USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=25 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 101 LYS NZ :NH3+ 177:sc= 0.837 (180deg=0.27) USER MOD Set 1.2: A 108 GLN : amide:sc= 0.529 K(o=1.4,f=-6.8!) USER MOD Set 2.1: A 24 HIS : no HD1:sc= -3.06! C(o=-2.2!,f=-4.1!) USER MOD Set 2.2: A 31 ASN : amide:sc= 0.88 K(o=-2.2,f=-8.1!) USER MOD Single : A 5 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0103) USER MOD Single : A 12 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.066) USER MOD Single : A 13 ASN : amide:sc= 0.575 K(o=0.58,f=-0.068) USER MOD Single : A 14 THR OG1 : rot -129:sc= -0.259 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.101 USER MOD Single : A 27 SER OG : rot 46:sc= 0.294 USER MOD Single : A 29 ASN : amide:sc= -0.16 X(o=-0.16,f=-0.45) USER MOD Single : A 30 THR OG1 : rot 91:sc= 1.27 USER MOD Single : A 35 GLN : amide:sc= 0.976 K(o=0.98,f=-7.6!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc=-1.6e-05 X(o=-1.6e-05,f=-0.078) USER MOD Single : A 40 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0466) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0837 USER MOD Single : A 46 LYS NZ :NH3+ -168:sc= -0.0217 (180deg=-0.185) USER MOD Single : A 48 LYS NZ :NH3+ -167:sc=-0.00818 (180deg=-0.201) USER MOD Single : A 58 ASN : amide:sc= -2.6! C(o=-2.6!,f=-7.2!) USER MOD Single : A 63 GLN : amide:sc= -0.58 X(o=-0.58,f=-0.83) USER MOD Single : A 66 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 67 MET CE :methyl -164:sc= -0.0551 (180deg=-0.425) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 140:sc= 1.31 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 CYS SG : rot 6:sc= 0.201 USER MOD Single : A 87 LYS NZ :NH3+ 157:sc= 1.44 (180deg=1.33) USER MOD Single : A 89 TYR OH : rot -42:sc= 0.0819 USER MOD Single : A 92 SER OG : rot -129:sc= -0.674! USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl -165:sc= 0 (180deg=-0.39) USER MOD Single : A 111 ASN :FLIP amide:sc= -0.0422 F(o=-0.56,f=-0.042) USER MOD Single : A 112 LYS NZ :NH3+ -126:sc= -0.495 (180deg=-2.09!) USER MOD Single : A 115 SER OG : rot -48:sc= 0.276 USER MOD ----------------------------------------------------------------- ATOM 47 N LYS A 5 16.592 3.498 7.110 1.00 3.56 N ATOM 48 CA LYS A 5 15.373 3.236 7.881 1.00 3.21 C ATOM 49 C LYS A 5 14.632 1.972 7.461 1.00 2.60 C ATOM 50 O LYS A 5 14.933 1.340 6.442 1.00 2.48 O ATOM 51 CB LYS A 5 14.405 4.381 7.730 1.00 3.31 C ATOM 52 CG LYS A 5 14.922 5.737 8.179 1.00 3.91 C ATOM 53 CD LYS A 5 13.861 6.815 7.988 1.00 4.47 C ATOM 54 CE LYS A 5 14.184 8.083 8.763 1.00 5.34 C ATOM 55 NZ LYS A 5 13.900 7.927 10.215 1.00 5.99 N ATOM 0 HA LYS A 5 15.712 3.111 8.910 1.00 3.21 H new ATOM 0 HB2 LYS A 5 14.113 4.452 6.682 1.00 3.31 H new ATOM 0 HB3 LYS A 5 13.503 4.149 8.297 1.00 3.31 H new ATOM 0 HG2 LYS A 5 15.214 5.690 9.228 1.00 3.91 H new ATOM 0 HG3 LYS A 5 15.816 5.996 7.611 1.00 3.91 H new ATOM 0 HD2 LYS A 5 13.773 7.052 6.928 1.00 4.47 H new ATOM 0 HD3 LYS A 5 12.893 6.431 8.310 1.00 4.47 H new ATOM 0 HE2 LYS A 5 15.235 8.338 8.623 1.00 5.34 H new ATOM 0 HE3 LYS A 5 13.599 8.912 8.365 1.00 5.34 H new ATOM 0 HZ1 LYS A 5 14.084 8.827 10.703 1.00 5.99 H new ATOM 0 HZ2 LYS A 5 12.904 7.659 10.347 1.00 5.99 H new ATOM 0 HZ3 LYS A 5 14.513 7.187 10.611 1.00 5.99 H new ATOM 69 N GLU A 6 13.649 1.622 8.279 1.00 2.54 N ATOM 70 CA GLU A 6 12.650 0.641 7.910 1.00 2.10 C ATOM 71 C GLU A 6 11.777 1.234 6.833 1.00 1.84 C ATOM 72 O GLU A 6 11.154 2.271 7.047 1.00 2.27 O ATOM 73 CB GLU A 6 11.779 0.301 9.105 1.00 2.49 C ATOM 74 CG GLU A 6 12.588 0.113 10.351 1.00 2.96 C ATOM 75 CD GLU A 6 11.799 -0.537 11.471 1.00 3.57 C ATOM 76 OE1 GLU A 6 11.825 -1.778 11.585 1.00 4.01 O ATOM 77 OE2 GLU A 6 11.143 0.195 12.241 1.00 3.94 O ATOM 0 H GLU A 6 13.526 2.012 9.214 1.00 2.54 H new ATOM 0 HA GLU A 6 13.145 -0.264 7.559 1.00 2.10 H new ATOM 0 HB2 GLU A 6 11.051 1.097 9.262 1.00 2.49 H new ATOM 0 HB3 GLU A 6 11.216 -0.609 8.897 1.00 2.49 H new ATOM 0 HG2 GLU A 6 13.460 -0.500 10.124 1.00 2.96 H new ATOM 0 HG3 GLU A 6 12.958 1.081 10.688 1.00 2.96 H new ATOM 84 N ILE A 7 11.739 0.609 5.687 1.00 1.34 N ATOM 85 CA ILE A 7 10.874 1.094 4.622 1.00 1.10 C ATOM 86 C ILE A 7 9.485 0.521 4.829 1.00 0.99 C ATOM 87 O ILE A 7 9.257 -0.683 4.669 1.00 1.30 O ATOM 88 CB ILE A 7 11.412 0.772 3.202 1.00 1.29 C ATOM 89 CG1 ILE A 7 12.665 1.575 2.896 1.00 1.73 C ATOM 90 CG2 ILE A 7 10.381 1.056 2.126 1.00 1.29 C ATOM 91 CD1 ILE A 7 12.729 2.885 3.634 1.00 2.00 C ATOM 0 H ILE A 7 12.283 -0.223 5.460 1.00 1.34 H new ATOM 0 HA ILE A 7 10.844 2.182 4.677 1.00 1.10 H new ATOM 0 HB ILE A 7 11.644 -0.293 3.197 1.00 1.29 H new ATOM 0 HG12 ILE A 7 13.541 0.979 3.152 1.00 1.73 H new ATOM 0 HG13 ILE A 7 12.712 1.767 1.824 1.00 1.73 H new ATOM 0 HG21 ILE A 7 10.800 0.817 1.149 1.00 1.29 H new ATOM 0 HG22 ILE A 7 9.495 0.445 2.301 1.00 1.29 H new ATOM 0 HG23 ILE A 7 10.106 2.110 2.155 1.00 1.29 H new ATOM 0 HD11 ILE A 7 13.649 3.407 3.370 1.00 2.00 H new ATOM 0 HD12 ILE A 7 11.871 3.499 3.360 1.00 2.00 H new ATOM 0 HD13 ILE A 7 12.714 2.699 4.708 1.00 2.00 H new ATOM 103 N GLU A 8 8.574 1.383 5.245 1.00 0.87 N ATOM 104 CA GLU A 8 7.246 0.951 5.621 1.00 0.93 C ATOM 105 C GLU A 8 6.189 1.481 4.666 1.00 0.86 C ATOM 106 O GLU A 8 6.376 2.508 4.007 1.00 1.29 O ATOM 107 CB GLU A 8 6.933 1.344 7.070 1.00 1.41 C ATOM 108 CG GLU A 8 7.927 2.298 7.711 1.00 1.71 C ATOM 109 CD GLU A 8 7.717 3.742 7.308 1.00 2.31 C ATOM 110 OE1 GLU A 8 6.938 4.443 7.988 1.00 2.70 O ATOM 111 OE2 GLU A 8 8.338 4.194 6.328 1.00 2.71 O ATOM 0 H GLU A 8 8.733 2.387 5.330 1.00 0.87 H new ATOM 0 HA GLU A 8 7.223 -0.137 5.553 1.00 0.93 H new ATOM 0 HB2 GLU A 8 5.944 1.801 7.100 1.00 1.41 H new ATOM 0 HB3 GLU A 8 6.883 0.437 7.673 1.00 1.41 H new ATOM 0 HG2 GLU A 8 7.851 2.216 8.795 1.00 1.71 H new ATOM 0 HG3 GLU A 8 8.938 1.995 7.438 1.00 1.71 H new ATOM 118 N ILE A 9 5.078 0.767 4.590 1.00 0.65 N ATOM 119 CA ILE A 9 4.056 1.052 3.627 1.00 0.68 C ATOM 120 C ILE A 9 2.684 1.187 4.281 1.00 0.53 C ATOM 121 O ILE A 9 2.314 0.400 5.151 1.00 0.68 O ATOM 122 CB ILE A 9 4.039 -0.006 2.523 1.00 0.91 C ATOM 123 CG1 ILE A 9 4.433 -1.395 3.033 1.00 0.93 C ATOM 124 CG2 ILE A 9 4.961 0.432 1.406 1.00 1.34 C ATOM 125 CD1 ILE A 9 5.659 -1.932 2.363 1.00 1.21 C ATOM 0 H ILE A 9 4.870 -0.024 5.199 1.00 0.65 H new ATOM 0 HA ILE A 9 4.292 2.014 3.173 1.00 0.68 H new ATOM 0 HB ILE A 9 3.017 -0.092 2.154 1.00 0.91 H new ATOM 0 HG12 ILE A 9 4.603 -1.347 4.109 1.00 0.93 H new ATOM 0 HG13 ILE A 9 3.605 -2.085 2.872 1.00 0.93 H new ATOM 0 HG21 ILE A 9 4.955 -0.317 0.614 1.00 1.34 H new ATOM 0 HG22 ILE A 9 4.619 1.386 1.005 1.00 1.34 H new ATOM 0 HG23 ILE A 9 5.974 0.543 1.793 1.00 1.34 H new ATOM 0 HD11 ILE A 9 5.890 -2.919 2.764 1.00 1.21 H new ATOM 0 HD12 ILE A 9 5.483 -2.009 1.290 1.00 1.21 H new ATOM 0 HD13 ILE A 9 6.498 -1.260 2.546 1.00 1.21 H new ATOM 137 N VAL A 10 1.947 2.204 3.858 1.00 0.51 N ATOM 138 CA VAL A 10 0.699 2.587 4.493 1.00 0.46 C ATOM 139 C VAL A 10 -0.518 2.227 3.650 1.00 0.41 C ATOM 140 O VAL A 10 -0.564 2.504 2.454 1.00 0.44 O ATOM 141 CB VAL A 10 0.704 4.108 4.741 1.00 0.61 C ATOM 142 CG1 VAL A 10 -0.682 4.634 5.076 1.00 0.92 C ATOM 143 CG2 VAL A 10 1.702 4.457 5.827 1.00 0.77 C ATOM 0 H VAL A 10 2.201 2.788 3.061 1.00 0.51 H new ATOM 0 HA VAL A 10 0.626 2.037 5.431 1.00 0.46 H new ATOM 0 HB VAL A 10 1.010 4.597 3.816 1.00 0.61 H new ATOM 0 HG11 VAL A 10 -0.632 5.710 5.243 1.00 0.92 H new ATOM 0 HG12 VAL A 10 -1.360 4.426 4.248 1.00 0.92 H new ATOM 0 HG13 VAL A 10 -1.049 4.143 5.977 1.00 0.92 H new ATOM 0 HG21 VAL A 10 1.697 5.534 5.993 1.00 0.77 H new ATOM 0 HG22 VAL A 10 1.429 3.946 6.750 1.00 0.77 H new ATOM 0 HG23 VAL A 10 2.699 4.142 5.519 1.00 0.77 H new ATOM 153 N ILE A 11 -1.497 1.608 4.292 1.00 0.40 N ATOM 154 CA ILE A 11 -2.807 1.418 3.715 1.00 0.40 C ATOM 155 C ILE A 11 -3.781 2.302 4.484 1.00 0.44 C ATOM 156 O ILE A 11 -3.923 2.161 5.699 1.00 0.50 O ATOM 157 CB ILE A 11 -3.241 -0.069 3.786 1.00 0.47 C ATOM 158 CG1 ILE A 11 -2.256 -0.936 3.026 1.00 0.58 C ATOM 159 CG2 ILE A 11 -4.646 -0.276 3.241 1.00 0.53 C ATOM 160 CD1 ILE A 11 -2.089 -0.468 1.620 1.00 0.59 C ATOM 0 H ILE A 11 -1.399 1.224 5.232 1.00 0.40 H new ATOM 0 HA ILE A 11 -2.794 1.692 2.660 1.00 0.40 H new ATOM 0 HB ILE A 11 -3.248 -0.360 4.836 1.00 0.47 H new ATOM 0 HG12 ILE A 11 -1.291 -0.922 3.532 1.00 0.58 H new ATOM 0 HG13 ILE A 11 -2.602 -1.970 3.028 1.00 0.58 H new ATOM 0 HG21 ILE A 11 -4.911 -1.331 3.309 1.00 0.53 H new ATOM 0 HG22 ILE A 11 -5.353 0.314 3.824 1.00 0.53 H new ATOM 0 HG23 ILE A 11 -4.682 0.041 2.199 1.00 0.53 H new ATOM 0 HD11 ILE A 11 -1.376 -1.112 1.104 1.00 0.59 H new ATOM 0 HD12 ILE A 11 -3.050 -0.507 1.107 1.00 0.59 H new ATOM 0 HD13 ILE A 11 -1.718 0.557 1.619 1.00 0.59 H new ATOM 172 N LYS A 12 -4.397 3.251 3.798 1.00 0.46 N ATOM 173 CA LYS A 12 -5.229 4.246 4.471 1.00 0.52 C ATOM 174 C LYS A 12 -6.703 4.103 4.095 1.00 0.50 C ATOM 175 O LYS A 12 -7.053 3.367 3.174 1.00 0.62 O ATOM 176 CB LYS A 12 -4.735 5.649 4.145 1.00 0.55 C ATOM 177 CG LYS A 12 -4.683 6.548 5.358 1.00 0.72 C ATOM 178 CD LYS A 12 -3.974 7.862 5.066 1.00 1.32 C ATOM 179 CE LYS A 12 -4.834 8.810 4.244 1.00 1.65 C ATOM 180 NZ LYS A 12 -5.946 9.390 5.042 1.00 2.08 N ATOM 0 H LYS A 12 -4.340 3.357 2.785 1.00 0.46 H new ATOM 0 HA LYS A 12 -5.146 4.075 5.544 1.00 0.52 H new ATOM 0 HB2 LYS A 12 -3.741 5.586 3.703 1.00 0.55 H new ATOM 0 HB3 LYS A 12 -5.389 6.095 3.396 1.00 0.55 H new ATOM 0 HG2 LYS A 12 -5.697 6.752 5.701 1.00 0.72 H new ATOM 0 HG3 LYS A 12 -4.170 6.032 6.169 1.00 0.72 H new ATOM 0 HD2 LYS A 12 -3.703 8.343 6.006 1.00 1.32 H new ATOM 0 HD3 LYS A 12 -3.046 7.661 4.531 1.00 1.32 H new ATOM 0 HE2 LYS A 12 -4.212 9.614 3.851 1.00 1.65 H new ATOM 0 HE3 LYS A 12 -5.244 8.276 3.387 1.00 1.65 H new ATOM 0 HZ1 LYS A 12 -6.401 10.152 4.500 1.00 2.08 H new ATOM 0 HZ2 LYS A 12 -6.645 8.649 5.253 1.00 2.08 H new ATOM 0 HZ3 LYS A 12 -5.570 9.775 5.932 1.00 2.08 H new ATOM 194 N ASN A 13 -7.551 4.857 4.794 1.00 0.55 N ATOM 195 CA ASN A 13 -8.993 4.617 4.786 1.00 0.59 C ATOM 196 C ASN A 13 -9.747 5.461 3.782 1.00 0.58 C ATOM 197 O ASN A 13 -9.503 6.656 3.648 1.00 0.95 O ATOM 198 CB ASN A 13 -9.573 4.851 6.183 1.00 1.01 C ATOM 199 CG ASN A 13 -9.374 6.272 6.677 1.00 2.06 C ATOM 200 OD1 ASN A 13 -10.231 7.136 6.498 1.00 2.81 O ATOM 201 ND2 ASN A 13 -8.242 6.519 7.314 1.00 2.71 N ATOM 0 H ASN A 13 -7.262 5.643 5.376 1.00 0.55 H new ATOM 0 HA ASN A 13 -9.123 3.578 4.484 1.00 0.59 H new ATOM 0 HB2 ASN A 13 -10.639 4.622 6.171 1.00 1.01 H new ATOM 0 HB3 ASN A 13 -9.106 4.160 6.885 1.00 1.01 H new ATOM 0 HD21 ASN A 13 -8.055 7.454 7.677 1.00 2.71 H new ATOM 0 HD22 ASN A 13 -7.556 5.775 7.442 1.00 2.71 H new ATOM 208 N THR A 14 -10.672 4.798 3.100 1.00 0.47 N ATOM 209 CA THR A 14 -11.432 5.350 2.011 1.00 0.74 C ATOM 210 C THR A 14 -12.068 6.719 2.283 1.00 0.54 C ATOM 211 O THR A 14 -11.469 7.762 2.038 1.00 0.70 O ATOM 212 CB THR A 14 -12.480 4.350 1.567 1.00 1.38 C ATOM 213 OG1 THR A 14 -12.044 3.021 1.881 1.00 1.79 O ATOM 214 CG2 THR A 14 -12.722 4.467 0.079 1.00 1.78 C ATOM 0 H THR A 14 -10.914 3.829 3.305 1.00 0.47 H new ATOM 0 HA THR A 14 -10.713 5.538 1.213 1.00 0.74 H new ATOM 0 HB THR A 14 -13.411 4.561 2.093 1.00 1.38 H new ATOM 0 HG1 THR A 14 -12.119 2.455 1.084 1.00 1.79 H new ATOM 0 HG21 THR A 14 -13.477 3.742 -0.225 1.00 1.78 H new ATOM 0 HG22 THR A 14 -13.070 5.473 -0.155 1.00 1.78 H new ATOM 0 HG23 THR A 14 -11.794 4.270 -0.457 1.00 1.78 H new ATOM 