 4.667 -6.381 1.00 0.39 H new ATOM 0 HA ILE A 98 -7.331 4.369 -3.523 1.00 0.34 H new ATOM 0 HB ILE A 98 -6.719 2.749 -6.029 1.00 0.37 H new ATOM 0 HG12 ILE A 98 -8.948 2.570 -4.694 1.00 0.46 H new ATOM 0 HG13 ILE A 98 -8.098 1.106 -5.145 1.00 0.46 H new ATOM 0 HG21 ILE A 98 -5.395 1.258 -4.591 1.00 0.38 H new ATOM 0 HG22 ILE A 98 -4.690 2.891 -4.671 1.00 0.38 H new ATOM 0 HG23 ILE A 98 -5.603 2.385 -3.229 1.00 0.38 H new ATOM 0 HD11 ILE A 98 -8.886 0.991 -2.854 1.00 0.50 H new ATOM 0 HD12 ILE A 98 -7.107 0.976 -2.909 1.00 0.50 H new ATOM 0 HD13 ILE A 98 -7.971 2.463 -2.451 1.00 0.50 H new ATOM 1604 N TYR A 99 -5.173 5.568 -3.705 1.00 0.40 N ATOM 1605 CA TYR A 99 -3.919 6.324 -3.791 1.00 0.53 C ATOM 1606 C TYR A 99 -2.769 5.344 -3.947 1.00 0.63 C ATOM 1607 O TYR A 99 -2.899 4.186 -3.565 1.00 0.86 O ATOM 1608 CB TYR A 99 -3.673 7.185 -2.541 1.00 0.79 C ATOM 1609 CG TYR A 99 -4.710 8.260 -2.269 1.00 1.11 C ATOM 1610 CD1 TYR A 99 -6.069 7.964 -2.225 1.00 1.77 C ATOM 1611 CD2 TYR A 99 -4.320 9.570 -2.025 1.00 1.50 C ATOM 1612 CE1 TYR A 99 -7.004 8.940 -1.947 1.00 2.60 C ATOM 1613 CE2 TYR A 99 -5.251 10.553 -1.750 1.00 2.26 C ATOM 1614 CZ TYR A 99 -6.591 10.233 -1.710 1.00 2.77 C ATOM 1615 OH TYR A 99 -7.520 11.209 -1.433 1.00 3.67 O ATOM 0 H TYR A 99 -5.520 5.430 -2.756 1.00 0.40 H new ATOM 0 HA TYR A 99 -3.988 6.994 -4.648 1.00 0.53 H new ATOM 0 HB2 TYR A 99 -3.622 6.527 -1.673 1.00 0.79 H new ATOM 0 HB3 TYR A 99 -2.698 7.662 -2.637 1.00 0.79 H new ATOM 0 HD1 TYR A 99 -6.398 6.952 -2.412 1.00 1.77 H new ATOM 0 HD2 TYR A 99 -3.271 9.825 -2.051 1.00 1.50 H new ATOM 0 HE1 TYR A 99 -8.055 8.692 -1.915 1.00 2.60 H new ATOM 0 HE2 TYR A 99 -4.930 11.568 -1.567 1.00 2.26 H new ATOM 0 HH TYR A 99 -7.842 11.103 -0.513 1.00 3.67 H new ATOM 1625 N PHE A 100 -1.650 5.796 -4.494 1.00 0.72 N ATOM 1626 CA PHE A 100 -0.525 4.891 -4.733 1.00 0.91 C ATOM 1627 C PHE A 100 0.750 5.409 -4.083 1.00 1.25 C ATOM 1628 O PHE A 100 1.777 4.729 -4.019 1.00 1.90 O ATOM 1629 CB PHE A 100 -0.342 4.723 -6.250 1.00 1.20 C ATOM 1630 CG PHE A 100 0.750 3.774 -6.669 1.00 1.73 C ATOM 1631 CD1 PHE A 100 1.988 4.252 -7.058 1.00 2.22 C ATOM 1632 CD2 PHE A 100 0.538 2.404 -6.658 1.00 2.19 C ATOM 1633 CE1 PHE A 100 2.995 