USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=26 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 Single : A 5 LYS NZ :NH3+ 172:sc= 1.11 (180deg=0.967) USER MOD Single : A 12 LYS NZ :NH3+ -113:sc= 0.716 (180deg=0.313) USER MOD Single : A 13 ASN : amide:sc= -2.08 K(o=-2.1,f=-5.8!) USER MOD Single : A 14 THR OG1 : rot 59:sc= 1.48 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.39) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.494 USER MOD Single : A 24 HIS : no HE2:sc= -4.1! C(o=-4.1!,f=-6.9!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 71:sc= 0.508 USER MOD Single : A 31 ASN : amide:sc= -0.024 K(o=-0.024,f=-3.2!) USER MOD Single : A 35 GLN : amide:sc= -0.143 K(o=-0.14,f=-1.1) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.0659 X(o=-0.066,f=-0.00063) USER MOD Single : A 40 LYS NZ :NH3+ -163:sc= -0.0765 (180deg=-0.378) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0206 USER MOD Single : A 46 LYS NZ :NH3+ -175:sc= 1.16 (180deg=0.88) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 63 GLN : amide:sc= -2.21 K(o=-2.2,f=-6.2!) USER MOD Single : A 66 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 67 MET CE :methyl 159:sc= -0.26 (180deg=-0.88) USER MOD Single : A 68 LYS NZ :NH3+ 158:sc= 0.673 (180deg=-0.134) USER MOD Single : A 71 THR OG1 : rot 97:sc= 1.37 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 CYS SG : rot 25:sc= 0.00662 USER MOD Single : A 87 LYS NZ :NH3+ -118:sc= 0.955 (180deg=-0.268) USER MOD Single : A 89 TYR OH : rot 73:sc= 1.07 USER MOD Single : A 92 SER OG : rot 56:sc= -1.32! USER MOD Single : A 95 MET CE :methyl 165:sc= -0.101 (180deg=-0.613) USER MOD Single : A 99 TYR OH : rot 30:sc= 0.968 USER MOD Single : A 101 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0915) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc=-0.000774 X(o=-0.00077,f=-0.32) USER MOD Single : A 111 ASN : amide:sc= -0.087 X(o=-0.087,f=0) USER MOD Single : A 112 LYS NZ :NH3+ -166:sc= -0.0138 (180deg=-0.201) USER MOD Single : A 115 SER OG : rot 49:sc= 0.279 USER MOD ----------------------------------------------------------------- ATOM 47 N LYS A 5 17.207 2.604 4.943 1.00 3.56 N ATOM 48 CA LYS A 5 16.206 2.462 5.986 1.00 3.21 C ATOM 49 C LYS A 5 15.221 1.373 5.606 1.00 2.60 C ATOM 50 O LYS A 5 14.948 1.179 4.420 1.00 2.48 O ATOM 51 CB LYS A 5 15.454 3.760 6.147 1.00 3.31 C ATOM 52 CG LYS A 5 14.428 3.756 7.272 1.00 3.91 C ATOM 53 CD LYS A 5 13.527 4.981 7.210 1.00 4.47 C ATOM 54 CE LYS A 5 12.477 4.962 8.310 1.00 5.34 C ATOM 55 NZ LYS A 5 11.553 3.800 8.193 1.00 5.99 N ATOM 0 HA LYS A 5 16.703 2.202 6.920 1.00 3.21 H new ATOM 0 HB2 LYS A 5 16.171 4.561 6.328 1.00 3.31 H new ATOM 0 HB3 LYS A 5 14.947 3.991 5.210 1.00 3.31 H new ATOM 0 HG2 LYS A 5 13.821 2.853 7.209 1.00 3.91 H new ATOM 0 HG3 LYS A 5 14.941 3.729 8.233 1.00 3.91 H new ATOM 0 HD2 LYS A 5 14.132 5.883 7.300 1.00 4.47 H new ATOM 0 HD3 LYS A 5 13.035 5.023 6.238 1.00 4.47 H new ATOM 0 HE2 LYS A 5 12.972 4.933 9.281 1.00 5.34 H new ATOM 0 HE3 LYS A 5 11.900 5.886 8.274 1.00 5.34 H new ATOM 0 HZ1 LYS A 5 10.944 3.754 9.035 1.00 5.99 H new ATOM 0 HZ2 LYS A 5 10.962 3.910 7.344 1.00 5.99 H new ATOM 0 HZ3 LYS A 5 12.106 2.923 8.118 1.00 5.99 H new ATOM 69 N GLU A 6 14.725 0.635 6.593 1.00 2.54 N ATOM 70 CA GLU A 6 13.585 -0.232 6.374 1.00 2.10 C ATOM 71 C GLU A 6 12.407 0.605 5.894 1.00 1.84 C ATOM 72 O GLU A 6 11.960 1.516 6.595 1.00 2.27 O ATOM 73 CB GLU A 6 13.212 -0.973 7.656 1.00 2.49 C ATOM 74 CG GLU A 6 14.351 -1.783 8.240 1.00 2.96 C ATOM 75 CD GLU A 6 13.900 -2.704 9.352 1.00 3.57 C ATOM 76 OE1 GLU A 6 14.186 -3.911 9.279 1.00 4.01 O ATOM 77 OE2 GLU A 6 13.244 -2.230 10.305 1.00 3.94 O ATOM 0 H GLU A 6 15.095 0.623 7.544 1.00 2.54 H new ATOM 0 HA GLU A 6 13.844 -0.974 5.618 1.00 2.10 H new ATOM 0 HB2 GLU A 6 12.873 -0.250 8.398 1.00 2.49 H new ATOM 0 HB3 GLU A 6 12.372 -1.637 7.451 1.00 2.49 H new ATOM 0 HG2 GLU A 6 14.814 -2.374 7.450 1.00 2.96 H new ATOM 0 HG3 GLU A 6 15.115 -1.106 8.622 1.00 2.96 H new ATOM 84 N ILE A 7 11.928 0.305 4.700 1.00 1.34 N ATOM 85 CA ILE A 7 10.868 1.085 4.083 1.00 1.10 C ATOM 86 C ILE A 7 9.515 0.623 4.590 1.00 0.99 C ATOM 87 O ILE A 7 9.171 -0.559 4.491 1.00 1.30 O ATOM 88 CB ILE A 7 10.903 0.974 2.537 1.00 1.29 C ATOM 89 CG1 ILE A 7 12.227 1.442 1.995 1.00 1.73 C ATOM 90 CG2 ILE A 7 9.805 1.777 1.885 1.00 1.29 C ATOM 91 CD1 ILE A 7 12.637 2.757 2.570 1.00 2.00 C ATOM 0 H ILE A 7 12.258 -0.478 4.135 1.00 1.34 H new ATOM 0 HA ILE A 7 11.028 2.128 4.356 1.00 1.10 H new ATOM 0 HB ILE A 7 10.754 -0.080 2.301 1.00 1.29 H new ATOM 0 HG12 ILE A 7 12.992 0.697 2.214 1.00 1.73 H new ATOM 0 HG13 ILE A 7 12.165 1.525 0.910 1.00 1.73 H new ATOM 0 HG21 ILE A 7 9.869 1.669 0.802 1.00 1.29 H new ATOM 0 HG22 ILE A 7 8.836 1.415 2.229 1.00 1.29 H new ATOM 0 HG23 ILE A 7 9.915 2.828 2.152 1.00 1.29 H new ATOM 0 HD11 ILE A 7 13.598 3.054 2.150 1.00 2.00 H new ATOM 0 HD12 ILE A 7 11.887 3.510 2.328 1.00 2.00 H new ATOM 0 HD13 ILE A 7 12.726 2.669 3.653 1.00 2.00 H new ATOM 103 N GLU A 8 8.751 1.543 5.141 1.00 0.87 N ATOM 104 CA GLU A 8 7.421 1.204 5.607 1.00 0.93 C ATOM 105 C GLU A 8 6.372 1.816 4.705 1.00 0.86 C ATOM 106 O GLU A 8 6.395 3.011 4.404 1.00 1.29 O ATOM 107 CB GLU A 8 7.169 1.597 7.071 1.00 1.41 C ATOM 108 CG GLU A 8 8.296 2.355 7.758 1.00 1.71 C ATOM 109 CD GLU A 8 8.486 3.762 7.234 1.00 2.31 C ATOM 110 OE1 GLU A 8 7.686 4.651 7.596 1.00 2.70 O ATOM 111 OE2 GLU A 8 9.461 3.990 6.488 1.00 2.71 O ATOM 0 H GLU A 8 9.021 2.517 5.276 1.00 0.87 H new ATOM 0 HA GLU A 8 7.348 0.117 5.564 1.00 0.93 H new ATOM 0 HB2 GLU A 8 6.267 2.208 7.113 1.00 1.41 H new ATOM 0 HB3 GLU A 8 6.966 0.690 7.641 1.00 1.41 H new ATOM 0 HG2 GLU A 8 8.094 2.399 8.828 1.00 1.71 H new ATOM 0 HG3 GLU A 8 9.226 1.800 7.632 1.00 1.71 H new ATOM 118 N ILE A 9 5.468 0.971 4.264 1.00 0.65 N ATOM 119 CA ILE A 9 4.437 1.360 3.353 1.00 0.68 C ATOM 120 C ILE A 9 3.118 1.599 4.072 1.00 0.53 C ATOM 121 O ILE A 9 2.664 0.776 4.869 1.00 0.68 O ATOM 122 CB ILE A 9 4.268 0.327 2.230 1.00 0.91 C ATOM 123 CG1 ILE A 9 4.341 -1.118 2.736 1.00 0.93 C ATOM 124 CG2 ILE A 9 5.332 0.566 1.184 1.00 1.34 C ATOM 125 CD1 ILE A 9 5.532 -1.846 2.198 1.00 1.21 C ATOM 0 H ILE A 9 5.435 -0.012 4.535 1.00 0.65 H new ATOM 0 HA ILE A 9 4.744 2.303 2.900 1.00 0.68 H new ATOM 0 HB ILE A 9 3.273 0.456 1.804 1.00 0.91 H new ATOM 0 HG12 ILE A 9 4.379 -1.118 3.825 1.00 0.93 H new ATOM 0 HG13 ILE A 9 3.433 -1.648 2.449 1.00 0.93 H new ATOM 0 HG21 ILE A 9 5.222 -0.162 0.380 1.00 1.34 H new ATOM 0 HG22 ILE A 9 5.225 1.572 0.779 1.00 1.34 H new ATOM 0 HG23 ILE A 9 6.318 0.461 1.637 1.00 1.34 H new ATOM 0 HD11 ILE A 9 5.541 -2.865 2.584 1.00 1.21 H new ATOM 0 HD12 ILE A 9 5.482 -1.871 1.109 1.00 1.21 H new ATOM 0 HD13 ILE A 9 6.442 -1.333 2.508 1.00 1.21 H new ATOM 137 N VAL A 10 2.520 2.747 3.805 1.00 0.51 N ATOM 138 CA VAL A 10 1.261 3.110 4.422 1.00 0.46 C ATOM 139 C VAL A 10 0.097 2.728 3.526 1.00 0.41 C ATOM 140 O VAL A 10 0.015 3.138 2.365 1.00 0.44 O ATOM 141 CB VAL A 10 1.188 4.620 4.794 1.00 0.61 C ATOM 142 CG1 VAL A 10 2.249 5.428 4.062 1.00 0.92 C ATOM 143 CG2 VAL A 10 -0.203 5.190 4.519 1.00 0.77 C ATOM 0 H VAL A 10 2.891 3.446 3.161 1.00 0.51 H new ATOM 0 HA VAL A 10 1.194 2.549 5.354 1.00 0.46 H new ATOM 0 HB VAL A 10 1.385 4.698 5.863 1.00 0.61 H new ATOM 0 HG11 VAL A 10 2.168 6.477 4.346 1.00 0.92 H new ATOM 0 HG12 VAL A 10 3.238 5.055 4.328 1.00 0.92 H new ATOM 0 HG13 VAL A 10 2.102 5.331 2.986 1.00 0.92 H new ATOM 0 HG21 VAL A 10 -0.223 6.246 4.789 1.00 0.77 H new ATOM 0 HG22 VAL A 10 -0.438 5.081 3.460 1.00 0.77 H new ATOM 0 HG23 VAL A 10 -0.941 4.650 5.112 1.00 0.77 H new ATOM 153 N ILE A 11 -0.783 1.910 4.070 1.00 0.40 N ATOM 154 CA ILE A 11 -2.024 1.604 3.430 1.00 0.40 C ATOM 155 C ILE A 11 -3.106 2.380 4.144 1.00 0.44 C ATOM 156 O ILE A 11 -3.550 2.015 5.235 1.00 0.50 O ATOM 157 CB ILE A 11 -2.318 0.087 3.451 1.00 0.47 C ATOM 158 CG1 ILE A 11 -1.178 -0.666 2.794 1.00 0.58 C ATOM 159 CG2 ILE A 11 -3.620 -0.222 2.737 1.00 0.53 C ATOM 160 CD1 ILE A 11 -0.930 -0.183 1.401 1.00 0.59 C ATOM 0 H ILE A 11 -0.647 1.445 4.968 1.00 0.40 H new ATOM 0 HA ILE A 11 -1.981 1.890 2.379 1.00 0.40 H new ATOM 0 HB ILE A 11 -2.413 -0.231 4.489 1.00 0.47 H new ATOM 0 HG12 ILE A 11 -0.272 -0.546 3.388 1.00 0.58 H new ATOM 0 HG13 ILE A 11 -1.408 -1.731 2.775 1.00 0.58 H new ATOM 0 HG21 ILE A 11 -3.805 -1.296 2.765 1.00 0.53 H new ATOM 0 HG22 ILE A 11 -4.439 0.300 3.232 1.00 0.53 H new ATOM 0 HG23 ILE A 11 -3.553 0.107 1.700 1.00 0.53 H new ATOM 0 HD11 ILE A 11 -0.106 -0.746 0.962 1.00 0.59 H new ATOM 0 HD12 ILE A 11 -1.828 -0.327 0.801 1.00 0.59 H new ATOM 0 HD13 ILE A 11 -0.675 0.876 1.423 1.00 0.59 H new ATOM 172 N LYS A 12 -3.488 3.481 3.538 1.00 0.46 N ATOM 173 CA LYS A 12 -4.456 4.385 4.135 1.00 0.52 C ATOM 174 C LYS A 12 -5.831 3.963 3.703 1.00 0.50 C ATOM 175 O LYS A 12 -5.995 3.352 2.654 1.00 0.62 O ATOM 176 CB LYS A 12 -4.220 5.834 3.713 1.00 0.55 C ATOM 177 CG LYS A 12 -3.700 6.732 4.813 1.00 0.72 C ATOM 178 CD LYS A 12 -3.746 8.196 4.394 1.00 1.32 C ATOM 179 CE LYS A 12 -3.269 9.133 5.497 1.00 1.65 C ATOM 180 NZ LYS A 12 -1.803 9.044 5.725 1.00 2.08 N ATOM 0 H LYS A 12 -3.143 3.777 2.625 1.00 0.46 H new ATOM 0 HA LYS A 12 -4.351 4.335 5.219 1.00 0.52 H new ATOM 0 HB2 LYS A 12 -3.511 5.847 2.885 1.00 0.55 H new ATOM 0 HB3 LYS A 12 -5.156 6.246 3.337 1.00 0.55 H new ATOM 0 HG2 LYS A 12 -4.296 6.590 5.715 1.00 0.72 H new ATOM 0 HG3 LYS A 12 -2.676 6.453 5.060 1.00 0.72 H new ATOM 0 HD2 LYS A 12 -3.126 8.337 3.509 1.00 1.32 H new ATOM 0 HD3 LYS A 12 -4.766 8.459 4.114 1.00 1.32 H new ATOM 0 HE2 LYS A 12 -3.531 10.158 5.237 1.00 1.65 H new ATOM 0 HE3 LYS A 12 -3.793 8.895 6.423 1.00 1.65 H new ATOM 0 HZ1 LYS A 12 -1.622 8.637 6.665 1.00 2.08 H new ATOM 0 HZ2 LYS A 12 -1.375 8.438 4.997 1.00 2.08 H new ATOM 0 HZ3 LYS A 12 -1.385 9.995 5.673 1.00 2.08 H new ATOM 194 N ASN A 13 -6.811 4.247 4.518 1.00 0.55 N ATOM 195 CA ASN A 13 -8.138 3.786 4.261 1.00 0.59 C ATOM 196 C ASN A 13 -9.162 4.729 4.870 1.00 0.58 C ATOM 197 O ASN A 13 -9.152 4.963 6.076 1.00 0.95 O ATOM 198 CB ASN A 13 -8.252 2.395 4.837 1.00 1.01 C ATOM 199 CG ASN A 13 -7.540 2.242 6.176 1.00 2.06 C ATOM 200 OD1 ASN A 13 -8.109 2.518 7.231 1.00 2.81 O ATOM 201 ND2 ASN A 13 -6.302 1.779 6.143 1.00 2.71 N ATOM 0 H ASN A 13 -6.709 4.799 5.369 1.00 0.55 H new ATOM 0 HA ASN A 13 -8.338 3.761 3.190 1.00 0.59 H new ATOM 0 HB2 ASN A 13 -9.306 2.145 4.962 1.00 1.01 H new ATOM 0 HB3 ASN A 13 -7.837 1.679 4.128 1.00 1.01 H new ATOM 0 HD21 ASN A 13 -5.786 1.640 7.012 1.00 2.71 H new ATOM 0 HD22 ASN A 13 -5.863 1.561 5.249 1.00 2.71 H new ATOM 208 N THR A 14 -10.064 5.262 4.045 1.00 0.47 N ATOM 209 CA THR A 14 -10.931 6.335 4.500 1.00 0.74 C ATOM 210 C THR A 14 -11.898 6.835 3.425 1.00 0.54 C ATOM 211 O THR A 14 -11.604 7.769 2.683 1.00 0.70 O ATOM 212 CB THR A 14 -10.092 7.510 5.029 1.00 1.38 C ATOM 213 OG1 THR A 14 -10.901 8.663 5.275 1.00 1.79 O ATOM 214 CG2 THR A 14 -9.033 7.841 4.032 1.00 1.78 C ATOM 0 H THR A 14 -10.208 4.972 3.078 1.00 0.47 H new ATOM 0 HA THR A 14 -11.540 5.915 5.301 1.00 0.74 H new ATOM 0 HB THR A 14 -9.640 7.213 5.975 1.00 1.38 H new ATOM 0 HG1 THR A 14 -11.598 8.441 5.928 1.00 1.79 H new ATOM 0 HG21 THR A 14 -8.434 8.674 4.400 1.00 1.78 H new ATOM 0 HG22 THR A 14 -8.392 6.972 3.880 1.00 1.78 H new ATOM 0 HG23 THR A 14 -9.498 8.119 3.086 1.00 1.78 H new ATOM 222 N LEU A 15 -13.041 6.179 3.302 1.00 0.49 N ATOM 223 CA LEU A 15 -14.130 