222 N LEU A 15 -13.295 6.707 2.726 1.00 0.49 N ATOM 223 CA LEU A 15 -14.038 7.926 2.905 1.00 0.68 C ATOM 224 C LEU A 15 -14.001 8.436 4.352 1.00 0.84 C ATOM 225 O LEU A 15 -13.607 9.570 4.613 1.00 1.18 O ATOM 226 CB LEU A 15 -15.510 7.781 2.513 1.00 0.88 C ATOM 227 CG LEU A 15 -15.749 7.373 1.083 1.00 0.97 C ATOM 228 CD1 LEU A 15 -15.307 5.975 0.944 1.00 0.90 C ATOM 229 CD2 LEU A 15 -17.201 7.556 0.674 1.00 1.39 C ATOM 0 H LEU A 15 -13.806 5.859 2.972 1.00 0.49 H new ATOM 0 HA LEU A 15 -13.544 8.640 2.246 1.00 0.68 H new ATOM 0 HB2 LEU A 15 -15.974 7.044 3.168 1.00 0.88 H new ATOM 0 HB3 LEU A 15 -16.014 8.730 2.694 1.00 0.88 H new ATOM 0 HG LEU A 15 -15.179 8.014 0.410 1.00 0.97 H new ATOM 0 HD11 LEU A 15 -15.465 5.644 -0.082 1.00 0.90 H new ATOM 0 HD12 LEU A 15 -14.247 5.902 1.189 1.00 0.90 H new ATOM 0 HD13 LEU A 15 -15.881 5.343 1.622 1.00 0.90 H new ATOM 0 HD21 LEU A 15 -17.328 7.250 -0.364 1.00 1.39 H new ATOM 0 HD22 LEU A 15 -17.839 6.945 1.313 1.00 1.39 H new ATOM 0 HD23 LEU A 15 -17.479 8.605 0.780 1.00 1.39 H new ATOM 241 N GLY A 16 -14.428 7.573 5.291 1.00 0.72 N ATOM 242 CA GLY A 16 -14.747 8.016 6.645 1.00 0.87 C ATOM 243 C GLY A 16 -15.651 7.029 7.399 1.00 0.77 C ATOM 244 O GLY A 16 -15.197 6.387 8.344 1.00 1.27 O ATOM 0 H GLY A 16 -14.557 6.574 5.132 1.00 0.72 H new ATOM 0 HA2 GLY A 16 -13.822 8.154 7.204 1.00 0.87 H new ATOM 0 HA3 GLY A 16 -15.238 8.988 6.598 1.00 0.87 H new ATOM 248 N PRO A 17 -16.949 6.893 7.013 1.00 0.67 N ATOM 249 CA PRO A 17 -17.886 5.913 7.592 1.00 0.76 C ATOM 250 C PRO A 17 -18.201 4.688 6.686 1.00 0.88 C ATOM 251 O PRO A 17 -18.726 4.842 5.582 1.00 1.27 O ATOM 252 CB PRO A 17 -19.135 6.779 7.754 1.00 1.02 C ATOM 253 CG PRO A 17 -19.049 7.820 6.663 1.00 1.42 C ATOM 254 CD PRO A 17 -17.659 7.744 6.062 1.00 1.13 C ATOM 0 HA PRO A 17 -17.487 5.452 8.495 1.00 0.76 H new ATOM 0 HB2 PRO A 17 -20.042 6.182 7.656 1.00 1.02 H new ATOM 0 HB3 PRO A 17 -19.165 7.245 8.739 1.00 1.02 H new ATOM 0 HG2 PRO A 17 -19.806 7.638 5.900 1.00 1.42 H new ATOM 0 HG3 PRO A 17 -19.237 8.815 7.068 1.00 1.42 H new ATOM 0 HD2 PRO A 17 -17.673 7.311 5.062 1.00 1.13 H new ATOM 0 HD3 PRO A 17 -17.199 8.729 5.977 1.00 1.13 H new ATOM 262 N SER A 18 -17.860 3.477 7.172 1.00 1.06 N ATOM 263 CA SER A 18 -18.132 2.199 6.469 1.00 1.31 C ATOM 264 C SER A 18 -17.397 2.053 5.112 1.00 1.10 C ATOM 265 O SER A 18 -17.956 2.378 4.064 1.00 1.50 O ATOM 266 CB SER A 18 -19.641 2.026 6.260 1.00 1.75 C ATOM 267 OG SER A 18 -20.333 2.073 7.499 1.00 2.18 O ATOM 0 H SER A 18 -17.386 3.354 8.067 1.00 1.06 H new ATOM 0 HA SER A 18 -17.740 1.413 7.115 1.00 1.31 H new ATOM 0 HB2 SER A 18 -20.013 2.810 5.601 1.00 1.75 H new ATOM 0 HB3 SER A 18 -19.837 1.075 5.765 1.00 1.75 H new ATOM 0 HG SER A 18 -21.294 1.962 7.341 1.00 2.18 H new ATOM 273 N ARG A 19 -16.146 1.551 5.144 1.00 0.81 N ATOM 274 CA ARG A 19 -15.362 1.268 3.930 1.00 0.66 C ATOM 275 C ARG A 19 -14.036 0.615 4.291 1.00 0.64 C ATOM 276 O ARG A 19 -13.017 0.822 3.637 1.00 1.02 O ATOM 277 CB ARG A 19 -15.109 2.551 3.179 1.00 0.68 C ATOM 278 CG ARG A 19 -15.716 2.617 1.800 1.00 1.15 C ATOM 279 CD ARG A 19 -15.159 1.527 0.926 1.00 1.94 C ATOM 280 NE ARG A 19 -15.944 1.363 -0.291 1.00 2.51 N ATOM 281 CZ ARG A 19 -16.259 0.179 -0.807 1.00 3.32 C ATOM 282 NH1 ARG A 19 -15.725 -0.925 -0.302 1.00 3.76 N ATOM 283 NH2 ARG A 19 -17.092 0.095 -1.833 1.00 3.99 N ATOM 0 H ARG A 19 -15.654 1.332 6.010 1.00 0.81 H new ATOM 0 HA ARG A 19 -15.928 0.582 3.300 1.00 0.66 H new ATOM 0 HB2 ARG A 19 -15.496 3.381 3.769 1.00 0.68 H new ATOM 0 HB3 ARG A 19 -14.032 2.696 3.092 1.00 0.68 H new ATOM 0 HG2 ARG A 19 -16.799 2.518 1.868 1.00 1.15 H new ATOM 0 HG3 ARG A 19 -15.512 3.590 1.353 1.00 1.15 H new ATOM 0 HD2 ARG A 19 -14.127 1.760 0.665 1.00 1.94 H new ATOM 0 HD3 ARG A 19 -15.144 0.588 1.479 1.00 1.94 H new ATOM 0 HE ARG A 19 -16.269 2.201 -0.773 1.00 2.51 H new ATOM 0 HH11 ARG A 19 -15.074 -0.865 0.481 1.00 3.76 H new ATOM 0 HH12 ARG A 19 -15.965 -1.834 -0.696 1.00 3.76 H new ATOM 0 HH21 ARG A 19 -17.496 0.942 -2.232 1.00 3.99 H new ATOM 0 HH22 ARG A 19 -17.329 -0.817 -2.224 1.00 3.99 H new ATOM 297 N ILE A 20 -14.080 -0.145 5.357 1.00 0.52 N ATOM 298 CA ILE A 20 -12.940 -0.989 5.775 1.00 0.51 C ATOM 299 C ILE A 20 -12.568 -1.948 4.650 1.00 0.54 C ATOM 300 O ILE A 20 -13.365 -2.805 4.262 1.00 0.76 O ATOM 301 CB ILE A 20 -13.242 -1.836 7.028 1.00 0.65 C ATOM 302 CG1 ILE A 20 -13.376 -0.946 8.250 1.00 0.78 C ATOM 303 CG2 ILE A 20 -12.157 -2.879 7.277 1.00 0.72 C ATOM 304 CD1 ILE A 20 -13.029 -1.643 9.535 1.00 0.83 C ATOM 0 H ILE A 20 -14.893 -0.210 5.970 1.00 0.52 H new ATOM 0 HA ILE A 20 -12.125 -0.304 6.010 1.00 0.51 H new ATOM 0 HB ILE A 20 -14.183 -2.356 6.849 1.00 0.65 H new ATOM 0 HG12 ILE A 20 -12.729 -0.077 8.130 1.00 0.78 H new ATOM 0 HG13 ILE A 20 -14.399 -0.576 8.311 1.00 0.78 H new ATOM 0 HG21 ILE A 20 -12.405 -3.456 8.168 1.00 0.72 H new ATOM 0 HG22 ILE A 20 -12.091 -3.547 6.418 1.00 0.72 H new ATOM 0 HG23 ILE A 20 -11.199 -2.380 7.423 1.00 0.72 H new ATOM 0 HD11 ILE A 20 -13.146 -0.950 10.368 1.00 0.83 H new ATOM 0 HD12 ILE A 20 -13.692 -2.496 9.677 1.00 0.83 H new ATOM 0 HD13 ILE A 20 -11.996 -1.989 9.494 1.00 0.83 H new ATOM 316 N LEU A 21 -11.367 -1.797 4.124 1.00 0.50 N ATOM 317 CA LEU A 21 -10.913 -2.621 3.016 1.00 0.55 C ATOM 318 C LEU A 21 -9.797 -3.546 3.473 1.00 0.52 C ATOM 319 O LEU A 21 -8.893 -3.130 4.194 1.00 0.75 O ATOM 320 CB LEU A 21 -10.452 -1.727 1.857 1.00 0.72 C ATOM 321 CG LEU A 21 -11.558 -0.857 1.253 1.00 1.39 C ATOM 322 CD1 LEU A 21 -10.995 0.093 0.215 1.00 2.23 C ATOM 323 CD2 LEU A 21 -12.636 -1.729 0.632 1.00 2.20 C ATOM 0 H LEU A 21 -10.686 -1.110 4.446 1.00 0.50 H new ATOM 0 HA LEU A 21 -11.739 -3.239 2.664 1.00 0.55 H new ATOM 0 HB2 LEU A 21 -9.649 -1.080 2.210 1.00 0.72 H new ATOM 0 HB3 LEU A 21 -10.032 -2.357 1.073 1.00 0.72 H new ATOM 0 HG LEU A 21 -11.999 -0.266 2.055 1.00 1.39 H new ATOM 0 HD11 LEU A 21 -11.801 0.699 -0.198 1.00 2.23 H new ATOM 0 HD12 LEU A 21 -10.254 0.743 0.680 1.00 2.23 H new ATOM 0 HD13 LEU A 21 -10.525 -0.479 -0.585 1.00 2.23 H new ATOM 0 HD21 LEU A 21 -13.415 -1.097 0.207 1.00 2.20 H new ATOM 0 HD22 LEU A 21 -12.198 -2.344 -0.154 1.00 2.20 H new ATOM 0 HD23 LEU A 21 -13.069 -2.373 1.398 1.00 2.20 H new ATOM 335 N GLN A 22 -9.874 -4.804 3.071 1.00 0.47 N ATOM 336 CA GLN A 22 -8.893 -5.787 3.459 1.00 0.47 C ATOM 337 C GLN A 22 -7.830 -5.894 2.386 1.00 0.42 C ATOM 338 O GLN A 22 -8.128 -6.188 1.234 1.00 0.51 O ATOM 339 CB GLN A 22 -9.567 -7.140 3.675 1.00 0.60 C ATOM 340 CG GLN A 22 -8.587 -8.259 3.960 1.00 0.71 C ATOM 341 CD GLN A 22 -9.254 -9.617 4.030 1.00 0.97 C ATOM 342 OE1 GLN A 22 -9.367 -10.320 3.026 1.00 1.69 O ATOM 343 NE2 GLN A 22 -9.702 -9.996 5.215 1.00 1.34 N ATOM 0 H GLN A 22 -10.616 -5.164 2.471 1.00 0.47 H new ATOM 0 HA GLN A 22 -8.424 -5.480 4.394 1.00 0.47 H new ATOM 0 HB2 GLN A 22 -10.268 -7.060 4.506 1.00 0.60 H new ATOM 0 HB3 GLN A 22 -10.150 -7.393 2.789 1.00 0.60 H new ATOM 0 HG2 GLN A 22 -7.823 -8.274 3.183 1.00 0.71 H new ATOM 0 HG3 GLN A 22 -8.078 -8.060 4.903 1.00 0.71 H new ATOM 0 HE21 GLN A 22 -9.589 -9.384 6.023 1.00 1.34 H new ATOM 0 HE22 GLN A 22 -10.161 -10.901 5.321 1.00 1.34 H new ATOM 352 N TYR A 23 -6.592 -5.659 2.761 1.00 0.42 N ATOM 353 CA TYR A 23 -5.514 -5.657 1.802 1.00 0.42 C ATOM 354 C TYR A 23 -4.653 -6.887 1.994 1.00 0.41 C ATOM 355 O TYR A 23 -4.431 -7.329 3.118 1.00 0.49 O ATOM 356 CB TYR A 23 -4.667 -4.386 1.908 1.00 0.52 C ATOM 357 CG TYR A 23 -4.039 -4.181 3.261 1.00 0.50 C ATOM 358 CD1 TYR A 23 -4.782 -3.692 4.317 1.00 0.54 C ATOM 359 CD2 TYR A 23 -2.703 -4.476 3.472 1.00 0.58 C ATOM 360 CE1 TYR A 23 -4.215 -3.498 5.561 1.00 0.61 C ATOM 361 CE2 TYR A 23 -2.122 -4.288 4.712 1.00 0.63 C ATOM 362 CZ TYR A 23 -2.882 -3.800 5.754 1.00 0.63 C ATOM 363 OH TYR A 23 -2.309 -3.611 6.992 1.00 0.74 O ATOM 0 H TYR A 23 -6.309 -5.467 3.722 1.00 0.42 H new ATOM 0 HA TYR A 23 -5.949 -5.676 0.803 1.00 0.42 H new ATOM 0 HB2 TYR A 23 -3.880 -4.422 1.155 1.00 0.52 H new ATOM 0 HB3 TYR A 23 -5.292 -3.524 1.674 1.00 0.52 H new ATOM 0 HD1 TYR A 23 -5.825 -3.457 4.167 1.00 0.54 H new ATOM 0 HD2 TYR A 23 -2.107 -4.858 2.657 1.00 0.58 H new ATOM 0 HE1 TYR A 23 -4.810 -3.113 6.376 1.00 0.61 H new ATOM 0 HE2 TYR A 23 -1.079 -4.522 4.864 1.00 0.63 H new ATOM 0 HH TYR A 23 -1.365 -3.873 6.959 1.00 0.74 H new ATOM 373 N HIS A 24 -4.229 -7.470 0.891 1.00 0.50 N ATOM 374 CA HIS A 24 -3.268 -8.554 0.923 1.00 0.57 C ATOM 375 C HIS A 24 -2.003 -8.148 0.192 1.00 0.60 C ATOM 376 O HIS A 24 -1.943 -8.201 -1.028 1.00 0.58 O ATOM 377 CB HIS A 24 -3.867 -9.808 0.297 1.00 0.61 C ATOM 378 CG HIS A 24 -2.936 -10.985 0.248 1.00 0.71 C ATOM 379 ND1 HIS A 24 -1.697 -11.004 0.863 1.00 0.75 N ATOM 380 CD2 HIS A 24 -3.079 -12.194 -0.338 1.00 0.85 C ATOM 381 CE1 HIS A 24 -1.126 -12.175 0.653 1.00 0.88 C ATOM 382 NE2 HIS A 24 -1.943 -12.915 -0.069 1.00 0.94 N ATOM 0 H HIS A 24 -4.538 -7.209 -0.045 1.00 0.50 H new ATOM 0 HA HIS A 24 -3.016 -8.773 1.961 1.00 0.57 H new ATOM 0 HB2 HIS A 24 -4.758 -10.089 0.858 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -4.190 -9.574 -0.717 1.00 0.61 H new ATOM 0 HD2 HIS A 24 -3.930 -12.531 -0.912 1.00 0.85 H new ATOM 0 HE1 HIS A 24 -0.153 -12.476 1.012 1.00 0.88 H new ATOM 0 HE2 HIS A 24 -1.760 -13.870 -0.378 1.00 0.94 H new ATOM 391 N CYS A 25 -1.005 -7.737 0.949 1.00 0.71 N ATOM 392 CA CYS A 25 0.275 -7.353 0.384 1.00 0.74 C ATOM 393 C CYS A 25 1.278 -8.506 0.383 1.00 0.91 C ATOM 394 O CYS A 25 1.606 -9.074 1.422 1.00 1.01 O ATOM 395 CB CYS A 25 0.831 -6.151 1.134 1.00 0.79 C ATOM 396 SG CYS A 25 1.157 -4.721 0.059 1.00 1.12 S ATOM 0 H CYS A 25 -1.056 -7.660 1.965 1.00 0.71 H new ATOM 0 HA CYS A 25 0.110 -7.082 -0.659 1.00 0.74 H new ATOM 0 HB2 CYS A 25 0.126 -5.859 1.912 1.00 0.79 H new ATOM 0 HB3 CYS A 25 1.756 -6.439 1.634 1.00 0.79 H new ATOM 401 N ARG A 26 1.708 -8.870 -0.815 1.00 1.14 N ATOM 402 CA ARG A 26 2.701 -9.927 -1.021 1.00 1.38 C ATOM 403 C ARG A 26 3.448 -9.714 -2.359 1.00 1.87 C ATOM 404 O ARG A 26 2.803 -9.582 -3.395 1.00 2.24 O ATOM 405 CB ARG A 26 2.028 -11.308 -1.039 1.00 1.45 C ATOM 406 CG ARG A 26 0.928 -11.442 -2.084 1.00 2.13 C ATOM 407 CD ARG A 26 0.538 -12.893 -2.319 1.00 2.66 C ATOM 408 NE ARG A 26 1.620 -13.661 -2.928 1.00 3.26 N ATOM 409 CZ ARG A 26 1.454 -14.824 -3.555 1.00 4.00 C ATOM 410 NH1 ARG A 26 0.251 -15.383 -3.629 1.00 4.21 N ATOM 411 NH2 ARG A 26 2.495 -15.432 -4.103 1.00 4.86 N ATOM 0 H ARG A 26 1.379 -8.441 -1.680 1.00 1.14 H new ATOM 0 HA ARG A 26 3.411 -9.883 -0.195 1.00 1.38 H new ATOM 0 HB2 ARG A 26 2.786 -12.069 -1.224 1.00 1.45 H new ATOM 0 HB3 ARG A 26 1.607 -11.510 -0.054 1.00 1.45 H new ATOM 0 HG2 ARG A 26 0.052 -10.879 -1.762 1.00 2.13 H new ATOM 0 HG3 ARG A 26 1.264 -11.000 -3.022 1.00 2.13 H new ATOM 0 HD2 ARG A 26 0.258 -13.351 -1.370 1.00 2.66 H new ATOM 0 HD3 ARG A 26 -0.341 -12.932 -2.963 1.00 2.66 H new ATOM 0 HE ARG A 26 2.565 -13.282 -2.869 1.00 3.26 H new ATOM 0 HH11 ARG A 26 -0.553 -14.921 -3.204 1.00 4.21 H new ATOM 0 HH12 ARG A 26 0.131 -16.274 -4.111 1.00 4.21 H new ATOM 0 HH21 ARG A 26 3.421 -15.009 -4.044 1.00 4.86 H new ATOM 0 HH22 ARG A 26 2.370 -16.323 -4.584 1.00 4.86 H new ATOM 425 N SER A 27 4.782 -9.645 -2.339 1.00 2.10 N ATOM 426 CA SER A 27 5.582 -9.681 -3.577 1.00 2.66 C ATOM 427 C SER A 27 7.071 -9.784 -3.263 1.00 2.39 C ATOM 428 O SER A 27 7.738 -8.784 -2.996 1.00 2.70 O ATOM 429 CB SER A 27 5.326 -8.454 -4.448 1.00 3.73 C ATOM 430 OG SER A 27 5.492 -7.251 -3.716 1.00 4.43 O ATOM 0 