USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 698 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 88 HIS : no HD1:sc= -2.27 K(o=-4.6,f=-7!) USER MOD Set 1.2: A 89 LYS NZ :NH3+ -113:sc= -2.34 (180deg=-7.32!) USER MOD Set 2.1: A 35 ASN : amide:sc= -0.868 K(o=-3.3,f=-5) USER MOD Set 2.2: A 38 TYR OH : rot 180:sc= 0 USER MOD Set 2.3: A 55 HIS : no HE2:sc= -2.46 X(o=-3.3,f=-3.1) USER MOD Set 3.1: A 53 THR OG1 : rot 140:sc= -0.137 USER MOD Set 3.2: A 62 HIS : no HE2:sc= -0.779 X(o=-0.92,f=-0.88) USER MOD Single : A 4 ASN : amide:sc= -0.17 K(o=-0.17,f=-5.6!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -10.6! C(o=-11!,f=-19!) USER MOD Single : A 9 ASN : amide:sc= -0.337 K(o=-0.34,f=-1.6) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 80:sc= 0.43 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 TYR OH : rot 180:sc=-0.00254 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.151 USER MOD Single : A 48 HIS : no HD1:sc= -3.41 K(o=-3.4,f=-4.1) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 8:sc= -3.65! USER MOD Single : A 57 ASN : amide:sc= -0.493 K(o=-0.49,f=-2.1) USER MOD Single : A 64 SER OG : rot 70:sc= 1.19 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 MET CE :methyl 147:sc= -7.15 (180deg=-11.2!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 151:sc= 1.22 (180deg=0.378) USER MOD Single : A 84 GLN : amide:sc=-0.00447 X(o=-0.0045,f=0) USER MOD Single : A 86 THR OG1 : rot -38:sc= 0.997 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N LEU A 3 0.602 -10.340 -4.991 1.00 0.00 N ATOM 38 CA LEU A 3 -0.266 -9.454 -4.224 1.00 0.00 C ATOM 39 C LEU A 3 -1.636 -9.331 -4.882 1.00 0.00 C ATOM 40 O LEU A 3 -1.755 -9.403 -6.105 1.00 0.00 O ATOM 41 CB LEU A 3 0.377 -8.072 -4.077 1.00 0.00 C ATOM 42 CG LEU A 3 0.442 -7.241 -5.360 1.00 0.00 C ATOM 43 CD1 LEU A 3 0.220 -5.768 -5.052 1.00 0.00 C ATOM 44 CD2 LEU A 3 1.778 -7.444 -6.057 1.00 0.00 C ATOM 0 HA LEU A 3 -0.400 -9.886 -3.232 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.178 -7.509 -3.327 1.00 0.00 H new ATOM 0 HB3 LEU A 3 1.390 -8.200 -3.695 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.351 -7.576 -6.029 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.270 -5.192 -5.976 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.760 -5.636 -4.594 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.991 -5.420 -4.365 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.808 -6.846 -6.968 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.585 -7.135 -5.393 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.900 -8.497 -6.310 1.00 0.00 H new ATOM 56 N ASN A 4 -2.666 -9.145 -4.064 1.00 0.00 N ATOM 57 CA ASN A 4 -4.028 -9.013 -4.568 1.00 0.00 C ATOM 58 C ASN A 4 -4.802 -7.959 -3.783 1.00 0.00 C ATOM 59 O ASN A 4 -4.453 -7.634 -2.649 1.00 0.00 O ATOM 60 CB ASN A 4 -4.756 -10.357 -4.489 1.00 0.00 C ATOM 61 CG ASN A 4 -6.090 -10.337 -5.207 1.00 0.00 C ATOM 62 OD1 ASN A 4 -6.372 -9.430 -5.991 1.00 0.00 O ATOM 63 ND2 ASN A 4 -6.920 -11.338 -4.942 1.00 0.00 N ATOM 0 H ASN A 4 -2.584 -9.082 -3.049 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.972 -8.696 -5.609 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -4.126 -11.134 -4.922 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.914 -10.620 -3.443 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -7.833 -11.377 -5.395 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -6.645 -12.068 -4.285 1.00 0.00 H new ATOM 70 N ILE A 5 -5.854 -7.426 -4.396 1.00 0.00 N ATOM 71 CA ILE A 5 -6.679 -6.407 -3.758 1.00 0.00 C ATOM 72 C ILE A 5 -8.161 -6.731 -3.906 1.00 0.00 C ATOM 73 O ILE A 5 -8.566 -7.411 -4.849 1.00 0.00 O ATOM 74 CB ILE A 5 -6.416 -4.999 -4.339 1.00 0.00 C ATOM 75 CG1 ILE A 5 -5.929 -5.090 -5.790 1.00 0.00 C ATOM 76 CG2 ILE A 5 -5.408 -4.251 -3.484 1.00 0.00 C ATOM 77 CD1 ILE A 5 -6.251 -3.862 -6.613 1.00 0.00 C ATOM 0 H ILE A 5 -6.156 -7.684 -5.336 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.405 -6.406 -2.703 1.00 0.00 H new ATOM 0 HB ILE A 5 -7.355 -4.446 -4.330 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.850 -5.247 -5.794 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.380 -5.963 -6.262 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.235 -3.262 -3.908 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.795 -4.149 -2.470 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.469 -4.805 -3.460 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -5.877 -3.996 -7.628 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -7.331 -3.715 -6.640 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.777 -2.989 -6.164 1.00 0.00 H new ATOM 89 N THR A 6 -8.967 -6.232 -2.974 1.00 0.00 N ATOM 90 CA THR A 6 -10.406 -6.458 -3.003 1.00 0.00 C ATOM 91 C THR A 6 -11.141 -5.190 -2.585 1.00 0.00 C ATOM 92 O THR A 6 -10.961 -4.697 -1.472 1.00 0.00 O ATOM 93 CB THR A 6 -10.784 -7.614 -2.078 1.00 0.00 C ATOM 94 OG1 THR A 6 -9.965 -8.744 -2.327 1.00 0.00 O ATOM 95 CG2 THR A 6 -12.225 -8.052 -2.225 1.00 0.00 C ATOM 0 H THR A 6 -8.646 -5.667 -2.188 1.00 0.00 H new ATOM 0 HA THR A 6 -10.698 -6.719 -4.020 1.00 0.00 H new ATOM 0 HB THR A 6 -10.638 -7.234 -1.067 1.00 0.00 H new ATOM 0 HG1 THR A 6 -10.221 -9.473 -1.724 1.00 0.00 H new ATOM 0 HG21 THR A 6 -12.427 -8.876 -1.540 1.00 0.00 H new ATOM 0 HG22 THR A 6 -12.885 -7.216 -1.992 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.403 -8.380 -3.249 1.00 0.00 H new ATOM 103 N GLY A 7 -11.959 -4.657 -3.486 1.00 0.00 N ATOM 104 CA GLY A 7 -12.691 -3.441 -3.188 1.00 0.00 C ATOM 105 C GLY A 7 -14.123 -3.699 -2.763 1.00 0.00 C ATOM 106 O GLY A 7 -14.839 -4.474 -3.396 1.00 0.00 O ATOM 0 H GLY A 7 -12.128 -5.044 -4.414 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.175 -2.898 -2.396 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.690 -2.798 -4.068 1.00 0.00 H new ATOM 110 N ASN A 8 -14.542 -3.036 -1.688 1.00 0.00 N ATOM 111 CA ASN A 8 -15.897 -3.184 -1.173 1.00 0.00 C ATOM 112 C ASN A 8 -16.717 -1.930 -1.466 1.00 0.00 C ATOM 113 O ASN A 8 -16.400 -0.844 -0.980 1.00 0.00 O ATOM 114 CB ASN A 8 -15.870 -3.453 0.336 1.00 0.00 C ATOM 115 CG ASN A 8 -15.371 -2.268 1.125 1.00 0.00 C ATOM 116 OD1 ASN A 8 -16.138 -1.360 1.438 1.00 0.00 O ATOM 117 ND2 ASN A 8 -14.084 -2.271 1.454 1.00 0.00 N ATOM 0 H ASN A 8 -13.959 -2.389 -1.156 1.00 0.00 H new ATOM 0 HA ASN A 8 -16.363 -4.034 -1.672 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -16.873 -3.714 0.673 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -15.232 -4.314 0.537 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -13.693 -1.496 1.990 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -13.487 -3.048 1.171 1.00 0.00 H new ATOM 124 N ASN A 9 -17.767 -2.082 -2.265 1.00 0.00 N ATOM 125 CA ASN A 9 -18.621 -0.955 -2.623 1.00 0.00 C ATOM 126 C ASN A 9 -17.825 0.100 -3.385 1.00 0.00 C ATOM 127 O ASN A 9 -18.037 1.300 -3.209 1.00 0.00 O ATOM 128 CB ASN A 9 -19.238 -0.335 -1.367 1.00 0.00 C ATOM 129 CG ASN A 9 -20.367 0.623 -1.689 1.00 0.00 C ATOM 130 OD1 ASN A 9 -21.009 0.516 -2.734 1.00 0.00 O ATOM 131 ND2 ASN A 9 -20.616 1.570 -0.791 1.00 0.00 N ATOM 0 H ASN A 9 -18.047 -2.972 -2.676 1.00 0.00 H new ATOM 0 HA ASN A 9 -19.420 -1.323 -3.266 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -19.612 -1.128 -0.720 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -18.465 0.193 -0.809 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -21.364 2.244 -0.955 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -20.060 1.623 0.062 1.00 0.00 H new ATOM 138 N VAL A 10 -16.912 -0.359 -4.235 1.00 0.00 N ATOM 139 CA VAL A 10 -16.084 0.541 -5.029 1.00 0.00 C ATOM 140 C VAL A 10 -15.670 -0.115 -6.344 1.00 0.00 C ATOM 141 O VAL A 10 -15.233 -1.266 -6.362 1.00 0.00 O ATOM 142 CB VAL A 10 -14.824 0.975 -4.259 1.00 0.00 C ATOM 143 CG1 VAL A 10 -13.976 -0.232 -3.906 1.00 0.00 C ATOM 144 CG2 VAL A 10 -14.021 1.985 -5.068 1.00 0.00 C ATOM 0 H VAL A 10 -16.727 -1.350 -4.392 1.00 0.00 H new ATOM 0 HA VAL A 10 -16.687 1.424 -5.241 1.00 0.00 H new ATOM 0 HB VAL A 10 -15.135 1.456 -3.332 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -13.089 0.093 -3.362 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -14.555 -0.914 -3.283 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -13.674 -0.744 -4.820 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.135 2.279 -4.506 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -13.719 1.536 -6.014 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -14.634 2.864 -5.264 1.00 0.00 H new ATOM 154 N GLU A 11 -15.808 0.622 -7.440 1.00 0.00 N ATOM 155 CA GLU A 11 -15.445 0.109 -8.755 1.00 0.00 C ATOM 156 C GLU A 11 -13.929 0.029 -8.906 1.00 0.00 C ATOM 157 O GLU A 11 -13.234 1.042 -8.838 1.00 0.00 O ATOM 158 CB GLU A 11 -16.037 0.998 -9.854 1.00 0.00 C ATOM 159 CG GLU A 11 -16.736 0.217 -10.955 1.00 0.00 C ATOM 160 CD GLU A 11 -16.906 1.027 -12.225 1.00 0.00 C ATOM 161 OE1 GLU A 11 -17.053 2.264 -12.124 1.00 0.00 O ATOM 162 OE2 GLU A 11 -16.892 0.426 -13.321 1.00 0.00 O ATOM 0 H GLU A 11 -16.168 1.576 -7.444 1.00 0.00 H new ATOM 0 HA GLU A 11 -15.855 -0.896 -8.853 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -16.747 1.693 -9.405 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -15.240 1.597 -10.294 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -16.163 -0.684 -11.177 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -17.715 -0.107 -10.601 1.00 0.00 H new ATOM 169 N ILE A 12 -13.423 -1.184 -9.113 1.00 0.00 N ATOM 170 CA ILE A 12 -11.989 -1.394 -9.274 1.00 0.00 C ATOM 171 C ILE A 12 -11.552 -1.118 -10.708 1.00 0.00 C ATOM 172 O ILE A 12 -11.614 -1.996 -11.568 1.00 0.00 O ATOM 173 CB ILE A 12 -11.586 -2.833 -8.890 1.00 0.00 C ATOM 174 CG1 ILE A 12 -12.043 -3.152 -7.465 1.00 0.00 C ATOM 175 CG2 ILE A 12 -10.081 -3.023 -9.025 1.00 0.00 C ATOM 176 CD1 ILE A 12 -11.290 -2.387 -6.399 1.00 0.00 C ATOM 0 H ILE A 12 -13.984 -2.034 -9.173 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.488 -0.695 -8.605 1.00 0.00 H new ATOM 0 HB ILE A 12 -12.079 -3.523 -9.574 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -13.106 -2.930 -7.376 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -11.924 -4.220 -7.285 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -9.817 -4.044 -8.750 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.782 -2.836 -10.056 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -9.566 -2.325 -8.366 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -11.669 -2.665 -5.415 