USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 836 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 41 ASN : amide:sc= 1.02 K(o=1.3,f=0.66) USER MOD Set 1.2: A 55 THR OG1 : rot 180:sc= 0.265 USER MOD Set 2.1: A 16 SER OG : rot 130:sc= 0.13 USER MOD Set 2.2: A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ -105:sc= 0.0516 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot -100:sc= -0.0947 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.147 X(o=-0.15,f=0) USER MOD Single : A 23 TYR OH : rot -162:sc= 0.0481 USER MOD Single : A 27 SER OG : rot -22:sc= 0.0513 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -152:sc= 0.663 USER MOD Single : A 34 TYR OH : rot 177:sc= 0.0189 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0124 USER MOD Single : A 37 ASN : amide:sc= -0.0358 X(o=-0.036,f=-0.48) USER MOD Single : A 39 THR OG1 : rot -150:sc= 0.0854 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc=-0.00501 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -152:sc= 1.02 (180deg=0.526) USER MOD Single : A 76 THR OG1 : rot 123:sc= 1.29 USER MOD Single : A 83 GLN :FLIP amide:sc= 0 F(o=-0.71,f=0) USER MOD Single : A 84 THR OG1 : rot 65:sc= 1.23 USER MOD Single : A 89 ASN : amide:sc= 0.217 X(o=0.22,f=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 ASN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.004) USER MOD Single : A 99 SER OG : rot -51:sc=0.000169 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.00712 USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -4.248 -7.749 -3.835 1.00 0.00 N ATOM 2 CA ALA A 1 -2.779 -7.487 -3.870 1.00 0.00 C ATOM 3 C ALA A 1 -2.465 -6.066 -4.380 1.00 0.00 C ATOM 4 O ALA A 1 -3.302 -5.439 -5.031 1.00 0.00 O ATOM 5 CB ALA A 1 -2.042 -8.556 -4.707 1.00 0.00 C ATOM 0 H1 ALA A 1 -4.583 -7.717 -2.851 1.00 0.00 H new ATOM 0 H2 ALA A 1 -4.743 -7.025 -4.393 1.00 0.00 H new ATOM 0 H3 ALA A 1 -4.443 -8.688 -4.236 1.00 0.00 H new ATOM 0 HA ALA A 1 -2.413 -7.552 -2.845 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -0.974 -8.339 -4.715 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -2.210 -9.540 -4.269 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -2.422 -8.544 -5.729 1.00 0.00 H new ATOM 13 N VAL A 2 -1.254 -5.554 -4.096 1.00 0.00 N ATOM 14 CA VAL A 2 -0.782 -4.223 -4.559 1.00 0.00 C ATOM 15 C VAL A 2 0.669 -4.227 -5.072 1.00 0.00 C ATOM 16 O VAL A 2 0.979 -3.530 -6.038 1.00 0.00 O ATOM 17 CB VAL A 2 -1.019 -3.161 -3.462 1.00 0.00 C ATOM 18 CG1 VAL A 2 -0.167 -3.367 -2.202 1.00 0.00 C ATOM 19 CG2 VAL A 2 -0.801 -1.733 -3.976 1.00 0.00 C ATOM 0 H VAL A 2 -0.564 -6.052 -3.534 1.00 0.00 H new ATOM 0 HA VAL A 2 -1.380 -3.956 -5.431 1.00 0.00 H new ATOM 0 HB VAL A 2 -2.065 -3.296 -3.186 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.390 -2.582 -1.479 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.394 -4.339 -1.764 1.00 0.00 H new ATOM 0 HG13 VAL A 2 0.890 -3.326 -2.467 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -0.980 -1.024 -3.168 1.00 0.00 H new ATOM 0 HG22 VAL A 2 0.224 -1.627 -4.332 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -1.492 -1.532 -4.795 1.00 0.00 H new ATOM 29 N GLU A 3 1.553 -5.041 -4.482 1.00 0.00 N ATOM 30 CA GLU A 3 2.958 -5.194 -4.893 1.00 0.00 C ATOM 31 C GLU A 3 3.417 -6.652 -4.703 1.00 0.00 C ATOM 32 O GLU A 3 3.322 -7.199 -3.601 1.00 0.00 O ATOM 33 CB GLU A 3 3.824 -4.216 -4.079 1.00 0.00 C ATOM 34 CG GLU A 3 5.292 -4.214 -4.514 1.00 0.00 C ATOM 35 CD GLU A 3 6.099 -3.199 -3.683 1.00 0.00 C ATOM 36 OE1 GLU A 3 6.648 -3.577 -2.618 1.00 0.00 O ATOM 37 OE2 GLU A 3 6.193 -2.012 -4.086 1.00 0.00 O ATOM 0 H GLU A 3 1.307 -5.628 -3.685 1.00 0.00 H new ATOM 0 HA GLU A 3 3.065 -4.958 -5.952 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.419 -3.209 -4.181 1.00 0.00 H new ATOM 0 HB3 GLU A 3 3.764 -4.478 -3.023 1.00 0.00 H new ATOM 0 HG2 GLU A 3 5.715 -5.211 -4.392 1.00 0.00 H new ATOM 0 HG3 GLU A 3 5.363 -3.965 -5.573 1.00 0.00 H new ATOM 44 N VAL A 4 3.902 -7.285 -5.780 1.00 0.00 N ATOM 45 CA VAL A 4 4.355 -8.693 -5.811 1.00 0.00 C ATOM 46 C VAL A 4 5.597 -8.810 -6.709 1.00 0.00 C ATOM 47 O VAL A 4 5.727 -8.080 -7.691 1.00 0.00 O ATOM 48 CB VAL A 4 3.225 -9.634 -6.305 1.00 0.00 C ATOM 49 CG1 VAL A 4 3.600 -11.119 -6.170 1.00 0.00 C ATOM 50 CG2 VAL A 4 1.905 -9.453 -5.539 1.00 0.00 C ATOM 0 H VAL A 4 3.995 -6.822 -6.684 1.00 0.00 H new ATOM 0 HA VAL A 4 4.615 -9.002 -4.799 1.00 0.00 H new ATOM 0 HB VAL A 4 3.094 -9.355 -7.350 1.00 0.00 H new ATOM 0 HG11 VAL A 4 2.776 -11.736 -6.529 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.492 -11.324 -6.762 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.798 -11.351 -5.123 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.158 -10.141 -5.934 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.067 -9.661 -4.481 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.553 -8.428 -5.657 1.00 0.00 H new ATOM 60 N GLU A 5 6.493 -9.757 -6.417 1.00 0.00 N ATOM 61 CA GLU A 5 7.733 -10.050 -7.167 1.00 0.00 C ATOM 62 C GLU A 5 7.506 -10.755 -8.534 1.00 0.00 C ATOM 63 O GLU A 5 8.204 -11.702 -8.903 1.00 0.00 O ATOM 64 CB GLU A 5 8.732 -10.779 -6.243 1.00 0.00 C ATOM 65 CG GLU A 5 8.219 -12.115 -5.675 1.00 0.00 C ATOM 66 CD GLU A 5 9.293 -12.785 -4.797 1.00 0.00 C ATOM 67 OE1 GLU A 5 9.343 -12.509 -3.572 1.00 0.00 O ATOM 68 OE2 GLU A 5 10.090 -13.605 -5.316 1.00 0.00 O ATOM 0 H GLU A 5 6.374 -10.374 -5.614 1.00 0.00 H new ATOM 0 HA GLU A 5 8.175 -9.099 -7.463 1.00 0.00 H new ATOM 0 HB2 GLU A 5 9.652 -10.964 -6.798 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.987 -10.120 -5.413 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.318 -11.943 -5.087 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.944 -12.781 -6.493 1.00 0.00 H new ATOM 75 N VAL A 6 6.505 -10.293 -9.293 1.00 0.00 N ATOM 76 CA VAL A 6 6.097 -10.833 -10.604 1.00 0.00 C ATOM 77 C VAL A 6 7.158 -10.627 -11.706 1.00 0.00 C ATOM 78 O VAL A 6 7.523 -11.624 -12.341 1.00 0.00 O ATOM 79 CB VAL A 6 4.706 -10.288 -11.000 1.00 0.00 C ATOM 80 CG1 VAL A 6 4.331 -10.550 -12.464 1.00 0.00 C ATOM 81 CG2 VAL A 6 3.622 -10.938 -10.130 1.00 0.00 C ATOM 0 H VAL A 6 5.932 -9.501 -9.003 1.00 0.00 H new ATOM 0 HA VAL A 6 6.016 -11.915 -10.500 1.00 0.00 H new ATOM 0 HB VAL A 6 4.764 -9.210 -10.851 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.342 -10.138 -12.666 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.062 -10.074 -13.118 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.322 -11.624 -12.651 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.645 -10.549 -10.415 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.639 -12.018 -10.275 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.812 -10.709 -9.081 1.00 0.00 H new ATOM 91 N PRO A 7 7.677 -9.405 -11.972 1.00 0.00 N ATOM 92 CA PRO A 7 8.694 -9.197 -13.004 1.00 0.00 C ATOM 93 C PRO A 7 10.112 -9.573 -12.529 1.00 0.00 C ATOM 94 O PRO A 7 10.376 -9.763 -11.338 1.00 0.00 O ATOM 95 CB PRO A 7 8.601 -7.713 -13.365 1.00 0.00 C ATOM 96 CG PRO A 7 8.258 -7.088 -12.016 1.00 0.00 C ATOM 97 CD PRO A 7 7.303 -8.114 -11.400 1.00 0.00 C ATOM 0 HA PRO A 7 8.513 -9.843 -13.863 1.00 0.00 H new ATOM 0 HB2 PRO A 7 9.539 -7.330 -13.767 1.00 0.00 H new ATOM 0 HB3 PRO A 7 7.832 -7.521 -14.113 1.00 0.00 H new ATOM 0 HG2 PRO A 7 9.146 -6.941 -11.401 1.00 0.00 H new ATOM 0 HG3 PRO A 7 7.785 -6.113 -12.131 1.00 0.00 H new ATOM 0 HD2 PRO A 7 7.393 -8.128 -10.314 1.00 0.00 H new ATOM 0 HD3 PRO A 7 6.266 -7.870 -11.631 1.00 0.00 H new ATOM 105 N GLY A 8 11.036 -9.634 -13.490 1.00 0.00 N ATOM 106 CA GLY A 8 12.469 -9.889 -13.276 1.00 0.00 C ATOM 107 C GLY A 8 13.105 -10.745 -14.378 1.00 0.00 C ATOM 108 O GLY A 8 12.464 -11.652 -14.912 1.00 0.00 O ATOM 0 H GLY A 8 10.803 -9.503 -14.474 1.00 0.00 H new ATOM 0 HA2 GLY A 8 12.995 -8.936 -13.217 1.00 0.00 H new ATOM 0 HA3 GLY A 8 12.603 -10.387 -12.316 1.00 0.00 H new ATOM 112 N LEU A 9 14.368 -10.454 -14.728 1.00 0.00 N ATOM 113 CA LEU A 9 15.154 -11.218 -15.717 1.00 0.00 C ATOM 114 C LEU A 9 16.654 -11.346 -15.359 1.00 0.00 C ATOM 115 O LEU A 9 17.510 -11.378 -16.243 1.00 0.00 O ATOM 116 CB LEU A 9 14.836 -10.744 -17.158 1.00 0.00 C ATOM 117 CG LEU A 9 15.003 -9.252 -17.516 1.00 0.00 C ATOM 118 CD1 LEU A 9 16.452 -8.788 -17.639 1.00 0.00 C ATOM 119 CD2 LEU A 9 14.331 -8.964 -18.859 1.00 0.00 C ATOM 0 H LEU A 9 14.882 -9.670 -14.327 1.00 0.00 H new ATOM 0 HA LEU A 9 14.829 -12.258 -15.677 1.00 0.00 H new ATOM 0 HB2 LEU A 9 15.467 -11.317 -17.838 1.00 0.00 H new ATOM 0 HB3 LEU A 9 13.803 -11.019 -17.373 1.00 0.00 H new ATOM 0 HG LEU A 9 14.545 -8.711 -16.688 1.00 0.00 H new ATOM 0 HD11 LEU A 9 16.474 -7.728 -17.893 1.00 0.00 H new ATOM 0 HD12 LEU A 9 16.966 -8.945 -16.691 1.00 0.00 H new ATOM 0 HD13 LEU A 9 16.952 -9.359 -18.422 1.00 0.00 H new ATOM 0 HD21 LEU A 9 14.452 -7.910 -19.107 1.00 0.00 H new ATOM 0 HD22 LEU A 9 14.792 -9.575 -19.635 1.00 0.00 H new ATOM 0 HD23 LEU A 9 13.269 -9.202 -18.793 1.00 0.00 H new ATOM 131 N LEU A 10 16.971 -11.450 -14.057 1.00 0.00 N ATOM 132 CA LEU A 10 18.333 -11.741 -13.590 1.00 0.00 C ATOM 133 C LEU A 10 18.782 -13.087 -14.174 1.00 0.00 C ATOM 134 O LEU A 10 18.154 -14.121 -13.929 1.00 0.00 O ATOM 135 CB LEU A 10 18.416 -11.763 -12.047 1.00 0.00 C ATOM 136 CG LEU A 10 18.421 -10.374 -11.379 1.00 0.00 C ATOM 137 CD1 LEU A 10 17.805 -10.439 -9.981 1.00 0.00 C ATOM 138 CD2 LEU A 10 19.839 -9.822 -11.209 1.00 0.00 C ATOM 0 H LEU A 10 16.293 -11.335 -13.304 1.00 0.00 H new ATOM 0 HA LEU A 10 18.997 -10.948 -13.933 1.00 0.00 H new ATOM 0 HB2 LEU A 10 17.572 -12.333 -11.660 1.00 0.00 H new ATOM 0 HB3 LEU A 10 19.321 -12.295 -11.754 1.00 0.00 H new ATOM 0 HG LEU A 10 17.843 -9.726 -12.037 1.00 0.00 H new ATOM 0 HD11 LEU A 10 17.820 -9.447 -9.530 1.00 0.00 H new ATOM 0 HD12 LEU A 10 16.775 -10.789 -10.053 1.00 0.00 H new ATOM 0 HD13 LEU A 10 18.380 -11.127 -9.362 1.00 0.00 H new ATOM 0 HD21 LEU A 10 19.793 -8.842 -10.734 1.00 0.00 H new ATOM 0 HD22 LEU A 10 20.421 -10.500 -10.585 1.00 0.00 H new ATOM 0 HD23 LEU A 10 20.313 -9.730 -12.186 1.00 0.00 H new ATOM 150 N THR A 11 19.879 -13.054 -14.929 1.00 0.00 N ATOM 151 CA THR A 11 20.531 -14.239 -15.494 1.00 0.00 C ATOM 152 C THR A 11 21.968 -14.339 -14.998 1.00 0.00 C ATOM 153 O THR A 11 22.702 -13.349 -14.955 1.00 0.00 O ATOM 154 CB THR A 11 20.456 -14.249 -17.032 1.00 0.00 C ATOM 155 OG1 THR A 11 19.110 -14.412 -17.436 1.00 0.00 O ATOM 156 CG2 THR A 11 21.256 -15.381 -17.684 1.00 0.00 C ATOM 0 H THR A 11 20.352 -12.183 -15.172 1.00 0.00 H new ATOM 0 HA THR A 11 19.992 -15.121 -15.149 1.00 0.00 H new ATOM 0 HB THR A 11 20.882 -13.299 -17.354 1.00 0.00 H new ATOM 0 HG1 THR A 11 19.061 -14.417 -18.415 1.00 0.00 H new ATOM 0 HG21 THR A 11 21.154 -15.321 -18.768 1.00 0.00 H new ATOM 0 HG22 THR A 11 22.307 -15.286 -17.413 1.00 0.00 H new ATOM 0 HG23 THR A 11 20.877 -16.342 -17.336 1.00 0.00 H new ATOM 164 N ASP A 12 22.384 -15.550 -14.641 1.00 0.00 N ATOM 165 CA ASP A 12 23.744 -15.907 -14.252 1.00 0.00 C ATOM 166 C ASP A 12 24.677 -15.988 -15.477 1.00 0.00 C ATOM 167 O ASP A 12 25.170 -17.054 -15.851 1.00 0.00 O ATOM 168 CB ASP A 12 23.720 -17.193 -13.403 1.00 0.00 C ATOM 169 CG ASP A 12 23.150 -18.433 -14.127 1.00 0.00 C ATOM 170 OD1 ASP A 12 22.012 -18.369 -14.659 1.00 0.00 O ATOM 171 OD2 ASP A 12 23.808 -19.502 -14.110 1.00 0.00 O ATOM 0 H ASP A 12 21.750 -16.349 -14.614 1.00 0.00 H new ATOM 0 HA ASP A 12 24.164 -15.119 -13.626 1.00 0.00 H new ATOM 0 HB2 ASP A 12 24.736 -17.415 -13.076 1.00 0.00 H new ATOM 0 HB3 ASP A 12 23.129 -17.009 -12.506 1.00 0.00 H new ATOM 176 N HIS A 13 24.935 -14.837 -16.117 1.00 0.00 N ATOM 177 CA HIS A 13 25.876 -14.737 -17.250 1.00 0.00 C ATOM 178 C HIS A 13 27.351 -14.874 -16.819 1.00 0.00 C ATOM 179 O HIS A 13 28.262 -14.808 -17.646 1.00 0.00 O ATOM 180 CB HIS A 13 25.658 -13.411 -18.007 1.00 0.00 C ATOM 181 CG HIS A 13 25.657 -13.566 -19.508 1.00 0.00 C ATOM 182 ND1 HIS A 13 26.696 -13.204 -20.371 1.00 0.00 N ATOM 183 CD2 HIS A 13 24.630 -14.084 -20.246 1.00 0.00 C ATOM 184 CE1 HIS A 13 26.272 -13.514 -21.609 1.00 0.00 C ATOM 185 NE2 HIS A 13 25.037 -14.044 -21.562 1.00 0.00 N ATOM 0 H HIS A 13 24.499 -13.949 -15.866 1.00 0.00 H new ATOM 0 HA HIS A 13 25.665 -15.576 -17.913 1.00 0.00 H new ATOM 0 HB2 HIS A 13 24.709 -12.976 -17.694 1.00 0.00 H new ATOM 0 HB3 HIS A 13 