USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 840 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 98 ASN : amide:sc= -1.12 K(o=-1.4,f=-4.3!) USER MOD Set 1.2: A 103 GLN :FLIP amide:sc= -0.257 F(o=-2.8,f=-1.4) USER MOD Single : A 22 GLN : amide:sc= -0.429 X(o=-0.43,f=-0.012) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.145 X(o=-0.15,f=-0.5) USER MOD Single : A 27 GLN : amide:sc= -0.37 X(o=-0.37,f=-0.058) USER MOD Single : A 32 THR OG1 : rot -68:sc= 1.38 USER MOD Single : A 35 GLN : amide:sc= 0.61 K(o=0.61,f=-3!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -0.767 X(o=-0.77,f=-0.35) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 85:sc= 0.563 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.545 X(o=-0.55,f=-0.24) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -76:sc= 0.535 USER MOD Single : A 64 LYS NZ :NH3+ -110:sc= 0.535 (180deg=-0.193) USER MOD Single : A 67 SER OG : rot 27:sc= 0.0266 USER MOD Single : A 68 GLN : amide:sc= -0.214 K(o=-0.21,f=-0.89) USER MOD Single : A 70 THR OG1 : rot 32:sc= 0.328 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 40:sc= 0.113 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0183) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 HIS : no HD1:sc= -0.283 X(o=-0.28,f=0.057) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 28:sc= 0.0277 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 124 ASN : amide:sc= -0.0912 K(o=-0.091,f=-4.5!) USER MOD Single : A 126 MET CE :methyl 178:sc= -0.698 (180deg=-0.715) USER MOD Single : A 127 HIS : no HE2:sc= 0.135 K(o=0.14,f=-0.89) USER MOD Single : A 130 THR OG1 : rot 180:sc=-0.00298 USER MOD Single : A 131 SER OG : rot 34:sc= 0.227 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 22 2.512 -0.545 -0.317 1.00 0.00 N ATOM 2 CA GLN A 22 2.023 0.032 -1.597 1.00 0.00 C ATOM 3 C GLN A 22 1.415 -1.061 -2.492 1.00 0.00 C ATOM 4 O GLN A 22 1.587 -1.027 -3.710 1.00 0.00 O ATOM 5 CB GLN A 22 3.173 0.810 -2.331 1.00 0.00 C ATOM 6 CG GLN A 22 4.526 0.041 -2.452 1.00 0.00 C ATOM 7 CD GLN A 22 5.584 0.409 -1.399 1.00 0.00 C ATOM 8 OE1 GLN A 22 6.779 0.238 -1.630 1.00 0.00 O ATOM 9 NE2 GLN A 22 5.179 1.002 -0.281 1.00 0.00 N ATOM 0 HA GLN A 22 1.233 0.748 -1.373 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.831 1.071 -3.333 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.352 1.746 -1.802 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.325 -1.028 -2.384 1.00 0.00 H new ATOM 0 HG3 GLN A 22 4.943 0.225 -3.442 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.183 1.135 -0.106 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.864 1.324 0.403 1.00 0.00 H new ATOM 18 N MET A 23 0.654 -1.993 -1.874 1.00 0.00 N ATOM 19 CA MET A 23 0.033 -3.142 -2.579 1.00 0.00 C ATOM 20 C MET A 23 -0.841 -2.683 -3.775 1.00 0.00 C ATOM 21 O MET A 23 -0.659 -3.162 -4.892 1.00 0.00 O ATOM 22 CB MET A 23 -0.803 -4.015 -1.578 1.00 0.00 C ATOM 23 CG MET A 23 -1.897 -3.252 -0.810 1.00 0.00 C ATOM 24 SD MET A 23 -2.878 -4.303 0.273 1.00 0.00 S ATOM 25 CE MET A 23 -4.031 -3.109 0.951 1.00 0.00 C ATOM 0 H MET A 23 0.452 -1.971 -0.874 1.00 0.00 H new ATOM 0 HA MET A 23 0.839 -3.753 -2.985 1.00 0.00 H new ATOM 0 HB2 MET A 23 -1.269 -4.830 -2.131 1.00 0.00 H new ATOM 0 HB3 MET A 23 -0.122 -4.468 -0.857 1.00 0.00 H new ATOM 0 HG2 MET A 23 -1.432 -2.465 -0.216 1.00 0.00 H new ATOM 0 HG3 MET A 23 -2.558 -2.763 -1.525 1.00 0.00 H new ATOM 0 HE1 MET A 23 -4.708 -3.609 1.643 1.00 0.00 H new ATOM 0 HE2 MET A 23 -3.480 -2.331 1.480 1.00 0.00 H new ATOM 0 HE3 MET A 23 -4.607 -2.659 0.142 1.00 0.00 H