USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 545 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 90 SER OG : rot -104:sc= 0.972 USER MOD Set 1.2: A 93 THR OG1 : rot -166:sc= 0.849 USER MOD Set 2.1: A 34 GLN : amide:sc= 0.66 K(o=1.3,f=0.072) USER MOD Set 2.2: A 68 THR OG1 : rot -140:sc= 0.594 USER MOD Set 3.1: A 28 THR OG1 : rot 180:sc= 0.538 USER MOD Set 3.2: A 71 LYS NZ :NH3+ -156:sc= 0.566 (180deg=0) USER MOD Set 4.1: A 22 LYS NZ :NH3+ 177:sc= 0.963 (180deg=0) USER MOD Set 4.2: A 77 THR OG1 : rot 177:sc= 0.848 USER MOD Single : A 5 LYS NZ :NH3+ 162:sc= 1.97 (180deg=1.5) USER MOD Single : A 7 GLN : amide:sc= 1.11 K(o=1.1,f=-0.16) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0.384 K(o=0.38,f=-3.8!) USER MOD Single : A 15 LYS NZ :NH3+ 174:sc= 0.797 (180deg=0.762) USER MOD Single : A 18 LYS NZ :NH3+ -124:sc= 0.97 (180deg=0.0527) USER MOD Single : A 24 LYS NZ :NH3+ -169:sc= -0.0201 (180deg=-0.121) USER MOD Single : A 25 LYS NZ :NH3+ 168:sc=-0.00405 (180deg=-0.0823) USER MOD Single : A 27 GLN : amide:sc= -0.535 K(o=-0.53,f=-4.4!) USER MOD Single : A 67 HIS : no HD1:sc= 0.612 K(o=0.61,f=-2.5!) USER MOD Single : A 84 ASN : amide:sc= 0.83 K(o=0.83,f=-0.03) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -140:sc= 0.201 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 0.916 K(o=0.92,f=0) USER MOD ----------------------------------------------------------------- ATOM 15 N VAL A 2 1.748 -5.145 -0.248 1.00 0.00 N ATOM 16 CA VAL A 2 2.806 -5.880 -0.959 1.00 0.00 C ATOM 17 C VAL A 2 2.652 -5.789 -2.465 1.00 0.00 C ATOM 18 O VAL A 2 1.542 -5.752 -2.977 1.00 0.00 O ATOM 19 CB VAL A 2 2.687 -7.358 -0.590 1.00 0.00 C ATOM 20 CG1 VAL A 2 3.293 -8.426 -1.507 1.00 0.00 C ATOM 21 CG2 VAL A 2 3.244 -7.614 0.797 1.00 0.00 C ATOM 0 HA VAL A 2 3.764 -5.445 -0.673 1.00 0.00 H new ATOM 0 HB VAL A 2 1.609 -7.488 -0.686 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.111 -9.414 -1.085 1.00 0.00 H new ATOM 0 HG12 VAL A 2 2.833 -8.362 -2.493 1.00 0.00 H new ATOM 0 HG13 VAL A 2 4.367 -8.262 -1.596 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.148 -8.673 1.038 1.00 0.00 H new ATOM 0 HG22 VAL A 2 4.296 -7.329 0.825 1.00 0.00 H new ATOM 0 HG23 VAL A 2 2.689 -7.024 1.527 1.00 0.00 H new ATOM 31 N ILE A 3 3.780 -5.890 -3.161 1.00 0.00 N ATOM 32 CA ILE A 3 3.931 -6.122 -4.597 1.00 0.00 C ATOM 33 C ILE A 3 4.714 -7.448 -4.652 1.00 0.00 C ATOM 34 O ILE A 3 5.931 -7.468 -4.461 1.00 0.00 O ATOM 35 CB ILE A 3 4.678 -4.949 -5.266 1.00 0.00 C ATOM 36 CG1 ILE A 3 3.943 -3.587 -5.266 1.00 0.00 C ATOM 37 CG2 ILE A 3 4.973 -5.306 -6.729 1.00 0.00 C ATOM 38 CD1 ILE A 3 3.595 -2.937 -3.923 1.00 0.00 C ATOM 0 H ILE A 3 4.686 -5.805 -2.700 1.00 0.00 H new ATOM 0 HA ILE A 3 2.988 -6.184 -5.141 1.00 0.00 H new ATOM 0 HB ILE A 3 5.574 -4.817 -4.659 1.00 0.00 H new ATOM 0 HG12 ILE A 3 4.556 -2.881 -5.826 1.00 0.00 H new ATOM 0 HG13 ILE A 3 3.014 -3.713 -5.822 1.00 0.00 H new ATOM 0 HG21 ILE A 3 5.501 -4.480 -7.206 1.00 0.00 H new ATOM 0 HG22 ILE A 3 5.592 -6.202 -6.767 1.00 0.00 H new ATOM 0 HG23 ILE A 3 4.036 -5.490 -7.255 1.00 0.00 H new ATOM 0 HD11 ILE A 3 3.084 -1.990 -4.099 1.00 0.00 H new ATOM 0 HD12 ILE A 3 2.944 -3.601 -3.355 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.510 -2.756 -3.358 1.00 0.00 H new ATOM 50 N ILE A 4 3.996 -8.576 -4.735 1.00 0.00 N ATOM 51 CA ILE A 4 4.515 -9.933 -4.549 1.00 0.00 C ATOM 52 C ILE A 4 5.527 -10.307 -5.657 1.00 0.00 C ATOM 53 O ILE A 4 5.395 -9.872 -6.810 1.00 0.00 O ATOM 54 CB ILE A 4 3.298 -10.896 -4.505 1.00 0.00 C ATOM 55 CG1 ILE A 4 3.275 -11.996 -3.438 1.00 0.00 C ATOM 56 CG2 ILE A 4 3.051 -11.574 -5.842 1.00 0.00 C ATOM 57 CD1 ILE A 4 4.514 -12.892 -3.333 1.00 0.00 C ATOM 0 H ILE A 4 2.997 -8.565 -4.942 1.00 0.00 H new ATOM 0 HA ILE A 4 5.070 -10.007 -3.614 1.00 0.00 H new ATOM 0 HB ILE A 4 2.513 -10.192 -4.230 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.116 -11.524 -2.469 1.00 0.00 H new ATOM 0 HG13 ILE A 4 2.411 -12.633 -3.628 1.00 0.00 H new ATOM 0 HG21 ILE A 4 2.190 -12.237 -5.760 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.856 -10.818 -6.603 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.930 -12.154 -6.124 1.00 0.00 H new ATOM 0 HD11 ILE A 4 4.366 -13.626 -2.541 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.672 -13.408 -4.280 1.00 0.00 H new ATOM 0 HD13 ILE A 4 5.387 -12.281 -3.103 1.00 0.00 H new ATOM 69 N LYS A 5 6.500 -11.169 -5.333 1.00 0.00 N ATOM 70 CA LYS A 5 7.561 -11.631 -6.253 1.00 0.00 C ATOM 71 C LYS A 5 7.959 -13.092 -6.044 1.00 0.00 C ATOM 72 O LYS A 5 7.774 -13.623 -4.941 1.00 0.00 O ATOM 73 CB LYS A 5 8.767 -10.706 -6.084 1.00 0.00 C ATOM 74 CG LYS A 5 8.422 -9.310 -6.601 1.00 0.00 C ATOM 75 CD LYS A 5 9.644 -8.512 -7.009 1.00 0.00 C ATOM 76 CE LYS A 5 9.102 -7.147 -7.420 1.00 0.00 C ATOM 77 NZ LYS A 5 10.154 -6.118 -7.602 1.00 0.00 N ATOM 0 H LYS A 5 6.578 -11.578 -4.402 1.00 0.00 H new ATOM 0 HA LYS A 5 7.173 -11.586 -7.271 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.054 -10.655 -5.034 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.623 -11.105 -6.629 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.752 -9.400 -7.456 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.881 -8.765 -5.827 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.352 -8.424 -6.185 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.172 -8.992 -7.833 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.545 -7.253 -8.351 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.397 -6.803 -6.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.773 -5.327 -8.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.462 -5.768 -6.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.965 -6.535 -8.101 1.00 0.00 H new ATOM 91 N PRO A 6 8.482 -13.753 -7.089 1.00 0.00 N ATOM 92 CA PRO A 6 8.770 -15.182 -7.062 1.00 0.00 C ATOM 93 C PRO A 6 10.096 -15.513 -6.362 1.00 0.00 C ATOM 94 O PRO A 6 11.025 -14.705 -6.352 1.00 0.00 O ATOM 95 CB PRO A 6 8.791 -15.575 -8.537 1.00 0.00 C ATOM 96 CG PRO A 6 9.256 -14.331 -9.279 1.00 0.00 C ATOM 97 CD PRO A 6 8.724 -13.197 -8.419 1.00 0.00 C ATOM 0 HA PRO A 6 8.029 -15.735 -6.485 1.00 0.00 H new ATOM 0 HB2 PRO A 6 9.467 -16.412 -8.711 1.00 0.00 H new ATOM 0 HB3 PRO A 6 7.803 -15.888 -8.875 1.00 0.00 H new ATOM 0 HG2 PRO A 6 10.342 -14.296 -9.366 1.00 0.00 H new ATOM 0 HG3 PRO A 6 8.854 -14.292 -10.291 1.00 0.00 H new ATOM 0 HD2 PRO A 6 9.442 -12.379 -8.371 1.00 0.00 H new ATOM 0 HD3 PRO A 6 7.805 -12.790 -8.841 1.00 0.00 H new ATOM 105 N GLN A 7 10.208 -16.727 -5.808 1.00 0.00 N ATOM 106 CA GLN A 7 11.432 -17.174 -5.117 1.00 0.00 C ATOM 107 C GLN A 7 12.569 -17.635 -6.060 1.00 0.00 C ATOM 108 O GLN A 7 13.707 -17.774 -5.615 1.00 0.00 O ATOM 109 CB GLN A 7 11.089 -18.231 -4.048 1.00 0.00 C ATOM 110 CG GLN A 7 10.482 -19.542 -4.586 1.00 0.00 C ATOM 111 CD GLN A 7 10.399 -20.625 -3.502 1.00 0.00 C ATOM 112 OE1 GLN A 7 11.337 -20.895 -2.768 1.00 0.00 O ATOM 113 NE2 GLN A 7 9.276 -21.295 -3.344 1.00 0.00 N ATOM 0 H GLN A 7 9.463 -17.423 -5.823 1.00 0.00 H new ATOM 0 HA GLN A 7 11.842 -16.295 -4.620 1.00 0.00 H new ATOM 0 HB2 GLN A 7 11.997 -18.471 -3.494 1.00 0.00 H new ATOM 0 HB3 GLN A 7 10.389 -17.791 -3.338 1.00 0.00 H new ATOM 0 HG2 GLN A 7 9.484 -19.345 -4.979 1.00 0.00 H new ATOM 0 HG3 GLN A 7 11.086 -19.907 -5.417 1.00 0.00 H new ATOM 0 HE21 GLN A 7 8.474 -21.094 -3.941 1.00 0.00 H new ATOM 0 HE22 GLN A 7 9.209 -22.015 -2.625 1.00 0.00 H new ATOM 122 N VAL A 8 12.285 -17.845 -7.351 1.00 0.00 N ATOM 123 CA VAL A 8 13.255 -18.212 -8.407 1.00 0.00 C ATOM 124 C VAL A 8 12.900 -17.510 -9.722 1.00 0.00 C ATOM 125 O VAL A 8 11.802 -16.973 -9.876 1.00 0.00 O ATOM 126 CB VAL A 8 13.350 -19.744 -8.632 1.00 0.00 C ATOM 127 CG1 VAL A 8 13.779 -20.489 -7.361 1.00 0.00 C ATOM 128 CG2 VAL A 8 12.040 -20.354 -9.159 1.00 0.00 C ATOM 0 H VAL A 8 11.334 -17.762 -7.711 1.00 0.00 H new ATOM 0 HA VAL A 8 14.234 -17.878 -8.063 1.00 0.00 H new ATOM 0 HB VAL A 8 14.117 -19.872 -9.396 1.00 0.00 H new ATOM 0 HG11 VAL A 8 13.832 -21.558 -7.566 1.00 0.00 H new ATOM 0 HG12 VAL A 8 14.758 -20.132 -7.043 1.00 0.00 H new ATOM 0 HG13 VAL A 8 13.052 -20.307 -6.570 1.00 0.00 H new ATOM 0 HG21 VAL A 8 12.168 -21.428 -9.297 