H SER A 27 5.334 -9.564 -1.485 1.00 2.10 H new ATOM 0 HA SER A 27 5.272 -10.567 -4.130 1.00 2.66 H new ATOM 0 HB2 SER A 27 6.009 -8.461 -5.297 1.00 3.73 H new ATOM 0 HB3 SER A 27 4.315 -8.498 -4.852 1.00 3.73 H new ATOM 0 HG SER A 27 6.315 -7.301 -3.186 1.00 4.43 H new ATOM 436 N GLY A 28 7.592 -10.999 -3.294 1.00 2.45 N ATOM 437 CA GLY A 28 8.960 -11.237 -2.889 1.00 2.54 C ATOM 438 C GLY A 28 9.109 -12.576 -2.180 1.00 2.68 C ATOM 439 O GLY A 28 9.073 -13.626 -2.813 1.00 3.22 O ATOM 0 H GLY A 28 7.087 -11.832 -3.595 1.00 2.45 H new ATOM 0 HA2 GLY A 28 9.609 -11.214 -3.765 1.00 2.54 H new ATOM 0 HA3 GLY A 28 9.289 -10.436 -2.227 1.00 2.54 H new ATOM 443 N ASN A 29 9.229 -12.533 -0.858 1.00 2.60 N ATOM 444 CA ASN A 29 9.389 -13.748 -0.047 1.00 2.96 C ATOM 445 C ASN A 29 9.069 -13.475 1.439 1.00 2.76 C ATOM 446 O ASN A 29 9.754 -13.956 2.336 1.00 3.04 O ATOM 447 CB ASN A 29 10.820 -14.294 -0.204 1.00 3.49 C ATOM 448 CG ASN A 29 10.991 -15.717 0.312 1.00 4.17 C ATOM 449 OD1 ASN A 29 11.372 -15.938 1.461 1.00 4.66 O ATOM 450 ND2 ASN A 29 10.715 -16.692 -0.538 1.00 4.63 N ATOM 0 H ASN A 29 9.219 -11.668 -0.317 1.00 2.60 H new ATOM 0 HA ASN A 29 8.681 -14.497 -0.403 1.00 2.96 H new ATOM 0 HB2 ASN A 29 11.098 -14.263 -1.257 1.00 3.49 H new ATOM 0 HB3 ASN A 29 11.510 -13.639 0.327 1.00 3.49 H new ATOM 0 HD21 ASN A 29 10.816 -17.665 -0.248 1.00 4.63 H new ATOM 0 HD22 ASN A 29 10.401 -16.471 -1.483 1.00 4.63 H new ATOM 457 N THR A 30 8.035 -12.673 1.695 1.00 2.45 N ATOM 458 CA THR A 30 7.552 -12.442 3.061 1.00 2.33 C ATOM 459 C THR A 30 6.044 -12.216 3.065 1.00 2.07 C ATOM 460 O THR A 30 5.568 -11.101 2.861 1.00 2.10 O ATOM 461 CB THR A 30 8.258 -11.227 3.691 1.00 2.45 C ATOM 462 OG1 THR A 30 8.999 -10.549 2.676 1.00 2.93 O ATOM 463 CG2 THR A 30 9.183 -11.672 4.805 1.00 2.70 C ATOM 0 H THR A 30 7.514 -12.171 0.976 1.00 2.45 H new ATOM 0 HA THR A 30 7.781 -13.329 3.652 1.00 2.33 H new ATOM 0 HB THR A 30 7.514 -10.553 4.117 1.00 2.45 H new ATOM 0 HG1 THR A 30 8.436 -9.861 2.264 1.00 2.93 H new ATOM 0 HG21 THR A 30 9.674 -10.801 5.240 1.00 2.70 H new ATOM 0 HG22 THR A 30 8.606 -12.185 5.574 1.00 2.70 H new ATOM 0 HG23 THR A 30 9.936 -12.351 4.404 1.00 2.70 H new ATOM 471 N ASN A 31 5.294 -13.267 3.332 1.00 1.97 N ATOM 472 CA ASN A 31 3.844 -13.217 3.191 1.00 1.75 C ATOM 473 C ASN A 31 3.196 -12.780 4.494 1.00 1.78 C ATOM 474 O ASN A 31 2.845 -13.609 5.332 1.00 2.34 O ATOM 475 CB ASN A 31 3.314 -14.588 2.761 1.00 2.09 C ATOM 476 CG ASN A 31 1.856 -14.549 2.352 1.00 2.43 C ATOM 477 OD1 ASN A 31 1.533 -14.202 1.216 1.00 2.89 O ATOM 478 ND2 ASN A 31 0.971 -14.921 3.264 1.00 2.98 N ATOM 0 H ASN A 31 5.659 -14.166 3.647 1.00 1.97 H new ATOM 0 HA ASN A 31 3.591 -12.486 2.424 1.00 1.75 H new ATOM 0 HB2 ASN A 31 3.911 -14.959 1.928 1.00 2.09 H new ATOM 0 HB3 ASN A 31 3.438 -15.295 3.582 1.00 2.09 H new ATOM 0 HD21 ASN A 31 -0.023 -14.928 3.037 1.00 2.98 H new ATOM 0 HD22 ASN A 31 1.284 -15.201 4.194 1.00 2.98 H new ATOM 485 N VAL A 32 3.032 -11.472 4.655 1.00 1.39 N ATOM 486 CA VAL A 32 2.557 -10.918 5.930 1.00 1.52 C ATOM 487 C VAL A 32 1.564 -9.778 5.680 1.00 1.38 C ATOM 488 O VAL A 32 1.307 -8.942 6.546 1.00 2.10 O ATOM 489 CB VAL A 32 3.744 -10.379 6.783 1.00 2.13 C ATOM 490 CG1 VAL A 32 3.319 -10.081 8.215 1.00 2.68 C ATOM 491 CG2 VAL A 32 4.927 -11.340 6.774 1.00 2.64 C ATOM 0 H VAL A 32 3.217 -10.777 3.931 1.00 1.39 H new ATOM 0 HA VAL A 32 2.064 -11.722 6.476 1.00 1.52 H new ATOM 0 HB VAL A 32 4.061 -9.444 6.320 1.00 2.13 H new ATOM 0 HG11 VAL A 32 4.174 -9.707 8.778 1.00 2.68 H new ATOM 0 HG12 VAL A 32 2.530 -9.329 8.211 1.00 2.68 H new ATOM 0 HG13 VAL A 32 2.948 -10.993 8.682 1.00 2.68 H new ATOM 0 HG21 VAL A 32 5.734 -10.929 7.380 1.00 2.64 H new ATOM 0 HG22 VAL A 32 4.618 -12.301 7.185 1.00 2.64 H new ATOM 0 HG23 VAL A 32 5.276 -11.478 5.751 1.00 2.64 H new ATOM 501 N GLY A 33 0.973 -9.764 4.501 1.00 1.00 N ATOM 502 CA GLY A 33 0.277 -8.580 4.068 1.00 1.43 C ATOM 503 C GLY A 33 -1.233 -8.648 4.100 1.00 0.99 C ATOM 504 O GLY A 33 -1.869 -7.800 3.494 1.00 1.13 O ATOM 0 H GLY A 33 0.963 -10.543 3.842 1.00 1.00 H new ATOM 0 HA2 GLY A 33 0.596 -7.746 4.693 1.00 1.43 H new ATOM 0 HA3 GLY A 33 0.589 -8.352 3.049 1.00 1.43 H new ATOM 508 N VAL A 34 -1.830 -9.619 4.776 1.00 0.80 N ATOM 509 CA VAL A 34 -3.296 -9.659 4.833 1.00 0.56 C ATOM 510 C VAL A 34 -3.820 -9.096 6.142 1.00 0.63 C ATOM 511 O VAL A 34 -3.628 -9.678 7.212 1.00 1.03 O ATOM 512 CB VAL A 34 -3.911 -11.057 4.639 1.00 0.89 C ATOM 513 CG1 VAL A 34 -5.433 -10.944 4.648 1.00 1.17 C ATOM 514 CG2 VAL A 34 -3.437 -11.691 3.348 1.00 1.06 C ATOM 0 H VAL A 34 -1.350 -10.366 5.277 1.00 0.80 H new ATOM 0 HA VAL A 34 -3.604 -9.042 3.989 1.00 0.56 H new ATOM 0 HB VAL A 34 -3.587 -11.698 5.459 1.00 0.89 H new ATOM 0 HG11 VAL A 34 -5.872 -11.932 4.511 1.00 1.17 H new ATOM 0 HG12 VAL A 34 -5.761 -10.530 5.601 1.00 1.17 H new ATOM 0 HG13 VAL A 34 -5.754 -10.289 3.838 1.00 1.17 H new ATOM 0 HG21 VAL A 34 -3.889 -12.677 3.240 1.00 1.06 H new ATOM 0 HG22 VAL A 34 -3.729 -11.064 2.506 1.00 1.06 H new ATOM 0 HG23 VAL A 34 -2.352 -11.789 3.368 1.00 1.06 H new ATOM 524 N GLN A 35 -4.484 -7.964 6.033 1.00 0.63 N ATOM 525 CA GLN A 35 -5.138 -7.309 7.143 1.00 0.85 C ATOM 526 C GLN A 35 -6.254 -6.454 6.621 1.00 0.70 C ATOM 527 O GLN A 35 -6.312 -6.153 5.432 1.00 0.82 O ATOM 528 CB GLN A 35 -4.154 -6.430 7.901 1.00 1.45 C ATOM 529 CG GLN A 35 -3.349 -7.192 8.916 1.00 2.06 C ATOM 530 CD GLN A 35 -2.437 -6.299 9.730 1.00 2.71 C ATOM 531 OE1 GLN A 35 -2.738 -5.128 9.959 1.00 3.16 O ATOM 532 NE2 GLN A 35 -1.311 -6.842 10.163 1.00 3.28 N ATOM 0 H GLN A 35 -4.585 -7.464 5.150 1.00 0.63 H new ATOM 0 HA GLN A 35 -5.527 -8.070 7.820 1.00 0.85 H new ATOM 0 HB2 GLN A 35 -3.477 -5.955 7.191 1.00 1.45 H new ATOM 0 HB3 GLN A 35 -4.700 -5.632 8.403 1.00 1.45 H new ATOM 0 HG2 GLN A 35 -4.026 -7.721 9.587 1.00 2.06 H new ATOM 0 HG3 GLN A 35 -2.751 -7.947 8.406 1.00 2.06 H new ATOM 0 HE21 GLN A 35 -1.100 -7.817 9.950 1.00 3.28 H new ATOM 0 HE22 GLN A 35 -0.654 -6.286 10.709 1.00 3.28 H new ATOM 541 N TYR A 36 -7.142 -6.072 7.503 1.00 0.78 N ATOM 542 CA TYR A 36 -8.151 -5.105 7.146 1.00 0.73 C ATOM 543 C TYR A 36 -7.654 -3.734 7.505 1.00 0.78 C ATOM 544 O TYR A 36 -6.861 -3.573 8.433 1.00 1.06 O ATOM 545 CB TYR A 36 -9.483 -5.358 7.817 1.00 0.94 C ATOM 546 CG TYR A 36 -9.426 -5.172 9.286 1.00 1.62 C ATOM 547 CD1 TYR A 36 -8.807 -6.107 10.071 1.00 2.09 C ATOM 548 CD2 TYR A 36 -9.981 -4.065 9.869 1.00 2.13 C ATOM 549 CE1 TYR A 36 -8.727 -5.951 11.433 1.00 3.04 C ATOM 550 CE2 TYR A 36 -9.922 -3.882 11.236 1.00 3.13 C ATOM 551 CZ TYR A 36 -9.355 -4.819 12.021 1.00 3.57 C ATOM 552 OH TYR A 36 -9.217 -4.661 13.385 1.00 4.60 O ATOM 0 H TYR A 36 -7.188 -6.411 8.464 1.00 0.78 H new ATOM 0 HA TYR A 36 -8.324 -5.192 6.073 1.00 0.73 H new ATOM 0 HB2 TYR A 36 -10.230 -4.684 7.398 1.00 0.94 H new ATOM 0 HB3 TYR A 36 -9.810 -6.374 7.596 1.00 0.94 H new ATOM 0 HD1 TYR A 36 -8.374 -6.983 9.611 1.00 2.09 H new ATOM 0 HD2 TYR A 36 -10.471 -3.326 9.252 1.00 2.13 H new ATOM 0 HE1 TYR A 36 -8.200 -6.670 12.042 1.00 3.04 H new ATOM 0 HE2 TYR A 36 -10.331 -2.985 11.677 1.00 3.13 H new ATOM 0 HH TYR A 36 -9.689 -3.851 13.670 1.00 4.60 H new ATOM 562 N LEU A 37 -8.094 -2.760 6.766 1.00 0.72 N ATOM 563 CA LEU A 37 -7.781 -1.398 7.073 1.00 0.89 C ATOM 564 C LEU A 37 -9.029 -0.759 7.619 1.00 0.70 C ATOM 565 O LEU A 37 -10.018 -0.597 6.902 1.00 0.61 O ATOM 566 CB LEU A 37 -7.236 -0.681 5.822 1.00 1.23 C ATOM 567 CG LEU A 37 -7.037 0.840 5.915 1.00 1.93 C ATOM 568 CD1 LEU A 37 -8.338 1.569 5.657 1.00 2.72 C ATOM 569 CD2 LEU A 37 -6.466 1.245 7.264 1.00 2.57 C ATOM 0 H LEU A 37 -8.677 -2.886 5.938 1.00 0.72 H new ATOM 0 HA LEU A 37 -6.994 -1.328 7.824 1.00 0.89 H new ATOM 0 HB2 LEU A 37 -6.278 -1.132 5.565 1.00 1.23 H new ATOM 0 HB3 LEU A 37 -7.916 -0.883 4.994 1.00 1.23 H new ATOM 0 HG LEU A 37 -6.318 1.123 5.146 1.00 1.93 H new ATOM 0 HD11 LEU A 37 -8.173 2.644 5.728 1.00 2.72 H new ATOM 0 HD12 LEU A 37 -8.701 1.323 4.659 1.00 2.72 H new ATOM 0 HD13 LEU A 37 -9.078 1.266 6.398 1.00 2.72 H new ATOM 0 HD21 LEU A 37 -6.338 2.327 7.295 1.00 2.57 H new ATOM 0 HD22 LEU A 37 -7.149 0.938 8.056 1.00 2.57 H new ATOM 0 HD23 LEU A 37 -5.500 0.761 7.410 1.00 2.57 H new ATOM 581 N ASN A 38 -9.007 -0.453 8.902 1.00 0.78 N ATOM 582 CA ASN A 38 -10.160 0.143 9.515 1.00 0.73 C ATOM 583 C ASN A 38 -10.371 1.526 8.991 1.00 0.68 C ATOM 584 O ASN A 38 -9.446 2.227 8.575 1.00 0.75 O ATOM 585 CB ASN A 38 -10.091 0.179 11.036 1.00 0.94 C ATOM 586 CG ASN A 38 -8.946 1.026 11.567 1.00 1.62 C ATOM 587 OD1 ASN A 38 -9.089 2.236 11.760 1.00 2.32 O ATOM 588 ND2 ASN A 38 -7.811 0.396 11.821 1.00 2.29 N ATOM 0 H ASN A 38 -8.214 -0.607 9.525 1.00 0.78 H new ATOM 0 HA ASN A 38 -11.004 -0.494 9.251 1.00 0.73 H new ATOM 0 HB2 ASN A 38 -11.032 0.567 11.426 1.00 0.94 H new ATOM 0 HB3 ASN A 38 -9.986 -0.839 11.412 1.00 0.94 H new ATOM 0 HD21 ASN A 38 -7.013 0.912 12.191 1.00 2.29 H new ATOM 0 HD22 ASN A 38 -7.734 -0.606 11.647 1.00 2.29 H new ATOM 595 N PHE A 39 -11.598 1.915 9.060 1.00 0.68 N ATOM 596 CA PHE A 39 -12.059 3.070 8.362 1.00 0.72 C ATOM 597 C PHE A 39 -12.029 4.286 9.261 1.00 0.83 C ATOM 598 O PHE A 39 -13.054 4.701 9.805 1.00 1.66 O ATOM 599 CB PHE A 39 -13.443 2.786 7.854 1.00 0.85 C ATOM 600 CG PHE A 39 -13.826 3.586 6.674 1.00 1.07 C ATOM 601 CD1 PHE A 39 -12.929 3.869 5.670 1.00 1.35 C ATOM 602 CD2 PHE A 39 -15.107 4.024 6.548 1.00 1.43 C ATOM 603 CE1 PHE A 39 -13.324 4.568 4.581 1.00 1.80 C ATOM 604 CE2 PHE A 39 -15.503 4.728 5.457 1.00 1.87 C ATOM 605 CZ PHE A 39 -14.623 4.995 4.476 1.00 2.03 C ATOM 0 H PHE A 39 -12.316 1.439 9.606 1.00 0.68 H new ATOM 0 HA PHE A 39 -11.404 3.291 7.519 1.00 0.72 H new ATOM 0 HB2 PHE A 39 -13.516 1.728 7.602 1.00 0.85 H new ATOM 0 HB3 PHE A 39 -14.158 2.973 8.655 1.00 0.85 H new ATOM 0 HD1 PHE A 39 -11.906 3.532 5.751 1.00 1.35 H new ATOM 0 HD2 PHE A 39 -15.821 3.808 7.329 1.00 1.43 H new ATOM 0 HE1 PHE A 39 -12.617 4.789 3.795 1.00 1.80 H new ATOM 0 HE2 PHE A 39 -16.523 5.073 5.377 1.00 1.87 H new ATOM 0 HZ PHE A 39 -14.940 5.547 3.603 1.00 2.03 H new ATOM 615 N LYS A 40 -10.837 4.845 9.405 1.00 0.86 N ATOM 616 CA LYS A 40 -10.616 5.981 10.292 1.00 0.97 C ATOM 617 C LYS A 40 -9.141 6.375 10.316 1.00 0.72 C ATOM 618 O LYS A 40 -8.812 7.558 10.403 1.00 1.17 O ATOM 619 CB LYS A 40 -11.084 5.652 11.714 1.00 1.52 C ATOM 620 CG LYS A 40 -11.225 6.866 12.622 1.00 2.18 C ATOM 621 CD LYS A 40 -12.236 7.874 12.080 1.00 2.89 C ATOM 622 CE LYS A 40 -13.637 7.285 11.956 1.00 3.36 C ATOM 623 NZ LYS A 40 -14.208 6.904 13.276 1.00 3.76 N ATOM 0 H LYS A 40 -10.000 4.528 8.915 1.00 0.86 H new ATOM 0 HA LYS A 40 -11.197 6.820 9.910 1.00 0.97 H new ATOM 0 HB2 LYS A 40 -12.045 5.140 11.659 1.00 1.52 H new ATOM 0 HB3 LYS A 40 -10.377 4.955 12.165 1.00 1.52 H new ATOM 0 HG2 LYS A 40 -11.534 6.541 13.615 1.00 2.18 H new ATOM 0 HG3 LYS A 40 -10.255 7.350 12.733 1.00 2.18 H new ATOM 0 HD2 LYS A 40 -12.267 8.742 12.738 1.00 2.89 H new ATOM 0 HD3 LYS A 40 -11.905 8.226 11.103 1.00 2.89 H new ATOM 0 HE2 LYS A 40 -14.293 8.011 11.475 1.00 3.36 H new ATOM 0 HE3 LYS A 40 -13.604 6.408 11.310 1.00 3.36 H new ATOM 0 HZ1 LYS A 40 -15.201 6.620 13.156 1.00 3.76 H new ATOM 0 HZ2 LYS A 40 -13.667 6.109 13.672 1.00 3.76 H new ATOM 0 HZ3 LYS A 40 -14.156 7.716 13.924 1.00 3.76 H new ATOM 637 N GLY A 41 -8.253 5.390 10.223 1.00 0.71 N ATOM 638 CA GLY A 41 -6.834 5.682 10.323 1.00 1.13 C ATOM 639 C GLY A 41 -5.977 4.916 9.331 1.00 0.94 C ATOM 640 