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.229 -2.627 -6.460 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -11.429 -1.317 -6.552 1.00 0.00 H new ATOM 188 N THR A 13 -11.106 0.110 -10.960 1.00 0.00 N ATOM 189 CA THR A 13 -10.655 0.502 -12.289 1.00 0.00 C ATOM 190 C THR A 13 -9.140 0.373 -12.404 1.00 0.00 C ATOM 191 O THR A 13 -8.414 0.624 -11.443 1.00 0.00 O ATOM 192 CB THR A 13 -11.083 1.939 -12.592 1.00 0.00 C ATOM 193 OG1 THR A 13 -10.548 2.835 -11.634 1.00 0.00 O ATOM 194 CG2 THR A 13 -12.585 2.125 -12.608 1.00 0.00 C ATOM 0 H THR A 13 -11.048 0.850 -10.260 1.00 0.00 H new ATOM 0 HA THR A 13 -11.116 -0.166 -13.017 1.00 0.00 H new ATOM 0 HB THR A 13 -10.697 2.151 -13.589 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.832 3.749 -11.846 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.820 3.166 -12.829 1.00 0.00 H new ATOM 0 HG22 THR A 13 -13.023 1.484 -13.373 1.00 0.00 H new ATOM 0 HG23 THR A 13 -12.995 1.859 -11.634 1.00 0.00 H new ATOM 202 N GLU A 14 -8.673 -0.033 -13.585 1.00 0.00 N ATOM 203 CA GLU A 14 -7.242 -0.213 -13.840 1.00 0.00 C ATOM 204 C GLU A 14 -6.399 0.864 -13.161 1.00 0.00 C ATOM 205 O GLU A 14 -5.278 0.601 -12.726 1.00 0.00 O ATOM 206 CB GLU A 14 -6.974 -0.208 -15.346 1.00 0.00 C ATOM 207 CG GLU A 14 -7.510 -1.436 -16.063 1.00 0.00 C ATOM 208 CD GLU A 14 -7.897 -1.149 -17.501 1.00 0.00 C ATOM 209 OE1 GLU A 14 -8.997 -0.598 -17.720 1.00 0.00 O ATOM 210 OE2 GLU A 14 -7.101 -1.473 -18.407 1.00 0.00 O ATOM 0 H GLU A 14 -9.269 -0.245 -14.385 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.953 -1.175 -13.417 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.424 0.683 -15.784 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.899 -0.139 -15.515 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.755 -2.222 -16.044 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.379 -1.816 -15.526 1.00 0.00 H new ATOM 217 N ALA A 15 -6.938 2.077 -13.075 1.00 0.00 N ATOM 218 CA ALA A 15 -6.223 3.182 -12.447 1.00 0.00 C ATOM 219 C ALA A 15 -6.055 2.950 -10.950 1.00 0.00 C ATOM 220 O ALA A 15 -4.965 3.122 -10.404 1.00 0.00 O ATOM 221 CB ALA A 15 -6.953 4.492 -12.700 1.00 0.00 C ATOM 0 H ALA A 15 -7.863 2.318 -13.431 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.230 3.238 -12.892 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.409 5.309 -12.226 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.016 4.672 -13.773 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.958 4.435 -12.282 1.00 0.00 H new ATOM 227 N LEU A 16 -7.140 2.555 -10.291 1.00 0.00 N ATOM 228 CA LEU A 16 -7.113 2.297 -8.855 1.00 0.00 C ATOM 229 C LEU A 16 -6.067 1.241 -8.512 1.00 0.00 C ATOM 230 O LEU A 16 -5.074 1.529 -7.845 1.00 0.00 O ATOM 231 CB LEU A 16 -8.492 1.841 -8.372 1.00 0.00 C ATOM 232 CG LEU A 16 -8.858 2.279 -6.952 1.00 0.00 C ATOM 233 CD1 LEU A 16 -7.843 1.747 -5.952 1.00 0.00 C ATOM 234 CD2 LEU A 16 -8.950 3.795 -6.869 1.00 0.00 C ATOM 0 H LEU A 16 -8.049 2.407 -10.729 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.846 3.225 -8.349 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.246 2.224 -9.060 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.537 0.753 -8.423 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.834 1.863 -6.703 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.119 2.068 -4.948 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.828 0.658 -5.993 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.854 2.133 -6.197 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.211 4.089 -5.852 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.989 4.233 -7.138 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.716 4.151 -7.558 1.00 0.00 H new ATOM 246 N ARG A 17 -6.299 0.015 -8.974 1.00 0.00 N ATOM 247 CA ARG A 17 -5.377 -1.088 -8.718 1.00 0.00 C ATOM 248 C ARG A 17 -3.940 -0.684 -9.039 1.00 0.00 C ATOM 249 O ARG A 17 -3.009 -1.034 -8.314 1.00 0.00 O ATOM 250 CB ARG A 17 -5.772 -2.317 -9.541 1.00 0.00 C ATOM 251 CG ARG A 17 -5.752 -2.084 -11.042 1.00 0.00 C ATOM 252 CD ARG A 17 -4.454 -2.575 -11.665 1.00 0.00 C ATOM 253 NE ARG A 17 -4.568 -2.738 -13.113 1.00 0.00 N ATOM 254 CZ ARG A 17 -3.524 -2.841 -13.931 1.00 0.00 C ATOM 255 NH1 ARG A 17 -2.287 -2.800 -13.450 1.00 0.00 N ATOM 256 NH2 ARG A 17 -3.716 -2.987 -15.234 1.00 0.00 N ATOM 0 H ARG A 17 -7.117 -0.240 -9.527 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.436 -1.337 -7.659 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -5.094 -3.136 -9.301 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.772 -2.634 -9.246 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.595 -2.599 -11.502 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.876 -1.021 -11.248 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -3.655 -1.868 -11.442 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.173 -3.527 -11.214 1.00 0.00 H new ATOM 0 HE ARG A 17 -5.503 -2.775 -13.520 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.133 -2.689 -12.448 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -1.491 -2.880 -14.083 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -4.664 -3.020 -15.609 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.916 -3.066 -15.862 1.00 0.00 H new ATOM 270 N GLU A 18 -3.770 0.057 -10.129 1.00 0.00 N ATOM 271 CA GLU A 18 -2.449 0.511 -10.546 1.00 0.00 C ATOM 272 C GLU A 18 -1.824 1.415 -9.489 1.00 0.00 C ATOM 273 O GLU A 18 -0.690 1.197 -9.065 1.00 0.00 O ATOM 274 CB GLU A 18 -2.540 1.254 -11.880 1.00 0.00 C ATOM 275 CG GLU A 18 -2.367 0.354 -13.092 1.00 0.00 C ATOM 276 CD GLU A 18 -0.947 -0.158 -13.239 1.00 0.00 C ATOM 277 OE1 GLU A 18 -0.573 -1.093 -12.500 1.00 0.00 O ATOM 278 OE2 GLU A 18 -0.209 0.376 -14.095 1.00 0.00 O ATOM 0 H GLU A 18 -4.531 0.356 -10.739 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.814 -0.366 -10.669 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.507 1.752 -11.943 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.778 2.033 -11.905 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.048 -0.493 -13.011 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.646 0.903 -13.991 1.00 0.00 H new ATOM 285 N PHE A 19 -2.571 2.432 -9.068 1.00 0.00 N ATOM 286 CA PHE A 19 -2.091 3.375 -8.060 1.00 0.00 C ATOM 287 C PHE A 19 -1.526 2.645 -6.845 1.00 0.00 C ATOM 288 O PHE A 19 -0.429 2.952 -6.378 1.00 0.00 O ATOM 289 CB PHE A 19 -3.222 4.309 -7.627 1.00 0.00 C ATOM 290 CG PHE A 19 -2.787 5.365 -6.651 1.00 0.00 C ATOM 291 CD1 PHE A 19 -2.707 5.085 -5.296 1.00 0.00 C ATOM 292 CD2 PHE A 19 -2.461 6.637 -7.089 1.00 0.00 C ATOM 293 CE1 PHE A 19 -2.309 6.056 -4.397 1.00 0.00 C ATOM 294 CE2 PHE A 19 -2.061 7.612 -6.194 1.00 0.00 C ATOM 295 CZ PHE A 19 -1.985 7.320 -4.846 1.00 0.00 C ATOM 0 H PHE A 19 -3.513 2.625 -9.409 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.290 3.964 -8.507 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.642 4.792 -8.510 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.020 3.717 -7.178 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.958 4.097 -4.939 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.520 6.870 -8.142 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -2.252 5.826 -3.343 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.808 8.600 -6.548 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.673 8.080 -4.145 1.00 0.00 H new ATOM 305 N VAL A 20 -2.280 1.677 -6.336 1.00 0.00 N ATOM 306 CA VAL A 20 -1.848 0.905 -5.178 1.00 0.00 C ATOM 307 C VAL A 20 -0.576 0.123 -5.490 1.00 0.00 C ATOM 308 O VAL A 20 0.421 0.226 -4.774 1.00 0.00 O ATOM 309 CB VAL A 20 -2.942 -0.074 -4.713 1.00 0.00 C ATOM 310 CG1 VAL A 20 -2.539 -0.751 -3.411 1.00 0.00 C ATOM 311 CG2 VAL A 20 -4.274 0.646 -4.557 1.00 0.00 C ATOM 0 H VAL A 20 -3.192 1.409 -6.707 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.649 1.616 -4.376 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.058 -0.845 -5.475 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.325 -1.439 -3.100 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.612 -1.304 -3.560 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.391 0.004 -2.639 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.034 -0.062 -4.228 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.174 1.440 -3.817 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.569 1.076 -5.514 1.00 0.00 H new ATOM 321 N THR A 21 -0.617 -0.654 -6.567 1.00 0.00 N ATOM 322 CA THR A 21 0.534 -1.450 -6.977 1.00 0.00 C ATOM 323 C THR A 21 1.733 -0.553 -7.268 1.00 0.00 C ATOM 324 O THR A 21 2.881 -0.954 -7.077 1.00 0.00 O ATOM 325 CB THR A 21 0.192 -2.282 -8.215 1.00 0.00 C ATOM 326 OG1 THR A 21 -0.914 -3.129 -7.959 1.00 0.00 O ATOM 327 CG2 THR A 21 1.337 -3.151 -8.687 1.00 0.00 C ATOM 0 H THR A 21 -1.433 -0.749 -7.171 1.00 0.00 H new ATOM 0 HA THR A 21 0.792 -2.122 -6.159 1.00 0.00 H new ATOM 0 HB THR A 21 -0.038 -1.557 -8.996 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.744 -2.613 -8.027 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.027 -3.714 -9.567 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.191 -2.522 -8.940 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.619 -3.844 -7.894 1.00 0.00 H new ATOM 335 N ALA A 22 1.459 0.665 -7.726 1.00 0.00 N ATOM 336 CA ALA A 22 2.516 1.620 -8.038 1.00 0.00 C ATOM 337 C ALA A 22 3.381 1.889 -6.814 1.00 0.00 C ATOM 338 O ALA A 22 4.609 1.910 -6.901 1.00 0.00 O ATOM 339 CB ALA A 22 1.919 2.918 -8.564 1.00 0.00 C ATOM 0 H ALA A 22 0.514 1.013 -7.889 1.00 0.00 H new ATOM 0 HA ALA A 22 3.149 1.188 -8.813 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.720 3.621 -8.792 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.346 2.715 -9.469 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.263 3.349 -7.808 1.00 0.00 H new ATOM 345 N LYS A 23 2.732 2.090 -5.672 1.00 0.00 N ATOM 346 CA LYS A 23 3.445 2.352 -4.428 1.00 0.00 C ATOM 347 C LYS A 23 4.263 1.137 -4.013 1.00 0.00 C ATOM 348 O LYS A 23 5.475 1.227 -3.816 1.00 0.00 O ATOM 349 CB LYS A 23 2.463 2.717 -3.314 1.00 0.00 C ATOM 350 CG LYS A 23 1.849 4.099 -3.458 1.00 0.00 C ATOM 351 CD LYS A 23 2.902 5.195 -3.370 1.00 0.00 C ATOM 352 CE LYS A 23 2.719 6.233 -4.465 1.00 0.00 C ATOM 353 NZ LYS A 23 3.943 7.059 -4.660 1.00 0.00 N ATOM 0 H LYS A 23 1.716 2.076 -5.582 1.00 0.00 H new ATOM 0 HA LYS A 23 4.120 3.192 -4.596 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.664 1.976 -3.292 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.979 2.658 -2.356 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.330 4.169 -4.414 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.102 4.248 -2.678 1.00 0.00 H new ATOM 0 HD2 LYS A 23 2.844 5.679 -2.395 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.896 4.754 -3.448 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.466 5.733 -5.400 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.880 6.882 -4.