26.441 -12.707 -17.723 1.00 0.00 H new ATOM 0 HD2 HIS A 13 23.686 -14.452 -19.872 1.00 0.00 H new ATOM 0 HE1 HIS A 13 26.843 -13.359 -22.513 1.00 0.00 H new ATOM 0 HE2 HIS A 13 24.494 -14.362 -22.364 1.00 0.00 H new ATOM 193 N THR A 14 27.600 -15.005 -15.514 1.00 0.00 N ATOM 194 CA THR A 14 28.905 -14.827 -14.882 1.00 0.00 C ATOM 195 C THR A 14 29.705 -16.136 -14.767 1.00 0.00 C ATOM 196 O THR A 14 29.144 -17.191 -14.464 1.00 0.00 O ATOM 197 CB THR A 14 28.732 -14.121 -13.527 1.00 0.00 C ATOM 198 OG1 THR A 14 27.862 -14.847 -12.696 1.00 0.00 O ATOM 199 CG2 THR A 14 28.091 -12.737 -13.637 1.00 0.00 C ATOM 0 H THR A 14 26.869 -15.247 -14.845 1.00 0.00 H new ATOM 0 HA THR A 14 29.507 -14.191 -15.531 1.00 0.00 H new ATOM 0 HB THR A 14 29.745 -14.044 -13.131 1.00 0.00 H new ATOM 0 HG1 THR A 14 26.971 -14.439 -12.719 1.00 0.00 H new ATOM 0 HG21 THR A 14 28.000 -12.298 -12.643 1.00 0.00 H new ATOM 0 HG22 THR A 14 28.714 -12.096 -14.261 1.00 0.00 H new ATOM 0 HG23 THR A 14 27.102 -12.829 -14.085 1.00 0.00 H new ATOM 207 N VAL A 15 31.023 -16.083 -15.025 1.00 0.00 N ATOM 208 CA VAL A 15 31.904 -17.274 -15.144 1.00 0.00 C ATOM 209 C VAL A 15 33.265 -17.115 -14.423 1.00 0.00 C ATOM 210 O VAL A 15 34.301 -17.635 -14.843 1.00 0.00 O ATOM 211 CB VAL A 15 31.977 -17.724 -16.627 1.00 0.00 C ATOM 212 CG1 VAL A 15 32.768 -16.799 -17.557 1.00 0.00 C ATOM 213 CG2 VAL A 15 32.456 -19.172 -16.792 1.00 0.00 C ATOM 0 H VAL A 15 31.520 -15.203 -15.160 1.00 0.00 H new ATOM 0 HA VAL A 15 31.456 -18.100 -14.592 1.00 0.00 H new ATOM 0 HB VAL A 15 30.937 -17.658 -16.948 1.00 0.00 H new ATOM 0 HG11 VAL A 15 32.757 -17.204 -18.569 1.00 0.00 H new ATOM 0 HG12 VAL A 15 32.313 -15.808 -17.558 1.00 0.00 H new ATOM 0 HG13 VAL A 15 33.798 -16.725 -17.207 1.00 0.00 H new ATOM 0 HG21 VAL A 15 32.486 -19.427 -17.851 1.00 0.00 H new ATOM 0 HG22 VAL A 15 33.454 -19.276 -16.366 1.00 0.00 H new ATOM 0 HG23 VAL A 15 31.769 -19.843 -16.276 1.00 0.00 H new ATOM 223 N SER A 16 33.250 -16.417 -13.283 1.00 0.00 N ATOM 224 CA SER A 16 34.422 -16.113 -12.437 1.00 0.00 C ATOM 225 C SER A 16 34.253 -16.665 -11.014 1.00 0.00 C ATOM 226 O SER A 16 33.135 -16.734 -10.506 1.00 0.00 O ATOM 227 CB SER A 16 34.651 -14.599 -12.441 1.00 0.00 C ATOM 228 OG SER A 16 35.313 -14.171 -11.263 1.00 0.00 O ATOM 0 H SER A 16 32.386 -16.029 -12.903 1.00 0.00 H new ATOM 0 HA SER A 16 35.302 -16.608 -12.847 1.00 0.00 H new ATOM 0 HB2 SER A 16 35.243 -14.322 -13.313 1.00 0.00 H new ATOM 0 HB3 SER A 16 33.694 -14.085 -12.529 1.00 0.00 H new ATOM 0 HG SER A 16 36.079 -13.609 -11.504 1.00 0.00 H new ATOM 234 N SER A 17 35.356 -16.995 -10.332 1.00 0.00 N ATOM 235 CA SER A 17 35.357 -17.483 -8.940 1.00 0.00 C ATOM 236 C SER A 17 34.739 -16.490 -7.938 1.00 0.00 C ATOM 237 O SER A 17 34.136 -16.911 -6.949 1.00 0.00 O ATOM 238 CB SER A 17 36.791 -17.815 -8.515 1.00 0.00 C ATOM 239 OG SER A 17 37.631 -16.677 -8.661 1.00 0.00 O ATOM 0 H SER A 17 36.291 -16.931 -10.735 1.00 0.00 H new ATOM 0 HA SER A 17 34.730 -18.374 -8.922 1.00 0.00 H new ATOM 0 HB2 SER A 17 36.801 -18.150 -7.478 1.00 0.00 H new ATOM 0 HB3 SER A 17 37.174 -18.637 -9.119 1.00 0.00 H new ATOM 0 HG SER A 17 38.543 -16.906 -8.384 1.00 0.00 H new ATOM 245 N ILE A 18 34.834 -15.184 -8.217 1.00 0.00 N ATOM 246 CA ILE A 18 34.111 -14.101 -7.521 1.00 0.00 C ATOM 247 C ILE A 18 32.839 -13.688 -8.274 1.00 0.00 C ATOM 248 O ILE A 18 31.791 -13.516 -7.658 1.00 0.00 O ATOM 249 CB ILE A 18 35.029 -12.879 -7.241 1.00 0.00 C ATOM 250 CG1 ILE A 18 36.118 -12.722 -8.323 1.00 0.00 C ATOM 251 CG2 ILE A 18 35.642 -12.997 -5.836 1.00 0.00 C ATOM 252 CD1 ILE A 18 36.852 -11.392 -8.382 1.00 0.00 C ATOM 0 H ILE A 18 35.438 -14.835 -8.961 1.00 0.00 H new ATOM 0 HA ILE A 18 33.800 -14.499 -6.555 1.00 0.00 H new ATOM 0 HB ILE A 18 34.420 -11.976 -7.280 1.00 0.00 H new ATOM 0 HG12 ILE A 18 36.857 -13.509 -8.175 1.00 0.00 H new ATOM 0 HG13 ILE A 18 35.656 -12.896 -9.295 1.00 0.00 H new ATOM 0 HG21 ILE A 18 36.284 -12.137 -5.646 1.00 0.00 H new ATOM 0 HG22 ILE A 18 34.845 -13.026 -5.093 1.00 0.00 H new ATOM 0 HG23 ILE A 18 36.231 -13.912 -5.772 1.00 0.00 H new ATOM 0 HD11 ILE A 18 37.588 -11.418 -9.186 1.00 0.00 H new ATOM 0 HD12 ILE A 18 36.138 -10.590 -8.570 1.00 0.00 H new ATOM 0 HD13 ILE A 18 37.357 -11.213 -7.433 1.00 0.00 H new ATOM 264 N GLY A 19 32.873 -13.558 -9.606 1.00 0.00 N ATOM 265 CA GLY A 19 31.720 -13.054 -10.373 1.00 0.00 C ATOM 266 C GLY A 19 30.502 -13.988 -10.378 1.00 0.00 C ATOM 267 O GLY A 19 29.368 -13.515 -10.438 1.00 0.00 O ATOM 0 H GLY A 19 33.684 -13.794 -10.177 1.00 0.00 H new ATOM 0 HA2 GLY A 19 31.421 -12.089 -9.963 1.00 0.00 H new ATOM 0 HA3 GLY A 19 32.033 -12.880 -11.403 1.00 0.00 H new ATOM 271 N HIS A 20 30.702 -15.302 -10.242 1.00 0.00 N ATOM 272 CA HIS A 20 29.612 -16.272 -10.052 1.00 0.00 C ATOM 273 C HIS A 20 28.907 -16.062 -8.704 1.00 0.00 C ATOM 274 O HIS A 20 27.681 -16.068 -8.631 1.00 0.00 O ATOM 275 CB HIS A 20 30.167 -17.701 -10.175 1.00 0.00 C ATOM 276 CG HIS A 20 29.140 -18.808 -10.054 1.00 0.00 C ATOM 277 ND1 HIS A 20 29.426 -20.138 -9.731 1.00 0.00 N ATOM 278 CD2 HIS A 20 27.794 -18.690 -10.258 1.00 0.00 C ATOM 279 CE1 HIS A 20 28.249 -20.787 -9.745 1.00 0.00 C ATOM 280 NE2 HIS A 20 27.251 -19.941 -10.059 1.00 0.00 N ATOM 0 H HIS A 20 31.629 -15.728 -10.260 1.00 0.00 H new ATOM 0 HA HIS A 20 28.864 -16.117 -10.830 1.00 0.00 H new ATOM 0 HB2 HIS A 20 30.668 -17.797 -11.138 1.00 0.00 H new ATOM 0 HB3 HIS A 20 30.925 -17.846 -9.406 1.00 0.00 H new ATOM 0 HD2 HIS A 20 27.259 -17.790 -10.524 1.00 0.00 H new ATOM 0 HE1 HIS A 20 28.122 -21.839 -9.534 1.00 0.00 H new ATOM 0 HE2 HIS A 20 26.263 -20.184 -10.136 1.00 0.00 H new ATOM 288 N ASP A 21 29.664 -15.778 -7.645 1.00 0.00 N ATOM 289 CA ASP A 21 29.101 -15.485 -6.328 1.00 0.00 C ATOM 290 C ASP A 21 28.438 -14.103 -6.278 1.00 0.00 C ATOM 291 O ASP A 21 27.426 -13.962 -5.594 1.00 0.00 O ATOM 292 CB ASP A 21 30.164 -15.658 -5.237 1.00 0.00 C ATOM 293 CG ASP A 21 30.283 -17.132 -4.815 1.00 0.00 C ATOM 294 OD1 ASP A 21 29.375 -17.628 -4.104 1.00 0.00 O ATOM 295 OD2 ASP A 21 31.279 -17.803 -5.178 1.00 0.00 O ATOM 0 H ASP A 21 30.683 -15.745 -7.676 1.00 0.00 H new ATOM 0 HA ASP A 21 28.307 -16.207 -6.136 1.00 0.00 H new ATOM 0 HB2 ASP A 21 31.127 -15.301 -5.602 1.00 0.00 H new ATOM 0 HB3 ASP A 21 29.905 -15.048 -4.372 1.00 0.00 H new ATOM 300 N PHE A 22 28.924 -13.100 -7.033 1.00 0.00 N ATOM 301 CA PHE A 22 28.247 -11.797 -7.145 1.00 0.00 C ATOM 302 C PHE A 22 26.802 -11.966 -7.599 1.00 0.00 C ATOM 303 O PHE A 22 25.920 -11.359 -7.007 1.00 0.00 O ATOM 304 CB PHE A 22 28.981 -10.859 -8.113 1.00 0.00 C ATOM 305 CG PHE A 22 28.371 -9.466 -8.190 1.00 0.00 C ATOM 306 CD1 PHE A 22 27.283 -9.233 -9.050 1.00 0.00 C ATOM 307 CD2 PHE A 22 28.846 -8.412 -7.386 1.00 0.00 C ATOM 308 CE1 PHE A 22 26.677 -7.968 -9.119 1.00 0.00 C ATOM 309 CE2 PHE A 22 28.263 -7.133 -7.475 1.00 0.00 C ATOM 310 CZ PHE A 22 27.180 -6.913 -8.342 1.00 0.00 C ATOM 0 H PHE A 22 29.785 -13.169 -7.575 1.00 0.00 H new ATOM 0 HA PHE A 22 28.259 -11.349 -6.151 1.00 0.00 H new ATOM 0 HB2 PHE A 22 30.023 -10.774 -7.804 1.00 0.00 H new ATOM 0 HB3 PHE A 22 28.979 -11.303 -9.108 1.00 0.00 H new ATOM 0 HD1 PHE A 22 26.909 -10.038 -9.666 1.00 0.00 H new ATOM 0 HD2 PHE A 22 29.661 -8.585 -6.698 1.00 0.00 H new ATOM 0 HE1 PHE A 22 25.828 -7.808 -9.767 1.00 0.00 H new ATOM 0 HE2 PHE A 22 28.649 -6.321 -6.876 1.00 0.00 H new ATOM 0 HZ PHE A 22 26.734 -5.932 -8.411 1.00 0.00 H new ATOM 320 N TYR A 23 26.545 -12.819 -8.599 1.00 0.00 N ATOM 321 CA TYR A 23 25.180 -13.108 -9.053 1.00 0.00 C ATOM 322 C TYR A 23 24.276 -13.552 -7.891 1.00 0.00 C ATOM 323 O TYR A 23 23.234 -12.940 -7.643 1.00 0.00 O ATOM 324 CB TYR A 23 25.200 -14.172 -10.162 1.00 0.00 C ATOM 325 CG TYR A 23 23.800 -14.559 -10.592 1.00 0.00 C ATOM 326 CD1 TYR A 23 23.165 -15.676 -10.016 1.00 0.00 C ATOM 327 CD2 TYR A 23 23.097 -13.733 -11.484 1.00 0.00 C ATOM 328 CE1 TYR A 23 21.814 -15.948 -10.306 1.00 0.00 C ATOM 329 CE2 TYR A 23 21.745 -13.991 -11.766 1.00 0.00 C ATOM 330 CZ TYR A 23 21.097 -15.099 -11.178 1.00 0.00 C ATOM 331 OH TYR A 23 19.788 -15.338 -11.460 1.00 0.00 O ATOM 0 H TYR A 23 27.269 -13.323 -9.111 1.00 0.00 H new ATOM 0 HA TYR A 23 24.762 -12.186 -9.457 1.00 0.00 H new ATOM 0 HB2 TYR A 23 25.753 -13.792 -11.021 1.00 0.00 H new ATOM 0 HB3 TYR A 23 25.730 -15.057 -9.808 1.00 0.00 H new ATOM 0 HD1 TYR A 23 23.715 -16.325 -9.351 1.00 0.00 H new ATOM 0 HD2 TYR A 23 23.596 -12.898 -11.954 1.00 0.00 H new ATOM 0 HE1 TYR A 23 21.327 -16.804 -9.863 1.00 0.00 H new ATOM 0 HE2 TYR A 23 21.200 -13.340 -12.434 1.00 0.00 H new ATOM 0 HH TYR A 23 19.532 -14.845 -12.267 1.00 0.00 H new ATOM 341 N ARG A 24 24.712 -14.580 -7.147 1.00 0.00 N ATOM 342 CA ARG A 24 23.939 -15.200 -6.057 1.00 0.00 C ATOM 343 C ARG A 24 23.744 -14.235 -4.884 1.00 0.00 C ATOM 344 O ARG A 24 22.637 -14.082 -4.371 1.00 0.00 O ATOM 345 CB ARG A 24 24.627 -16.495 -5.584 1.00 0.00 C ATOM 346 CG ARG A 24 24.871 -17.492 -6.731 1.00 0.00 C ATOM 347 CD ARG A 24 25.332 -18.867 -6.232 1.00 0.00 C ATOM 348 NE ARG A 24 24.245 -19.602 -5.551 1.00 0.00 N ATOM 349 CZ ARG A 24 24.346 -20.763 -4.925 1.00 0.00 C ATOM 350 NH1 ARG A 24 25.478 -21.405 -4.834 1.00 0.00 N ATOM 351 NH2 ARG A 24 23.300 -21.310 -4.375 1.00 0.00 N ATOM 0 H ARG A 24 25.626 -15.011 -7.287 1.00 0.00 H new ATOM 0 HA ARG A 24 22.951 -15.446 -6.447 1.00 0.00 H new ATOM 0 HB2 ARG A 24 25.579 -16.245 -5.116 1.00 0.00 H new ATOM 0 HB3 ARG A 24 24.012 -16.970 -4.820 1.00 0.00 H new ATOM 0 HG2 ARG A 24 23.953 -17.608 -7.307 1.00 0.00 H new ATOM 0 HG3 ARG A 24 25.623 -17.085 -7.407 1.00 0.00 H new ATOM 0 HD2 ARG A 24 25.695 -19.455 -7.075 1.00 0.00 H new ATOM 0 HD3 ARG A 24 26.170 -18.742 -5.546 1.00 0.00 H new ATOM 0 HE ARG A 24 23.322 -19.169 -5.565 1.00 0.00 H new ATOM 0 HH11 ARG A 24 26.321 -21.013 -5.253 1.00 0.00 H new ATOM 0 HH12 ARG A 24 25.520 -22.298 -4.344 1.00 0.00 H new ATOM 0 HH21 ARG A 24 22.395 -20.843 -4.425 1.00 0.00 H new ATOM 0 HH22 ARG A 24 23.386 -22.205 -3.894 1.00 0.00 H new ATOM 365 N ALA A 25 24.815 -13.547 -4.494 1.00 0.00 N ATOM 366 CA ALA A 25 24.801 -12.571 -3.411 1.00 0.00 C ATOM 367 C ALA A 25 23.956 -11.336 -3.756 1.00 0.00 C ATOM 368 O ALA A 25 23.168 -10.892 -2.927 1.00 0.00 O ATOM 369 CB ALA A 25 26.250 -12.196 -3.084 1.00 0.00 C ATOM 0 H ALA A 25 25.731 -13.655 -4.930 1.00 0.00 H new ATOM 0 HA ALA A 25 24.329 -13.013 -2.533 1.00 0.00 H new ATOM 0 HB1 ALA A 25 26.263 -11.466 -2.275 1.00 0.00 H new ATOM 0 HB2 ALA A 25 26.796 -13.088 -2.777 1.00 0.00 H new ATOM 0 HB3 ALA A 25 26.723 -11.767 -3.967 1.00 0.00 H new ATOM 375 N PHE A 26 24.064 -10.798 -4.974 1.00 0.00 N ATOM 376 CA PHE A 26 23.251 -9.668 -5.420 1.00 0.00 C ATOM 377 C PHE A 26 21.764 -10.036 -5.396 1.00 0.00 C ATOM 378 O PHE A 26 20.976 -9.343 -4.756 1.00 0.00 O ATOM 379 CB PHE A 26 23.728 -9.209 -6.812 1.00 0.00 C ATOM 380 CG PHE A 26 22.945 -8.059 -7.432 1.00 0.00 C ATOM 381 CD1 PHE A 26 21.652 -8.273 -7.951 1.00 0.00 C ATOM 382 CD2 PHE A 26 23.517 -6.773 -7.523 1.00 0.00 C ATOM 383 CE1 PHE A 26 20.929 -7.216 -8.524 1.00 0.00 C ATOM 384 CE2 PHE A 26 22.801 -5.717 -8.120 1.00 0.00 C ATOM 385 CZ PHE A 26 21.502 -5.938 -8.614 1.00 0.00 C ATOM 0 H PHE A 26 24.720 -11.136 -5.678 1.00 0.00 H new ATOM 0 HA PHE A 26 23.374 -8.828 -4.736 1.00 0.00 H new ATOM 0 HB2 PHE A 26 24.775 -8.914 -6.738 1.00 0.00 H new ATOM 0 HB3 PHE A 26 23.684 -10.061 -7.490 1.00 0.00 H new ATOM 0 HD1 PHE A 26 21.214 -9.259 -7.907 1.00 0.00 H new ATOM 0 HD2 PHE A 26 24.509 -6.597 -7.133 1.00 0.00 H new ATOM 0 HE1 PHE A 26 19.930 -7.386 -8.897 1.00 0.00 H new ATOM 0 HE2 PHE A 26 23.249 -4.737 -8.199 1.00 0.00 H new ATOM 0 HZ PHE A 26 20.947 -5.126 -9.061 1.00 0.00 H new ATOM 395 N SER A 27 21.373 -11.148 -6.027 1.00 0.00 N ATOM 396 CA SER A 27 19.962 -11.556 -6.122 1.00 0.00 C ATOM 397 C SER A 27 19.342 -11.909 -4.759 1.00 0.00 C ATOM 398 O SER A 27 18.146 -11.684 -4.557 1.00 0.00 O ATOM 399 CB SER A 27 19.785 -12.715 -7.110 1.00 0.00 C ATOM 400 OG SER A 27 20.362 -13.914 -6.620 1.00 0.00 O ATOM 0 H SER A 27 22.020 -11.790 -6.485 1.00 0.00 H new ATOM 0 HA SER A 27 19.422 -10.687 -6.498 1.00 0.00 H new ATOM 0 HB2 SER A 27 18.723 -12.873 -7.299 1.00 0.00 H new ATOM 0 HB3 SER A 27 20.244 -12.454 -8.064 1.00 0.00 H new ATOM 0 HG SER A 27 21.045 -13.699 -5.951 1.00 0.00 H new ATOM 406 N ASP A 28 20.145 -12.376 -3.796 1.00 0.00 N ATOM 407 CA ASP A 28 19.721 -12.638 -2.416 1.00 0.00 C ATOM 408 C ASP A 28 19.288 -11.367 -1.656 1.00 0.00 C ATOM 409 O ASP A 28 18.380 -11.451 -0.822 1.00 0.00 O ATOM 410 CB ASP A 28 20.856 -13.340 -1.646 1.00 0.00 C ATOM 411 CG ASP A 28 20.884 -14.878 -1.774 1.00 0.00 C ATOM 412 OD1 ASP A 28 19.852 -15.507 -2.116 1.00 0.00 O ATOM 413 OD2 ASP A 28 21.933 -15.480 -1.436 1.00 0.00 O ATOM 0 H ASP A 28 21.130 -12.587 -3.958 1.00 0.00 H new ATOM 0 HA ASP A 28 18.844 -13.282 -2.477 1.00 0.00 H new ATOM 0 HB2 ASP A 28 21.810 -12.945 -1.996 1.00 0.00 H new ATOM 0 HB3 ASP A 28 20.772 -13.081 -0.591 1.00 0.00 H new ATOM 418 N LYS A 29 19.899 -10.200 -1.936 1.00 0.00 N ATOM 419 CA LYS A 29 19.534 -8.901 -1.317 1.00 0.00 C ATOM 420 C LYS A 29 18.878 -7.881 -2.270 1.00 0.00 C ATOM 421 O LYS A 29 18.525 -6.781 -1.842 1.00 0.00 O ATOM 422 CB LYS A 29 20.672 -8.302 -0.450 1.00 0.00 C ATOM 423 CG LYS A 29 22.127 -8.714 -0.747 1.00 0.00 C ATOM 424 CD LYS A 29 22.593 -10.034 -0.099 1.00 0.00 C ATOM 425 CE LYS A 29 22.573 -9.981 1.440 1.00 0.00 C ATOM 426 NZ LYS A 29 23.093 -11.240 2.054 1.00 0.00 N ATOM 0 H LYS A 29 20.667 -10.126 -2.603 1.00 0.00 H new ATOM 0 HA LYS A 29 18.729 -9.151 -0.626 1.00 0.00 H new ATOM 0 HB2 LYS A 29 20.613 -7.217 -0.532 1.00 0.00 H new ATOM 0 HB3 LYS A 29 20.463 -8.555 0.589 1.00 0.00 H new ATOM 0 HG2 LYS A 29 22.248 -8.798 -1.827 1.00 0.00 H new ATOM 0 HG3 LYS A 29 22.787 -7.914 -0.413 1.00 0.00 H new ATOM 0 HD2 LYS A 29 21.951 -10.847 -0.439 1.00 0.00 H new ATOM 0 HD3 LYS A 29 23.604 -10.263 -0.437 1.00 0.00 H new ATOM 0 HE2 LYS A 29 23.173 -9.137 1.781 1.00 0.00 H new ATOM 0 HE3 LYS A 29 21.553 -9.806 1.