1.00 0.00 H new ATOM 0 HG22 VAL A 8 11.240 -20.173 -8.441 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.782 -19.894 -10.113 1.00 0.00 H new ATOM 138 N SER A 9 13.815 -17.537 -10.694 1.00 0.00 N ATOM 139 CA SER A 9 13.580 -17.042 -12.064 1.00 0.00 C ATOM 140 C SER A 9 13.179 -18.176 -13.031 1.00 0.00 C ATOM 141 O SER A 9 13.352 -19.362 -12.732 1.00 0.00 O ATOM 142 CB SER A 9 14.827 -16.304 -12.574 1.00 0.00 C ATOM 143 OG SER A 9 15.947 -17.176 -12.618 1.00 0.00 O ATOM 0 H SER A 9 14.755 -17.907 -10.555 1.00 0.00 H new ATOM 0 HA SER A 9 12.741 -16.347 -12.029 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.635 -15.901 -13.568 1.00 0.00 H new ATOM 0 HB3 SER A 9 15.045 -15.457 -11.923 1.00 0.00 H new ATOM 0 HG SER A 9 16.730 -16.687 -12.947 1.00 0.00 H new ATOM 149 N GLY A 10 12.624 -17.815 -14.191 1.00 0.00 N ATOM 150 CA GLY A 10 11.982 -18.720 -15.148 1.00 0.00 C ATOM 151 C GLY A 10 10.779 -18.046 -15.689 1.00 0.00 C ATOM 152 O GLY A 10 10.797 -16.893 -16.121 1.00 0.00 O ATOM 0 H GLY A 10 12.609 -16.844 -14.502 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.671 -18.972 -15.954 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.707 -19.655 -14.661 1.00 0.00 H new ATOM 156 N VAL A 11 9.726 -18.830 -15.705 1.00 0.00 N ATOM 157 CA VAL A 11 8.535 -18.458 -16.398 1.00 0.00 C ATOM 158 C VAL A 11 7.323 -19.028 -15.664 1.00 0.00 C ATOM 159 O VAL A 11 7.392 -20.144 -15.157 1.00 0.00 O ATOM 160 CB VAL A 11 8.703 -19.047 -17.802 1.00 0.00 C ATOM 161 CG1 VAL A 11 7.379 -19.054 -18.445 1.00 0.00 C ATOM 162 CG2 VAL A 11 9.485 -18.178 -18.777 1.00 0.00 C ATOM 0 H VAL A 11 9.680 -19.736 -15.238 1.00 0.00 H new ATOM 0 HA VAL A 11 8.376 -17.381 -16.450 1.00 0.00 H new ATOM 0 HB VAL A 11 9.201 -20.003 -17.640 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.464 -19.469 -19.449 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.693 -19.664 -17.858 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.998 -18.034 -18.505 1.00 0.00 H new ATOM 0 HG21 VAL A 11 9.549 -18.681 -19.742 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.977 -17.221 -18.900 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.489 -18.009 -18.389 1.00 0.00 H new ATOM 172 N ILE A 12 6.207 -18.300 -15.661 1.00 0.00 N ATOM 173 CA ILE A 12 4.942 -18.772 -15.060 1.00 0.00 C ATOM 174 C ILE A 12 4.384 -20.040 -15.752 1.00 0.00 C ATOM 175 O ILE A 12 4.447 -20.163 -16.976 1.00 0.00 O ATOM 176 CB ILE A 12 3.914 -17.627 -15.131 1.00 0.00 C ATOM 177 CG1 ILE A 12 4.391 -16.285 -14.550 1.00 0.00 C ATOM 178 CG2 ILE A 12 2.551 -17.983 -14.510 1.00 0.00 C ATOM 179 CD1 ILE A 12 4.609 -16.280 -13.032 1.00 0.00 C ATOM 0 H ILE A 12 6.145 -17.368 -16.072 1.00 0.00 H new ATOM 0 HA ILE A 12 5.140 -19.052 -14.025 1.00 0.00 H new ATOM 0 HB ILE A 12 3.794 -17.494 -16.206 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.325 -16.006 -15.038 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.659 -15.517 -14.800 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.878 -17.130 -14.596 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.124 -18.837 -15.036 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.685 -18.235 -13.458 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.944 -15.292 -12.716 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.673 -16.524 -12.529 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.365 -17.021 -12.771 1.00 0.00 H new ATOM 191 N VAL A 13 3.755 -20.932 -14.971 1.00 0.00 N ATOM 192 CA VAL A 13 3.173 -22.232 -15.393 1.00 0.00 C ATOM 193 C VAL A 13 1.707 -22.393 -14.969 1.00 0.00 C ATOM 194 O VAL A 13 0.920 -22.996 -15.699 1.00 0.00 O ATOM 195 CB VAL A 13 3.961 -23.411 -14.770 1.00 0.00 C ATOM 196 CG1 VAL A 13 3.475 -24.789 -15.237 1.00 0.00 C ATOM 197 CG2 VAL A 13 5.444 -23.332 -15.103 1.00 0.00 C ATOM 0 H VAL A 13 3.628 -20.764 -13.973 1.00 0.00 H new ATOM 0 HA VAL A 13 3.235 -22.242 -16.481 1.00 0.00 H new ATOM 0 HB VAL A 13 3.789 -23.312 -13.698 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.072 -25.566 -14.760 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.428 -24.917 -14.964 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.579 -24.864 -16.319 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.964 -24.175 -14.649 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.576 -23.364 -16.184 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.855 -22.400 -14.714 1.00 0.00 H new ATOM 207 N ASN A 14 1.319 -21.829 -13.822 1.00 0.00 N ATOM 208 CA ASN A 14 -0.062 -21.845 -13.322 1.00 0.00 C ATOM 209 C ASN A 14 -0.352 -20.608 -12.461 1.00 0.00 C ATOM 210 O ASN A 14 0.563 -19.990 -11.910 1.00 0.00 O ATOM 211 CB ASN A 14 -0.321 -23.143 -12.514 1.00 0.00 C ATOM 212 CG ASN A 14 -1.781 -23.563 -12.450 1.00 0.00 C ATOM 213 OD1 ASN A 14 -2.680 -22.898 -12.944 1.00 0.00 O ATOM 214 ND2 ASN A 14 -2.066 -24.682 -11.830 1.00 0.00 N ATOM 0 H ASN A 14 1.965 -21.340 -13.203 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.736 -21.822 -14.178 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.258 -23.953 -12.956 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.049 -23.004 -11.498 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.034 -24.995 -11.761 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.319 -25.240 -11.416 1.00 0.00 H new ATOM 221 N LYS A 15 -1.642 -20.306 -12.303 1.00 0.00 N ATOM 222 CA LYS A 15 -2.214 -19.186 -11.572 1.00 0.00 C ATOM 223 C LYS A 15 -3.246 -19.750 -10.592 1.00 0.00 C ATOM 224 O LYS A 15 -4.415 -19.964 -10.929 1.00 0.00 O ATOM 225 CB LYS A 15 -2.865 -18.206 -12.562 1.00 0.00 C ATOM 226 CG LYS A 15 -1.871 -17.587 -13.556 1.00 0.00 C ATOM 227 CD LYS A 15 -1.226 -16.295 -13.060 1.00 0.00 C ATOM 228 CE LYS A 15 -2.181 -15.099 -13.036 1.00 0.00 C ATOM 229 NZ LYS A 15 -2.675 -14.701 -14.384 1.00 0.00 N ATOM 0 H LYS A 15 -2.368 -20.889 -12.719 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.448 -18.641 -11.021 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.645 -18.728 -13.117 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.352 -17.407 -12.003 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.088 -18.313 -13.772 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.388 -17.387 -14.495 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.836 -16.457 -12.055 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.375 -16.056 -13.698 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.035 -15.339 -12.402 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.674 -14.249 -12.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.392 -13.954 -14.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.881 -14.345 -14.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.097 -15.526 -14.856 1.00 0.00 H new ATOM 243 N LEU A 16 -2.788 -20.021 -9.372 1.00 0.00 N ATOM 244 CA LEU A 16 -3.601 -20.615 -8.318 1.00 0.00 C ATOM 245 C LEU A 16 -4.657 -19.642 -7.799 1.00 0.00 C ATOM 246 O LEU A 16 -5.845 -19.958 -7.710 1.00 0.00 O ATOM 247 CB LEU A 16 -2.687 -21.045 -7.174 1.00 0.00 C ATOM 248 CG LEU A 16 -1.878 -22.331 -7.434 1.00 0.00 C ATOM 249 CD1 LEU A 16 -2.587 -23.433 -8.220 1.00 0.00 C ATOM 250 CD2 LEU A 16 -0.551 -22.055 -8.119 1.00 0.00 C ATOM 0 H LEU A 16 -1.828 -19.831 -9.086 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.126 -21.476 -8.732 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.992 -20.233 -6.960 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.293 -21.190 -6.280 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.732 -22.706 -6.421 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.917 -24.284 -8.338 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.481 -23.747 -7.681 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.870 -23.055 -9.202 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.022 -22.994 -8.279 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.731 -21.572 -9.080 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.053 -21.400 -7.491 1.00 0.00 H new ATOM 262 N PHE A 17 -4.195 -18.435 -7.493 1.00 0.00 N ATOM 263 CA PHE A 17 -5.031 -17.311 -7.090 1.00 0.00 C ATOM 264 C PHE A 17 -5.836 -16.744 -8.274 1.00 0.00 C ATOM 265 O PHE A 17 -5.757 -17.233 -9.407 1.00 0.00 O ATOM 266 CB PHE A 17 -4.168 -16.253 -6.384 1.00 0.00 C ATOM 267 CG PHE A 17 -3.689 -15.101 -7.252 1.00 0.00 C ATOM 268 CD1 PHE A 17 -2.678 -15.285 -8.208 1.00 0.00 C ATOM 269 CD2 PHE A 17 -4.351 -13.863 -7.179 1.00 0.00 C ATOM 270 CE1 PHE A 17 -2.382 -14.255 -9.114 1.00 0.00 C ATOM 271 CE2 PHE A 17 -4.001 -12.808 -8.034 1.00 0.00 C ATOM 272 CZ PHE A 17 -3.010 -13.005 -9.002 1.00 0.00 C ATOM 0 H PHE A 17 -3.202 -18.205 -7.519 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.777 -17.659 -6.376 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.739 -15.842 -5.552 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.296 -16.749 -5.958 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.130 -16.215 -8.246 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.140 -13.723 -6.455 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.665 -14.426 -9.904 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.493 -11.850 -7.946 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.729 -12.197 -9.661 1.00 0.00 H new ATOM 282 N LYS A 18 -6.615 -15.696 -8.012 1.00 0.00 N ATOM 283 CA LYS A 18 -7.438 -14.989 -9.007 1.00 0.00 C ATOM 284 C LYS A 18 -7.354 -13.472 -8.834 1.00 0.00 C ATOM 285 O LYS A 18 -7.412 -12.964 -7.711 1.00 0.00 O ATOM 286 CB LYS A 18 -8.896 -15.423 -8.872 1.00 0.00 C ATOM 287 CG LYS A 18 -9.131 -16.920 -9.056 1.00 0.00 C ATOM 288 CD LYS A 18 -8.941 -17.400 -10.503 1.00 0.00 C ATOM 289 CE LYS A 18 -8.808 -18.921 -10.633 1.00 0.00 C ATOM 290 NZ LYS A 18 -7.498 -19.430 -10.137 1.00 0.00 N ATOM 0 H LYS A 18 -6.697 -15.299 -7.076 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.055 -15.245 -9.995 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.259 -15.129 -7.887 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.492 -14.882 -9.606 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.448 -17.469 -8.408 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.143 -17.163 -8.732 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.788 -17.065 -11.102 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.050 -16.929 -10.919 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.613 -19.401 -10.077 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.930 -19.204 -11.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -7.027 -19.969 -10.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.897 -18.628 -9.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -7.654 -20.049 -9.316 1.00 0.00 H new ATOM 304 N ALA A 19 -7.268 -12.762 -9.955 1.00 0.00 N ATOM 305 CA ALA A 19 -7.265 -11.308 -10.047 1.00 0.00 C ATOM 306 C ALA A 19 -8.499 -10.677 -9.367 1.00 0.00 C ATOM 307 O ALA A 19 -9.612 -10.717 -9.907 1.00 0.00 O ATOM 308 CB ALA A 19 -7.131 -10.938 -11.532 1.00 0.00 C ATOM 0 H ALA A 19 -7.195 -13.209 -10.869 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.419 -10.895 -9.498 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.125 -9.853 -11.638 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.200 -11.346 -11.926 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.972 -11.352 -12.088 1.00 0.00 H new ATOM 314 N GLY A 20 -8.300 -10.136 -8.164 1.00 0.00 N ATOM 315 CA GLY A 20 -9.317 -9.454 -7.357 1.00 0.00 C ATOM 316 C GLY A 20 -9.881 -10.264 -6.175 1.00 0.00 C ATOM 317 O GLY A 20 -10.672 -9.721 -5.404 1.00 0.00 O ATOM 0 H GLY A 20 -7.389 -10.161 -7.705 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.888 -8.530 -6.969 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -10.144 -9.173 -8.009 1.00 0.00 H new ATOM 321 N ASP A 21 -9.541 -11.554 -6.032 1.00 0.00 N ATOM 322 CA ASP A 21 -10.068 -12.442 -4.983 1.00 0.00 C ATOM 323 C ASP A 21 -9.407 -12.238 -3.590 1.00 0.00 C ATOM 324 O ASP A 21 -9.004 -11.127 -3.224 1.00 0.00 O ATOM 325 CB ASP A 21 -9.978 -13.879 -5.521 1.00 0.00 C ATOM 326 CG ASP A 21 -11.031 -14.810 -4.897 1.00 0.00 C ATOM 327 OD1 ASP A 21 -12.198 -14.804 -5.355 1.00 0.00 O ATOM 328 OD2 ASP A 21 -10.684 -15.535 -3.939 1.00 0.00 O ATOM 0 H ASP A 21 -8.879 -12.019 -6.654 1.00 0.00 H new ATOM 0 HA ASP A 21 -11.109 -12.194 -4.776 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.105 -13.867 -6.604 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.983 -14.276 -5.321 1.00 0.00 H new ATOM 333 N LYS A 22 -9.320 -13.298 -2.783 1.00 0.00 N ATOM 334 CA LYS A 22 -8.809 -13.311 -1.404 1.00 0.00 C ATOM 335 C LYS A 22 -7.648 -14.302 -1.264 1.00 0.00 C ATOM 336 O LYS A 22 -7.494 -15.211 -2.086 1.00 0.00 O ATOM 337 CB LYS A 22 -9.954 -13.695 -0.446 1.00 0.00 C ATOM 338 CG LYS A 22 -11.142 -12.716 -0.466 1.00 0.00 C ATOM 339 CD LYS A 22 -10.886 -11.432 0.337 1.00 0.00 C ATOM 340 CE LYS A 22 -11.967 -10.385 0.048 1.00 0.00 C ATOM 341 NZ LYS A 22 -11.628 -9.561 -1.142 1.00 0.00 N ATOM 0 H LYS A 22 -9.620 -14.224 -3.088 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.436 -12.318 -1.152 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.313 -14.691 -0.706 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -9.561 -13.753 0.569 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.368 -12.451 -1.499 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.023 -13.217 -0.065 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.871 -11.661 1.403 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.906 -11.029 0.084 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.923 -10.883 -0.114 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.089 -9.738 0.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.405 -8.898 -1.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.755 -9.027 -0.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.487 -10.181 -1.965 1.00 0.00 H new ATOM 355 N VAL A 23 -6.863 -14.145 -0.198 1.00 0.00 N ATOM 356 CA VAL A 23 -5.765 -15.054 0.159 1.00 0.00 C ATOM 357 C VAL A 23 -5.717 -15.326 1.663 1.00 0.00 C ATOM 358 O VAL A 23 -5.869 -14.409 2.475 1.00 0.00 O ATOM 359 CB VAL A 23 -4.383 -14.554 -0.316 1.00 0.00 C ATOM 360 CG1 VAL A 23 -4.269 -14.551 -1.842 1.00 0.00 C ATOM 361 CG2 VAL A 23 -3.983 -13.155 0.174 1.00 0.00 C ATOM 0 H VAL A 23 -6.971 -13.370 0.456 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.983 -15.983 -0.367 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.700 -15.273 0.136 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.281 -14.192 -2.132 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.413 -15.563 -2.220 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.031 -13.895 -2.263 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.997 -12.901 -0.216 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.712 -12.424 -0.177 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.956 -13.145 1.264 1.00 0.00 H new ATOM 371 N LYS A 24 -5.505 -16.592 2.043 1.00 0.00 N ATOM 372 CA LYS A 24 -5.139 -17.012 3.384 1.00 0.00 C ATOM 373 C LYS A 24 -3.639 -16.705 3.579 1.00 0.00 C ATOM 374 O LYS A 24 -2.909 -16.634 2.589 1.00 0.00 O ATOM 375 CB LYS A 24 -5.524 -18.488 3.504 1.00 0.00 C ATOM 376 CG LYS A 24 -5.075 -19.093 4.824 1.00 0.00 C ATOM 377 CD LYS A 24 -5.672 -18.492 6.095 1.00 0.00 C ATOM 378 CE LYS A 24 -5.090 -19.173 7.339 1.00 0.00 C ATOM 379 NZ LYS A 24 -5.319 -20.644 7.391 1.00 0.00 N ATOM 0 H LYS A 24 -5.589 -17.374 1.394 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.659 -16.483 4.182 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.605 -18.589 3.409 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.079 -19.046 2.680 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.311 -20.157 4.808 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.990 -19.008 4.885 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.466 -17.422 6.129 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.756 -18.608 6.084 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.018 -18.982 7.376 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.526 -18.717 8.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.067 -21.001 8.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.321 -20.846 7.