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.776 7.754 -5.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.171 7.557 -3.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.738 6.444 -4.926 1.00 0.00 H new ATOM 367 N PHE A 24 3.590 -0.004 -3.883 1.00 0.00 N ATOM 368 CA PHE A 24 4.253 -1.244 -3.491 1.00 0.00 C ATOM 369 C PHE A 24 5.516 -1.474 -4.315 1.00 0.00 C ATOM 370 O PHE A 24 6.568 -1.808 -3.775 1.00 0.00 O ATOM 371 CB PHE A 24 3.300 -2.430 -3.648 1.00 0.00 C ATOM 372 CG PHE A 24 2.576 -2.787 -2.380 1.00 0.00 C ATOM 373 CD1 PHE A 24 1.365 -2.189 -2.065 1.00 0.00 C ATOM 374 CD2 PHE A 24 3.108 -3.717 -1.501 1.00 0.00 C ATOM 375 CE1 PHE A 24 0.699 -2.513 -0.899 1.00 0.00 C ATOM 376 CE2 PHE A 24 2.446 -4.045 -0.333 1.00 0.00 C ATOM 377 CZ PHE A 24 1.240 -3.443 -0.032 1.00 0.00 C ATOM 0 H PHE A 24 2.587 -0.095 -4.043 1.00 0.00 H new ATOM 0 HA PHE A 24 4.540 -1.156 -2.443 1.00 0.00 H new ATOM 0 HB2 PHE A 24 2.569 -2.199 -4.422 1.00 0.00 H new ATOM 0 HB3 PHE A 24 3.864 -3.297 -3.992 1.00 0.00 H new ATOM 0 HD1 PHE A 24 0.938 -1.462 -2.739 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.051 -4.191 -1.731 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -0.243 -2.040 -0.665 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.871 -4.771 0.344 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.721 -3.699 0.880 1.00 0.00 H new ATOM 387 N ALA A 25 5.403 -1.290 -5.629 1.00 0.00 N ATOM 388 CA ALA A 25 6.539 -1.473 -6.527 1.00 0.00 C ATOM 389 C ALA A 25 7.754 -0.687 -6.043 1.00 0.00 C ATOM 390 O ALA A 25 8.829 -1.251 -5.838 1.00 0.00 O ATOM 391 CB ALA A 25 6.165 -1.055 -7.941 1.00 0.00 C ATOM 0 H ALA A 25 4.538 -1.015 -6.094 1.00 0.00 H new ATOM 0 HA ALA A 25 6.802 -2.531 -6.530 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.021 -1.196 -8.601 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.332 -1.664 -8.292 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.874 -0.005 -7.945 1.00 0.00 H new ATOM 397 N LYS A 26 7.573 0.618 -5.859 1.00 0.00 N ATOM 398 CA LYS A 26 8.655 1.482 -5.396 1.00 0.00 C ATOM 399 C LYS A 26 9.225 0.981 -4.071 1.00 0.00 C ATOM 400 O LYS A 26 10.389 1.223 -3.755 1.00 0.00 O ATOM 401 CB LYS A 26 8.154 2.919 -5.239 1.00 0.00 C ATOM 402 CG LYS A 26 9.153 3.966 -5.707 1.00 0.00 C ATOM 403 CD LYS A 26 9.895 4.591 -4.537 1.00 0.00 C ATOM 404 CE LYS A 26 9.056 5.655 -3.850 1.00 0.00 C ATOM 405 NZ LYS A 26 9.878 6.820 -3.419 1.00 0.00 N ATOM 0 H LYS A 26 6.689 1.100 -6.023 1.00 0.00 H new ATOM 0 HA LYS A 26 9.449 1.460 -6.142 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.228 3.036 -5.802 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.915 3.099 -4.191 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.868 3.508 -6.390 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.632 4.743 -6.266 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.162 3.816 -3.818 1.00 0.00 H new ATOM 0 HD3 LYS A 26 10.827 5.033 -4.890 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.274 5.994 -4.529 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.559 5.221 -2.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.268 7.523 -2.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.609 6.501 -2.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.332 7.251 -4.250 1.00 0.00 H new ATOM 419 N LEU A 27 8.398 0.277 -3.304 1.00 0.00 N ATOM 420 CA LEU A 27 8.824 -0.264 -2.017 1.00 0.00 C ATOM 421 C LEU A 27 9.563 -1.586 -2.202 1.00 0.00 C ATOM 422 O LEU A 27 10.396 -1.967 -1.381 1.00 0.00 O ATOM 423 CB LEU A 27 7.617 -0.464 -1.098 1.00 0.00 C ATOM 424 CG LEU A 27 7.201 0.771 -0.293 1.00 0.00 C ATOM 425 CD1 LEU A 27 6.891 1.936 -1.219 1.00 0.00 C ATOM 426 CD2 LEU A 27 6.002 0.451 0.587 1.00 0.00 C ATOM 0 H LEU A 27 7.431 0.068 -3.550 1.00 0.00 H new ATOM 0 HA LEU A 27 9.505 0.452 -1.557 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.769 -0.787 -1.702 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.840 -1.274 -0.403 1.00 0.00 H new ATOM 0 HG LEU A 27 8.033 1.060 0.349 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.598 2.803 -0.627 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.777 2.180 -1.806 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.076 1.661 -1.889 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.719 1.339 1.153 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.166 0.136 -0.038 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.261 -0.352 1.277 1.00 0.00 H new ATOM 438 N GLU A 28 9.252 -2.277 -3.295 1.00 0.00 N ATOM 439 CA GLU A 28 9.879 -3.556 -3.609 1.00 0.00 C ATOM 440 C GLU A 28 11.382 -3.406 -3.839 1.00 0.00 C ATOM 441 O GLU A 28 12.111 -4.398 -3.876 1.00 0.00 O ATOM 442 CB GLU A 28 9.224 -4.173 -4.848 1.00 0.00 C ATOM 443 CG GLU A 28 9.716 -5.578 -5.160 1.00 0.00 C ATOM 444 CD GLU A 28 10.629 -5.621 -6.369 1.00 0.00 C ATOM 445 OE1 GLU A 28 10.113 -5.767 -7.497 1.00 0.00 O ATOM 446 OE2 GLU A 28 11.859 -5.508 -6.188 1.00 0.00 O ATOM 0 H GLU A 28 8.564 -1.969 -3.982 1.00 0.00 H new ATOM 0 HA GLU A 28 9.734 -4.214 -2.752 1.00 0.00 H new ATOM 0 HB2 GLU A 28 8.144 -4.199 -4.703 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.415 -3.531 -5.708 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.247 -5.974 -4.294 1.00 0.00 H new ATOM 0 HG3 GLU A 28 8.859 -6.229 -5.333 1.00 0.00 H new ATOM 453 N GLN A 29 11.844 -2.168 -3.994 1.00 0.00 N ATOM 454 CA GLN A 29 13.260 -1.907 -4.221 1.00 0.00 C ATOM 455 C GLN A 29 14.077 -2.131 -2.950 1.00 0.00 C ATOM 456 O GLN A 29 15.091 -2.829 -2.971 1.00 0.00 O ATOM 457 CB GLN A 29 13.460 -0.474 -4.720 1.00 0.00 C ATOM 458 CG GLN A 29 14.891 -0.166 -5.127 1.00 0.00 C ATOM 459 CD GLN A 29 15.010 1.135 -5.896 1.00 0.00 C ATOM 460 OE1 GLN A 29 15.453 1.153 -7.045 1.00 0.00 O ATOM 461 NE2 GLN A 29 14.616 2.234 -5.265 1.00 0.00 N ATOM 0 H GLN A 29 11.259 -1.333 -3.966 1.00 0.00 H new ATOM 0 HA GLN A 29 13.611 -2.607 -4.980 1.00 0.00 H new ATOM 0 HB2 GLN A 29 12.803 -0.300 -5.572 1.00 0.00 H new ATOM 0 HB3 GLN A 29 13.156 0.220 -3.937 1.00 0.00 H new ATOM 0 HG2 GLN A 29 15.516 -0.115 -4.235 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.275 -0.982 -5.739 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.255 2.174 -4.313 1.00 0.00 H new ATOM 0 HE22 GLN A 29 14.674 3.139 -5.732 1.00 0.00 H new ATOM 470 N TYR A 30 13.638 -1.529 -1.847 1.00 0.00 N ATOM 471 CA TYR A 30 14.347 -1.665 -0.577 1.00 0.00 C ATOM 472 C TYR A 30 13.706 -2.724 0.319 1.00 0.00 C ATOM 473 O TYR A 30 14.376 -3.308 1.171 1.00 0.00 O ATOM 474 CB TYR A 30 14.412 -0.323 0.160 1.00 0.00 C ATOM 475 CG TYR A 30 13.164 0.524 0.028 1.00 0.00 C ATOM 476 CD1 TYR A 30 11.949 0.091 0.541 1.00 0.00 C ATOM 477 CD2 TYR A 30 13.205 1.760 -0.604 1.00 0.00 C ATOM 478 CE1 TYR A 30 10.810 0.865 0.427 1.00 0.00 C ATOM 479 CE2 TYR A 30 12.071 2.540 -0.723 1.00 0.00 C ATOM 480 CZ TYR A 30 10.877 2.088 -0.205 1.00 0.00 C ATOM 481 OH TYR A 30 9.744 2.862 -0.318 1.00 0.00 O ATOM 0 H TYR A 30 12.801 -0.947 -1.806 1.00 0.00 H new ATOM 0 HA TYR A 30 15.361 -1.989 -0.810 1.00 0.00 H new ATOM 0 HB2 TYR A 30 14.598 -0.512 1.217 1.00 0.00 H new ATOM 0 HB3 TYR A 30 15.263 0.244 -0.217 1.00 0.00 H new ATOM 0 HD1 TYR A 30 11.893 -0.867 1.037 1.00 0.00 H new ATOM 0 HD2 TYR A 30 14.140 2.118 -1.010 1.00 0.00 H new ATOM 0 HE1 TYR A 30 9.872 0.513 0.831 1.00 0.00 H new ATOM 0 HE2 TYR A 30 12.120 3.498 -1.219 1.00 0.00 H new ATOM 0 HH TYR A 30 9.962 3.694 -0.788 1.00 0.00 H new ATOM 491 N PHE A 31 12.414 -2.974 0.129 1.00 0.00 N ATOM 492 CA PHE A 31 11.711 -3.970 0.935 1.00 0.00 C ATOM 493 C PHE A 31 11.664 -5.317 0.222 1.00 0.00 C ATOM 494 O PHE A 31 11.081 -5.443 -0.856 1.00 0.00 O ATOM 495 CB PHE A 31 10.288 -3.504 1.254 1.00 0.00 C ATOM 496 CG PHE A 31 10.216 -2.316 2.176 1.00 0.00 C ATOM 497 CD1 PHE A 31 11.236 -2.045 3.077 1.00 0.00 C ATOM 498 CD2 PHE A 31 9.119 -1.470 2.141 1.00 0.00 C ATOM 499 CE1 PHE A 31 11.161 -0.954 3.922 1.00 0.00 C ATOM 500 CE2 PHE A 31 9.039 -0.377 2.982 1.00 0.00 C ATOM 501 CZ PHE A 31 10.061 -0.119 3.874 1.00 0.00 C ATOM 0 H PHE A 31 11.836 -2.506 -0.569 1.00 0.00 H new ATOM 0 HA PHE A 31 12.262 -4.088 1.868 1.00 0.00 H new ATOM 0 HB2 PHE A 31 9.782 -3.256 0.321 1.00 0.00 H new ATOM 0 HB3 PHE A 31 9.740 -4.332 1.704 1.00 0.00 H new ATOM 0 HD1 PHE A 31 12.098 -2.694 3.118 1.00 0.00 H new ATOM 0 HD2 PHE A 31 8.316 -1.668 1.447 1.00 0.00 H new ATOM 0 HE1 PHE A 31 11.961 -0.754 4.619 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.179 0.275 2.942 1.00 0.00 H new ATOM 0 HZ PHE A 31 10.001 0.734 4.533 1.00 0.00 H new ATOM 511 N ASP A 32 12.278 -6.324 0.836 1.00 0.00 N ATOM 512 CA ASP A 32 12.305 -7.668 0.270 1.00 0.00 C ATOM 513 C ASP A 32 11.431 -8.631 1.074 1.00 0.00 C ATOM 514 O ASP A 32 11.232 -9.779 0.676 1.00 0.00 O ATOM 515 CB ASP A 32 13.741 -8.191 0.218 1.00 0.00 C ATOM 516 CG ASP A 32 14.031 -8.959 -1.058 1.00 0.00 C ATOM 517 OD1 ASP A 32 13.611 -10.132 -1.153 1.00 0.00 O ATOM 518 OD2 ASP A 32 14.677 -8.387 -1.961 1.00 0.00 O ATOM 0 H ASP A 32 12.765 -6.234 1.728 1.00 0.00 H new ATOM 0 HA ASP A 32 11.904 -7.610 -0.742 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.433 -7.353 0.300 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.921 -8.838 1.077 1.00 0.00 H new ATOM 523 N ARG A 33 10.918 -8.166 2.213 1.00 0.00 N ATOM 524 CA ARG A 33 10.076 -8.999 3.069 1.00 0.00 C ATOM 525 C ARG A 33 8.601 -8.860 2.699 1.00 0.00 C ATOM 526 O ARG A 33 7.748 -8.672 3.567 1.00 0.00 O ATOM 527 CB ARG A 33 10.279 -8.629 4.542 1.00 0.00 C ATOM 528 CG ARG A 33 11.720 -8.300 4.903 1.00 0.00 C ATOM 529 CD ARG A 33 12.557 -9.558 5.070 1.00 0.00 C ATOM 530 NE ARG A 33 13.178 -9.974 3.816 1.00 0.00 N ATOM 531 CZ ARG A 33 14.266 -10.738 3.742 1.00 0.00 C ATOM 532 NH1 ARG A 33 14.857 -11.173 4.847 1.00 0.00 N ATOM 533 NH2 ARG A 33 14.764 -11.068 2.558 1.00 0.00 N ATOM 0 H ARG A 33 11.070 -7.220 2.563 1.00 0.00 H new ATOM 0 HA ARG A 33 10.372 -10.037 2.916 1.00 0.00 H new ATOM 0 HB2 ARG A 33 9.650 -7.771 4.781 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.939 -9.457 5.164 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.156 -7.673 4.126 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.741 -7.723 5.827 1.00 