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 23.061 -11.160 3.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 22.505 -12.043 1.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 24.075 -11.395 1.749 1.00 0.00 H new ATOM 440 N TRP A 30 18.668 -8.234 -3.537 1.00 0.00 N ATOM 441 CA TRP A 30 18.039 -7.366 -4.539 1.00 0.00 C ATOM 442 C TRP A 30 16.576 -7.017 -4.208 1.00 0.00 C ATOM 443 O TRP A 30 15.749 -7.895 -3.948 1.00 0.00 O ATOM 444 CB TRP A 30 18.140 -8.000 -5.931 1.00 0.00 C ATOM 445 CG TRP A 30 17.500 -7.176 -7.002 1.00 0.00 C ATOM 446 CD1 TRP A 30 16.439 -7.544 -7.755 1.00 0.00 C ATOM 447 CD2 TRP A 30 17.813 -5.805 -7.392 1.00 0.00 C ATOM 448 NE1 TRP A 30 16.077 -6.500 -8.584 1.00 0.00 N ATOM 449 CE2 TRP A 30 16.882 -5.397 -8.393 1.00 0.00 C ATOM 450 CE3 TRP A 30 18.780 -4.861 -6.988 1.00 0.00 C ATOM 451 CZ2 TRP A 30 16.916 -4.119 -8.969 1.00 0.00 C ATOM 452 CZ3 TRP A 30 18.812 -3.571 -7.548 1.00 0.00 C ATOM 453 CH2 TRP A 30 17.889 -3.200 -8.540 1.00 0.00 C ATOM 0 H TRP A 30 18.934 -9.147 -3.906 1.00 0.00 H new ATOM 0 HA TRP A 30 18.589 -6.425 -4.527 1.00 0.00 H new ATOM 0 HB2 TRP A 30 19.191 -8.153 -6.178 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.671 -8.984 -5.910 1.00 0.00 H new ATOM 0 HD1 TRP A 30 15.950 -8.506 -7.715 1.00 0.00 H new ATOM 0 HE1 TRP A 30 15.309 -6.540 -9.254 1.00 0.00 H new ATOM 0 HE3 TRP A 30 19.507 -5.133 -6.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 16.203 -3.844 -9.733 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 19.552 -2.860 -7.213 1.00 0.00 H new ATOM 0 HH2 TRP A 30 17.927 -2.211 -8.972 1.00 0.00 H new ATOM 464 N GLU A 31 16.262 -5.719 -4.255 1.00 0.00 N ATOM 465 CA GLU A 31 14.917 -5.142 -4.149 1.00 0.00 C ATOM 466 C GLU A 31 14.939 -3.722 -4.750 1.00 0.00 C ATOM 467 O GLU A 31 15.878 -2.960 -4.495 1.00 0.00 O ATOM 468 CB GLU A 31 14.481 -5.098 -2.671 1.00 0.00 C ATOM 469 CG GLU A 31 13.039 -4.611 -2.490 1.00 0.00 C ATOM 470 CD GLU A 31 12.624 -4.679 -1.008 1.00 0.00 C ATOM 471 OE1 GLU A 31 12.064 -5.716 -0.574 1.00 0.00 O ATOM 472 OE2 GLU A 31 12.849 -3.693 -0.262 1.00 0.00 O ATOM 0 H GLU A 31 16.978 -5.003 -4.375 1.00 0.00 H new ATOM 0 HA GLU A 31 14.202 -5.756 -4.697 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.580 -6.093 -2.238 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.153 -4.442 -2.118 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.947 -3.587 -2.852 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.365 -5.223 -3.090 1.00 0.00 H new ATOM 479 N SER A 32 13.920 -3.355 -5.538 1.00 0.00 N ATOM 480 CA SER A 32 13.791 -2.007 -6.118 1.00 0.00 C ATOM 481 C SER A 32 12.332 -1.582 -6.359 1.00 0.00 C ATOM 482 O SER A 32 11.416 -2.407 -6.326 1.00 0.00 O ATOM 483 CB SER A 32 14.599 -1.901 -7.404 1.00 0.00 C ATOM 484 OG SER A 32 14.910 -0.533 -7.611 1.00 0.00 O ATOM 0 H SER A 32 13.159 -3.984 -5.793 1.00 0.00 H new ATOM 0 HA SER A 32 14.193 -1.314 -5.378 1.00 0.00 H new ATOM 0 HB2 SER A 32 15.511 -2.493 -7.331 1.00 0.00 H new ATOM 0 HB3 SER A 32 14.030 -2.295 -8.246 1.00 0.00 H new ATOM 0 HG SER A 32 15.013 -0.363 -8.571 1.00 0.00 H new ATOM 490 N ASP A 33 12.113 -0.285 -6.597 1.00 0.00 N ATOM 491 CA ASP A 33 10.776 0.316 -6.761 1.00 0.00 C ATOM 492 C ASP A 33 10.198 0.174 -8.186 1.00 0.00 C ATOM 493 O ASP A 33 8.978 0.118 -8.366 1.00 0.00 O ATOM 494 CB ASP A 33 10.851 1.793 -6.354 1.00 0.00 C ATOM 495 CG ASP A 33 9.454 2.436 -6.290 1.00 0.00 C ATOM 496 OD1 ASP A 33 8.709 2.158 -5.319 1.00 0.00 O ATOM 497 OD2 ASP A 33 9.107 3.239 -7.189 1.00 0.00 O ATOM 0 H ASP A 33 12.870 0.393 -6.683 1.00 0.00 H new ATOM 0 HA ASP A 33 10.089 -0.232 -6.116 1.00 0.00 H new ATOM 0 HB2 ASP A 33 11.336 1.879 -5.382 1.00 0.00 H new ATOM 0 HB3 ASP A 33 11.470 2.337 -7.068 1.00 0.00 H new ATOM 502 N TYR A 34 11.073 0.093 -9.197 1.00 0.00 N ATOM 503 CA TYR A 34 10.722 -0.083 -10.613 1.00 0.00 C ATOM 504 C TYR A 34 10.475 -1.567 -10.984 1.00 0.00 C ATOM 505 O TYR A 34 10.391 -2.446 -10.123 1.00 0.00 O ATOM 506 CB TYR A 34 11.797 0.595 -11.492 1.00 0.00 C ATOM 507 CG TYR A 34 13.050 -0.233 -11.707 1.00 0.00 C ATOM 508 CD1 TYR A 34 13.330 -0.807 -12.963 1.00 0.00 C ATOM 509 CD2 TYR A 34 13.911 -0.479 -10.626 1.00 0.00 C ATOM 510 CE1 TYR A 34 14.434 -1.665 -13.113 1.00 0.00 C ATOM 511 CE2 TYR A 34 15.004 -1.351 -10.763 1.00 0.00 C ATOM 512 CZ TYR A 34 15.273 -1.947 -12.012 1.00 0.00 C ATOM 513 OH TYR A 34 16.331 -2.786 -12.156 1.00 0.00 O ATOM 0 H TYR A 34 12.080 0.150 -9.046 1.00 0.00 H new ATOM 0 HA TYR A 34 9.768 0.408 -10.804 1.00 0.00 H new ATOM 0 HB2 TYR A 34 11.360 0.828 -12.463 1.00 0.00 H new ATOM 0 HB3 TYR A 34 12.078 1.543 -11.033 1.00 0.00 H new ATOM 0 HD1 TYR A 34 12.697 -0.588 -13.810 1.00 0.00 H new ATOM 0 HD2 TYR A 34 13.731 0.007 -9.679 1.00 0.00 H new ATOM 0 HE1 TYR A 34 14.641 -2.111 -14.075 1.00 0.00 H new ATOM 0 HE2 TYR A 34 15.636 -1.564 -9.914 1.00 0.00 H new ATOM 0 HH TYR A 34 16.830 -2.831 -11.314 1.00 0.00 H new ATOM 523 N THR A 35 10.369 -1.860 -12.284 1.00 0.00 N ATOM 524 CA THR A 35 9.980 -3.170 -12.849 1.00 0.00 C ATOM 525 C THR A 35 11.069 -4.252 -12.723 1.00 0.00 C ATOM 526 O THR A 35 10.819 -5.409 -13.035 1.00 0.00 O ATOM 527 CB THR A 35 9.540 -2.999 -14.322 1.00 0.00 C ATOM 528 OG1 THR A 35 8.946 -1.726 -14.530 1.00 0.00 O ATOM 529 CG2 THR A 35 8.500 -4.033 -14.762 1.00 0.00 C ATOM 0 H THR A 35 10.558 -1.166 -13.007 1.00 0.00 H new ATOM 0 HA THR A 35 9.142 -3.529 -12.252 1.00 0.00 H new ATOM 0 HB THR A 35 10.453 -3.123 -14.904 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.677 -1.640 -15.468 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.233 -3.859 -15.804 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.916 -5.035 -14.656 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.610 -3.942 -14.139 1.00 0.00 H new ATOM 537 N GLY A 36 12.285 -3.926 -12.265 1.00 0.00 N ATOM 538 CA GLY A 36 13.313 -4.926 -11.920 1.00 0.00 C ATOM 539 C GLY A 36 13.870 -5.737 -13.091 1.00 0.00 C ATOM 540 O GLY A 36 14.360 -6.850 -12.905 1.00 0.00 O ATOM 0 H GLY A 36 12.587 -2.962 -12.122 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.141 -4.414 -11.430 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.890 -5.618 -11.191 1.00 0.00 H new ATOM 544 N ASN A 37 13.804 -5.207 -14.312 1.00 0.00 N ATOM 545 CA ASN A 37 14.249 -5.909 -15.523 1.00 0.00 C ATOM 546 C ASN A 37 15.765 -5.765 -15.758 1.00 0.00 C ATOM 547 O ASN A 37 16.207 -5.123 -16.707 1.00 0.00 O ATOM 548 CB ASN A 37 13.415 -5.465 -16.732 1.00 0.00 C ATOM 549 CG ASN A 37 11.917 -5.675 -16.590 1.00 0.00 C ATOM 550 OD1 ASN A 37 11.131 -4.748 -16.693 1.00 0.00 O ATOM 551 ND2 ASN A 37 11.469 -6.892 -16.367 1.00 0.00 N ATOM 0 H ASN A 37 13.438 -4.272 -14.494 1.00 0.00 H new ATOM 0 HA ASN A 37 14.079 -6.976 -15.379 1.00 0.00 H new ATOM 0 HB2 ASN A 37 13.603 -4.407 -16.915 1.00 0.00 H new ATOM 0 HB3 ASN A 37 13.761 -6.007 -17.612 1.00 0.00 H new ATOM 0 HD21 ASN A 37 10.466 -7.059 -16.281 1.00 0.00 H new ATOM 0 HD22 ASN A 37 12.124 -7.669 -16.281 1.00 0.00 H new ATOM 558 N LEU A 38 16.561 -6.365 -14.875 1.00 0.00 N ATOM 559 CA LEU A 38 18.033 -6.303 -14.886 1.00 0.00 C ATOM 560 C LEU A 38 18.723 -7.670 -14.957 1.00 0.00 C ATOM 561 O LEU A 38 18.185 -8.661 -14.476 1.00 0.00 O ATOM 562 CB LEU A 38 18.558 -5.480 -13.695 1.00 0.00 C ATOM 563 CG LEU A 38 18.667 -6.206 -12.334 1.00 0.00 C ATOM 564 CD1 LEU A 38 19.199 -5.239 -11.289 1.00 0.00 C ATOM 565 CD2 LEU A 38 17.344 -6.730 -11.786 1.00 0.00 C ATOM 0 H LEU A 38 16.195 -6.926 -14.106 1.00 0.00 H new ATOM 0 HA LEU A 38 18.296 -5.798 -15.815 1.00 0.00 H new ATOM 0 HB2 LEU A 38 19.545 -5.099 -13.956 1.00 0.00 H new ATOM 0 HB3 LEU A 38 17.906 -4.616 -13.567 1.00 0.00 H new ATOM 0 HG LEU A 38 19.323 -7.056 -12.520 1.00 0.00 H new ATOM 0 HD11 LEU A 38 19.277 -5.748 -10.328 1.00 0.00 H new ATOM 0 HD12 LEU A 38 20.183 -4.882 -11.591 1.00 0.00 H new ATOM 0 HD13 LEU A 38 18.519 -4.392 -11.197 1.00 0.00 H new ATOM 0 HD21 LEU A 38 17.516 -7.224 -10.830 1.00 0.00 H new ATOM 0 HD22 LEU A 38 16.653 -5.898 -11.646 1.00 0.00 H new ATOM 0 HD23 LEU A 38 16.915 -7.443 -12.490 1.00 0.00 H new ATOM 577 N THR A 39 19.942 -7.702 -15.495 1.00 0.00 N ATOM 578 CA THR A 39 20.810 -8.888 -15.548 1.00 0.00 C ATOM 579 C THR A 39 22.273 -8.540 -15.248 1.00 0.00 C ATOM 580 O THR A 39 22.671 -7.375 -15.313 1.00 0.00 O ATOM 581 CB THR A 39 20.649 -9.616 -16.884 1.00 0.00 C ATOM 582 OG1 THR A 39 21.232 -10.889 -16.731 1.00 0.00 O ATOM 583 CG2 THR A 39 21.298 -8.917 -18.073 1.00 0.00 C ATOM 0 H THR A 39 20.370 -6.880 -15.920 1.00 0.00 H new ATOM 0 HA THR A 39 20.493 -9.572 -14.761 1.00 0.00 H new ATOM 0 HB THR A 39 19.584 -9.650 -17.112 1.00 0.00 H new ATOM 0 HG1 THR A 39 21.583 -11.194 -17.594 1.00 0.00 H new ATOM 0 HG21 THR A 39 21.133 -9.505 -18.976 1.00 0.00 H new ATOM 0 HG22 THR A 39 20.857 -7.928 -18.199 1.00 0.00 H new ATOM 0 HG23 THR A 39 22.369 -8.817 -17.896 1.00 0.00 H new ATOM 591 N ILE A 40 23.074 -9.543 -14.883 1.00 0.00 N ATOM 592 CA ILE A 40 24.449 -9.394 -14.381 1.00 0.00 C ATOM 593 C ILE A 40 25.405 -10.097 -15.340 1.00 0.00 C ATOM 594 O ILE A 40 25.223 -11.264 -15.680 1.00 0.00 O ATOM 595 CB ILE A 40 24.567 -9.973 -12.956 1.00 0.00 C ATOM 596 CG1 ILE A 40 23.634 -9.226 -11.975 1.00 0.00 C ATOM 597 CG2 ILE A 40 26.015 -9.947 -12.420 1.00 0.00 C ATOM 598 CD1 ILE A 40 23.379 -10.021 -10.696 1.00 0.00 C ATOM 0 H ILE A 40 22.776 -10.517 -14.929 1.00 0.00 H new ATOM 0 HA ILE A 40 24.710 -8.337 -14.329 1.00 0.00 H new ATOM 0 HB ILE A 40 24.260 -11.017 -13.025 1.00 0.00 H new ATOM 0 HG12 ILE A 40 24.076 -8.263 -11.719 1.00 0.00 H new ATOM 0 HG13 ILE A 40 22.684 -9.020 -12.467 1.00 0.00 H new ATOM 0 HG21 ILE A 40 26.038 -10.366 -11.414 1.00 0.00 H new ATOM 0 HG22 ILE A 40 26.656 -10.538 -13.074 1.00 0.00 H new ATOM 0 HG23 ILE A 40 26.374 -8.918 -12.393 1.00 0.00 H new ATOM 0 HD11 ILE A 40 22.718 -9.454 -10.040 1.00 0.00 H new ATOM 0 HD12 ILE A 40 22.911 -10.973 -10.947 1.00 0.00 H new ATOM 0 HD13 ILE A 40 24.325 -10.205 -10.187 1.00 0.00 H new ATOM 610 N ASN A 41 26.459 -9.388 -15.736 1.00 0.00 N ATOM 611 CA ASN A 41 27.443 -9.835 -16.713 1.00 0.00 C ATOM 612 C ASN A 41 28.840 -9.648 -16.106 1.00 0.00 C ATOM 613 O ASN A 41 29.072 -8.633 -15.449 1.00 0.00 O ATOM 614 CB ASN A 41 27.256 -9.028 -18.021 1.00 0.00 C ATOM 615 CG ASN A 41 25.802 -8.798 -18.438 1.00 0.00 C ATOM 616 OD1 ASN A 41 25.224 -9.542 -19.216 1.00 0.00 O ATOM 617 ND2 ASN A 41 25.175 -7.750 -17.938 1.00 0.00 N ATOM 0 H ASN A 41 26.656 -8.456 -15.372 1.00 0.00 H new ATOM 0 HA ASN A 41 27.316 -10.889 -16.959 1.00 0.00 H new ATOM 0 HB2 ASN A 41 27.742 -8.059 -17.905 1.00 0.00 H new ATOM 0 HB3 ASN A 41 27.771 -9.549 -18.828 1.00 0.00 H new ATOM 0 HD21 ASN A 41 24.208 -7.561 -18.201 1.00 0.00 H new ATOM 0 HD22 ASN A 41 25.658 -7.129 -17.289 1.00 0.00 H new ATOM 624 N GLU A 42 29.776 -10.580 -16.304 1.00 0.00 N ATOM 625 CA GLU A 42 31.178 -10.360 -15.905 1.00 0.00 C ATOM 626 C GLU A 42 32.196 -10.672 -17.009 1.00 0.00 C ATOM 627 O GLU A 42 31.938 -11.509 -17.881 1.00 0.00 O ATOM 628 CB GLU A 42 31.493 -11.083 -14.584 1.00 0.00 C ATOM 629 CG GLU A 42 31.705 -12.590 -14.702 1.00 0.00 C ATOM 630 CD GLU A 42 33.125 -13.047 -15.048 1.00 0.00 C ATOM 631 OE1 GLU A 42 33.217 -14.193 -15.541 1.00 0.00 O ATOM 632 OE2 GLU A 42 34.102 -12.321 -14.770 1.00 0.00 O ATOM 0 H GLU A 42 29.596 -11.487 -16.734 1.00 0.00 H new ATOM 0 HA GLU A 42 31.286 -9.289 -15.733 1.00 0.00 H new ATOM 0 HB2 GLU A 42 32.389 -10.639 -14.150 1.00 0.00 H new ATOM 0 HB3 GLU A 42 30.677 -10.901 -13.885 1.00 0.00 H new ATOM 0 HG2 GLU A 42 31.417 -13.052 -13.758 1.00 0.00 H new ATOM 0 HG3 GLU A 42 31.026 -12.973 -15.464 1.00 0.00 H new ATOM 639 N ARG A 43 33.360 -10.009 -16.951 1.00 0.00 N ATOM 640 CA ARG A 43 34.532 -10.323 -17.777 1.00 0.00 C ATOM 641 C ARG A 43 35.691 -10.799 -16.885 1.00 0.00 C ATOM 642 O ARG A 43 36.194 -9.991 -16.096 1.00 0.00 O ATOM 643 CB ARG A 43 34.915 -9.124 -18.657 1.00 0.00 C ATOM 644 CG ARG A 43 35.993 -9.499 -19.687 1.00 0.00 C ATOM 645 CD ARG A 43 36.337 -8.304 -20.583 1.00 0.00 C ATOM 646 NE ARG A 43 37.384 -8.657 -21.563 1.00 0.00 N ATOM 647 CZ ARG A 43 37.847 -7.894 -22.539 1.00 0.00 C ATOM 648 NH1 ARG A 43 37.404 -6.684 -22.744 1.00 0.00 N ATOM 649 NH2 ARG A 43 38.773 -8.338 -23.340 1.00 0.00 N ATOM 0 H ARG A 43 33.515 -9.225 -16.317 1.00 0.00 H new ATOM 0 HA ARG A 43 34.288 -11.140 -18.456 1.00 0.00 H new ATOM 0 HB2 ARG A 43 34.030 -8.754 -19.174 1.00 0.00 H new ATOM 0 HB3 ARG A 43 35.279 -8.312 -18.028 1.00 0.00 H new ATOM 0 HG2 ARG A 43 36.890 -9.841 -19.171 1.00 0.00 H new ATOM 0 HG3 ARG A 43 35.642 -10.329 -20.300 1.00 0.00 H new ATOM 0 HD2 ARG A 43 35.442 -7.969 -21.107 1.00 0.00 H new ATOM 0 HD3 ARG A 43 36.677 -7.471 -19.968 1.00 0.00 H new ATOM 0 HE ARG A 43 37.793 -9.587 -21.478 1.00 0.00 H new ATOM 0 HH11 ARG A 43 36.677 -6.298 -22.141 1.00 0.00 H new ATOM 0 HH12 ARG A 43 37.785 -6.124 -23.507 1.00 0.00 H new ATOM 0 HH21 ARG A 43 39.146 -9.279 -23.217 1.00 0.00 H new ATOM 0 HH22 ARG A 43 39.126 -7.744 -24.091 1.00 0.00 H new ATOM 663 N PRO A 44 36.132 -12.062 -17.025 1.00 0.00 N ATOM 664 CA PRO A 44 37.190 -12.633 -16.203 1.00 0.00 C ATOM 665 C PRO A 44 38.558 -12.184 -16.737 1.00 0.00 C ATOM 666 O PRO A 44 38.898 -12.426 -17.899 1.00 0.00 O ATOM 667 CB PRO A 44 36.961 -14.147 -16.271 1.00 0.00 C ATOM 668 CG PRO A 44 36.352 -14.358 -17.655 1.00 0.00 C ATOM 669 CD PRO A 44 35.531 -13.091 -17.864 1.00 0.00 C ATOM 0 HA PRO A 44 37.174 -12.304 -15.164 1.00 0.00 H new ATOM 0 HB2 PRO A 44 37.894 -14.699 -16.155 1.00 0.00 H new ATOM 0 HB3 PRO A 44 36.290 -14.487 -15.482 1.00 0.00 H new ATOM 0 HG2 PRO A 44 37.119 -14.473 -18.421 1.00 0.00 H new ATOM 0 HG3 PRO A 44 35.730 -15.253 -17.690 1.00 0.00 H new ATOM 0 HD2 PRO A 44 35.541 -12.791 -18.912 1.00 0.00 H new ATOM 0 HD3 PRO A 44 34.489 -13.255 -17.589 1.00 0.00 H new ATOM 677 N SER A 45 39.344 -11.523 -15.883 1.00 0.00 N ATOM 678 CA SER A 45 40.569 -10.817 -16.273 1.00 0.00 C ATOM 679 C SER A 45 41.669 -11.039 -15.231 1.00 0.00 C ATOM 680 O SER A 45 41.721 -10.363 -14.200 1.00 0.00 O ATOM 681 CB SER A 45 40.274 -9.319 -16.462 1.00 0.00 C ATOM 682 OG SER A 45 39.348 -9.111 -17.520 1.00 0.00 O ATOM 0 H SER A 45 39.144 -11.462 -14.885 1.00 0.00 H new ATOM 0 HA SER A 45 40.925 -11.217 -17.222 1.00 0.00 H new ATOM 0 HB2 SER A 45 39.874 -8.904 -15.537 1.00 0.00 H new ATOM 0 HB3 SER A 45 41.201 -8.786 -16.675 1.00 0.00 H new ATOM 0 HG SER A 45 39.175 -8.152 -17.620 1.00 0.00 H new ATOM 688 N ALA A 46 42.587 -11.967 -15.517 1.00 0.00 N ATOM 689 CA ALA A 46 43.607 -12.454 -14.577 1.00 0.00 C ATOM 690 C ALA A 46 44.624 -11.392 -14.103 1.00 0.00 C ATOM 691 O ALA A 46 45.351 -11.621 -13.132 1.00 0.00 O ATOM 692 CB ALA A 46 44.301 -13.663 -15.219 1.00 0.00 C ATOM 0 H ALA A 46 42.645 -12.413 -16.432 1.00 0.00 H new ATOM 0 HA ALA A 46 43.096 -12.737 -13.657 1.00 0.00 H new ATOM 0 HB1 ALA A 46 45.065 -14.046 -14.542 1.00 0.00 H new ATOM 0 HB2 ALA A 46 43.565 -14.443 -15.415 1.00 0.00 H new ATOM 0 HB3 ALA A 46 44.767 -13.360 -16.157 1.00 0.00 H new ATOM 698 N ARG A 47 44.624 -10.204 -14.726 1.00 0.00 N ATOM 699 CA ARG A 47 45.298 -8.987 -14.231 1.00 0.00 C ATOM 700 C ARG A 47 44.923 -8.626 -12.783 1.00 0.00 C ATOM 701 O ARG A 47 45.767 -8.087 -12.066 1.00 0.00 O ATOM 702 CB ARG A 47 45.013 -7.811 -15.192 1.00 0.00 C ATOM 703 CG ARG A 47 43.535 -7.367 -15.210 1.00 0.00 C ATOM 704 CD ARG A 47 43.208 -6.373 -16.333 1.00 0.00 C ATOM 705 NE ARG A 47 43.795 -5.038 -16.089 1.00 0.00 N ATOM 706 CZ ARG A 47 43.626 -3.956 -16.833 1.00 0.00 C ATOM 707 NH1 ARG A 47 42.914 -3.969 -17.926 1.00 0.00 N ATOM 708 NH2 ARG A 47 44.173 -2.826 -16.488 1.00 0.00 N ATOM 0 H ARG A 47 44.143 -10.056 -15.613 1.00 0.00 H new ATOM 0 HA ARG A 47 46.368 -9.194 -14.212 1.00 0.00 H new ATOM 0 HB2 ARG A 47 45.634 -6.962 -14.907 1.00 0.00 H new ATOM 0 HB3 ARG A 47 45.309 -8.098 -16.201 1.00 0.00 H new ATOM 0 HG2 ARG A 47 42.901 -8.247 -15.318 1.00 0.00 H new ATOM 0 HG3 ARG A 47 43.289 -6.913 -14.250 1.00 0.00 H new ATOM 0 HD2 ARG A 47 43.580 -6.763 -17.280 1.00 0.00 H new ATOM 0 HD3 ARG A 47 42.126 -6.280 -16.429 1.00 0.00 H new ATOM 0 HE ARG A 47 44.389 -4.941 -15.266 1.00 0.00 H new ATOM 0 HH11 ARG A 47 42.466 -4.832 -18.232 1.00 0.00 H new ATOM 0 HH12 ARG A 47 42.806 -3.116 -18.474 1.00 0.00 H new ATOM 0 HH21 ARG A 47 44.736 -2.770 -15.639 1.00 0.00 H new ATOM 0 HH22 ARG A 47 44.038 -1.997 -17.066 1.00 0.00 H new ATOM 722 N ALA A 48 43.678 -8.904 -12.364 1.00 0.00 N ATOM 723 CA ALA A 48 43.166 -8.511 -11.043 1.00 0.00 C ATOM 724 C ALA A 48 41.940 -9.293 -10.509 1.00 0.00 C ATOM 725 O ALA A 48 41.737 -9.301 -9.295 1.00 0.00 O ATOM 726 CB ALA A 48 42.831 -7.013 -11.117 1.00 0.00 C ATOM 0 H ALA A 48 42.998 -9.408 -12.933 1.00 0.00 H new ATOM 0 HA ALA A 48 43.952 -8.752 -10.327 1.00 0.00 H new ATOM 0 HB1 ALA A 48 42.446 -6.678 -10.154 1.00 0.00 H new ATOM 0 HB2 ALA A 48 43.732 -6.451 -11.363 1.00 0.00 H new ATOM 0 HB3 ALA A 48 42.077 -6.846 -11.887 1.00 0.00 H new ATOM 732 N GLY A 49 41.108 -9.925 -11.353 1.00 0.00 N ATOM 733 CA GLY A 49 39.856 -10.572 -10.922 1.00 0.00 C ATOM 734 C GLY A 49 38.776 -10.577 -12.010 1.00 0.00 C ATOM 735 O GLY A 49 38.950 -11.223 -13.044 1.00 0.00 O ATOM 0 H GLY A 49 41.284 -10.002 -12.355 1.00 0.00 H new ATOM 0 HA2 GLY A 49 40.068 -11.599 -10.625 1.00 0.00 H new ATOM 0 HA3 GLY A 49 39.473 -10.058 -10.041 1.00 0.00 H new ATOM 739 N SER A 50 37.668 -9.865 -11.789 1.00 0.00 N ATOM 740 CA SER A 50 36.571 -9.727 -12.762 1.00 0.00 C ATOM 741 C SER A 50 36.044 -8.295 -12.880 1.00 0.00 C ATOM 742 O SER A 50 35.904 -7.577 -11.887 1.00 0.00 O ATOM 743 CB SER A 50 35.405 -10.673 -12.441 1.00 0.00 C ATOM 744 OG SER A 50 34.985 -10.577 -11.093 1.00 0.00 O ATOM 0 H SER A 50 37.501 -9.360 -10.919 1.00 0.00 H new ATOM 0 HA SER A 50 37.006 -10.001 -13.723 1.00 0.00 H new ATOM 0 HB2 SER A 50 34.565 -10.445 -13.097 1.00 0.00 H new ATOM 0 HB3 SER A 50 35.705 -11.699 -12.653 1.00 0.00 H new ATOM 0 HG SER A 50 34.241 -11.196 -10.937 1.00 0.00 H new ATOM 750 N TRP A 51 35.672 -7.892 -14.098 1.00 0.00 N ATOM 751 CA TRP A 51 34.775 -6.751 -14.297 1.00 0.00 C ATOM 752 C TRP A 51 33.345 -7.229 -14.100 1.00 0.00 C ATOM 753 O TRP A 51 32.970 -8.214 -14.723 1.00 0.00 O ATOM 754 CB TRP A 51 34.940 -6.164 -15.706 1.00 0.00 C ATOM 755 CG TRP A 51 35.780 -4.934 -15.794 1.00 0.00 C ATOM 756 CD1 TRP A 51 37.029 -4.866 -16.304 1.00 0.00 C ATOM 757 CD2 TRP A 51 35.434 -3.576 -15.386 1.00 0.00 C ATOM 758 NE1 TRP A 51 37.487 -3.565 -16.233 1.00 0.00 N ATOM 759 CE2 TRP A 51 36.538 -2.723 -15.687 1.00 0.00 C ATOM 760 CE3 TRP A 51 34.295 -2.980 -14.799 1.00 0.00 C ATOM 761 CZ2 TRP A 51 36.517 -1.347 -15.417 1.00 0.00 C ATOM 762 CZ3 TRP A 51 34.266 -1.599 -14.524 1.00 0.00 C ATOM 763 CH2 TRP A 51 35.368 -0.783 -14.834 1.00 0.00 C ATOM 0 H TRP A 51 35.979 -8.340 -14.962 1.00 0.00 H new ATOM 0 HA TRP A 51 35.018 -5.968 -13.579 1.00 0.00 H new ATOM 0 HB2 TRP A 51 35.376 -6.928 -16.350 1.00 0.00 H new ATOM 0 HB3 TRP A 51 33.951 -5.937 -16.104 1.00 0.00 H new ATOM 0 HD1 TRP A 51 37.584 -5.701 -16.706 1.00 0.00 H new ATOM 0 HE1 TRP A 51 38.410 -3.264 -16.545 1.00 0.00 H new ATOM 0 HE3 TRP A 51 33.437 -3.590 -14.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 37.371 -0.729 -15.653 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 33.388 -1.163 -14.070 1.00 0.00 H new ATOM 0 HH2 TRP A 51 35.332 0.276 -14.625 1.00 0.00 H new ATOM 774 N ILE A 52 32.540 -6.534 -13.299 1.00 0.00 N ATOM 775 CA ILE A 52 31.096 -6.759 -13.148 1.00 0.00 C ATOM 776 C ILE A 52 30.340 -5.615 -13.811 1.00 0.00 C ATOM 777 O ILE A 52 30.625 -4.452 -13.535 1.00 0.00 O ATOM 778 CB ILE A 52 30.698 -6.887 -11.660 1.00 0.00 C ATOM 779 CG1 ILE A 52 31.505 -7.958 -10.898 1.00 0.00 C ATOM 780 CG2 ILE A 52 29.192 -7.177 -11.522 1.00 0.00 C ATOM 781 CD1 ILE A 52 31.435 -9.361 -11.508 1.00 0.00 C ATOM 0 H ILE A 52 32.883 -5.771 -12.715 1.00 0.00 H new ATOM 0 HA ILE A 52 30.834 -7.699 -13.634 1.00 0.00 H new ATOM 0 HB ILE A 52 30.935 -5.926 -11.204 1.00 0.00 H new ATOM 0 HG12 ILE A 52 32.549 -7.646 -10.855 1.00 0.00 H new ATOM 0 HG13 ILE A 52 31.144 -8.004 -9.871 1.00 0.00 H new ATOM 0 HG21 ILE A 52 28.933 -7.263 -10.467 1.00 0.00 H new ATOM 0 HG22 ILE A 52 28.622 -6.363 -11.970 1.00 0.00 H new ATOM 0 HG23 ILE A 52 28.953 -8.110 -12.032 1.00 0.00 H new ATOM 0 HD11 ILE A 52 32.031 -10.049 -10.908 1.00 0.00 H new ATOM 0 HD12 ILE A 52 30.399 -9.699 -11.526 1.00 0.00 H new ATOM 0 HD13 ILE A 52 31.825 -9.335 -12.525 1.00 0.00 H new ATOM 793 N THR A 53 29.343 -5.947 -14.628 1.00 0.00 N ATOM 794 CA THR A 53 28.542 -4.994 -15.405 1.00 0.00 C ATOM 795 C THR A 53 27.074 -5.401 -15.339 1.00 0.00 C ATOM 796 O THR A 53 26.694 -6.469 -15.821 1.00 0.00 O ATOM 797 CB THR A 53 29.036 -4.945 -16.863 1.00 0.00 C ATOM 798 OG1 THR A 53 30.408 -4.604 -16.891 1.00 0.00 O ATOM 799 CG2 THR A 53 28.317 -3.884 -17.694 1.00 0.00 C ATOM 0 H THR A 53 29.059 -6.916 -14.775 1.00 0.00 H new ATOM 0 HA THR A 53 28.651 -3.995 -14.983 1.00 0.00 H new ATOM 0 HB THR A 53 28.841 -5.932 -17.281 1.00 0.00 H new ATOM 0 HG1 THR A 53 30.719 -4.575 -17.820 1.00 0.00 H new ATOM 0 HG21 THR A 53 28.705 -3.895 -18.712 1.00 0.00 H new ATOM 0 HG22 THR A 53 27.248 -4.098 -17.711 1.00 0.00 H new ATOM 0 HG23 THR A 53 28.483 -2.901 -17.252 1.00 0.00 H new ATOM 807 N ILE A 54 26.231 -4.553 -14.752 1.00 0.00 N ATOM 808 CA ILE A 54 24.782 -4.773 -14.645 1.00 0.00 C ATOM 809 C ILE A 54 24.063 -3.956 -15.717 1.00 0.00 C ATOM 810 O ILE A 54 24.295 -2.754 -15.888 1.00 0.00 O ATOM 811 CB ILE A 54 24.285 -4.581 -13.192 1.00 0.00 C ATOM 812 CG1 ILE A 54 22.757 -4.695 -12.988 1.00 0.00 C ATOM 813 CG2 ILE A 54 24.826 -3.298 -12.547 1.00 0.00 C ATOM 814 CD1 ILE A 54 21.912 -3.498 -13.451 1.00 0.00 C ATOM 0 H ILE A 54 26.537 -3.677 -14.329 1.00 0.00 H new ATOM 0 HA ILE A 54 24.532 -5.813 -14.856 1.00 0.00 H new ATOM 0 HB ILE A 54 24.709 -5.440 -12.672 1.00 0.00 H new ATOM 0 HG12 ILE A 54 22.408 -5.583 -13.515 1.00 0.00 H new ATOM 0 HG13 ILE A 54 22.566 -4.858 -11.927 1.00 0.00 H new ATOM 0 HG21 ILE A 54 24.446 -3.214 -11.529 1.00 0.00 H new ATOM 0 HG22 ILE A 54 25.915 -3.333 -12.526 1.00 0.00 H new ATOM 0 HG23 ILE A 54 24.502 -2.434 -13.128 1.00 0.00 H new ATOM 0 HD11 ILE A 54 20.859 -3.699 -13.255 1.00 0.00 H new ATOM 0 HD12 ILE A 54 22.219 -2.604 -12.908 1.00 0.00 H new ATOM 0 HD13 ILE A 54 22.058 -3.341 -14.520 1.00 0.00 H new ATOM 826 N THR A 55 23.180 -4.631 -16.450 1.00 0.00 N ATOM 827 CA THR A 55 22.404 -4.065 -17.557 1.00 0.00 C ATOM 828 C THR A 55 20.902 -4.154 -17.273 1.00 0.00 C ATOM 829 O THR A 55 20.424 -5.155 -16.745 1.00 0.00 O ATOM 830 CB THR A 55 22.771 -4.747 -18.887 1.00 0.00 C ATOM 831 OG1 THR A 55 22.738 -6.151 -18.750 1.00 0.00 O ATOM 832 CG2 THR A 55 24.194 -4.428 -19.343 1.00 0.00 C ATOM 0 H THR A 55 22.977 -5.617 -16.287 1.00 0.00 H new ATOM 0 HA THR A 55 22.657 -3.009 -17.648 1.00 0.00 H new ATOM 0 HB THR A 55 22.043 -4.374 -19.608 1.00 0.00 H new ATOM 0 HG1 THR A 55 22.972 -6.569 -19.605 1.00 0.00 H new ATOM 0 HG21 