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.729 -21.113 6.674 1.00 0.00 H new ATOM 393 N LYS A 25 -3.191 -16.524 4.831 1.00 0.00 N ATOM 394 CA LYS A 25 -1.795 -16.287 5.291 1.00 0.00 C ATOM 395 C LYS A 25 -0.776 -17.371 4.876 1.00 0.00 C ATOM 396 O LYS A 25 -0.265 -18.156 5.669 1.00 0.00 O ATOM 397 CB LYS A 25 -1.844 -15.800 6.760 1.00 0.00 C ATOM 398 CG LYS A 25 -0.741 -16.032 7.787 1.00 0.00 C ATOM 399 CD LYS A 25 0.488 -15.136 7.571 1.00 0.00 C ATOM 400 CE LYS A 25 0.908 -14.285 8.755 1.00 0.00 C ATOM 401 NZ LYS A 25 1.136 -15.058 10.007 1.00 0.00 N ATOM 0 H LYS A 25 -3.840 -16.539 5.618 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.332 -15.470 4.737 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.991 -14.721 6.715 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.750 -16.228 7.189 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.141 -15.854 8.785 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.432 -17.077 7.748 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.329 -15.769 7.288 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.288 -14.476 6.727 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.823 -13.751 8.499 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.141 -13.533 8.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.610 -14.453 10.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.223 -15.379 10.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.735 -15.883 9.801 1.00 0.00 H new ATOM 415 N GLY A 26 -0.514 -17.395 3.568 1.00 0.00 N ATOM 416 CA GLY A 26 0.450 -18.250 2.874 1.00 0.00 C ATOM 417 C GLY A 26 -0.146 -19.204 1.852 1.00 0.00 C ATOM 418 O GLY A 26 0.513 -20.171 1.476 1.00 0.00 O ATOM 0 H GLY A 26 -1.003 -16.775 2.922 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.179 -17.614 2.371 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.994 -18.833 3.617 1.00 0.00 H new ATOM 422 N GLN A 27 -1.384 -18.976 1.409 1.00 0.00 N ATOM 423 CA GLN A 27 -1.914 -19.718 0.264 1.00 0.00 C ATOM 424 C GLN A 27 -1.008 -19.592 -0.969 1.00 0.00 C ATOM 425 O GLN A 27 -0.377 -18.561 -1.204 1.00 0.00 O ATOM 426 CB GLN A 27 -3.404 -19.455 0.050 1.00 0.00 C ATOM 427 CG GLN A 27 -3.683 -18.565 -1.125 1.00 0.00 C ATOM 428 CD GLN A 27 -5.168 -18.294 -1.313 1.00 0.00 C ATOM 429 OE1 GLN A 27 -5.968 -18.321 -0.386 1.00 0.00 O ATOM 430 NE2 GLN A 27 -5.586 -18.038 -2.528 1.00 0.00 N ATOM 0 H GLN A 27 -2.027 -18.297 1.816 1.00 0.00 H new ATOM 0 HA GLN A 27 -1.882 -20.784 0.489 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.918 -20.406 -0.092 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.819 -19.000 0.949 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.159 -17.619 -0.992 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.284 -19.026 -2.028 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.922 -18.015 -3.302 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.576 -17.862 -2.700 1.00 0.00 H new ATOM 439 N THR A 28 -0.957 -20.655 -1.762 1.00 0.00 N ATOM 440 CA THR A 28 -0.221 -20.735 -3.028 1.00 0.00 C ATOM 441 C THR A 28 -0.891 -19.893 -4.116 1.00 0.00 C ATOM 442 O THR A 28 -2.113 -19.889 -4.251 1.00 0.00 O ATOM 443 CB THR A 28 -0.124 -22.210 -3.428 1.00 0.00 C ATOM 444 OG1 THR A 28 0.447 -22.937 -2.357 1.00 0.00 O ATOM 445 CG2 THR A 28 0.789 -22.449 -4.623 1.00 0.00 C ATOM 0 H THR A 28 -1.445 -21.522 -1.536 1.00 0.00 H new ATOM 0 HA THR A 28 0.781 -20.325 -2.903 1.00 0.00 H new ATOM 0 HB THR A 28 -1.137 -22.525 -3.680 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.512 -23.884 -2.602 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.814 -23.514 -4.855 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.412 -21.899 -5.485 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.796 -22.106 -4.386 1.00 0.00 H new ATOM 453 N LEU A 29 -0.071 -19.173 -4.883 1.00 0.00 N ATOM 454 CA LEU A 29 -0.455 -18.115 -5.819 1.00 0.00 C ATOM 455 C LEU A 29 -0.034 -18.412 -7.270 1.00 0.00 C ATOM 456 O LEU A 29 -0.849 -18.275 -8.183 1.00 0.00 O ATOM 457 CB LEU A 29 0.183 -16.807 -5.357 1.00 0.00 C ATOM 458 CG LEU A 29 -0.090 -16.370 -3.913 1.00 0.00 C ATOM 459 CD1 LEU A 29 0.306 -14.910 -3.811 1.00 0.00 C ATOM 460 CD2 LEU A 29 -1.519 -16.492 -3.386 1.00 0.00 C ATOM 0 H LEU A 29 0.938 -19.321 -4.867 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.543 -18.048 -5.819 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.262 -16.892 -5.487 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.156 -16.012 -6.021 1.00 0.00 H new ATOM 0 HG LEU A 29 0.485 -17.063 -3.299 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.128 -14.555 -2.796 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.363 -14.802 -4.053 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.288 -14.322 -4.511 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.557 -16.146 -2.353 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.185 -15.883 -3.997 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.836 -17.534 -3.431 1.00 0.00 H new ATOM 472 N PHE A 30 1.201 -18.882 -7.477 1.00 0.00 N ATOM 473 CA PHE A 30 1.759 -19.198 -8.811 1.00 0.00 C ATOM 474 C PHE A 30 2.641 -20.448 -8.793 1.00 0.00 C ATOM 475 O PHE A 30 3.043 -20.953 -7.743 1.00 0.00 O ATOM 476 CB PHE A 30 2.573 -18.027 -9.411 1.00 0.00 C ATOM 477 CG PHE A 30 1.981 -16.639 -9.307 1.00 0.00 C ATOM 478 CD1 PHE A 30 2.055 -15.898 -8.112 1.00 0.00 C ATOM 479 CD2 PHE A 30 1.398 -16.072 -10.448 1.00 0.00 C ATOM 480 CE1 PHE A 30 1.463 -14.621 -8.016 1.00 0.00 C ATOM 481 CE2 PHE A 30 0.826 -14.796 -10.371 1.00 0.00 C ATOM 482 CZ PHE A 30 0.804 -14.099 -9.149 1.00 0.00 C ATOM 0 H PHE A 30 1.857 -19.059 -6.716 1.00 0.00 H new ATOM 0 HA PHE A 30 0.889 -19.382 -9.441 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.549 -18.013 -8.927 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.743 -18.242 -10.466 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.571 -16.312 -7.259 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.390 -16.616 -11.381 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.513 -14.056 -7.097 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.399 -14.345 -11.255 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.279 -13.158 -9.078 1.00 0.00 H new ATOM 492 N ILE A 31 2.971 -20.904 -10.001 1.00 0.00 N ATOM 493 CA ILE A 31 3.937 -21.970 -10.290 1.00 0.00 C ATOM 494 C ILE A 31 4.875 -21.449 -11.381 1.00 0.00 C ATOM 495 O ILE A 31 4.424 -20.749 -12.286 1.00 0.00 O ATOM 496 CB ILE A 31 3.225 -23.262 -10.734 1.00 0.00 C ATOM 497 CG1 ILE A 31 2.210 -23.656 -9.651 1.00 0.00 C ATOM 498 CG2 ILE A 31 4.226 -24.419 -11.009 1.00 0.00 C ATOM 499 CD1 ILE A 31 1.457 -24.953 -9.916 1.00 0.00 C ATOM 0 H ILE A 31 2.552 -20.522 -10.849 1.00 0.00 H new ATOM 0 HA ILE A 31 4.503 -22.224 -9.394 1.00 0.00 H new ATOM 0 HB ILE A 31 2.711 -23.075 -11.677 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.733 -23.745 -8.699 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.486 -22.849 -9.542 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.678 -25.309 -11.319 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.915 -24.124 -11.800 1.00 0.00 H new ATOM 0 HG23 ILE A 31 4.788 -24.637 -10.101 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.765 -25.146 -9.096 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.900 -24.866 -10.849 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.167 -25.777 -9.993 1.00 0.00 H new ATOM 511 N ILE A 32 6.153 -21.805 -11.316 1.00 0.00 N ATOM 512 CA ILE A 32 7.213 -21.429 -12.256 1.00 0.00 C ATOM 513 C ILE A 32 7.955 -22.639 -12.775 1.00 0.00 C ATOM 514 O ILE A 32 8.057 -23.647 -12.094 1.00 0.00 O ATOM 515 CB ILE A 32 8.186 -20.443 -11.569 1.00 0.00 C ATOM 516 CG1 ILE A 32 7.476 -19.085 -11.528 1.00 0.00 C ATOM 517 CG2 ILE A 32 9.583 -20.304 -12.218 1.00 0.00 C ATOM 518 CD1 ILE A 32 8.263 -18.047 -10.743 1.00 0.00 C ATOM 0 H ILE A 32 6.502 -22.399 -10.563 1.00 0.00 H new ATOM 0 HA ILE A 32 6.753 -20.943 -13.116 1.00 0.00 H new ATOM 0 HB ILE A 32 8.410 -20.842 -10.580 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.321 -18.727 -12.546 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.490 -19.206 -11.079 1.00 0.00 H new ATOM 0 HG21 ILE A 32 10.178 -19.587 -11.652 1.00 0.00 H new ATOM 0 HG22 ILE A 32 10.083 -21.272 -12.216 1.00 0.00 H new ATOM 0 HG23 ILE A 32 9.474 -19.954 -13.245 1.00 0.00 H new ATOM 0 HD11 ILE A 32 7.720 -17.102 -10.743 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.395 -18.390 -9.717 1.00 0.00 H new