0.00 H new ATOM 0 HD2 ARG A 33 13.331 -9.381 5.817 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.928 -10.364 5.448 1.00 0.00 H new ATOM 0 HE ARG A 33 12.753 -9.660 2.944 1.00 0.00 H new ATOM 0 HH11 ARG A 33 14.478 -10.923 5.760 1.00 0.00 H new ATOM 0 HH12 ARG A 33 15.690 -11.758 4.783 1.00 0.00 H new ATOM 0 HH21 ARG A 33 14.314 -10.737 1.705 1.00 0.00 H new ATOM 0 HH22 ARG A 33 15.597 -11.653 2.500 1.00 0.00 H new ATOM 547 N ILE A 34 8.305 -8.960 1.407 1.00 0.00 N ATOM 548 CA ILE A 34 6.932 -8.852 0.926 1.00 0.00 C ATOM 549 C ILE A 34 6.621 -9.962 -0.075 1.00 0.00 C ATOM 550 O ILE A 34 7.103 -9.942 -1.206 1.00 0.00 O ATOM 551 CB ILE A 34 6.672 -7.483 0.260 1.00 0.00 C ATOM 552 CG1 ILE A 34 6.998 -6.342 1.227 1.00 0.00 C ATOM 553 CG2 ILE A 34 5.225 -7.385 -0.206 1.00 0.00 C ATOM 554 CD1 ILE A 34 7.703 -5.177 0.569 1.00 0.00 C ATOM 0 H ILE A 34 8.997 -9.116 0.674 1.00 0.00 H new ATOM 0 HA ILE A 34 6.280 -8.950 1.794 1.00 0.00 H new ATOM 0 HB ILE A 34 7.324 -7.395 -0.609 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.074 -5.987 1.682 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.623 -6.727 2.033 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.058 -6.414 -0.673 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.021 -8.175 -0.929 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.559 -7.495 0.650 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.903 -4.406 1.313 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.644 -5.518 0.138 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.071 -4.767 -0.218 1.00 0.00 H new ATOM 566 N ASN A 35 5.814 -10.930 0.351 1.00 0.00 N ATOM 567 CA ASN A 35 5.443 -12.048 -0.512 1.00 0.00 C ATOM 568 C ASN A 35 3.959 -12.003 -0.864 1.00 0.00 C ATOM 569 O ASN A 35 3.591 -12.022 -2.039 1.00 0.00 O ATOM 570 CB ASN A 35 5.779 -13.379 0.164 1.00 0.00 C ATOM 571 CG ASN A 35 5.369 -13.411 1.624 1.00 0.00 C ATOM 572 OD1 ASN A 35 4.300 -13.915 1.969 1.00 0.00 O ATOM 573 ND2 ASN A 35 6.219 -12.871 2.490 1.00 0.00 N ATOM 0 H ASN A 35 5.406 -10.963 1.285 1.00 0.00 H new ATOM 0 HA ASN A 35 6.017 -11.962 -1.435 1.00 0.00 H new ATOM 0 HB2 ASN A 35 5.279 -14.189 -0.368 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.851 -13.561 0.087 1.00 0.00 H new ATOM 0 HD21 ASN A 35 5.997 -12.863 3.485 1.00 0.00 H new ATOM 0 HD22 ASN A 35 7.094 -12.464 2.160 1.00 0.00 H new ATOM 580 N GLN A 36 3.109 -11.941 0.158 1.00 0.00 N ATOM 581 CA GLN A 36 1.666 -11.891 -0.052 1.00 0.00 C ATOM 582 C GLN A 36 1.055 -10.694 0.664 1.00 0.00 C ATOM 583 O GLN A 36 1.099 -10.605 1.891 1.00 0.00 O ATOM 584 CB GLN A 36 1.009 -13.179 0.448 1.00 0.00 C ATOM 585 CG GLN A 36 -0.489 -13.235 0.199 1.00 0.00 C ATOM 586 CD GLN A 36 -0.884 -14.352 -0.748 1.00 0.00 C ATOM 587 OE1 GLN A 36 -1.019 -15.506 -0.342 1.00 0.00 O ATOM 588 NE2 GLN A 36 -1.070 -14.014 -2.018 1.00 0.00 N ATOM 0 H GLN A 36 3.394 -11.924 1.137 1.00 0.00 H new ATOM 0 HA GLN A 36 1.486 -11.789 -1.122 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.482 -14.031 -0.040 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.195 -13.280 1.517 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -1.006 -13.370 1.149 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.821 -12.282 -0.212 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -0.947 -13.045 -2.311 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -1.336 -14.724 -2.701 1.00 0.00 H new ATOM 597 N VAL A 37 0.485 -9.775 -0.106 1.00 0.00 N ATOM 598 CA VAL A 37 -0.134 -8.585 0.461 1.00 0.00 C ATOM 599 C VAL A 37 -1.567 -8.427 -0.031 1.00 0.00 C ATOM 600 O VAL A 37 -1.843 -8.563 -1.223 1.00 0.00 O ATOM 601 CB VAL A 37 0.655 -7.308 0.102 1.00 0.00 C ATOM 602 CG1 VAL A 37 0.299 -6.177 1.056 1.00 0.00 C ATOM 603 CG2 VAL A 37 2.153 -7.575 0.114 1.00 0.00 C ATOM 0 H VAL A 37 0.439 -9.831 -1.123 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.129 -8.716 1.543 1.00 0.00 H new ATOM 0 HB VAL A 37 0.376 -7.006 -0.908 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.864 -5.284 0.789 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.768 -5.965 0.987 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.546 -6.471 2.076 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.688 -6.660 -0.142 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.456 -7.906 1.107 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.390 -8.350 -0.615 1.00 0.00 H new ATOM 613 N TYR A 38 -2.474 -8.130 0.892 1.00 0.00 N ATOM 614 CA TYR A 38 -3.879 -7.940 0.549 1.00 0.00 C ATOM 615 C TYR A 38 -4.396 -6.625 1.118 1.00 0.00 C ATOM 616 O TYR A 38 -4.250 -6.348 2.308 1.00 0.00 O ATOM 617 CB TYR A 38 -4.728 -9.115 1.046 1.00 0.00 C ATOM 618 CG TYR A 38 -4.250 -9.727 2.345 1.00 0.00 C ATOM 619 CD1 TYR A 38 -3.053 -10.433 2.403 1.00 0.00 C ATOM 620 CD2 TYR A 38 -4.997 -9.606 3.509 1.00 0.00 C ATOM 621 CE1 TYR A 38 -2.616 -10.999 3.585 1.00 0.00 C ATOM 622 CE2 TYR A 38 -4.565 -10.169 4.696 1.00 0.00 C ATOM 623 CZ TYR A 38 -3.375 -10.864 4.727 1.00 0.00 C ATOM 624 OH TYR A 38 -2.941 -11.427 5.907 1.00 0.00 O ATOM 0 H TYR A 38 -2.262 -8.015 1.883 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.960 -7.901 -0.537 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.756 -8.776 1.175 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.742 -9.888 0.278 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.456 -10.540 1.510 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.931 -9.063 3.487 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.684 -11.544 3.614 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -5.157 -10.065 5.594 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.590 -11.240 6.617 1.00 0.00 H new ATOM 634 N VAL A 39 -4.990 -5.813 0.250 1.00 0.00 N ATOM 635 CA VAL A 39 -5.521 -4.516 0.652 1.00 0.00 C ATOM 636 C VAL A 39 -7.011 -4.405 0.346 1.00 0.00 C ATOM 637 O VAL A 39 -7.495 -4.946 -0.649 1.00 0.00 O ATOM 638 CB VAL A 39 -4.778 -3.365 -0.055 1.00 0.00 C ATOM 639 CG1 VAL A 39 -5.128 -2.027 0.579 1.00 0.00 C ATOM 640 CG2 VAL A 39 -3.274 -3.599 -0.022 1.00 0.00 C ATOM 0 H VAL A 39 -5.116 -6.031 -0.738 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.370 -4.435 1.729 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.098 -3.341 -1.097 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.592 -1.229 0.064 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.201 -1.855 0.497 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.841 -2.037 1.631 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.767 -2.776 -0.526 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.937 -3.654 1.013 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.040 -4.535 -0.530 1.00 0.00 H new ATOM 650 N VAL A 40 -7.730 -3.692 1.207 1.00 0.00 N ATOM 651 CA VAL A 40 -9.163 -3.497 1.031 1.00 0.00 C ATOM 652 C VAL A 40 -9.559 -2.077 1.399 1.00 0.00 C ATOM 653 O VAL A 40 -9.120 -1.537 2.414 1.00 0.00 O ATOM 654 CB VAL A 40 -9.982 -4.489 1.878 1.00 0.00 C ATOM 655 CG1 VAL A 40 -11.462 -4.383 1.548 1.00 0.00 C ATOM 656 CG2 VAL A 40 -9.480 -5.909 1.667 1.00 0.00 C ATOM 0 H VAL A 40 -7.342 -3.239 2.035 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.383 -3.678 -0.021 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.852 -4.234 2.930 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.022 -5.092 2.157 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -11.810 -3.371 1.757 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.617 -4.610 0.493 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.070 -6.597 2.273 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.578 -6.177 0.615 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.433 -5.972 1.962 1.00 0.00 H new ATOM 666 N LEU A 41 -10.373 -1.470 0.549 1.00 0.00 N ATOM 667 CA LEU A 41 -10.814 -0.104 0.757 1.00 0.00 C ATOM 668 C LEU A 41 -12.326 0.034 0.598 1.00 0.00 C ATOM 669 O LEU A 41 -12.901 -0.392 -0.401 1.00 0.00 O ATOM 670 CB LEU A 41 -10.083 0.830 -0.216 1.00 0.00 C ATOM 671 CG LEU A 41 -9.747 0.227 -1.589 1.00 0.00 C ATOM 672 CD1 LEU A 41 -8.750 -0.916 -1.454 1.00 0.00 C ATOM 673 CD2 LEU A 41 -11.010 -0.237 -2.299 1.00 0.00 C ATOM 0 H LEU A 41 -10.742 -1.907 -0.295 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.570 0.178 1.781 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -10.696 1.718 -0.369 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.156 1.160 0.253 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.284 1.006 -2.195 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.529 -1.325 -2.440 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.831 -0.545 -1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.175 -1.697 -0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.748 -0.660 -3.269 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.509 -0.995 -1.695 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.679 0.611 -2.442 1.00 0.00 H new ATOM 685 N LYS A 42 -12.960 0.640 1.596 1.00 0.00 N ATOM 686 CA LYS A 42 -14.402 0.847 1.571 1.00 0.00 C ATOM 687 C LYS A 42 -14.720 2.287 1.182 1.00 0.00 C ATOM 688 O LYS A 42 -14.182 3.231 1.762 1.00 0.00 O ATOM 689 CB LYS A 42 -15.014 0.505 2.937 1.00 0.00 C ATOM 690 CG LYS A 42 -16.425 1.041 3.135 1.00 0.00 C ATOM 691 CD LYS A 42 -17.040 0.525 4.426 1.00 0.00 C ATOM 692 CE LYS A 42 -16.474 1.243 5.642 1.00 0.00 C ATOM 693 NZ LYS A 42 -16.056 0.288 6.706 1.00 0.00 N ATOM 0 H LYS A 42 -12.497 0.996 2.432 1.00 0.00 H new ATOM 0 HA LYS A 42 -14.840 0.184 0.825 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -15.028 -0.578 3.056 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.371 0.904 3.722 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -16.403 2.131 3.151 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -17.049 0.748 2.291 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -18.121 0.660 4.394 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -16.855 -0.545 4.516 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -15.619 1.848 5.341 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -17.223 1.926 6.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -15.676 0.817 7.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.877 -0.272 7.