new ATOM 35 N LEU A 24 -1.745 -1.719 -3.515 1.00 0.00 N ATOM 36 CA LEU A 24 -2.663 -1.134 -4.518 1.00 0.00 C ATOM 37 C LEU A 24 -1.898 -0.383 -5.632 1.00 0.00 C ATOM 38 O LEU A 24 -2.285 -0.444 -6.812 1.00 0.00 O ATOM 39 CB LEU A 24 -3.730 -0.209 -3.826 1.00 0.00 C ATOM 40 CG LEU A 24 -3.238 1.052 -3.008 1.00 0.00 C ATOM 41 CD1 LEU A 24 -4.405 2.011 -2.700 1.00 0.00 C ATOM 42 CD2 LEU A 24 -2.511 0.688 -1.686 1.00 0.00 C ATOM 0 H LEU A 24 -1.862 -1.316 -2.585 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.192 -1.957 -4.999 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.409 0.146 -4.601 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.316 -0.832 -3.150 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.513 1.547 -3.654 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.033 2.867 -2.137 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.849 2.356 -3.634 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.159 1.489 -2.111 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.202 1.601 -1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.187 0.125 -1.042 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.633 0.081 -1.909 1.00 0.00 H new ATOM 54 N LEU A 25 -0.784 0.285 -5.243 1.00 0.00 N ATOM 55 CA LEU A 25 0.115 0.987 -6.190 1.00 0.00 C ATOM 56 C LEU A 25 0.762 -0.018 -7.152 1.00 0.00 C ATOM 57 O LEU A 25 0.787 0.208 -8.358 1.00 0.00 O ATOM 58 CB LEU A 25 1.242 1.788 -5.453 1.00 0.00 C ATOM 59 CG LEU A 25 0.839 3.109 -4.715 1.00 0.00 C ATOM 60 CD1 LEU A 25 0.193 4.115 -5.691 1.00 0.00 C ATOM 61 CD2 LEU A 25 -0.072 2.854 -3.498 1.00 0.00 C ATOM 0 H LEU A 25 -0.486 0.352 -4.270 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.499 1.697 -6.744 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.701 1.123 -4.722 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.010 2.035 -6.186 1.00 0.00 H new ATOM 0 HG LEU A 25 1.760 3.546 -4.330 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.077 5.023 -5.152 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.901 4.360 -6.483 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.702 3.673 -6.129 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.320 3.804 -3.024 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.988 2.361 -3.826 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.447 2.216 -2.782 1.00 0.00 H new ATOM 73 N ASN A 26 1.253 -1.135 -6.584 1.00 0.00 N ATOM 74 CA ASN A 26 2.047 -2.144 -7.328 1.00 0.00 C ATOM 75 C ASN A 26 1.151 -2.975 -8.251 1.00 0.00 C ATOM 76 O ASN A 26 1.565 -3.327 -9.362 1.00 0.00 O ATOM 77 CB ASN A 26 2.824 -3.071 -6.355 1.00 0.00 C ATOM 78 CG ASN A 26 3.865 -2.335 -5.503 1.00 0.00 C ATOM 79 OD1 ASN A 26 4.393 -1.290 -5.887 1.00 0.00 O ATOM 80 ND2 ASN A 26 4.180 -2.879 -4.342 1.00 0.00 N ATOM 0 H ASN A 26 1.114 -1.368 -5.601 1.00 0.00 H new ATOM 0 HA ASN A 26 2.770 -1.607 -7.942 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.113 -3.568 -5.695 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.324 -3.850 -6.931 1.00 0.00 H new ATOM 0 HD21 ASN A 26 4.874 -2.434 -3.742 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.729 -3.745 -4.045 1.00 0.00 H new ATOM 87 N GLN A 27 -0.079 -3.279 -7.769 1.00 0.00 N ATOM 88 CA GLN A 27 -1.106 -3.982 -8.559 1.00 0.00 C ATOM 89 C GLN A 27 -1.444 -3.170 -9.802 1.00 0.00 C ATOM 90 O GLN A 27 -1.362 -3.684 -10.931 1.00 0.00 O ATOM 91 CB GLN A 27 -2.398 -4.241 -7.718 1.00 0.00 C ATOM 92 CG GLN A 27 -2.250 -5.290 -6.597 1.00 0.00 C ATOM 93 CD GLN A 27 -1.879 -6.701 -7.084 1.00 0.00 C ATOM 94 OE1 GLN A 27 -1.172 -7.431 -6.392 1.00 0.00 