THR A 55 24.396 -4.936 -20.286 1.00 0.00 H new ATOM 0 HG22 THR A 55 24.299 -3.352 -19.481 1.00 0.00 H new ATOM 0 HG23 THR A 55 24.903 -4.768 -18.588 1.00 0.00 H new ATOM 840 N VAL A 56 20.148 -3.105 -17.614 1.00 0.00 N ATOM 841 CA VAL A 56 18.675 -3.062 -17.568 1.00 0.00 C ATOM 842 C VAL A 56 18.144 -3.258 -18.984 1.00 0.00 C ATOM 843 O VAL A 56 18.430 -2.459 -19.872 1.00 0.00 O ATOM 844 CB VAL A 56 18.170 -1.771 -16.882 1.00 0.00 C ATOM 845 CG1 VAL A 56 16.687 -1.469 -17.133 1.00 0.00 C ATOM 846 CG2 VAL A 56 18.339 -1.956 -15.373 1.00 0.00 C ATOM 0 H VAL A 56 20.556 -2.230 -17.942 1.00 0.00 H new ATOM 0 HA VAL A 56 18.287 -3.872 -16.950 1.00 0.00 H new ATOM 0 HB VAL A 56 18.747 -0.944 -17.295 1.00 0.00 H new ATOM 0 HG11 VAL A 56 16.411 -0.549 -16.619 1.00 0.00 H new ATOM 0 HG12 VAL A 56 16.516 -1.352 -18.203 1.00 0.00 H new ATOM 0 HG13 VAL A 56 16.079 -2.292 -16.756 1.00 0.00 H new ATOM 0 HG21 VAL A 56 17.992 -1.062 -14.856 1.00 0.00 H new ATOM 0 HG22 VAL A 56 17.755 -2.815 -15.044 1.00 0.00 H new ATOM 0 HG23 VAL A 56 19.391 -2.123 -15.142 1.00 0.00 H new ATOM 856 N ASN A 57 17.409 -4.350 -19.192 1.00 0.00 N ATOM 857 CA ASN A 57 16.985 -4.923 -20.481 1.00 0.00 C ATOM 858 C ASN A 57 18.152 -5.208 -21.452 1.00 0.00 C ATOM 859 O ASN A 57 18.523 -6.362 -21.662 1.00 0.00 O ATOM 860 CB ASN A 57 15.865 -4.076 -21.119 1.00 0.00 C ATOM 861 CG ASN A 57 14.616 -4.006 -20.258 1.00 0.00 C ATOM 862 OD1 ASN A 57 13.895 -4.978 -20.087 1.00 0.00 O ATOM 863 ND2 ASN A 57 14.328 -2.860 -19.685 1.00 0.00 N ATOM 0 H ASN A 57 17.065 -4.904 -18.407 1.00 0.00 H new ATOM 0 HA ASN A 57 16.571 -5.907 -20.263 1.00 0.00 H new ATOM 0 HB2 ASN A 57 16.236 -3.066 -21.296 1.00 0.00 H new ATOM 0 HB3 ASN A 57 15.607 -4.496 -22.091 1.00 0.00 H new ATOM 0 HD21 ASN A 57 13.500 -2.779 -19.095 1.00 0.00 H new ATOM 0 HD22 ASN A 57 14.932 -2.051 -19.830 1.00 0.00 H new ATOM 870 N GLN A 58 18.730 -4.147 -22.024 1.00 0.00 N ATOM 871 CA GLN A 58 19.847 -4.167 -22.981 1.00 0.00 C ATOM 872 C GLN A 58 20.840 -2.994 -22.794 1.00 0.00 C ATOM 873 O GLN A 58 21.735 -2.804 -23.617 1.00 0.00 O ATOM 874 CB GLN A 58 19.272 -4.218 -24.410 1.00 0.00 C ATOM 875 CG GLN A 58 18.358 -3.029 -24.758 1.00 0.00 C ATOM 876 CD GLN A 58 17.955 -3.037 -26.233 1.00 0.00 C ATOM 877 OE1 GLN A 58 16.880 -3.484 -26.612 1.00 0.00 O ATOM 878 NE2 GLN A 58 18.800 -2.559 -27.126 1.00 0.00 N ATOM 0 H GLN A 58 18.416 -3.198 -21.822 1.00 0.00 H new ATOM 0 HA GLN A 58 20.442 -5.061 -22.792 1.00 0.00 H new ATOM 0 HB2 GLN A 58 20.097 -4.250 -25.122 1.00 0.00 H new ATOM 0 HB3 GLN A 58 18.710 -5.144 -24.532 1.00 0.00 H new ATOM 0 HG2 GLN A 58 17.463 -3.064 -24.136 1.00 0.00 H new ATOM 0 HG3 GLN A 58 18.871 -2.096 -24.526 1.00 0.00 H new ATOM 0 HE21 GLN A 58 19.700 -2.183 -26.827 1.00 0.00 H new ATOM 0 HE22 GLN A 58 18.554 -2.565 -28.116 1.00 0.00 H new ATOM 887 N ASP A 59 20.690 -2.199 -21.727 1.00 0.00 N ATOM 888 CA ASP A 59 21.441 -0.956 -21.486 1.00 0.00 C ATOM 889 C ASP A 59 22.268 -1.041 -20.199 1.00 0.00 C ATOM 890 O ASP A 59 21.744 -1.413 -19.151 1.00 0.00 O ATOM 891 CB ASP A 59 20.459 0.224 -21.404 1.00 0.00 C ATOM 892 CG ASP A 59 19.859 0.572 -22.774 1.00 0.00 C ATOM 893 OD1 ASP A 59 20.601 1.091 -23.643 1.00 0.00 O ATOM 894 OD2 ASP A 59 18.641 0.354 -22.983 1.00 0.00 O ATOM 0 H ASP A 59 20.023 -2.408 -20.984 1.00 0.00 H new ATOM 0 HA ASP A 59 22.133 -0.806 -22.315 1.00 0.00 H new ATOM 0 HB2 ASP A 59 19.656 -0.021 -20.709 1.00 0.00 H new ATOM 0 HB3 ASP A 59 20.974 1.096 -21.002 1.00 0.00 H new ATOM 899 N VAL A 60 23.554 -0.679 -20.238 1.00 0.00 N ATOM 900 CA VAL A 60 24.395 -0.618 -19.026 1.00 0.00 C ATOM 901 C VAL A 60 24.037 0.593 -18.162 1.00 0.00 C ATOM 902 O VAL A 60 23.824 1.693 -18.671 1.00 0.00 O ATOM 903 CB VAL A 60 25.903 -0.698 -19.356 1.00 0.00 C ATOM 904 CG1 VAL A 60 26.414 0.445 -20.244 1.00 0.00 C ATOM 905 CG2 VAL A 60 26.760 -0.743 -18.086 1.00 0.00 C ATOM 0 H VAL A 60 24.042 -0.422 -21.096 1.00 0.00 H new ATOM 0 HA VAL A 60 24.177 -1.504 -18.430 1.00 0.00 H new ATOM 0 HB VAL A 60 26.004 -1.627 -19.917 1.00 0.00 H new ATOM 0 HG11 VAL A 60 27.480 0.314 -20.428 1.00 0.00 H new ATOM 0 HG12 VAL A 60 25.878 0.436 -21.193 1.00 0.00 H new ATOM 0 HG13 VAL A 60 26.247 1.398 -19.742 1.00 0.00 H new ATOM 0 HG21 VAL A 60 27.814 -0.799 -18.360 1.00 0.00 H new ATOM 0 HG22 VAL A 60 26.585 0.157 -17.497 1.00 0.00 H new ATOM 0 HG23 VAL A 60 26.491 -1.620 -17.497 1.00 0.00 H new ATOM 915 N ILE A 61 23.992 0.378 -16.841 1.00 0.00 N ATOM 916 CA ILE A 61 23.722 1.435 -15.850 1.00 0.00 C ATOM 917 C ILE A 61 24.748 1.503 -14.715 1.00 0.00 C ATOM 918 O ILE A 61 24.956 2.579 -14.157 1.00 0.00 O ATOM 919 CB ILE A 61 22.304 1.300 -15.265 1.00 0.00 C ATOM 920 CG1 ILE A 61 21.929 -0.135 -14.848 1.00 0.00 C ATOM 921 CG2 ILE A 61 21.271 1.876 -16.242 1.00 0.00 C ATOM 922 CD1 ILE A 61 20.799 -0.129 -13.818 1.00 0.00 C ATOM 0 H ILE A 61 24.143 -0.540 -16.424 1.00 0.00 H new ATOM 0 HA ILE A 61 23.805 2.371 -16.402 1.00 0.00 H new ATOM 0 HB ILE A 61 22.299 1.879 -14.342 1.00 0.00 H new ATOM 0 HG12 ILE A 61 21.623 -0.704 -15.726 1.00 0.00 H new ATOM 0 HG13 ILE A 61 22.803 -0.637 -14.432 1.00 0.00 H new ATOM 0 HG21 ILE A 61 20.272 1.775 -15.817 1.00 0.00 H new ATOM 0 HG22 ILE A 61 21.485 2.930 -16.418 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.321 1.333 -17.186 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.554 -1.154 -13.541 1.00 0.00 H new ATOM 0 HD12 ILE A 61 21.117 0.420 -12.932 1.00 0.00 H new ATOM 0 HD13 ILE A 61 19.919 0.351 -14.246 1.00 0.00 H new ATOM 934 N PHE A 62 25.403 0.387 -14.377 1.00 0.00 N ATOM 935 CA PHE A 62 26.468 0.359 -13.376 1.00 0.00 C ATOM 936 C PHE A 62 27.478 -0.746 -13.690 1.00 0.00 C ATOM 937 O PHE A 62 27.123 -1.809 -14.201 1.00 0.00 O ATOM 938 CB PHE A 62 25.862 0.226 -11.964 1.00 0.00 C ATOM 939 CG PHE A 62 26.889 -0.025 -10.868 1.00 0.00 C ATOM 940 CD1 PHE A 62 27.769 1.010 -10.500 1.00 0.00 C ATOM 941 CD2 PHE A 62 27.032 -1.298 -10.276 1.00 0.00 C ATOM 942 CE1 PHE A 62 28.790 0.771 -9.564 1.00 0.00 C ATOM 943 CE2 PHE A 62 28.063 -1.540 -9.348 1.00 0.00 C ATOM 944 CZ PHE A 62 28.937 -0.502 -8.990 1.00 0.00 C ATOM 0 H PHE A 62 25.207 -0.523 -14.793 1.00 0.00 H new ATOM 0 HA PHE A 62 27.018 1.300 -13.406 1.00 0.00 H new ATOM 0 HB2 PHE A 62 25.311 1.137 -11.729 1.00 0.00 H new ATOM 0 HB3 PHE A 62 25.141 -0.591 -11.965 1.00 0.00 H new ATOM 0 HD1 PHE A 62 27.659 1.991 -10.938 1.00 0.00 H new ATOM 0 HD2 PHE A 62 26.347 -2.091 -10.536 1.00 0.00 H new ATOM 0 HE1 PHE A 62 29.463 1.568 -9.286 1.00 0.00 H new ATOM 0 HE2 PHE A 62 28.181 -2.521 -8.913 1.00 0.00 H new ATOM 0 HZ PHE A 62 29.724 -0.683 -8.272 1.00 0.00 H new ATOM 954 N GLN A 63 28.745 -0.484 -13.379 1.00 0.00 N ATOM 955 CA GLN A 63 29.831 -1.453 -13.501 1.00 0.00 C ATOM 956 C GLN A 63 30.986 -1.141 -12.536 1.00 0.00 C ATOM 957 O GLN A 63 31.269 0.022 -12.243 1.00 0.00 O ATOM 958 CB GLN A 63 30.297 -1.554 -14.966 1.00 0.00 C ATOM 959 CG GLN A 63 30.811 -0.248 -15.592 1.00 0.00 C ATOM 960 CD GLN A 63 31.134 -0.426 -17.076 1.00 0.00 C ATOM 961 OE1 GLN A 63 30.540 0.192 -17.948 1.00 0.00 O ATOM 962 NE2 GLN A 63 32.081 -1.274 -17.424 1.00 0.00 N ATOM 0 H GLN A 63 29.051 0.424 -13.029 1.00 0.00 H new ATOM 0 HA GLN A 63 29.452 -2.432 -13.208 1.00 0.00 H new ATOM 0 HB2 GLN A 63 31.089 -2.301 -15.026 1.00 0.00 H new ATOM 0 HB3 GLN A 63 29.466 -1.922 -15.568 1.00 0.00 H new ATOM 0 HG2 GLN A 63 30.060 0.533 -15.473 1.00 0.00 H new ATOM 0 HG3 GLN A 63 31.704 0.084 -15.062 1.00 0.00 H new ATOM 0 HE21 GLN A 63 32.586 -1.797 -16.708 1.00 0.00 H new ATOM 0 HE22 GLN A 63 32.309 -1.407 -18.409 1.00 0.00 H new ATOM 971 N THR A 64 31.653 -2.185 -12.042 1.00 0.00 N ATOM 972 CA THR A 64 32.753 -2.097 -11.065 1.00 0.00 C ATOM 973 C THR A 64 33.695 -3.302 -11.158 1.00 0.00 C ATOM 974 O THR A 64 33.339 -4.333 -11.731 1.00 0.00 O ATOM 975 CB THR A 64 32.183 -1.948 -9.644 1.00 0.00 C ATOM 976 OG1 THR A 64 33.227 -1.655 -8.741 1.00 0.00 O ATOM 977 CG2 THR A 64 31.436 -3.189 -9.144 1.00 0.00 C ATOM 0 H THR A 64 31.441 -3.145 -12.315 1.00 0.00 H new ATOM 0 HA THR A 64 33.345 -1.213 -11.301 1.00 0.00 H new ATOM 0 HB THR A 64 31.459 -1.135 -9.693 1.00 0.00 H new ATOM 0 HG1 THR A 64 32.860 -1.559 -7.837 1.00 0.00 H new ATOM 0 HG21 THR A 64 31.063 -3.008 -8.136 1.00 0.00 H new ATOM 0 HG22 THR A 64 30.598 -3.401 -9.808 1.00 0.00 H new ATOM 0 HG23 THR A 64 32.115 -4.042 -9.132 1.00 0.00 H new ATOM 985 N PHE A 65 34.896 -3.193 -10.593 1.00 0.00 N ATOM 986 CA PHE A 65 35.878 -4.276 -10.552 1.00 0.00 C ATOM 987 C PHE A 65 35.781 -5.062 -9.229 1.00 0.00 C ATOM 988 O PHE A 65 35.774 -4.466 -8.147 1.00 0.00 O ATOM 989 CB PHE A 65 37.283 -3.701 -10.800 1.00 0.00 C ATOM 990 CG PHE A 65 38.161 -4.617 -11.625 1.00 0.00 C ATOM 991 CD1 PHE A 65 38.452 -4.297 -12.964 1.00 0.00 C ATOM 992 CD2 PHE A 65 38.650 -5.814 -11.075 1.00 0.00 C ATOM 993 CE1 PHE A 65 39.213 -5.178 -13.753 1.00 0.00 C ATOM 994 CE2 PHE A 65 39.379 -6.711 -11.873 1.00 0.00 C ATOM 995 CZ PHE A 65 39.659 -6.396 -13.216 1.00 0.00 C ATOM 0 H PHE A 65 35.220 -2.336 -10.144 1.00 0.00 H new ATOM 0 HA PHE A 65 35.666 -4.993 -11.345 1.00 0.00 H new ATOM 0 HB2 PHE A 65 37.192 -2.741 -11.307 1.00 0.00 H new ATOM 0 HB3 PHE A 65 37.766 -3.511 -9.841 1.00 0.00 H new ATOM 0 HD1 PHE A 65 38.090 -3.372 -13.387 1.00 0.00 H new ATOM 0 HD2 PHE A 65 38.465 -6.045 -10.036 1.00 0.00 H new ATOM 0 HE1 PHE A 65 39.454 -4.917 -14.773 1.00 0.00 H new ATOM 0 HE2 PHE A 65 39.726 -7.645 -11.455 1.00 0.00 H new ATOM 0 HZ PHE A 65 40.215 -7.089 -13.831 1.00 0.00 H new ATOM 1005 N LEU A 66 35.719 -6.394 -9.308 1.00 0.00 N ATOM 1006 CA LEU A 66 35.824 -7.310 -8.169 1.00 0.00 C ATOM 1007 C LEU A 66 37.221 -7.942 -8.077 1.00 0.00 C ATOM 1008 O LEU A 66 37.818 -8.323 -9.086 1.00 0.00 O ATOM 1009 CB LEU A 66 34.764 -8.416 -8.260 1.00 0.00 C ATOM 1010 CG LEU A 66 33.375 -8.100 -7.701 1.00 0.00 C ATOM 1011 CD1 LEU A 66 32.532 -9.364 -7.861 1.00 0.00 C ATOM 1012 CD2 LEU A 66 33.376 -7.781 -6.205 1.00 0.00 C ATOM 0 H LEU A 66 35.590 -6.880 -10.195 1.00 0.00 H new ATOM 0 HA LEU A 66 35.653 -6.721 -7.268 1.00 0.00 H new ATOM 0 HB2 LEU A 66 34.652 -8.691 -9.309 1.00 0.00 H new ATOM 0 HB3 LEU A 66 35.146 -9.294 -7.739 1.00 0.00 H new ATOM 0 HG LEU A 66 32.999 -7.229 -8.237 1.00 0.00 H new ATOM 0 HD11 LEU A 66 31.529 -9.184 -7.474 1.00 0.00 H new ATOM 0 HD12 LEU A 66 32.471 -9.630 -8.916 1.00 0.00 H new ATOM 0 HD13 LEU A 66 32.993 -10.182 -7.307 1.00 0.00 H new ATOM 0 HD21 LEU A 66 32.358 -7.567 -5.878 1.00 0.00 H new ATOM 0 HD22 LEU A 66 33.763 -8.636 -5.651 1.00 0.00 H new ATOM 0 HD23 LEU A 66 34.007 -6.912 -6.019 1.00 0.00 H new ATOM 1024 N PHE A 67 37.697 -8.122 -6.842 1.00 0.00 N ATOM 1025 CA PHE A 67 39.019 -8.679 -6.527 1.00 0.00 C ATOM 1026 C PHE A 67 38.893 -9.905 -5.594 1.00 0.00 C ATOM 1027 O PHE A 67 38.193 -9.824 -4.581 1.00 0.00 O ATOM 1028 CB PHE A 67 39.893 -7.579 -5.897 1.00 0.00 C ATOM 1029 CG PHE A 67 39.973 -6.283 -6.686 1.00 0.00 C ATOM 1030 CD1 PHE A 67 39.041 -5.253 -6.446 1.00 0.00 C ATOM 1031 CD2 PHE A 67 40.978 -6.096 -7.655 1.00 0.00 C ATOM 1032 CE1 PHE A 67 39.105 -4.052 -7.174 1.00 0.00 C ATOM 1033 CE2 PHE A 67 41.048 -4.888 -8.375 1.00 0.00 C ATOM 1034 CZ PHE A 67 40.110 -3.868 -8.138 1.00 0.00 C ATOM 0 H PHE A 67 37.160 -7.878 -6.010 1.00 0.00 H new ATOM 0 HA PHE A 67 39.495 -9.024 -7.445 1.00 0.00 H new ATOM 0 HB2 PHE A 67 39.507 -7.356 -4.902 1.00 0.00 H new ATOM 0 HB3 PHE A 67 40.902 -7.969 -5.767 1.00 0.00 H new ATOM 0 HD1 PHE A 67 38.273 -5.387 -5.698 1.00 0.00 H new ATOM 0 HD2 PHE A 67 41.696 -6.880 -7.846 1.00 0.00 H new ATOM 0 HE1 PHE A 67 38.382 -3.271 -6.992 1.00 0.00 H new ATOM 0 HE2 PHE A 67 41.825 -4.745 -9.112 1.00 0.00 H new ATOM 0 HZ PHE A 67 40.162 -2.945 -8.696 1.00 0.00 H new ATOM 1044 N PRO A 68 39.553 -11.043 -5.901 1.00 0.00 N ATOM 1045 CA PRO A 68 39.413 -12.296 -5.147 1.00 0.00 C ATOM 1046 C PRO A 68 40.253 -12.338 -3.853 1.00 0.00 C ATOM 1047 O PRO A 68 39.868 -13.003 -2.891 1.00 0.00 O ATOM 1048 CB PRO A 68 39.850 -13.386 -6.133 1.00 0.00 C ATOM 1049 CG PRO A 68 40.911 -12.671 -6.970 1.00 0.00 C ATOM 1050 CD PRO A 68 40.337 -11.272 -7.104 1.00 0.00 C ATOM 0 HA PRO A 68 38.389 -12.423 -4.795 1.00 0.00 H new ATOM 0 HB2 PRO A 68 40.257 -14.257 -5.620 1.00 0.00 H new ATOM 0 HB3 PRO A 68 39.019 -13.736 -6.745 1.00 0.00 H new ATOM 0 HG2 PRO A 68 41.882 -12.665 -6.475 1.00 0.00 H