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -15.323 -0.348 6.333 1.00 0.00 H new ATOM 707 N VAL A 43 -15.589 2.447 0.191 1.00 0.00 N ATOM 708 CA VAL A 43 -15.971 3.770 -0.285 1.00 0.00 C ATOM 709 C VAL A 43 -17.433 4.073 0.020 1.00 0.00 C ATOM 710 O VAL A 43 -18.339 3.488 -0.573 1.00 0.00 O ATOM 711 CB VAL A 43 -15.735 3.909 -1.801 1.00 0.00 C ATOM 712 CG1 VAL A 43 -16.011 5.332 -2.261 1.00 0.00 C ATOM 713 CG2 VAL A 43 -14.316 3.491 -2.158 1.00 0.00 C ATOM 0 H VAL A 43 -16.043 1.676 -0.299 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.342 4.486 0.244 1.00 0.00 H new ATOM 0 HB VAL A 43 -16.428 3.247 -2.320 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -15.838 5.407 -3.335 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -17.047 5.591 -2.041 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -15.346 6.019 -1.737 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -14.165 3.595 -3.233 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -13.606 4.126 -1.629 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -14.159 2.452 -1.869 1.00 0.00 H new ATOM 723 N GLU A 44 -17.655 5.004 0.943 1.00 0.00 N ATOM 724 CA GLU A 44 -19.005 5.401 1.322 1.00 0.00 C ATOM 725 C GLU A 44 -19.121 6.920 1.366 1.00 0.00 C ATOM 726 O GLU A 44 -18.137 7.622 1.596 1.00 0.00 O ATOM 727 CB GLU A 44 -19.382 4.803 2.679 1.00 0.00 C ATOM 728 CG GLU A 44 -18.329 5.009 3.754 1.00 0.00 C ATOM 729 CD GLU A 44 -18.798 4.561 5.124 1.00 0.00 C ATOM 730 OE1 GLU A 44 -20.026 4.468 5.329 1.00 0.00 O ATOM 731 OE2 GLU A 44 -17.937 4.303 5.992 1.00 0.00 O ATOM 0 H GLU A 44 -16.915 5.498 1.442 1.00 0.00 H new ATOM 0 HA GLU A 44 -19.697 5.019 0.571 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -20.320 5.246 3.013 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -19.560 3.734 2.558 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -17.428 4.458 3.485 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -18.058 6.064 3.794 1.00 0.00 H new ATOM 738 N LYS A 45 -20.328 7.422 1.133 1.00 0.00 N ATOM 739 CA LYS A 45 -20.577 8.860 1.132 1.00 0.00 C ATOM 740 C LYS A 45 -20.093 9.523 2.421 1.00 0.00 C ATOM 741 O LYS A 45 -19.877 10.735 2.458 1.00 0.00 O ATOM 742 CB LYS A 45 -22.069 9.137 0.938 1.00 0.00 C ATOM 743 CG LYS A 45 -22.360 10.503 0.333 1.00 0.00 C ATOM 744 CD LYS A 45 -23.434 11.245 1.114 1.00 0.00 C ATOM 745 CE LYS A 45 -24.331 12.057 0.195 1.00 0.00 C ATOM 746 NZ LYS A 45 -25.653 12.340 0.818 1.00 0.00 N ATOM 0 H LYS A 45 -21.153 6.853 0.942 1.00 0.00 H new ATOM 0 HA LYS A 45 -20.013 9.288 0.303 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -22.493 8.366 0.295 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -22.573 9.061 1.902 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -21.446 11.096 0.317 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -22.680 10.382 -0.702 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -24.037 10.530 1.674 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -22.964 11.906 1.843 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -23.839 12.997 -0.055 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -24.478 11.516 -0.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -26.235 12.896 0.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -26.134 11.444 1.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -25.514 12.879 1.697 1.00 0.00 H new ATOM 760 N VAL A 46 -19.930 8.733 3.481 1.00 0.00 N ATOM 761 CA VAL A 46 -19.479 9.267 4.761 1.00 0.00 C ATOM 762 C VAL A 46 -17.953 9.354 4.831 1.00 0.00 C ATOM 763 O VAL A 46 -17.373 10.405 4.554 1.00 0.00 O ATOM 764 CB VAL A 46 -20.010 8.423 5.938 1.00 0.00 C ATOM 765 CG1 VAL A 46 -19.549 8.997 7.271 1.00 0.00 C ATOM 766 CG2 VAL A 46 -21.528 8.334 5.884 1.00 0.00 C ATOM 0 H VAL A 46 -20.103 7.728 3.478 1.00 0.00 H new ATOM 0 HA VAL A 46 -19.884 10.276 4.842 1.00 0.00 H new ATOM 0 HB VAL A 46 -19.602 7.416 5.849 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -19.937 8.384 8.085 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -18.460 9.002 7.308 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -19.920 10.016 7.376 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -21.887 7.735 6.721 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -21.954 9.336 5.945 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -21.832 7.867 4.947 1.00 0.00 H new ATOM 776 N THR A 47 -17.303 8.253 5.205 1.00 0.00 N ATOM 777 CA THR A 47 -15.847 8.227 5.310 1.00 0.00 C ATOM 778 C THR A 47 -15.257 7.042 4.550 1.00 0.00 C ATOM 779 O THR A 47 -15.915 6.019 4.369 1.00 0.00 O ATOM 780 CB THR A 47 -15.424 8.163 6.778 1.00 0.00 C ATOM 781 OG1 THR A 47 -16.036 9.202 7.523 1.00 0.00 O ATOM 782 CG2 THR A 47 -13.927 8.278 6.976 1.00 0.00 C ATOM 0 H THR A 47 -17.760 7.372 5.439 1.00 0.00 H new ATOM 0 HA THR A 47 -15.464 9.144 4.863 1.00 0.00 H new ATOM 0 HB THR A 47 -15.747 7.182 7.128 1.00 0.00 H new ATOM 0 HG1 THR A 47 -15.754 9.143 8.460 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.696 8.225 8.040 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.427 7.461 6.455 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.579 9.230 6.576 1.00 0.00 H new ATOM 790 N HIS A 48 -14.010 7.187 4.114 1.00 0.00 N ATOM 791 CA HIS A 48 -13.328 6.125 3.380 1.00 0.00 C ATOM 792 C HIS A 48 -12.347 5.386 4.286 1.00 0.00 C ATOM 793 O HIS A 48 -11.583 6.007 5.023 1.00 0.00 O ATOM 794 CB HIS A 48 -12.592 6.705 2.171 1.00 0.00 C ATOM 795 CG HIS A 48 -13.461 7.546 1.290 1.00 0.00 C ATOM 796 ND1 HIS A 48 -13.493 7.414 -0.084 1.00 0.00 N ATOM 797 CD2 HIS A 48 -14.338 8.534 1.591 1.00 0.00 C ATOM 798 CE1 HIS A 48 -14.350 8.287 -0.587 1.00 0.00 C ATOM 799 NE2 HIS A 48 -14.875 8.976 0.407 1.00 0.00 N ATOM 0 H HIS A 48 -13.451 8.028 4.256 1.00 0.00 H new ATOM 0 HA HIS A 48 -14.078 5.415 3.031 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -11.753 7.306 2.521 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -12.175 5.887 1.583 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -14.571 8.905 2.578 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -14.581 8.414 -1.634 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -15.568 9.718 0.312 1.00 0.00 H new ATOM 808 N THR A 49 -12.377 4.057 4.228 1.00 0.00 N ATOM 809 CA THR A 49 -11.491 3.240 5.051 1.00 0.00 C ATOM 810 C THR A 49 -10.666 2.286 4.192 1.00 0.00 C ATOM 811 O THR A 49 -11.159 1.737 3.209 1.00 0.00 O ATOM 812 CB THR A 49 -12.302 2.446 6.075 1.00 0.00 C ATOM 813 OG1 THR A 49 -13.168 3.302 6.800 1.00 0.00 O ATOM 814 CG2 THR A 49 -11.441 1.707 7.077 1.00 0.00 C ATOM 0 H THR A 49 -13.002 3.525 3.622 1.00 0.00 H new ATOM 0 HA THR A 49 -10.808 3.909 5.574 1.00 0.00 H new ATOM 0 HB THR A 49 -12.864 1.714 5.495 1.00 0.00 H new ATOM 0 HG1 THR A 49 -13.680 2.776 7.449 1.00 0.00 H new ATOM 0 HG21 THR A 49 -12.079 1.164 7.775 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.795 1.003 6.552 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.828 2.421 7.627 1.00 0.00 H new ATOM 822 N SER A 50 -9.406 2.096 4.572 1.00 0.00 N ATOM 823 CA SER A 50 -8.510 1.208 3.838 1.00 0.00 C ATOM 824 C SER A 50 -7.663 0.371 4.793 1.00 0.00 C ATOM 825 O SER A 50 -7.300 0.828 5.877 1.00 0.00 O ATOM 826 CB SER A 50 -7.604 2.019 2.911 1.00 0.00 C ATOM 827 OG SER A 50 -6.936 3.048 3.620 1.00 0.00 O ATOM 0 H SER A 50 -8.982 2.545 5.384 1.00 0.00 H new ATOM 0 HA SER A 50 -9.121 0.532 3.240 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.871 1.360 2.446 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.198 2.454 2.107 1.00 0.00 H new ATOM 0 HG SER A 50 -7.097 2.941 4.581 1.00 0.00 H new ATOM 833 N ASP A 51 -7.349 -0.853 4.380 1.00 0.00 N ATOM 834 CA ASP A 51 -6.540 -1.754 5.195 1.00 0.00 C ATOM 835 C ASP A 51 -5.480 -2.448 4.343 1.00 0.00 C ATOM 836 O ASP A 51 -5.707 -2.727 3.166 1.00 0.00 O ATOM 837 CB ASP A 51 -7.429 -2.796 5.878 1.00 0.00 C ATOM 838 CG ASP A 51 -8.177 -3.666 4.887 1.00 0.00 C ATOM 839 OD1 ASP A 51 -7.532 -4.201 3.961 1.00 0.00 O ATOM 840 OD2 ASP A 51 -9.407 -3.815 5.040 1.00 0.00 O ATOM 0 H ASP A 51 -7.643 -1.244 3.485 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.037 -1.163 5.960 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.814 -3.428 6.519 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.146 -2.289 6.524 1.00 0.00 H new ATOM 845 N ALA A 52 -4.324 -2.720 4.940 1.00 0.00 N ATOM 846 CA ALA A 52 -3.239 -3.379 4.221 1.00 0.00 C ATOM 847 C ALA A 52 -2.448 -4.316 5.127 1.00 0.00 C ATOM 848 O ALA A 52 -1.728 -3.875 6.024 1.00 0.00 O ATOM 849 CB ALA A 52 -2.315 -2.343 3.600 1.00 0.00 C ATOM 0 H ALA A 52 -4.115 -2.496 5.913 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.685 -3.983 3.430 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.509 -2.847 3.066 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.879 -1.723 2.903 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.893 -1.715 4.385 1.00 0.00 H new ATOM 855 N THR A 53 -2.586 -5.616 4.880 1.00 0.00 N ATOM 856 CA THR A 53 -1.887 -6.627 5.665 1.00 0.00 C ATOM 857 C THR A 53 -0.709 -7.199 4.882 1.00 0.00 C ATOM 858 O THR A 53 -0.893 -7.857 3.858 1.00 0.00 O ATOM 859 CB THR A 53 -2.845 -7.751 6.059 1.00 0.00 C ATOM 860 OG1 THR A 53 -4.148 -7.244 6.286 1.00 0.00 O ATOM 861 CG2 THR A 53 -2.416 -8.493 7.307 1.00 0.00 C ATOM 0 H THR A 53 -3.178 -5.994 4.140 1.00 0.00 H new ATOM 0 HA THR A 53 -1.507 -6.152 6.569 1.00 0.00 H new ATOM 0 HB THR A 53 -2.834 -8.447 5.220 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.810 -7.870 5.924 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.139 -9.277 7.531 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.435 -8.940 7.146 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.365 -7.797 8.144 1.00 0.00 H new ATOM 869 N LEU A 54 0.502 -6.942 5.367 1.00 0.00 N ATOM 870 CA LEU A 54 1.709 -7.428 4.707 1.00 0.00 C ATOM 871 C LEU A 54 2.241 -8.686 5.386 1.00 0.00 C ATOM 872 O LEU A 54 2.143 -8.839 6.603 1.00 0.00 O ATOM 873 CB LEU A 54 2.787 -6.342 4.707 1.00 0.00 C ATOM 874 CG LEU A 54 2.595 -5.237 3.666 1.00 0.00 C ATOM 875 CD1 LEU A 54 1.255 -4.545 3.863 1.00 0.00 C ATOM 876 CD2 LEU A 54 3.733 -4.232 3.742 1.00 0.00 C ATOM 0 H LEU A 54 0.673 -6.400 6.214 1.00 0.00 H new ATOM 0 HA LEU A 54 1.450 -7.678 3.678 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.821 -5.886 5.696 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.756 -6.813 4.540 1.00 0.00 H new ATOM 0 HG LEU A 54 2.603 -5.691 2.675 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.136 -3.762 3.114 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.451 -5.273 3.758 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.217 -4.103 4.859 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.581 -3.453 2.995 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.756 -3.783 4.735 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.679 -4.738 3.551 1.00 0.00 