O GLY A 41 -6.418 4.599 8.224 1.00 1.09 O ATOM 0 H GLY A 41 -8.486 4.407 10.082 1.00 0.71 H new ATOM 0 HA2 GLY A 41 -6.681 6.750 10.171 1.00 1.13 H new ATOM 0 HA3 GLY A 41 -6.496 5.452 11.334 1.00 1.13 H new ATOM 644 N THR A 42 -4.746 4.639 9.738 1.00 0.82 N ATOM 645 CA THR A 42 -3.767 3.950 8.908 1.00 0.68 C ATOM 646 C THR A 42 -3.529 2.523 9.391 1.00 0.65 C ATOM 647 O THR A 42 -3.815 2.184 10.540 1.00 0.75 O ATOM 648 CB THR A 42 -2.426 4.702 8.936 1.00 0.69 C ATOM 649 OG1 THR A 42 -2.229 5.305 10.224 1.00 0.81 O ATOM 650 CG2 THR A 42 -2.373 5.758 7.852 1.00 0.71 C ATOM 0 H THR A 42 -4.395 4.889 10.663 1.00 0.82 H new ATOM 0 HA THR A 42 -4.166 3.920 7.894 1.00 0.68 H new ATOM 0 HB THR A 42 -1.627 3.985 8.750 1.00 0.69 H new ATOM 0 HG1 THR A 42 -1.372 5.781 10.235 1.00 0.81 H new ATOM 0 HG21 THR A 42 -1.414 6.275 7.894 1.00 0.71 H new ATOM 0 HG22 THR A 42 -2.488 5.285 6.877 1.00 0.71 H new ATOM 0 HG23 THR A 42 -3.179 6.476 8.004 1.00 0.71 H new ATOM 658 N ARG A 43 -3.008 1.700 8.499 1.00 0.58 N ATOM 659 CA ARG A 43 -2.522 0.377 8.841 1.00 0.58 C ATOM 660 C ARG A 43 -1.175 0.207 8.187 1.00 0.52 C ATOM 661 O ARG A 43 -1.077 0.152 6.960 1.00 0.50 O ATOM 662 CB ARG A 43 -3.482 -0.723 8.399 1.00 0.67 C ATOM 663 CG ARG A 43 -4.705 -0.868 9.294 1.00 0.86 C ATOM 664 CD ARG A 43 -4.319 -1.087 10.751 1.00 1.27 C ATOM 665 NE ARG A 43 -3.511 -2.291 10.937 1.00 1.59 N ATOM 666 CZ ARG A 43 -2.712 -2.493 11.983 1.00 2.26 C ATOM 667 NH1 ARG A 43 -2.605 -1.575 12.934 1.00 2.74 N ATOM 668 NH2 ARG A 43 -2.022 -3.619 12.080 1.00 3.01 N ATOM 0 H ARG A 43 -2.910 1.933 7.511 1.00 0.58 H new ATOM 0 HA ARG A 43 -2.442 0.289 9.924 1.00 0.58 H new ATOM 0 HB2 ARG A 43 -3.811 -0.517 7.380 1.00 0.67 H new ATOM 0 HB3 ARG A 43 -2.946 -1.672 8.375 1.00 0.67 H new ATOM 0 HG2 ARG A 43 -5.323 0.026 9.212 1.00 0.86 H new ATOM 0 HG3 ARG A 43 -5.310 -1.706 8.949 1.00 0.86 H new ATOM 0 HD2 ARG A 43 -3.764 -0.221 11.111 1.00 1.27 H new ATOM 0 HD3 ARG A 43 -5.222 -1.161 11.356 1.00 1.27 H new ATOM 0 HE ARG A 43 -3.562 -3.019 10.224 1.00 1.59 H new ATOM 0 HH11 ARG A 43 -3.137 -0.707 12.867 1.00 2.74 H new ATOM 0 HH12 ARG A 43 -1.991 -1.737 13.732 1.00 2.74 H new ATOM 0 HH21 ARG A 43 -2.103 -4.331 11.354 1.00 3.01 H new ATOM 0 HH22 ARG A 43 -1.410 -3.775 12.881 1.00 3.01 H new ATOM 682 N ILE A 44 -0.135 0.175 8.993 1.00 0.52 N ATOM 683 CA ILE A 44 1.197 0.311 8.461 1.00 0.51 C ATOM 684 C ILE A 44 1.978 -0.980 8.490 1.00 0.58 C ATOM 685 O ILE A 44 2.178 -1.607 9.532 1.00 0.66 O ATOM 686 CB ILE A 44 2.003 1.411 9.172 1.00 0.53 C ATOM 687 CG1 ILE A 44 1.272 2.738 9.071 1.00 0.56 C ATOM 688 CG2 ILE A 44 3.368 1.550 8.530 1.00 0.59 C ATOM 689 CD1 ILE A 44 0.309 3.009 10.206 1.00 0.61 C ATOM 0 H ILE A 44 -0.187 0.058 10.005 1.00 0.52 H new ATOM 0 HA ILE A 44 1.054 0.598 7.419 1.00 0.51 H new ATOM 0 HB ILE A 44 2.118 1.135 10.220 1.00 0.53 H new ATOM 0 HG12 ILE A 44 2.007 3.542 9.035 1.00 0.56 H new ATOM 0 HG13 ILE A 44 0.723 2.766 8.130 1.00 0.56 H new ATOM 0 HG21 ILE A 44 3.932 2.331 9.040 1.00 0.59 H new ATOM 0 HG22 ILE A 44 3.905 0.605 8.609 1.00 0.59 H new ATOM 0 HG23 ILE A 44 3.251 1.814 7.479 1.00 0.59 H new ATOM 0 HD11 ILE A 44 -0.169 3.977 10.054 1.00 0.61 H new ATOM 0 HD12 ILE A 44 -0.452 2.229 10.232 1.00 0.61 H new ATOM 0 HD13 ILE A 44 0.853 3.017 11.151 1.00 0.61 H new ATOM 701 N ILE A 45 2.407 -1.350 7.311 1.00 0.61 N ATOM 702 CA ILE A 45 3.319 -2.439 7.107 1.00 0.74 C ATOM 703 C ILE A 45 4.733 -1.960 7.279 1.00 0.77 C ATOM 704 O ILE A 45 5.000 -0.778 7.102 1.00 0.79 O ATOM 705 CB ILE A 45 3.176 -2.949 5.708 1.00 0.95 C ATOM 706 CG1 ILE A 45 1.795 -3.435 5.505 1.00 1.11 C ATOM 707 CG2 ILE A 45 4.166 -4.042 5.395 1.00 1.62 C ATOM 708 CD1 ILE A 45 1.520 -3.641 4.058 1.00 1.20 C ATOM 0 H ILE A 45 2.123 -0.889 6.447 1.00 0.61 H new ATOM 0 HA ILE A 45 3.096 -3.224 7.830 1.00 0.74 H new ATOM 0 HB ILE A 45 3.386 -2.125 5.026 1.00 0.95 H new ATOM 0 HG12 ILE A 45 1.650 -4.371 6.045 1.00 1.11 H new ATOM 0 HG13 ILE A 45 1.087 -2.716 5.917 1.00 1.11 H new ATOM 0 HG21 ILE A 45 4.023 -4.380 4.369 1.00 1.62 H new ATOM 0 HG22 ILE A 45 5.180 -3.659 5.513 1.00 1.62 H new ATOM 0 HG23 ILE A 45 4.012 -4.878 6.077 1.00 1.62 H new ATOM 0 HD11 ILE A 45 0.499 -3.999 3.929 1.00 1.20 H new ATOM 0 HD12 ILE A 45 1.644 -2.698 3.526 1.00 1.20 H new ATOM 0 HD13 ILE A 45 2.216 -4.378 3.657 1.00 1.20 H new ATOM 720 N LYS A 46 5.643 -2.856 7.585 1.00 0.90 N ATOM 721 CA LYS A 46 7.039 -2.476 7.637 1.00 0.97 C ATOM 722 C LYS A 46 7.968 -3.684 7.582 1.00 1.10 C ATOM 723 O LYS A 46 7.576 -4.800 7.925 1.00 1.20 O ATOM 724 CB LYS A 46 7.335 -1.680 8.914 1.00 1.10 C ATOM 725 CG LYS A 46 7.161 -2.490 10.190 1.00 1.35 C ATOM 726 CD LYS A 46 7.613 -1.709 11.411 1.00 1.85 C ATOM 727 CE LYS A 46 7.428 -2.517 12.688 1.00 2.11 C ATOM 728 NZ LYS A 46 5.996 -2.817 12.957 1.00 2.65 N ATOM 0 H LYS A 46 5.450 -3.835 7.798 1.00 0.90 H new ATOM 0 HA LYS A 46 7.226 -1.858 6.759 1.00 0.97 H new ATOM 0 HB2 LYS A 46 8.357 -1.304 8.869 1.00 1.10 H new ATOM 0 HB3 LYS A 46 6.677 -0.812 8.952 1.00 1.10 H new ATOM 0 HG2 LYS A 46 6.114 -2.771 10.304 1.00 1.35 H new ATOM 0 HG3 LYS A 46 7.733 -3.415 10.116 1.00 1.35 H new ATOM 0 HD2 LYS A 46 8.662 -1.435 11.301 1.00 1.85 H new ATOM 0 HD3 LYS A 46 7.046 -0.780 11.481 1.00 1.85 H new ATOM 0 HE2 LYS A 46 7.985 -3.451 12.610 1.00 2.11 H new ATOM 0 HE3 LYS A 46 7.847 -1.965 13.530 1.00 2.11 H new ATOM 0 HZ1 LYS A 46 5.894 -3.185 13.924 1.00 2.65 H new ATOM 0 HZ2 LYS A 46 5.434 -1.948 12.856 1.00 2.65 H new ATOM 0 HZ3 LYS A 46 5.657 -3.529 12.279 1.00 2.65 H new ATOM 742 N PHE A 47 9.193 -3.435 7.134 1.00 1.20 N ATOM 743 CA PHE A 47 10.297 -4.383 7.283 1.00 1.41 C ATOM 744 C PHE A 47 11.623 -3.643 7.114 1.00 1.59 C ATOM 745 O PHE A 47 11.775 -2.816 6.213 1.00 1.68 O ATOM 746 CB PHE A 47 10.200 -5.586 6.318 1.00 1.50 C ATOM 747 CG PHE A 47 9.802 -6.886 6.999 1.00 1.87 C ATOM 748 CD1 PHE A 47 9.063 -7.868 6.331 1.00 2.53 C ATOM 749 CD2 PHE A 47 10.153 -7.122 8.325 1.00 2.17 C ATOM 750 CE1 PHE A 47 8.692 -9.033 6.975 1.00 3.14 C ATOM 751 CE2 PHE A 47 9.785 -8.290 8.963 1.00 2.69 C ATOM 752 CZ PHE A 47 9.053 -9.244 8.290 1.00 3.10 C ATOM 0 H PHE A 47 9.452 -2.571 6.657 1.00 1.20 H new ATOM 0 HA PHE A 47 10.237 -4.807 8.285 1.00 1.41 H new ATOM 0 HB2 PHE A 47 9.473 -5.357 5.538 1.00 1.50 H new ATOM 0 HB3 PHE A 47 11.163 -5.724 5.826 1.00 1.50 H new ATOM 0 HD1 PHE A 47 8.779 -7.714 5.300 1.00 2.53 H new ATOM 0 HD2 PHE A 47 10.723 -6.379 8.864 1.00 2.17 H new ATOM 0 HE1 PHE A 47 8.118 -9.780 6.448 1.00 3.14 H new ATOM 0 HE2 PHE A 47 10.071 -8.456 9.991 1.00 2.69 H new ATOM 0 HZ PHE A 47 8.762 -10.156 8.791 1.00 3.10 H new ATOM 762 N LYS A 48 12.566 -3.922 8.004 1.00 1.83 N ATOM 763 CA LYS A 48 13.800 -3.146 8.087 1.00 2.13 C ATOM 764 C LYS A 48 14.990 -3.899 7.541 1.00 2.50 C ATOM 765 O LYS A 48 15.988 -3.313 7.122 1.00 3.01 O ATOM 766 CB LYS A 48 14.048 -2.766 9.539 1.00 2.46 C ATOM 767 CG LYS A 48 15.358 -2.033 9.799 1.00 3.10 C ATOM 768 CD LYS A 48 15.524 -1.716 11.278 1.00 3.81 C ATOM 769 CE LYS A 48 16.885 -1.114 11.580 1.00 4.36 C ATOM 770 NZ LYS A 48 17.987 -2.082 11.340 1.00 4.90 N ATOM 0 H LYS A 48 12.501 -4.682 8.681 1.00 1.83 H new ATOM 0 HA LYS A 48 13.679 -2.253 7.474 1.00 2.13 H new ATOM 0 HB2 LYS A 48 13.224 -2.139 9.880 1.00 2.46 H new ATOM 0 HB3 LYS A 48 14.030 -3.672 10.144 1.00 2.46 H new ATOM 0 HG2 LYS A 48 16.194 -2.644 9.459 1.00 3.10 H new ATOM 0 HG3 LYS A 48 15.382 -1.109 9.221 1.00 3.10 H new ATOM 0 HD2 LYS A 48 14.743 -1.023 11.590 1.00 3.81 H new ATOM 0 HD3 LYS A 48 15.393 -2.627 11.861 1.00 3.81 H new ATOM 0 HE2 LYS A 48 17.037 -0.231 10.960 1.00 4.36 H new ATOM 0 HE3 LYS A 48 16.913 -0.783 12.618 1.00 4.36 H new ATOM 0 HZ1 LYS A 48 18.866 -1.718 11.760 1.00 4.90 H new ATOM 0 HZ2 LYS A 48 17.748 -2.996 11.775 1.00 4.90 H new ATOM 0 HZ3 LYS A 48 18.119 -2.210 10.317 1.00 4.90 H new ATOM 879 N ARG A 56 8.143 -8.384 1.240 1.00 3.37 N ATOM 880 CA ARG A 56 7.334 -8.602 0.064 1.00 2.70 C ATOM 881 C ARG A 56 5.909 -8.093 0.225 1.00 2.24 C ATOM 882 O ARG A 56 5.142 -8.582 1.054 1.00 2.47 O ATOM 883 CB ARG A 56 7.366 -10.082 -0.286 1.00 3.43 C ATOM 884 CG ARG A 56 6.136 -10.913 0.081 1.00 4.15 C ATOM 885 CD ARG A 56 6.076 -12.215 -0.706 1.00 4.75 C ATOM 886 NE ARG A 56 4.932 -13.049 -0.343 1.00 5.53 N ATOM 887 CZ ARG A 56 4.794 -14.320 -0.730 1.00 6.18 C ATOM 888 NH1 ARG A 56 5.758 -14.911 -1.429 1.00 6.21 N ATOM 889 NH2 ARG A 56 3.699 -15.002 -0.417 1.00 7.08 N ATOM 0 HA ARG A 56 7.756 -8.022 -0.757 1.00 2.70 H new ATOM 0 HB2 ARG A 56 7.526 -10.172 -1.360 1.00 3.43 H new ATOM 0 HB3 ARG A 56 8.232 -10.526 0.204 1.00 3.43 H new ATOM 0 HG2 ARG A 56 6.152 -11.134 1.148 1.00 4.15 H new ATOM 0 HG3 ARG A 56 5.234 -10.331 -0.110 1.00 4.15 H new ATOM 0 HD2 ARG A 56 6.030 -11.988 -1.771 1.00 4.75 H new ATOM 0 HD3 ARG A 56 6.995 -12.776 -0.540 1.00 4.75 H new ATOM 0 HE ARG A 56 4.200 -12.639 0.237 1.00 5.53 H new ATOM 0 HH11 ARG A 56 6.604 -14.394 -1.670 1.00 6.21 H new ATOM 0 HH12 ARG A 56 5.652 -15.882 -1.724 1.00 6.21 H new ATOM 0 HH21 ARG A 56 2.957 -14.556 0.122 1.00 7.08 H new ATOM 0 HH22 ARG A 56 3.600 -15.972 -0.716 1.00 7.08 H new ATOM 903 N TRP A 57 5.553 -7.093 -0.570 1.00 1.83 N ATOM 904 CA TRP A 57 4.246 -6.472 -0.444 1.00 1.49 C ATOM 905 C TRP A 57 3.734 -5.825 -1.732 1.00 1.19 C ATOM 906 O TRP A 57 4.125 -4.716 -2.087 1.00 1.43 O ATOM 907 CB TRP A 57 4.259 -5.397 0.630 1.00 1.69 C ATOM 908 CG TRP A 57 5.208 -5.653 1.753 1.00 1.83 C ATOM 909 CD1 TRP A 57 6.528 -5.328 1.775 1.00 1.56 C ATOM 910 CD2 TRP A 57 4.931 -6.302 2.999 1.00 2.78 C ATOM 911 NE1 TRP A 57 7.099 -5.758 2.936 1.00 1.85 N ATOM 912 CE2 TRP A 57 6.138 -6.343 3.718 1.00 2.70 C ATOM 913 CE3 TRP A 57 3.784 -6.854 3.578 1.00 3.91 C ATOM 914 CZ2 TRP A 57 6.231 -6.910 4.983 1.00 3.65 C ATOM 915 CZ3 TRP A 57 3.879 -7.415 4.836 1.00 4.90 C ATOM 916 CH2 TRP A 57 5.096 -7.439 5.526 1.00 4.75 C ATOM 0 H TRP A 57 6.145 -6.699 -1.301 1.00 1.83 H new ATOM 0 HA TRP A 57 3.577 -7.292 -0.185 1.00 1.49 H new ATOM 0 HB2 TRP A 57 4.512 -4.443 0.168 1.00 1.69 H new ATOM 0 HB3 TRP A 57 3.253 -5.297 1.037 1.00 1.69 H new ATOM 0 HD1 TRP A 57 7.049 -4.805 0.987 1.00 1.56 H new ATOM 0 HE1 TRP A 57 8.084 -5.660 3.183 1.00 1.85 H new ATOM 0 HE3 TRP A 57 2.841 -6.842 3.051 1.00 3.91 H new ATOM 0 HZ2 TRP A 57 7.169 -6.931 5.518 1.00 3.65 H new ATOM 0 HZ3 TRP A 57 3.000 -7.842 5.295 1.00 4.90 H new ATOM 0 HH2 TRP A 57 5.138 -7.885 6.509 1.00 4.75 H new ATOM 927 N ASN A 58 2.868 -6.531 -2.421 1.00 0.91 N ATOM 928 CA ASN A 58 1.945 -5.917 -3.361 1.00 0.71 C ATOM 929 C ASN A 58 0.550 -6.108 -2.788 1.00 0.59 C ATOM 930 O ASN A 58 0.142 -7.245 -2.555 1.00 0.71 O ATOM 931 CB ASN A 58 2.051 -6.575 -4.737 1.00 0.74 C ATOM 932 CG ASN A 58 1.294 -5.825 -5.820 1.00 1.23 C ATOM 933 OD1 ASN A 58 0.301 -5.151 -5.557 1.00 2.05 O ATOM 934 ND2 ASN A 58 1.756 -5.950 -7.055 1.00 1.91 N ATOM 0 H ASN A 58 2.779 -7.545 -2.350 1.00 0.91 H new ATOM 0 HA ASN A 58 2.175 -4.860 -3.495 1.00 0.71 H new ATOM 0 HB2 ASN A 58 3.102 -6.645 -5.019 1.00 0.74 H new ATOM 0 HB3 ASN A 58 1.669 -7.594 -4.675 1.00 0.74 H new ATOM 0 HD21 ASN A 58 1.284 -5.478 -7.826 1.00 1.91 H new ATOM 0 HD22 ASN A 58 2.584 -6.518 -7.235 1.00 1.91 H new ATOM 941 N CYS A 59 -0.183 -5.025 -2.548 1.00 0.55 N ATOM 942 CA CYS A 59 -1.412 -5.118 -1.761 1.00 0.50 C ATOM 943 C CYS A 59 -2.610 -5.311 -2.671 1.00 0.44 C ATOM 944 O CYS A 59 -2.664 -4.771 -3.772 1.00 0.56 O ATOM 945 CB CYS A 59 -1.663 -3.871 -0.883 1.00 0.60 C ATOM 946 SG CYS A 59 -0.403 -3.474 0.386 