6.735 2.553 1.00 0.68 C ATOM 224 C LEU A 15 -15.044 7.510 3.482 1.00 0.84 C ATOM 225 O LEU A 15 -15.761 8.429 3.082 1.00 1.18 O ATOM 226 CB LEU A 15 -14.958 5.653 1.878 1.00 0.88 C ATOM 227 CG LEU A 15 -14.315 5.017 0.672 1.00 0.97 C ATOM 228 CD1 LEU A 15 -12.970 4.547 1.022 1.00 0.90 C ATOM 229 CD2 LEU A 15 -15.173 3.899 0.105 1.00 1.39 C ATOM 0 H LEU A 15 -13.228 5.265 3.714 1.00 0.49 H new ATOM 0 HA LEU A 15 -13.702 7.385 1.790 1.00 0.68 H new ATOM 0 HB2 LEU A 15 -15.175 4.874 2.609 1.00 0.88 H new ATOM 0 HB3 LEU A 15 -15.914 6.083 1.577 1.00 0.88 H new ATOM 0 HG LEU A 15 -14.227 5.767 -0.114 1.00 0.97 H new ATOM 0 HD11 LEU A 15 -12.507 4.087 0.149 1.00 0.90 H new ATOM 0 HD12 LEU A 15 -12.364 5.391 1.352 1.00 0.90 H new ATOM 0 HD13 LEU A 15 -13.039 3.813 1.825 1.00 0.90 H new ATOM 0 HD21 LEU A 15 -14.677 3.464 -0.763 1.00 1.39 H new ATOM 0 HD22 LEU A 15 -15.316 3.130 0.864 1.00 1.39 H new ATOM 0 HD23 LEU A 15 -16.142 4.299 -0.193 1.00 1.39 H new ATOM 241 N GLY A 16 -15.008 7.090 4.731 1.00 0.72 N ATOM 242 CA GLY A 16 -15.953 7.537 5.721 1.00 0.87 C ATOM 243 C GLY A 16 -16.595 6.345 6.388 1.00 0.77 C ATOM 244 O GLY A 16 -16.002 5.265 6.389 1.00 1.27 O ATOM 0 H GLY A 16 -14.318 6.427 5.084 1.00 0.72 H new ATOM 0 HA2 GLY A 16 -15.450 8.155 6.465 1.00 0.87 H new ATOM 0 HA3 GLY A 16 -16.716 8.159 5.254 1.00 0.87 H new ATOM 248 N PRO A 17 -17.797 6.489 6.949 1.00 0.67 N ATOM 249 CA PRO A 17 -18.424 5.422 7.725 1.00 0.76 C ATOM 250 C PRO A 17 -18.530 4.108 6.947 1.00 0.88 C ATOM 251 O PRO A 17 -18.991 4.083 5.800 1.00 1.27 O ATOM 252 CB PRO A 17 -19.820 5.969 8.058 1.00 1.02 C ATOM 253 CG PRO A 17 -20.018 7.140 7.153 1.00 1.42 C ATOM 254 CD PRO A 17 -18.647 7.684 6.871 1.00 1.13 C ATOM 0 HA PRO A 17 -17.834 5.177 8.608 1.00 0.76 H new ATOM 0 HB2 PRO A 17 -20.587 5.212 7.894 1.00 1.02 H new ATOM 0 HB3 PRO A 17 -19.885 6.267 9.105 1.00 1.02 H new ATOM 0 HG2 PRO A 17 -20.516 6.840 6.231 1.00 1.42 H new ATOM 0 HG3 PRO A 17 -20.648 7.895 7.624 1.00 1.42 H new ATOM 0 HD2 PRO A 17 -18.593 8.155 5.889 1.00 1.13 H new ATOM 0 HD3 PRO A 17 -18.353 8.437 7.602 1.00 1.13 H new ATOM 262 N SER A 18 -18.067 3.034 7.585 1.00 1.06 N ATOM 263 CA SER A 18 -18.126 1.680 7.034 1.00 1.31 C ATOM 264 C SER A 18 -17.190 1.481 5.836 1.00 1.10 C ATOM 265 O SER A 18 -17.442 0.625 4.986 1.00 1.50 O ATOM 266 CB SER A 18 -19.563 1.322 6.656 1.00 1.75 C ATOM 267 OG SER A 18 -20.439 1.549 7.749 1.00 2.18 O ATOM 0 H SER A 18 -17.636 3.079 8.508 1.00 1.06 H new ATOM 0 HA SER A 18 -17.779 1.006 7.817 1.00 1.31 H new ATOM 0 HB2 SER A 18 -19.879 1.918 5.800 1.00 1.75 H new ATOM 0 HB3 SER A 18 -19.615 0.276 6.352 1.00 1.75 H new ATOM 0 HG SER A 18 -21.355 1.316 7.488 1.00 2.18 H new ATOM 273 N ARG A 19 -16.109 2.254 5.763 1.00 0.81 N ATOM 274 CA ARG A 19 -15.052 1.937 4.818 1.00 0.66 C ATOM 275 C ARG A 19 -14.238 0.815 5.394 1.00 0.64 C ATOM 276 O ARG A 19 -13.672 0.918 6.484 1.00 1.02 O ATOM 277 CB ARG A 19 -14.198 3.173 4.426 1.00 0.68 C ATOM 278 CG ARG A 19 -12.789 2.941 3.888 1.00 1.15 C ATOM 279 CD ARG A 19 -11.808 2.502 4.954 1.00 1.94 C ATOM 280 NE ARG A 19 -11.184 1.221 4.631 1.00 2.51 N ATOM 281 CZ ARG A 19 -10.478 0.520 5.512 1.00 3.32 C ATOM 282 NH1 ARG A 19 -10.323 0.986 6.732 1.00 3.76 N ATOM 283 NH2 ARG A 19 -9.894 -0.620 5.167 1.00 3.99 N ATOM 0 H ARG A 19 -15.947 3.084 6.334 1.00 0.81 H new ATOM 0 HA ARG A 19 -15.492 1.615 3.874 1.00 0.66 H new ATOM 0 HB2 ARG A 19 -14.752 3.734 3.674 1.00 0.68 H new ATOM 0 HB3 ARG A 19 -14.117 3.812 5.305 1.00 0.68 H new ATOM 0 HG2 ARG A 19 -12.826 2.184 3.104 1.00 1.15 H new ATOM 0 HG3 ARG A 19 -12.427 3.860 3.427 1.00 1.15 H new ATOM 0 HD2 ARG A 19 -11.036 3.262 5.071 1.00 1.94 H new ATOM 0 HD3 ARG A 19 -12.324 2.423 5.911 1.00 1.94 H new ATOM 0 HE ARG A 19 -11.295 0.848 3.688 1.00 2.51 H new ATOM 0 HH11 ARG A 19 -10.743 1.878 6.994 1.00 3.76 H new ATOM 0 HH12 ARG A 19 -9.783 0.456 7.416 1.00 3.76 H new ATOM 0 HH21 ARG A 19 -9.983 -0.971 4.213 1.00 3.99 H new ATOM 0 HH22 ARG A 19 -9.356 -1.146 5.855 1.00 3.99 H new ATOM 297 N ILE A 20 -14.241 -0.269 4.668 1.00 0.52 N ATOM 298 CA ILE A 20 -13.525 -1.471 5.064 1.00 0.51 C ATOM 299 C ILE A 20 -12.953 -2.123 3.834 1.00 0.54 C ATOM 300 O ILE A 20 -13.656 -2.345 2.855 1.00 0.76 O ATOM 301 CB ILE A 20 -14.401 -2.530 5.776 1.00 0.65 C ATOM 302 CG1 ILE A 20 -15.488 -1.871 6.613 1.00 0.78 C ATOM 303 CG2 ILE A 20 -13.522 -3.416 6.648 1.00 0.72 C ATOM 304 CD1 ILE A 20 -15.083 -1.553 8.017 1.00 0.83 C ATOM 0 H ILE A 20 -14.738 -0.353 3.781 1.00 0.52 H new ATOM 0 HA ILE A 20 -12.763 -1.144 5.771 1.00 0.51 H new ATOM 0 HB ILE A 20 -14.891 -3.142 5.019 1.00 0.65 H new ATOM 0 HG12 ILE A 20 -15.799 -0.950 6.121 1.00 0.78 H new ATOM 0 HG13 ILE A 20 -16.357 -2.528 6.639 1.00 0.78 H new ATOM 0 HG21 ILE A 20 -14.140 -4.161 7.149 1.00 0.72 H new ATOM 0 HG22 ILE A 20 -12.781 -3.918 6.026 1.00 0.72 H new ATOM 0 HG23 ILE A 20 -13.015 -2.804 7.394 1.00 0.72 H new ATOM 0 HD11 ILE A 20 -15.918 -1.086 8.540 1.00 0.83 H new ATOM 0 HD12 ILE A 20 -14.801 -2.472 8.531 1.00 0.83 H new ATOM 0 HD13 ILE A 20 -14.235 -0.869 8.005 1.00 0.83 H new ATOM 316 N LEU A 21 -11.678 -2.400 3.882 1.00 0.50 N ATOM 317 CA LEU A 21 -11.023 -3.127 2.812 1.00 0.55 C ATOM 318 C LEU A 21 -9.855 -3.894 3.378 1.00 0.52 C ATOM 319 O LEU A 21 -9.134 -3.401 4.252 1.00 0.75 O ATOM 320 CB LEU A 21 -10.625 -2.206 1.637 1.00 0.72 C ATOM 321 CG LEU A 21 -10.381 -0.748 1.995 1.00 1.39 C ATOM 322 CD1 LEU A 21 -8.900 -0.493 2.230 1.00 2.23 C ATOM 323 CD2 LEU A 21 -10.931 0.155 0.903 1.00 2.20 C ATOM 0 H LEU A 21 -11.064 -2.135 4.652 1.00 0.50 H new ATOM 0 HA LEU A 21 -11.727 -3.841 2.384 1.00 0.55 H new ATOM 0 HB2 LEU A 21 -9.720 -2.604 1.177 1.00 0.72 H new ATOM 0 HB3 LEU A 21 -11.411 -2.249 0.883 1.00 0.72 H new ATOM 0 HG LEU A 21 -10.905 -0.519 2.923 1.00 1.39 H new ATOM 0 HD11 LEU A 21 -8.747 0.556 2.485 1.00 2.23 H new ATOM 0 HD12 LEU A 21 -8.548 -1.120 3.049 1.00 2.23 H new ATOM 0 HD13 LEU A 21 -8.342 -0.731 1.325 1.00 2.23 H new ATOM 0 HD21 LEU A 21 -10.752 1.197 1.168 1.00 2.20 H new ATOM 0 HD22 LEU A 21 -10.434 -0.070 -0.040 1.00 2.20 H new ATOM 0 HD23 LEU A 21 -12.003 -0.013 0.797 1.00 2.20 H new ATOM 335 N GLN A 22 -9.733 -5.117 2.924 1.00 0.47 N ATOM 336 CA GLN A 22 -8.766 -6.046 3.419 1.00 0.47 C ATOM 337 C GLN A 22 -7.612 -6.142 2.440 1.00 0.42 C ATOM 338 O GLN A 22 -7.754 -6.691 1.350 1.00 0.51 O ATOM 339 CB GLN A 22 -9.465 -7.389 3.592 1.00 0.60 C ATOM 340 CG GLN A 22 -8.587 -8.476 4.137 1.00 0.71 C ATOM 341 CD GLN A 22 -9.368 -9.742 4.427 1.00 0.97 C ATOM 342 OE1 GLN A 22 -9.885 -9.927 5.529 1.00 1.69 O ATOM 343 NE2 GLN A 22 -9.474 -10.612 3.437 1.00 1.34 N ATOM 0 H GLN A 22 -10.321 -5.496 2.182 1.00 0.47 H new ATOM 0 HA GLN A 22 -8.358 -5.725 4.377 1.00 0.47 H new ATOM 0 HB2 GLN A 22 -10.318 -7.258 4.258 1.00 0.60 H new ATOM 0 HB3 GLN A 22 -9.860 -7.707 2.627 1.00 0.60 H new ATOM 0 HG2 GLN A 22 -7.794 -8.695 3.422 1.00 0.71 H new ATOM 0 HG3 GLN A 22 -8.105 -8.129 5.051 1.00 0.71 H new ATOM 0 HE21 GLN A 22 -9.030 -10.420 2.539 1.00 1.34 H new ATOM 0 HE22 GLN A 22 -10.000 -11.476 3.571 1.00 1.34 H new ATOM 352 N TYR A 23 -6.468 -5.612 2.828 1.00 0.42 N ATOM 353 CA TYR A 23 -5.343 -5.543 1.924 1.00 0.42 C ATOM 354 C TYR A 23 -4.394 -6.701 2.170 1.00 0.41 C ATOM 355 O TYR A 23 -3.908 -6.921 3.281 1.00 0.49 O ATOM 356 CB TYR A 23 -4.598 -4.209 2.046 1.00 0.52 C ATOM 357 CG TYR A 23 -3.900 -4.020 3.367 1.00 0.50 C ATOM 358 CD1 TYR A 23 -4.621 -3.840 4.535 1.00 0.54 C ATOM 359 CD2 TYR A 23 -2.518 -4.040 3.441 1.00 0.58 C ATOM 360 CE1 TYR A 23 -3.981 -3.685 5.747 1.00 0.61 C ATOM 361 CE2 TYR A 23 -1.865 -3.884 4.645 1.00 0.63 C ATOM 362 CZ TYR A 23 -2.600 -3.707 5.798 1.00 0.63 C ATOM 363 OH TYR A 23 -1.954 -3.558 7.004 1.00 0.74 O ATOM 0 H TYR A 23 -6.296 -5.226 3.757 1.00 0.42 H new ATOM 0 HA TYR A 23 -5.733 -5.612 0.908 1.00 0.42 H new ATOM 0 HB2 TYR A 23 -3.863 -4.140 1.244 1.00 0.52 H new ATOM 0 HB3 TYR A 23 -5.306 -3.393 1.900 1.00 0.52 H new ATOM 0 HD1 TYR A 23 -5.700 -3.821 4.497 1.00 0.54 H new ATOM 0 HD2 TYR A 23 -1.941 -4.180 2.539 1.00 0.58 H new ATOM 0 HE1 TYR A 23 -4.556 -3.547 6.651 1.00 0.61 H new ATOM 0 HE2 TYR A 23 -0.786 -3.900 4.685 1.00 0.63 H new ATOM 0 HH TYR A 23 -0.985 -3.598 6.863 1.00 0.74 H new ATOM 373 N HIS A 24 -4.177 -7.466 1.129 1.00 0.50 N ATOM 374 CA HIS A 24 -3.184 -8.509 1.160 1.00 0.57 C ATOM 375 C HIS A 24 -1.888 -7.961 0.623 1.00 0.60 C ATOM 376 O HIS A 24 -1.753 -7.763 -0.579 1.00 0.58 O ATOM 377 CB HIS A 24 -3.613 -9.706 0.317 1.00 0.61 C ATOM 378 CG HIS A 24 -2.605 -10.814 0.328 1.00 0.71 C ATOM 379 ND1 HIS A 24 -1.659 -10.943 1.322 1.00 0.75 N ATOM 380 CD2 HIS A 24 -2.392 -11.840 -0.530 1.00 0.85 C ATOM 381 CE1 HIS A 24 -0.909 -12.003 1.074 1.00 0.88 C ATOM 382 NE2 HIS A 24 -1.333 -12.563 -0.042 1.00 0.94 N ATOM 0 H HIS A 24 -4.679 -7.384 0.245 1.00 0.50 H new ATOM 0 HA HIS A 24 -3.062 -8.845 2.190 1.00 0.57 H new ATOM 0 HB2 HIS A 24 -4.566 -10.084 0.689 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -3.778 -9.381 -0.710 1.00 0.61 H new ATOM 0 HD1 HIS A 24 -1.554 -10.319 2.122 1.00 0.75 H new ATOM 0 HD2 HIS A 24 -2.951 -12.050 -1.430 1.00 0.85 H new ATOM 0 HE1 HIS A 24 -0.088 -12.351 1.683 1.00 0.88 H new ATOM 391 N CYS A 25 -0.941 -7.695 1.495 1.00 0.71 N ATOM 392 CA CYS A 25 0.314 -7.167 1.031 1.00 0.74 C ATOM 393 C CYS A 25 1.465 -8.086 1.397 1.00 0.91 C ATOM 394 O CYS A 25 1.900 -8.152 2.546 1.00 1.01 O ATOM 395 CB CYS A 25 0.537 -5.752 1.552 1.00 0.79 C ATOM 396 SG CYS A 25 1.596 -4.742 0.470 1.00 1.12 S ATOM 0 H CYS A 25 -1.015 -7.832 2.503 1.00 0.71 H new ATOM 0 HA CYS A 25 0.275 -7.114 -0.057 1.00 0.74 H new ATOM 0 HB2 CYS A 25 -0.428 -5.259 1.667 1.00 0.79 H new ATOM 0 HB3 CYS A 25 0.988 -5.804 2.543 1.00 0.79 H new ATOM 401 N ARG A 26 1.908 -8.826 0.397 1.00 1.14 N ATOM 402 CA ARG A 26 2.982 -9.784 0.534 1.00 1.38 C ATOM 403 C ARG A 26 3.653 -9.979 -0.807 1.00 1.87 C ATOM 404 O ARG A 26 2.980 -9.999 -1.840 1.00 2.24 O ATOM 405 CB ARG A 26 2.454 -11.111 1.075 1.00 1.45 C ATOM 406 CG ARG A 26 3.360 -12.309 0.824 1.00 2.13 C ATOM 407 CD ARG A 26 2.748 -13.299 -0.157 1.00 2.66 C ATOM 408 NE ARG A 26 2.584 -12.737 -1.497 1.00 3.26 N ATOM 409 CZ ARG A 26 2.781 -13.424 -2.620 1.00 4.00 C ATOM 410 NH1 ARG A 26 3.137 -14.703 -2.567 1.00 4.21 N ATOM 411 NH2 ARG A 26 2.613 -12.832 -3.796 1.00 4.86 N ATOM 0 H ARG A 26 1.524 -8.775 -0.546 1.00 1.14 H new ATOM 0 HA ARG A 26 3.714 -9.403 1.246 1.00 1.38 H new ATOM 0 HB2 ARG A 26 2.295 -11.012 2.149 1.00 1.45 H new ATOM 0 HB3 ARG A 26 1.481 -11.309 0.626 1.00 1.45 H new ATOM 0 HG2 ARG A 26 4.318 -11.963 0.437 1.00 2.13 H new ATOM 0 HG3 ARG A 26 3.561 -12.814 1.769 1.00 2.13 H new ATOM 0 HD2 ARG A 26 3.380 -14.185 -0.214 1.00 2.66 H new ATOM 0 HD3 ARG A 26 1.777 -13.623 0.218 1.00 2.66 H new ATOM 0 HE ARG A 26 2.302 -11.760 -1.576 1.00 3.26 H new ATOM 0 HH11 ARG A 26 3.260 -15.161 -1.664 1.00 4.21 H new ATOM 0 HH12 ARG A 26 3.287 -15.227 -3.429 1.00 4.21 H new ATOM 0 HH21 ARG A 26 2.333 -11.852 -3.838 1.00 4.86 H new ATOM 0 HH22 ARG A 26 2.764 -13.357 -4.657 1.00 4.86 H new ATOM 425 N SER A 27 4.965 -10.005 -0.789 1.00 2.10 N ATOM 426 CA SER A 27 5.758 -10.436 -1.930 1.00 2.66 C ATOM 427 C SER A 27 7.235 -10.350 -1.555 1.00 2.39 C ATOM 428 O SER A 27 7.566 -9.863 -0.473 1.00 2.70 O ATOM 429 CB SER A 27 5.437 -9.626 -3.193 1.00 3.73 C ATOM 430 OG SER A 27 5.894 -10.280 -4.364 1.00 4.43 O ATOM 0 H SER A 27 5.521 -9.727 0.020 1.00 2.10 H new ATOM 0 HA SER A 27 5.508 -11.469 -2.173 