H new ATOM 888 N HIS A 55 2.809 -9.583 4.585 1.00 0.00 N ATOM 889 CA HIS A 55 3.365 -10.830 5.101 1.00 0.00 C ATOM 890 C HIS A 55 4.842 -10.668 5.444 1.00 0.00 C ATOM 891 O HIS A 55 5.645 -10.262 4.604 1.00 0.00 O ATOM 892 CB HIS A 55 3.192 -11.956 4.079 1.00 0.00 C ATOM 893 CG HIS A 55 1.868 -12.649 4.165 1.00 0.00 C ATOM 894 ND1 HIS A 55 1.729 -14.018 4.078 1.00 0.00 N ATOM 895 CD2 HIS A 55 0.618 -12.156 4.335 1.00 0.00 C ATOM 896 CE1 HIS A 55 0.453 -14.337 4.189 1.00 0.00 C ATOM 897 NE2 HIS A 55 -0.243 -13.227 4.346 1.00 0.00 N ATOM 0 H HIS A 55 2.896 -9.469 3.575 1.00 0.00 H new ATOM 0 HA HIS A 55 2.823 -11.087 6.011 1.00 0.00 H new ATOM 0 HB2 HIS A 55 3.313 -11.546 3.076 1.00 0.00 H new ATOM 0 HB3 HIS A 55 3.986 -12.689 4.222 1.00 0.00 H new ATOM 0 HD1 HIS A 55 2.493 -14.681 3.948 1.00 0.00 H new ATOM 0 HD2 HIS A 55 0.348 -11.116 4.442 1.00 0.00 H new ATOM 0 HE1 HIS A 55 0.047 -15.337 4.157 1.00 0.00 H new ATOM 906 N VAL A 56 5.196 -10.994 6.684 1.00 0.00 N ATOM 907 CA VAL A 56 6.580 -10.889 7.136 1.00 0.00 C ATOM 908 C VAL A 56 7.232 -12.266 7.195 1.00 0.00 C ATOM 909 O VAL A 56 6.556 -13.288 7.081 1.00 0.00 O ATOM 910 CB VAL A 56 6.679 -10.221 8.525 1.00 0.00 C ATOM 911 CG1 VAL A 56 8.052 -9.597 8.721 1.00 0.00 C ATOM 912 CG2 VAL A 56 5.584 -9.178 8.708 1.00 0.00 C ATOM 0 H VAL A 56 4.545 -11.332 7.393 1.00 0.00 H new ATOM 0 HA VAL A 56 7.105 -10.265 6.413 1.00 0.00 H new ATOM 0 HB VAL A 56 6.539 -10.992 9.282 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.103 -9.131 9.705 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.817 -10.370 8.645 1.00 0.00 H new ATOM 0 HG13 VAL A 56 8.222 -8.842 7.953 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.676 -8.723 9.694 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.683 -8.408 7.942 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.608 -9.655 8.619 1.00 0.00 H new ATOM 922 N ASN A 57 8.552 -12.288 7.368 1.00 0.00 N ATOM 923 CA ASN A 57 9.299 -13.542 7.435 1.00 0.00 C ATOM 924 C ASN A 57 8.617 -14.551 8.358 1.00 0.00 C ATOM 925 O ASN A 57 8.206 -15.626 7.920 1.00 0.00 O ATOM 926 CB ASN A 57 10.727 -13.279 7.919 1.00 0.00 C ATOM 927 CG ASN A 57 11.658 -12.889 6.787 1.00 0.00 C ATOM 928 OD1 ASN A 57 11.218 -12.646 5.664 1.00 0.00 O ATOM 929 ND2 ASN A 57 12.952 -12.830 7.080 1.00 0.00 N ATOM 0 H ASN A 57 9.127 -11.451 7.464 1.00 0.00 H new ATOM 0 HA ASN A 57 9.327 -13.966 6.431 1.00 0.00 H new ATOM 0 HB2 ASN A 57 10.714 -12.485 8.665 1.00 0.00 H new ATOM 0 HB3 ASN A 57 11.112 -14.173 8.411 1.00 0.00 H new ATOM 0 HD21 ASN A 57 13.627 -12.575 6.359 1.00 0.00 H new ATOM 0 HD22 ASN A 57 13.271 -13.040 8.026 1.00 0.00 H new ATOM 936 N GLY A 58 8.504 -14.202 9.636 1.00 0.00 N ATOM 937 CA GLY A 58 7.875 -15.094 10.593 1.00 0.00 C ATOM 938 C GLY A 58 6.442 -14.708 10.902 1.00 0.00 C ATOM 939 O GLY A 58 5.535 -15.533 10.795 1.00 0.00 O ATOM 0 H GLY A 58 8.836 -13.320 10.025 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.896 -16.112 10.203 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.454 -15.095 11.517 1.00 0.00 H new ATOM 943 N GLY A 59 6.238 -13.455 11.292 1.00 0.00 N ATOM 944 CA GLY A 59 4.903 -12.989 11.618 1.00 0.00 C ATOM 945 C GLY A 59 4.252 -12.233 10.477 1.00 0.00 C ATOM 946 O GLY A 59 4.737 -12.260 9.347 1.00 0.00 O ATOM 0 H GLY A 59 6.973 -12.754 11.388 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.280 -13.843 11.885 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.952 -12.343 12.495 1.00 0.00 H new ATOM 950 N GLU A 60 3.149 -11.553 10.776 1.00 0.00 N ATOM 951 CA GLU A 60 2.426 -10.781 9.771 1.00 0.00 C ATOM 952 C GLU A 60 1.922 -9.467 10.361 1.00 0.00 C ATOM 953 O GLU A 60 1.387 -9.440 11.469 1.00 0.00 O ATOM 954 CB GLU A 60 1.250 -11.592 9.223 1.00 0.00 C ATOM 955 CG GLU A 60 1.658 -12.933 8.634 1.00 0.00 C ATOM 956 CD GLU A 60 0.489 -13.682 8.028 1.00 0.00 C ATOM 957 OE1 GLU A 60 -0.593 -13.704 8.655 1.00 0.00 O ATOM 958 OE2 GLU A 60 0.651 -14.247 6.926 1.00 0.00 O ATOM 0 H GLU A 60 2.736 -11.521 11.708 1.00 0.00 H new ATOM 0 HA GLU A 60 3.112 -10.556 8.955 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.531 -11.760 10.024 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.742 -11.007 8.456 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.419 -12.774 7.870 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.112 -13.545 9.413 1.00 0.00 H new ATOM 965 N ILE A 61 2.100 -8.380 9.618 1.00 0.00 N ATOM 966 CA ILE A 61 1.664 -7.064 10.077 1.00 0.00 C ATOM 967 C ILE A 61 0.354 -6.659 9.412 1.00 0.00 C ATOM 968 O ILE A 61 0.149 -6.901 8.222 1.00 0.00 O ATOM 969 CB ILE A 61 2.726 -5.987 9.786 1.00 0.00 C ATOM 970 CG1 ILE A 61 4.105 -6.449 10.259 1.00 0.00 C ATOM 971 CG2 ILE A 61 2.345 -4.674 10.453 1.00 0.00 C ATOM 972 CD1 ILE A 61 5.250 -5.808 9.504 1.00 0.00 C ATOM 0 H ILE A 61 2.541 -8.383 8.698 1.00 0.00 H new ATOM 0 HA ILE A 61 1.517 -7.137 11.155 1.00 0.00 H new ATOM 0 HB ILE A 61 2.770 -5.828 8.709 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.210 -6.225 11.321 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.172 -7.532 10.154 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.105 -3.923 10.238 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.382 -4.337 10.069 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.274 -4.821 11.531 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.197 -6.182 9.893 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.170 -6.053 8.445 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.208 -4.726 9.630 1.00 0.00 H new ATOM 984 N HIS A 62 -0.529 -6.035 10.185 1.00 0.00 N ATOM 985 CA HIS A 62 -1.816 -5.591 9.670 1.00 0.00 C ATOM 986 C HIS A 62 -2.104 -4.153 10.094 1.00 0.00 C ATOM 987 O HIS A 62 -2.311 -3.875 11.275 1.00 0.00 O ATOM 988 CB HIS A 62 -2.935 -6.511 10.163 1.00 0.00 C ATOM 989 CG HIS A 62 -4.219 -6.350 9.410 1.00 0.00 C ATOM 990 ND1 HIS A 62 -5.262 -7.250 9.499 1.00 0.00 N ATOM 991 CD2 HIS A 62 -4.627 -5.387 8.551 1.00 0.00 C ATOM 992 CE1 HIS A 62 -6.255 -6.846 8.726 1.00 0.00 C ATOM 993 NE2 HIS A 62 -5.895 -5.720 8.140 1.00 0.00 N ATOM 0 H HIS A 62 -0.375 -5.826 11.171 1.00 0.00 H new ATOM 0 HA HIS A 62 -1.775 -5.632 8.582 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.604 -7.547 10.083 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.116 -6.315 11.220 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -5.266 -8.094 10.071 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -4.062 -4.519 8.246 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -7.200 -7.352 8.596 1.00 0.00 H new ATOM 1002 N ALA A 63 -2.118 -3.243 9.125 1.00 0.00 N ATOM 1003 CA ALA A 63 -2.383 -1.838 9.402 1.00 0.00 C ATOM 1004 C ALA A 63 -3.537 -1.325 8.550 1.00 0.00 C ATOM 1005 O ALA A 63 -3.803 -1.850 7.469 1.00 0.00 O ATOM 1006 CB ALA A 63 -1.134 -1.007 9.161 1.00 0.00 C ATOM 0 H ALA A 63 -1.949 -3.455 8.142 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.667 -1.744 10.450 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.348 0.041 9.372 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.335 -1.353 9.816 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.822 -1.111 8.122 1.00 0.00 H new ATOM 1012 N SER A 64 -4.220 -0.293 9.037 1.00 0.00 N ATOM 1013 CA SER A 64 -5.342 0.289 8.311 1.00 0.00 C ATOM 1014 C SER A 64 -5.334 1.808 8.439 1.00 0.00 C ATOM 1015 O SER A 64 -4.881 2.352 9.448 1.00 0.00 O ATOM 1016 CB SER A 64 -6.664 -0.273 8.835 1.00 0.00 C ATOM 1017 OG SER A 64 -7.769 0.427 8.291 1.00 0.00 O ATOM 0 H SER A 64 -4.016 0.156 9.930 1.00 0.00 H new ATOM 0 HA SER A 64 -5.240 0.027 7.258 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.739 -1.330 8.581 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.686 -0.204 9.923 1.00 0.00 H new ATOM 0 HG SER A 64 -7.848 0.222 7.336 1.00 0.00 H new ATOM 1023 N ALA A 65 -5.837 2.491 7.415 1.00 0.00 N ATOM 1024 CA ALA A 65 -5.882 3.947 7.423 1.00 0.00 C ATOM 1025 C ALA A 65 -7.125 4.465 6.708 1.00 0.00 C ATOM 1026 O ALA A 65 -7.775 3.735 5.961 1.00 0.00 O ATOM 1027 CB ALA A 65 -4.625 4.517 6.785 1.00 0.00 C ATOM 0 H ALA A 65 -6.218 2.060 6.572 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.931 4.278 8.460 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.672 5.606 6.798 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.750 4.185 7.344 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.550 4.169 5.755 1.00 0.00 H new ATOM 1033 N GLU A 66 -7.444 5.733 6.940 1.00 0.00 N ATOM 1034 CA GLU A 66 -8.605 6.360 6.318 1.00 0.00 C ATOM 1035 C GLU A 66 -8.257 7.751 5.803 1.00 0.00 C ATOM 1036 O GLU A 66 -7.287 8.363 6.251 1.00 0.00 O ATOM 1037 CB GLU A 66 -9.762 6.444 7.314 1.00 0.00 C ATOM 1038 CG GLU A 66 -9.429 7.239 8.566 1.00 0.00 C ATOM 1039 CD GLU A 66 -10.634 7.441 9.464 1.00 0.00 C ATOM 1040 OE1 GLU A 66 -11.748 7.621 8.931 1.00 0.00 O ATOM 1041 OE2 GLU A 66 -10.462 7.421 10.702 1.00 0.00 O ATOM 0 H GLU A 66 -6.913 6.349 7.556 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.911 5.745 5.472 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.622 6.899 6.822 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.057 5.435 7.602 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.647 6.722 9.123 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.027 8.211 8.279 1.00 0.00 H new ATOM 1048 N GLY A 67 -9.051 8.247 4.861 1.00 0.00 N ATOM 1049 CA GLY A 67 -8.804 9.564 4.305 1.00 0.00 C ATOM 1050 C GLY A 67 -10.039 10.171 3.670 1.00 0.00 C ATOM 1051 O GLY A 67 -11.053 9.495 3.496 1.00 0.00 O ATOM 0 H GLY A 67 -9.860 7.762 4.473 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.443 10.225 5.093 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -8.012 9.496 3.559 1.00 0.00 H new ATOM 1055 N GLN A 68 -9.954 11.454 3.332 1.00 0.00 N ATOM 1056 CA GLN A 68 -11.070 12.169 2.717 1.00 0.00 C ATOM 1057 C GLN A 68 -11.598 11.445 1.478 1.00 0.00 C ATOM 1058 O GLN A 68 -12.717 11.702 1.037 1.00 0.00 O ATOM 1059 CB GLN A 68 -10.641 13.588 2.345 1.00 0.00 C ATOM 1060 CG GLN A 68 -11.753 14.418 1.723 1.00 0.00 C ATOM 1061 CD GLN A 68 -11.592 15.902 1.990 1.00 0.00 C ATOM 1062 OE1 GLN A 68 -11.117 16.650 1.136 1.00 0.00 O ATOM 1063 NE2 GLN A 68 -11.987 16.335 3.181 1.00 0.00 N ATOM 0 H GLN A 68 -9.120 12.023 3.474 1.00 0.00 H new ATOM 0 HA GLN A 68 -11.878 12.209 3.448 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.278 14.095 3.239 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.805 13.535 1.647 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -11.771 14.246 0.647 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.714 