3.385 -7.431 1.00 2.83 C ATOM 1634 CE2 PHE A 100 1.542 1.531 -7.033 1.00 2.91 C ATOM 1635 CZ PHE A 100 2.756 2.023 -7.464 1.00 3.12 C ATOM 0 H PHE A 100 -1.493 6.763 -4.777 1.00 0.72 H new ATOM 0 HA PHE A 100 -0.739 3.923 -4.281 1.00 0.91 H new ATOM 0 HB2 PHE A 100 -1.284 4.377 -6.676 1.00 1.20 H new ATOM 0 HB3 PHE A 100 -0.136 5.701 -6.684 1.00 1.20 H new ATOM 0 HD1 PHE A 100 2.169 5.317 -7.070 1.00 2.22 H new ATOM 0 HD2 PHE A 100 -0.422 2.015 -6.353 1.00 2.19 H new ATOM 0 HE1 PHE A 100 3.969 3.770 -7.697 1.00 2.83 H new ATOM 0 HE2 PHE A 100 1.376 0.465 -6.988 1.00 2.91 H new ATOM 0 HZ PHE A 100 3.517 1.348 -7.826 1.00 3.12 H new ATOM 1645 N LYS A 101 0.641 6.599 -3.569 1.00 1.07 N ATOM 1646 CA LYS A 101 1.778 7.366 -3.082 1.00 1.43 C ATOM 1647 C LYS A 101 1.316 8.331 -1.980 1.00 1.37 C ATOM 1648 O LYS A 101 0.130 8.581 -1.860 1.00 1.55 O ATOM 1649 CB LYS A 101 2.466 8.087 -4.245 1.00 2.06 C ATOM 1650 CG LYS A 101 3.413 7.211 -5.048 1.00 2.92 C ATOM 1651 CD LYS A 101 3.997 7.967 -6.230 1.00 3.76 C ATOM 1652 CE LYS A 101 4.809 7.052 -7.128 1.00 4.58 C ATOM 1653 NZ LYS A 101 5.416 7.787 -8.268 1.00 5.15 N ATOM 0 H LYS A 101 -0.251 7.083 -3.469 1.00 1.07 H new ATOM 0 HA LYS A 101 2.518 6.697 -2.642 1.00 1.43 H new ATOM 0 HB2 LYS A 101 1.703 8.485 -4.913 1.00 2.06 H new ATOM 0 HB3 LYS A 101 3.022 8.939 -3.852 1.00 2.06 H new ATOM 0 HG2 LYS A 101 4.219 6.859 -4.405 1.00 2.92 H new ATOM 0 HG3 LYS A 101 2.881 6.329 -5.405 1.00 2.92 H new ATOM 0 HD2 LYS A 101 3.192 8.423 -6.806 1.00 3.76 H new ATOM 0 HD3 LYS A 101 4.629 8.778 -5.868 1.00 3.76 H new ATOM 0 HE2 LYS A 101 5.596 6.575 -6.544 1.00 4.58 H new ATOM 0 HE3 LYS A 101 4.169 6.256 -7.509 1.00 4.58 H new ATOM 0 HZ1 LYS A 101 5.962 7.126 -8.856 1.00 5.15 H new ATOM 0 HZ2 LYS A 101 4.664 8.221 -8.841 1.00 5.15 H new ATOM 0 HZ3 LYS A 101 6.047 8.530 -7.906 1.00 5.15 H new ATOM 1667 N MET A 102 2.212 8.800 -1.115 1.00 1.76 N ATOM 1668 CA MET A 102 1.785 9.649 -0.004 1.00 2.21 C ATOM 1669 C MET A 102 2.382 11.054 -0.095 1.00 2.42 C ATOM 1670 O MET A 102 3.437 11.334 0.481 1.00 2.62 O ATOM 1671 CB MET A 102 2.181 9.001 1.327 1.00 2.82 C ATOM 1672 CG MET A 102 1.798 9.816 2.549 1.00 3.61 C ATOM 1673 SD MET A 102 2.171 8.971 4.100 1.00 