1.00 2.66 H new ATOM 0 HB2 SER A 27 4.361 -9.468 -3.261 1.00 3.73 H new ATOM 0 HB3 SER A 27 5.900 -8.642 -3.122 1.00 3.73 H new ATOM 0 HG SER A 27 5.672 -9.738 -5.149 1.00 4.43 H new ATOM 436 N GLY A 28 8.111 -10.865 -2.404 1.00 2.45 N ATOM 437 CA GLY A 28 9.533 -10.629 -2.225 1.00 2.54 C ATOM 438 C GLY A 28 10.109 -11.448 -1.089 1.00 2.68 C ATOM 439 O GLY A 28 10.840 -10.931 -0.242 1.00 3.22 O ATOM 0 H GLY A 28 7.867 -11.440 -3.211 1.00 2.45 H new ATOM 0 HA2 GLY A 28 10.059 -10.871 -3.148 1.00 2.54 H new ATOM 0 HA3 GLY A 28 9.702 -9.570 -2.030 1.00 2.54 H new ATOM 443 N ASN A 29 9.757 -12.735 -1.079 1.00 2.60 N ATOM 444 CA ASN A 29 10.260 -13.698 -0.097 1.00 2.96 C ATOM 445 C ASN A 29 9.950 -13.257 1.329 1.00 2.76 C ATOM 446 O ASN A 29 10.733 -13.505 2.250 1.00 3.04 O ATOM 447 CB ASN A 29 11.773 -13.920 -0.258 1.00 3.49 C ATOM 448 CG ASN A 29 12.150 -14.459 -1.624 1.00 4.17 C ATOM 449 OD1 ASN A 29 12.081 -15.664 -1.870 1.00 4.66 O ATOM 450 ND2 ASN A 29 12.582 -13.578 -2.515 1.00 4.63 N ATOM 0 H ASN A 29 9.111 -13.141 -1.756 1.00 2.60 H new ATOM 0 HA ASN A 29 9.746 -14.641 -0.285 1.00 2.96 H new ATOM 0 HB2 ASN A 29 12.293 -12.977 -0.089 1.00 3.49 H new ATOM 0 HB3 ASN A 29 12.116 -14.615 0.508 1.00 3.49 H new ATOM 0 HD21 ASN A 29 12.872 -13.890 -3.442 1.00 4.63 H new ATOM 0 HD22 ASN A 29 12.625 -12.588 -2.274 1.00 4.63 H new ATOM 457 N THR A 30 8.816 -12.596 1.508 1.00 2.45 N ATOM 458 CA THR A 30 8.408 -12.123 2.821 1.00 2.33 C ATOM 459 C THR A 30 6.886 -12.164 2.947 1.00 2.07 C ATOM 460 O THR A 30 6.174 -11.799 2.011 1.00 2.10 O ATOM 461 CB THR A 30 8.909 -10.690 3.071 1.00 2.45 C ATOM 462 OG1 THR A 30 10.245 -10.541 2.569 1.00 2.93 O ATOM 463 CG2 THR A 30 8.890 -10.366 4.559 1.00 2.70 C ATOM 0 H THR A 30 8.161 -12.375 0.758 1.00 2.45 H new ATOM 0 HA THR A 30 8.851 -12.781 3.569 1.00 2.33 H new ATOM 0 HB THR A 30 8.244 -10.001 2.550 1.00 2.45 H new ATOM 0 HG1 THR A 30 10.230 -10.553 1.589 1.00 2.93 H new ATOM 0 HG21 THR A 30 9.248 -9.348 4.714 1.00 2.70 H new ATOM 0 HG22 THR A 30 7.872 -10.454 4.938 1.00 2.70 H new ATOM 0 HG23 THR A 30 9.537 -11.063 5.091 1.00 2.70 H new ATOM 471 N ASN A 31 6.391 -12.612 4.098 1.00 1.97 N ATOM 472 CA ASN A 31 4.953 -12.786 4.301 1.00 1.75 C ATOM 473 C ASN A 31 4.439 -11.882 5.416 1.00 1.78 C ATOM 474 O ASN A 31 5.140 -11.634 6.401 1.00 2.34 O ATOM 475 CB ASN A 31 4.632 -14.248 4.636 1.00 2.09 C ATOM 476 CG ASN A 31 4.986 -15.203 3.512 1.00 2.43 C ATOM 477 OD1 ASN A 31 4.930 -14.851 2.335 1.00 2.89 O ATOM 478 ND2 ASN A 31 5.356 -16.423 3.870 1.00 2.98 N ATOM 0 H ASN A 31 6.963 -12.861 4.905 1.00 1.97 H new ATOM 0 HA ASN A 31 4.453 -12.510 3.373 1.00 1.75 H new ATOM 0 HB2 ASN A 31 5.175 -14.537 5.536 1.00 2.09 H new ATOM 0 HB3 ASN A 31 3.570 -14.339 4.862 1.00 2.09 H new ATOM 0 HD21 ASN A 31 5.607 -17.109 3.158 1.00 2.98 H new ATOM 0 HD22 ASN A 31 5.390 -16.677 4.857 1.00 2.98 H new ATOM 485 N VAL A 32 3.212 -11.392 5.261 1.00 1.39 N ATOM 486 CA VAL A 32 2.605 -10.513 6.259 1.00 1.52 C ATOM 487 C VAL A 32 1.223 -11.008 6.674 1.00 1.38 C ATOM 488 O VAL A 32 0.986 -11.291 7.849 1.00 2.10 O ATOM 489 CB VAL A 32 2.487 -9.058 5.756 1.00 2.13 C ATOM 490 CG1 VAL A 32 1.723 -8.195 6.751 1.00 2.68 C ATOM 491 CG2 VAL A 32 3.863 -8.473 5.508 1.00 2.64 C ATOM 0 H VAL A 32 2.618 -11.588 4.455 1.00 1.39 H new ATOM 0 HA VAL A 32 3.270 -10.532 7.122 1.00 1.52 H new ATOM 0 HB VAL A 32 1.932 -9.070 4.818 1.00 2.13 H new ATOM 0 HG11 VAL A 32 1.655 -7.176 6.371 1.00 2.68 H new ATOM 0 HG12 VAL A 32 0.720 -8.599 6.888 1.00 2.68 H new ATOM 0 HG13 VAL A 32 2.246 -8.192 7.707 1.00 2.68 H new ATOM 0 HG21 VAL A 32 3.764 -7.447 5.154 1.00 2.64 H new ATOM 0 HG22 VAL A 32 4.435 -8.483 6.436 1.00 2.64 H new ATOM 0 HG23 VAL A 32 4.381 -9.068 4.756 1.00 2.64 H new ATOM 501 N GLY A 33 0.310 -11.115 5.716 1.00 1.00 N ATOM 502 CA GLY A 33 -1.036 -11.488 6.031 1.00 1.43 C ATOM 503 C GLY A 33 -2.020 -10.758 5.158 1.00 0.99 C ATOM 504 O GLY A 33 -1.642 -10.160 4.141 1.00 1.13 O ATOM 0 H GLY A 33 0.489 -10.947 4.726 1.00 1.00 H new ATOM 0 HA2 GLY A 33 -1.158 -12.563 5.901 1.00 1.43 H new ATOM 0 HA3 GLY A 33 -1.242 -11.268 7.079 1.00 1.43 H new ATOM 508 N VAL A 34 -3.277 -10.806 5.548 1.00 0.80 N ATOM 509 CA VAL A 34 -4.354 -10.218 4.767 1.00 0.56 C ATOM 510 C VAL A 34 -5.397 -9.586 5.703 1.00 0.63 C ATOM 511 O VAL A 34 -6.330 -10.258 6.141 1.00 1.03 O ATOM 512 CB VAL A 34 -5.044 -11.288 3.905 1.00 0.89 C ATOM 513 CG1 VAL A 34 -6.045 -10.635 2.972 1.00 1.17 C ATOM 514 CG2 VAL A 34 -4.011 -12.088 3.130 1.00 1.06 C ATOM 0 H VAL A 34 -3.584 -11.252 6.413 1.00 0.80 H new ATOM 0 HA VAL A 34 -3.925 -9.454 4.118 1.00 0.56 H new ATOM 0 HB VAL A 34 -5.583 -11.978 4.555 1.00 0.89 H new ATOM 0 HG11 VAL A 34 -6.529 -11.400 2.365 1.00 1.17 H new ATOM 0 HG12 VAL A 34 -6.797 -10.106 3.558 1.00 1.17 H new ATOM 0 HG13 VAL A 34 -5.529 -9.929 2.322 1.00 1.17 H new ATOM 0 HG21 VAL A 34 -4.514 -12.842 2.524 1.00 1.06 H new ATOM 0 HG22 VAL A 34 -3.445 -11.420 2.481 1.00 1.06 H new ATOM 0 HG23 VAL A 34 -3.332 -12.578 3.828 1.00 1.06 H new ATOM 524 N GLN A 35 -5.225 -8.309 6.026 1.00 0.63 N ATOM 525 CA GLN A 35 -6.039 -7.657 7.051 1.00 0.85 C ATOM 526 C GLN A 35 -7.021 -6.625 6.507 1.00 0.70 C ATOM 527 O GLN A 35 -6.742 -5.940 5.527 1.00 0.82 O ATOM 528 CB GLN A 35 -5.135 -6.963 8.043 1.00 1.45 C ATOM 529 CG GLN A 35 -4.679 -7.861 9.162 1.00 2.06 C ATOM 530 CD GLN A 35 -3.714 -8.948 8.732 1.00 2.71 C ATOM 531 OE1 GLN A 35 -4.115 -10.064 8.404 1.00 3.16 O ATOM 532 NE2 GLN A 35 -2.432 -8.626 8.731 1.00 3.28 N ATOM 0 H GLN A 35 -4.529 -7.702 5.593 1.00 0.63 H new ATOM 0 HA GLN A 35 -6.627 -8.451 7.512 1.00 0.85 H new ATOM 0 HB2 GLN A 35 -4.262 -6.575 7.519 1.00 1.45 H new ATOM 0 HB3 GLN A 35 -5.660 -6.106 8.465 1.00 1.45 H new ATOM 0 HG2 GLN A 35 -4.204 -7.252 9.931 1.00 2.06 H new ATOM 0 HG3 GLN A 35 -5.553 -8.326 9.619 1.00 2.06 H new ATOM 0 HE21 GLN A 35 -2.141 -7.689 9.010 1.00 3.28 H new ATOM 0 HE22 GLN A 35 -1.733 -9.315 8.451 1.00 3.28 H new ATOM 541 N TYR A 36 -8.159 -6.501 7.190 1.00 0.78 N ATOM 542 CA TYR A 36 -9.120 -5.424 6.925 1.00 0.73 C ATOM 543 C TYR A 36 -9.067 -4.419 8.053 1.00 0.78 C ATOM 544 O TYR A 36 -8.582 -4.720 9.145 1.00 1.06 O ATOM 545 CB TYR A 36 -10.555 -5.911 6.757 1.00 0.94 C ATOM 546 CG TYR A 36 -11.099 -6.603 7.956 1.00 1.62 C ATOM 547 CD1 TYR A 36 -10.586 -7.812 8.341 1.00 2.09 C ATOM 548 CD2 TYR A 36 -12.125 -6.046 8.684 1.00 2.13 C ATOM 549 CE1 TYR A 36 -11.084 -8.476 9.442 1.00 3.04 C ATOM 550 CE2 TYR A 36 -12.637 -6.685 9.786 1.00 3.13 C ATOM 551 CZ TYR A 36 -12.114 -7.906 10.166 1.00 3.57 C ATOM 552 OH TYR A 36 -12.622 -8.556 11.266 1.00 4.60 O ATOM 0 H TYR A 36 -8.441 -7.136 7.936 1.00 0.78 H new ATOM 0 HA TYR A 36 -8.828 -4.973 5.977 1.00 0.73 H new ATOM 0 HB2 TYR A 36 -11.192 -5.059 6.520 1.00 0.94 H new ATOM 0 HB3 TYR A 36 -10.601 -6.590 5.905 1.00 0.94 H new ATOM 0 HD1 TYR A 36 -9.779 -8.252 7.774 1.00 2.09 H new ATOM 0 HD2 TYR A 36 -12.534 -5.092 8.384 1.00 2.13 H new ATOM 0 HE1 TYR A 36 -10.674 -9.431 9.735 1.00 3.04 H new ATOM 0 HE2 TYR A 36 -13.441 -6.237 10.351 1.00 3.13 H new ATOM 0 HH TYR A 36 -13.340 -8.019 11.661 1.00 4.60 H new ATOM 562 N LEU A 37 -9.566 -3.235 7.792 1.00 0.72 N ATOM 563 CA LEU A 37 -9.603 -2.197 8.800 1.00 0.89 C ATOM 564 C LEU A 37 -10.836 -1.342 8.590 1.00 0.70 C ATOM 565 O LEU A 37 -11.438 -1.383 7.512 1.00 0.61 O ATOM 566 CB LEU A 37 -8.337 -1.334 8.718 1.00 1.23 C ATOM 567 CG LEU A 37 -8.166 -0.313 9.847 1.00 1.93 C ATOM 568 CD1 LEU A 37 -7.986 -1.013 11.185 1.00 2.72 C ATOM 569 CD2 LEU A 37 -6.992 0.606 9.562 1.00 2.57 C ATOM 0 H LEU A 37 -9.954 -2.963 6.888 1.00 0.72 H new ATOM 0 HA LEU A 37 -9.644 -2.653 9.789 1.00 0.89 H new ATOM 0 HB2 LEU A 37 -7.468 -1.992 8.711 1.00 1.23 H new ATOM 0 HB3 LEU A 37 -8.341 -0.802 7.767 1.00 1.23 H new ATOM 0 HG LEU A 37 -9.071 0.292 9.899 1.00 1.93 H new ATOM 0 HD11 LEU A 37 -7.866 -0.268 11.972 1.00 2.72 H new ATOM 0 HD12 LEU A 37 -8.862 -1.626 11.396 1.00 2.72 H new ATOM 0 HD13 LEU A 37 -7.100 -1.647 11.148 1.00 2.72 H new ATOM 0 HD21 LEU A 37 -6.886 1.324 10.375 1.00 2.57 H new ATOM 0 HD22 LEU A 37 -6.080 0.016 9.479 1.00 2.57 H new ATOM 0 HD23 LEU A 37 -7.166 1.139 8.627 1.00 2.57 H new ATOM 581 N ASN A 38 -11.204 -0.589 9.618 1.00 0.78 N ATOM 582 CA ASN A 38 -12.293 0.372 9.536 1.00 0.73 C ATOM 583 C ASN A 38 -11.727 1.737 9.192 1.00 0.68 C ATOM 584 O ASN A 38 -10.530 1.964 9.350 1.00 0.75 O ATOM 585 CB ASN A 38 -13.035 0.468 10.874 1.00 0.94 C ATOM 586 CG ASN A 38 -13.239 -0.877 11.541 1.00 1.62 C ATOM 587 OD1 ASN A 38 -12.399 -1.324 12.323 1.00 2.32 O ATOM 588 ND2 ASN A 38 -14.352 -1.525 11.247 1.00 2.29 N ATOM 0 H ASN A 38 -10.755 -0.628 10.533 1.00 0.78 H new ATOM 0 HA ASN A 38 -12.991 0.042 8.767 1.00 0.73 H new ATOM 0 HB2 ASN A 38 -12.476 1.119 11.546 1.00 0.94 H new ATOM 0 HB3 ASN A 38 -14.006 0.937 10.711 1.00 0.94 H new ATOM 0 HD21 ASN A 38 -14.542 -2.432 11.673 1.00 2.29 H new ATOM 0 HD22 ASN A 38 -15.021 -1.118 10.594 1.00 2.29 H new ATOM 595 N PHE A 39 -12.574 2.626 8.684 1.00 0.68 N ATOM 596 CA PHE A 39 -12.170 4.004 8.402 1.00 0.72 C ATOM 597 C PHE A 39 -11.644 4.674 9.670 1.00 0.83 C ATOM 598 O PHE A 39 -12.408 5.119 10.525 1.00 1.66 O ATOM 599 CB PHE A 39 -13.341 4.781 7.779 1.00 0.85 C ATOM 600 CG PHE A 39 -13.334 6.277 7.999 1.00 1.07 C ATOM 601 CD1 PHE A 39 -12.278 7.070 7.573 1.00 1.35 C ATOM 602 CD2 PHE A 39 -14.398 6.888 8.649 1.00 1.43 C ATOM 603 CE1 PHE A 39 -12.285 8.433 7.802 1.00 1.80 C ATOM 604 CE2 PHE A 39 -14.408 8.249 8.871 1.00 1.87 C ATOM 605 CZ PHE A 39 -13.349 9.023 8.451 1.00 2.03 C ATOM 0 H PHE A 39 -13.547 2.419 8.458 1.00 0.68 H new ATOM 0 HA PHE A 39 -11.356 4.001 7.677 1.00 0.72 H new ATOM 0 HB2 PHE A 39 -13.347 4.591 6.706 1.00 0.85 H new ATOM 0 HB3 PHE A 39 -14.272 4.379 8.179 1.00 0.85 H new ATOM 0 HD1 PHE A 39 -11.443 6.618 7.058 1.00 1.35 H new ATOM 0 HD2 PHE A 39 -15.231 6.288 8.986 1.00 1.43 H new ATOM 0 HE1 PHE A 39 -11.454 9.038 7.471 1.00 1.80 H new ATOM 0 HE2 PHE A 39 -15.246 8.708 9.374 1.00 1.87 H new ATOM 0 HZ PHE A 39 -13.352 10.088 8.629 1.00 2.03 H new ATOM 615 N LYS A 40 -10.325 4.699 9.791 1.00 0.86 N ATOM 616 CA LYS A 40 -9.661 5.268 10.953 1.00 0.97 C ATOM 617 C LYS A 40 -8.570 6.220 10.503 1.00 0.72 C ATOM 618 O LYS A 40 -8.632 7.424 10.753 1.00 1.17 O ATOM 619 CB LYS A 40 -9.039 4.167 11.810 1.00 1.52 C ATOM 620 CG LYS A 40 -10.020 3.098 12.274 1.00 2.18 C ATOM 621 CD LYS A 40 -11.013 3.636 13.296 1.00 2.89 C ATOM 622 CE LYS A 40 -10.344 3.937 14.630 1.00 3.36 C ATOM 623 NZ LYS A 40 -9.768 2.715 15.253 1.00 3.76 N ATOM 0 H LYS A 40 -9.687 4.326 9.088 1.00 0.86 H new ATOM 0 HA LYS A 40 -10.403 5.804 11.545 1.00 0.97 H new ATOM 0 HB2 LYS A 40 -8.242 3.688 11.242 1.00 1.52 H new ATOM 0 HB3 LYS A 40 -8.577 4.623 12.686 1.00 1.52 H new ATOM 0 HG2 LYS A 40 -10.562 2.706 11.413 1.00 2.18 H new ATOM 0 HG3 LYS A 40 -9.468 2.265 12.709 1.00 2.18 H new ATOM 0 HD2 LYS A 40 -11.477 4.543 12.909 1.00 2.89 H new ATOM 0 HD3 LYS A 40 -11.811 2.909 13.445 1.00 2.89 H new ATOM 0 HE2 LYS A 40 -9.555 4.675 14.482 1.00 3.36 H new ATOM 0 HE3 LYS A 40 -11.072 4.381 15.309 1.00 3.36 H new ATOM 0 HZ1 LYS A 40 -9.584 2.893 16.261 1.00 3.76 H new ATOM 0 HZ2 LYS A 40 -10.440 1.927 15.157 1.00 3.76 H new ATOM 0 HZ3 LYS A 40 -8.877 2.470 14.777 1.00 3.76 H new ATOM 637 N GLY A 41 -7.578 5.668 9.820 1.00 0.71 N ATOM 638 CA GLY A 41 -6.470 6.465 9.352 1.00 1.13 C ATOM 639 C GLY A 41 -5.480 5.660 8.546 1.00 0.94 C ATOM 640 O GLY A 41 -5.729 5.321 7.386 1.00 1.09 