new ATOM 0 HG3 PRO A 68 41.051 -13.147 -7.941 1.00 0.00 H new ATOM 0 HD2 PRO A 68 41.132 -10.532 -7.199 1.00 0.00 H new ATOM 0 HD3 PRO A 68 39.716 -11.189 -7.996 1.00 0.00 H new ATOM 1058 N LEU A 69 41.396 -11.633 -3.822 1.00 0.00 N ATOM 1059 CA LEU A 69 42.321 -11.602 -2.675 1.00 0.00 C ATOM 1060 C LEU A 69 41.871 -10.614 -1.581 1.00 0.00 C ATOM 1061 O LEU A 69 42.163 -10.812 -0.399 1.00 0.00 O ATOM 1062 CB LEU A 69 43.728 -11.272 -3.219 1.00 0.00 C ATOM 1063 CG LEU A 69 44.870 -11.291 -2.181 1.00 0.00 C ATOM 1064 CD1 LEU A 69 45.054 -12.664 -1.534 1.00 0.00 C ATOM 1065 CD2 LEU A 69 46.183 -10.909 -2.866 1.00 0.00 C ATOM 0 H LEU A 69 41.709 -11.059 -4.605 1.00 0.00 H new ATOM 0 HA LEU A 69 42.331 -12.575 -2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 69 43.968 -11.984 -4.009 1.00 0.00 H new ATOM 0 HB3 LEU A 69 43.697 -10.284 -3.679 1.00 0.00 H new ATOM 0 HG LEU A 69 44.603 -10.579 -1.400 1.00 0.00 H new ATOM 0 HD11 LEU A 69 45.870 -12.620 -0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 69 44.134 -12.952 -1.025 1.00 0.00 H new ATOM 0 HD13 LEU A 69 45.289 -13.400 -2.303 1.00 0.00 H new ATOM 0 HD21 LEU A 69 46.992 -10.922 -2.135 1.00 0.00 H new ATOM 0 HD22 LEU A 69 46.400 -11.623 -3.660 1.00 0.00 H new ATOM 0 HD23 LEU A 69 46.094 -9.909 -3.292 1.00 0.00 H new ATOM 1077 N LYS A 70 41.150 -9.556 -1.977 1.00 0.00 N ATOM 1078 CA LYS A 70 40.583 -8.530 -1.078 1.00 0.00 C ATOM 1079 C LYS A 70 39.224 -8.960 -0.500 1.00 0.00 C ATOM 1080 O LYS A 70 38.566 -9.863 -1.018 1.00 0.00 O ATOM 1081 CB LYS A 70 40.480 -7.180 -1.820 1.00 0.00 C ATOM 1082 CG LYS A 70 41.823 -6.588 -2.287 1.00 0.00 C ATOM 1083 CD LYS A 70 42.729 -6.164 -1.119 1.00 0.00 C ATOM 1084 CE LYS A 70 43.969 -5.428 -1.647 1.00 0.00 C ATOM 1085 NZ LYS A 70 44.836 -4.942 -0.535 1.00 0.00 N ATOM 0 H LYS A 70 40.937 -9.381 -2.959 1.00 0.00 H new ATOM 0 HA LYS A 70 41.257 -8.411 -0.229 1.00 0.00 H new ATOM 0 HB2 LYS A 70 39.835 -7.309 -2.689 1.00 0.00 H new ATOM 0 HB3 LYS A 70 39.991 -6.459 -1.165 1.00 0.00 H new ATOM 0 HG2 LYS A 70 42.346 -7.324 -2.897 1.00 0.00 H new ATOM 0 HG3 LYS A 70 41.632 -5.724 -2.924 1.00 0.00 H new ATOM 0 HD2 LYS A 70 42.177 -5.517 -0.437 1.00 0.00 H new ATOM 0 HD3 LYS A 70 43.034 -7.042 -0.549 1.00 0.00 H new ATOM 0 HE2 LYS A 70 44.542 -6.096 -2.290 1.00 0.00 H new ATOM 0 HE3 LYS A 70 43.657 -4.583 -2.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 45.663 -4.450 -0.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 44.296 -4.286 0.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 45.154 -5.751 0.036 1.00 0.00 H new ATOM 1099 N ARG A 71 38.795 -8.280 0.574 1.00 0.00 N ATOM 1100 CA ARG A 71 37.554 -8.564 1.333 1.00 0.00 C ATOM 1101 C ARG A 71 36.427 -7.550 1.088 1.00 0.00 C ATOM 1102 O ARG A 71 35.480 -7.471 1.869 1.00 0.00 O ATOM 1103 CB ARG A 71 37.892 -8.769 2.826 1.00 0.00 C ATOM 1104 CG ARG A 71 38.837 -9.964 3.040 1.00 0.00 C ATOM 1105 CD ARG A 71 39.076 -10.229 4.532 1.00 0.00 C ATOM 1106 NE ARG A 71 40.000 -11.365 4.734 1.00 0.00 N ATOM 1107 CZ ARG A 71 39.700 -12.653 4.798 1.00 0.00 C ATOM 1108 NH1 ARG A 71 38.478 -13.094 4.677 1.00 0.00 N ATOM 1109 NH2 ARG A 71 40.640 -13.535 4.983 1.00 0.00 N ATOM 0 H ARG A 71 39.315 -7.490 0.956 1.00 0.00 H new ATOM 0 HA ARG A 71 37.137 -9.496 0.951 1.00 0.00 H new ATOM 0 HB2 ARG A 71 38.355 -7.865 3.221 1.00 0.00 H new ATOM 0 HB3 ARG A 71 36.972 -8.928 3.388 1.00 0.00 H new ATOM 0 HG2 ARG A 71 38.412 -10.853 2.574 1.00 0.00 H new ATOM 0 HG3 ARG A 71 39.789 -9.770 2.546 1.00 0.00 H new ATOM 0 HD2 ARG A 71 39.487 -9.335 5.001 1.00 0.00 H new ATOM 0 HD3 ARG A 71 38.126 -10.438 5.023 1.00 0.00 H new ATOM 0 HE ARG A 71 40.987 -11.128 4.836 1.00 0.00 H new ATOM 0 HH11 ARG A 71 37.712 -12.438 4.527 1.00 0.00 H new ATOM 0 HH12 ARG A 71 38.289 -14.095 4.732 1.00 0.00 H new ATOM 0 HH21 ARG A 71 41.610 -13.234 5.079 1.00 0.00 H new ATOM 0 HH22 ARG A 71 40.406 -14.527 5.032 1.00 0.00 H new ATOM 1123 N ASP A 72 36.497 -6.784 -0.003 1.00 0.00 N ATOM 1124 CA ASP A 72 35.452 -5.821 -0.393 1.00 0.00 C ATOM 1125 C ASP A 72 34.203 -6.468 -0.996 1.00 0.00 C ATOM 1126 O ASP A 72 33.173 -5.808 -1.037 1.00 0.00 O ATOM 1127 CB ASP A 72 35.994 -4.770 -1.370 1.00 0.00 C ATOM 1128 CG ASP A 72 36.230 -5.346 -2.781 1.00 0.00 C ATOM 1129 OD1 ASP A 72 37.318 -5.924 -3.012 1.00 0.00 O ATOM 1130 OD2 ASP A 72 35.319 -5.238 -3.640 1.00 0.00 O ATOM 0 H ASP A 72 37.285 -6.811 -0.649 1.00 0.00 H new ATOM 0 HA ASP A 72 35.152 -5.345 0.540 1.00 0.00 H new ATOM 0 HB2 ASP A 72 35.291 -3.939 -1.432 1.00 0.00 H new ATOM 0 HB3 ASP A 72 36.930 -4.367 -0.984 1.00 0.00 H new ATOM 1135 N PHE A 73 34.263 -7.730 -1.443 1.00 0.00 N ATOM 1136 CA PHE A 73 33.205 -8.381 -2.234 1.00 0.00 C ATOM 1137 C PHE A 73 31.793 -8.161 -1.667 1.00 0.00 C ATOM 1138 O PHE A 73 30.904 -7.720 -2.390 1.00 0.00 O ATOM 1139 CB PHE A 73 33.547 -9.877 -2.373 1.00 0.00 C ATOM 1140 CG PHE A 73 32.419 -10.734 -2.917 1.00 0.00 C ATOM 1141 CD1 PHE A 73 32.359 -11.032 -4.291 1.00 0.00 C ATOM 1142 CD2 PHE A 73 31.414 -11.215 -2.052 1.00 0.00 C ATOM 1143 CE1 PHE A 73 31.278 -11.770 -4.808 1.00 0.00 C ATOM 1144 CE2 PHE A 73 30.328 -11.939 -2.568 1.00 0.00 C ATOM 1145 CZ PHE A 73 30.256 -12.202 -3.943 1.00 0.00 C ATOM 0 H PHE A 73 35.061 -8.339 -1.263 1.00 0.00 H new ATOM 0 HA PHE A 73 33.179 -7.915 -3.219 1.00 0.00 H new ATOM 0 HB2 PHE A 73 34.412 -9.979 -3.028 1.00 0.00 H new ATOM 0 HB3 PHE A 73 33.840 -10.262 -1.396 1.00 0.00 H new ATOM 0 HD1 PHE A 73 33.145 -10.693 -4.950 1.00 0.00 H new ATOM 0 HD2 PHE A 73 31.480 -11.026 -0.991 1.00 0.00 H new ATOM 0 HE1 PHE A 73 31.233 -12.003 -5.862 1.00 0.00 H new ATOM 0 HE2 PHE A 73 29.550 -12.292 -1.908 1.00 0.00 H new ATOM 0 HZ PHE A 73 29.409 -12.741 -4.342 1.00 0.00 H new ATOM 1155 N GLU A 74 31.593 -8.381 -0.362 1.00 0.00 N ATOM 1156 CA GLU A 74 30.283 -8.203 0.287 1.00 0.00 C ATOM 1157 C GLU A 74 29.805 -6.744 0.224 1.00 0.00 C ATOM 1158 O GLU A 74 28.652 -6.458 -0.097 1.00 0.00 O ATOM 1159 CB GLU A 74 30.391 -8.665 1.746 1.00 0.00 C ATOM 1160 CG GLU A 74 29.018 -8.969 2.352 1.00 0.00 C ATOM 1161 CD GLU A 74 29.157 -9.428 3.817 1.00 0.00 C ATOM 1162 OE1 GLU A 74 29.068 -10.651 4.087 1.00 0.00 O ATOM 1163 OE2 GLU A 74 29.352 -8.568 4.711 1.00 0.00 O ATOM 0 H GLU A 74 32.330 -8.686 0.274 1.00 0.00 H new ATOM 0 HA GLU A 74 29.545 -8.803 -0.246 1.00 0.00 H new ATOM 0 HB2 GLU A 74 31.017 -9.556 1.799 1.00 0.00 H new ATOM 0 HB3 GLU A 74 30.885 -7.893 2.336 1.00 0.00 H new ATOM 0 HG2 GLU A 74 28.389 -8.080 2.303 1.00 0.00 H new ATOM 0 HG3 GLU A 74 28.521 -9.744 1.769 1.00 0.00 H new ATOM 1170 N LYS A 75 30.734 -5.813 0.459 1.00 0.00 N ATOM 1171 CA LYS A 75 30.495 -4.365 0.423 1.00 0.00 C ATOM 1172 C LYS A 75 30.177 -3.908 -1.001 1.00 0.00 C ATOM 1173 O LYS A 75 29.182 -3.225 -1.217 1.00 0.00 O ATOM 1174 CB LYS A 75 31.692 -3.601 1.036 1.00 0.00 C ATOM 1175 CG LYS A 75 31.942 -4.009 2.503 1.00 0.00 C ATOM 1176 CD LYS A 75 33.094 -5.018 2.664 1.00 0.00 C ATOM 1177 CE LYS A 75 32.957 -5.800 3.979 1.00 0.00 C ATOM 1178 NZ LYS A 75 34.189 -6.586 4.283 1.00 0.00 N ATOM 0 H LYS A 75 31.700 -6.051 0.686 1.00 0.00 H new ATOM 0 HA LYS A 75 29.623 -4.133 1.034 1.00 0.00 H new ATOM 0 HB2 LYS A 75 32.588 -3.796 0.447 1.00 0.00 H new ATOM 0 HB3 LYS A 75 31.504 -2.529 0.984 1.00 0.00 H new ATOM 0 HG2 LYS A 75 32.164 -3.117 3.089 1.00 0.00 H new ATOM 0 HG3 LYS A 75 31.029 -4.441 2.914 1.00 0.00 H new ATOM 0 HD2 LYS A 75 33.096 -5.711 1.823 1.00 0.00 H new ATOM 0 HD3 LYS A 75 34.049 -4.492 2.647 1.00 0.00 H new ATOM 0 HE2 LYS A 75 32.757 -5.107 4.796 1.00 0.00 H new ATOM 0 HE3 LYS A 75 32.102 -6.473 3.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 33.937 -7.421 4.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 34.634 -6.892 3.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 34.856 -5.993 4.817 1.00 0.00 H new ATOM 1192 N THR A 76 30.939 -4.382 -1.984 1.00 0.00 N ATOM 1193 CA THR A 76 30.719 -4.148 -3.421 1.00 0.00 C ATOM 1194 C THR A 76 29.383 -4.721 -3.903 1.00 0.00 C ATOM 1195 O THR A 76 28.680 -4.041 -4.649 1.00 0.00 O ATOM 1196 CB THR A 76 31.917 -4.692 -4.223 1.00 0.00 C ATOM 1197 OG1 THR A 76 33.039 -3.891 -3.927 1.00 0.00 O ATOM 1198 CG2 THR A 76 31.704 -4.634 -5.739 1.00 0.00 C ATOM 0 H THR A 76 31.758 -4.962 -1.802 1.00 0.00 H new ATOM 0 HA THR A 76 30.653 -3.073 -3.592 1.00 0.00 H new ATOM 0 HB THR A 76 32.049 -5.737 -3.941 1.00 0.00 H new ATOM 0 HG1 THR A 76 33.759 -4.454 -3.573 1.00 0.00 H new ATOM 0 HG21 THR A 76 32.584 -5.031 -6.245 1.00 0.00 H new ATOM 0 HG22 THR A 76 30.831 -5.229 -6.007 1.00 0.00 H new ATOM 0 HG23 THR A 76 31.546 -3.600 -6.045 1.00 0.00 H new ATOM 1206 N VAL A 77 28.955 -5.897 -3.424 1.00 0.00 N ATOM 1207 CA VAL A 77 27.612 -6.447 -3.700 1.00 0.00 C ATOM 1208 C VAL A 77 26.532 -5.521 -3.145 1.00 0.00 C ATOM 1209 O VAL A 77 25.678 -5.078 -3.907 1.00 0.00 O ATOM 1210 CB VAL A 77 27.443 -7.882 -3.152 1.00 0.00 C ATOM 1211 CG1 VAL A 77 25.979 -8.345 -3.156 1.00 0.00 C ATOM 1212 CG2 VAL A 77 28.228 -8.889 -3.999 1.00 0.00 C ATOM 0 H VAL A 77 29.528 -6.498 -2.832 1.00 0.00 H new ATOM 0 HA VAL A 77 27.501 -6.507 -4.783 1.00 0.00 H new ATOM 0 HB VAL A 77 27.816 -7.848 -2.128 1.00 0.00 H new ATOM 0 HG11 VAL A 77 25.917 -9.359 -2.761 1.00 0.00 H new ATOM 0 HG12 VAL A 77 25.384 -7.676 -2.534 1.00 0.00 H new ATOM 0 HG13 VAL A 77 25.595 -8.329 -4.176 1.00 0.00 H new ATOM 0 HG21 VAL A 77 28.092 -9.891 -3.592 1.00 0.00 H new ATOM 0 HG22 VAL A 77 27.864 -8.862 -5.026 1.00 0.00 H new ATOM 0 HG23 VAL A 77 29.287 -8.631 -3.982 1.00 0.00 H new ATOM 1222 N VAL A 78 26.580 -5.172 -1.854 1.00 0.00 N ATOM 1223 CA VAL A 78 25.555 -4.321 -1.210 1.00 0.00 C ATOM 1224 C VAL A 78 25.504 -2.935 -1.857 1.00 0.00 C ATOM 1225 O VAL A 78 24.427 -2.398 -2.111 1.00 0.00 O ATOM 1226 CB VAL A 78 25.803 -4.225 0.310 1.00 0.00 C ATOM 1227 CG1 VAL A 78 24.883 -3.215 1.008 1.00 0.00 C ATOM 1228 CG2 VAL A 78 25.554 -5.587 0.969 1.00 0.00 C ATOM 0 H VAL A 78 27.325 -5.467 -1.223 1.00 0.00 H new ATOM 0 HA VAL A 78 24.581 -4.787 -1.361 1.00 0.00 H new ATOM 0 HB VAL A 78 26.837 -3.898 0.422 1.00 0.00 H new ATOM 0 HG11 VAL A 78 25.107 -3.195 2.074 1.00 0.00 H new ATOM 0 HG12 VAL A 78 25.044 -2.224 0.585 1.00 0.00 H new ATOM 0 HG13 VAL A 78 23.843 -3.508 0.862 1.00 0.00 H new ATOM 0 HG21 VAL A 78 25.731 -5.510 2.042 1.00 0.00 H new ATOM 0 HG22 VAL A 78 24.523 -5.893 0.793 1.00 0.00 H new ATOM 0 HG23 VAL A 78 26.231 -6.327 0.542 1.00 0.00 H new ATOM 1238 N ALA A 79 26.662 -2.381 -2.213 1.00 0.00 N ATOM 1239 CA ALA A 79 26.770 -1.079 -2.856 1.00 0.00 C ATOM 1240 C ALA A 79 26.251 -1.102 -4.300 1.00 0.00 C ATOM 1241 O ALA A 79 25.698 -0.109 -4.770 1.00 0.00 O ATOM 1242 CB ALA A 79 28.237 -0.659 -2.777 1.00 0.00 C ATOM 0 H ALA A 79 27.563 -2.833 -2.059 1.00 0.00 H new ATOM 0 HA ALA A 79 26.142 -0.351 -2.342 1.00 0.00 H new ATOM 0 HB1 ALA A 79 28.362 0.315 -3.249 1.00 0.00 H new ATOM 0 HB2 ALA A 79 28.542 -0.598 -1.732 1.00 0.00 H new ATOM 0 HB3 ALA A 79 28.854 -1.394 -3.293 1.00 0.00 H new ATOM 1248 N ALA A 80 26.381 -2.217 -5.025 1.00 0.00 N ATOM 1249 CA ALA A 80 25.822 -2.355 -6.369 1.00 0.00 C ATOM 1250 C ALA A 80 24.287 -2.320 -6.365 1.00 0.00 C ATOM 1251 O ALA A 80 23.697 -1.851 -7.333 1.00 0.00 O ATOM 1252 CB ALA A 80 26.343 -3.655 -6.990 1.00 0.00 C ATOM 0 H ALA A 80 26.876 -3.046 -4.696 1.00 0.00 H new ATOM 0 HA ALA A 80 26.145 -1.504 -6.970 1.00 0.00 H new ATOM 0 HB1 ALA A 80 25.933 -3.769 -7.993 1.00 0.00 H new ATOM 0 HB2 ALA A 80 27.431 -3.622 -7.045 1.00 0.00 H new ATOM 0 HB3 ALA A 80 26.036 -4.501 -6.374 1.00 0.00 H new ATOM 1258 N LEU A 81 23.633 -2.728 -5.270 1.00 0.00 N ATOM 1259 CA LEU A 81 22.167 -2.674 -5.141 1.00 0.00 C ATOM 1260 C LEU A 81 21.684 -1.214 -5.211 1.00 0.00 C ATOM 1261 O LEU A 81 20.805 -0.869 -6.001 1.00 0.00 O ATOM 1262 CB LEU A 81 21.704 -3.311 -3.810 1.00 0.00 C ATOM 1263 CG LEU A 81 22.279 -4.689 -3.447 1.00 0.00 C ATOM 1264 CD1 LEU A 81 21.875 -5.065 -2.025 1.00 0.00 C ATOM 1265 CD2 LEU A 81 21.829 -5.810 -4.376 1.00 0.00 C ATOM 0 H LEU A 81 24.103 -3.105 -4.447 1.00 0.00 H new ATOM 0 HA LEU A 81 21.734 -3.240 -5.965 1.00 0.00 H new ATOM 0 HB2 LEU A 81 21.949 -2.621 -3.003 1.00 0.00 H new ATOM 0 HB3 LEU A 81 20.618 -3.396 -3.837 1.00 0.00 H new ATOM 0 HG LEU A 81 23.360 -4.590 -3.547 1.00 0.00 H new ATOM 0 HD11 LEU A 81 22.287 -6.043 -1.776 1.00 0.00 H new ATOM 0 HD12 LEU A 81 22.261 -4.321 -1.328 1.00 0.00 H new ATOM 0 HD13 LEU A 81 20.788 -5.100 -1.953 1.00 0.00 H new ATOM 0 HD21 LEU A 81 22.277 -6.751 -4.055 1.00 0.00 H new ATOM 0 HD22 LEU A 81 20.743 -5.895 -4.344 1.00 0.00 H new ATOM 0 HD23 LEU A 81 22.145 -5.587 -5.395 1.00 0.00 H new ATOM 1277 N ILE A 82 22.339 -0.342 -4.435 1.00 0.00 N ATOM 1278 CA ILE A 82 22.056 1.101 -4.377 1.00 0.00 C ATOM 1279 C ILE A 82 22.444 1.767 -5.703 1.00 0.00 C ATOM 1280 O ILE A 82 21.648 2.487 -6.298 1.00 0.00 O ATOM 1281 CB ILE A 82 22.778 1.743 -3.164 1.00 0.00 C ATOM 1282 CG1 ILE A 82 22.349 1.068 -1.835 1.00 0.00 C ATOM 1283 CG2 ILE A 82 22.495 3.257 -3.112 1.00 0.00 C ATOM 1284 CD1 ILE A 82 23.147 1.523 -0.606 1.00 0.00 C ATOM 0 H ILE A 82 23.098 -0.624 -3.815 1.00 0.00 H new ATOM 0 HA ILE A 82 20.987 1.256 -4.234 1.00 0.00 H new ATOM 0 HB ILE A 82 23.850 1.589 -3.289 1.00 0.00 H new ATOM 0 HG12 ILE A 82 21.292 1.272 -1.663 1.00 0.00 H new ATOM 0 HG13 ILE A 82 22.452 -0.012 -1.940 1.00 0.00 H new ATOM 0 HG21 ILE A 82 23.008 3.694 -2.255 1.00 0.00 H new ATOM 0 HG22 ILE A 82 22.854 3.726 -4.028 1.00 0.00 H new ATOM 0 HG23 ILE A 82 21.422 3.424 -3.016 1.00 0.00 H new ATOM 0 HD11 ILE A 82 22.782 1.002 0.279 1.00 0.00 H new ATOM 0 HD12 ILE A 82 24.203 1.294 -0.752 1.00 0.00 H new ATOM 0 HD13 ILE A 82 23.025 2.598 -0.470 1.00 0.00 H new ATOM 1296 N GLN A 83 23.641 1.483 -6.221 1.00 0.00 N ATOM 1297 CA GLN A 83 24.148 2.116 -7.450 1.00 0.00 C ATOM 1298 C GLN A 83 23.362 1.701 -8.707 1.00 0.00 C ATOM 1299 O GLN A 83 23.264 2.478 -9.657 1.00 0.00 O ATOM 1300 CB GLN A 83 25.645 1.811 -7.599 1.00 0.00 C ATOM 1301 CG GLN A 83 26.460 2.537 -6.516 1.00 0.00 C ATOM 1302 CD GLN A 83 27.920 2.099 -6.487 1.00 0.00 C ATOM 1303 OE1 GLN A 83 28.191 0.904 -6.003 1.00 0.00 O flip ATOM 1304 NE2 GLN A 83 28.830 2.818 -6.876 1.00 0.00 N flip ATOM 0 H GLN A 83 24.287 0.811 -5.806 1.00 0.00 H new ATOM 0 HA GLN A 83 24.004 3.192 -7.355 1.00 0.00 H new ATOM 0 HB2 GLN A 83 25.811 0.736 -7.526 1.00 0.00 H new ATOM 0 HB3 GLN A 83 25.987 2.120 -8.587 1.00 0.00 H new ATOM 0 HG2 GLN A 83 26.411 3.612 -6.689 1.00 0.00 H new ATOM 0 HG3 GLN A 83 26.009 2.350 -5.541 1.00 0.00 H new ATOM 0 HE21 GLN A 83 28.624 3.744 -7.251 1.00 0.00 H new ATOM 0 HE22 GLN A 83 29.795 2.492 -6.825 1.00 0.00 H new ATOM 1313 N THR A 84 22.731 0.522 -8.687 1.00 0.00 N ATOM 1314 CA THR A 84 21.785 0.087 -9.726 1.00 0.00 C ATOM 1315 C THR A 84 20.544 0.979 -9.745 1.00 0.00 C ATOM 1316 O THR A 84 20.167 1.467 -10.808 1.00 0.00 O ATOM 1317 CB THR A 84 21.382 -1.380 -9.523 1.00 0.00 C ATOM 1318 OG1 THR A 84 22.512 -2.198 -9.708 1.00 0.00 O ATOM 1319 CG2 THR A 84 20.360 -1.880 -10.529 1.00 0.00 C ATOM 0 H THR A 84 22.862 -0.164 -7.944 1.00 0.00 H new ATOM 0 HA THR A 84 22.288 0.176 -10.689 1.00 0.00 H new ATOM 0 HB THR A 84 20.957 -1.429 -8.520 1.00 0.00 H new ATOM 0 HG1 THR A 84 23.171 -2.008 -9.008 1.00 0.00 H new ATOM 0 HG21 THR A 84 20.125 -2.924 -10.321 1.00 0.00 H new ATOM 0 HG22 THR A 84 19.452 -1.282 -10.453 1.00 0.00 H new ATOM 0 HG23 THR A 84 20.768 -1.793 -11.536 1.00 0.00 H new ATOM 1327 N GLU A 85 19.918 1.259 -8.594 1.00 0.00 N ATOM 1328 CA GLU A 85 18.744 2.140 -8.587 1.00 0.00 C ATOM 1329 C GLU A 85 19.121 3.613 -8.778 1.00 0.00 C ATOM 1330 O GLU A 85 18.352 4.358 -9.375 1.00 0.00 O ATOM 1331 CB GLU A 85 17.854 1.925 -7.353 1.00 0.00 C ATOM 1332 CG GLU A 85 18.455 2.368 -6.013 1.00 0.00 C ATOM 1333 CD GLU A 85 17.347 2.615 -4.970 1.00 0.00 C ATOM 1334 OE1 GLU A 85 17.154 1.767 -4.064 1.00 0.00 O ATOM 1335 OE2 GLU A 85 16.677 3.676 -5.044 1.00 0.00 O ATOM 0 H GLU A 85 20.195 0.900 -7.680 1.00 0.00 H new ATOM 0 HA GLU A 85 18.145 1.856 -9.452 1.00 0.00 H new ATOM 0 HB2 GLU A 85 16.918 2.462 -7.505 1.00 0.00 H new ATOM 0 HB3 GLU A 85 17.607 0.866 -7.287 1.00 0.00 H new ATOM 0 HG2 GLU A 85 19.141 1.604 -5.647 1.00 0.00 H new ATOM 0 HG3 GLU A 85 19.037 3.279 -6.154 1.00 0.00 H new ATOM 1342 N GLU A 86 20.299 4.064 -8.341 1.00 0.00 N ATOM 1343 CA GLU A 86 20.741 5.462 -8.493 1.00 0.00 C ATOM 1344 C GLU A 86 20.854 5.906 -9.959 1.00 0.00 C ATOM 1345 O GLU A 86 20.597 7.071 -10.265 1.00 0.00 O ATOM 1346 CB GLU A 86 22.070 5.676 -7.759 1.00 0.00 C ATOM 1347 CG GLU A 86 21.866 5.744 -6.242 1.00 0.00 C ATOM 1348 CD GLU A 86 21.475 7.165 -5.789 1.00 0.00 C ATOM 1349 OE1 GLU A 86 22.357 7.915 -5.307 1.00 0.00 O ATOM 1350 OE2 GLU A 86 20.285 7.542 -5.918 1.00 0.00 O ATOM 0 H GLU A 86 20.981 3.470 -7.868 1.00 0.00 H new ATOM 0 HA GLU A 86 19.970 6.088 -8.044 1.00 0.00 H new ATOM 0 HB2 GLU A 86 22.755 4.863 -7.999 1.00 0.00 H new ATOM 0 HB3 GLU A 86 22.535 6.598 -8.107 1.00 0.00 H new ATOM 0 HG2 GLU A 86 21.089 5.040 -5.946 1.00 0.00 H new ATOM 0 HG3 GLU A 86 22.782 5.439 -5.736 1.00 0.00 H new ATOM 1357 N ALA A 87 21.131 4.975 -10.879 1.00 0.00 N ATOM 1358 CA ALA A 87 21.044 5.224 -12.318 1.00 0.00 C ATOM 1359 C ALA A 87 19.601 5.515 -12.765 1.00 0.00 C ATOM 1360 O ALA A 87 19.356 6.433 -13.541 1.00 0.00 O ATOM 1361 CB ALA A 87 21.585 3.992 -13.052 1.00 0.00 C ATOM 0 H ALA A 87 21.422 4.026 -10.644 1.00 0.00 H new ATOM 0 HA ALA A 87 21.635 6.107 -12.559 1.00 0.00 H new ATOM 0 HB1 ALA A 87 21.529 4.156 -14.128 1.00 0.00 H new ATOM 0 HB2 ALA A 87 22.623 3.823 -12.764 1.00 0.00 H new ATOM 0 HB3 ALA A 87 20.988 3.119 -12.787 1.00 0.00 H new ATOM 1367 N LEU A 88 18.631 4.742 -12.260 1.00 0.00 N ATOM 1368 CA LEU A 88 17.220 4.807 -12.663 1.00 0.00 C ATOM 1369 C LEU A 88 16.458 5.914 -11.923 1.00 0.00 C ATOM 1370 O LEU A 88 15.453 6.419 -12.424 1.00 0.00 O ATOM 1371 CB LEU A 88 16.572 3.425 -12.451 1.00 0.00 C ATOM 1372 CG LEU A 88 17.312 2.215 -13.053 1.00 0.00 C ATOM 1373 CD1 LEU A 88 16.479 0.971 -12.820 1.00 0.00 C ATOM 1374 CD2 LEU A 88 17.540 2.361 -14.552 1.00 0.00 C ATOM 0 H LEU A 88 18.809 4.038 -11.544 1.00 0.00 H new ATOM 0 HA LEU A 88 17.169 5.067 -13.720 1.00 0.00 H new ATOM 0 HB2 LEU A 88 16.465 3.260 -11.379 1.00 0.00 H new ATOM 0 HB3 LEU A 88 15.566 3.452 -12.871 1.00 0.00 H new ATOM 0 HG LEU A 88 18.285 2.149 -12.567 1.00 0.00 H new ATOM 0 HD11 LEU A 88 16.991 0.106 -13.241 1.00 0.00 H new ATOM 0 HD12 LEU A 88 16.338 0.823 -11.749 1.00 0.00 H new ATOM 0 HD13 LEU A 88 15.508 1.088 -13.301 1.00 0.00 H new ATOM 0 HD21 LEU A 88 18.065 1.483 -14.927 1.00 0.00 H new ATOM 0 HD22 LEU A 88 16.579 2.454 -15.059 1.00 0.00 H new ATOM 0 HD23 LEU A 88 18.139 3.251 -14.744 1.00 0.00 H new ATOM 1386 N ASN A 89 16.976 6.348 -10.774 1.00 0.00 N ATOM 1387 CA ASN A 89 16.445 7.426 -9.938 1.00 0.00 C ATOM 1388 C ASN A 89 16.412 8.790 -10.640 1.00 0.00 C ATOM 1389 O ASN A 89 15.530 9.589 -10.347 1.00 0.00 O ATOM 1390 CB ASN A 89 17.239 7.461 -8.615 1.00 0.00 C ATOM 1391 CG ASN A 89 16.550 6.722 -7.484 1.00 0.00 C ATOM 1392 OD1 ASN A 89 15.601 7.194 -6.875 1.00 0.00 O ATOM 1393 ND2 ASN A 89 17.024 5.547 -7.180 1.00 0.00 N ATOM 0 H ASN A 89 17.822 5.936 -10.380 1.00 0.00 H new ATOM 0 HA ASN A 89 15.397 7.211 -9.728 1.00 0.00 H new ATOM 0 HB2 ASN A 89 18.224 7.024 -8.779 1.00 0.00 H new ATOM 0 HB3 ASN A 89 17.395 8.499 -8.320 1.00 0.00 H new ATOM 0 HD21 ASN A 89 16.603 5.007 -6.424 1.00 0.00 H new ATOM 0 HD22 ASN A 89 17.816 5.167 -7.698 1.00 0.00 H new ATOM 1400 N ARG A 90 17.297 9.034 -11.614 1.00 0.00 N ATOM 1401 CA ARG A 90 17.297 10.242 -12.475 1.00 0.00 C ATOM 1402 C ARG A 90 16.681 10.015 -13.875 1.00 0.00 C ATOM 1403 O ARG A 90 16.454 10.973 -14.609 1.00 0.00 O ATOM 1404 CB ARG A 90 18.735 10.799 -12.487 1.00 0.00 C ATOM 1405 CG ARG A 90 18.840 12.246 -12.999 1.00 0.00 C ATOM 1406 CD ARG A 90 20.243 12.814 -12.746 1.00 0.00 C ATOM 1407 NE ARG A 90 20.341 14.223 -13.180 1.00 0.00 N ATOM 1408 CZ ARG A 90 20.671 14.682 -14.376 1.00 0.00 C ATOM 1409 NH1 ARG A 90 20.955 13.894 -15.375 1.00 0.00 N ATOM 1410 NH2 ARG A 90 20.722 15.966 -14.592 1.00 0.00 N ATOM 0 H ARG A 90 18.054 8.388 -11.837 1.00 0.00 H new ATOM 0 HA ARG A 90 16.627 10.994 -12.058 1.00 0.00 H new ATOM 0 HB2 ARG A 90 19.141 10.751 -11.476 1.00 0.00 H new ATOM 0 HB3 ARG A 90 19.357 10.157 -13.111 1.00 0.00 H new ATOM 0 HG2 ARG A 90 18.618 12.276 -14.066 1.00 0.00 H new ATOM 0 HG3 ARG A 90 18.096 12.868 -12.501 1.00 0.00 H new ATOM 0 HD2 ARG A 90 20.481 12.741 -11.685 1.00 0.00 H new ATOM 0 HD3 ARG A 90 20.981 12.215 -13.280 1.00 0.00 H new ATOM 0 HE ARG A 90 20.129 14.926 -12.472 1.00 0.00 H new ATOM 0 HH11 ARG A 90 20.927 12.882 -15.250 1.00 0.00 H new ATOM 0 HH12 ARG A 90 21.205 14.289 -16.281 1.00 0.00 H new ATOM 0 HH21 ARG A 90 20.507 16.619 -13.838 1.00 0.00 H new ATOM 0 HH22 ARG A 90 20.977 16.318 -15.515 1.00 0.00 H new ATOM 1424 N ARG A 91 16.360 8.758 -14.222 1.00 0.00 N ATOM 1425 CA ARG A 91 15.718 8.359 -15.501 1.00 0.00 C ATOM 1426 C ARG A 91 14.190 8.373 -15.417 1.00 0.00 C ATOM 1427 O ARG A 91 13.526 9.011 -16.230 1.00 0.00 O ATOM 1428 CB ARG A 91 16.186 6.955 -15.928 1.00 0.00 C ATOM 1429 CG ARG A 91 17.660 6.868 -16.346 1.00 0.00 C ATOM 1430 CD ARG A 91 18.099 5.396 -16.484 1.00 0.00 C ATOM 1431 NE ARG A 91 18.637 5.111 -17.832 1.00 0.00 N ATOM 1432 CZ ARG A 91 18.019 4.597 -18.883 1.00 0.00 C ATOM 1433 NH1 ARG A 91 16.767 4.234 -18.856 1.00 0.00 N ATOM 1434 NH2 ARG A 91 18.663 4.439 -20.002 1.00 0.00 N ATOM 0 H ARG A 91 16.542 7.964 -13.609 1.00 0.00 H new ATOM 0 HA ARG A 91 16.023 9.096 -16.244 1.00 0.00 H new ATOM 0 HB2 ARG A 91 16.015 6.264 -15.103 1.00 0.00 H new ATOM 0 HB3 ARG A 91 15.567 6.618 -16.759 1.00 0.00 H new ATOM 0 HG2 ARG A 91 17.806 7.387 -17.293 1.00 0.00 H new ATOM 0 HG3 ARG A 91 18.283 7.371 -15.607 1.00 0.00 H new ATOM 0 HD2 ARG A 91 18.857 5.170 -15.734 1.00 0.00 H new ATOM 0 HD3 ARG A 91 17.250 4.742 -16.285 1.00 0.00 H new ATOM 0 HE ARG A 91 19.621 5.343 -17.971 1.00 0.00 H new ATOM 0 HH11 ARG A 91 16.223 4.342 -18.000 1.00 0.00 H new ATOM 0 HH12 ARG A 91 16.331 3.842 -19.691 1.00 0.00 H new ATOM 0 HH21 ARG A 91 19.644 4.711 -20.069 1.00 0.00 H new ATOM 0 HH22 ARG A 91 18.187 4.043 -20.813 1.00 0.00 H new ATOM 1448 N GLN A 92 13.652 7.624 -14.446 1.00 0.00 N ATOM 1449 CA GLN A 92 12.215 7.297 -14.361 1.00 0.00 C ATOM 1450 C GLN A 92 11.632 7.304 -12.946 1.00 0.00 C ATOM 1451 O GLN A 92 10.534 7.819 -12.745 1.00 0.00 O ATOM 1452 CB GLN A 92 11.950 5.949 -15.058 1.00 0.00 C ATOM 1453 CG GLN A 92 12.855 4.775 -14.629 1.00 0.00 C ATOM 1454 CD GLN A 92 12.304 3.436 -15.116 1.00 0.00 C ATOM 1455 OE1 GLN A 92 12.735 2.882 -16.117 1.00 0.00 O ATOM 1456 NE2 GLN A 92 11.324 2.876 -14.433 1.00 0.00 N ATOM 0 H GLN A 92 14.204 7.222 -13.688 1.00 0.00 H new ATOM 0 HA GLN A 92 11.693 8.103 -14.876 1.00 0.00 H new ATOM 0 HB2 GLN A 92 10.913 5.667 -14.877 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.059 6.091 -16.133 1.00 0.00 H new ATOM 0 HG2 GLN A 92 13.859 4.923 -15.028 1.00 0.00 H new ATOM 0 HG3 GLN A 92 12.943 4.760 -13.543 1.00 0.00 H new ATOM 0 HE21 GLN A 92 10.959 3.332 -13.597 1.00 0.00 H new ATOM 0 HE22 GLN A 92 10.931 1.987 -14.741 1.00 0.00 H new ATOM 1465 N ILE A 93 12.370 6.817 -11.937 1.00 0.00 N ATOM 1466 CA ILE A 93 11.860 6.767 -10.544 1.00 0.00 C ATOM 1467 C ILE A 93 11.696 8.193 -9.977 1.00 0.00 C ATOM 1468 O ILE A 93 10.892 8.421 -9.082 1.00 0.00 O ATOM 1469 CB ILE A 93 12.701 5.834 -9.629 1.00 0.00 C ATOM 1470 CG1 ILE A 93 13.132 4.520 -10.335 1.00 0.00 C ATOM 1471 CG2 ILE A 93 11.898 5.509 -8.360 1.00 0.00 C ATOM 1472 CD1 ILE A 93 13.965 3.551 -9.481 1.00 0.00 C ATOM 0 H ILE A 93 13.316 6.453 -12.050 1.00 0.00 H new ATOM 0 HA ILE A 93 10.870 6.312 -10.566 1.00 0.00 H new ATOM 0 HB ILE A 93 13.617 6.367 -9.375 1.00 0.00 H new ATOM 0 HG12 ILE A 93 12.236 4.000 -10.674 1.00 0.00 H new ATOM 0 HG13 ILE A 93 13.706 4.778 -11.225 1.00 0.00 H new ATOM 0 HG21 ILE A 93 12.485 4.855 -7.716 1.00 0.00 H new ATOM 0 HG22 ILE A 93 11.669 6.432 -7.828 1.00 0.00 H new ATOM 0 HG23 ILE A 93 10.969 5.009 -8.635 1.00 0.00 H new ATOM 0 HD11 ILE A 93 14.212 2.668 -10.070 1.00 0.00 H new ATOM 0 HD12 ILE A 93 14.884 4.044 -9.163 1.00 0.00 H new ATOM 0 HD13 ILE A 93 13.391 3.253 -8.604 1.00 0.00 H new ATOM 1484 N ASN A 94 12.352 9.185 -10.591 1.00 0.00 N ATOM 1485 CA ASN A 94 12.190 10.614 -10.294 1.00 0.00 C ATOM 1486 C ASN A 94 10.723 11.083 -10.387 1.00 0.00 C ATOM 1487 O ASN A 94 10.281 11.898 -9.582 1.00 0.00 O ATOM 1488 CB ASN A 94 13.071 11.427 -11.270 1.00 0.00 C ATOM 1489 CG ASN A 94 13.770 12.586 -10.576 1.00 0.00 C ATOM 1490 OD1 ASN A 94 13.316 13.720 -10.582 1.00 0.00 O ATOM 1491 ND2 ASN A 94 14.897 12.318 -9.956 1.00 