4.57 S ATOM 1674 CE MET A 102 3.939 8.719 3.945 1.00 5.14 C ATOM 0 H MET A 102 3.214 8.613 -1.158 1.00 1.76 H new ATOM 0 HA MET A 102 0.701 9.747 -0.061 1.00 2.21 H new ATOM 0 HB2 MET A 102 1.711 8.020 1.396 1.00 2.82 H new ATOM 0 HB3 MET A 102 3.259 8.839 1.334 1.00 2.82 H new ATOM 0 HG2 MET A 102 2.326 10.769 2.524 1.00 3.61 H new ATOM 0 HG3 MET A 102 0.732 10.041 2.510 1.00 3.61 H new ATOM 0 HE1 MET A 102 4.361 8.491 4.924 1.00 5.14 H new ATOM 0 HE2 MET A 102 4.130 7.888 3.265 1.00 5.14 H new ATOM 0 HE3 MET A 102 4.402 9.624 3.551 1.00 5.14 H new ATOM 1684 N ASP A 103 1.715 11.929 -0.835 1.00 2.92 N ATOM 1685 CA ASP A 103 2.039 13.355 -0.830 1.00 3.46 C ATOM 1686 C ASP A 103 0.799 14.186 -0.520 1.00 3.62 C ATOM 1687 O ASP A 103 -0.231 13.641 -0.125 1.00 3.77 O ATOM 1688 CB ASP A 103 2.669 13.796 -2.147 1.00 4.39 C ATOM 1689 CG ASP A 103 4.146 13.453 -2.235 1.00 5.03 C ATOM 1690 OD1 ASP A 103 4.487 12.350 -2.711 1.00 5.64 O ATOM 1691 OD2 ASP A 103 4.978 14.288 -1.825 1.00 5.25 O ATOM 0 H ASP A 103 0.942 11.678 -1.451 1.00 2.92 H new ATOM 0 HA ASP A 103 2.775 13.522 -0.044 1.00 3.46 H new ATOM 0 HB2 ASP A 103 2.140 13.322 -2.974 1.00 4.39 H new ATOM 0 HB3 ASP A 103 2.543 14.872 -2.263 1.00 4.39 H new ATOM 1696 N GLU A 104 0.896 15.500 -0.692 1.00 4.02 N ATOM 1697 CA GLU A 104 -0.248 16.380 -0.492 1.00 4.43 C ATOM 1698 C GLU A 104 -0.955 16.688 -1.819 1.00 4.28 C ATOM 1699 O GLU A 104 -1.925 16.021 -2.181 1.00 4.73 O ATOM 1700 CB GLU A 104 0.180 17.666 0.212 1.00 4.95 C ATOM 1701 CG GLU A 104 1.540 18.184 -0.221 1.00 5.34 C ATOM 1702 CD GLU A 104 1.816 19.590 0.262 1.00 6.03 C ATOM 1703 OE1 GLU A 104 2.375 19.738 1.371 1.00 6.26 O ATOM 1704 OE2 GLU A 104 1.473 20.552 -0.457 1.00 6.61 O ATOM 0 H GLU A 104 1.754 15.978 -0.969 1.00 4.02 H new ATOM 0 HA GLU A 104 -0.963 15.862 0.147 1.00 4.43 H new ATOM 0 HB2 GLU A 104 -0.568 18.437 0.024 1.00 4.95 H new ATOM 0 HB3 GLU A 104 0.195 17.491 1.288 1.00 4.95 H new ATOM 0 HG2 GLU A 104 2.314 17.517 0.157 1.00 5.34 H new ATOM 0 HG3 GLU A 104 1.603 18.160 -1.309 1.00 5.34 H new ATOM 1711 N ARG A 105 -0.470 17.700 -2.532 1.00 3.93 N ATOM 1712 CA ARG A 105 -0.995 18.052 -3.853 1.00 3.96 C ATOM 1713 C ARG A 105 -0.429 17.114 -4.934 1.00 3.41 