1.00 0.76 S ATOM 0 H CYS A 59 0.045 -4.088 -2.879 1.00 0.55 H new ATOM 0 HA CYS A 59 -1.283 -5.977 -1.102 1.00 0.50 H new ATOM 0 HB2 CYS A 59 -1.763 -3.008 -1.542 1.00 0.60 H new ATOM 0 HB3 CYS A 59 -2.621 -4.000 -0.379 1.00 0.60 H new ATOM 951 N LEU A 60 -3.568 -6.088 -2.200 1.00 0.36 N ATOM 952 CA LEU A 60 -4.754 -6.385 -2.962 1.00 0.34 C ATOM 953 C LEU A 60 -5.955 -6.118 -2.067 1.00 0.29 C ATOM 954 O LEU A 60 -6.073 -6.710 -0.999 1.00 0.32 O ATOM 955 CB LEU A 60 -4.700 -7.845 -3.424 1.00 0.44 C ATOM 956 CG LEU A 60 -5.659 -8.233 -4.551 1.00 1.27 C ATOM 957 CD1 LEU A 60 -5.419 -7.382 -5.787 1.00 1.90 C ATOM 958 CD2 LEU A 60 -5.506 -9.707 -4.887 1.00 1.85 C ATOM 0 H LEU A 60 -3.541 -6.527 -1.280 1.00 0.36 H new ATOM 0 HA LEU A 60 -4.829 -5.761 -3.853 1.00 0.34 H new ATOM 0 HB2 LEU A 60 -3.683 -8.064 -3.749 1.00 0.44 H new ATOM 0 HB3 LEU A 60 -4.905 -8.484 -2.565 1.00 0.44 H new ATOM 0 HG LEU A 60 -6.678 -8.053 -4.208 1.00 1.27 H new ATOM 0 HD11 LEU A 60 -6.114 -7.678 -6.573 1.00 1.90 H new ATOM 0 HD12 LEU A 60 -5.575 -6.332 -5.541 1.00 1.90 H new ATOM 0 HD13 LEU A 60 -4.396 -7.525 -6.134 1.00 1.90 H new ATOM 0 HD21 LEU A 60 -6.194 -9.970 -5.690 1.00 1.85 H new ATOM 0 HD22 LEU A 60 -4.483 -9.903 -5.207 1.00 1.85 H new ATOM 0 HD23 LEU A 60 -5.732 -10.307 -4.005 1.00 1.85 H new ATOM 970 N PHE A 61 -6.827 -5.225 -2.496 1.00 0.29 N ATOM 971 CA PHE A 61 -7.898 -4.721 -1.627 1.00 0.28 C ATOM 972 C PHE A 61 -9.216 -5.442 -1.864 1.00 0.37 C ATOM 973 O PHE A 61 -9.807 -5.303 -2.916 1.00 0.48 O ATOM 974 CB PHE A 61 -8.171 -3.241 -1.920 1.00 0.32 C ATOM 975 CG PHE A 61 -7.310 -2.234 -1.230 1.00 0.30 C ATOM 976 CD1 PHE A 61 -6.005 -2.554 -0.967 1.00 0.59 C ATOM 977 CD2 PHE A 61 -7.804 -1.028 -0.767 1.00 0.54 C ATOM 978 CE1 PHE A 61 -5.197 -1.711 -0.268 1.00 0.63 C ATOM 979 CE2 PHE A 61 -6.995 -0.164 -0.070 1.00 0.57 C ATOM 980 CZ PHE A 61 -5.759 -0.244 -0.101 1.00 0.37 C ATOM 0 H PHE A 61 -6.823 -4.829 -3.436 1.00 0.29 H new ATOM 0 HA PHE A 61 -7.555 -4.882 -0.605 1.00 0.28 H new ATOM 0 HB2 PHE A 61 -8.074 -3.087 -2.995 1.00 0.32 H new ATOM 0 HB3 PHE A 61 -9.209 -3.032 -1.660 1.00 0.32 H new ATOM 0 HD1 PHE A 61 -5.609 -3.494 -1.321 1.00 0.59 H new ATOM 0 HD2 PHE A 61 -8.834 -0.763 -0.955 1.00 0.54 H new ATOM 0 HE1 PHE A 61 -4.246 -2.021 0.140 1.00 0.63 H new ATOM 0 HE2 PHE A 61 -7.452 0.612 0.526 1.00 0.57 H new ATOM 0 HZ PHE A 61 -5.117 0.621 -0.020 1.00 0.37 H new ATOM 990 N ARG A 62 -9.717 -6.121 -0.853 1.00 0.47 N ATOM 991 CA ARG A 62 -10.996 -6.815 -0.948 1.00 0.66 C ATOM 992 C ARG A 62 -11.943 -6.221 0.102 1.00 0.89 C ATOM 993 O ARG A 62 -11.500 -5.463 0.963 1.00 1.05 O ATOM 994 CB ARG A 62 -10.814 -8.312 -0.658 1.00 0.84 C ATOM 995 CG ARG A 62 -12.072 -9.139 -0.884 1.00 1.49 C ATOM 996 CD ARG A 62 -12.016 -10.477 -0.163 1.00 1.88 C ATOM 997 NE ARG A 62 -10.940 -11.332 -0.653 1.00 2.29 N ATOM 998 CZ ARG A 62 -11.125 -12.567 -1.119 1.00 2.86 C ATOM 999 NH1 ARG A 62 -12.348 -13.083 -1.189 1.00 3.11 N ATOM 1000 NH2 ARG A 62 -10.086 -13.285 -1.524 1.00 3.63 N ATOM 0 H ARG A 62 -9.258 -6.211 0.053 1.00 0.47 H new ATOM 0 HA ARG A 62 -11.401 -6.696 -1.953 1.00 0.66 H new ATOM 0 HB2 ARG A 62 -10.016 -8.701 -1.291 1.00 0.84 H new ATOM 0 HB3 ARG A 62 -10.490 -8.436 0.375 1.00 0.84 H new ATOM 0 HG2 ARG A 62 -12.941 -8.578 -0.539 1.00 1.49 H new ATOM 0 HG3 ARG A 62 -12.206 -9.309 -1.952 1.00 1.49 H new ATOM 0 HD2 ARG A 62 -11.881 -10.305 0.905 1.00 1.88 H new ATOM 0 HD3 ARG A 62 -12.969 -10.992 -0.285 1.00 1.88 H new ATOM 0 HE ARG A 62 -9.989 -10.963 -0.638 1.00 2.29 H new ATOM 0 HH11 ARG A 62 -13.152 -12.533 -0.885 1.00 3.11 H new ATOM 0 HH12 ARG A 62 -12.483 -14.029 -1.547 1.00 3.11 H new ATOM 0 HH21 ARG A 62 -9.146 -12.892 -1.479 1.00 3.63 H new ATOM 0 HH22 ARG A 62 -10.227 -14.230 -1.881 1.00 3.63 H new ATOM 1014 N GLN A 63 -13.230 -6.544 0.044 1.00 1.13 N ATOM 1015 CA GLN A 63 -14.148 -6.136 1.100 1.00 1.48 C ATOM 1016 C GLN A 63 -15.219 -7.200 1.325 1.00 2.09 C ATOM 1017 O GLN A 63 -15.177 -7.937 2.309 1.00 2.68 O ATOM 1018 CB GLN A 63 -14.791 -4.783 0.774 1.00 1.69 C ATOM 1019 CG GLN A 63 -15.255 -3.992 1.995 1.00 2.15 C ATOM 1020 CD GLN A 63 -16.379 -4.659 2.764 1.00 2.52 C ATOM 1021 OE1 GLN A 63 -16.145 -5.442 3.686 1.00 3.00 O ATOM 1022 NE2 GLN A 63 -17.608 -4.350 2.395 1.00 3.03 N ATOM 0 H GLN A 63 -13.657 -7.080 -0.712 1.00 1.13 H new ATOM 0 HA GLN A 63 -13.575 -6.026 2.021 1.00 1.48 H new ATOM 0 HB2 GLN A 63 -14.075 -4.179 0.217 1.00 1.69 H new ATOM 0 HB3 GLN A 63 -15.646 -4.950 0.118 1.00 1.69 H new ATOM 0 HG2 GLN A 63 -14.407 -3.844 2.664 1.00 2.15 H new ATOM 0 HG3 GLN A 63 -15.584 -3.004 1.673 1.00 2.15 H new ATOM 0 HE21 GLN A 63 -17.761 -3.697 1.626 1.00 3.03 H new ATOM 0 HE22 GLN A 63 -18.405 -4.764 2.878 1.00 3.03 H new ATOM 1031 N GLY A 64 -16.158 -7.287 0.401 1.00 2.55 N ATOM 1032 CA GLY A 64 -17.303 -8.156 0.583 1.00 3.28 C ATOM 1033 C GLY A 64 -17.764 -8.810 -0.697 1.00 3.41 C ATOM 1034 O GLY A 64 -17.299 -9.887 -1.068 1.00 3.88 O ATOM 0 H GLY A 64 -16.150 -6.769 -0.478 1.00 2.55 H new ATOM 0 HA2 GLY A 64 -17.052 -8.930 1.308 1.00 3.28 H new ATOM 0 HA3 GLY A 64 -18.126 -7.579 1.005 1.00 3.28 H new ATOM 1038 N ILE A 65 -18.703 -8.144 -1.347 1.00 3.49 N ATOM 1039 CA ILE A 65 -19.308 -8.608 -2.585 1.00 3.94 C ATOM 1040 C ILE A 65 -18.262 -8.944 -3.644 1.00 4.01 C ATOM 1041 O ILE A 65 -17.440 -8.097 -4.005 1.00 4.32 O ATOM 1042 CB ILE A 65 -20.254 -7.525 -3.137 1.00 4.22 C ATOM 1043 CG1 ILE A 65 -20.880 -7.935 -4.473 1.00 4.91 C ATOM 1044 CG2 ILE A 65 -19.487 -6.233 -3.276 1.00 3.92 C ATOM 1045 CD1 ILE A 65 -21.831 -9.108 -4.372 1.00 5.57 C ATOM 0 H ILE A 65 -19.073 -7.250 -1.024 1.00 3.49 H new ATOM 0 HA ILE A 65 -19.862 -9.519 -2.357 1.00 3.94 H new ATOM 0 HB ILE A 65 -21.079 -7.393 -2.437 1.00 4.22 H new ATOM 0 HG12 ILE A 65 -21.415 -7.081 -4.889 1.00 4.91 H new ATOM 0 HG13 ILE A 65 -20.084 -8.185 -5.174 1.00 4.91 H new ATOM 0 HG21 ILE A 65 -20.147 -5.458 -3.666 1.00 3.92 H new ATOM 0 HG22 ILE A 65 -19.107 -5.929 -2.301 1.00 3.92 H new ATOM 0 HG23 ILE A 65 -18.652 -6.378 -3.962 1.00 3.92 H new ATOM 0 HD11 ILE A 65 -22.232 -9.337 -5.359 1.00 5.57 H new ATOM 0 HD12 ILE A 65 -21.297 -9.977 -3.987 1.00 5.57 H new ATOM 0 HD13 ILE A 65 -22.649 -8.856 -3.697 1.00 5.57 H new ATOM 1057 N ASN A 66 -18.267 -10.164 -4.163 1.00 4.06 N ATOM 1058 CA ASN A 66 -17.425 -10.403 -5.311 1.00 4.27 C ATOM 1059 C ASN A 66 -18.252 -10.209 -6.566 1.00 4.09 C ATOM 1060 O ASN A 66 -18.566 -11.152 -7.293 1.00 4.26 O ATOM 1061 CB ASN A 66 -16.862 -11.830 -5.277 1.00 4.76 C ATOM 1062 CG ASN A 66 -15.784 -12.035 -4.228 1.00 5.45 C ATOM 1063 OD1 ASN A 66 -15.734 -11.338 -3.215 1.00 5.72 O ATOM 1064 ND2 ASN A 66 -14.915 -13.004 -4.462 1.00 6.08 N ATOM 0 H ASN A 66 -18.813 -10.958 -3.827 1.00 4.06 H new ATOM 0 HA ASN A 66 -16.588 -9.704 -5.299 1.00 4.27 H new ATOM 0 HB2 ASN A 66 -17.677 -12.529 -5.089 1.00 4.76 H new ATOM 0 HB3 ASN A 66 -16.453 -12.074 -6.258 1.00 4.76 H new ATOM 0 HD21 ASN A 66 -14.171 -13.195 -3.791 1.00 6.08 H new ATOM 0 HD22 ASN A 66 -14.989 -13.561 -5.314 1.00 6.08 H new ATOM 1071 N MET A 67 -18.622 -8.960 -6.788 1.00 4.09 N ATOM 1072 CA MET A 67 -19.057 -8.458 -8.076 1.00 4.13 C ATOM 1073 C MET A 67 -17.972 -7.561 -8.640 1.00 3.60 C ATOM 1074 O MET A 67 -17.515 -7.697 -9.771 1.00 3.77 O ATOM 1075 CB MET A 67 -20.367 -7.684 -7.928 1.00 4.54 C ATOM 1076 CG MET A 67 -20.931 -7.164 -9.239 1.00 5.19 C ATOM 1077 SD MET A 67 -22.367 -6.104 -8.996 1.00 6.00 S ATOM 1078 CE MET A 67 -23.524 -7.256 -8.258 1.00 6.30 C ATOM 0 H MET A 67 -18.628 -8.249 -6.056 1.00 4.09 H new ATOM 0 HA MET A 67 -19.233 -9.291 -8.756 1.00 4.13 H new ATOM 0 HB2 MET A 67 -21.108 -8.331 -7.457 1.00 4.54 H new ATOM 0 HB3 MET A 67 -20.205 -6.842 -7.255 1.00 4.54 H new ATOM 0 HG2 MET A 67 -20.158 -6.608 -9.769 1.00 5.19 H new ATOM 0 HG3 MET A 67 -21.208 -8.007 -9.872 1.00 5.19 H new ATOM 0 HE1 MET A 67 -24.531 -6.843 -8.310 1.00 6.30 H new ATOM 0 HE2 MET A 67 -23.491 -8.202 -8.799 1.00 6.30 H new ATOM 0 HE3 MET A 67 -23.254 -7.425 -7.216 1.00 6.30 H new ATOM 1088 N LYS A 68 -17.571 -6.645 -7.765 1.00 3.30 N ATOM 1089 CA LYS A 68 -16.767 -5.482 -8.100 1.00 3.12 C ATOM 1090 C LYS A 68 -15.565 -5.400 -7.176 1.00 2.78 C ATOM 1091 O LYS A 68 -15.179 -4.319 -6.746 1.00 3.25 O ATOM 1092 CB LYS A 68 -17.622 -4.233 -7.882 1.00 3.71 C ATOM 1093 CG LYS A 68 -18.779 -4.084 -8.855 1.00 4.30 C ATOM 1094 CD LYS A 68 -19.621 -2.868 -8.512 1.00 4.85 C ATOM 1095 CE LYS A 68 -20.756 -2.667 -9.502 1.00 5.37 C ATOM 1096 NZ LYS A 68 -21.637 -1.538 -9.103 1.00 5.81 N ATOM 0 H LYS A 68 -17.805 -6.696 -6.774 1.00 3.30 H new ATOM 0 HA LYS A 68 -16.429 -5.556 -9.134 1.00 3.12 H new ATOM 0 HB2 LYS A 68 -18.018 -4.252 -6.867 1.00 3.71 H new ATOM 0 HB3 LYS A 68 -16.983 -3.353 -7.959 1.00 3.71 H new ATOM 0 HG2 LYS A 68 -18.395 -3.991 -9.871 1.00 4.30 H new ATOM 0 HG3 LYS A 68 -19.399 -4.980 -8.829 1.00 4.30 H new ATOM 0 HD2 LYS A 68 -20.031 -2.982 -7.508 1.00 4.85 H new ATOM 0 HD3 LYS A 68 -18.989 -1.980 -8.500 1.00 4.85 H new ATOM 0 HE2 LYS A 68 -20.345 -2.476 -10.493 1.00 5.37 H new ATOM 0 HE3 LYS A 68 -21.345 -3.582 -9.572 1.00 5.37 H new ATOM 0 HZ1 LYS A 68 -22.400 -1.430 -9.801 1.00 5.81 H new ATOM 0 HZ2 LYS A 68 -22.048 -1.732 -8.168 1.00 5.81 H new ATOM 0 HZ3 LYS A 68 -21.080 -0.661 -9.061 1.00 5.81 H new ATOM 1110 N PHE A 69 -14.977 -6.538 -6.882 1.00 2.52 N ATOM 1111 CA PHE A 69 -14.066 -6.654 -5.754 1.00 2.44 C ATOM 1112 C PHE A 69 -12.600 -6.605 -6.175 1.00 2.04 C ATOM 1113 O PHE A 69 -12.253 -6.974 -7.297 1.00 2.83 O ATOM 1114 CB PHE A 69 -14.355 -7.960 -5.007 1.00 3.01 C ATOM 1115 CG PHE A 69 -14.009 -9.201 -5.797 1.00 3.88 C ATOM 1116 CD1 PHE A 69 -12.985 -10.046 -5.391 1.00 4.80 C ATOM 1117 CD2 PHE A 69 -14.716 -9.524 -6.944 1.00 4.14 C ATOM 1118 CE1 PHE A 69 -12.677 -11.183 -6.112 1.00 5.84 C ATOM 1119 CE2 PHE A 69 -14.409 -10.659 -7.669 1.00 5.20 C ATOM 1120 CZ PHE A 69 -13.355 -11.482 -7.250 1.00 6.01 C ATOM 0 H PHE A 69 -15.111 -7.402 -7.408 1.00 2.52 H new ATOM 0 HA PHE A 69 -14.235 -5.797 -5.102 1.00 2.44 H new ATOM 0 HB2 PHE A 69 -13.793 -7.966 -4.073 1.00 3.01 H new ATOM 0 HB3 PHE A 69 -15.412 -7.991 -4.743 1.00 3.01 H new ATOM 0 HD1 PHE A 69 -12.422 -9.811 -4.500 1.00 4.80 H new ATOM 0 HD2 PHE A 69 -15.517 -8.880 -7.275 1.00 4.14 H new ATOM 0 HE1 PHE A 69 -11.891 -11.839 -5.768 1.00 5.84 H new ATOM 0 HE2 PHE A 69 -14.977 -10.910 -8.552 1.00 5.20 H new ATOM 0 HZ PHE A 69 -13.083 -12.351 -7.830 1.00 6.01 H new ATOM 1130 N PHE A 70 -11.766 -6.106 -5.255 1.00 1.22 N ATOM 1131 CA PHE A 70 -10.308 -6.194 -5.345 1.00 0.92 C ATOM 1132 C PHE A 70 -9.661 -5.124 -6.197 1.00 0.79 C ATOM 1133 O PHE A 70 -10.039 -4.873 -7.337 1.00 1.19 O ATOM 1134 CB PHE A 70 -9.860 -7.535 -5.836 1.00 1.37 C ATOM 1135 CG PHE A 70 -9.453 -8.491 -4.765 1.00 1.92 C ATOM 1136 CD1 PHE A 70 -8.731 -8.043 -3.688 1.00 2.15 C ATOM 1137 CD2 PHE A 70 -9.764 -9.834 -4.845 1.00 2.74 C ATOM 1138 CE1 PHE A 70 -8.325 -8.894 -2.709 1.00 2.96 C ATOM 1139 CE2 PHE A 70 -9.363 -10.704 -3.863 1.00 3.59 C ATOM 1140 CZ PHE A 70 -8.638 -10.237 -2.785 1.00 3.63 C ATOM 0 H PHE A 70 -12.091 -5.624 -4.417 1.00 1.22 H new ATOM 0 HA PHE A 70 -9.975 -6.035 -4.319 1.00 0.92 H new ATOM 0 HB2 PHE A 70 -10.668 -7.983 -6.415 1.00 1.37 H new ATOM 0 HB3 PHE A 70 -9.020 -7.395 -6.516 1.00 1.37 H new ATOM 0 HD1 PHE A 70 -8.481 -6.995 -3.617 1.00 2.15 H new ATOM 0 HD2 PHE A 70 -10.328 -10.203 -5.689 1.00 2.74 H new ATOM 0 HE1 PHE A 70 -7.757 -8.519 -1.870 1.00 2.96 H new ATOM 0 HE2 PHE A 70 -9.614 -11.752 -3.933 