O ATOM 0 H GLY A 41 -7.523 4.678 9.582 1.00 0.71 H new ATOM 0 HA2 GLY A 41 -6.848 7.285 8.742 1.00 1.13 H new ATOM 0 HA3 GLY A 41 -5.961 6.911 10.206 1.00 1.13 H new ATOM 644 N THR A 42 -4.356 5.354 9.162 1.00 0.82 N ATOM 645 CA THR A 42 -3.302 4.612 8.508 1.00 0.68 C ATOM 646 C THR A 42 -3.185 3.194 9.041 1.00 0.65 C ATOM 647 O THR A 42 -3.488 2.915 10.204 1.00 0.75 O ATOM 648 CB THR A 42 -1.956 5.317 8.682 1.00 0.69 C ATOM 649 OG1 THR A 42 -1.965 6.125 9.869 1.00 0.81 O ATOM 650 CG2 THR A 42 -1.640 6.167 7.472 1.00 0.71 C ATOM 0 H THR A 42 -4.150 5.613 10.127 1.00 0.82 H new ATOM 0 HA THR A 42 -3.565 4.565 7.451 1.00 0.68 H new ATOM 0 HB THR A 42 -1.181 4.557 8.782 1.00 0.69 H new ATOM 0 HG1 THR A 42 -1.097 6.569 9.969 1.00 0.81 H new ATOM 0 HG21 THR A 42 -0.679 6.660 7.615 1.00 0.71 H new ATOM 0 HG22 THR A 42 -1.595 5.535 6.585 1.00 0.71 H new ATOM 0 HG23 THR A 42 -2.418 6.919 7.343 1.00 0.71 H new ATOM 658 N ARG A 43 -2.735 2.310 8.175 1.00 0.58 N ATOM 659 CA ARG A 43 -2.416 0.951 8.539 1.00 0.58 C ATOM 660 C ARG A 43 -1.066 0.658 7.921 1.00 0.52 C ATOM 661 O ARG A 43 -0.954 0.505 6.704 1.00 0.50 O ATOM 662 CB ARG A 43 -3.482 0.001 8.007 1.00 0.67 C ATOM 663 CG ARG A 43 -3.449 -1.402 8.600 1.00 0.86 C ATOM 664 CD ARG A 43 -3.825 -1.418 10.076 1.00 1.27 C ATOM 665 NE ARG A 43 -2.668 -1.300 10.958 1.00 1.59 N ATOM 666 CZ ARG A 43 -2.746 -1.349 12.287 1.00 2.26 C ATOM 667 NH1 ARG A 43 -3.922 -1.483 12.881 1.00 2.74 N ATOM 668 NH2 ARG A 43 -1.647 -1.267 13.019 1.00 3.01 N ATOM 0 H ARG A 43 -2.580 2.520 7.189 1.00 0.58 H new ATOM 0 HA ARG A 43 -2.385 0.817 9.620 1.00 0.58 H new ATOM 0 HB2 ARG A 43 -4.463 0.437 8.197 1.00 0.67 H new ATOM 0 HB3 ARG A 43 -3.372 -0.075 6.925 1.00 0.67 H new ATOM 0 HG2 ARG A 43 -4.134 -2.044 8.046 1.00 0.86 H new ATOM 0 HG3 ARG A 43 -2.451 -1.822 8.478 1.00 0.86 H new ATOM 0 HD2 ARG A 43 -4.515 -0.599 10.279 1.00 1.27 H new ATOM 0 HD3 ARG A 43 -4.354 -2.344 10.301 1.00 1.27 H new ATOM 0 HE ARG A 43 -1.749 -1.173 10.533 1.00 1.59 H new ATOM 0 HH11 ARG A 43 -4.772 -1.549 12.321 1.00 2.74 H new ATOM 0 HH12 ARG A 43 -3.978 -1.520 13.899 1.00 2.74 H new ATOM 0 HH21 ARG A 43 -0.739 -1.166 12.566 1.00 3.01 H new ATOM 0 HH22 ARG A 43 -1.708 -1.305 14.036 1.00 3.01 H new ATOM 682 N ILE A 44 -0.039 0.610 8.741 1.00 0.52 N ATOM 683 CA ILE A 44 1.306 0.642 8.216 1.00 0.51 C ATOM 684 C ILE A 44 1.980 -0.700 8.285 1.00 0.58 C ATOM 685 O ILE A 44 2.137 -1.303 9.349 1.00 0.66 O ATOM 686 CB ILE A 44 2.193 1.694 8.899 1.00 0.53 C ATOM 687 CG1 ILE A 44 1.605 3.080 8.699 1.00 0.56 C ATOM 688 CG2 ILE A 44 3.590 1.654 8.309 1.00 0.59 C ATOM 689 CD1 ILE A 44 0.590 3.489 9.748 1.00 0.61 C ATOM 0 H ILE A 44 -0.107 0.550 9.757 1.00 0.52 H new ATOM 0 HA ILE A 44 1.190 0.924 7.169 1.00 0.51 H new ATOM 0 HB ILE A 44 2.241 1.472 9.965 1.00 0.53 H new ATOM 0 HG12 ILE A 44 2.416 3.808 8.693 1.00 0.56 H new ATOM 0 HG13 ILE A 44 1.132 3.122 7.718 1.00 0.56 H new ATOM 0 HG21 ILE A 44 4.213 2.403 8.798 1.00 0.59 H new ATOM 0 HG22 ILE A 44 4.022 0.665 8.463 1.00 0.59 H new ATOM 0 HG23 ILE A 44 3.540 1.865 7.241 1.00 0.59 H new ATOM 0 HD11 ILE A 44 0.223 4.491 9.527 1.00 0.61 H new ATOM 0 HD12 ILE A 44 -0.244 2.787 9.741 1.00 0.61 H new ATOM 0 HD13 ILE A 44 1.060 3.483 10.731 1.00 0.61 H new ATOM 701 N ILE A 45 2.362 -1.147 7.123 1.00 0.61 N ATOM 702 CA ILE A 45 3.061 -2.354 6.928 1.00 0.74 C ATOM 703 C ILE A 45 4.516 -2.030 6.598 1.00 0.77 C ATOM 704 O ILE A 45 4.794 -1.112 5.832 1.00 0.79 O ATOM 705 CB ILE A 45 2.350 -3.080 5.828 1.00 0.95 C ATOM 706 CG1 ILE A 45 3.335 -3.699 4.935 1.00 1.11 C ATOM 707 CG2 ILE A 45 1.407 -2.155 5.061 1.00 1.62 C ATOM 708 CD1 ILE A 45 2.695 -3.969 3.650 1.00 1.20 C ATOM 0 H ILE A 45 2.179 -0.645 6.254 1.00 0.61 H new ATOM 0 HA ILE A 45 3.081 -2.991 7.813 1.00 0.74 H new ATOM 0 HB ILE A 45 1.731 -3.862 6.268 1.00 0.95 H new ATOM 0 HG12 ILE A 45 4.191 -3.038 4.800 1.00 1.11 H new ATOM 0 HG13 ILE A 45 3.712 -4.624 5.371 1.00 1.11 H new ATOM 0 HG21 ILE A 45 0.909 -2.717 4.271 1.00 1.62 H new ATOM 0 HG22 ILE A 45 0.660 -1.749 5.744 1.00 1.62 H new ATOM 0 HG23 ILE A 45 1.978 -1.338 4.620 1.00 1.62 H new ATOM 0 HD11 ILE A 45 3.416 -4.430 2.974 1.00 1.20 H new ATOM 0 HD12 ILE A 45 1.853 -4.645 3.798 1.00 1.20 H new ATOM 0 HD13 ILE A 45 2.339 -3.034 3.217 1.00 1.20 H new ATOM 720 N LYS A 46 5.440 -2.757 7.188 1.00 0.90 N ATOM 721 CA LYS A 46 6.837 -2.358 7.146 1.00 0.97 C ATOM 722 C LYS A 46 7.724 -3.493 6.655 1.00 1.10 C ATOM 723 O LYS A 46 7.503 -4.660 6.986 1.00 1.20 O ATOM 724 CB LYS A 46 7.276 -1.879 8.541 1.00 1.10 C ATOM 725 CG LYS A 46 8.651 -1.215 8.596 1.00 1.35 C ATOM 726 CD LYS A 46 9.786 -2.214 8.791 1.00 1.85 C ATOM 727 CE LYS A 46 9.709 -2.907 10.142 1.00 2.11 C ATOM 728 NZ LYS A 46 10.888 -3.777 10.387 1.00 2.65 N ATOM 0 H LYS A 46 5.256 -3.620 7.699 1.00 0.90 H new ATOM 0 HA LYS A 46 6.945 -1.537 6.437 1.00 0.97 H new ATOM 0 HB2 LYS A 46 6.534 -1.174 8.916 1.00 1.10 H new ATOM 0 HB3 LYS A 46 7.275 -2.733 9.218 1.00 1.10 H new ATOM 0 HG2 LYS A 46 8.818 -0.659 7.673 1.00 1.35 H new ATOM 0 HG3 LYS A 46 8.667 -0.491 9.411 1.00 1.35 H new ATOM 0 HD2 LYS A 46 9.752 -2.961 7.998 1.00 1.85 H new ATOM 0 HD3 LYS A 46 10.742 -1.698 8.702 1.00 1.85 H new ATOM 0 HE2 LYS A 46 9.641 -2.158 10.931 1.00 2.11 H new ATOM 0 HE3 LYS A 46 8.800 -3.506 10.191 1.00 2.11 H new ATOM 0 HZ1 LYS A 46 10.757 -4.296 11.279 1.00 2.65 H new ATOM 0 HZ2 LYS A 46 10.988 -4.454 9.604 1.00 2.65 H new ATOM 0 HZ3 LYS A 46 11.745 -3.191 10.450 1.00 2.65 H new ATOM 742 N PHE A 47 8.720 -3.128 5.864 1.00 1.20 N ATOM 743 CA PHE A 47 9.691 -4.071 5.323 1.00 1.41 C ATOM 744 C PHE A 47 11.062 -3.419 5.307 1.00 1.59 C ATOM 745 O PHE A 47 11.186 -2.236 5.591 1.00 1.68 O ATOM 746 CB PHE A 47 9.330 -4.479 3.895 1.00 1.50 C ATOM 747 CG PHE A 47 8.145 -5.388 3.768 1.00 1.87 C ATOM 748 CD1 PHE A 47 6.864 -4.874 3.746 1.00 2.53 C ATOM 749 CD2 PHE A 47 8.315 -6.757 3.643 1.00 2.17 C ATOM 750 CE1 PHE A 47 5.777 -5.705 3.605 1.00 3.14 C ATOM 751 CE2 PHE A 47 7.227 -7.589 3.506 1.00 2.69 C ATOM 752 CZ PHE A 47 5.957 -7.063 3.485 1.00 3.10 C ATOM 0 H PHE A 47 8.880 -2.163 5.576 1.00 1.20 H new ATOM 0 HA PHE A 47 9.690 -4.960 5.953 1.00 1.41 H new ATOM 0 HB2 PHE A 47 9.139 -3.577 3.314 1.00 1.50 H new ATOM 0 HB3 PHE A 47 10.193 -4.970 3.446 1.00 1.50 H new ATOM 0 HD1 PHE A 47 6.714 -3.809 3.840 1.00 2.53 H new ATOM 0 HD2 PHE A 47 9.311 -7.176 3.653 1.00 2.17 H new ATOM 0 HE1 PHE A 47 4.780 -5.290 3.589 1.00 3.14 H new ATOM 0 HE2 PHE A 47 7.371 -8.655 3.415 1.00 2.69 H new ATOM 0 HZ PHE A 47 5.103 -7.715 3.375 1.00 3.10 H new ATOM 762 N LYS A 48 12.089 -4.189 5.001 1.00 1.83 N ATOM 763 CA LYS A 48 13.409 -3.622 4.774 1.00 2.13 C ATOM 764 C LYS A 48 13.820 -3.883 3.329 1.00 2.50 C ATOM 765 O LYS A 48 13.060 -4.493 2.575 1.00 3.01 O ATOM 766 CB LYS A 48 14.445 -4.171 5.766 1.00 2.46 C ATOM 767 CG LYS A 48 14.855 -5.628 5.552 1.00 3.10 C ATOM 768 CD LYS A 48 13.790 -6.618 6.008 1.00 3.81 C ATOM 769 CE LYS A 48 14.306 -8.050 5.942 1.00 4.36 C ATOM 770 NZ LYS A 48 13.271 -9.043 6.335 1.00 4.90 N ATOM 0 H LYS A 48 12.038 -5.203 4.904 1.00 1.83 H new ATOM 0 HA LYS A 48 13.366 -2.546 4.945 1.00 2.13 H new ATOM 0 HB2 LYS A 48 15.338 -3.549 5.712 1.00 2.46 H new ATOM 0 HB3 LYS A 48 14.046 -4.069 6.775 1.00 2.46 H new ATOM 0 HG2 LYS A 48 15.065 -5.789 4.495 1.00 3.10 H new ATOM 0 HG3 LYS A 48 15.781 -5.823 6.094 1.00 3.10 H new ATOM 0 HD2 LYS A 48 13.486 -6.385 7.028 1.00 3.81 H new ATOM 0 HD3 LYS A 48 12.904 -6.518 5.381 1.00 3.81 H new ATOM 0 HE2 LYS A 48 14.646 -8.265 4.929 1.00 4.36 H new ATOM 0 HE3 LYS A 48 15.171 -8.152 6.597 1.00 4.36 H new ATOM 0 HZ1 LYS A 48 13.669 -10.002 6.274 1.00 4.90 H new ATOM 0 HZ2 LYS A 48 12.964 -8.857 7.311 1.00 4.90 H new ATOM 0 HZ3 LYS A 48 12.455 -8.966 5.695 1.00 4.90 H new ATOM 879 N ARG A 56 9.428 -7.527 -4.999 1.00 3.37 N ATOM 880 CA ARG A 56 8.870 -6.416 -4.235 1.00 2.70 C ATOM 881 C ARG A 56 7.679 -6.813 -3.366 1.00 2.24 C ATOM 882 O ARG A 56 7.617 -7.935 -2.910 1.00 2.47 O ATOM 883 CB ARG A 56 8.521 -5.285 -5.193 1.00 3.43 C ATOM 884 CG ARG A 56 7.423 -5.623 -6.190 1.00 4.15 C ATOM 885 CD ARG A 56 7.182 -4.486 -7.161 1.00 4.75 C ATOM 886 NE ARG A 56 6.250 -4.864 -8.218 1.00 5.53 N ATOM 887 CZ ARG A 56 5.478 -4.003 -8.878 1.00 6.18 C ATOM 888 NH1 ARG A 56 5.464 -2.718 -8.549 1.00 6.21 N ATOM 889 NH2 ARG A 56 4.699 -4.434 -9.857 1.00 7.08 N ATOM 0 HA ARG A 56 9.629 -6.079 -3.529 1.00 2.70 H new ATOM 0 HB2 ARG A 56 8.213 -4.415 -4.613 1.00 3.43 H new ATOM 0 HB3 ARG A 56 9.419 -5.000 -5.742 1.00 3.43 H new ATOM 0 HG2 ARG A 56 7.696 -6.522 -6.742 1.00 4.15 H new ATOM 0 HG3 ARG A 56 6.500 -5.846 -5.654 1.00 4.15 H new ATOM 0 HD2 ARG A 56 6.789 -3.624 -6.621 1.00 4.75 H new ATOM 0 HD3 ARG A 56 8.129 -4.180 -7.604 1.00 4.75 H new ATOM 0 HE ARG A 56 6.186 -5.851 -8.467 1.00 5.53 H new ATOM 0 HH11 ARG A 56 6.048 -2.381 -7.784 1.00 6.21 H new ATOM 0 HH12 ARG A 56 4.869 -2.067 -9.061 1.00 6.21 H new ATOM 0 HH21 ARG A 56 4.691 -5.424 -10.104 1.00 7.08 H new ATOM 0 HH22 ARG A 56 4.107 -3.777 -10.364 1.00 7.08 H new ATOM 903 N TRP A 57 6.786 -5.864 -3.063 1.00 1.83 N ATOM 904 CA TRP A 57 5.594 -6.149 -2.269 1.00 1.49 C ATOM 905 C TRP A 57 4.371 -5.516 -2.921 1.00 1.19 C ATOM 906 O TRP A 57 4.435 -4.376 -3.393 1.00 1.43 O ATOM 907 CB TRP A 57 5.752 -5.611 -0.843 1.00 1.69 C ATOM 908 CG TRP A 57 7.146 -5.768 -0.307 1.00 1.83 C ATOM 909 CD1 TRP A 57 7.795 -6.936 -0.043 1.00 1.56 C ATOM 910 CD2 TRP A 57 8.066 -4.718 0.013 1.00 2.78 C ATOM 911 NE1 TRP A 57 9.071 -6.680 0.392 1.00 1.85 N ATOM 912 CE2 TRP A 57 9.259 -5.325 0.443 1.00 2.70 C ATOM 913 CE3 TRP A 57 7.998 -3.326 -0.028 1.00 3.91 C ATOM 914 CZ2 TRP A 57 10.376 -4.585 0.824 1.00 3.65 C ATOM 915 CZ3 TRP A 57 9.105 -2.591 0.355 1.00 4.90 C ATOM 916 CH2 TRP A 57 10.281 -3.222 0.773 1.00 4.75 C ATOM 0 H TRP A 57 6.870 -4.891 -3.358 1.00 1.83 H new ATOM 0 HA TRP A 57 5.463 -7.230 -2.223 1.00 1.49 H new ATOM 0 HB2 TRP A 57 5.479 -4.556 -0.827 1.00 1.69 H new ATOM 0 HB3 TRP A 57 5.055 -6.131 -0.185 1.00 1.69 H new ATOM 0 HD1 TRP A 57 7.367 -7.921 -0.159 1.00 1.56 H new ATOM 0 HE1 TRP A 57 9.766 -7.385 0.637 1.00 1.85 H new ATOM 0 HE3 TRP A 57 7.096 -2.830 -0.354 1.00 3.91 H new ATOM 0 HZ2 TRP A 57 11.285 -5.071 1.148 1.00 3.65 H new ATOM 0 HZ3 TRP A 57 9.061 -1.512 0.331 1.00 4.90 H new ATOM 0 HH2 TRP A 57 11.131 -2.621 1.061 1.00 4.75 H new ATOM 927 N ASN A 58 3.264 -6.249 -2.970 1.00 0.91 N ATOM 928 CA ASN A 58 2.031 -5.712 -3.544 1.00 0.71 C ATOM 929 C ASN A 58 0.881 -5.875 -2.558 1.00 0.59 C ATOM 930 O ASN A 58 0.735 -6.938 -1.953 1.00 0.71 O ATOM 931 CB ASN A 58 1.674 -6.427 -4.854 1.00 0.74 C ATOM 932 CG ASN A 58 2.690 -6.225 -5.968 1.00 1.23 C ATOM 933 OD1 ASN A 58 3.338 -5.070 -6.000 1.00 2.05 O flip ATOM 934 ND2 ASN A 58 2.886 -7.106 -6.804 1.00 1.91 N flip ATOM 0 H ASN A 58 3.192 -7.206 -2.624 1.00 0.91 H new ATOM 0 HA ASN A 58 2.193 -4.655 -3.753 1.00 0.71 H new ATOM 0 HB2 ASN A 58 1.574 -7.494 -4.657 1.00 0.74 H new ATOM 0 HB3 ASN A 58 0.701 -6.073 -5.195 1.00 0.74 H new ATOM 0 HD21 ASN A 58 2.370 -7.984 -6.750 1.00 1.91 H new ATOM 0 HD22 ASN A 58 3.565 -6.958 -7.551 1.00 1.91 H new ATOM 941 N CYS A 59 0.068 -4.835 -2.396 1.00 0.55 N ATOM 942 CA CYS A 59 -1.085 -4.907 -1.509 1.00 0.50 C ATOM 943 C CYS A 59 -2.354 -4.951 -2.345 1.00 0.44 C ATOM 944 O CYS A 59 -2.606 -4.056 -3.148 1.00 0.56 O ATOM 945 CB CYS A 59 -1.145 -3.715 -0.534 1.00 0.60 C ATOM 946 SG CYS A 59 0.474 -3.097 0.050 1.00 0.76 S ATOM 0 H CYS A 59 0.187 -3.937 -2.866 1.00 0.55 H new ATOM 0 HA CYS A 59 -0.991 -5.812 -0.909 1.00 0.50 H new ATOM 0 HB2 CYS A 59 -1.673 -2.895 -1.021 1.00 0.60 H new ATOM 0 HB3 CYS A 59 -1.738 -4.006 0.333 1.00 0.60 H new ATOM 951 N LEU A 60 -3.155 -5.983 -2.158 1.00 0.36 N ATOM 952 CA LEU A 60 -4.343 -6.162 -2.952 1.00 0.34 C ATOM 953 C LEU A 60 -5.519 -6.000 -2.037 1.00 0.29 C ATOM 954 O LEU A 60 -5.575 -6.637 -0.989 1.00 0.32 O ATOM 955 CB LEU A 60 -4.382 -7.544 -3.624 1.00 0.44 C ATOM 956 CG LEU A 60 -3.301 -7.810 -4.681 1.00 1.27 C ATOM 957 CD1 LEU A 60 -1.959 -8.120 -4.036 1.00 1.90 C ATOM 958 CD2 LEU A 60 -3.725 -8.949 -5.594 1.00 1.85 C ATOM 0 H LEU A 60 -2.999 -6.709 -1.459 1.00 0.36 H new ATOM 0 HA LEU A 60 -4.360 -5.424 -3.754 1.00 0.34 H new ATOM 0 HB2 LEU A 60 -4.299 -8.305 -2.848 1.00 0.44 H new ATOM 0 HB3 LEU A 60 -5.358 -7.671 -4.092 1.00 0.44 H new ATOM 0 HG LEU A 60 -3.184 -6.904 -5.276 1.00 1.27 H new ATOM 0 HD11 LEU A 60 -1.216 -8.303 -4.812 1.00 1.90 H new ATOM 0 HD12 LEU A 60 -1.645 -7.274 -3.425 1.00 1.90 H new ATOM 0 HD13 LEU A 60 -2.053 -9.006 -3.408 1.00 1.90 H new ATOM 0 HD21 LEU A 60 -2.949 -9.127 -6.339 1.00 1.85 H new ATOM 0 HD22 LEU A 60 -3.875 -9.853 -5.003 1.00 1.85 H new ATOM 0 HD23 LEU A 60 -4.656 -8.686 -6.096 1.00 1.85 H new ATOM 970 N PHE A 61 -6.454 -5.170 -2.408 1.00 0.29 N ATOM 971 CA PHE A 61 -7.528 -4.866 -1.504 1.00 0.28 C ATOM 972 C PHE A 61 -8.735 -5.705 -1.875 1.00 0.37 C ATOM 973 O PHE A 61 -9.185 -5.672 -3.013 1.00 0.48 O ATOM 974 CB PHE A 61 -7.922 -3.378 -1.551 1.00 0.32 C ATOM 975 CG PHE A 61 -6.896 -2.381 -1.087 1.00 0.30 C ATOM 976 CD1 PHE A 61 -5.539 -2.669 -0.997 1.00 0.59 C ATOM 977 CD2 PHE A 61 -7.314 -1.108 -0.781 1.00 0.54 C ATOM 978 CE1 PHE A 61 -4.638 -1.699 -0.618 1.00 0.63 C ATOM 979 CE2 PHE A 61 -6.423 -0.139 -0.400 1.00 0.57 C ATOM 980 CZ PHE A 61 -5.079 -0.426 -0.324 1.00 0.37 C ATOM 0 H PHE A 61 -6.496 -4.700 -3.312 1.00 0.29 H new ATOM 0 HA PHE A 61 -7.188 -5.091 -0.493 1.00 0.28 H new ATOM 0 HB2 PHE A 61 -8.192 -3.132 -2.578 1.00 0.32 H new ATOM 0 HB3 PHE A 61 -8.819 -3.247 -0.946 1.00 0.32 H new ATOM 0 HD1 PHE A 61 -5.188 -3.664 -1.227 1.00 0.59 H new ATOM 0 HD2 PHE A 61 -8.365 -0.867 -0.842 1.00 0.54 H new ATOM 0 HE1 PHE A 61 -3.586 -1.935 -0.551 1.00 0.63 H new ATOM 0 HE2 PHE A 61 -6.776 0.853 -0.159 1.00 0.57 H new ATOM 0 HZ PHE A 61 -4.375 0.340 -0.036 1.00 0.37 H new ATOM 990 N ARG A 62 -9.220 -6.482 -0.926 1.00 0.47 N ATOM 991 CA ARG A 62 -10.408 -7.298 -1.118 1.00 0.66 C ATOM 992 C ARG A 62 -11.232 -7.268 0.161 1.00 0.89 C ATOM 993 O ARG A 62 -10.893 -6.545 1.089 1.00 1.05 O ATOM 994 CB ARG A 62 -10.036 -8.737 -1.487 1.00 0.84 C ATOM 995 CG ARG A 62 -9.344 -9.510 -0.379 1.00 1.49 C ATOM 996 CD ARG A 62 -9.149 -10.967 -0.768 1.00 1.88 C ATOM 997 NE ARG A 62 -8.226 -11.123 -1.892 1.00 2.29 N ATOM 998 CZ ARG A 62 -8.572 -11.580 -3.097 1.00 2.86 C ATOM 999 NH1 ARG A 62 -9.838 -11.877 -3.367 1.00 3.11 N ATOM 1000 NH2 ARG A 62 -7.646 -11.736 -4.035 1.00 3.63 N ATOM 0 H ARG A 62 -8.803 -6.567 0.001 1.00 0.47 H new ATOM 0 HA ARG A 62 -10.993 -6.893 -1.944 1.00 0.66 H new ATOM 0 HB2 ARG A 62 -10.942 -9.271 -1.775 1.00 0.84 H new ATOM 0 HB3 ARG A 62 -9.385 -8.718 -2.361 1.00 0.84 H new ATOM 0 HG2 ARG A 62 -8.377 -9.055 -0.163 1.00 1.49 H new ATOM 0 HG3 ARG A 62 -9.935 -9.450 0.535 1.00 1.49 H new ATOM 0 HD2 ARG A 62 -8.770 -11.522 0.090 1.00 1.88 H new ATOM 0 HD3 ARG A 62 -10.113 -11.403 -1.029 1.00 1.88 H new ATOM 0 HE ARG A 62 -7.250 -10.865 -1.744 1.00 2.29 H new ATOM 0 HH11 ARG A 62 -10.554 -11.756 -2.651 1.00 3.11 H new ATOM 0 HH12 ARG A 62 -10.094 -12.226 -4.291 1.00 3.11 H new ATOM 0 HH21 ARG A 62 -6.673 -11.507 -3.834 1.00 3.63 H new ATOM 0 HH22 ARG A 62 -7.908 -12.085 -4.957 1.00 3.63 H new ATOM 1014 N GLN A 63 -12.319 -8.012 0.212 1.00 1.13 N ATOM 1015 CA GLN A 63 -13.139 -8.058 1.415 1.00 1.48 C ATOM 1016 C GLN A 63 -13.713 -9.458 1.602 1.00 2.09 C ATOM 1017 O GLN A 63 -13.763 -10.237 0.649 1.00 2.68 O ATOM 1018 CB GLN A 63 -14.253 -7.009 1.312 1.00 1.69 C ATOM 1019 CG GLN A 63 -15.124 -6.880 2.554 1.00 2.15 C ATOM 1020 CD GLN A 63 -14.377 -6.347 3.763 1.00 2.52 C ATOM 1021 OE1 GLN A 63 -13.176 -6.569 3.932 1.00 3.00 O ATOM 1022 NE2 GLN A 63 -15.090 -5.639 4.620 1.00 3.03 N ATOM 0 H GLN A 63 -12.657 -8.590 -0.557 1.00 1.13 H new ATOM 0 HA GLN A 63 -12.527 -7.828 2.288 1.00 1.48 H new ATOM 0 HB2 GLN A 63 -13.802 -6.040 1.099 1.00 1.69 H new ATOM 0 HB3 GLN A 63 -14.890 -7.257 0.463 1.00 1.69 H new ATOM 0 HG2 GLN A 63 -15.962 -6.219 2.334 1.00 2.15 H new ATOM 0 HG3 GLN A 63 -15.544 -7.856 2.797 1.00 2.15 H new ATOM 0 HE21 GLN A 63 -16.082 -5.476 4.446 1.00 3.03 H new ATOM 0 HE22 GLN A 63 -14.649 -5.255 5.456 1.00 3.03 H new ATOM 1031 N GLY A 64 -14.112 -9.786 2.832 1.00 2.55 N ATOM 1032 CA GLY A 64 -14.707 -11.083 3.101 1.00 3.28 C ATOM 1033 C GLY A 64 -16.096 -11.191 2.529 1.00 3.41 C ATOM 1034 O GLY A 64 -17.093 -10.967 3.217 1.00 3.88 O ATOM 0 H GLY A 64 -14.033 -9.175 3.645 1.00 2.55 H new ATOM 0 HA2 GLY A 64 -14.078 -11.866 2.678 1.00 3.28 H new ATOM 0 HA3 GLY A 64 -14.743 -11.250 4.178 1.00 3.28 H new ATOM 1038 N ILE A 65 -16.131 -11.561 1.264 1.00 3.49 N ATOM 1039 CA ILE A 65 -17.307 -11.464 0.429 1.00 3.94 C ATOM 1040 C ILE A 65 -16.848 -11.835 -0.989 1.00 4.01 C ATOM 1041 O ILE A 65 -15.788 -12.452 -1.124 1.00 4.32 O ATOM 1042 CB ILE A 65 -17.857 -10.023 0.528 1.00 4.22 C ATOM 1043 CG1 ILE A 65 -19.189 -9.819 -0.209 1.00 4.91 C ATOM 1044 CG2 ILE A 65 -16.796 -9.080 0.031 1.00 3.92 C ATOM 1045 CD1 ILE A 65 -20.280 -10.773 0.228 1.00 5.57 C ATOM 0 H ILE A 65 -15.321 -11.947 0.778 1.00 3.49 H new ATOM 0 HA ILE A 65 -18.115 -12.130 0.730 1.00 3.94 H new ATOM 0 HB ILE A 65 -18.089 -9.817 1.573 1.00 4.22 H new ATOM 0 HG12 ILE A 65 -19.529 -8.796 -0.050 1.00 4.91 H new ATOM 0 HG13 ILE A 65 -19.023 -9.937 -1.280 1.00 4.91 H new ATOM 0 HG21 ILE A 65 -17.163 -8.055 0.092 1.00 3.92 H new ATOM 0 HG22 ILE A 65 -15.901 -9.182 0.645 1.00 3.92 H new ATOM 0 HG23 ILE A 65 -16.554 -9.318 -1.005 1.00 3.92 H new ATOM 0 HD11 ILE A 65 -21.190 -10.568 -0.336 1.00 5.57 H new ATOM 0 HD12 ILE A 65 -19.962 -11.799 0.043 1.00 5.57 H new ATOM 0 HD13 ILE A 65 -20.475 -10.640 1.292 1.00 5.57 H new ATOM 1057 N ASN A 66 -17.600 -11.509 -2.033 1.00 4.06 N ATOM 1058 CA ASN A 66 -17.062 -11.597 -3.391 1.00 4.27 C ATOM 1059 C ASN A 66 -15.907 -10.603 -3.541 1.00 4.09 C ATOM 1060 O ASN A 66 -15.411 -10.071 -2.547 1.00 4.26 O ATOM 1061 CB ASN A 66 -18.146 -11.310 -4.438 1.00 4.76 C ATOM 1062 CG ASN A 66 -19.269 -12.325 -4.418 1.00 5.45 C ATOM 1063 OD1 ASN A 66 -19.084 -13.473 -4.012 1.00 5.72 O ATOM 1064 ND2 ASN A 66 -20.442 -11.915 -4.874 1.00 6.08 N ATOM 0 H ASN A 66 -18.566 -11.187 -1.972 1.00 4.06 H new ATOM 0 HA ASN A 66 -16.700 -12.611 -3.558 1.00 4.27 H new ATOM 0 HB2 ASN A 66 -18.558 -10.316 -4.263 1.00 4.76 H new ATOM 0 HB3 ASN A 66 -17.692 -11.297 -5.429 1.00 4.76 H new ATOM 0 HD21 ASN A 66 -21.233 -12.558 -4.898 1.00 6.08 H new ATOM 0 HD22 ASN A 66 -20.555 -10.956 -5.202 1.00 6.08 H new ATOM 1071 N MET A 67 -15.457 -10.341 -4.759 1.00 4.09 N ATOM 1072 CA MET A 67 -14.378 -9.375 -4.938 1.00 4.13 C ATOM 1073 C MET A 67 -14.799 -8.008 -4.396 1.00 3.60 C ATOM 1074 O MET A 67 -14.016 -7.360 -3.714 1.00 3.77 O ATOM 1075 CB MET A 67 -13.923 -9.277 -6.401 1.00 4.54 C ATOM 1076 CG MET A 67 -15.004 -8.853 -7.380 1.00 5.19 C ATOM 1077 SD MET A 67 -14.384 -8.706 -9.067 1.00 6.00 S ATOM 1078 CE MET A 67 -13.776 -10.370 -9.338 1.00 6.30 C ATOM 0 H MET A 67 -15.808 -10.768 -5.616 1.00 4.09 H new ATOM 0 HA MET A 67 -13.519 -9.729 -4.369 1.00 4.13 H new ATOM 0 HB2 MET A 67 -13.098 -8.567 -6.463 1.00 4.54 H new ATOM 0 HB3 MET A 67 -13.533 -10.247 -6.711 1.00 4.54 H new ATOM 0 HG2 MET A 67 -15.817 -9.579 -7.356 1.00 5.19 H new ATOM 0 HG3 MET A 67 -15.421 -7.897 -7.065 1.00 5.19 H new ATOM 0 HE1 MET A 67 -13.707 -10.562 -10.409 1.00 6.30 H new ATOM 0 HE2 MET A 67 -12.789 -10.475 -8.887 1.00 6.30 H new ATOM 0 HE3 MET A 67 -14.461 -11.086 -8.884 1.00 6.30 H new ATOM 1088 N LYS A 68 -16.057 -7.623 -4.687 1.00 3.30 N ATOM 1089 CA LYS A 68 -16.692 -6.392 -4.175 1.00 3.12 C ATOM 1090 C LYS A 68 -15.690 -5.267 -3.922 1.00 2.78 C ATOM 1091 O LYS A 68 -15.321 -4.550 -4.843 1.00 3.25 O ATOM 1092 CB LYS A 68 -17.493 -6.684 -2.898 1.00 3.71 C ATOM 1093 CG LYS A 68 -18.538 -7.779 -3.062 1.00 4.30 C ATOM 1094 CD LYS A 68 -19.664 -7.381 -4.013 1.00 4.85 C ATOM 1095 CE LYS A 68 -20.816 -6.691 -3.293 1.00 5.37 C ATOM 1096 NZ LYS A 68 -20.434 -5.369 -2.738 1.00 5.81 N ATOM 0 H LYS A 68 -16.670 -8.167 -5.294 1.00 3.30 H new ATOM 0 HA LYS A 68 -17.369 -6.047 -4.956 1.00 3.12 H new ATOM 0 HB2 LYS A 68 -16.802 -6.971 -2.105 1.00 3.71 H new ATOM 0 HB3 LYS A 68 -17.988 -5.769 -2.574 1.00 3.71 H new ATOM 0 HG2 LYS A 68 -18.056 -8.683 -3.434 1.00 4.30 H new ATOM 0 HG3 LYS A 68 -18.960 -8.022 -2.087 1.00 4.30 H new ATOM 0 HD2 LYS A 68 -19.269 -6.716 -4.781 1.00 4.85 H new ATOM 0 HD3 LYS A 68 -20.037 -8.270 -4.522 1.00 4.85 H new ATOM 0 HE2 LYS A 68 -21.648 -6.563 -3.986 1.00 5.37 H new ATOM 0 HE3 LYS A 68 -21.170 -7.331 -2.485 1.00 5.37 H new ATOM 0 HZ1 LYS A 68 -21.287 -4.791 -2.599 1.00 5.81 H new ATOM 0 HZ2 LYS A 68 -19.953 -5.501 -1.825 1.00 5.81 H new ATOM 0 HZ3 LYS A 68 -19.793 -4.887 -3.400 1.00 5.81 H new ATOM 1110 N PHE A 69 -15.245 -5.144 -2.677 1.00 2.52 N ATOM 1111 CA PHE A 69 -14.254 -4.147 -2.284 1.00 2.44 C ATOM 1112 C PHE A 69 -12.858 -4.532 -2.785 1.00 2.04 C ATOM 1113 O PHE A 69 -12.017 -4.961 -2.002 1.00 2.83 O ATOM 1114 CB PHE A 69 -14.230 -4.038 -0.758 1.00 3.01 C ATOM 1115 CG PHE A 69 -15.213 -3.057 -0.190 1.00 3.88 C ATOM 1116 CD1 PHE A 69 -14.904 -1.706 -0.130 1.00 4.80 C ATOM 1117 CD2 PHE A 69 -16.437 -3.482 0.298 1.00 4.14 C ATOM 1118 CE1 PHE A 69 -15.798 -0.800 0.403 1.00 5.84 C ATOM 1119 CE2 PHE A 69 -17.336 -2.580 0.832 1.00 5.20 C ATOM 1120 CZ PHE A 69 -17.016 -1.237 0.885 1.00 6.01 C ATOM 0 H PHE A 69 -15.562 -5.735 -1.908 1.00 2.52 H new ATOM 0 HA PHE A 69 -14.529 -3.190 -2.729 1.00 2.44 H new ATOM 0 HB2 PHE A 69 -14.430 -5.021 -0.333 1.00 3.01 H new ATOM 0 HB3 PHE A 69 -13.227 -3.752 -0.442 1.00 3.01 H new ATOM 0 HD1 PHE A 69 -13.952 -1.359 -0.505 1.00 4.80 H new ATOM 0 HD2 PHE A 69 -16.692 -4.531 0.261 1.00 4.14 H new ATOM 0 HE1 PHE A 69 -15.545 0.249 0.443 1.00 5.84 H new ATOM 0 HE2 PHE A 69 -18.288 -2.924 1.208 1.00 5.20 H new ATOM 0 HZ PHE A 69 -17.717 -0.530 1.303 1.00 6.01 H new ATOM 1130 N PHE A 70 -12.610 -4.369 -4.081 1.00 1.22 N ATOM 1131 CA PHE A 70 -11.385 -4.878 -4.681 1.00 0.92 C ATOM 1132 C PHE A 70 -10.525 -3.794 -5.331 1.00 0.79 C ATOM 1133 O PHE A 70 -11.025 -2.779 -5.816 1.00 1.19 O ATOM 1134 CB PHE A 70 -11.729 -5.928 -5.722 1.00 1.37 C ATOM 1135 CG PHE A 70 -10.587 -6.838 -5.995 1.00 1.92 C ATOM 1136 CD1 PHE A 70 -10.112 -7.634 -4.984 1.00 2.15 C ATOM 1137 CD2 PHE A 70 -9.974 -6.890 -7.233 1.00 2.74 C ATOM 1138 CE1 PHE A 70 -9.056 -8.466 -5.179 1.00 2.96 C ATOM 1139 CE2 PHE A 70 -8.908 -7.730 -7.446 1.00 3.59 C ATOM 1140 CZ PHE A 70 -8.441 -8.524 -6.414 1.00 3.63 C ATOM 0 H PHE A 70 -13.236 -3.892 -4.730 1.00 1.22 H new ATOM 0 HA PHE A 70 -10.797 -5.305 -3.868 1.00 0.92 H new ATOM 0 HB2 PHE A 70 -12.583 -6.512 -5.379 1.00 1.37 H new ATOM 0 HB3 PHE A 70 -12.029 -5.436 -6.647 1.00 1.37 H new ATOM 0 HD1 PHE A 70 -10.587 -7.599 -4.014 1.00 2.15 H new ATOM 0 HD2 PHE A 70 -10.335 -6.267 -8.037 1.00 2.74 H new ATOM 0 HE1 PHE A 70 -8.697 -9.082 -4.368 1.00 2.96 H new ATOM 0 HE2 PHE A 70 -8.436 -7.770 -8.417 1.00 3.59 H new ATOM 0 HZ PHE A 70 -7.601 -9.185 -6.573 1.00 3.63 H new ATOM 1150 N THR A 71 -9.224 -4.054 -5.318 1.00 0.58 N ATOM 1151 CA THR A 71 -8.230 -3.303 -6.086 1.00 0.49 C ATOM 1152 C THR A 71 -6.853 -3.908 -5.876 1.00 0.40 C ATOM 1153 O THR A 71 -6.683 -4.827 -5.076 1.00 0.49 O ATOM 1154 CB THR A 71 -8.195 -1.784 -5.782 1.00 0.56 C ATOM 1155 OG1 THR A 71 -7.630 -1.087 -6.897 1.00 0.81 O ATOM 1156 CG2 THR A 71 -7.370 -1.455 -4.556 1.00 0.48 C ATOM 0 H THR A 71 -8.818 -4.808 -4.763 1.00 0.58 H new ATOM 0 HA THR A 71 -8.534 -3.387 -7.129 1.00 0.49 H new ATOM 0 HB THR A 71 -9.224 -1.475 -5.596 1.00 0.56 H new ATOM 0 HG1 THR A 71 -8.350 -0.741 -7.465 1.00 0.81 H new ATOM 0 HG21 THR A 71 -7.380 -0.378 -4.389 1.00 0.48 H new ATOM 0 HG22 THR A 71 -7.792 -1.960 -3.687 1.00 0.48 H new ATOM 0 HG23 THR A 71 -6.344 -1.790 -4.708 1.00 0.48 H new ATOM 1164 N GLU A 72 -5.879 -3.390 -6.595 1.00 0.49 N ATOM 1165 CA GLU A 72 -4.574 -4.007 -6.657 1.00 0.45 C ATOM 1166 C GLU A 72 -3.491 -2.937 -6.669 1.00 0.47 C ATOM 1167 O GLU A 72 -3.257 -2.299 -7.696 1.00 0.57 O ATOM 1168 CB GLU A 72 -4.515 -4.843 -7.924 1.00 0.63 C ATOM 1169 CG GLU A 72 -3.587 -6.038 -7.836 1.00 1.19 C ATOM 1170 CD GLU A 72 -3.483 -6.780 -9.149 1.00 1.50 C ATOM 1171 OE1 GLU A 72 -2.443 -6.652 -9.826 1.00 1.83 O ATOM 1172 OE2 GLU A 72 -4.441 -7.490 -9.518 1.00 1.80 O ATOM 0 H GLU A 72 -5.969 -2.537 -7.147 1.00 0.49 H new ATOM 0 HA GLU A 72 -4.407 -4.639 -5.785 1.00 0.45 H new ATOM 0 HB2 GLU A 72 -5.519 -5.194 -8.162 1.00 0.63 H new ATOM 0 HB3 GLU A 72 -4.195 -4.208 -8.750 1.00 0.63 H new ATOM 0 HG2 GLU A 72 -2.596 -5.704 -7.530 1.00 1.19 H new ATOM 0 HG3 GLU A 72 -3.946 -6.718 -7.064 1.00 1.19 H new ATOM 1179 N VAL A 73 -2.838 -2.730 -5.532 1.00 0.44 N ATOM 1180 CA VAL A 73 -1.903 -1.625 -5.403 1.00 0.52 C ATOM 1181 C VAL A 73 -0.474 -2.119 -5.210 1.00 0.64 C ATOM 1182 O VAL A 73 -0.225 -3.073 -4.473 1.00 0.76 O ATOM 1183 CB VAL A 73 -2.258 -0.690 -4.234 1.00 0.52 C ATOM 1184 CG1 VAL A 73 -1.990 0.750 -4.625 1.00 0.66 C ATOM 1185 CG2 VAL A 73 -3.699 -0.872 -3.796 1.00 0.53 C ATOM 0 H VAL A 73 -2.938 -3.306 -4.696 1.00 0.44 H new ATOM 0 HA VAL A 73 -1.977 -1.067 -6.336 1.00 0.52 H new ATOM 0 HB VAL A 73 -1.626 -0.949 -3.384 1.00 0.52 H new ATOM 0 HG11 VAL A 73 -2.244 1.406 -3.793 1.00 0.66 H new ATOM 0 HG12 VAL A 73 -0.935 0.869 -4.873 1.00 0.66 H new ATOM 0 HG13 VAL A 73 -2.598 1.011 -5.491 1.00 0.66 H new ATOM 0 HG21 VAL A 73 -3.916 -0.196 -2.969 1.00 0.53 H new ATOM 0 HG22 VAL A 73 -4.364 -0.649 -4.630 1.00 0.53 H new ATOM 0 HG23 VAL A 73 -3.854 -1.902 -3.474 1.00 0.53 H new ATOM 1195 N GLU A 74 0.461 -1.465 -5.872 1.00 0.80 N ATOM 1196 CA GLU A 74 1.863 -1.792 -5.741 1.00 0.96 C ATOM 1197 C GLU A 74 2.477 -1.025 -4.575 1.00 0.98 C ATOM 1198 O GLU A 74 2.723 0.174 -4.674 1.00 1.16 O ATOM 1199 CB GLU A 74 2.582 -1.438 -7.036 1.00 1.24 C ATOM 1200 CG GLU A 74 1.990 -2.110 -8.263 1.00 1.49 C ATOM 1201 CD GLU A 74 2.380 -1.410 -9.545 1.00 1.71 C ATOM 1202 OE1 GLU A 74 3.468 -1.707 -10.083 1.00 2.25 O ATOM 1203 OE2 GLU A 74 1.598 -0.561 -10.021 1.00 2.02 O ATOM 0 H GLU A 74 0.269 -0.695 -6.513 1.00 0.80 H new ATOM 0 HA GLU A 74 1.968 -2.859 -5.545 1.00 0.96 H new ATOM 0 HB2 GLU A 74 2.553 -0.357 -7.174 1.00 1.24 H new ATOM 0 HB3 GLU A 74 3.631 -1.720 -6.948 1.00 1.24 H new ATOM 0 HG2 GLU A 74 2.323 -3.147 -8.302 1.00 1.49 H new ATOM 0 HG3 GLU A 74 0.904 -2.127 -8.177 1.00 1.49 H new ATOM 1210 N ALA A 75 2.716 -1.722 -3.470 1.00 1.06 N ATOM 1211 CA ALA A 75 3.305 -1.109 -2.283 1.00 1.12 C ATOM 1212 C ALA A 75 4.684 -0.551 -2.583 1.00 1.43 C ATOM 1213 O ALA A 75 5.097 0.457 -2.022 1.00 1.80 O ATOM 1214 CB ALA A 75 3.410 -2.124 -1.162 1.00 1.02 C ATOM 0 H ALA A 75 2.510 -2.716 -3.370 1.00 1.06 H new ATOM 0 HA ALA A 75 2.654 -0.291 -1.976 1.00 1.12 H new ATOM 0 HB1 ALA A 75 3.851 -1.652 -0.284 1.00 1.02 H new ATOM 0 HB2 ALA A 75 2.416 -2.496 -0.913 1.00 1.02 H new ATOM 0 HB3 ALA A 75 4.039 -2.955 -1.481 1.00 1.02 H new ATOM 1220 N TYR A 76 5.392 -1.214 -3.474 1.00 1.71 N ATOM 1221 CA TYR A 76 6.772 -0.869 -3.734 1.00 2.10 C ATOM 1222 C TYR A 76 7.096 -0.977 -5.218 1.00 2.93 C ATOM 1223 O TYR A 76 6.556 -1.830 -5.923 1.00 3.37 O ATOM 1224 CB TYR A 76 7.664 -1.795 -2.907 1.00 2.06 C ATOM 1225 CG TYR A 76 9.148 -1.516 -3.005 1.00 2.42 C ATOM 1226 CD1 TYR A 76 10.000 -2.400 -3.656 1.00 3.02 C ATOM 1227 CD2 TYR A 76 9.702 -0.378 -2.434 1.00 2.63 C ATOM 1228 CE1 TYR A 76 11.352 -2.161 -3.735 1.00 3.55 C ATOM 1229 CE2 TYR A 76 11.055 -0.129 -2.513 1.00 3.23 C ATOM 1230 CZ TYR A 76 11.879 -1.025 -3.164 1.00 3.62 C ATOM 1231 OH TYR A 76 13.231 -0.784 -3.240 1.00 4.28 O ATOM 0 H TYR A 76 5.035 -1.992 -4.028 1.00 1.71 H new ATOM 0 HA TYR A 76 6.951 0.167 -3.447 1.00 2.10 H new ATOM 0 HB2 TYR A 76 7.365 -1.723 -1.861 1.00 2.06 H new ATOM 0 HB3 TYR A 76 7.482 -2.823 -3.220 1.00 2.06 H new ATOM 0 HD1 TYR A 76 9.593 -3.292 -4.109 1.00 3.02 H new ATOM 0 HD2 TYR A 76 9.062 0.323 -1.920 1.00 2.63 H new ATOM 0 HE1 TYR A 76 11.998 -2.862 -4.243 1.00 3.55 H new ATOM 0 HE2 TYR A 76 11.469 0.763 -2.067 1.00 3.23 H new ATOM 0 HH TYR A 76 13.439 0.060 -2.788 1.00 4.28 H new ATOM 1383 N CYS A 85 15.158 4.354 1.239 1.00 2.66 N ATOM 1384 CA CYS A 85 15.634 4.691 2.570 1.00 3.24 C ATOM 1385 C CYS A 85 14.692 5.651 3.275 1.00 3.77 C ATOM 1386 O CYS A 85 13.791 5.247 4.004 1.00 4.31 O ATOM 1387 CB CYS A 85 17.051 5.243 2.469 1.00 3.79 C ATOM 1388 SG CYS A 85 18.144 4.256 1.391 1.00 4.64 S ATOM 0 HA CYS A 85 15.655 3.790 3.182 1.00 3.24 H new ATOM 0 HB2 CYS A 85 17.008 6.265 2.091 1.00 3.79 H new ATOM 0 HB3 CYS A 85 17.486 5.290 3.467 1.00 3.79 H new ATOM 0 HG CYS A 85 17.426 3.607 0.523 1.00 4.64 H new ATOM 1393 N GLY A 86 14.898 6.904 3.021 1.00 4.00 N ATOM 1394 CA GLY A 86 14.040 7.955 3.542 1.00 4.75 C ATOM 1395 C GLY A 86 12.696 8.031 2.827 1.00 4.42 C ATOM 1396 O GLY A 86 12.028 9.065 2.858 1.00 5.13 O ATOM 0 H GLY A 86 15.668 7.243 2.444 1.00 4.00 H new ATOM 0 HA2 GLY A 86 13.871 7.786 4.605 1.00 4.75 H new ATOM 0 HA3 GLY A 86 14.550 8.914 3.449 1.00 4.75 H new ATOM 1400 N LYS A 87 12.290 6.934 2.196 1.00 3.51 N ATOM 1401 CA LYS A 87 11.119 6.935 1.331 1.00 3.25 C ATOM 1402 C LYS A 87 9.939 6.248 1.999 1.00 2.57 C ATOM 1403 O LYS A 87 10.113 5.339 2.810 1.00 2.57 O ATOM 1404 CB LYS A 87 11.424 6.201 0.027 1.00 3.54 C ATOM 1405 CG LYS A 87 10.914 6.921 -1.211 1.00 4.49 C ATOM 1406 CD LYS A 87 11.787 8.122 -1.545 1.00 5.19 C ATOM 1407 CE LYS A 87 11.219 8.938 -2.695 1.00 6.18 C ATOM 1408 NZ LYS A 87 10.075 9.785 -2.266 1.00 6.95 N ATOM 0 H LYS A 87 12.758 6.030 2.269 1.00 3.51 H new ATOM 0 HA LYS A 87 10.865 7.976 1.131 1.00 3.25 H new ATOM 0 HB2 LYS A 87 12.502 6.065 -0.060 1.00 3.54 H new ATOM 0 HB3 LYS A 87 10.980 5.206 0.067 1.00 3.54 H new ATOM 0 HG2 LYS A 87 10.899 6.232 -2.056 1.00 4.49 H new ATOM 0 HG3 LYS A 87 9.887 7.248 -1.048 1.00 4.49 H new ATOM 0 HD2 LYS A 87 11.883 8.756 -0.664 1.00 5.19 H new ATOM 0 HD3 LYS A 87 12.789 7.781 -1.803 1.00 5.19 H new ATOM 0 HE2 LYS A 87 12.002 9.571 -3.112 1.00 6.18 H new ATOM 0 HE3 LYS A 87 10.895 8.267 -3.490 1.00 6.18 H new ATOM 0 HZ1 LYS A 87 9.219 9.499 -2.782 1.00 6.95 H new ATOM 0 HZ2 LYS A 87 9.919 9.667 -1.245 1.00 6.95 H new ATOM 0 HZ3 LYS A 87 10.286 10.783 -2.471 1.00 6.95 H new ATOM 1422 N ARG A 88 8.743 6.692 1.647 1.00 2.48 N ATOM 1423 CA ARG A 88 7.514 6.087 2.134 1.00 2.17 C ATOM 1424 C ARG A 88 6.472 6.065 1.022 1.00 1.70 C ATOM 1425 O ARG A 88 6.228 7.081 0.369 1.00 2.18 O ATOM 1426 CB ARG A 88 6.980 6.859 3.348 1.00 3.14 C ATOM 1427 CG ARG A 88 6.844 8.358 3.113 1.00 3.80 C ATOM 1428 CD ARG A 88 6.332 9.081 4.350 1.00 4.78 C ATOM 1429 NE ARG A 88 4.919 8.805 4.619 1.00 5.43 N ATOM 1430 CZ ARG A 88 4.443 8.430 5.806 1.00 6.34 C ATOM 1431 NH1 ARG A 88 5.268 8.182 6.815 1.00 6.69 N ATOM 1432 NH2 ARG A 88 3.136 8.293 5.978 1.00 7.15 N ATOM 0 H ARG A 88 8.597 7.481 1.017 1.00 2.48 H new ATOM 0 HA ARG A 88 7.725 5.063 2.443 1.00 2.17 H new ATOM 0 HB2 ARG A 88 6.006 6.454 3.624 1.00 3.14 H new ATOM 0 HB3 ARG A 88 7.646 6.692 4.194 1.00 3.14 H new ATOM 0 HG2 ARG A 88 7.811 8.770 2.826 1.00 3.80 H new ATOM 0 HG3 ARG A 88 6.163 8.535 2.281 1.00 3.80 H new ATOM 0 HD2 ARG A 88 6.927 8.783 5.213 1.00 4.78 H new ATOM 0 HD3 ARG A 88 6.471 10.155 4.222 1.00 4.78 H new ATOM 0 HE ARG A 88 4.257 8.906 3.849 1.00 5.43 H new ATOM 0 HH11 ARG A 88 6.275 8.278 6.686 1.00 6.69 H new ATOM 0 HH12 ARG A 88 4.895 7.896 7.720 1.00 6.69 H new ATOM 0 HH21 ARG A 88 2.498 8.474 5.203 1.00 7.15 H new ATOM 0 HH22 ARG A 88 2.768 8.006 6.885 1.00 7.15 H new ATOM 1446 N TYR A 89 5.887 4.903 0.784 1.00 1.34 N ATOM 1447 CA TYR A 89 4.827 4.775 -0.207 1.00 1.31 C ATOM 1448 C TYR A 89 3.476 4.789 0.479 1.00 1.05 C ATOM 1449 O TYR A 89 3.200 3.947 1.332 1.00 1.43 O ATOM 1450 CB TYR A 89 4.958 3.479 -1.011 1.00 2.13 C ATOM 1451 CG TYR A 89 6.144 3.421 -1.946 1.00 2.67 C ATOM 1452 CD1 TYR A 89 5.973 3.610 -3.310 1.00 3.40 C ATOM 1453 CD2 TYR A 89 7.425 3.162 -1.472 1.00 2.94 C ATOM 1454 CE1 TYR A 89 7.042 3.546 -4.176 1.00 4.21 C ATOM 1455 CE2 TYR A 89 8.502 3.098 -2.335 1.00 3.68 C ATOM 1456 CZ TYR A 89 8.303 3.291 -3.686 1.00 4.27 C ATOM 1457 OH TYR A 89 9.368 3.238 -4.553 1.00 5.18 O ATOM 0 H TYR A 89 6.127 4.034 1.262 1.00 1.34 H new ATOM 0 HA TYR A 89 4.915 5.619 -0.891 1.00 1.31 H new ATOM 0 HB2 TYR A 89 5.023 2.643 -0.315 1.00 2.13 H new ATOM 0 HB3 TYR A 89 4.048 3.338 -1.594 1.00 2.13 H new ATOM 0 HD1 TYR A 89 4.986 3.811 -3.699 1.00 3.40 H new ATOM 0 HD2 TYR A 89 7.580 3.009 -0.414 1.00 2.94 H new ATOM 0 HE1 TYR A 89 6.892 3.695 -5.235 1.00 4.21 H new ATOM 0 HE2 TYR A 89 9.493 2.898 -1.954 1.00 3.68 H new ATOM 0 HH TYR A 89 9.591 4.144 -4.853 1.00 5.18 H new ATOM 1467 N GLU A 90 2.651 5.755 0.129 1.00 0.79 N ATOM 1468 CA GLU A 90 1.308 5.818 0.653 1.00 0.71 C ATOM 1469 C GLU A 90 0.296 5.519 -0.423 1.00 0.53 C ATOM 1470 O GLU A 90 0.212 6.222 -1.436 1.00 0.63 O ATOM 1471 CB GLU A 90 1.012 7.186 1.262 1.00 1.07 C ATOM 1472 CG GLU A 90 -0.454 7.370 1.627 1.00 1.28 C ATOM 1473 CD GLU A 90 -0.710 8.667 2.369 1.00 1.79 C ATOM 1474 OE1 GLU A 90 -1.255 9.615 1.771 1.00 2.09 O ATOM 1475 OE2 GLU A 90 -0.361 8.744 3.565 1.00 2.07 O ATOM 0 H GLU A 90 2.891 6.507 -0.517 1.00 0.79 H new ATOM 0 HA GLU A 90 1.233 5.063 1.436 1.00 0.71 H new ATOM 0 HB2 GLU A 90 1.623 7.320 2.155 1.00 1.07 H new ATOM 0 HB3 GLU A 90 1.305 7.963 0.556 1.00 1.07 H new ATOM 0 HG2 GLU A 90 -1.056 7.350 0.719 1.00 1.28 H new ATOM 0 HG3 GLU A 90 -0.779 6.532 2.244 1.00 1.28 H new ATOM 1482 N LEU A 91 -0.453 4.461 -0.209 1.00 0.50 N ATOM 1483 CA LEU A 91 -1.613 4.205 -1.018 1.00 0.43 C ATOM 1484 C LEU A 91 -2.817 4.312 -0.121 1.00 0.43 C ATOM 1485 O LEU A 91 -2.894 3.639 0.906 1.00 0.57 O ATOM 1486 CB LEU A 91 -1.609 2.819 -1.696 1.00 0.50 C ATOM 1487 CG LEU A 91 -0.254 2.273 -2.201 1.00 0.93 C ATOM 1488 CD1 LEU A 91 0.464 3.287 -3.072 1.00 1.82 C ATOM 1489 CD2 LEU A 91 0.637 1.820 -1.050 1.00 1.02 C ATOM 0 H LEU A 91 -0.277 3.768 0.518 1.00 0.50 H new ATOM 0 HA LEU A 91 -1.624 4.935 -1.827 1.00 0.43 H new ATOM 0 HB2 LEU A 91 -2.019 2.098 -0.989 1.00 0.50 H new ATOM 0 HB3 LEU A 91 -2.293 2.858 -2.544 1.00 0.50 H new ATOM 0 HG LEU A 91 -0.473 1.399 -2.814 1.00 0.93 H new ATOM 0 HD11 LEU A 91 1.413 2.870 -3.409 1.00 1.82 H new ATOM 0 HD12 LEU A 91 -0.155 3.527 -3.937 1.00 1.82 H new ATOM 0 HD13 LEU A 91 0.651 4.194 -2.496 1.00 1.82 H new ATOM 0 HD21 LEU A 91 1.580 1.443 -1.446 1.00 1.02 H new ATOM 0 HD22 LEU A 91 0.833 2.663 -0.388 1.00 1.02 H new ATOM 0 HD23 LEU A 91 0.136 1.029 -0.492 1.00 1.02 