14.084 2.115 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -12.375 15.679 3.859 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -11.902 17.323 3.418 1.00 0.00 H new ATOM 1072 N ASP A 69 -10.797 10.540 0.920 1.00 0.00 N ATOM 1073 CA ASP A 69 -11.206 9.791 -0.262 1.00 0.00 C ATOM 1074 C ASP A 69 -10.494 8.444 -0.318 1.00 0.00 C ATOM 1075 O ASP A 69 -9.613 8.164 0.495 1.00 0.00 O ATOM 1076 CB ASP A 69 -10.907 10.594 -1.531 1.00 0.00 C ATOM 1077 CG ASP A 69 -9.463 11.048 -1.600 1.00 0.00 C ATOM 1078 OD1 ASP A 69 -9.158 12.138 -1.072 1.00 0.00 O ATOM 1079 OD2 ASP A 69 -8.637 10.314 -2.183 1.00 0.00 O ATOM 0 H ASP A 69 -9.866 10.310 1.266 1.00 0.00 H new ATOM 0 HA ASP A 69 -12.280 9.615 -0.200 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -11.136 9.985 -2.406 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -11.561 11.465 -1.569 1.00 0.00 H new ATOM 1084 N MET A 70 -10.877 7.613 -1.282 1.00 0.00 N ATOM 1085 CA MET A 70 -10.269 6.295 -1.438 1.00 0.00 C ATOM 1086 C MET A 70 -8.761 6.414 -1.641 1.00 0.00 C ATOM 1087 O MET A 70 -7.976 5.801 -0.916 1.00 0.00 O ATOM 1088 CB MET A 70 -10.898 5.553 -2.618 1.00 0.00 C ATOM 1089 CG MET A 70 -10.786 4.041 -2.515 1.00 0.00 C ATOM 1090 SD MET A 70 -9.564 3.352 -3.649 1.00 0.00 S ATOM 1091 CE MET A 70 -8.045 3.713 -2.769 1.00 0.00 C ATOM 0 H MET A 70 -11.603 7.827 -1.965 1.00 0.00 H new ATOM 0 HA MET A 70 -10.452 5.728 -0.525 1.00 0.00 H new ATOM 0 HB2 MET A 70 -11.951 5.827 -2.689 1.00 0.00 H new ATOM 0 HB3 MET A 70 -10.420 5.882 -3.540 1.00 0.00 H new ATOM 0 HG2 MET A 70 -10.520 3.770 -1.493 1.00 0.00 H new ATOM 0 HG3 MET A 70 -11.759 3.594 -2.721 1.00 0.00 H new ATOM 0 HE1 MET A 70 -7.317 2.925 -2.961 1.00 0.00 H new ATOM 0 HE2 MET A 70 -7.645 4.668 -3.111 1.00 0.00 H new ATOM 0 HE3 MET A 70 -8.248 3.767 -1.699 1.00 0.00 H new ATOM 1101 N TYR A 71 -8.362 7.210 -2.629 1.00 0.00 N ATOM 1102 CA TYR A 71 -6.948 7.411 -2.927 1.00 0.00 C ATOM 1103 C TYR A 71 -6.200 7.918 -1.697 1.00 0.00 C ATOM 1104 O TYR A 71 -5.073 7.499 -1.427 1.00 0.00 O ATOM 1105 CB TYR A 71 -6.784 8.403 -4.080 1.00 0.00 C ATOM 1106 CG TYR A 71 -7.214 7.849 -5.420 1.00 0.00 C ATOM 1107 CD1 TYR A 71 -6.625 6.703 -5.940 1.00 0.00 C ATOM 1108 CD2 TYR A 71 -8.207 8.472 -6.164 1.00 0.00 C ATOM 1109 CE1 TYR A 71 -7.015 6.195 -7.166 1.00 0.00 C ATOM 1110 CE2 TYR A 71 -8.603 7.970 -7.389 1.00 0.00 C ATOM 1111 CZ TYR A 71 -8.004 6.831 -7.885 1.00 0.00 C ATOM 1112 OH TYR A 71 -8.395 6.327 -9.104 1.00 0.00 O ATOM 0 H TYR A 71 -8.998 7.726 -3.237 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.524 6.450 -3.219 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.365 9.299 -3.863 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.739 8.708 -4.140 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -5.851 6.201 -5.378 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -8.678 9.364 -5.779 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -6.547 5.304 -7.558 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -9.377 8.467 -7.955 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.102 6.892 -9.480 1.00 0.00 H new ATOM 1122 N ALA A 72 -6.834 8.817 -0.953 1.00 0.00 N ATOM 1123 CA ALA A 72 -6.228 9.378 0.249 1.00 0.00 C ATOM 1124 C ALA A 72 -5.866 8.277 1.241 1.00 0.00 C ATOM 1125 O ALA A 72 -4.738 8.214 1.729 1.00 0.00 O ATOM 1126 CB ALA A 72 -7.168 10.385 0.893 1.00 0.00 C ATOM 0 H ALA A 72 -7.767 9.173 -1.161 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.310 9.890 -0.039 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.703 10.796 1.789 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.375 11.191 0.189 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.101 9.891 1.163 1.00 0.00 H new ATOM 1132 N ALA A 73 -6.833 7.412 1.534 1.00 0.00 N ATOM 1133 CA ALA A 73 -6.621 6.310 2.467 1.00 0.00 C ATOM 1134 C ALA A 73 -5.372 5.512 2.104 1.00 0.00 C ATOM 1135 O ALA A 73 -4.693 4.971 2.977 1.00 0.00 O ATOM 1136 CB ALA A 73 -7.841 5.401 2.496 1.00 0.00 C ATOM 0 H ALA A 73 -7.772 7.453 1.138 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.472 6.733 3.461 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.669 4.583 3.196 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.713 5.973 2.813 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.016 4.995 1.500 1.00 0.00 H new ATOM 1142 N ILE A 74 -5.074 5.444 0.810 1.00 0.00 N ATOM 1143 CA ILE A 74 -3.905 4.713 0.334 1.00 0.00 C ATOM 1144 C ILE A 74 -2.624 5.494 0.608 1.00 0.00 C ATOM 1145 O ILE A 74 -1.574 4.907 0.868 1.00 0.00 O ATOM 1146 CB ILE A 74 -4.002 4.415 -1.177 1.00 0.00 C ATOM 1147 CG1 ILE A 74 -5.322 3.709 -1.494 1.00 0.00 C ATOM 1148 CG2 ILE A 74 -2.820 3.569 -1.633 1.00 0.00 C ATOM 1149 CD1 ILE A 74 -5.494 2.396 -0.762 1.00 0.00 C ATOM 0 H ILE A 74 -5.625 5.885 0.074 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.877 3.769 0.879 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.975 5.360 -1.719 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.150 4.370 -1.237 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -5.380 3.528 -2.567 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.906 3.369 -2.701 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.892 4.106 -1.438 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.815 2.626 -1.087 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.451 1.951 -1.034 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.687 1.717 -1.037 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.469 2.573 0.313 1.00 0.00 H new ATOM 1161 N ASP A 75 -2.716 6.818 0.546 1.00 0.00 N ATOM 1162 CA ASP A 75 -1.560 7.676 0.787 1.00 0.00 C ATOM 1163 C ASP A 75 -1.071 7.550 2.227 1.00 0.00 C ATOM 1164 O ASP A 75 0.088 7.216 2.474 1.00 0.00 O ATOM 1165 CB ASP A 75 -1.912 9.134 0.484 1.00 0.00 C ATOM 1166 CG ASP A 75 -0.681 9.994 0.274 1.00 0.00 C ATOM 1167 OD1 ASP A 75 0.157 10.066 1.197 1.00 0.00 O ATOM 1168 OD2 ASP A 75 -0.555 10.596 -0.813 1.00 0.00 O ATOM 0 H ASP A 75 -3.577 7.320 0.331 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.758 7.353 0.123 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -2.538 9.176 -0.407 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -2.501 9.541 1.306 1.00 0.00 H new ATOM 1173 N GLY A 76 -1.960 7.817 3.177 1.00 0.00 N ATOM 1174 CA GLY A 76 -1.595 7.727 4.577 1.00 0.00 C ATOM 1175 C GLY A 76 -1.260 6.310 5.000 1.00 0.00 C ATOM 1176 O GLY A 76 -0.358 6.092 5.808 1.00 0.00 O ATOM 0 H GLY A 76 -2.926 8.094 3.002 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.737 8.372 4.768 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.417 8.100 5.188 1.00 0.00 H new ATOM 1180 N LEU A 77 -1.994 5.345 4.454 1.00 0.00 N ATOM 1181 CA LEU A 77 -1.777 3.940 4.779 1.00 0.00 C ATOM 1182 C LEU A 77 -0.454 3.436 4.208 1.00 0.00 C ATOM 1183 O LEU A 77 0.275 2.695 4.866 1.00 0.00 O ATOM 1184 CB LEU A 77 -2.932 3.091 4.245 1.00 0.00 C ATOM 1185 CG LEU A 77 -2.842 1.599 4.570 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -4.225 1.025 4.838 1.00 0.00 C ATOM 1187 CD2 LEU A 77 -2.164 0.848 3.434 1.00 0.00 C ATOM 0 H LEU A 77 -2.745 5.511 3.784 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.734 3.850 5.864 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.866 3.480 4.650 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.980 3.209 3.163 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.241 1.479 5.471 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.140 -0.037 5.067 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.677 1.544 5.684 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.851 1.157 3.955 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.108 -0.212 3.681 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.740 0.977 2.518 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.158 1.240 3.288 1.00 0.00 H new ATOM 1199 N ILE A 78 -0.153 3.836 2.978 1.00 0.00 N ATOM 1200 CA ILE A 78 1.079 3.417 2.319 1.00 0.00 C ATOM 1201 C ILE A 78 2.303 4.101 2.929 1.00 0.00 C ATOM 1202 O ILE A 78 3.430 3.619 2.789 1.00 0.00 O ATOM 1203 CB ILE A 78 1.028 3.705 0.800 1.00 0.00 C ATOM 1204 CG1 ILE A 78 2.101 2.897 0.070 1.00 0.00 C ATOM 1205 CG2 ILE A 78 1.192 5.196 0.516 1.00 0.00 C ATOM 1206 CD1 ILE A 78 1.565 1.651 -0.601 1.00 0.00 C ATOM 0 H ILE A 78 -0.744 4.449 2.417 1.00 0.00 H new ATOM 0 HA ILE A 78 1.169 2.342 2.472 1.00 0.00 H new ATOM 0 HB ILE A 78 0.049 3.401 0.430 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.573 3.530 -0.681 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.877 2.612 0.781 1.00 0.00 H new ATOM 0 HG21 ILE A 78 1.152 5.368 -0.560 1.00 0.00 H new ATOM 0 HG22 ILE A 78 0.389 5.750 1.002 1.00 0.00 H new ATOM 0 HG23 ILE A 78 2.153 5.536 0.902 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.380 1.127 -1.099 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.118 0.998 0.148 1.00 0.00 H new ATOM 0 HD13 ILE A 78 0.810 1.930 -1.336 1.00 0.00 H new ATOM 1218 N ASP A 79 2.074 5.216 3.618 1.00 0.00 N ATOM 1219 CA ASP A 79 3.159 5.955 4.253 1.00 0.00 C ATOM 1220 C ASP A 79 3.561 5.302 5.571 1.00 0.00 C ATOM 1221 O ASP A 79 4.740 5.044 5.814 1.00 0.00 O ATOM 1222 CB ASP A 79 2.740 7.407 4.497 1.00 0.00 C ATOM 1223 CG ASP A 79 3.929 8.344 4.582 1.00 0.00 C ATOM 1224 OD1 ASP A 79 4.796 8.288 3.685 1.00 0.00 O ATOM 1225 OD2 ASP A 79 3.993 9.135 5.546 1.00 0.00 O ATOM 0 H ASP A 79 1.149 5.626 3.750 1.00 0.00 H new ATOM 0 HA ASP A 79 4.018 5.940 3.583 1.00 0.00 H new ATOM 0 HB2 ASP A 79 2.081 7.732 3.692 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.167 7.467 5.422 1.00 0.00 H new ATOM 1230 N LYS A 80 2.572 5.035 6.418 1.00 0.00 N ATOM 1231 CA LYS A 80 2.822 4.409 7.711 1.00 0.00 C ATOM 1232 C LYS A 80 3.277 2.965 7.534 1.00 0.00 C ATOM 1233 O LYS A 80 4.084 2.457 8.314 1.00 0.00 O ATOM 1234 CB LYS A 80 1.564 4.459 8.579 1.00 0.00 C ATOM 1235 CG LYS A 80 0.307 4.004 7.856 1.00 0.00 C ATOM 1236 CD LYS A 80 -0.479 2.994 8.679 1.00 0.00 C ATOM 1237 CE LYS A 80 -1.397 3.685 9.674 1.00 0.00 C ATOM 1238 NZ LYS A 80 -2.278 2.715 10.382 1.00 0.00 N ATOM 0 H LYS A 80 1.591 5.242 6.232 1.00 0.00 H new ATOM 0 HA LYS A 80 3.617 4.964 8.209 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.714 3.832 9.458 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.419 5.479 8.935 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.322 4.868 7.641 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.578 3.561 6.898 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.069 2.362 8.015 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.211 2.340 9.212 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.798 4.230 10.403 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.011 4.419 9.