1.00 3.59 H new ATOM 0 HZ PHE A 70 -8.318 -10.916 -2.008 1.00 3.63 H new ATOM 1150 N THR A 71 -8.631 -4.559 -5.620 1.00 0.58 N ATOM 1151 CA THR A 71 -7.784 -3.578 -6.290 1.00 0.49 C ATOM 1152 C THR A 71 -6.350 -3.792 -5.870 1.00 0.40 C ATOM 1153 O THR A 71 -6.065 -4.091 -4.716 1.00 0.49 O ATOM 1154 CB THR A 71 -8.197 -2.102 -6.047 1.00 0.56 C ATOM 1155 OG1 THR A 71 -7.736 -1.300 -7.141 1.00 0.81 O ATOM 1156 CG2 THR A 71 -7.621 -1.530 -4.755 1.00 0.48 C ATOM 0 H THR A 71 -8.346 -4.762 -4.662 1.00 0.58 H new ATOM 0 HA THR A 71 -7.908 -3.742 -7.360 1.00 0.49 H new ATOM 0 HB THR A 71 -9.284 -2.083 -5.964 1.00 0.56 H new ATOM 0 HG1 THR A 71 -8.420 -0.637 -7.372 1.00 0.81 H new ATOM 0 HG21 THR A 71 -7.944 -0.495 -4.639 1.00 0.48 H new ATOM 0 HG22 THR A 71 -7.975 -2.117 -3.908 1.00 0.48 H new ATOM 0 HG23 THR A 71 -6.532 -1.568 -4.794 1.00 0.48 H new ATOM 1164 N GLU A 72 -5.454 -3.669 -6.808 1.00 0.49 N ATOM 1165 CA GLU A 72 -4.081 -4.006 -6.562 1.00 0.45 C ATOM 1166 C GLU A 72 -3.225 -2.751 -6.444 1.00 0.47 C ATOM 1167 O GLU A 72 -3.073 -1.988 -7.403 1.00 0.57 O ATOM 1168 CB GLU A 72 -3.590 -4.919 -7.683 1.00 0.63 C ATOM 1169 CG GLU A 72 -2.090 -5.134 -7.707 1.00 1.19 C ATOM 1170 CD GLU A 72 -1.682 -6.229 -8.665 1.00 1.50 C ATOM 1171 OE1 GLU A 72 -1.309 -5.916 -9.813 1.00 1.83 O ATOM 1172 OE2 GLU A 72 -1.728 -7.411 -8.275 1.00 1.80 O ATOM 0 H GLU A 72 -5.651 -3.337 -7.752 1.00 0.49 H new ATOM 0 HA GLU A 72 -3.997 -4.534 -5.612 1.00 0.45 H new ATOM 0 HB2 GLU A 72 -4.082 -5.887 -7.587 1.00 0.63 H new ATOM 0 HB3 GLU A 72 -3.899 -4.497 -8.639 1.00 0.63 H new ATOM 0 HG2 GLU A 72 -1.597 -4.204 -7.990 1.00 1.19 H new ATOM 0 HG3 GLU A 72 -1.745 -5.385 -6.704 1.00 1.19 H new ATOM 1179 N VAL A 73 -2.679 -2.538 -5.259 1.00 0.44 N ATOM 1180 CA VAL A 73 -1.861 -1.372 -4.991 1.00 0.52 C ATOM 1181 C VAL A 73 -0.469 -1.806 -4.551 1.00 0.64 C ATOM 1182 O VAL A 73 -0.316 -2.495 -3.543 1.00 0.76 O ATOM 1183 CB VAL A 73 -2.473 -0.460 -3.915 1.00 0.52 C ATOM 1184 CG1 VAL A 73 -2.362 0.993 -4.337 1.00 0.66 C ATOM 1185 CG2 VAL A 73 -3.913 -0.832 -3.642 1.00 0.53 C ATOM 0 H VAL A 73 -2.790 -3.165 -4.462 1.00 0.44 H new ATOM 0 HA VAL A 73 -1.805 -0.800 -5.917 1.00 0.52 H new ATOM 0 HB VAL A 73 -1.914 -0.598 -2.989 1.00 0.52 H new ATOM 0 HG11 VAL A 73 -2.799 1.630 -3.568 1.00 0.66 H new ATOM 0 HG12 VAL A 73 -1.312 1.254 -4.471 1.00 0.66 H new ATOM 0 HG13 VAL A 73 -2.895 1.141 -5.276 1.00 0.66 H new ATOM 0 HG21 VAL A 73 -4.321 -0.171 -2.877 1.00 0.53 H new ATOM 0 HG22 VAL A 73 -4.495 -0.730 -4.558 1.00 0.53 H new ATOM 0 HG23 VAL A 73 -3.963 -1.864 -3.294 1.00 0.53 H new ATOM 1195 N GLU A 74 0.543 -1.405 -5.298 1.00 0.80 N ATOM 1196 CA GLU A 74 1.888 -1.902 -5.084 1.00 0.96 C ATOM 1197 C GLU A 74 2.621 -1.155 -3.973 1.00 0.98 C ATOM 1198 O GLU A 74 3.263 -0.131 -4.214 1.00 1.16 O ATOM 1199 CB GLU A 74 2.674 -1.812 -6.381 1.00 1.24 C ATOM 1200 CG GLU A 74 2.100 -2.670 -7.492 1.00 1.49 C ATOM 1201 CD GLU A 74 3.011 -2.744 -8.692 1.00 1.71 C ATOM 1202 OE1 GLU A 74 3.964 -3.548 -8.672 1.00 2.25 O ATOM 1203 OE2 GLU A 74 2.772 -1.997 -9.665 1.00 2.02 O ATOM 0 H GLU A 74 0.458 -0.734 -6.061 1.00 0.80 H new ATOM 0 HA GLU A 74 1.807 -2.941 -4.765 1.00 0.96 H new ATOM 0 HB2 GLU A 74 2.700 -0.773 -6.710 1.00 1.24 H new ATOM 0 HB3 GLU A 74 3.705 -2.113 -6.195 1.00 1.24 H new ATOM 0 HG2 GLU A 74 1.920 -3.676 -7.114 1.00 1.49 H new ATOM 0 HG3 GLU A 74 1.134 -2.266 -7.797 1.00 1.49 H new ATOM 1210 N ALA A 75 2.528 -1.684 -2.759 1.00 1.06 N ATOM 1211 CA ALA A 75 3.257 -1.144 -1.619 1.00 1.12 C ATOM 1212 C ALA A 75 4.753 -1.158 -1.882 1.00 1.43 C ATOM 1213 O ALA A 75 5.457 -0.179 -1.644 1.00 1.80 O ATOM 1214 CB ALA A 75 2.963 -1.960 -0.378 1.00 1.02 C ATOM 0 H ALA A 75 1.949 -2.494 -2.538 1.00 1.06 H new ATOM 0 HA ALA A 75 2.932 -0.115 -1.467 1.00 1.12 H new ATOM 0 HB1 ALA A 75 3.513 -1.547 0.468 1.00 1.02 H new ATOM 0 HB2 ALA A 75 1.894 -1.928 -0.166 1.00 1.02 H new ATOM 0 HB3 ALA A 75 3.270 -2.993 -0.541 1.00 1.02 H new ATOM 1220 N TYR A 76 5.227 -2.287 -2.365 1.00 1.71 N ATOM 1221 CA TYR A 76 6.625 -2.466 -2.671 1.00 2.10 C ATOM 1222 C TYR A 76 6.765 -3.029 -4.085 1.00 2.93 C ATOM 1223 O TYR A 76 5.926 -3.813 -4.534 1.00 3.37 O ATOM 1224 CB TYR A 76 7.252 -3.394 -1.636 1.00 2.06 C ATOM 1225 CG TYR A 76 8.742 -3.575 -1.814 1.00 2.42 C ATOM 1226 CD1 TYR A 76 9.245 -4.670 -2.504 1.00 3.02 C ATOM 1227 CD2 TYR A 76 9.646 -2.647 -1.307 1.00 2.63 C ATOM 1228 CE1 TYR A 76 10.597 -4.841 -2.684 1.00 3.55 C ATOM 1229 CE2 TYR A 76 11.005 -2.814 -1.483 1.00 3.23 C ATOM 1230 CZ TYR A 76 11.475 -3.912 -2.174 1.00 3.62 C ATOM 1231 OH TYR A 76 12.827 -4.086 -2.349 1.00 4.28 O ATOM 0 H TYR A 76 4.650 -3.106 -2.556 1.00 1.71 H new ATOM 0 HA TYR A 76 7.148 -1.510 -2.633 1.00 2.10 H new ATOM 0 HB2 TYR A 76 7.059 -2.997 -0.639 1.00 2.06 H new ATOM 0 HB3 TYR A 76 6.766 -4.368 -1.691 1.00 2.06 H new ATOM 0 HD1 TYR A 76 8.561 -5.402 -2.907 1.00 3.02 H new ATOM 0 HD2 TYR A 76 9.280 -1.785 -0.769 1.00 2.63 H new ATOM 0 HE1 TYR A 76 10.968 -5.700 -3.223 1.00 3.55 H new ATOM 0 HE2 TYR A 76 11.697 -2.089 -1.082 1.00 3.23 H new ATOM 0 HH TYR A 76 13.309 -3.343 -1.931 1.00 4.28 H new ATOM 1383 N CYS A 85 15.913 4.486 2.653 1.00 2.66 N ATOM 1384 CA CYS A 85 15.924 4.912 4.037 1.00 3.24 C ATOM 1385 C CYS A 85 14.755 5.829 4.320 1.00 3.77 C ATOM 1386 O CYS A 85 13.898 5.550 5.144 1.00 4.31 O ATOM 1387 CB CYS A 85 17.263 5.588 4.372 1.00 3.79 C ATOM 1388 SG CYS A 85 18.515 5.454 3.048 1.00 4.64 S ATOM 0 HA CYS A 85 15.818 4.037 4.678 1.00 3.24 H new ATOM 0 HB2 CYS A 85 17.083 6.642 4.583 1.00 3.79 H new ATOM 0 HB3 CYS A 85 17.664 5.145 5.283 1.00 3.79 H new ATOM 0 HG CYS A 85 17.982 4.895 2.002 1.00 4.64 H new ATOM 1393 N GLY A 86 14.709 6.875 3.575 1.00 4.00 N ATOM 1394 CA GLY A 86 13.720 7.922 3.777 1.00 4.75 C ATOM 1395 C GLY A 86 12.453 7.746 2.954 1.00 4.42 C ATOM 1396 O GLY A 86 11.723 8.714 2.735 1.00 5.13 O ATOM 0 H GLY A 86 15.350 7.048 2.800 1.00 4.00 H new ATOM 0 HA2 GLY A 86 13.453 7.956 4.833 1.00 4.75 H new ATOM 0 HA3 GLY A 86 14.170 8.884 3.531 1.00 4.75 H new ATOM 1400 N LYS A 87 12.178 6.533 2.491 1.00 3.51 N ATOM 1401 CA LYS A 87 11.029 6.311 1.618 1.00 3.25 C ATOM 1402 C LYS A 87 9.908 5.542 2.298 1.00 2.57 C ATOM 1403 O LYS A 87 10.123 4.494 2.902 1.00 2.57 O ATOM 1404 CB LYS A 87 11.438 5.583 0.338 1.00 3.54 C ATOM 1405 CG LYS A 87 12.151 6.477 -0.670 1.00 4.49 C ATOM 1406 CD LYS A 87 11.275 7.650 -1.088 1.00 5.19 C ATOM 1407 CE LYS A 87 12.002 8.590 -2.033 1.00 6.18 C ATOM 1408 NZ LYS A 87 11.202 9.812 -2.309 1.00 6.95 N ATOM 0 H LYS A 87 12.725 5.698 2.701 1.00 3.51 H new ATOM 0 HA LYS A 87 10.650 7.303 1.370 1.00 3.25 H new ATOM 0 HB2 LYS A 87 12.090 4.749 0.597 1.00 3.54 H new ATOM 0 HB3 LYS A 87 10.549 5.159 -0.129 1.00 3.54 H new ATOM 0 HG2 LYS A 87 13.079 6.850 -0.236 1.00 4.49 H new ATOM 0 HG3 LYS A 87 12.423 5.892 -1.549 1.00 4.49 H new ATOM 0 HD2 LYS A 87 10.373 7.275 -1.571 1.00 5.19 H new ATOM 0 HD3 LYS A 87 10.957 8.200 -0.202 1.00 5.19 H new ATOM 0 HE2 LYS A 87 12.962 8.872 -1.600 1.00 6.18 H new ATOM 0 HE3 LYS A 87 12.214 8.074 -2.969 1.00 6.18 H new ATOM 0 HZ1 LYS A 87 11.835 10.580 -2.612 1.00 6.95 H new ATOM 0 HZ2 LYS A 87 10.513 9.613 -3.062 1.00 6.95 H new ATOM 0 HZ3 LYS A 87 10.698 10.099 -1.446 1.00 6.95 H new ATOM 1422 N ARG A 88 8.706 6.078 2.163 1.00 2.48 N ATOM 1423 CA ARG A 88 7.495 5.429 2.632 1.00 2.17 C ATOM 1424 C ARG A 88 6.367 5.706 1.648 1.00 1.70 C ATOM 1425 O ARG A 88 6.365 6.740 0.978 1.00 2.18 O ATOM 1426 CB ARG A 88 7.126 5.905 4.035 1.00 3.14 C ATOM 1427 CG ARG A 88 7.221 7.408 4.222 1.00 3.80 C ATOM 1428 CD ARG A 88 6.958 7.804 5.663 1.00 4.78 C ATOM 1429 NE ARG A 88 7.802 7.057 6.597 1.00 5.43 N ATOM 1430 CZ ARG A 88 8.524 7.614 7.569 1.00 6.34 C ATOM 1431 NH1 ARG A 88 8.559 8.936 7.713 1.00 6.69 N ATOM 1432 NH2 ARG A 88 9.227 6.845 8.389 1.00 7.15 N ATOM 0 H ARG A 88 8.543 6.983 1.721 1.00 2.48 H new ATOM 0 HA ARG A 88 7.665 4.354 2.690 1.00 2.17 H new ATOM 0 HB2 ARG A 88 6.109 5.585 4.260 1.00 3.14 H new ATOM 0 HB3 ARG A 88 7.781 5.417 4.757 1.00 3.14 H new ATOM 0 HG2 ARG A 88 8.212 7.751 3.924 1.00 3.80 H new ATOM 0 HG3 ARG A 88 6.502 7.904 3.570 1.00 3.80 H new ATOM 0 HD2 ARG A 88 7.139 8.872 5.785 1.00 4.78 H new ATOM 0 HD3 ARG A 88 5.909 7.629 5.902 1.00 4.78 H new ATOM 0 HE ARG A 88 7.840 6.043 6.497 1.00 5.43 H new ATOM 0 HH11 ARG A 88 8.030 9.533 7.077 1.00 6.69 H new ATOM 0 HH12 ARG A 88 9.114 9.353 8.460 1.00 6.69 H new ATOM 0 HH21 ARG A 88 9.214 5.832 8.274 1.00 7.15 H new ATOM 0 HH22 ARG A 88 9.781 7.267 9.134 1.00 7.15 H new ATOM 1446 N TYR A 89 5.424 4.783 1.540 1.00 1.34 N ATOM 1447 CA TYR A 89 4.410 4.868 0.498 1.00 1.31 C ATOM 1448 C TYR A 89 3.008 4.680 1.061 1.00 1.05 C ATOM 1449 O TYR A 89 2.705 3.644 1.652 1.00 1.43 O ATOM 1450 CB TYR A 89 4.684 3.804 -0.564 1.00 2.13 C ATOM 1451 CG TYR A 89 4.667 4.323 -1.985 1.00 2.67 C ATOM 1452 CD1 TYR A 89 3.475 4.454 -2.684 1.00 3.40 C ATOM 1453 CD2 TYR A 89 5.847 4.671 -2.629 1.00 2.94 C ATOM 1454 CE1 TYR A 89 3.461 4.918 -3.985 1.00 4.21 C ATOM 1455 CE2 TYR A 89 5.840 5.136 -3.928 1.00 3.68 C ATOM 1456 CZ TYR A 89 4.645 5.258 -4.602 1.00 4.27 C ATOM 1457 OH TYR A 89 4.635 5.720 -5.898 1.00 5.18 O ATOM 0 H TYR A 89 5.339 3.973 2.154 1.00 1.34 H new ATOM 0 HA TYR A 89 4.461 5.863 0.056 1.00 1.31 H new ATOM 0 HB2 TYR A 89 5.656 3.352 -0.366 1.00 2.13 H new ATOM 0 HB3 TYR A 89 3.940 3.013 -0.470 1.00 2.13 H new ATOM 0 HD1 TYR A 89 2.545 4.189 -2.204 1.00 3.40 H new ATOM 0 HD2 TYR A 89 6.786 4.576 -2.104 1.00 2.94 H new ATOM 0 HE1 TYR A 89 2.526 5.014 -4.516 1.00 4.21 H new ATOM 0 HE2 TYR A 89 6.767 5.403 -4.414 1.00 3.68 H new ATOM 0 HH TYR A 89 4.008 5.187 -6.430 1.00 5.18 H new ATOM 1467 N GLU A 90 2.168 5.690 0.889 1.00 0.79 N ATOM 1468 CA GLU A 90 0.768 5.597 1.246 1.00 0.71 C ATOM 1469 C GLU A 90 -0.070 5.170 0.053 1.00 0.53 C ATOM 1470 O GLU A 90 -0.065 5.819 -0.996 1.00 0.63 O ATOM 1471 CB GLU A 90 0.252 6.940 1.765 1.00 1.07 C ATOM 1472 CG GLU A 90 -1.252 6.955 1.994 1.00 1.28 C ATOM 1473 CD GLU A 90 -1.797 8.344 2.258 1.00 1.79 C ATOM 1474 OE1 GLU A 90 -2.580 8.854 1.425 1.00 2.09 O ATOM 1475 OE2 GLU A 90 -1.462 8.931 3.306 1.00 2.07 O ATOM 0 H GLU A 90 2.440 6.592 0.499 1.00 0.79 H new ATOM 0 HA GLU A 90 0.680 4.847 2.032 1.00 0.71 H new ATOM 0 HB2 GLU A 90 0.758 7.180 2.700 1.00 1.07 H new ATOM 0 HB3 GLU A 90 0.512 7.722 1.052 1.00 1.07 H new ATOM 0 HG2 GLU A 90 -1.751 6.535 1.121 1.00 1.28 H new ATOM 0 HG3 GLU A 90 -1.492 6.310 2.839 1.00 1.28 H new ATOM 1482 N LEU A 91 -0.763 4.063 0.215 1.00 0.50 N ATOM 1483 CA LEU A 91 -1.813 3.684 -0.700 1.00 0.43 C ATOM 1484 C LEU A 91 -3.116 3.771 0.054 1.00 0.43 C ATOM 1485 O LEU A 91 -3.450 2.902 0.863 1.00 0.57 O ATOM 1486 CB LEU A 91 -1.634 2.275 -1.266 1.00 0.50 C ATOM 1487 CG LEU A 91 -0.367 1.518 -0.812 1.00 0.93 C ATOM 1488 CD1 LEU A 91 -0.423 0.064 -1.242 1.00 1.82 C ATOM 1489 CD2 LEU A 91 0.889 2.159 -1.389 1.00 1.02 C ATOM 0 H LEU A 91 -0.614 3.405 0.980 1.00 0.50 H new ATOM 0 HA LEU A 91 -1.791 4.358 -1.556 1.00 0.43 H new ATOM 0 HB2 LEU A 91 -2.506 1.681 -0.991 1.00 0.50 H new ATOM 0 HB3 LEU A 91 -1.623 2.341 -2.354 1.00 0.50 H new ATOM 0 HG LEU A 91 -0.329 1.572 0.276 1.00 0.93 H new ATOM 0 HD11 LEU A 91 0.480 -0.448 -0.911 1.00 1.82 H new ATOM 0 HD12 LEU A 91 -1.295 -0.414 -0.796 1.00 1.82 H new ATOM 0 HD13 LEU A 91 -0.494 0.008 -2.328 1.00 1.82 H new ATOM 0 HD21 LEU A 91 1.767 1.606 -1.054 1.00 1.02 H new ATOM 0 HD22 LEU A 91 0.841 2.138 -2.478 1.00 1.02 H new ATOM 0 HD23 LEU A 91 0.959 