ATOM 0 HD13 ILE A 32 9.239 -17.904 -11.206 1.00 0.00 H new ATOM 530 N GLU A 33 8.526 -22.492 -13.966 1.00 0.00 N ATOM 531 CA GLU A 33 9.453 -23.415 -14.590 1.00 0.00 C ATOM 532 C GLU A 33 10.825 -22.757 -14.720 1.00 0.00 C ATOM 533 O GLU A 33 10.990 -21.785 -15.464 1.00 0.00 O ATOM 534 CB GLU A 33 8.868 -23.824 -15.950 1.00 0.00 C ATOM 535 CG GLU A 33 9.564 -25.060 -16.469 1.00 0.00 C ATOM 536 CD GLU A 33 8.814 -25.663 -17.672 1.00 0.00 C ATOM 537 OE1 GLU A 33 7.755 -26.306 -17.466 1.00 0.00 O ATOM 538 OE2 GLU A 33 9.279 -25.493 -18.825 1.00 0.00 O ATOM 0 H GLU A 33 8.340 -21.677 -14.551 1.00 0.00 H new ATOM 0 HA GLU A 33 9.590 -24.312 -13.986 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.799 -24.014 -15.852 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.982 -23.008 -16.663 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.584 -24.809 -16.762 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.634 -25.801 -15.673 1.00 0.00 H new ATOM 545 N GLN A 34 11.800 -23.267 -13.961 1.00 0.00 N ATOM 546 CA GLN A 34 13.201 -22.816 -13.988 1.00 0.00 C ATOM 547 C GLN A 34 13.972 -23.218 -15.252 1.00 0.00 C ATOM 548 O GLN A 34 15.003 -22.634 -15.577 1.00 0.00 O ATOM 549 CB GLN A 34 13.943 -23.400 -12.777 1.00 0.00 C ATOM 550 CG GLN A 34 13.441 -22.840 -11.431 1.00 0.00 C ATOM 551 CD GLN A 34 14.384 -23.178 -10.275 1.00 0.00 C ATOM 552 OE1 GLN A 34 15.576 -22.885 -10.292 1.00 0.00 O ATOM 553 NE2 GLN A 34 13.899 -23.753 -9.199 1.00 0.00 N ATOM 0 H GLN A 34 11.637 -24.022 -13.295 1.00 0.00 H new ATOM 0 HA GLN A 34 13.162 -21.727 -13.969 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.830 -24.484 -12.777 1.00 0.00 H new ATOM 0 HB3 GLN A 34 15.008 -23.191 -12.876 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.336 -21.758 -11.507 1.00 0.00 H new ATOM 0 HG3 GLN A 34 12.451 -23.243 -11.219 1.00 0.00 H new ATOM 0 HE21 GLN A 34 12.912 -24.007 -9.157 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.509 -23.945 -8.405 1.00 0.00 H new ATOM 1048 N HIS A 67 10.136 -27.283 -11.612 1.00 0.00 N ATOM 1049 CA HIS A 67 9.067 -26.400 -11.165 1.00 0.00 C ATOM 1050 C HIS A 67 9.250 -25.888 -9.731 1.00 0.00 C ATOM 1051 O HIS A 67 9.739 -26.615 -8.863 1.00 0.00 O ATOM 1052 CB HIS A 67 7.682 -27.072 -11.307 1.00 0.00 C ATOM 1053 CG HIS A 67 7.229 -27.349 -12.720 1.00 0.00 C ATOM 1054 ND1 HIS A 67 6.381 -28.381 -13.111 1.00 0.00 N ATOM 1055 CD2 HIS A 67 7.510 -26.591 -13.817 1.00 0.00 C ATOM 1056 CE1 HIS A 67 6.180 -28.229 -14.433 1.00 0.00 C ATOM 1057 NE2 HIS A 67 6.871 -27.169 -14.887 1.00 0.00 N ATOM 0 HA HIS A 67 9.119 -25.533 -11.823 1.00 0.00 H new ATOM 0 HB2 HIS A 67 7.698 -28.014 -10.759 1.00 0.00 H new ATOM 0 HB3 HIS A 67 6.939 -26.436 -10.825 1.00 0.00 H new ATOM 0 HD2 HIS A 67 8.121 -25.701 -13.841 1.00 0.00 H new ATOM 0 HE1 HIS A 67 5.555 -28.866 -15.041 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.913 -26.850 -15.855 1.00 0.00 H new ATOM 1065 N THR A 68 8.787 -24.661 -9.459 1.00 0.00 N ATOM 1066 CA THR A 68 8.797 -24.057 -8.113 1.00 0.00 C ATOM 1067 C THR A 68 7.516 -23.268 -7.865 1.00 0.00 C ATOM 1068 O THR A 68 7.023 -22.583 -8.757 1.00 0.00 O ATOM 1069 CB THR A 68 10.023 -23.141 -7.969 1.00 0.00 C ATOM 1070 OG1 THR A 68 11.202 -23.862 -8.226 1.00 0.00 O ATOM 1071 CG2 THR A 68 10.185 -22.544 -6.576 1.00 0.00 C ATOM 0 H THR A 68 8.390 -24.050 -10.173 1.00 0.00 H new ATOM 0 HA THR A 68 8.853 -24.853 -7.371 1.00 0.00 H new ATOM 0 HB THR A 68 9.857 -22.336 -8.685 1.00 0.00 H new ATOM 0 HG1 THR A 68 11.898 -23.587 -7.593 1.00 0.00 H new ATOM 0 HG21 THR A 68 11.071 -21.910 -6.553 1.00 0.00 H new ATOM 0 HG22 THR A 68 9.306 -21.948 -6.331 1.00 0.00 H new ATOM 0 HG23 THR A 68 10.294 -23.347 -5.847 1.00 0.00 H new ATOM 1079 N GLU A 69 6.954 -23.364 -6.657 1.00 0.00 N ATOM 1080 CA GLU A 69 5.691 -22.707 -6.279 1.00 0.00 C ATOM 1081 C GLU A 69 5.940 -21.357 -5.582 1.00 0.00 C ATOM 1082 O GLU A 69 6.997 -21.129 -4.994 1.00 0.00 O ATOM 1083 CB GLU A 69 4.876 -23.628 -5.356 1.00 0.00 C ATOM 1084 CG GLU A 69 4.478 -24.947 -6.043 1.00 0.00 C ATOM 1085 CD GLU A 69 3.663 -25.843 -5.097 1.00 0.00 C ATOM 1086 OE1 GLU A 69 4.251 -26.423 -4.151 1.00 0.00 O ATOM 1087 OE2 GLU A 69 2.437 -26.008 -5.302 1.00 0.00 O ATOM 0 H GLU A 69 7.367 -23.908 -5.899 1.00 0.00 H new ATOM 0 HA GLU A 69 5.130 -22.514 -7.193 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.459 -23.849 -4.462 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.977 -23.106 -5.029 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.894 -24.732 -6.938 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.374 -25.476 -6.367 1.00 0.00 H new ATOM 1094 N ILE A 70 4.955 -20.455 -5.647 1.00 0.00 N ATOM 1095 CA ILE A 70 4.999 -19.097 -5.102 1.00 0.00 C ATOM 1096 C ILE A 70 3.764 -18.914 -4.229 1.00 0.00 C ATOM 1097 O ILE A 70 2.668 -19.308 -4.635 1.00 0.00 O ATOM 1098 CB ILE A 70 5.075 -18.024 -6.208 1.00 0.00 C ATOM 1099 CG1 ILE A 70 6.339 -18.189 -7.068 1.00 0.00 C ATOM 1100 CG2 ILE A 70 5.094 -16.609 -5.593 1.00 0.00 C ATOM 1101 CD1 ILE A 70 6.176 -19.177 -8.219 1.00 0.00 C ATOM 0 H ILE A 70 4.066 -20.663 -6.102 1.00 0.00 H new ATOM 0 HA ILE A 70 5.906 -18.969 -4.511 1.00 0.00 H new ATOM 0 HB ILE A 70 4.192 -18.153 -6.834 1.00 0.00 H new ATOM 0 HG12 ILE A 70 6.621 -17.217 -7.473 1.00 0.00 H new ATOM 0 HG13 ILE A 70 7.160 -18.519 -6.431 1.00 0.00 H new ATOM 0 HG21 ILE A 70 5.148 -15.867 -6.389 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.185 -16.453 -5.012 1.00 0.00 H new ATOM 0 HG23 ILE A 70 5.963 -16.507 -4.942 1.00 0.00 H new ATOM 0 HD11 ILE A 70 7.109 -19.240 -8.780 1.00 0.00 H new ATOM 0 HD12 ILE A 70 5.925 -20.160 -7.822 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.378 -18.838 -8.879 1.00 0.00 H new ATOM 1113 N LYS A 71 3.928 -18.322 -3.043 1.00 0.00 N ATOM 1114 CA LYS A 71 2.907 -18.264 -1.977 1.00 0.00 C ATOM 1115 C LYS A 71 2.788 -16.848 -1.393 1.00 0.00 C ATOM 1116 O LYS A 71 3.763 -16.099 -1.394 1.00 0.00 O ATOM 1117 CB LYS A 71 3.277 -19.289 -0.884 1.00 0.00 C ATOM 1118 CG LYS A 71 3.499 -20.725 -1.410 1.00 0.00 C ATOM 1119 CD LYS A 71 3.944 -21.724 -0.335 1.00 0.00 C ATOM 1120 CE LYS A 71 2.889 -22.024 0.735 1.00 0.00 C ATOM 1121 NZ LYS A 71 1.777 -22.860 0.207 1.00 0.00 N ATOM 0 H LYS A 71 4.797 -17.855 -2.784 1.00 0.00 H new ATOM 0 HA LYS A 71 1.932 -18.513 -2.396 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.184 -18.955 -0.380 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.485 -19.307 -0.136 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.573 -21.082 -1.862 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.250 -20.699 -2.200 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.225 -22.658 -0.821 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.838 -21.337 0.154 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.360 -22.536 1.574 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.486 -21.087 1.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.925 -22.710 0.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.579 -22.592 -0.