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.509 3.082 11.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -3.155 2.582 9.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -1.786 1.803 10.475 1.00 0.00 H new ATOM 1252 N LEU A 81 2.757 2.307 6.502 1.00 0.00 N ATOM 1253 CA LEU A 81 3.113 0.921 6.222 1.00 0.00 C ATOM 1254 C LEU A 81 4.584 0.805 5.845 1.00 0.00 C ATOM 1255 O LEU A 81 5.302 -0.045 6.370 1.00 0.00 O ATOM 1256 CB LEU A 81 2.233 0.361 5.101 1.00 0.00 C ATOM 1257 CG LEU A 81 0.884 -0.224 5.544 1.00 0.00 C ATOM 1258 CD1 LEU A 81 1.021 -1.710 5.833 1.00 0.00 C ATOM 1259 CD2 LEU A 81 0.341 0.505 6.768 1.00 0.00 C ATOM 0 H LEU A 81 2.088 2.711 5.847 1.00 0.00 H new ATOM 0 HA LEU A 81 2.944 0.337 7.127 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.044 1.157 4.380 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.792 -0.416 4.579 1.00 0.00 H new ATOM 0 HG LEU A 81 0.175 -0.087 4.728 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.057 -2.110 6.146 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.353 -2.227 4.933 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.751 -1.860 6.628 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.615 0.068 7.057 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.048 0.409 7.592 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.201 1.560 6.531 1.00 0.00 H new ATOM 1271 N ALA A 82 5.035 1.668 4.935 1.00 0.00 N ATOM 1272 CA ALA A 82 6.428 1.650 4.504 1.00 0.00 C ATOM 1273 C ALA A 82 7.365 1.827 5.695 1.00 0.00 C ATOM 1274 O ALA A 82 8.246 1.001 5.934 1.00 0.00 O ATOM 1275 CB ALA A 82 6.679 2.732 3.464 1.00 0.00 C ATOM 0 H ALA A 82 4.460 2.381 4.487 1.00 0.00 H new ATOM 0 HA ALA A 82 6.632 0.680 4.050 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.724 2.703 3.154 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.039 2.560 2.599 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.454 3.708 3.893 1.00 0.00 H new ATOM 1281 N ARG A 83 7.168 2.913 6.437 1.00 0.00 N ATOM 1282 CA ARG A 83 7.994 3.205 7.607 1.00 0.00 C ATOM 1283 C ARG A 83 8.037 2.014 8.563 1.00 0.00 C ATOM 1284 O ARG A 83 9.042 1.784 9.238 1.00 0.00 O ATOM 1285 CB ARG A 83 7.461 4.440 8.335 1.00 0.00 C ATOM 1286 CG ARG A 83 7.441 5.693 7.475 1.00 0.00 C ATOM 1287 CD ARG A 83 8.847 6.168 7.149 1.00 0.00 C ATOM 1288 NE ARG A 83 8.843 7.428 6.411 1.00 0.00 N ATOM 1289 CZ ARG A 83 9.880 7.880 5.708 1.00 0.00 C ATOM 1290 NH1 ARG A 83 11.005 7.176 5.646 1.00 0.00 N ATOM 1291 NH2 ARG A 83 9.792 9.036 5.067 1.00 0.00 N ATOM 0 H ARG A 83 6.444 3.606 6.250 1.00 0.00 H new ATOM 0 HA ARG A 83 9.009 3.402 7.262 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.450 4.235 8.687 1.00 0.00 H new ATOM 0 HB3 ARG A 83 8.075 4.625 9.217 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.900 5.492 6.550 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.900 6.484 7.995 1.00 0.00 H new ATOM 0 HD2 ARG A 83 9.411 6.291 8.073 1.00 0.00 H new ATOM 0 HD3 ARG A 83 9.360 5.406 6.562 1.00 0.00 H new ATOM 0 HE ARG A 83 7.996 7.996 6.435 1.00 0.00 H new ATOM 0 HH11 ARG A 83 11.077 6.285 6.138 1.00 0.00 H new ATOM 0 HH12 ARG A 83 11.797 7.526 5.106 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.930 9.580 5.112 1.00 0.00 H new ATOM 0 HH22 ARG A 83 10.586 9.382 4.529 1.00 0.00 H new ATOM 1305 N GLN A 84 6.945 1.256 8.612 1.00 0.00 N ATOM 1306 CA GLN A 84 6.867 0.088 9.480 1.00 0.00 C ATOM 1307 C GLN A 84 7.743 -1.038 8.944 1.00 0.00 C ATOM 1308 O GLN A 84 8.416 -1.735 9.704 1.00 0.00 O ATOM 1309 CB GLN A 84 5.418 -0.388 9.602 1.00 0.00 C ATOM 1310 CG GLN A 84 4.612 0.374 10.643 1.00 0.00 C ATOM 1311 CD GLN A 84 4.291 -0.466 11.864 1.00 0.00 C ATOM 1312 OE1 GLN A 84 4.778 -0.196 12.962 1.00 0.00 O ATOM 1313 NE2 GLN A 84 3.470 -1.493 11.677 1.00 0.00 N ATOM 0 H GLN A 84 6.104 1.430 8.061 1.00 0.00 H new ATOM 0 HA GLN A 84 7.230 0.371 10.468 1.00 0.00 H new ATOM 0 HB2 GLN A 84 4.929 -0.289 8.633 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.413 -1.448 9.855 1.00 0.00 H new ATOM 0 HG2 GLN A 84 5.169 1.259 10.952 1.00 0.00 H new ATOM 0 HG3 GLN A 84 3.683 0.723 10.193 1.00 0.00 H new ATOM 0 HE21 GLN A 84 3.090 -1.680 10.749 1.00 0.00 H new ATOM 0 HE22 GLN A 84 3.220 -2.095 12.461 1.00 0.00 H new ATOM 1322 N LEU A 85 7.731 -1.204 7.625 1.00 0.00 N ATOM 1323 CA LEU A 85 8.528 -2.239 6.980 1.00 0.00 C ATOM 1324 C LEU A 85 10.010 -2.042 7.276 1.00 0.00 C ATOM 1325 O LEU A 85 10.738 -3.004 7.519 1.00 0.00 O ATOM 1326 CB LEU A 85 8.288 -2.243 5.469 1.00 0.00 C ATOM 1327 CG LEU A 85 7.087 -3.073 5.006 1.00 0.00 C ATOM 1328 CD1 LEU A 85 5.901 -2.176 4.683 1.00 0.00 C ATOM 1329 CD2 LEU A 85 7.460 -3.924 3.799 1.00 0.00 C ATOM 0 H LEU A 85 7.178 -0.635 6.983 1.00 0.00 H new ATOM 0 HA LEU A 85 8.219 -3.203 7.384 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.150 -1.214 5.136 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.183 -2.621 4.975 1.00 0.00 H new ATOM 0 HG LEU A 85 6.798 -3.737 5.820 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.060 -2.788 4.356 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.617 -1.614 5.573 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.175 -1.482 3.888 1.00 0.00 H new ATOM 0 HD21 LEU A 85 6.595 -4.507 3.484 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.779 -3.277 2.982 1.00 0.00 H new ATOM 0 HD23 LEU A 85 8.274 -4.598 4.067 1.00 0.00 H new ATOM 1341 N THR A 86 10.450 -0.788 7.261 1.00 0.00 N ATOM 1342 CA THR A 86 11.847 -0.465 7.535 1.00 0.00 C ATOM 1343 C THR A 86 12.197 -0.776 8.985 1.00 0.00 C ATOM 1344 O THR A 86 13.288 -1.268 9.281 1.00 0.00 O ATOM 1345 CB THR A 86 12.121 1.011 7.241 1.00 0.00 C ATOM 1346 OG1 THR A 86 11.390 1.443 6.106 1.00 0.00 O ATOM 1347 CG2 THR A 86 13.584 1.308 6.986 1.00 0.00 C ATOM 0 H THR A 86 9.861 0.021 7.062 1.00 0.00 H new ATOM 0 HA THR A 86 12.470 -1.079 6.885 1.00 0.00 H new ATOM 0 HB THR A 86 11.808 1.546 8.137 1.00 0.00 H new ATOM 0 HG1 THR A 86 11.376 0.729 5.435 1.00 0.00 H new ATOM 0 HG21 THR A 86 13.709 2.372 6.784 1.00 0.00 H new ATOM 0 HG22 THR A 86 14.169 1.034 7.864 1.00 0.00 H new ATOM 0 HG23 THR A 86 13.928 0.733 6.126 1.00 0.00 H new ATOM 1355 N LYS A 87 11.267 -0.483 9.888 1.00 0.00 N ATOM 1356 CA LYS A 87 11.474 -0.727 11.312 1.00 0.00 C ATOM 1357 C LYS A 87 11.864 -2.179 11.574 1.00 0.00 C ATOM 1358 O LYS A 87 12.957 -2.458 12.067 1.00 0.00 O ATOM 1359 CB LYS A 87 10.208 -0.378 12.097 1.00 0.00 C ATOM 1360 CG LYS A 87 10.488 0.271 13.444 1.00 0.00 C ATOM 1361 CD LYS A 87 9.895 1.668 13.526 1.00 0.00 C ATOM 1362 CE LYS A 87 10.940 2.734 13.243 1.00 0.00 C ATOM 1363 NZ LYS A 87 10.369 4.107 13.315 1.00 0.00 N ATOM 0 H LYS A 87 10.361 -0.075 9.659 1.00 0.00 H new ATOM 0 HA LYS A 87 12.293 -0.089 11.646 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.594 0.295 11.499 1.00 0.00 H new ATOM 0 HB3 LYS A 87 9.626 -1.286 12.254 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.074 -0.348 14.240 1.00 0.00 H new ATOM 0 HG3 LYS A 87 11.565 0.322 13.607 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.077 1.760 12.811 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.471 1.827 14.518 1.00 0.00 H new ATOM 0 HE2 LYS A 87 11.755 2.642 13.961 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.367 2.570 12.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.115 4.804 13.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 9.608 4.204 12.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.985 4.274 14.267 1.00 0.00 H new ATOM 1377 N HIS A 88 10.962 -3.100 11.248 1.00 0.00 N ATOM 1378 CA HIS A 88 11.215 -4.521 11.456 1.00 0.00 C ATOM 1379 C HIS A 88 12.377 -5.009 10.591 1.00 0.00 C ATOM 1380 O HIS A 88 13.050 -5.980 10.931 1.00 0.00 O ATOM 1381 CB HIS A 88 9.948 -5.337 11.164 1.00 0.00 C ATOM 1382 CG HIS A 88 9.761 -5.688 9.718 1.00 0.00 C ATOM 1383 ND1 HIS A 88 8.934 -4.983 8.871 1.00 0.00 N ATOM 1384 CD2 HIS A 88 10.305 -6.678 8.971 1.00 0.00 C ATOM 1385 CE1 HIS A 88 8.974 -5.525 7.666 1.00 0.00 C ATOM 1386 NE2 HIS A 88 9.799 -6.556 7.701 1.00 0.00 N ATOM 0 H HIS A 88 10.052 -2.888 10.840 1.00 0.00 H new ATOM 0 HA HIS A 88 11.492 -4.665 12.500 1.00 0.00 H new ATOM 0 HB2 HIS A 88 9.979 -6.257 11.748 1.00 0.00 H new ATOM 0 HB3 HIS A 88 9.080 -4.773 11.504 1.00 0.00 H new ATOM 0 HD2 HIS A 88 11.007 -7.425 9.311 1.00 0.00 H new ATOM 0 HE1 HIS A 88 8.426 -5.183 6.801 1.00 0.00 H new ATOM 0 HE2 HIS A 88 10.024 -7.163 6.912 1.00 0.00 H new ATOM 1395 N LYS A 89 12.602 -4.330 9.469 1.00 0.00 N ATOM 1396 CA LYS A 89 13.679 -4.698 8.555 1.00 0.00 C ATOM 1397 C LYS A 89 15.042 -4.268 9.092 1.00 0.00 C ATOM 1398 O LYS A 89 16.078 -4.723 8.608 1.00 0.00 O ATOM 1399 CB LYS A 89 13.444 -4.075 7.180 1.00 0.00 C ATOM 1400 CG LYS A 89 14.369 -4.617 6.101 1.00 0.00 C ATOM 1401 CD LYS A 89 13.661 -5.634 5.220 1.00 0.00 C ATOM 1402 CE LYS A 89 12.465 -5.020 4.512 1.00 0.00 C ATOM 1403 NZ LYS A 89 11.179 -5.380 5.173 1.00 0.00 N ATOM 0 H LYS A 89 12.054 -3.523 9.171 1.00 0.00 H new ATOM 0 HA LYS A 89 13.678 -5.784 8.465 1.00 0.00 H new ATOM 0 HB2 LYS A 89 12.410 -4.250 6.883 1.00 0.00 H new ATOM 0 HB3 LYS A 89 13.576 -2.995 7.252 1.00 0.00 H new ATOM 0 HG2 LYS A 89 14.735 -3.794 5.487 1.00 0.00 H new ATOM 0 HG3 LYS A 89 15.240 -5.080 6.565 1.00 0.00 H new ATOM 0 HD2 LYS A 89 14.360 -6.027 4.482 1.00 0.00 H new ATOM 0 HD3 LYS A 89 13.332 -6.477 5.828 1.00 0.00 H new ATOM 0 HE2 LYS A 89 12.572 -3.935 4.494 1.00 0.00 H new ATOM 0 HE3 LYS A 89 12.446 -5.356 3.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 10.623 -5.991 4.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 11.374 -5.886 6.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 10.641 -4.514 5.380 1.00 0.00 H new ATOM 1417 N ASP A 90 15.042 -3.392 10.095 1.00 0.00 N ATOM 1418 CA ASP A 90 16.286 -2.913 10.685 1.00 0.00 C ATOM 1419 C ASP A 90 16.824 -3.914 11.704 1.00 0.00 C ATOM 1420 O ASP A 90 18.034 -4.046 11.879 1.00 0.00 O ATOM 1421 CB ASP A 90 16.068 -1.554 11.353 1.00 0.00 C ATOM 1422 CG ASP A 90 17.247 -0.620 11.159 1.00 0.00 C ATOM 1423 OD1 ASP A 90 17.924 -0.727 10.115 1.00 0.00 O ATOM 1424 OD2 ASP A 90 17.491 0.219 12.051 1.00 0.00 O ATOM 0 H ASP A 90 14.197 -3.002 10.513 1.00 0.00 H new ATOM 0 HA ASP A 90 17.020 -2.803 9.887 1.00 0.00 H new ATOM 0 HB2 ASP A 90 15.170 -1.091 10.944 1.00 0.00 H new ATOM 0 HB3 ASP A 90 15.895 -1.700 12.419 1.00 0.00 H new