0.00 N ATOM 0 H ASN A 94 13.031 9.010 -11.331 1.00 0.00 H new ATOM 0 HA ASN A 94 12.502 10.779 -9.263 1.00 0.00 H new ATOM 0 HB2 ASN A 94 13.816 10.770 -11.718 1.00 0.00 H new ATOM 0 HB3 ASN A 94 12.454 11.810 -12.082 1.00 0.00 H new ATOM 0 HD21 ASN A 94 15.402 13.061 -9.473 1.00 0.00 H new ATOM 0 HD22 ASN A 94 15.266 11.367 -9.958 1.00 0.00 H new ATOM 1498 N GLN A 95 9.955 10.525 -11.335 1.00 0.00 N ATOM 1499 CA GLN A 95 8.519 10.788 -11.477 1.00 0.00 C ATOM 1500 C GLN A 95 7.719 10.088 -10.367 1.00 0.00 C ATOM 1501 O GLN A 95 6.861 10.700 -9.736 1.00 0.00 O ATOM 1502 CB GLN A 95 8.031 10.343 -12.869 1.00 0.00 C ATOM 1503 CG GLN A 95 8.720 11.092 -14.026 1.00 0.00 C ATOM 1504 CD GLN A 95 8.215 10.630 -15.396 1.00 0.00 C ATOM 1505 OE1 GLN A 95 7.021 10.559 -15.665 1.00 0.00 O ATOM 1506 NE2 GLN A 95 9.092 10.301 -16.323 1.00 0.00 N ATOM 0 H GLN A 95 10.319 9.873 -12.030 1.00 0.00 H new ATOM 0 HA GLN A 95 8.354 11.861 -11.379 1.00 0.00 H new ATOM 0 HB2 GLN A 95 8.206 9.273 -12.983 1.00 0.00 H new ATOM 0 HB3 GLN A 95 6.954 10.498 -12.935 1.00 0.00 H new ATOM 0 HG2 GLN A 95 8.546 12.163 -13.918 1.00 0.00 H new ATOM 0 HG3 GLN A 95 9.797 10.937 -13.967 1.00 0.00 H new ATOM 0 HE21 GLN A 95 10.091 10.352 -16.122 1.00 0.00 H new ATOM 0 HE22 GLN A 95 8.772 9.995 -17.242 1.00 0.00 H new ATOM 1515 N ALA A 96 8.043 8.825 -10.076 1.00 0.00 N ATOM 1516 CA ALA A 96 7.346 8.013 -9.074 1.00 0.00 C ATOM 1517 C ALA A 96 7.523 8.550 -7.639 1.00 0.00 C ATOM 1518 O ALA A 96 6.557 8.587 -6.875 1.00 0.00 O ATOM 1519 CB ALA A 96 7.835 6.566 -9.200 1.00 0.00 C ATOM 0 H ALA A 96 8.807 8.331 -10.536 1.00 0.00 H new ATOM 0 HA ALA A 96 6.275 8.063 -9.268 1.00 0.00 H new ATOM 0 HB1 ALA A 96 7.328 5.945 -8.462 1.00 0.00 H new ATOM 0 HB2 ALA A 96 7.615 6.193 -10.200 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.911 6.529 -9.027 1.00 0.00 H new ATOM 1525 N LEU A 97 8.728 9.024 -7.286 1.00 0.00 N ATOM 1526 CA LEU A 97 9.019 9.587 -5.955 1.00 0.00 C ATOM 1527 C LEU A 97 8.451 11.001 -5.736 1.00 0.00 C ATOM 1528 O LEU A 97 8.226 11.414 -4.598 1.00 0.00 O ATOM 1529 CB LEU A 97 10.528 9.491 -5.673 1.00 0.00 C ATOM 1530 CG LEU A 97 11.465 10.408 -6.483 1.00 0.00 C ATOM 1531 CD1 LEU A 97 11.647 11.801 -5.871 1.00 0.00 C ATOM 1532 CD2 LEU A 97 12.858 9.780 -6.571 1.00 0.00 C ATOM 0 H LEU A 97 9.531 9.028 -7.916 1.00 0.00 H new ATOM 0 HA LEU A 97 8.490 8.982 -5.219 1.00 0.00 H new ATOM 0 HB2 LEU A 97 10.686 9.700 -4.615 1.00 0.00 H new ATOM 0 HB3 LEU A 97 10.837 8.460 -5.844 1.00 0.00 H new ATOM 0 HG LEU A 97 10.992 10.516 -7.459 1.00 0.00 H new ATOM 0 HD11 LEU A 97 12.319 12.388 -6.497 1.00 0.00 H new ATOM 0 HD12 LEU A 97 10.680 12.300 -5.809 1.00 0.00 H new ATOM 0 HD13 LEU A 97 12.071 11.707 -4.871 1.00 0.00 H new ATOM 0 HD21 LEU A 97 13.516 10.433 -7.145 1.00 0.00 H new ATOM 0 HD22 LEU A 97 13.262 9.649 -5.567 1.00 0.00 H new ATOM 0 HD23 LEU A 97 12.789 8.810 -7.064 1.00 0.00 H new ATOM 1544 N LEU A 98 8.211 11.728 -6.830 1.00 0.00 N ATOM 1545 CA LEU A 98 7.613 13.071 -6.838 1.00 0.00 C ATOM 1546 C LEU A 98 6.070 13.042 -6.887 1.00 0.00 C ATOM 1547 O LEU A 98 5.416 13.887 -6.275 1.00 0.00 O ATOM 1548 CB LEU A 98 8.214 13.851 -8.023 1.00 0.00 C ATOM 1549 CG LEU A 98 7.764 15.320 -8.149 1.00 0.00 C ATOM 1550 CD1 LEU A 98 8.164 16.162 -6.934 1.00 0.00 C ATOM 1551 CD2 LEU A 98 8.407 15.942 -9.389 1.00 0.00 C ATOM 0 H LEU A 98 8.434 11.390 -7.766 1.00 0.00 H new ATOM 0 HA LEU A 98 7.852 13.573 -5.900 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.300 13.828 -7.936 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.957 13.330 -8.945 1.00 0.00 H new ATOM 0 HG LEU A 98 6.676 15.316 -8.221 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.823 17.188 -7.074 1.00 0.00 H new ATOM 0 HD12 LEU A 98 7.705 15.747 -6.037 1.00 0.00 H new ATOM 0 HD13 LEU A 98 9.249 16.152 -6.825 1.00 0.00 H new ATOM 0 HD21 LEU A 98 8.090 16.981 -9.481 1.00 0.00 H new ATOM 0 HD22 LEU A 98 9.492 15.900 -9.296 1.00 0.00 H new ATOM 0 HD23 LEU A 98 8.097 15.389 -10.276 1.00 0.00 H new ATOM 1563 N SER A 99 5.479 12.063 -7.582 1.00 0.00 N ATOM 1564 CA SER A 99 4.032 11.934 -7.826 1.00 0.00 C ATOM 1565 C SER A 99 3.305 11.154 -6.710 1.00 0.00 C ATOM 1566 O SER A 99 2.400 10.351 -6.941 1.00 0.00 O ATOM 1567 CB SER A 99 3.783 11.378 -9.237 1.00 0.00 C ATOM 1568 OG SER A 99 2.472 11.701 -9.682 1.00 0.00 O ATOM 0 H SER A 99 6.015 11.307 -8.008 1.00 0.00 H new ATOM 0 HA SER A 99 3.587 12.928 -7.788 1.00 0.00 H new ATOM 0 HB2 SER A 99 4.518 11.788 -9.929 1.00 0.00 H new ATOM 0 HB3 SER A 99 3.915 10.296 -9.235 1.00 0.00 H new ATOM 0 HG SER A 99 1.820 11.432 -9.002 1.00 0.00 H new ATOM 1574 N THR A 100 3.718 11.395 -5.464 1.00 0.00 N ATOM 1575 CA THR A 100 3.214 10.765 -4.222 1.00 0.00 C ATOM 1576 C THR A 100 1.968 11.454 -3.631 1.00 0.00 C ATOM 1577 O THR A 100 1.689 11.349 -2.434 1.00 0.00 O ATOM 1578 CB THR A 100 4.347 10.648 -3.184 1.00 0.00 C ATOM 1579 OG1 THR A 100 4.970 11.907 -2.994 1.00 0.00 O ATOM 1580 CG2 THR A 100 5.412 9.657 -3.656 1.00 0.00 C ATOM 0 H THR A 100 4.456 12.073 -5.274 1.00 0.00 H new ATOM 0 HA THR A 100 2.878 9.765 -4.496 1.00 0.00 H new ATOM 0 HB THR A 100 3.906 10.300 -2.250 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.687 11.821 -2.331 1.00 0.00 H new ATOM 0 HG21 THR A 100 6.203 9.589 -2.909 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.959 8.675 -3.795 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.834 9.999 -4.601 1.00 0.00 H new ATOM 1588 N GLY A 101 1.197 12.160 -4.468 1.00 0.00 N ATOM 1589 CA GLY A 101 -0.028 12.899 -4.124 1.00 0.00 C ATOM 1590 C GLY A 101 -1.254 12.006 -3.870 1.00 0.00 C ATOM 1591 O GLY A 101 -2.290 12.175 -4.517 1.00 0.00 O ATOM 0 H GLY A 101 1.423 12.236 -5.460 1.00 0.00 H new ATOM 0 HA2 GLY A 101 0.161 13.499 -3.234 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -0.259 13.593 -4.932 1.00 0.00 H new ATOM 1595 N ASP A 102 -1.127 11.068 -2.926 1.00 0.00 N ATOM 1596 CA ASP A 102 -2.114 10.047 -2.540 1.00 0.00 C ATOM 1597 C ASP A 102 -2.561 9.110 -3.690 1.00 0.00 C ATOM 1598 O ASP A 102 -2.024 9.142 -4.804 1.00 0.00 O ATOM 1599 CB ASP A 102 -3.290 10.741 -1.824 1.00 0.00 C ATOM 1600 CG ASP A 102 -3.807 9.926 -0.625 1.00 0.00 C ATOM 1601 OD1 ASP A 102 -3.522 10.308 0.536 1.00 0.00 O ATOM 1602 OD2 ASP A 102 -4.488 8.894 -0.836 1.00 0.00 O ATOM 0 H ASP A 102 -0.274 10.995 -2.371 1.00 0.00 H new ATOM 0 HA ASP A 102 -1.628 9.358 -1.850 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -2.973 11.726 -1.481 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -4.103 10.896 -2.533 1.00 0.00 H new ATOM 1607 N LEU A 103 -3.539 8.239 -3.421 1.00 0.00 N ATOM 1608 CA LEU A 103 -4.221 7.434 -4.431 1.00 0.00 C ATOM 1609 C LEU A 103 -5.095 8.313 -5.333 1.00 0.00 C ATOM 1610 O LEU A 103 -5.894 9.127 -4.860 1.00 0.00 O ATOM 1611 CB LEU A 103 -5.038 6.344 -3.726 1.00 0.00 C ATOM 1612 CG LEU A 103 -6.031 5.572 -4.622 1.00 0.00 C ATOM 1613 CD1 LEU A 103 -5.969 4.084 -4.291 1.00 0.00 C ATOM 1614 CD2 LEU A 103 -7.475 6.029 -4.406 1.00 0.00 C ATOM 0 H LEU A 103 -3.883 8.073 -2.475 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.487 6.956 -5.080 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -4.347 5.629 -3.279 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -5.594 6.803 -2.909 1.00 0.00 H new ATOM 0 HG LEU A 103 -5.744 5.767 -5.655 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -6.670 3.541 -4.924 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.959 3.714 -4.467 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -6.233 3.933 -3.244 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -8.138 5.459 -5.057 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -7.757 5.864 -3.366 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -7.560 7.090 -4.641 1.00 0.00 H new ATOM 1626 N ALA A 104 -4.961 8.083 -6.639 1.00 0.00 N ATOM 1627 CA ALA A 104 -5.774 8.730 -7.673 1.00 0.00 C ATOM 1628 C ALA A 104 -5.889 7.939 -9.003 1.00 0.00 C ATOM 1629 O ALA A 104 -6.109 8.530 -10.065 1.00 0.00 O ATOM 1630 CB ALA A 104 -5.226 10.154 -7.884 1.00 0.00 C ATOM 0 H ALA A 104 -4.273 7.431 -7.016 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.804 8.763 -7.317 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -5.813 10.660 -8.650 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.291 10.711 -6.949 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.185 10.100 -8.202 1.00 0.00 H new ATOM 1636 N HIS A 105 -5.717 6.609 -8.967 1.00 0.00 N ATOM 1637 CA HIS A 105 -5.760 5.747 -10.167 1.00 0.00 C ATOM 1638 C HIS A 105 -6.249 4.320 -9.872 1.00 0.00 C ATOM 1639 O HIS A 105 -7.204 3.851 -10.491 1.00 0.00 O ATOM 1640 CB HIS A 105 -4.366 5.712 -10.815 1.00 0.00 C ATOM 1641 CG HIS A 105 -4.364 5.044 -12.171 1.00 0.00 C ATOM 1642 ND1 HIS A 105 -4.015 3.715 -12.429 1.00 0.00 N ATOM 1643 CD2 HIS A 105 -4.718 5.644 -13.346 1.00 0.00 C ATOM 1644 CE1 HIS A 105 -4.166 3.544 -13.755 1.00 0.00 C ATOM 1645 NE2 HIS A 105 -4.586 4.685 -14.329 1.00 0.00 N ATOM 0 H HIS A 105 -5.543 6.095 -8.103 1.00 0.00 H new ATOM 0 HA HIS A 105 -6.488 6.181 -10.853 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -3.993 6.731 -10.917 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -3.677 5.185 -10.155 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -5.038 6.667 -13.479 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -3.977 2.621 -14.283 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -4.775 4.819 -15.322 1.00 0.00 H new ATOM 1653 N ASP A 106 -5.653 3.654 -8.875 1.00 0.00 N ATOM 1654 CA ASP A 106 -5.975 2.278 -8.452 1.00 0.00 C ATOM 1655 C ASP A 106 -7.234 2.205 -7.551 1.00 0.00 C ATOM 1656 O ASP A 106 -7.268 1.513 -6.531 1.00 0.00 O ATOM 1657 CB ASP A 106 -4.731 1.645 -7.804 1.00 0.00 C ATOM 1658 CG ASP A 106 -3.577 1.473 -8.805 1.00 0.00 C ATOM 1659 OD1 ASP A 106 -3.628 0.531 -9.634 1.00 0.00 O ATOM 1660 OD2 ASP A 106 -2.597 2.257 -8.744 1.00 0.00 O ATOM 0 H ASP A 106 -4.906 4.070 -8.319 1.00 0.00 H new ATOM 0 HA ASP A 106 -6.239 1.694 -9.333 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -4.399 2.268 -6.974 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -4.996 0.673 -7.387 1.00 0.00 H new ATOM 1665 N GLU A 107 -8.271 2.969 -7.904 1.00 0.00 N ATOM 1666 CA GLU A 107 -9.473 3.209 -7.090 1.00 0.00 C ATOM 1667 C GLU A 107 -10.307 1.947 -6.810 1.00 0.00 C ATOM 1668 O GLU A 107 -10.851 1.813 -5.707 1.00 0.00 O ATOM 1669 CB GLU A 107 -10.358 4.258 -7.786 1.00 0.00 C ATOM 1670 CG GLU A 107 -9.678 5.624 -7.944 1.00 0.00 C ATOM 1671 CD GLU A 107 -10.630 6.635 -8.612 1.00 0.00 C ATOM 1672 OE1 GLU A 107 -11.351 7.366 -7.890 1.00 0.00 O ATOM 1673 OE2 GLU A 107 -10.652 6.723 -9.865 1.00 0.00 O ATOM 0 H GLU A 107 -8.301 3.458 -8.799 1.00 0.00 H new ATOM 0 HA GLU A 107 -9.120 3.564 -6.122 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -10.642 3.886 -8.770 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -11.278 4.383 -7.215 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -9.371 5.998 -6.967 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.774 5.518 -8.544 1.00 0.00 H new ATOM 1680 N PHE A 108 -10.402 1.034 -7.788 1.00 0.00 N ATOM 1681 CA PHE A 108 -11.344 -0.096 -7.800 1.00 0.00 C ATOM 1682 C PHE A 108 -10.681 -1.420 -8.228 1.00 0.00 C ATOM 1683 O PHE A 108 -10.904 -2.446 -7.541 1.00 0.00 O ATOM 1684 CB PHE A 108 -12.546 0.250 -8.701 1.00 0.00 C ATOM 1685 CG PHE A 108 -13.176 1.621 -8.481 1.00 0.00 C ATOM 1686 CD1 PHE A 108 -13.603 2.021 -7.198 1.00 0.00 C ATOM 1687 CD2 PHE A 108 -13.325 2.512 -9.564 1.00 0.00 C ATOM 1688 CE1 PHE A 108 -14.174 3.291 -7.000 1.00 0.00 C ATOM 1689 CE2 PHE A 108 -13.898 3.782 -9.366 1.00 0.00 C ATOM 1690 CZ PHE A 108 -14.325 4.172 -8.084 1.00 0.00 C ATOM 0 H PHE A 108 -9.808 1.062 -8.617 1.00 0.00 H new ATOM 0 HA PHE A 108 -11.691 -0.256 -6.779 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -12.226 0.182 -9.741 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -13.315 -0.509 -8.554 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -13.491 1.347 -6.361 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -12.998 2.218 -10.550 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -14.497 3.589 -6.013 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -14.010 4.459 -10.200 1.00 0.00 H new ATOM 0 HZ PHE A 108 -14.768 5.146 -7.933 1.00 0.00 H new TER 1700 PHE A 108