3.192 -1.049 1.00 1.02 H new ATOM 1501 N SER A 92 -3.833 4.831 -0.187 1.00 0.43 N ATOM 1502 CA SER A 92 -4.977 5.155 0.618 1.00 0.48 C ATOM 1503 C SER A 92 -6.238 4.976 -0.156 1.00 0.43 C ATOM 1504 O SER A 92 -6.306 5.282 -1.342 1.00 0.51 O ATOM 1505 CB SER A 92 -4.858 6.594 1.115 1.00 0.59 C ATOM 1506 OG SER A 92 -4.402 7.457 0.087 1.00 1.23 O ATOM 0 H SER A 92 -3.644 5.491 -0.941 1.00 0.43 H new ATOM 0 HA SER A 92 -5.009 4.479 1.473 1.00 0.48 H new ATOM 0 HB2 SER A 92 -5.827 6.937 1.478 1.00 0.59 H new ATOM 0 HB3 SER A 92 -4.169 6.634 1.959 1.00 0.59 H new ATOM 0 HG SER A 92 -3.643 7.983 0.414 1.00 1.23 H new ATOM 1512 N ALA A 93 -7.243 4.474 0.509 1.00 0.52 N ATOM 1513 CA ALA A 93 -8.504 4.352 -0.103 1.00 0.54 C ATOM 1514 C ALA A 93 -9.228 5.657 0.092 1.00 0.62 C ATOM 1515 O ALA A 93 -8.970 6.337 1.073 1.00 0.83 O ATOM 1516 CB ALA A 93 -9.225 3.188 0.514 1.00 0.66 C ATOM 0 H ALA A 93 -7.196 4.148 1.474 1.00 0.52 H new ATOM 0 HA ALA A 93 -8.433 4.156 -1.173 1.00 0.54 H new ATOM 0 HB1 ALA A 93 -10.205 3.080 0.050 1.00 0.66 H new ATOM 0 HB2 ALA A 93 -8.647 2.277 0.357 1.00 0.66 H new ATOM 0 HB3 ALA A 93 -9.347 3.361 1.583 1.00 0.66 H new ATOM 1522 N ARG A 94 -10.095 6.017 -0.829 1.00 0.91 N ATOM 1523 CA ARG A 94 -10.883 7.256 -0.721 1.00 1.26 C ATOM 1524 C ARG A 94 -11.991 7.249 -1.718 1.00 0.70 C ATOM 1525 O ARG A 94 -11.805 6.873 -2.862 1.00 1.17 O ATOM 1526 CB ARG A 94 -10.019 8.505 -0.963 1.00 2.35 C ATOM 1527 CG ARG A 94 -9.286 9.039 0.262 1.00 3.37 C ATOM 1528 CD ARG A 94 -8.166 9.989 -0.131 1.00 4.38 C ATOM 1529 NE ARG A 94 -7.611 10.700 1.021 1.00 5.11 N ATOM 1530 CZ ARG A 94 -6.311 10.767 1.318 1.00 6.01 C ATOM 1531 NH1 ARG A 94 -5.420 10.068 0.623 1.00 6.36 N ATOM 1532 NH2 ARG A 94 -5.907 11.514 2.336 1.00 6.80 N ATOM 0 H ARG A 94 -10.283 5.474 -1.672 1.00 0.91 H new ATOM 0 HA ARG A 94 -11.282 7.294 0.293 1.00 1.26 H new ATOM 0 HB2 ARG A 94 -9.284 8.274 -1.734 1.00 2.35 H new ATOM 0 HB3 ARG A 94 -10.656 9.296 -1.358 1.00 2.35 H new ATOM 0 HG2 ARG A 94 -9.991 9.555 0.913 1.00 3.37 H new ATOM 0 HG3 ARG A 94 -8.875 8.207 0.833 1.00 3.37 H new ATOM 0 HD2 ARG A 94 -7.373 9.428 -0.625 1.00 4.38 H new ATOM 0 HD3 ARG A 94 -8.543 10.712 -0.854 1.00 4.38 H new ATOM 0 HE ARG A 94 -8.264 11.179 1.642 1.00 5.11 H new ATOM 0 HH11 ARG A 94 -5.727 9.473 -0.146 1.00 6.36 H new ATOM 0 HH12 ARG A 94 -4.429 10.127 0.859 1.00 6.36 H new ATOM 0 HH21 ARG A 94 -6.588 12.034 2.889 1.00 6.80 H new ATOM 0 HH22 ARG A 94 -4.915 11.568 2.567 1.00 6.80 H new ATOM 1546 N MET A 95 -13.149 7.567 -1.181 1.00 0.84 N ATOM 1547 CA MET A 95 -14.356 7.971 -1.911 1.00 1.41 C ATOM 1548 C MET A 95 -14.260 7.789 -3.433 1.00 1.48 C ATOM 1549 O MET A 95 -14.974 6.979 -4.018 1.00 2.12 O ATOM 1550 CB MET A 95 -14.614 9.443 -1.605 1.00 2.09 C ATOM 1551 CG MET A 95 -14.149 9.828 -0.214 1.00 2.32 C ATOM 1552 SD MET A 95 -13.326 11.430 -0.164 1.00 3.26 S ATOM 1553 CE MET A 95 -12.714 11.431 1.519 1.00 3.27 C ATOM 0 H MET A 95 -13.293 7.554 -0.171 1.00 0.84 H new ATOM 0 HA MET A 95 -15.168 7.324 -1.579 1.00 1.41 H new ATOM 0 HB2 MET A 95 -14.101 10.061 -2.342 1.00 2.09 H new ATOM 0 HB3 MET A 95 -15.680 9.651 -1.701 1.00 2.09 H new ATOM 0 HG2 MET A 95 -15.007 9.846 0.458 1.00 2.32 H new ATOM 0 HG3 MET A 95 -13.467 9.064 0.160 1.00 2.32 H new ATOM 0 HE1 MET A 95 -12.178 12.360 1.711 1.00 3.27 H new ATOM 0 HE2 MET A 95 -13.552 11.347 2.211 1.00 3.27 H new ATOM 0 HE3 MET A 95 -12.039 10.587 1.661 1.00 3.27 H new ATOM 1563 N ASP A 96 -13.375 8.564 -4.061 1.00 1.26 N ATOM 1564 CA ASP A 96 -13.189 8.528 -5.510 1.00 1.45 C ATOM 1565 C ASP A 96 -12.289 7.363 -5.941 1.00 1.30 C ATOM 1566 O ASP A 96 -12.739 6.449 -6.633 1.00 1.97 O ATOM 1567 CB ASP A 96 -12.599 9.858 -5.990 1.00 1.76 C ATOM 1568 CG ASP A 96 -12.471 9.936 -7.498 1.00 2.34 C ATOM 1569 OD1 ASP A 96 -13.484 10.206 -8.173 1.00 2.78 O ATOM 1570 OD2 ASP A 96 -11.360 9.708 -8.017 1.00 2.86 O ATOM 0 H ASP A 96 -12.770 9.231 -3.581 1.00 1.26 H new ATOM 0 HA ASP A 96 -14.165 8.374 -5.969 1.00 1.45 H new ATOM 0 HB2 ASP A 96 -13.229 10.676 -5.641 1.00 1.76 H new ATOM 0 HB3 ASP A 96 -11.616 9.998 -5.539 1.00 1.76 H new ATOM 1575 N ALA A 97 -11.025 7.387 -5.519 1.00 0.84 N ATOM 1576 CA ALA A 97 -10.065 6.361 -5.921 1.00 0.62 C ATOM 1577 C ALA A 97 -9.117 5.999 -4.788 1.00 0.60 C ATOM 1578 O ALA A 97 -9.166 6.561 -3.697 1.00 0.92 O ATOM 1579 CB ALA A 97 -9.235 6.825 -7.115 1.00 0.55 C ATOM 0 H ALA A 97 -10.644 8.103 -4.901 1.00 0.84 H new ATOM 0 HA ALA A 97 -10.649 5.482 -6.193 1.00 0.62 H new ATOM 0 HB1 ALA A 97 -8.529 6.043 -7.393 1.00 0.55 H new ATOM 0 HB2 ALA A 97 -9.895 7.035 -7.957 1.00 0.55 H new ATOM 0 HB3 ALA A 97 -8.688 7.729 -6.848 1.00 0.55 H new ATOM 1585 N ILE A 98 -8.260 5.045 -5.087 1.00 0.39 N ATOM 1586 CA ILE A 98 -7.162 4.665 -4.231 1.00 0.34 C ATOM 1587 C ILE A 98 -5.939 5.479 -4.620 1.00 0.32 C ATOM 1588 O ILE A 98 -5.499 5.464 -5.776 1.00 0.35 O ATOM 1589 CB ILE A 98 -6.877 3.157 -4.358 1.00 0.37 C ATOM 1590 CG1 ILE A 98 -8.038 2.392 -3.721 1.00 0.46 C ATOM 1591 CG2 ILE A 98 -5.530 2.790 -3.694 1.00 0.38 C ATOM 1592 CD1 ILE A 98 -7.803 2.038 -2.302 1.00 0.50 C ATOM 0 H ILE A 98 -8.311 4.503 -5.950 1.00 0.39 H new ATOM 0 HA ILE A 98 -7.418 4.866 -3.191 1.00 0.34 H new ATOM 0 HB ILE A 98 -6.794 2.883 -5.410 1.00 0.37 H new ATOM 0 HG12 ILE A 98 -8.943 2.995 -3.792 1.00 0.46 H new ATOM 0 HG13 ILE A 98 -8.218 1.480 -4.290 1.00 0.46 H new ATOM 0 HG21 ILE A 98 -5.353 1.720 -3.798 1.00 0.38 H new ATOM 0 HG22 ILE A 98 -4.724 3.340 -4.179 1.00 0.38 H new ATOM 0 HG23 ILE A 98 -5.563 3.051 -2.636 1.00 0.38 H new ATOM 0 HD11 ILE A 98 -8.666 1.497 -1.914 1.00 0.50 H new ATOM 0 HD12 ILE A 98 -6.916 1.408 -2.226 1.00 0.50 H new ATOM 0 HD13 ILE A 98 -7.653 2.947 -1.720 1.00 0.50 H new ATOM 1604 N TYR A 99 -5.416 6.203 -3.661 1.00 0.40 N ATOM 1605 CA TYR A 99 -4.334 7.134 -3.912 1.00 0.53 C ATOM 1606 C TYR A 99 -3.000 6.425 -3.750 1.00 0.63 C ATOM 1607 O TYR A 99 -2.815 5.651 -2.814 1.00 0.86 O ATOM 1608 CB TYR A 99 -4.440 8.336 -2.970 1.00 0.79 C ATOM 1609 CG TYR A 99 -5.592 9.269 -3.297 1.00 1.11 C ATOM 1610 CD1 TYR A 99 -6.899 8.803 -3.357 1.00 1.77 C ATOM 1611 CD2 TYR A 99 -5.370 10.616 -3.542 1.00 1.50 C ATOM 1612 CE1 TYR A 99 -7.949 9.651 -3.655 1.00 2.60 C ATOM 1613 CE2 TYR A 99 -6.414 11.471 -3.840 1.00 2.26 C ATOM 1614 CZ TYR A 99 -7.701 10.984 -3.895 1.00 2.77 C ATOM 1615 OH TYR A 99 -8.743 11.832 -4.191 1.00 3.67 O ATOM 0 H TYR A 99 -5.723 6.167 -2.689 1.00 0.40 H new ATOM 0 HA TYR A 99 -4.405 7.504 -4.935 1.00 0.53 H new ATOM 0 HB2 TYR A 99 -4.555 7.976 -1.948 1.00 0.79 H new ATOM 0 HB3 TYR A 99 -3.507 8.898 -3.007 1.00 0.79 H new ATOM 0 HD1 TYR A 99 -7.099 7.759 -3.167 1.00 1.77 H new ATOM 0 HD2 TYR A 99 -4.363 11.004 -3.499 1.00 1.50 H new ATOM 0 HE1 TYR A 99 -8.959 9.270 -3.699 1.00 2.60 H new ATOM 0 HE2 TYR A 99 -6.221 12.517 -4.029 1.00 2.26 H new ATOM 0 HH TYR A 99 -8.397 12.738 -4.332 1.00 3.67 H new ATOM 1625 N PHE A 100 -2.085 6.682 -4.668 1.00 0.72 N ATOM 1626 CA PHE A 100 -0.832 5.942 -4.718 1.00 0.91 C ATOM 1627 C PHE A 100 0.354 6.878 -4.933 1.00 1.25 C ATOM 1628 O PHE A 100 0.714 7.183 -6.071 1.00 1.90 O ATOM 1629 CB PHE A 100 -0.913 4.911 -5.850 1.00 1.20 C ATOM 1630 CG PHE A 100 0.285 4.013 -5.974 1.00 1.73 C ATOM 1631 CD1 PHE A 100 1.178 4.169 -7.019 1.00 2.22 C ATOM 1632 CD2 PHE A 100 0.530 3.026 -5.029 1.00 2.19 C ATOM 1633 CE1 PHE A 100 2.290 3.357 -7.123 1.00 2.83 C ATOM 1634 CE2 PHE A 100 1.639 2.210 -5.131 1.00 2.91 C ATOM 1635 CZ PHE A 100 2.479 2.329 -6.231 1.00 3.12 C ATOM 0 H PHE A 100 -2.184 7.396 -5.389 1.00 0.72 H new ATOM 0 HA PHE A 100 -0.678 5.435 -3.765 1.00 0.91 H new ATOM 0 HB2 PHE A 100 -1.798 4.293 -5.697 1.00 1.20 H new ATOM 0 HB3 PHE A 100 -1.053 5.439 -6.793 1.00 1.20 H new ATOM 0 HD1 PHE A 100 1.004 4.934 -7.761 1.00 2.22 H new ATOM 0 HD2 PHE A 100 -0.155 2.895 -4.204 1.00 2.19 H new ATOM 0 HE1 PHE A 100 3.012 3.530 -7.907 1.00 2.83 H new ATOM 0 HE2 PHE A 100 1.852 1.484 -4.361 1.00 2.91 H new ATOM 0 HZ PHE A 100 3.277 1.617 -6.384 1.00 3.12 H new ATOM 1645 N LYS A 101 0.931 7.370 -3.844 1.00 1.07 N ATOM 1646 CA LYS A 101 2.146 8.170 -3.930 1.00 1.43 C ATOM 1647 C LYS A 101 2.965 8.056 -2.651 1.00 1.37 C ATOM 1648 O LYS A 101 2.424 7.824 -1.570 1.00 1.55 O ATOM 1649 CB LYS A 101 1.823 9.638 -4.217 1.00 2.06 C ATOM 1650 CG LYS A 101 3.059 10.472 -4.526 1.00 2.92 C ATOM 1651 CD LYS A 101 2.709 11.843 -5.074 1.00 3.76 C ATOM 1652 CE LYS A 101 2.017 11.749 -6.423 1.00 4.58 C ATOM 1653 NZ LYS A 101 1.780 13.088 -7.021 1.00 5.15 N ATOM 0 H LYS A 101 0.580 7.230 -2.897 1.00 1.07 H new ATOM 0 HA LYS A 101 2.737 7.779 -4.759 1.00 1.43 H new ATOM 0 HB2 LYS A 101 1.134 9.694 -5.060 1.00 2.06 H new ATOM 0 HB3 LYS A 101 1.309 10.066 -3.356 1.00 2.06 H new ATOM 0 HG2 LYS A 101 3.653 10.587 -3.619 1.00 2.92 H new ATOM 0 HG3 LYS A 101 3.680 9.943 -5.249 1.00 2.92 H new ATOM 0 HD2 LYS A 101 2.061 12.362 -4.368 1.00 3.76 H new ATOM 0 HD3 LYS A 101 3.617 12.439 -5.171 1.00 3.76 H new ATOM 0 HE2 LYS A 101 2.625 11.151 -7.102 1.00 4.58 H new ATOM 0 HE3 LYS A 101 1.065 11.230 -6.307 1.00 4.58 H new ATOM 0 HZ1 LYS A 101 1.352 12.977 -7.962 1.00 5.15 H new ATOM 0 HZ2 LYS A 101 1.137 13.632 -6.411 1.00 5.15 H new ATOM 0 HZ3 LYS A 101 2.684 13.594 -7.109 1.00 5.15 H new ATOM 1667 N MET A 102 4.275 8.195 -2.794 1.00 1.76 N ATOM 1668 CA MET A 102 5.176 8.250 -1.655 1.00 2.21 C ATOM 1669 C MET A 102 4.952 9.539 -0.872 1.00 2.42 C ATOM 1670 O MET A 102 4.636 10.579 -1.455 1.00 2.62 O ATOM 1671 CB MET A 102 6.634 8.145 -2.125 1.00 2.82 C ATOM 1672 CG MET A 102 6.990 9.095 -3.259 1.00 3.61 C ATOM 1673 SD MET A 102 8.658 8.824 -3.891 1.00 4.57 S ATOM 1674 CE MET A 102 8.648 9.889 -5.331 1.00 5.14 C ATOM 0 H MET A 102 4.740 8.272 -3.698 1.00 1.76 H new ATOM 0 HA MET A 102 4.967 7.406 -0.997 1.00 2.21 H new ATOM 0 HB2 MET A 102 7.292 8.343 -1.279 1.00 2.82 H new ATOM 0 HB3 MET A 102 6.828 7.122 -2.448 1.00 2.82 H new ATOM 0 HG2 MET A 102 6.273 8.971 -4.071 1.00 3.61 H new ATOM 0 HG3 MET A 102 6.900 10.123 -2.909 1.00 3.61 H new ATOM 0 HE1 MET A 102 9.492 9.639 -5.974 1.00 5.14 H new ATOM 0 HE2 MET A 102 7.718 9.748 -5.882 1.00 5.14 H new ATOM 0 HE3 MET A 102 8.728 10.929 -5.015 1.00 5.14 H new ATOM 1684 N ASP A 103 5.109 9.455 0.448 1.00 2.92 N ATOM 1685 CA ASP A 103 4.851 10.588 1.339 1.00 3.46 C ATOM 1686 C ASP A 103 5.738 11.781 1.030 1.00 3.62 C ATOM 1687 O ASP A 103 6.698 11.673 0.267 1.00 3.77 O ATOM 1688 CB ASP A 103 5.037 10.194 2.799 1.00 4.39 C ATOM 1689 CG ASP A 103 3.900 9.351 3.333 1.00 5.03 C ATOM 1690 OD1 ASP A 103 3.987 8.111 3.259 1.00 5.64 O ATOM 1691 OD2 ASP A 103 2.914 9.936 3.845 1.00 5.25 O ATOM 0 H ASP A 103 5.416 8.609 0.928 1.00 2.92 H new ATOM 0 HA ASP A 103 3.814 10.878 1.167 1.00 3.46 H new ATOM 0 HB2 ASP A 103 5.971 9.643 2.905 1.00 4.39 H new ATOM 0 HB3 ASP A 103 5.129 11.096 3.404 1.00 4.39 H new ATOM 1696 N GLU A 104 5.402 12.913 1.655 1.00 4.02 N ATOM 1697 CA GLU A 104 6.056 14.193 1.412 1.00 4.43 C ATOM 1698 C GLU A 104 5.647 14.741 0.044 1.00 4.28 C ATOM 1699 O GLU A 104 6.118 15.788 -0.398 1.00 4.73 O ATOM 1700 CB GLU A 104 7.567 14.058 1.536 1.00 4.95 C ATOM 1701 CG GLU A 104 8.287 15.377 1.738 1.00 5.34 C ATOM 1702 CD GLU A 104 7.814 16.102 2.980 1.00 6.03 C ATOM 1703 OE1 GLU A 104 7.966 15.552 4.092 1.00 6.26 O ATOM 1704 OE2 GLU A 104 7.286 17.227 2.852 1.00 6.61 O ATOM 0 H GLU A 104 4.659 12.962 2.352 1.00 4.02 H new ATOM 0 HA GLU A 104 5.732 14.906 2.170 1.00 4.43 H new ATOM 0 HB2 GLU A 104 7.796 13.399 2.373 1.00 4.95 H new ATOM 