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.049 -23.863 0.245 1.00 0.00 H new ATOM 1135 N ALA A 72 1.608 -16.485 -0.886 1.00 0.00 N ATOM 1136 CA ALA A 72 1.352 -15.196 -0.241 1.00 0.00 C ATOM 1137 C ALA A 72 2.225 -14.997 1.006 1.00 0.00 C ATOM 1138 O ALA A 72 2.614 -15.979 1.652 1.00 0.00 O ATOM 1139 CB ALA A 72 -0.133 -15.134 0.166 1.00 0.00 C ATOM 0 H ALA A 72 0.788 -17.091 -0.913 1.00 0.00 H new ATOM 0 HA ALA A 72 1.597 -14.404 -0.949 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.338 -14.178 0.648 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.758 -15.234 -0.721 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.354 -15.945 0.859 1.00 0.00 H new ATOM 1145 N PRO A 73 2.489 -13.742 1.421 1.00 0.00 N ATOM 1146 CA PRO A 73 3.085 -13.488 2.730 1.00 0.00 C ATOM 1147 C PRO A 73 2.035 -13.591 3.847 1.00 0.00 C ATOM 1148 O PRO A 73 2.310 -14.130 4.917 1.00 0.00 O ATOM 1149 CB PRO A 73 3.622 -12.066 2.616 1.00 0.00 C ATOM 1150 CG PRO A 73 2.645 -11.396 1.654 1.00 0.00 C ATOM 1151 CD PRO A 73 2.319 -12.507 0.661 1.00 0.00 C ATOM 0 HA PRO A 73 3.859 -14.212 2.985 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.641 -11.565 3.584 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.641 -12.051 2.229 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.752 -11.041 2.169 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.093 -10.533 1.161 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.302 -12.413 0.280 1.00 0.00 H new ATOM 0 HD3 PRO A 73 2.986 -12.477 -0.201 1.00 0.00 H new ATOM 1159 N PHE A 74 0.823 -13.077 3.587 1.00 0.00 N ATOM 1160 CA PHE A 74 -0.242 -12.938 4.582 1.00 0.00 C ATOM 1161 C PHE A 74 -1.676 -12.812 4.063 1.00 0.00 C ATOM 1162 O PHE A 74 -1.946 -12.599 2.882 1.00 0.00 O ATOM 1163 CB PHE A 74 0.062 -11.784 5.541 1.00 0.00 C ATOM 1164 CG PHE A 74 0.315 -10.451 4.841 1.00 0.00 C ATOM 1165 CD1 PHE A 74 -0.758 -9.677 4.363 1.00 0.00 C ATOM 1166 CD2 PHE A 74 1.629 -10.015 4.586 1.00 0.00 C ATOM 1167 CE1 PHE A 74 -0.522 -8.477 3.668 1.00 0.00 C ATOM 1168 CE2 PHE A 74 1.873 -8.823 3.886 1.00 0.00 C ATOM 1169 CZ PHE A 74 0.796 -8.045 3.436 1.00 0.00 C ATOM 0 H PHE A 74 0.555 -12.742 2.662 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.228 -13.901 5.092 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -0.773 -11.668 6.232 1.00 0.00 H new ATOM 0 HB3 PHE A 74 0.936 -12.041 6.139 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -1.772 -10.007 4.531 1.00 0.00 H new ATOM 0 HD2 PHE A 74 2.462 -10.607 4.934 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -1.354 -7.887 3.312 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.887 -8.506 3.694 1.00 0.00 H new ATOM 0 HZ PHE A 74 0.978 -7.118 2.913 1.00 0.00 H new ATOM 1179 N ASP A 75 -2.579 -12.997 5.025 1.00 0.00 N ATOM 1180 CA ASP A 75 -4.034 -12.939 4.909 1.00 0.00 C ATOM 1181 C ASP A 75 -4.567 -11.577 4.436 1.00 0.00 C ATOM 1182 O ASP A 75 -4.180 -10.518 4.938 1.00 0.00 O ATOM 1183 CB ASP A 75 -4.680 -13.314 6.257 1.00 0.00 C ATOM 1184 CG ASP A 75 -4.185 -12.449 7.435 1.00 0.00 C ATOM 1185 OD1 ASP A 75 -3.035 -12.653 7.891 1.00 0.00 O ATOM 1186 OD2 ASP A 75 -4.957 -11.593 7.929 1.00 0.00 O ATOM 0 H ASP A 75 -2.289 -13.208 5.980 1.00 0.00 H new ATOM 0 HA ASP A 75 -4.309 -13.659 4.138 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.762 -13.215 6.173 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -4.471 -14.362 6.472 1.00 0.00 H new ATOM 1191 N GLY A 76 -5.501 -11.603 3.486 1.00 0.00 N ATOM 1192 CA GLY A 76 -6.108 -10.391 2.939 1.00 0.00 C ATOM 1193 C GLY A 76 -6.758 -10.568 1.570 1.00 0.00 C ATOM 1194 O GLY A 76 -7.282 -11.630 1.225 1.00 0.00 O ATOM 0 H GLY A 76 -5.858 -12.465 3.074 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -6.860 -10.029 3.640 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.343 -9.618 2.866 1.00 0.00 H new ATOM 1198 N THR A 77 -6.697 -9.489 0.793 1.00 0.00 N ATOM 1199 CA THR A 77 -7.165 -9.387 -0.596 1.00 0.00 C ATOM 1200 C THR A 77 -5.975 -9.300 -1.530 1.00 0.00 C ATOM 1201 O THR A 77 -4.856 -8.988 -1.126 1.00 0.00 O ATOM 1202 CB THR A 77 -8.093 -8.161 -0.729 1.00 0.00 C ATOM 1203 OG1 THR A 77 -9.277 -8.423 -0.013 1.00 0.00 O ATOM 1204 CG2 THR A 77 -8.557 -7.761 -2.132 1.00 0.00 C ATOM 0 H THR A 77 -6.299 -8.612 1.130 1.00 0.00 H new ATOM 0 HA THR A 77 -7.735 -10.274 -0.871 1.00 0.00 H new ATOM 0 HB THR A 77 -7.475 -7.342 -0.362 1.00 0.00 H new ATOM 0 HG1 THR A 77 -9.859 -7.635 -0.044 1.00 0.00 H new ATOM 0 HG21 THR A 77 -9.201 -6.884 -2.066 1.00 0.00 H new ATOM 0 HG22 THR A 77 -7.690 -7.528 -2.749 1.00 0.00 H new ATOM 0 HG23 THR A 77 -9.111 -8.585 -2.581 1.00 0.00 H new ATOM 1212 N ILE A 78 -6.217 -9.603 -2.797 1.00 0.00 N ATOM 1213 CA ILE A 78 -5.169 -9.666 -3.804 1.00 0.00 C ATOM 1214 C ILE A 78 -5.649 -8.986 -5.092 1.00 0.00 C ATOM 1215 O ILE A 78 -6.805 -9.126 -5.491 1.00 0.00 O ATOM 1216 CB ILE A 78 -4.723 -11.131 -3.942 1.00 0.00 C ATOM 1217 CG1 ILE A 78 -3.429 -11.195 -4.750 1.00 0.00 C ATOM 1218 CG2 ILE A 78 -5.827 -12.059 -4.474 1.00 0.00 C ATOM 1219 CD1 ILE A 78 -2.639 -12.475 -4.519 1.00 0.00 C ATOM 0 H ILE A 78 -7.148 -9.813 -3.156 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.278 -9.107 -3.519 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.519 -11.521 -2.945 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.666 -11.109 -5.810 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.805 -10.339 -4.492 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.443 -13.077 -4.546 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.678 -12.039 -3.793 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.143 -11.720 -5.460 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.732 -12.456 -5.123 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -2.372 -12.553 -3.465 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -3.247 -13.334 -4.804 1.00 0.00 H new ATOM 1231 N GLY A 79 -4.785 -8.158 -5.677 1.00 0.00 N ATOM 1232 CA GLY A 79 -5.150 -7.263 -6.778 1.00 0.00 C ATOM 1233 C GLY A 79 -5.260 -7.975 -8.125 1.00 0.00 C ATOM 1234 O GLY A 79 -5.217 -9.203 -8.211 1.00 0.00 O ATOM 0 H GLY A 79 -3.806 -8.088 -5.400 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.103 -6.786 -6.548 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.406 -6.470 -6.854 1.00 0.00 H new ATOM 1238 N ASP A 80 -5.403 -7.206 -9.204 1.00 0.00 N ATOM 1239 CA ASP A 80 -5.264 -7.748 -10.554 1.00 0.00 C ATOM 1240 C ASP A 80 -3.853 -8.272 -10.799 1.00 0.00 C ATOM 1241 O ASP A 80 -2.856 -7.581 -10.568 1.00 0.00 O ATOM 1242 CB ASP A 80 -5.666 -6.759 -11.654 1.00 0.00 C ATOM 1243 CG ASP A 80 -5.053 -5.348 -11.540 1.00 0.00 C ATOM 1244 OD1 ASP A 80 -5.208 -4.689 -10.481 1.00 0.00 O ATOM 1245 OD2 ASP A 80 -4.436 -4.875 -12.525 1.00 0.00 O ATOM 0 H ASP A 80 -5.614 -6.209 -9.169 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.966 -8.580 -10.610 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.383 -7.181 -12.618 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.752 -6.665 -11.653 1.00 0.00 H new ATOM 1250 N ALA A 81 -3.800 -9.503 -11.292 1.00 0.00 N ATOM 1251 CA ALA A 81 -2.582 -10.166 -11.728 1.00 0.00 C ATOM 1252 C ALA A 81 -1.828 -9.336 -12.789 1.00 0.00 C ATOM 1253 O ALA A 81 -2.442 -8.642 -13.605 1.00 0.00 O ATOM 1254 CB ALA A 81 -3.019 -11.508 -12.312 1.00 0.00 C ATOM 0 H ALA A 81 -4.631 -10.084 -11.402 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.893 -10.291 -10.893 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.143 -12.056 -12.659 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.531 -12.089 -11.545 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.696 -11.337 -13.149 1.00 0.00 H new ATOM 1260 N LEU A 82 -0.503 -9.466 -12.817 1.00 0.00 N ATOM 1261 CA LEU A 82 0.402 -8.716 -13.697 1.00 0.00 C ATOM 1262 C LEU A 82 1.205 -9.636 -14.645 1.00 0.00 C ATOM 1263 O LEU A 82 2.033 -9.166 -15.428 1.00 0.00 O ATOM 1264 CB LEU A 82 1.309 -7.828 -12.833 1.00 0.00 C ATOM 1265 CG LEU A 82 0.640 -6.822 -11.894 1.00 0.00 C ATOM 1266 CD1 LEU A 82 1.660 -6.224 -10.920 1.00 0.00 C ATOM 1267 CD2 LEU A 82 0.092 -5.720 -12.760 1.00 0.00 C ATOM 0 H LEU A 82 -0.009 -10.118 -12.208 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.191 -8.082 -14.356 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.940 -8.481 -12.230 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.970 -7.275 -13.500 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.139 -7.313 -11.311 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.161 -5.512 -10.263 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.103 -7.021 -10.322 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.443 -5.713 -11.481 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.397 -4.974 -12.134 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.907 -5.252 -13.312 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.631 -6.135 -13.462 1.00 0.00 H new ATOM 1279 N VAL A 83 0.958 -10.953 -14.578 1.00 0.00 N ATOM 1280 CA VAL A 83 1.689 -12.024 -15.292 1.00 0.00 C ATOM 1281 C VAL A 83 0.755 -13.169 -15.691 1.00 0.00 C ATOM 1282 O VAL A 83 -0.297 -13.377 -15.080 1.00 0.00 O ATOM 1283 CB VAL A 83 2.847 -12.581 -14.430 1.00 0.00 C ATOM 1284 CG1 VAL A 83 3.807 -11.475 -13.986 1.00 0.00 C ATOM 1285 CG2 VAL A 83 2.364 -13.309 -13.169 1.00 0.00 C ATOM 0 H VAL A 83 0.206 -11.324 -13.997 1.00 0.00 H new ATOM 0 HA VAL A 83 2.102 -11.577 -16.196 1.00 0.00 H new ATOM 0 HB