C ATOM 1714 O ARG A 105 -1.146 16.734 -5.862 1.00 3.35 O ATOM 1715 CB ARG A 105 -0.681 19.518 -4.169 1.00 4.49 C ATOM 1716 CG ARG A 105 -1.336 20.493 -3.206 1.00 4.98 C ATOM 1717 CD ARG A 105 -0.679 21.861 -3.267 1.00 5.81 C ATOM 1718 NE ARG A 105 0.692 21.832 -2.752 1.00 6.29 N ATOM 1719 CZ ARG A 105 1.665 22.637 -3.175 1.00 7.10 C ATOM 1720 NH1 ARG A 105 1.419 23.555 -4.100 1.00 7.50 N ATOM 1721 NH2 ARG A 105 2.882 22.532 -2.656 1.00 7.74 N ATOM 0 H ARG A 105 0.293 18.298 -2.215 1.00 3.93 H new ATOM 0 HA ARG A 105 -2.078 17.928 -3.845 1.00 3.96 H new ATOM 0 HB2 ARG A 105 0.399 19.664 -4.145 1.00 4.49 H new ATOM 0 HB3 ARG A 105 -1.011 19.743 -5.183 1.00 4.49 H new ATOM 0 HG2 ARG A 105 -2.395 20.586 -3.445 1.00 4.98 H new ATOM 0 HG3 ARG A 105 -1.271 20.102 -2.191 1.00 4.98 H new ATOM 0 HD2 ARG A 105 -0.672 22.215 -4.298 1.00 5.81 H new ATOM 0 HD3 ARG A 105 -1.269 22.573 -2.690 1.00 5.81 H new ATOM 0 HE ARG A 105 0.915 21.153 -2.024 1.00 6.29 H new ATOM 0 HH11 ARG A 105 0.481 23.647 -4.491 1.00 7.50 H new ATOM 0 HH12 ARG A 105 2.168 24.169 -4.421 1.00 7.50 H new ATOM 0 HH21 ARG A 105 3.071 21.836 -1.935 1.00 7.74 H new ATOM 0 HH22 ARG A 105 3.629 23.147 -2.978 1.00 7.74 H new ATOM 1735 N PRO A 106 0.880 16.765 -4.851 1.00 3.33 N ATOM 1736 CA PRO A 106 1.454 15.578 -5.528 1.00 3.10 C ATOM 1737 C PRO A 106 0.659 14.285 -5.169 1.00 2.43 C ATOM 1738 O PRO A 106 -0.455 14.401 -4.672 1.00 2.29 O ATOM 1739 CB PRO A 106 2.902 15.569 -5.010 1.00 3.53 C ATOM 1740 CG PRO A 106 3.200 16.981 -4.695 1.00 4.00 C ATOM 1741 CD PRO A 106 1.929 17.533 -4.142 1.00 3.83 C ATOM 0 HA PRO A 106 1.407 15.614 -6.616 1.00 3.10 H new ATOM 0 HB2 PRO A 106 3.002 14.937 -4.127 1.00 3.53 H new ATOM 0 HB3 PRO A 106 3.588 15.178 -5.761 1.00 3.53 H new ATOM 0 HG2 PRO A 106 4.012 17.061 -3.972 1.00 4.00 H new ATOM 0 HG3 PRO A 106 3.512 17.526 -5.586 1.00 4.00 H new ATOM 0 HD2 PRO A 106 1.867 17.394 -3.063 1.00 3.83 H new ATOM 0 HD3 PRO A 106 1.840 18.603 -4.331 1.00 3.83 H new ATOM 1749 N PRO A 107 1.203 13.044 -5.388 1.00 2.31 N ATOM 1750 CA PRO A 107 0.481 11.763 -5.320 1.00 1.85 C ATOM 1751 C PRO A 107 -0.918 11.739 -4.707 1.00 1.51 C ATOM 1752 O PRO A 107 -1.157 12.172 -3.576 1.00 1.80 O ATOM 1753 CB PRO