0 HB3 GLU A 104 7.954 13.578 0.637 1.00 4.95 H new ATOM 0 HG2 GLU A 104 9.359 15.196 1.811 1.00 5.34 H new ATOM 0 HG3 GLU A 104 8.130 16.012 0.866 1.00 5.34 H new ATOM 1711 N ARG A 105 4.751 14.016 -0.610 1.00 3.93 N ATOM 1712 CA ARG A 105 4.209 14.409 -1.901 1.00 3.96 C ATOM 1713 C ARG A 105 2.716 14.094 -1.927 1.00 3.41 C ATOM 1714 O ARG A 105 2.301 13.055 -1.416 1.00 3.35 O ATOM 1715 CB ARG A 105 4.926 13.659 -3.026 1.00 4.49 C ATOM 1716 CG ARG A 105 6.419 13.930 -3.086 1.00 4.98 C ATOM 1717 CD ARG A 105 7.085 13.157 -4.210 1.00 5.81 C ATOM 1718 NE ARG A 105 6.553 13.525 -5.520 1.00 6.29 N ATOM 1719 CZ ARG A 105 7.289 13.622 -6.626 1.00 7.10 C ATOM 1720 NH1 ARG A 105 8.598 13.406 -6.582 1.00 7.50 N ATOM 1721 NH2 ARG A 105 6.713 13.942 -7.777 1.00 7.74 N ATOM 0 H ARG A 105 4.378 13.134 -0.258 1.00 3.93 H new ATOM 0 HA ARG A 105 4.361 15.478 -2.051 1.00 3.96 H new ATOM 0 HB2 ARG A 105 4.765 12.589 -2.897 1.00 4.49 H new ATOM 0 HB3 ARG A 105 4.477 13.937 -3.980 1.00 4.49 H new ATOM 0 HG2 ARG A 105 6.590 14.997 -3.227 1.00 4.98 H new ATOM 0 HG3 ARG A 105 6.877 13.657 -2.135 1.00 4.98 H new ATOM 0 HD2 ARG A 105 8.159 13.342 -4.190 1.00 5.81 H new ATOM 0 HD3 ARG A 105 6.943 12.088 -4.049 1.00 5.81 H new ATOM 0 HE ARG A 105 5.554 13.720 -5.592 1.00 6.29 H new ATOM 0 HH11 ARG A 105 9.046 13.164 -5.698 1.00 7.50 H new ATOM 0 HH12 ARG A 105 9.156 13.482 -7.432 1.00 7.50 H new ATOM 0 HH21 ARG A 105 5.708 14.113 -7.814 1.00 7.74 H new ATOM 0 HH22 ARG A 105 7.275 14.017 -8.625 1.00 7.74 H new ATOM 1735 N PRO A 106 1.886 14.984 -2.497 1.00 3.33 N ATOM 1736 CA PRO A 106 0.429 14.804 -2.508 1.00 3.10 C ATOM 1737 C PRO A 106 -0.001 13.569 -3.297 1.00 2.43 C ATOM 1738 O PRO A 106 0.232 13.483 -4.503 1.00 2.29 O ATOM 1739 CB PRO A 106 -0.094 16.073 -3.194 1.00 3.53 C ATOM 1740 CG PRO A 106 1.032 17.045 -3.130 1.00 4.00 C ATOM 1741 CD PRO A 106 2.288 16.227 -3.170 1.00 3.83 C ATOM 0 HA PRO A 106 0.039 14.655 -1.501 1.00 3.10 H new ATOM 0 HB2 PRO A 106 -0.382 15.872 -4.226 1.00 3.53 H new ATOM 0 HB3 PRO A 106 -0.977 16.460 -2.686 1.00 3.53 H new ATOM 0 HG2 PRO A 106 0.994 17.742 -3.967 1.00 4.00 H new ATOM 0 HG3 PRO A 106 0.983 17.640 -2.218 1.00 4.00 H new ATOM 0 HD2 PRO A 106 2.620 16.045 -4.192 1.00 3.83 H new ATOM 0 HD3 PRO A 106 3.110 16.721 -2.651 1.00 3.83 H new ATOM 1749 N PRO A 107 -0.648 12.602 -2.625 1.00 2.31 N ATOM 1750 CA PRO A 107 -1.123 11.371 -3.263 1.00 1.85 C ATOM 1751 C PRO A 107 -2.150 11.653 -4.349 1.00 1.51 C ATOM 1752 O PRO A 107 -3.015 12.513 -4.188 1.00 1.80 O ATOM 1753 CB PRO A 107 -1.756 10.580 -2.112 1.00 2.23 C ATOM 1754 CG PRO A 107 -1.187 11.174 -0.873 1.00 2.91 C ATOM 1755 CD PRO A 107 -0.957 12.624 -1.186 1.00 2.93 C ATOM 0 HA PRO A 107 -0.316 10.833 -3.761 1.00 1.85 H new ATOM 0 HB2 PRO A 107 -2.843 10.665 -2.127 1.00 2.23 H new ATOM 0 HB3 PRO A 107 -1.518 9.519 -2.185 1.00 2.23 H new ATOM 0 HG2 PRO A 107 -1.872 11.059 -0.033 1.00 2.91 H new ATOM 0 HG3 PRO A 107 -0.256 10.681 -0.594 1.00 2.91 H new ATOM 0 HD2 PRO A 107 -1.838 13.229 -0.971 1.00 2.93 H new ATOM 0 HD3 PRO A 107 -0.135 13.038 -0.602 1.00 2.93 H new ATOM 1763 N GLN A 108 -2.051 10.933 -5.454 1.00 1.09 N ATOM 1764 CA GLN A 108 -2.951 11.144 -6.573 1.00 0.94 C ATOM 1765 C GLN A 108 -3.763 9.885 -6.846 1.00 0.70 C ATOM 1766 O GLN A 108 -3.298 8.771 -6.585 1.00 0.64 O ATOM 1767 CB GLN A 108 -2.164 11.548 -7.823 1.00 1.18 C ATOM 1768 CG GLN A 108 -1.147 10.513 -8.273 1.00 1.72 C ATOM 1769 CD GLN A 108 -0.306 10.993 -9.438 1.00 2.15 C ATOM 1770 OE1 GLN A 108 0.750 11.593 -9.246 1.00 2.57 O ATOM 1771 NE2 GLN A 108 -0.760 10.732 -10.652 1.00 2.71 N ATOM 0 H GLN A 108 -1.358 10.199 -5.599 1.00 1.09 H new ATOM 0 HA GLN A 108 -3.636 11.952 -6.317 1.00 0.94 H new ATOM 0 HB2 GLN A 108 -2.865 11.732 -8.637 1.00 1.18 H new ATOM 0 HB3 GLN A 108 -1.648 12.488 -7.627 1.00 1.18 H new ATOM 0 HG2 GLN A 108 -0.494 10.263 -7.437 1.00 1.72 H new ATOM 0 HG3 GLN A 108 -1.666 9.598 -8.557 1.00 1.72 H new ATOM 0 HE21 GLN A 108 -1.641 10.232 -10.770 1.00 2.71 H new ATOM 0 HE22 GLN A 108 -0.229 11.031 -11.470 1.00 2.71 H new ATOM 1780 N PRO A 109 -4.999 10.055 -7.337 1.00 0.68 N ATOM 1781 CA PRO A 109 -5.861 8.938 -7.733 1.00 0.55 C ATOM 1782 C PRO A 109 -5.221 8.094 -8.832 1.00 0.56 C ATOM 1783 O PRO A 109 -5.147 8.515 -9.986 1.00 0.80 O ATOM 1784 CB PRO A 109 -7.117 9.627 -8.271 1.00 0.65 C ATOM 1785 CG PRO A 109 -7.109 10.980 -7.653 1.00 0.82 C ATOM 1786 CD PRO A 109 -5.664 11.356 -7.533 1.00 0.91 C ATOM 0 HA PRO A 109 -6.054 8.256 -6.905 1.00 0.55 H new ATOM 0 HB2 PRO A 109 -7.097 9.690 -9.359 1.00 0.65 H new ATOM 0 HB3 PRO A 109 -8.017 9.075 -8.000 1.00 0.65 H new ATOM 0 HG2 PRO A 109 -7.651 11.697 -8.270 1.00 0.82 H new ATOM 0 HG3 PRO A 109 -7.594 10.969 -6.677 1.00 0.82 H new ATOM 0 HD2 PRO A 109 -5.303 11.863 -8.428 1.00 0.91 H new ATOM 0 HD3 PRO A 109 -5.490 12.029 -6.693 1.00 0.91 H new ATOM 1794 N LEU A 110 -4.750 6.915 -8.468 1.00 0.49 N ATOM 1795 CA LEU A 110 -4.060 6.050 -9.415 1.00 0.61 C ATOM 1796 C LEU A 110 -4.658 4.664 -9.461 1.00 0.51 C ATOM 1797 O LEU A 110 -4.424 3.895 -10.391 1.00 0.62 O ATOM 1798 CB LEU A 110 -2.595 5.946 -9.046 1.00 0.83 C ATOM 1799 CG LEU A 110 -1.662 6.920 -9.772 1.00 1.22 C ATOM 1800 CD1 LEU A 110 -0.233 6.758 -9.283 1.00 1.89 C ATOM 1801 CD2 LEU A 110 -1.729 6.713 -11.280 1.00 1.61 C ATOM 0 H LEU A 110 -4.831 6.533 -7.526 1.00 0.49 H new ATOM 0 HA LEU A 110 -4.172 6.499 -10.402 1.00 0.61 H new ATOM 0 HB2 LEU A 110 -2.496 6.107 -7.973 1.00 0.83 H new ATOM 0 HB3 LEU A 110 -2.259 4.929 -9.248 1.00 0.83 H new ATOM 0 HG LEU A 110 -1.994 7.934 -9.548 1.00 1.22 H new ATOM 0 HD11 LEU A 110 0.414 7.459 -9.811 1.00 1.89 H new ATOM 0 HD12 LEU A 110 -0.190 6.960 -8.213 1.00 1.89 H new ATOM 0 HD13 LEU A 110 0.104 5.739 -9.474 1.00 1.89 H new ATOM 0 HD21 LEU A 110 -1.058 7.416 -11.774 1.00 1.61 H new ATOM 0 HD22 LEU A 110 -1.428 5.694 -11.521 1.00 1.61 H new ATOM 0 HD23 LEU A 110 -2.749 6.881 -11.625 1.00 1.61 H new ATOM 1813 N ASN A 111 -5.426 4.355 -8.452 1.00 0.42 N ATOM 1814 CA ASN A 111 -6.054 3.057 -8.332 1.00 0.48 C ATOM 1815 C ASN A 111 -7.455 3.307 -7.873 1.00 0.42 C ATOM 1816 O ASN A 111 -7.772 4.432 -7.542 1.00 0.50 O ATOM 1817 CB ASN A 111 -5.310 2.157 -7.333 1.00 0.60 C ATOM 1818 CG ASN A 111 -3.934 1.738 -7.813 1.00 1.17 C ATOM 1819 OD1 ASN A 111 -2.916 2.499 -7.437 1.00 1.86 O flip ATOM 1820 ND2 ASN A 111 -3.783 0.732 -8.506 1.00 1.75 N flip ATOM 0 H ASN A 111 -5.638 4.994 -7.686 1.00 0.42 H new ATOM 0 HA ASN A 111 -6.033 2.534 -9.288 1.00 0.48 H new ATOM 0 HB2 ASN A 111 -5.211 2.684 -6.384 1.00 0.60 H new ATOM 0 HB3 ASN A 111 -5.908 1.266 -7.142 1.00 0.60 H new ATOM 0 HD21 ASN A 111 -4.592 0.172 -8.775 1.00 1.75 H new ATOM 0 HD22 ASN A 111 -2.849 0.458 -8.811 1.00 1.75 H new ATOM 1827 N LYS A 112 -8.311 2.321 -7.880 1.00 0.59 N ATOM 1828 CA LYS A 112 -9.611 2.515 -7.311 1.00 0.60 C ATOM 1829 C LYS A 112 -10.007 1.353 -6.442 1.00 0.72 C ATOM 1830 O LYS A 112 -9.839 0.193 -6.807 1.00 0.84 O ATOM 1831 CB LYS A 112 -10.649 2.750 -8.390 1.00 0.72 C ATOM 1832 CG LYS A 112 -10.706 1.676 -9.462 1.00 1.33 C ATOM 1833 CD LYS A 112 -11.838 1.913 -10.457 1.00 1.68 C ATOM 1834 CE LYS A 112 -11.657 3.202 -11.252 1.00 2.31 C ATOM 1835 NZ LYS A 112 -12.186 4.399 -10.537 1.00 2.93 N ATOM 0 H LYS A 112 -8.135 1.393 -8.266 1.00 0.59 H new ATOM 0 HA LYS A 112 -9.563 3.405 -6.683 1.00 0.60 H new ATOM 0 HB2 LYS A 112 -11.630 2.828 -7.921 1.00 0.72 H new ATOM 0 HB3 LYS A 112 -10.447 3.709 -8.867 1.00 0.72 H new ATOM 0 HG2 LYS A 112 -9.756 1.647 -9.996 1.00 1.33 H new ATOM 0 HG3 LYS A 112 -10.837 0.702 -8.991 1.00 1.33 H new ATOM 0 HD2 LYS A 112 -11.894 1.070 -11.146 1.00 1.68 H new ATOM 0 HD3 LYS A 112 -12.786 1.951 -9.921 1.00 1.68 H new ATOM 0 HE2 LYS A 112 -10.598 3.348 -11.462 1.00 2.31 H new ATOM 0 HE3 LYS A 112 -12.162 3.105 -12.213 1.00 2.31 H new ATOM 0 HZ1 LYS A 112 -12.858 4.902 -11.152 1.00 2.93 H new ATOM 0 HZ2 LYS A 112 -12.671 4.098 -9.668 1.00 2.93 H new ATOM 0 HZ3 LYS A 112 -11.399 5.033 -10.292 1.00 2.93 H new ATOM 1849 N TRP A 113 -10.542 1.698 -5.293 1.00 0.77 N ATOM 1850 CA TRP A 113 -10.960 0.728 -4.297 1.00 0.97 C ATOM 1851 C TRP A 113 -12.085 -0.119 -4.861 1.00 1.02 C ATOM 1852 O TRP A 113 -12.722 0.273 -5.842 1.00 1.12 O ATOM 1853 CB TRP A 113 -11.403 1.465 -3.033 1.00 1.07 C ATOM 1854 CG TRP A 113 -12.393 2.558 -3.324 1.00 0.99 C ATOM 1855 CD1 TRP A 113 -12.127 3.892 -3.350 1.00 0.86 C ATOM 1856 CD2 TRP A 113 -13.783 2.423 -3.670 1.00 1.35 C ATOM 1857 NE1 TRP A 113 -13.254 4.594 -3.684 1.00 1.06 N ATOM 1858 CE2 TRP A 113 -14.284 3.718 -3.886 1.00 1.36 C ATOM 1859 CE3 TRP A 113 -14.652 1.339 -3.820 1.00 1.82 C ATOM 1860 CZ2 TRP A 113 -15.607 3.958 -4.243 1.00 1.79 C ATOM 1861 CZ3 TRP A 113 -15.964 1.579 -4.175 1.00 2.23 C ATOM 1862 CH2 TRP A 113 -16.431 2.879 -4.384 1.00 2.20 C ATOM 0 H TRP A 113 -10.702 2.667 -5.018 1.00 0.77 H new ATOM 0 HA TRP A 113 -10.131 0.068 -4.039 1.00 0.97 H new ATOM 0 HB2 TRP A 113 -11.846 0.753 -2.337 1.00 1.07 H new ATOM 0 HB3 TRP A 113 -10.530 1.891 -2.539 1.00 1.07 H new ATOM 0 HD1 TRP A 113 -11.165 4.334 -3.138 1.00 0.86 H new ATOM 0 HE1 TRP A 113 -13.315 5.609 -3.769 1.00 1.06 H new ATOM 0 HE3 TRP A 113 -14.303 0.330 -3.661 1.00 1.82 H new ATOM 0 HZ2 TRP A 113 -15.969 4.963 -4.403 1.00 1.79 H new ATOM 0 HZ3 TRP A 113 -16.642 0.747 -4.293 1.00 2.23 H new ATOM 0 HH2 TRP A 113 -17.463 3.033 -4.662 1.00 2.20 H new ATOM 1873 N ARG A 114 -12.340 -1.269 -4.271 1.00 1.34 N ATOM 1874 CA ARG A 114 -13.323 -2.163 -4.831 1.00 1.50 C ATOM 1875 C ARG A 114 -14.229 -2.757 -3.768 1.00 1.82 C ATOM 1876 O ARG A 114 -13.996 -2.595 -2.569 1.00 2.41 O ATOM 1877 CB ARG A 114 -12.616 -3.266 -5.602 1.00 1.80 C ATOM 1878 CG ARG A 114 -11.888 -2.767 -6.841 1.00 2.76 C ATOM 1879 CD ARG A 114 -12.843 -2.298 -7.926 1.00 3.56 C ATOM 1880 NE ARG A 114 -12.134 -1.997 -9.169 1.00 4.38 N ATOM 1881 CZ ARG A 114 -12.733 -1.749 -10.332 1.00 5.34 C ATOM 1882 NH1 ARG A 114 -14.057 -1.707 -10.408 1.00 5.63 N ATOM 1883 NH2 ARG A 114 -11.998 -1.530 -11.416 1.00 6.29 N ATOM 0 H ARG A 114 -11.887 -1.599 -3.419 1.00 1.34 H new ATOM 0 HA ARG A 114 -13.959 -1.588 -5.504 1.00 1.50 H new ATOM 0 HB2 ARG A 114 -11.901 -3.758 -4.943 1.00 1.80 H new ATOM 0 HB3 ARG A 114 -13.347 -4.018 -5.898 1.00 1.80 H new ATOM 0 HG2 ARG A 114 -11.226 -1.946 -6.564 1.00 2.76 H new ATOM 0 HG3 ARG A 114 -11.259 -3.565 -7.235 1.00 2.76 H new ATOM 0 HD2 ARG A 114 -13.592 -3.068 -8.110 1.00 3.56 H new ATOM 0 HD3 ARG A 114 -13.375 -1.410 -7.585 1.00 3.56 H new ATOM 0 HE ARG A 114 -11.115 -1.976 -9.143 1.00 4.38 H new ATOM 0 HH11 ARG A 114 -14.621 -1.865 -9.573 1.00 5.63 H new ATOM 0 HH12 ARG A 114 -14.511 -1.517 -11.301 1.00 5.63 H new ATOM 0 HH21 ARG A 114 -10.980 -1.552 -11.355 1.00 6.29 H new ATOM 0 HH22 ARG A 114 -12.451 -1.340 -12.310 1.00 6.29 H new ATOM 1897 N SER A 115 -15.247 -3.459 -4.244 1.00 2.02 N ATOM 1898 CA SER A 115 -16.254 -4.088 -3.407 1.00 2.76 C ATOM 1899 C SER A 115 -16.986 -3.054 -2.552 1.00 3.19 C ATOM 1900 O SER A 115 -16.826 -3.069 -1.314 1.00 3.60 O ATOM 1901 CB SER A 115 -15.619 -5.165 -2.541 1.00 3.33 C ATOM 1902 OG SER A 115 -16.583 -5.810 -1.737 1.00 4.01 O ATOM 1903 OXT SER A 115 -17.720 -2.221 -3.124 1.00 3.62 O ATOM 0 H SER A 115 -15.398 -3.609 -5.242 1.00 2.02 H new ATOM 0 HA SER A 115 -16.994 -4.558 -4.054 1.00 2.76 H new ATOM 0 HB2 SER A 115 -15.122 -5.899 -3.175 1.00 3.33 H new ATOM 0 HB3 SER A 115 -14.852 -4.720 -1.907 1.00 3.33 H new ATOM 0 HG SER A 115 -17.144 -5.138 -1.296 1.00 4.01 H new