VAL A 83 3.357 -13.293 -15.079 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.606 -11.907 -13.383 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.236 -10.991 -14.864 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.264 -10.738 -13.394 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.224 -13.675 -12.609 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.793 -12.620 -12.547 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.732 -14.150 -13.454 1.00 0.00 H new ATOM 1295 N ASN A 84 1.157 -13.938 -16.696 1.00 0.00 N ATOM 1296 CA ASN A 84 0.455 -15.076 -17.251 1.00 0.00 C ATOM 1297 C ASN A 84 1.455 -16.184 -17.598 1.00 0.00 C ATOM 1298 O ASN A 84 2.660 -15.970 -17.635 1.00 0.00 O ATOM 1299 CB ASN A 84 -0.267 -14.653 -18.541 1.00 0.00 C ATOM 1300 CG ASN A 84 -0.941 -13.295 -18.510 1.00 0.00 C ATOM 1301 OD1 ASN A 84 -2.113 -13.173 -18.182 1.00 0.00 O ATOM 1302 ND2 ASN A 84 -0.231 -12.255 -18.865 1.00 0.00 N ATOM 0 H ASN A 84 2.042 -13.767 -17.173 1.00 0.00 H new ATOM 0 HA ASN A 84 -0.264 -15.440 -16.517 1.00 0.00 H new ATOM 0 HB2 ASN A 84 0.455 -14.660 -19.357 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -1.020 -15.405 -18.776 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -0.654 -11.327 -18.871 1.00 0.00 H new ATOM 0 HD22 ASN A 84 0.745 -12.372 -19.136 1.00 0.00 H new ATOM 1309 N ILE A 85 0.928 -17.365 -17.895 1.00 0.00 N ATOM 1310 CA ILE A 85 1.651 -18.586 -18.243 1.00 0.00 C ATOM 1311 C ILE A 85 2.495 -18.338 -19.506 1.00 0.00 C ATOM 1312 O ILE A 85 1.942 -18.257 -20.607 1.00 0.00 O ATOM 1313 CB ILE A 85 0.615 -19.714 -18.426 1.00 0.00 C ATOM 1314 CG1 ILE A 85 -0.112 -20.101 -17.116 1.00 0.00 C ATOM 1315 CG2 ILE A 85 1.277 -21.000 -18.968 1.00 0.00 C ATOM 1316 CD1 ILE A 85 -0.968 -19.035 -16.419 1.00 0.00 C ATOM 0 H ILE A 85 -0.082 -17.507 -17.900 1.00 0.00 H new ATOM 0 HA ILE A 85 2.344 -18.884 -17.457 1.00 0.00 H new ATOM 0 HB ILE A 85 -0.110 -19.310 -19.133 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.754 -20.955 -17.332 1.00 0.00 H new ATOM 0 HG13 ILE A 85 0.641 -20.440 -16.405 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.521 -21.776 -19.086 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.738 -20.793 -19.934 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.040 -21.340 -18.267 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.411 -19.457 -15.517 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.342 -18.184 -16.152 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.759 -18.706 -17.093 1.00 0.00 H new ATOM 1328 N GLY A 86 3.814 -18.134 -19.351 1.00 0.00 N ATOM 1329 CA GLY A 86 4.698 -17.784 -20.462 1.00 0.00 C ATOM 1330 C GLY A 86 5.352 -16.409 -20.294 1.00 0.00 C ATOM 1331 O GLY A 86 6.319 -16.119 -21.005 1.00 0.00 O ATOM 0 H GLY A 86 4.291 -18.208 -18.452 1.00 0.00 H new ATOM 0 HA2 GLY A 86 5.476 -18.542 -20.553 1.00 0.00 H new ATOM 0 HA3 GLY A 86 4.128 -17.799 -21.391 1.00 0.00 H new ATOM 1335 N ASP A 87 4.861 -15.569 -19.368 1.00 0.00 N ATOM 1336 CA ASP A 87 5.579 -14.356 -18.993 1.00 0.00 C ATOM 1337 C ASP A 87 6.889 -14.780 -18.321 1.00 0.00 C ATOM 1338 O ASP A 87 6.908 -15.581 -17.366 1.00 0.00 O ATOM 1339 CB ASP A 87 4.754 -13.449 -18.076 1.00 0.00 C ATOM 1340 CG ASP A 87 3.816 -12.544 -18.889 1.00 0.00 C ATOM 1341 OD1 ASP A 87 4.328 -11.651 -19.602 1.00 0.00 O ATOM 1342 OD2 ASP A 87 2.576 -12.698 -18.796 1.00 0.00 O ATOM 0 H ASP A 87 3.980 -15.711 -18.875 1.00 0.00 H new ATOM 0 HA ASP A 87 5.781 -13.765 -19.887 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.169 -14.059 -17.387 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.421 -12.836 -17.471 1.00 0.00 H new ATOM 1347 N TYR A 88 7.982 -14.244 -18.863 1.00 0.00 N ATOM 1348 CA TYR A 88 9.308 -14.435 -18.314 1.00 0.00 C ATOM 1349 C TYR A 88 9.438 -13.672 -17.001 1.00 0.00 C ATOM 1350 O TYR A 88 9.517 -12.438 -16.996 1.00 0.00 O ATOM 1351 CB TYR A 88 10.401 -14.037 -19.316 1.00 0.00 C ATOM 1352 CG TYR A 88 11.669 -14.793 -18.990 1.00 0.00 C ATOM 1353 CD1 TYR A 88 12.538 -14.341 -17.979 1.00 0.00 C ATOM 1354 CD2 TYR A 88 11.826 -16.077 -19.531 1.00 0.00 C ATOM 1355 CE1 TYR A 88 13.534 -15.197 -17.476 1.00 0.00 C ATOM 1356 CE2 TYR A 88 12.767 -16.963 -18.987 1.00 0.00 C ATOM 1357 CZ TYR A 88 13.633 -16.524 -17.961 1.00 0.00 C ATOM 1358 OH TYR A 88 14.531 -17.394 -17.424 1.00 0.00 O ATOM 0 H TYR A 88 7.964 -13.663 -19.701 1.00 0.00 H new ATOM 0 HA TYR A 88 9.449 -15.497 -18.111 1.00 0.00 H new ATOM 0 HB2 TYR A 88 10.079 -14.263 -20.333 1.00 0.00 H new ATOM 0 HB3 TYR A 88 10.581 -12.963 -19.270 1.00 0.00 H new ATOM 0 HD1 TYR A 88 12.440 -13.338 -17.590 1.00 0.00 H new ATOM 0 HD2 TYR A 88 11.220 -16.385 -20.370 1.00 0.00 H new ATOM 0 HE1 TYR A 88 14.222 -14.843 -16.722 1.00 0.00 H new ATOM 0 HE2 TYR A 88 12.829 -17.978 -19.351 1.00 0.00 H new ATOM 0 HH TYR A 88 14.460 -18.260 -17.878 1.00 0.00 H new ATOM 1368 N VAL A 89 9.452 -14.417 -15.898 1.00 0.00 N ATOM 1369 CA VAL A 89 9.637 -13.821 -14.555 1.00 0.00 C ATOM 1370 C VAL A 89 10.981 -14.115 -13.883 1.00 0.00 C ATOM 1371 O VAL A 89 11.596 -15.163 -14.062 1.00 0.00 O ATOM 1372 CB VAL A 89 8.470 -14.127 -13.610 1.00 0.00 C ATOM 1373 CG1 VAL A 89 7.169 -13.533 -14.147 1.00 0.00 C ATOM 1374 CG2 VAL A 89 8.290 -15.628 -13.362 1.00 0.00 C ATOM 0 H VAL A 89 9.339 -15.431 -15.896 1.00 0.00 H new ATOM 0 HA VAL A 89 9.649 -12.750 -14.756 1.00 0.00 H new ATOM 0 HB VAL A 89 8.716 -13.663 -12.655 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.354 -13.762 -13.461 1.00 0.00 H new ATOM 0 HG12 VAL A 89 7.273 -12.452 -14.239 1.00 0.00 H new ATOM 0 HG13 VAL A 89 6.950 -13.961 -15.126 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.450 -15.787 -12.686 1.00 0.00 H new ATOM 0 HG22 VAL A 89 8.095 -16.132 -14.308 1.00 0.00 H new ATOM 0 HG23 VAL A 89 9.197 -16.034 -12.915 1.00 0.00 H new ATOM 1384 N SER A 90 11.440 -13.181 -13.053 1.00 0.00 N ATOM 1385 CA SER A 90 12.722 -13.249 -12.351 1.00 0.00 C ATOM 1386 C SER A 90 12.564 -12.785 -10.896 1.00 0.00 C ATOM 1387 O SER A 90 11.728 -11.931 -10.580 1.00 0.00 O ATOM 1388 CB SER A 90 13.741 -12.485 -13.175 1.00 0.00 C ATOM 1389 OG SER A 90 14.930 -12.264 -12.441 1.00 0.00 O ATOM 0 H SER A 90 10.916 -12.331 -12.844 1.00 0.00 H new ATOM 0 HA SER A 90 13.090 -14.271 -12.261 1.00 0.00 H new ATOM 0 HB2 SER A 90 13.970 -13.042 -14.083 1.00 0.00 H new ATOM 0 HB3 SER A 90 13.319 -11.529 -13.485 1.00 0.00 H new ATOM 0 HG SER A 90 14.962 -11.331 -12.144 1.00 0.00 H new ATOM 1395 N ALA A 91 13.366 -13.369 -9.995 1.00 0.00 N ATOM 1396 CA ALA A 91 13.169 -13.342 -8.538 1.00 0.00 C ATOM 1397 C ALA A 91 13.024 -12.021 -7.794 1.00 0.00 C ATOM 1398 O ALA A 91 12.416 -11.989 -6.720 1.00 0.00 O ATOM 1399 CB ALA A 91 14.173 -14.295 -7.883 1.00 0.00 C ATOM 0 H ALA A 91 14.198 -13.891 -10.269 1.00 0.00 H new ATOM 0 HA ALA A 91 12.138 -13.679 -8.427 1.00 0.00 H new ATOM 0 HB1 ALA A 91 14.035 -14.282 -6.802 1.00 0.00 H new ATOM 0 HB2 ALA A 91 14.012 -15.306 -8.257 1.00 0.00 H new ATOM 0 HB3 ALA A 91 15.187 -13.976 -8.123 1.00 0.00 H new ATOM 1405 N SER A 92 13.538 -10.931 -8.341 1.00 0.00 N ATOM 1406 CA SER A 92 13.168 -9.604 -7.846 1.00 0.00 C ATOM 1407 C SER A 92 12.806 -8.626 -8.976 1.00 0.00 C ATOM 1408 O SER A 92 12.437 -7.473 -8.724 1.00 0.00 O ATOM 1409 CB SER A 92 14.263 -9.042 -6.934 1.00 0.00 C ATOM 1410 OG SER A 92 15.482 -8.887 -7.643 1.00 0.00 O ATOM 0 H SER A 92 14.202 -10.931 -9.115 1.00 0.00 H new ATOM 0 HA SER A 92 12.261 -9.723 -7.254 1.00 0.00 H new ATOM 0 HB2 SER A 92 13.947 -8.080 -6.530 1.00 0.00 H new ATOM 0 HB3 SER A 92 14.413 -9.710 -6.086 1.00 0.00 H new ATOM 0 HG SER A 92 16.166 -8.525 -7.042 1.00 0.00 H new ATOM 1416 N THR A 93 12.874 -9.092 -10.225 1.00 0.00 N ATOM 1417 CA THR A 93 12.826 -8.246 -11.438 1.00 0.00 C ATOM 1418 C THR A 93 11.440 -8.121 -12.074 1.00 0.00 C ATOM 1419 O THR A 93 11.211 -7.257 -12.922 1.00 0.00 O ATOM 1420 CB THR A 93 13.778 -8.801 -12.517 1.00 0.00 C ATOM 1421 OG1 THR A 93 14.890 -9.485 -11.967 1.00 0.00 O ATOM 1422 CG2 THR A 93 14.345 -7.710 -13.412 1.00 0.00 C ATOM 0 H THR A 93 12.966 -10.086 -10.435 1.00 0.00 H new ATOM 0 HA THR A 93 13.124 -7.256 -11.094 1.00 0.00 H new ATOM 0 HB THR A 93 13.155 -9.486 -13.092 1.00 0.00 H new ATOM 0 HG1 THR A 93 15.567 -9.622 -12.663 1.00 0.00 H new ATOM 0 HG21 THR A 93 15.008 -8.156 -14.153 1.00 0.00 H new ATOM 0 HG22 THR A 93 13.529 -7.194 -13.918 1.00 0.00 H new ATOM 0 HG23 THR A 93 14.905 -6.997 -12.807 1.00 0.00 H new ATOM 1430 N THR A 94 10.505 -8.982 -11.675 1.00 0.00 N ATOM 1431 CA THR A 94 9.209 -9.165 -12.319 1.00 0.00 C ATOM 1432 C THR A 94 8.177 -9.433 -11.255 1.00 0.00 C ATOM 1433 O THR A 94 8.274 -10.353 -10.445 1.00 0.00 O ATOM 1434 CB THR A 94 9.215 -10.297 -13.352 1.00 0.00 C ATOM 1435 OG1 THR A 94 10.494 -10.519 -13.913 1.00 0.00 O ATOM 1436 CG2 THR A 94 8.281 -9.932 -14.499 1.00 0.00 C ATOM 0 H THR A 94 10.635 -9.591 -10.867 1.00 0.00 H new ATOM 0 HA THR A 94 8.970 -8.253 -12.865 1.00 0.00 H new ATOM 0 HB THR A 94 8.899 -11.200 -12.829 1.00 0.00 H new ATOM 0 HG1 THR A 94 10.404 -10.701 -14.872 1.00 0.00 H new ATOM 0 HG21 THR A 94 8.281 -10.734 -15.237 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.270 -9.792 -14.115 1.00 0.00 H new ATOM 0 HG23 THR A 94 8.622 -9.008 -14.966 1.00 0.00 H new ATOM 1444 N GLU A 95 7.220 -8.525 -11.234 1.00 0.00 N ATOM 1445 CA GLU A 95 6.263 -8.331 -10.169 1.00 0.00 C ATOM 1446 C GLU A 95 4.920 -8.919 -10.595 1.00 0.00 C ATOM 1447 O GLU A 95 4.337 -8.540 -11.612 1.00 0.00 O ATOM 1448 CB GLU A 95 6.267 -6.852 -9.752 1.00 0.00 C ATOM 1449 CG GLU A 95 7.380 -5.968 -10.338 1.00 0.00 C ATOM 1450 CD GLU A 95 7.440 -4.578 -9.681 1.00 0.00 C ATOM 1451 OE1 GLU A 95 6.607 -3.701 -10.013 1.00 0.00 O ATOM 1452 OE2 GLU A 95 8.353 -4.356 -8.847 1.00 0.00 O ATOM 0 H GLU A 95 7.085 -7.869 -12.003 1.00 0.00 H new ATOM 0 HA GLU A 95 6.525 -8.872 -9.260 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.307 -6.418 -10.031 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.334 -6.806 -8.665 1.00 0.00 H new ATOM 0 HG2 GLU A 95 8.340 -6.468 -10.211 1.00 0.00 H new ATOM 0 HG3 GLU A 95 7.220 -5.852 -11.410 1.00 0.00 H new ATOM 1459 N LEU A 96 4.489 -9.910 -9.825 1.00 0.00 N ATOM 1460 CA LEU A 96 3.410 -10.839 -10.188 1.00 0.00 C ATOM 1461 C LEU A 96 1.985 -10.308 -9.975 1.00 0.00 C ATOM 1462 O LEU A 96 1.095 -10.594 -10.778 1.00 0.00 O ATOM 1463 CB LEU A 96 3.604 -12.134 -9.387 1.00 0.00 C ATOM 1464 CG LEU A 96 5.023 -12.729 -9.389 1.00 0.00 C ATOM 1465 CD1 LEU A 96 5.227 -13.676 -8.212 1.00 0.00 C ATOM 1466 CD2 LEU A 96 5.304 -13.495 -10.669 1.00 0.00 C ATOM 0 H LEU A 96 4.886 -10.100 -8.905 1.00 0.00 H new ATOM 0 HA LEU A 96 3.490 -10.998 -11.263 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.314 -11.944 -8.354 1.00 0.00 H new ATOM 0 HB3 LEU A 96 2.917 -12.885 -9.778 1.00 0.00 H new ATOM 0 HG LEU A 96 5.710 -11.887 -9.309 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.239 -14.080 -8.241 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.080 -13.133 -7.278 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.508 -14.493 -8.274 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.315 -13.901 -10.635 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.588 -14.311 -10.769 1.00 0.00 H new ATOM 0 HD23 LEU A 96 5.211 -12.824 -11.523 1.00 0.00 H new ATOM 1478 N VAL A 97 1.774 -9.560 -8.883 1.00 0.00 N ATOM 1479 CA VAL A 97 0.507 -8.997 -8.375 1.00 0.00 C ATOM 1480 C VAL A 97 0.797 -8.226 -7.077 1.00 0.00 C ATOM 1481 O VAL A 97 1.925 -8.252 -6.583 1.00 0.00 O ATOM 1482 CB VAL A 97 -0.588 -10.068 -8.197 1.00 0.00 C ATOM 1483 CG1 VAL A 97 -0.244 -11.124 -7.171 1.00 0.00 C ATOM 1484 CG2 VAL A 97 -1.938 -9.500 -7.779 1.00 0.00 C ATOM 0 H VAL A 97 2.554 -9.309 -8.275 1.00 0.00 H new ATOM 0 HA VAL A 97 0.102 -8.307 -9.115 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.649 -10.507 -9.193 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.061 -11.843 -7.101 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.668 -11.640 -7.471 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.091 -10.652 -6.200 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.657 -10.312 -7.673 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.835 -8.980 -6.826 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -2.289 -8.801 -8.538 1.00 0.00 H new ATOM 1494 N ARG A 98 -0.205 -7.568 -6.486 1.00 0.00 N ATOM 1495 CA ARG A 98 -0.154 -6.978 -5.148 1.00 0.00 C ATOM 1496 C ARG A 98 -1.012 -7.711 -4.116 1.00 0.00 C ATOM 1497 O ARG A 98 -2.108 -8.150 -4.456 1.00 0.00 O ATOM 1498 CB ARG A 98 -0.528 -5.489 -5.238 1.00 0.00 C ATOM 1499 CG ARG A 98 -1.985 -5.284 -5.676 1.00 0.00 C ATOM 1500 CD ARG A 98 -2.309 -3.789 -5.788 1.00 0.00 C ATOM 1501 NE ARG A 98 -3.659 -3.556 -6.342 1.00 0.00 N ATOM 1502 CZ ARG A 98 -4.060 -3.737 -7.588 1.00 0.00 C ATOM 1503 NH1 ARG A 98 -3.273 -4.116 -8.549 1.00 0.00 N ATOM 1504 NH2 ARG A 98 -5.301 -3.586 -7.929 1.00 0.00 N ATOM 0 H ARG A 98 -1.106 -7.427 -6.944 1.00 0.00 H new ATOM 0 HA ARG A 98 0.868 -7.082 -4.785 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -0.372 -5.017 -4.268 1.00 0.00 H new ATOM 0 HB3 ARG A 98 0.136 -4.991 -5.945 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -2.154 -5.771 -6.636 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -2.656 -5.754 -4.957 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -2.236 -3.327 -4.803 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -1.568 -3.304 -6.423 1.00 0.00 H new ATOM 0 HE ARG A 98 -4.363 -3.216 -5.687 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -2.286 -4.291 -8.361 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -3.642 -4.239 -9.492 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -5.994 -3.321 -7.229 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -5.585 -3.732 -8.898 1.00 0.00 H new ATOM 1518 N VAL A 99 -0.573 -7.790 -2.859 1.00 0.00 N ATOM 1519 CA VAL A 99 -1.326 -8.434 -1.762 1.00 0.00 C ATOM 1520 C VAL A 99 -1.595 -7.375 -0.696 1.00 0.00 C ATOM 1521 O VAL A 99 -0.726 -6.552 -0.389 1.00 0.00 O ATOM 1522 CB VAL A 99 -0.598 -9.673 -1.189 1.00 0.00 C ATOM 1523 CG1 VAL A 99 -1.594 -10.550 -0.432 1.00 0.00 C ATOM 1524 CG2 VAL A 99 0.048 -10.544 -2.278 1.00 0.00 C ATOM 0 H VAL A 99 0.325 -7.407 -2.562 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.270 -8.820 -2.146 1.00 0.00 H new ATOM 0 HB VAL A 99 0.188 -9.293 -0.536 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.078 -11.422 -0.030 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -2.034 -9.979 0.386 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.382 -10.876 -1.111 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.543 -11.397 -1.815 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.721 -10.899 -2.964 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.781 -9.954 -2.829 1.00 0.00 H new ATOM 1534 N THR A 100 -2.825 -7.313 -0.195 1.00 0.00 N ATOM 1535 CA THR A 100 -3.292 -6.204 0.642 1.00 0.00 C ATOM 1536 C THR A 100 -4.203 -6.649 1.790 1.00 0.00 C ATOM 1537 O THR A 100 -5.259 -7.237 1.573 1.00 0.00 O ATOM 1538 CB THR A 100 -3.847 -5.098 -0.282 1.00 0.00 C ATOM 1539 OG1 THR A 100 -3.594 -3.844 0.315 1.00 0.00 O ATOM 1540 CG2 THR A 100 -5.336 -5.197 -0.611 1.00 0.00 C ATOM 0 H THR A 100 -3.531 -8.031 -0.357 1.00 0.00 H new ATOM 0 HA THR A 100 -2.458 -5.770 1.193 1.00 0.00 H new ATOM 0 HB THR A 100 -3.332 -5.225 -1.234 1.00 0.00 H new ATOM 0 HG1 THR A 100 -3.940 -3.131 -0.262 1.00 0.00 H new ATOM 0 HG21 THR A 100 -5.620 -4.372 -1.265 1.00 0.00 H new ATOM 0 HG22 THR A 100 -5.536 -6.144 -1.113 1.00 0.00 H new ATOM 0 HG23 THR A 100 -5.916 -5.146 0.310 1.00 0.00 H new ATOM 1548 N ASN A 101 -3.775 -6.452 3.039 1.00 0.00 N ATOM 1549 CA ASN A 101 -4.508 -6.915 4.221 1.00 0.00 C ATOM 1550 C ASN A 101 -5.819 -6.123 4.422 1.00 0.00 C ATOM 1551 O ASN A 101 -5.860 -4.900 4.261 1.00 0.00 O ATOM 1552 CB ASN A 101 -3.592 -6.827 5.454 1.00 0.00 C ATOM 1553 CG ASN A 101 -4.327 -7.204 6.729 1.00 0.00 C ATOM 1554 OD1 ASN A 101 -4.620 -6.368 7.570 1.00 0.00 O ATOM 1555 ND2 ASN A 101 -4.706 -8.454 6.885 1.00 0.00 N ATOM 0 H ASN A 101 -2.907 -5.965 3.261 1.00 0.00 H new ATOM 0 HA ASN A 101 -4.798 -7.955 4.074 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -2.736 -7.488 5.319 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -3.201 -5.814 5.545 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -5.244 -8.725 7.708 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -4.462 -9.152 6.183 1.00 0.00 H new