A 107 1.438 11.035 -4.430 1.00 2.23 C ATOM 1754 CG PRO A 107 2.761 11.337 -5.061 1.00 2.91 C ATOM 1755 CD PRO A 107 2.612 12.712 -5.687 1.00 2.93 C ATOM 0 HA PRO A 107 0.257 11.378 -6.315 1.00 1.85 H new ATOM 0 HB2 PRO A 107 1.388 11.393 -3.402 1.00 2.23 H new ATOM 0 HB3 PRO A 107 1.235 9.964 -4.405 1.00 2.23 H new ATOM 0 HG2 PRO A 107 3.560 11.329 -4.319 1.00 2.91 H new ATOM 0 HG3 PRO A 107 3.016 10.590 -5.813 1.00 2.91 H new ATOM 0 HD2 PRO A 107 3.301 13.434 -5.250 1.00 2.93 H new ATOM 0 HD3 PRO A 107 2.807 12.694 -6.759 1.00 2.93 H new ATOM 1763 N GLN A 108 -1.808 11.112 -5.464 1.00 1.09 N ATOM 1764 CA GLN A 108 -3.241 11.184 -5.259 1.00 0.94 C ATOM 1765 C GLN A 108 -3.868 9.884 -5.762 1.00 0.70 C ATOM 1766 O GLN A 108 -3.129 8.950 -6.081 1.00 0.64 O ATOM 1767 CB GLN A 108 -3.808 12.385 -6.038 1.00 1.18 C ATOM 1768 CG GLN A 108 -3.555 13.731 -5.384 1.00 1.72 C ATOM 1769 CD GLN A 108 -4.406 14.829 -5.986 1.00 2.15 C ATOM 1770 OE1 GLN A 108 -4.019 15.463 -6.966 1.00 2.57 O ATOM 1771 NE2 GLN A 108 -5.568 15.066 -5.401 1.00 2.71 N ATOM 0 H GLN A 108 -1.543 10.526 -6.256 1.00 1.09 H new ATOM 0 HA GLN A 108 -3.469 11.314 -4.201 1.00 0.94 H new ATOM 0 HB2 GLN A 108 -3.373 12.393 -7.037 1.00 1.18 H new ATOM 0 HB3 GLN A 108 -4.883 12.250 -6.159 1.00 1.18 H new ATOM 0 HG2 GLN A 108 -3.761 13.658 -4.316 1.00 1.72 H new ATOM 0 HG3 GLN A 108 -2.502 13.991 -5.489 1.00 1.72 H new ATOM 0 HE21 GLN A 108 -5.852 14.517 -4.590 1.00 2.71 H new ATOM 0 HE22 GLN A 108 -6.180 15.798 -5.761 1.00 2.71 H new ATOM 1780 N PRO A 109 -5.216 9.774 -5.790 1.00 0.68 N ATOM 1781 CA PRO A 109 -5.929 8.727 -6.517 1.00 0.55 C ATOM 1782 C PRO A 109 -5.212 8.302 -7.796 1.00 0.56 C ATOM 1783 O PRO A 109 -5.120 9.067 -8.758 1.00 0.80 O ATOM 1784 CB PRO A 109 -7.264 9.408 -6.860 1.00 0.65 C ATOM 1785 CG PRO A 109 -7.277 10.709 -6.109 1.00 0.82 C ATOM 1786 CD PRO A 109 -6.188 10.609 -5.084 1.00 0.91 C ATOM 0 HA PRO A 109 -6.022 7.812 -5.932 1.00 0.55 H new ATOM 0 HB2 PRO A 109 -7.350 9.577 -7.933 1.00 0.65 H new ATOM 0 HB3 PRO A 109 -8.107 8.782 -6.568 1.00 0.65 H new ATOM 0 HG2 PRO A 109 -7.103 11.549 -6.782 1.00 0.82 H new ATOM 0 HG3 PRO A 109 -8.244 10.875 -5.635 1.00 0.82 H new ATOM 0 HD2 PRO A 109 -5.779 11.584 -4.820 1.00 0.91 H new ATOM 0 HD3 PRO A 109 -6.533 10.147 -4.159 1.00 0.91 H new ATOM 1794 N LEU A 110 -4.697 7.084 -7.794 1.00 0.49 N ATOM 1795 CA LEU A 110 -3.916 6.576 -8.909 1.00 0.61 C ATOM 1796 C LEU A 110 -4.411 5.216 -9.368 1.00 0.51 C ATOM 1797 O LEU A 110 -4.049 4.736 -10.447 1.00 0.62 O ATOM 1798 CB LEU A 110 -2.453 6.471 -8.507 1.00 0.83 C ATOM 1799 CG LEU A 110 -1.526 7.527 -9.115 1.00 1.22 C ATOM 1800 CD1 LEU A 110 -0.119 7.387 -8.561 1.00 1.89 C ATOM 1801 CD2 LEU A 110 -1.509 7.414 -10.630 1.00 1.61 C ATOM 0 H LEU A 110 -4.807 6.423 -7.025 1.00 0.49 H new ATOM 0 HA LEU A 110 -4.028 7.275 -9.738 1.00 0.61 H new ATOM 0 HB2 LEU A 110 -2.387 6.536 -7.421 1.00 0.83 H new ATOM 0 HB3 LEU A 110 -2.086 5.484 -8.790 1.00 0.83 H new ATOM 0 HG LEU A 110 -1.908 8.511 -8.845 1.00 1.22 H new ATOM 0 HD11 LEU A 110 0.524 8.146 -9.005 1.00 1.89 H new ATOM 0 HD12 LEU A 110 -0.139 7.517 -7.479 1.00 1.89 H new ATOM 0 HD13 LEU A 110 0.269 6.397 -8.800 1.00 1.89 H new ATOM 0 HD21 LEU A 110 -0.845 8.173 -11.044 1.00 1.61 H new ATOM 0 HD22 LEU A 110 -1.153 6.424 -10.917 1.00 1.61 H new ATOM 0 HD23 LEU A 110 -2.517 7.564 -11.017 1.00 1.61 H new ATOM 1813 N ASN A 111 -5.243 4.611 -8.552 1.00 0.42 N ATOM 1814 CA ASN A 111 -5.794 3.315 -8.828 1.00 0.48 C ATOM 1815 C ASN A 111 -7.236 3.406 -8.441 1.00 0.42 C ATOM 1816 O ASN A 111 -7.649 4.430 -7.932 1.00 0.50 O ATOM 1817 CB ASN A 111 -5.095 2.189 -8.038 1.00 0.60 C ATOM 1818 CG ASN A 111 -3.578 2.266 -8.089 1.00 1.17 C ATOM 1819 OD1 ASN A 111 -2.954 2.968 -7.298 1.00 1.86 O ATOM 1820 ND2 ASN A 111 -2.974 1.529 -9.009 1.00 1.75 N ATOM 0 H ASN A 111 -5.557 5.014 -7.669 1.00 0.42 H new ATOM 0 HA ASN A 111 -5.655 3.060 -9.879 1.00 0.48 H new ATOM 0 HB2 ASN A 111 -5.418 2.231 -6.998 1.00 0.60 H new ATOM 0 HB3 ASN A 111 -5.416 1.225 -8.433 1.00 0.60 H new ATOM 0 HD21 ASN A 111 -1.956 1.532 -9.078 1.00 1.75 H new ATOM 0 HD22 ASN A 111 -3.527 0.958 -9.649 1.00 1.75 H new ATOM 1827 N LYS A 112 -8.013 2.398 -8.693 1.00 0.59 N ATOM 1828 CA LYS A 112 -9.365 2.410 -8.236 1.00 0.60 C ATOM 1829 C LYS A 112 -9.800 1.032 -7.821 1.00 0.72 C ATOM 1830 O LYS A 112 -9.447 0.036 -8.450 1.00 0.84 O ATOM 1831 CB LYS A 112 -10.271 2.955 -9.317 1.00 0.72 C ATOM 1832 