H new ATOM 1501 N SER A 92 -3.746 5.156 -0.483 1.00 0.43 N ATOM 1502 CA SER A 92 -4.873 5.405 0.375 1.00 0.48 C ATOM 1503 C SER A 92 -6.156 5.012 -0.306 1.00 0.43 C ATOM 1504 O SER A 92 -6.403 5.368 -1.456 1.00 0.51 O ATOM 1505 CB SER A 92 -4.908 6.872 0.807 1.00 0.59 C ATOM 1506 OG SER A 92 -4.815 7.745 -0.298 1.00 1.23 O ATOM 0 H SER A 92 -3.746 5.679 -1.359 1.00 0.43 H new ATOM 0 HA SER A 92 -4.766 4.792 1.270 1.00 0.48 H new ATOM 0 HB2 SER A 92 -5.832 7.069 1.350 1.00 0.59 H new ATOM 0 HB3 SER A 92 -4.086 7.068 1.496 1.00 0.59 H new ATOM 0 HG SER A 92 -5.531 7.543 -0.936 1.00 1.23 H new ATOM 1512 N ALA A 93 -6.954 4.256 0.407 1.00 0.52 N ATOM 1513 CA ALA A 93 -8.217 3.822 -0.090 1.00 0.54 C ATOM 1514 C ALA A 93 -9.271 4.727 0.419 1.00 0.62 C ATOM 1515 O ALA A 93 -9.836 4.538 1.495 1.00 0.83 O ATOM 1516 CB ALA A 93 -8.487 2.420 0.316 1.00 0.66 C ATOM 0 H ALA A 93 -6.737 3.929 1.348 1.00 0.52 H new ATOM 0 HA ALA A 93 -8.208 3.854 -1.179 1.00 0.54 H new ATOM 0 HB1 ALA A 93 -9.456 2.109 -0.074 1.00 0.66 H new ATOM 0 HB2 ALA A 93 -7.709 1.769 -0.083 1.00 0.66 H new ATOM 0 HB3 ALA A 93 -8.494 2.351 1.404 1.00 0.66 H new ATOM 1522 N ARG A 94 -9.520 5.707 -0.372 1.00 0.91 N ATOM 1523 CA ARG A 94 -10.328 6.820 0.060 1.00 1.26 C ATOM 1524 C ARG A 94 -11.525 6.996 -0.786 1.00 0.70 C ATOM 1525 O ARG A 94 -11.628 6.482 -1.891 1.00 1.17 O ATOM 1526 CB ARG A 94 -9.540 8.134 0.075 1.00 2.35 C ATOM 1527 CG ARG A 94 -8.180 8.057 0.741 1.00 3.37 C ATOM 1528 CD ARG A 94 -7.709 9.432 1.200 1.00 4.38 C ATOM 1529 NE ARG A 94 -7.857 10.449 0.161 1.00 5.11 N ATOM 1530 CZ ARG A 94 -7.720 11.758 0.377 1.00 6.01 C ATOM 1531 NH1 ARG A 94 -7.434 12.208 1.592 1.00 6.36 N ATOM 1532 NH2 ARG A 94 -7.875 12.617 -0.621 1.00 6.80 N ATOM 0 H ARG A 94 -9.179 5.773 -1.331 1.00 0.91 H new ATOM 0 HA ARG A 94 -10.639 6.579 1.076 1.00 1.26 H new ATOM 0 HB2 ARG A 94 -9.406 8.472 -0.953 1.00 2.35 H new ATOM 0 HB3 ARG A 94 -10.135 8.892 0.585 1.00 2.35 H new ATOM 0 HG2 ARG A 94 -8.229 7.383 1.596 1.00 3.37 H new ATOM 0 HG3 ARG A 94 -7.455 7.636 0.045 1.00 3.37 H new ATOM 0 HD2 ARG A 94 -8.277 9.732 2.081 1.00 4.38 H new ATOM 0 HD3 ARG A 94 -6.663 9.373 1.500 1.00 4.38 H new ATOM 0 HE ARG A 94 -8.078 10.139 -0.785 1.00 5.11 H new ATOM 0 HH11 ARG A 94 -7.318 11.552 2.365 1.00 6.36 H new ATOM 0 HH12 ARG A 94 -7.330 13.210 1.753 1.00 6.36 H new ATOM 0 HH21 ARG A 94 -8.099 12.277 -1.556 1.00 6.80 H new ATOM 0 HH22 ARG A 94 -7.770 13.618 -0.454 1.00 6.80 H new ATOM 1546 N MET A 95 -12.419 7.711 -0.164 1.00 0.84 N ATOM 1547 CA MET A 95 -13.687 8.142 -0.692 1.00 1.41 C ATOM 1548 C MET A 95 -13.752 8.149 -2.229 1.00 1.48 C ATOM 1549 O MET A 95 -14.716 7.655 -2.816 1.00 2.12 O ATOM 1550 CB MET A 95 -13.941 9.550 -0.153 1.00 2.09 C ATOM 1551 CG MET A 95 -13.404 9.758 1.266 1.00 2.32 C ATOM 1552 SD MET A 95 -13.592 11.456 1.848 1.00 3.26 S ATOM 1553 CE MET A 95 -15.361 11.685 1.682 1.00 3.27 C ATOM 0 H MET A 95 -12.272 8.032 0.793 1.00 0.84 H new ATOM 0 HA MET A 95 -14.450 7.431 -0.374 1.00 1.41 H new ATOM 0 HB2 MET A 95 -13.477 10.277 -0.820 1.00 2.09 H new ATOM 0 HB3 MET A 95 -15.013 9.748 -0.162 1.00 2.09 H new ATOM 0 HG2 MET A 95 -13.925 9.086 1.948 1.00 2.32 H new ATOM 0 HG3 MET A 95 -12.349 9.485 1.293 1.00 2.32 H new ATOM 0 HE1 MET A 95 -15.667 12.569 2.241 1.00 3.27 H new ATOM 0 HE2 MET A 95 -15.614 11.815 0.630 1.00 3.27 H new ATOM 0 HE3 MET A 95 -15.880 10.810 2.074 1.00 3.27 H new ATOM 1563 N ASP A 96 -12.730 8.716 -2.870 1.00 1.26 N ATOM 1564 CA ASP A 96 -12.671 8.784 -4.330 1.00 1.45 C ATOM 1565 C ASP A 96 -12.040 7.519 -4.932 1.00 1.30 C ATOM 1566 O ASP A 96 -12.745 6.650 -5.445 1.00 1.97 O ATOM 1567 CB ASP A 96 -11.887 10.028 -4.764 1.00 1.76 C ATOM 1568 CG ASP A 96 -11.766 10.157 -6.268 1.00 2.34 C ATOM 1569 OD1 ASP A 96 -12.790 10.006 -6.970 1.00 2.78 O ATOM 1570 OD2 ASP A 96 -10.652 10.438 -6.756 1.00 2.86 O ATOM 0 H ASP A 96 -11.929 9.136 -2.399 1.00 1.26 H new ATOM 0 HA ASP A 96 -13.692 8.852 -4.704 1.00 1.45 H new ATOM 0 HB2 ASP A 96 -12.378 10.917 -4.367 1.00 1.76 H new ATOM 0 HB3 ASP A 96 -10.889 9.993 -4.327 1.00 1.76 H new ATOM 1575 N ALA A 97 -10.717 7.417 -4.851 1.00 0.84 N ATOM 1576 CA ALA A 97 -9.984 6.288 -5.426 1.00 0.62 C ATOM 1577 C ALA A 97 -8.904 5.816 -4.476 1.00 0.60 C ATOM 1578 O ALA A 97 -8.845 6.220 -3.313 1.00 0.92 O ATOM 1579 CB ALA A 97 -9.335 6.678 -6.759 1.00 0.55 C ATOM 0 H ALA A 97 -10.124 8.107 -4.389 1.00 0.84 H new ATOM 0 HA ALA A 97 -10.700 5.484 -5.596 1.00 0.62 H new ATOM 0 HB1 ALA A 97 -8.796 5.822 -7.166 1.00 0.55 H new ATOM 0 HB2 ALA A 97 -10.107 6.988 -7.463 1.00 0.55 H new ATOM 0 HB3 ALA A 97 -8.639 7.501 -6.598 1.00 0.55 H new ATOM 1585 N ILE A 98 -8.066 4.947 -4.993 1.00 0.39 N ATOM 1586 CA ILE A 98 -6.867 4.524 -4.321 1.00 0.34 C ATOM 1587 C ILE A 98 -5.723 5.406 -4.776 1.00 0.32 C ATOM 1588 O ILE A 98 -5.517 5.614 -5.974 1.00 0.35 O ATOM 1589 CB ILE A 98 -6.544 3.056 -4.634 1.00 0.37 C ATOM 1590 CG1 ILE A 98 -7.654 2.167 -4.066 1.00 0.46 C ATOM 1591 CG2 ILE A 98 -5.167 2.671 -4.037 1.00 0.38 C ATOM 1592 CD1 ILE A 98 -7.409 1.760 -2.655 1.00 0.50 C ATOM 0 H ILE A 98 -8.203 4.510 -5.905 1.00 0.39 H new ATOM 0 HA ILE A 98 -7.013 4.612 -3.244 1.00 0.34 H new ATOM 0 HB ILE A 98 -6.492 2.913 -5.713 1.00 0.37 H new ATOM 0 HG12 ILE A 98 -8.604 2.699 -4.125 1.00 0.46 H new ATOM 0 HG13 ILE A 98 -7.749 1.274 -4.684 1.00 0.46 H new ATOM 0 HG21 ILE A 98 -4.950 1.628 -4.266 1.00 0.38 H new ATOM 0 HG22 ILE A 98 -4.393 3.306 -4.468 1.00 0.38 H new ATOM 0 HG23 ILE A 98 -5.188 2.808 -2.956 1.00 0.38 H new ATOM 0 HD11 ILE A 98 -8.230 1.132 -2.310 1.00 0.50 H new ATOM 0 HD12 ILE A 98 -6.475 1.202 -2.594 1.00 0.50 H new ATOM 0 HD13 ILE A 98 -7.343 2.648 -2.026 1.00 0.50 H new ATOM 1604 N TYR A 99 -5.004 5.944 -3.832 1.00 0.40 N ATOM 1605 CA TYR A 99 -3.930 6.867 -4.150 1.00 0.53 C ATOM 1606 C TYR A 99 -2.612 6.124 -4.266 1.00 0.63 C ATOM 1607 O TYR A 99 -2.458 5.045 -3.707 1.00 0.86 O ATOM 1608 CB TYR A 99 -3.846 7.974 -3.104 1.00 0.79 C ATOM 1609 CG TYR A 99 -5.035 8.917 -3.112 1.00 1.11 C ATOM 1610 CD1 TYR A 99 -6.335 8.439 -2.992 1.00 1.77 C ATOM 1611 CD2 TYR A 99 -4.853 10.286 -3.235 1.00 1.50 C ATOM 1612 CE1 TYR A 99 -7.414 9.296 -2.997 1.00 2.60 C ATOM 1613 CE2 TYR A 99 -5.929 11.150 -3.240 1.00 2.26 C ATOM 1614 CZ TYR A 99 -7.206 10.649 -3.122 1.00 2.77 C ATOM 1615 OH TYR A 99 -8.282 11.506 -3.125 1.00 3.67 O ATOM 0 H TYR A 99 -5.134 5.766 -2.836 1.00 0.40 H new ATOM 0 HA TYR A 99 -4.143 7.332 -5.113 1.00 0.53 H new ATOM 0 HB2 TYR A 99 -3.760 7.522 -2.116 1.00 0.79 H new ATOM 0 HB3 TYR A 99 -2.936 8.550 -3.271 1.00 0.79 H new ATOM 0 HD1 TYR A 99 -6.502 7.377 -2.893 1.00 1.77 H new ATOM 0 HD2 TYR A 99 -3.853 10.683 -3.328 1.00 1.50 H new ATOM 0 HE1 TYR A 99 -8.417 8.907 -2.903 1.00 2.60 H new ATOM 0 HE2 TYR A 99 -5.770 12.214 -3.336 1.00 2.26 H new ATOM 0 HH TYR A 99 -9.005 11.125 -2.584 1.00 3.67 H new ATOM 1625 N PHE A 100 -1.679 6.691 -5.014 1.00 0.72 N ATOM 1626 CA PHE A 100 -0.409 6.029 -5.271 1.00 0.91 C ATOM 1627 C PHE A 100 0.712 7.057 -5.421 1.00 1.25 C ATOM 1628 O PHE A 100 0.916 7.603 -6.508 1.00 1.90 O ATOM 1629 CB PHE A 100 -0.520 5.200 -6.554 1.00 1.20 C ATOM 1630 CG PHE A 100 0.628 4.261 -6.802 1.00 1.73 C ATOM 1631 CD1 PHE A 100 1.820 4.716 -7.347 1.00 2.22 C ATOM 1632 CD2 PHE A 100 0.506 2.918 -6.503 1.00 2.19 C ATOM 1633 CE1 PHE A 100 2.867 3.846 -7.584 1.00 2.83 C ATOM 1634 CE2 PHE A 100 1.546 2.046 -6.737 1.00 2.91 C ATOM 1635 CZ PHE A 100 2.729 2.508 -7.277 1.00 3.12 C ATOM 0 H PHE A 100 -1.776 7.606 -5.453 1.00 0.72 H new ATOM 0 HA PHE A 100 -0.174 5.378 -4.429 1.00 0.91 H new ATOM 0 HB2 PHE A 100 -1.443 4.621 -6.516 1.00 1.20 H new ATOM 0 HB3 PHE A 100 -0.605 5.879 -7.402 1.00 1.20 H new ATOM 0 HD1 PHE A 100 1.931 5.763 -7.589 1.00 2.22 H new ATOM 0 HD2 PHE A 100 -0.416 2.547 -6.081 1.00 2.19 H new ATOM 0 HE1 PHE A 100 3.790 4.212 -8.008 1.00 2.83 H new ATOM 0 HE2 PHE A 100 1.436 0.999 -6.497 1.00 2.91 H new ATOM 0 HZ PHE A 100 3.545 1.824 -7.459 1.00 3.12 H new ATOM 1645 N LYS A 101 1.407 7.355 -4.333 1.00 1.07 N ATOM 1646 CA LYS A 101 2.546 8.265 -4.393 1.00 1.43 C ATOM 1647 C LYS A 101 3.552 7.975 -3.286 1.00 1.37 C ATOM 1648 O LYS A 101 3.169 7.731 -2.141 1.00 1.55 O ATOM 1649 CB LYS A 101 2.071 9.716 -4.295 1.00 2.06 C ATOM 1650 CG LYS A 101 2.190 10.498 -5.593 1.00 2.92 C ATOM 1651 CD LYS A 101 3.627 10.908 -5.868 1.00 3.76 C ATOM 1652 CE LYS A 101 3.764 11.624 -7.202 1.00 4.58 C ATOM 1653 NZ LYS A 101 2.985 12.891 -7.250 1.00 5.15 N ATOM 0 H LYS A 101 1.206 6.984 -3.404 1.00 1.07 H new ATOM 0 HA LYS A 101 3.042 8.110 -5.351 1.00 1.43 H new ATOM 0 HB2 LYS A 101 1.030 9.725 -3.972 1.00 2.06 H new ATOM 0 HB3 LYS A 101 2.648 10.225 -3.523 1.00 2.06 H new ATOM 0 HG2 LYS A 101 1.819 9.891 -6.419 1.00 2.92 H new ATOM 0 HG3 LYS A 101 1.561 11.386 -5.542 1.00 2.92 H new ATOM 0 HD2 LYS A 101 3.979 11.559 -5.068 1.00 3.76 H new ATOM 0 HD3 LYS A 101 4.265 10.024 -5.863 1.00 3.76 H new ATOM 0 HE2 LYS A 101 4.816 11.840 -7.388 1.00 4.58 H new ATOM 0 HE3 LYS A 101 3.428 10.964 -8.002 1.00 4.58 H new ATOM 0 HZ1 LYS A 101 3.203 13.400 -8.130 1.00 5.15 H new ATOM 0 HZ2 LYS A 101 1.968 12.675 -7.218 1.00 5.15 H new ATOM 0 HZ3 LYS A 101 3.238 13.485 -6.435 1.00 5.15 H new ATOM 1667 N MET A 102 4.835 7.994 -3.626 1.00 1.76 N ATOM 1668 CA MET A 102 5.868 8.003 -2.603 1.00 2.21 C ATOM 1669 C MET A 102 6.372 9.430 -2.446 1.00 2.42 C ATOM 1670 O MET A 102 7.397 9.821 -3.003 1.00 2.62 O ATOM 1671 CB MET A 102 7.024 7.059 -2.978 1.00 2.82 C ATOM 1672 CG MET A 102 7.589 7.297 -4.373 1.00 3.61 C ATOM 1673 SD MET A 102 9.082 6.343 -4.712 1.00 4.57 S ATOM 1674 CE MET A 102 9.466 6.913 -6.366 1.00 5.14 C ATOM 0 H MET A 102 5.179 8.003 -4.586 1.00 1.76 H new ATOM 0 HA MET A 102 5.453 7.648 -1.660 1.00 2.21 H new ATOM 0 HB2 MET A 102 7.825 7.174 -2.248 1.00 2.82 H new ATOM 0 HB3 MET A 102 6.675 6.029 -2.909 1.00 2.82 H new ATOM 0 HG2 MET A 102 6.829 7.045 -5.113 1.00 3.61 H new ATOM 0 HG3 MET A 102 7.810 8.358 -4.492 1.00 3.61 H new ATOM 0 HE1 MET A 102 10.368 6.415 -6.722 1.00 5.14 H new ATOM 0 HE2 MET A 102 8.636 6.680 -7.033 1.00 5.14 H new ATOM 0 HE3 MET A 102 9.628 7.991 -6.351 1.00 5.14 H new ATOM 1684 N ASP A 103 5.637 10.210 -1.681 1.00 2.92 N ATOM 1685 CA ASP A 103 5.946 11.620 -1.527 1.00 3.46 C ATOM 1686 C ASP A 103 6.064 11.988 -0.055 1.00 3.62 C ATOM 1687 O ASP A 103 6.119 11.117 0.815 1.00 3.77 O ATOM 1688 CB ASP A 103 4.876 12.466 -2.216 1.00 4.39 C ATOM 1689 CG ASP A 103 5.406 13.803 -2.700 1.00 5.03 C ATOM 1690 OD1 ASP A 103 5.697 13.929 -3.906 1.00 5.64 O ATOM 1691 OD2 ASP A 103 5.535 14.732 -1.881 1.00 5.25 O ATOM 0 H ASP A 103 4.822 9.894 -1.156 1.00 2.92 H new ATOM 0 HA ASP A 103 6.907 11.822 -1.999 1.00 3.46 H new ATOM 0 HB2 ASP A 103 4.471 11.912 -3.063 1.00 4.39 H new ATOM 0 HB3 ASP A 103 4.052 12.636 -1.523 1.00 4.39 H new ATOM 1696 N GLU A 104 6.117 13.281 0.203 1.00 4.02 N ATOM 1697 CA GLU A 104 6.048 13.821 1.537 1.00 4.43 C ATOM 1698 C GLU A 104 4.699 14.513 1.728 1.00 4.28 C ATOM 1699 O GLU A 104 4.247 14.740 2.850 1.00 4.73 O ATOM 1700 CB GLU A 104 7.187 14.812 1.738 1.00 4.95 C ATOM 1701 CG GLU A 104 7.212 15.903 0.687 1.00 5.34 C ATOM 1702 CD GLU A 104 8.309 16.919 0.914 1.00 6.03 C ATOM 1703 OE1 GLU A 104 9.396 16.772 0.318 1.00 6.26 O ATOM 1704 OE2 GLU A 104 8.086 17.878 1.678 1.00 6.61 O ATOM 0 H GLU A 104 6.211 13.992 -0.523 1.00 4.02 H new ATOM 0 HA GLU A 104 6.144 13.021 2.271 1.00 4.43 H new ATOM 0 HB2 GLU A 104 7.096 15.267 2.724 1.00 4.95 