CG LYS A 112 -10.124 2.276 -10.668 1.00 1.33 C ATOM 1833 CD LYS A 112 -11.138 2.810 -11.665 1.00 1.68 C ATOM 1834 CE LYS A 112 -10.977 2.167 -13.034 1.00 2.31 C ATOM 1835 NZ LYS A 112 -9.656 2.474 -13.644 1.00 2.93 N ATOM 0 H LYS A 112 -7.736 1.563 -9.209 1.00 0.59 H new ATOM 0 HA LYS A 112 -9.433 3.059 -7.363 1.00 0.60 H new ATOM 0 HB2 LYS A 112 -11.306 2.859 -8.988 1.00 0.72 H new ATOM 0 HB3 LYS A 112 -10.072 4.020 -9.437 1.00 0.72 H new ATOM 0 HG2 LYS A 112 -9.116 2.435 -11.050 1.00 1.33 H new ATOM 0 HG3 LYS A 112 -10.255 1.200 -10.553 1.00 1.33 H new ATOM 0 HD2 LYS A 112 -12.146 2.625 -11.293 1.00 1.68 H new ATOM 0 HD3 LYS A 112 -11.025 3.890 -11.755 1.00 1.68 H new ATOM 0 HE2 LYS A 112 -11.091 1.087 -12.942 1.00 2.31 H new ATOM 0 HE3 LYS A 112 -11.771 2.517 -13.694 1.00 2.31 H new ATOM 0 HZ1 LYS A 112 -9.668 2.210 -14.650 1.00 2.93 H new ATOM 0 HZ2 LYS A 112 -9.461 3.492 -13.556 1.00 2.93 H new ATOM 0 HZ3 LYS A 112 -8.914 1.935 -13.154 1.00 2.93 H new ATOM 1849 N TRP A 113 -10.555 0.987 -6.752 1.00 0.77 N ATOM 1850 CA TRP A 113 -11.072 -0.251 -6.248 1.00 0.97 C ATOM 1851 C TRP A 113 -12.289 -0.669 -7.050 1.00 1.02 C ATOM 1852 O TRP A 113 -12.751 0.055 -7.936 1.00 1.12 O ATOM 1853 CB TRP A 113 -11.439 -0.118 -4.778 1.00 1.07 C ATOM 1854 CG TRP A 113 -12.292 1.086 -4.503 1.00 0.99 C ATOM 1855 CD1 TRP A 113 -11.856 2.327 -4.141 1.00 0.86 C ATOM 1856 CD2 TRP A 113 -13.722 1.174 -4.588 1.00 1.35 C ATOM 1857 NE1 TRP A 113 -12.922 3.176 -3.998 1.00 1.06 N ATOM 1858 CE2 TRP A 113 -14.077 2.492 -4.263 1.00 1.36 C ATOM 1859 CE3 TRP A 113 -14.736 0.268 -4.902 1.00 1.82 C ATOM 1860 CZ2 TRP A 113 -15.399 2.927 -4.249 1.00 1.79 C ATOM 1861 CZ3 TRP A 113 -16.048 0.699 -4.887 1.00 2.23 C ATOM 1862 CH2 TRP A 113 -16.370 2.019 -4.562 1.00 2.20 C ATOM 0 H TRP A 113 -10.826 1.808 -6.211 1.00 0.77 H new ATOM 0 HA TRP A 113 -10.300 -1.014 -6.345 1.00 0.97 H new ATOM 0 HB2 TRP A 113 -11.969 -1.015 -4.457 1.00 1.07 H new ATOM 0 HB3 TRP A 113 -10.527 -0.056 -4.184 1.00 1.07 H new ATOM 0 HD1 TRP A 113 -10.822 2.600 -3.989 1.00 0.86 H new ATOM 0 HE1 TRP A 113 -12.864 4.160 -3.736 1.00 1.06 H new ATOM 0 HE3 TRP A 113 -14.498 -0.755 -5.153 1.00 1.82 H new ATOM 0 HZ2 TRP A 113 -15.648 3.948 -3.999 