H new ATOM 0 HB3 GLU A 104 8.136 14.276 1.720 1.00 4.95 H new ATOM 0 HG2 GLU A 104 7.342 15.450 -0.296 1.00 5.34 H new ATOM 0 HG3 GLU A 104 6.249 16.413 0.678 1.00 5.34 H new ATOM 1711 N ARG A 105 4.061 14.837 0.606 1.00 3.93 N ATOM 1712 CA ARG A 105 2.767 15.515 0.601 1.00 3.96 C ATOM 1713 C ARG A 105 1.662 14.540 0.176 1.00 3.41 C ATOM 1714 O ARG A 105 1.968 13.418 -0.234 1.00 3.35 O ATOM 1715 CB ARG A 105 2.825 16.719 -0.354 1.00 4.49 C ATOM 1716 CG ARG A 105 3.001 16.331 -1.814 1.00 4.98 C ATOM 1717 CD ARG A 105 3.208 17.545 -2.702 1.00 5.81 C ATOM 1718 NE ARG A 105 2.018 18.392 -2.772 1.00 6.29 N ATOM 1719 CZ ARG A 105 2.052 19.695 -3.043 1.00 7.10 C ATOM 1720 NH1 ARG A 105 3.210 20.301 -3.264 1.00 7.50 N ATOM 1721 NH2 ARG A 105 0.924 20.388 -3.100 1.00 7.74 N ATOM 0 H ARG A 105 4.426 14.637 -0.325 1.00 3.93 H new ATOM 0 HA ARG A 105 2.539 15.871 1.606 1.00 3.96 H new ATOM 0 HB2 ARG A 105 1.908 17.300 -0.249 1.00 4.49 H new ATOM 0 HB3 ARG A 105 3.649 17.368 -0.057 1.00 4.49 H new ATOM 0 HG2 ARG A 105 3.855 15.661 -1.911 1.00 4.98 H new ATOM 0 HG3 ARG A 105 2.123 15.780 -2.151 1.00 4.98 H new ATOM 0 HD2 ARG A 105 4.046 18.130 -2.323 1.00 5.81 H new ATOM 0 HD3 ARG A 105 3.477 17.216 -3.706 1.00 5.81 H new ATOM 0 HE ARG A 105 1.110 17.960 -2.604 1.00 6.29 H new ATOM 0 HH11 ARG A 105 4.079 19.769 -3.227 1.00 7.50 H new ATOM 0 HH12 ARG A 105 3.232 21.299 -3.471 1.00 7.50 H new ATOM 0 HH21 ARG A 105 0.031 19.923 -2.936 1.00 7.74 H new ATOM 0 HH22 ARG A 105 0.949 21.386 -3.308 1.00 7.74 H new ATOM 1735 N PRO A 106 0.370 14.929 0.295 1.00 3.33 N ATOM 1736 CA PRO A 106 -0.758 14.102 -0.162 1.00 3.10 C ATOM 1737 C PRO A 106 -0.534 13.492 -1.547 1.00 2.43 C ATOM 1738 O PRO A 106 -0.003 14.145 -2.450 1.00 2.29 O ATOM 1739 CB PRO A 106 -1.915 15.095 -0.197 1.00 3.53 C ATOM 1740 CG PRO A 106 -1.604 16.048 0.900 1.00 4.00 C ATOM 1741 CD PRO A 106 -0.104 16.184 0.919 1.00 3.83 C ATOM 0 HA PRO A 106 -0.921 13.243 0.489 1.00 3.10 H new ATOM 0 HB2 PRO A 106 -1.977 15.602 -1.160 1.00 3.53 H new ATOM 0 HB3 PRO A 106 -2.872 14.599 -0.035 1.00 3.53 H new ATOM 0 HG2 PRO A 106 -2.081 17.012 0.726 1.00 4.00 H new ATOM 0 HG3 PRO A 106 -1.974 15.677 1.856 1.00 4.00 H new ATOM 0 HD2 PRO A 106 0.226 17.059 0.359 1.00 3.83 H new ATOM 0 HD3 PRO A 106 0.275 16.294 1.935 1.00 3.83 H new ATOM 1749 N PRO A 107 -0.939 12.224 -1.721 1.00 2.31 N ATOM 1750 CA PRO A 107 -0.724 11.473 -2.957 1.00 1.85 C ATOM 1751 C PRO A 107 -1.808 11.730 -4.003 1.00 1.51 C ATOM 1752 O PRO A 107 -2.706 12.549 -3.797 1.00 1.80 O ATOM 1753 CB PRO A 107 -0.779 10.028 -2.468 1.00 2.23 C ATOM 1754 CG PRO A 107 -1.748 10.051 -1.337 1.00 2.91 C ATOM 1755 CD PRO A 107 -1.649 11.418 -0.712 1.00 2.93 C ATOM 0 HA PRO A 107 0.204 11.748 -3.458 1.00 1.85 H new ATOM 0 HB2 PRO A 107 -1.109 9.354 -3.259 1.00 2.23 H new ATOM 0 HB3 PRO A 107 0.202 9.682 -2.143 1.00 2.23 H new ATOM 0 HG2 PRO A 107 -2.761 9.859 -1.691 1.00 2.91 H new ATOM 0 HG3 PRO A 107 -1.512 9.274 -0.609 1.00 2.91 H new ATOM 0 HD2 PRO A 107 -2.635 11.829 -0.495 1.00 2.93 H new ATOM 0 HD3 PRO A 107 -1.102 11.387 0.230 1.00 2.93 H new ATOM 1763 N GLN A 108 -1.720 11.021 -5.123 1.00 1.09 N ATOM 1764 CA GLN A 108 -2.666 11.191 -6.219 1.00 0.94 C ATOM 1765 C GLN A 108 -3.453 9.908 -6.459 1.00 0.70 C ATOM 1766 O GLN A 108 -2.913 8.808 -6.330 1.00 0.64 O ATOM 1767 CB GLN A 108 -1.930 11.572 -7.504 1.00 1.18 C ATOM 1768 CG GLN A 108 -0.962 10.499 -7.989 1.00 1.72 C ATOM 1769 CD GLN A 108 -0.079 10.969 -9.123 1.00 2.15 C ATOM 1770 OE1 GLN A 108 -0.455 11.840 -9.905 1.00 2.57 O ATOM 1771 NE2 GLN A 108 1.097 10.373 -9.235 1.00 2.71 N ATOM 0 H GLN A 108 -1.000 10.320 -5.296 1.00 1.09 H new ATOM 0 HA GLN A 108 -3.356 11.988 -5.943 1.00 0.94 H new ATOM 0 HB2 GLN A 108 -2.661 11.772 -8.287 1.00 1.18 H new ATOM 0 HB3 GLN A 108 -1.380 12.498 -7.338 1.00 1.18 H new ATOM 0 HG2 GLN A 108 -0.335 10.180 -7.156 1.00 1.72 H new ATOM 0 HG3 GLN A 108 -1.529 9.627 -8.315 1.00 1.72 H new ATOM 0 HE21 GLN A 108 1.371 9.655 -8.564 1.00 2.71 H new ATOM 0 HE22 GLN A 108 1.730 10.632 -9.992 1.00 2.71 H new ATOM 1780 N PRO A 109 -4.747 10.039 -6.784 1.00 0.68 N ATOM 1781 CA PRO A 109 -5.584 8.908 -7.195 1.00 0.55 C ATOM 1782 C PRO A 109 -5.019 8.214 -8.430 1.00 0.56 C ATOM 1783 O PRO A 109 -4.936 8.819 -9.501 1.00 0.80 O ATOM 1784 CB PRO A 109 -6.921 9.564 -7.537 1.00 0.65 C ATOM 1785 CG PRO A 109 -6.930 10.835 -6.768 1.00 0.82 C ATOM 1786 CD PRO A 109 -5.506 11.302 -6.758 1.00 0.91 C ATOM 0 HA PRO A 109 -5.652 8.143 -6.422 1.00 0.55 H new ATOM 0 HB2 PRO A 109 -7.008 9.749 -8.608 1.00 0.65 H new ATOM 0 HB3 PRO A 109 -7.758 8.925 -7.255 1.00 0.65 H new ATOM 0 HG2 PRO A 109 -7.582 11.573 -7.235 1.00 0.82 H new ATOM 0 HG3 PRO A 109 -7.300 10.679 -5.755 1.00 0.82 H new ATOM 0 HD2 PRO A 109 -5.280 11.928 -7.621 1.00 0.91 H new ATOM 0 HD3 PRO A 109 -5.280 11.891 -5.869 1.00 0.91 H new ATOM 1794 N LEU A 110 -4.617 6.960 -8.280 1.00 0.49 N ATOM 1795 CA LEU A 110 -4.025 6.225 -9.390 1.00 0.61 C ATOM 1796 C LEU A 110 -4.502 4.779 -9.411 1.00 0.51 C ATOM 1797 O LEU A 110 -4.108 3.993 -10.274 1.00 0.62 O ATOM 1798 CB LEU A 110 -2.503 6.269 -9.288 1.00 0.83 C ATOM 1799 CG LEU A 110 -1.738 5.788 -10.527 1.00 1.22 C ATOM 1800 CD1 LEU A 110 -2.044 6.670 -11.727 1.00 1.89 C ATOM 1801 CD2 LEU A 110 -0.242 5.766 -10.255 1.00 1.61 C ATOM 0 H LEU A 110 -4.689 6.434 -7.409 1.00 0.49 H new ATOM 0 HA LEU A 110 -4.342 6.699 -10.319 1.00 0.61 H new ATOM 0 HB2 LEU A 110 -2.201 7.294 -9.073 1.00 0.83 H new ATOM 0 HB3 LEU A 110 -2.197 5.661 -8.436 1.00 0.83 H new ATOM 0 HG LEU A 110 -2.065 4.774 -10.755 1.00 1.22 H new ATOM 0 HD11 LEU A 110 -1.490 6.310 -12.594 1.00 1.89 H new ATOM 0 HD12 LEU A 110 -3.113 6.637 -11.940 1.00 1.89 H new ATOM 0 HD13 LEU A 110 -1.749 7.696 -11.509 1.00 1.89 H new ATOM 0 HD21 LEU A 110 0.285 5.422 -11.145 1.00 1.61 H new ATOM 0 HD22 LEU A 110 0.096 6.770 -9.999 1.00 1.61 H new ATOM 0 HD23 LEU A 110 -0.033 5.090 -9.426 1.00 1.61 H new ATOM 1813 N ASN A 111 -5.360 4.433 -8.472 1.00 0.42 N ATOM 1814 CA ASN A 111 -5.923 3.105 -8.402 1.00 0.48 C ATOM 1815 C ASN A 111 -7.323 3.288 -7.930 1.00 0.42 C ATOM 1816 O ASN A 111 -7.665 4.372 -7.486 1.00 0.50 O ATOM 1817 CB ASN A 111 -5.139 2.176 -7.459 1.00 0.60 C ATOM 1818 CG ASN A 111 -3.894 1.590 -8.102 1.00 1.17 C ATOM 1819 OD1 ASN A 111 -3.961 0.590 -8.813 1.00 1.86 O ATOM 1820 ND2 ASN A 111 -2.745 2.191 -7.832 1.00 1.75 N ATOM 0 H ASN A 111 -5.684 5.064 -7.739 1.00 0.42 H new ATOM 0 HA ASN A 111 -5.878 2.620 -9.377 1.00 0.48 H new ATOM 0 HB2 ASN A 111 -4.853 2.732 -6.566 1.00 0.60 H new ATOM 0 HB3 ASN A 111 -5.790 1.364 -7.134 1.00 0.60 H new ATOM 0 HD21 ASN A 111 -1.875 1.825 -8.219 1.00 1.75 H new ATOM 0 HD22 ASN A 111 -2.730 3.019 -7.237 1.00 1.75 H new ATOM 1827 N LYS A 112 -8.159 2.304 -8.057 1.00 0.59 N ATOM 1828 CA LYS A 112 -9.487 2.463 -7.583 1.00 0.60 C ATOM 1829 C LYS A 112 -10.026 1.200 -6.987 1.00 0.72 C ATOM 1830 O LYS A 112 -9.909 0.111 -7.553 1.00 0.84 O ATOM 1831 CB LYS A 112 -10.396 2.940 -8.699 1.00 0.72 C ATOM 1832 CG LYS A 112 -10.402 2.067 -9.956 1.00 1.33 C ATOM 1833 CD LYS A 112 -9.200 2.327 -10.859 1.00 1.68 C ATOM 1834 CE LYS A 112 -9.254 3.705 -11.503 1.00 2.31 C ATOM 1835 NZ LYS A 112 -10.399 3.839 -12.441 1.00 2.93 N ATOM 0 H LYS A 112 -7.946 1.400 -8.478 1.00 0.59 H new ATOM 0 HA LYS A 112 -9.459 3.215 -6.795 1.00 0.60 H new ATOM 0 HB2 LYS A 112 -11.414 3.002 -8.315 1.00 0.72 H new ATOM 0 HB3 LYS A 112 -10.100 3.951 -8.980 1.00 0.72 H new ATOM 0 HG2 LYS A 112 -10.412 1.017 -9.664 1.00 1.33 H new ATOM 0 HG3 LYS A 112 -11.319 2.250 -10.516 1.00 1.33 H new ATOM 0 HD2 LYS A 112 -8.283 2.235 -10.277 1.00 1.68 H new ATOM 0 HD3 LYS A 112 -9.161 1.565 -11.637 1.00 1.68 H new ATOM 0 HE2 LYS A 112 -9.332 4.465 -10.726 1.00 2.31 H new ATOM 0 HE3 LYS A 112 -8.323 3.891 -12.039 1.00 2.31 H new ATOM 0 HZ1 LYS A 112 -10.269 4.687 -13.029 1.00 2.93 H new ATOM 0 HZ2 LYS A 112 -10.448 2.999 -13.052 1.00 2.93 H new ATOM 0 HZ3 LYS A 112 -11.283 3.925 -11.900 1.00 2.93 H new ATOM 1849 N TRP A 113 -10.614 1.372 -5.834 1.00 0.77 N ATOM 1850 CA TRP A 113 -11.306 0.313 -5.167 1.00 0.97 C ATOM 1851 C TRP A 113 -12.676 0.142 -5.768 1.00 1.02 C ATOM 1852 O TRP A 113 -13.094 0.884 -6.661 1.00 1.12 O ATOM 1853 CB TRP A 113 -11.462 0.597 -3.685 1.00 1.07 C ATOM 1854 CG TRP A 113 -11.984 1.980 -3.409 1.00 0.99 C ATOM 1855 CD1 TRP A 113 -11.243 3.079 -3.092 1.00 0.86 C ATOM 1856 CD2 TRP A 113 -13.352 2.418 -3.449 1.00 1.35 C ATOM 1857 NE1 TRP A 113 -12.059 4.168 -2.948 1.00 1.06 N ATOM 1858 CE2 TRP A 113 -13.356 3.790 -3.154 1.00 1.36 C ATOM 1859 CE3 TRP A 113 -14.571 1.785 -3.706 1.00 1.82 C ATOM 1860 CZ2 TRP A 113 -14.527 4.542 -3.114 1.00 1.79 C ATOM 1861 CZ3 TRP A 113 -15.733 2.529 -3.665 1.00 2.23 C ATOM 1862 CH2 TRP A 113 -15.704 3.896 -3.371 1.00 2.20 C ATOM 0 H TRP A 113 -10.624 2.259 -5.331 1.00 0.77 H new ATOM 0 HA TRP A 113 -10.716 -0.595 -5.291 1.00 0.97 H new ATOM 0 HB2 TRP A 113 -12.140 -0.136 -3.249 1.00 1.07 H new ATOM 0 HB3 TRP A 113 -10.498 0.472 -3.192 1.00 1.07 H new ATOM 0 HD1 TRP A 113 -10.170 3.089 -2.972 1.00 0.86 H new ATOM 0 HE1 TRP A 113 -11.748 5.113 -2.722 1.00 1.06 H new ATOM 0 HE3 TRP A 113 -14.603 0.730 -3.933 1.00 1.82 H new ATOM 0 HZ2 TRP A 113 -14.506 5.598 -2.888 1.00 1.79 H new ATOM 0 HZ3 TRP A 113 -16.679 2.048 -3.863 1.00 2.23 H new ATOM 0 HH2 TRP A 113 -16.630 4.452 -3.347 1.00 2.20 H new ATOM 1873 N ARG A 114 -13.367 -0.830 -5.248 1.00 1.34 N ATOM 1874 CA ARG A 114 -14.683 -1.169 -5.694 1.00 1.50 C ATOM 1875 C ARG A 114 -15.544 -1.452 -4.479 1.00 1.82 C ATOM 1876 O ARG A 114 -15.048 -1.416 -3.355 1.00 2.41 O ATOM 1877 CB ARG A 114 -14.570 -2.405 -6.544 1.00 1.80 C ATOM 1878 CG ARG A 114 -13.824 -2.206 -7.853 1.00 2.76 C ATOM 1879 CD ARG A 114 -13.676 -3.517 -8.605 1.00 3.56 C ATOM 1880 NE ARG A 114 -12.675 -3.432 -9.661 1.00 4.38 N ATOM 1881 CZ ARG A 114 -12.135 -4.487 -10.264 1.00 5.34 C ATOM 1882 NH1 ARG A 114 -12.545 -5.715 -9.965 1.00 5.63 N ATOM 1883 NH2 ARG A 114 -11.190 -4.311 -11.175 1.00 6.29 N ATOM 0 H ARG A 114 -13.024 -1.419 -4.489 1.00 1.34 H new ATOM 0 HA ARG A 114 -15.131 -0.359 -6.270 1.00 1.50 H new ATOM 0 HB2 ARG A 114 -14.066 -3.181 -5.968 1.00 1.80 H new ATOM 0 HB3 ARG A 114 -15.573 -2.772 -6.764 1.00 1.80 H new ATOM 0 HG2 ARG A 114 -14.358 -1.486 -8.473 1.00 2.76 H new ATOM 0 HG3 ARG A 114 -12.839 -1.785 -7.653 1.00 2.76 H new ATOM 0 HD2 ARG A 114 -13.399 -4.306 -7.906 1.00 3.56 H new ATOM 0 HD3 ARG A 114 -14.636 -3.797 -9.038 1.00 3.56 H new ATOM 0 HE ARG A 114 -12.369 -2.505 -9.956 1.00 4.38 H new ATOM 0 HH11 ARG A 114 -13.278 -5.853 -9.269 1.00 5.63 H new ATOM 0 HH12 ARG A 114 -12.127 -6.520 -10.431 1.00 5.63 H new ATOM 0 HH21 ARG A 114 -10.879 -3.369 -11.412 1.00 6.29 H new ATOM 0 HH22 ARG A 114 -10.773 -5.118 -11.640 1.00 6.29 H new ATOM 1897 N SER A 115 -16.809 -1.754 -4.699 1.00 2.02 N ATOM 1898 CA SER A 115 -17.709 -2.090 -3.609 1.00 2.76 C ATOM 1899 C SER A 115 -19.052 -2.563 -4.149 1.00 3.19 C ATOM 1900 O SER A 115 -19.186 -3.773 -4.417 1.00 3.60 O ATOM 1901 CB SER A 115 -17.881 -0.894 -2.664 1.00 3.33 C ATOM 1902 OG SER A 115 -18.215 0.289 -3.376 1.00 4.01 O ATOM 1903 OXT SER A 115 -19.964 -1.727 -4.313 1.00 3.62 O ATOM 0 H SER A 115 -17.239 -1.774 -5.624 1.00 2.02 H new ATOM 0 HA SER A 115 -17.271 -2.909 -3.038 1.00 2.76 H new ATOM 0 HB2 SER A 115 -18.661 -1.114 -1.936 1.00 3.33 H new ATOM 0 HB3 SER A 115 -16.959 -0.735 -2.105 1.00 3.33 H new ATOM 0 HG SER A 115 -18.950 0.101 -3.996 1.00 4.01 H new