1.00 1.79 H new ATOM 0 HZ3 TRP A 113 -16.838 0.004 -5.131 1.00 2.23 H new ATOM 0 HH2 TRP A 113 -17.405 2.327 -4.558 1.00 2.20 H new ATOM 1873 N ARG A 114 -12.813 -1.823 -6.718 1.00 1.34 N ATOM 1874 CA ARG A 114 -13.888 -2.421 -7.474 1.00 1.50 C ATOM 1875 C ARG A 114 -15.024 -2.846 -6.572 1.00 1.82 C ATOM 1876 O ARG A 114 -15.023 -2.563 -5.377 1.00 2.41 O ATOM 1877 CB ARG A 114 -13.340 -3.625 -8.203 1.00 1.80 C ATOM 1878 CG ARG A 114 -12.854 -3.319 -9.609 1.00 2.76 C ATOM 1879 CD ARG A 114 -12.379 -4.570 -10.325 1.00 3.56 C ATOM 1880 NE ARG A 114 -11.085 -5.029 -9.831 1.00 4.38 N ATOM 1881 CZ ARG A 114 -10.625 -6.269 -9.985 1.00 5.34 C ATOM 1882 NH1 ARG A 114 -11.396 -7.210 -10.519 1.00 5.63 N ATOM 1883 NH2 ARG A 114 -9.401 -6.575 -9.584 1.00 6.29 N ATOM 0 H ARG A 114 -12.507 -2.375 -5.917 1.00 1.34 H new ATOM 0 HA ARG A 114 -14.281 -1.688 -8.178 1.00 1.50 H new ATOM 0 HB2 ARG A 114 -12.515 -4.043 -7.626 1.00 1.80 H new ATOM 0 HB3 ARG A 114 -14.114 -4.391 -8.254 1.00 1.80 H new ATOM 0 HG2 ARG A 114 -13.660 -2.857 -10.180 1.00 2.76 H new ATOM 0 HG3 ARG A 114 -12.040 -2.595 -9.563 1.00 2.76 H new ATOM 0 HD2 ARG A 114 -13.117 -5.362 -10.197 1.00 3.56 H new ATOM 0 HD3 ARG A 114 -12.308 -4.370 -11.394 1.00 3.56 H new ATOM 0 HE ARG A 114 -10.496 -4.358 -9.337 1.00 4.38 H new ATOM 0 HH11 ARG A 114 -12.346 -6.984 -10.814 1.00 5.63 H new ATOM 0 HH12 ARG A 114 -11.038 -8.158 -10.634 1.00 5.63 H new ATOM 0 HH21 ARG A 114 -8.811 -5.861 -9.157 1.00 6.29 H new ATOM 0 HH22 ARG A 114 -9.048 -7.525 -9.702 1.00 6.29 H new ATOM 1897 N SER A 115 -15.973 -3.554 -7.148 1.00 2.02 N ATOM 1898 CA SER A 115 -17.122 -4.032 -6.412 1.00 2.76 C ATOM 1899 C SER A 115 -17.814 -5.150 -7.184 1.00 3.19 C ATOM 1900 O SER A 115 -18.946 -4.950 -7.661 1.00 3.60 O ATOM 1901 CB SER A 115 -18.072 -2.867 -6.128 1.00 3.33 C ATOM 1902 OG SER A 115 -18.234 -2.040 -7.273 1.00 4.01 O ATOM 1903 OXT SER A 115 -17.190 -6.217 -7.347 1.00 3.62 O ATOM 0 H SER A 115 -15.969 -3.813 -8.135 1.00 2.02 H new ATOM 0 HA SER A 115 -16.799 -4.445 -5.456 1.00 2.76 H new ATOM 0 HB2 SER A 115 -19.042 -3.254 -5.816 1.00 3.33 H new ATOM 0 HB3 SER A 115 -17.685 -2.273 -5.300 1.00 3.33 H new ATOM 0 HG SER A 115 -18.847 -1.305 -7.062 1.00 4.01 H new