O ATOM 95 NE2 GLN A 27 -2.384 -7.117 -8.240 1.00 0.00 N ATOM 0 H GLN A 27 -0.381 -3.042 -6.824 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.703 -4.951 -8.854 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.718 -3.299 -7.273 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.193 -4.561 -8.391 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.487 -4.949 -5.897 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.188 -5.346 -6.044 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -2.968 -6.492 -8.796 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.188 -8.061 -8.572 1.00 0.00 H new ATOM 104 N LEU A 28 -1.777 -1.874 -9.573 1.00 0.00 N ATOM 105 CA LEU A 28 -2.142 -0.958 -10.652 1.00 0.00 C ATOM 106 C LEU A 28 -0.976 -0.773 -11.633 1.00 0.00 C ATOM 107 O LEU A 28 -1.174 -0.854 -12.837 1.00 0.00 O ATOM 108 CB LEU A 28 -2.600 0.418 -10.105 1.00 0.00 C ATOM 109 CG LEU A 28 -3.493 1.222 -11.093 1.00 0.00 C ATOM 110 CD1 LEU A 28 -4.835 0.507 -11.327 1.00 0.00 C ATOM 111 CD2 LEU A 28 -3.715 2.655 -10.621 1.00 0.00 C ATOM 0 H LEU A 28 -1.796 -1.452 -8.645 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.981 -1.407 -11.183 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.149 0.264 -9.176 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.720 1.012 -9.860 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.961 1.272 -12.043 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.441 1.089 -12.021 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.652 -0.482 -11.746 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.364 0.407 -10.379 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.343 3.181 -11.339 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.206 2.646 -9.648 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.755 3.164 -10.538 1.00 0.00 H new ATOM 123 N ARG A 29 0.235 -0.572 -11.084 1.00 0.00 N ATOM 124 CA ARG A 29 1.472 -0.344 -11.867 1.00 0.00 C ATOM 125 C ARG A 29 1.758 -1.508 -12.820 1.00 0.00 C ATOM 126 O ARG A 29 2.207 -1.299 -13.954 1.00 0.00 O ATOM 127 CB ARG A 29 2.672 -0.160 -10.898 1.00 0.00 C ATOM 128 CG ARG A 29 4.049 0.047 -11.568 1.00 0.00 C ATOM 129 CD ARG A 29 5.162 0.326 -10.553 1.00 0.00 C ATOM 130 NE ARG A 29 6.478 0.407 -11.199 1.00 0.00 N ATOM 131 CZ ARG A 29 7.635 0.696 -10.577 1.00 0.00 C ATOM 132 NH1 ARG A 29 7.659 0.977 -9.275 1.00 0.00 N ATOM 133 NH2 ARG A 29 8.763 0.698 -11.262 1.00 0.00 N ATOM 0 H ARG A 29 0.389 -0.562 -10.076 1.00 0.00 H new ATOM 0 HA ARG A 29 1.331 0.556 -12.466 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.469 0.697 -10.256 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.731 -1.036 -10.252 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.304 -0.841 -12.147 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.986 0.878 -12.270 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.954 1.261 -10.033 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.174 -0.462 -9.800 1.00 0.00 H new ATOM 0 HE ARG A 29 6.518 0.229 -12.203 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.793 0.975 -8.737 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.544 1.194 -8.816 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.755 0.481 -12.259 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.643 0.917 -10.795 1.00 0.00 H new ATOM 147 N GLU A 30 1.502 -2.731 -12.324 1.00 0.00 N ATOM 148 CA GLU A 30 1.708 -3.962 -13.088 1.00 0.00 C ATOM 149 C GLU A 30 0.724 -4.037 -14.270 1.00 0.00 C ATOM 150 O GLU A 30 1.140 -4.226 -15.419 1.00 0.00 O ATOM 151 CB GLU A 30 1.557 -5.205 -12.159 1.00 0.00 C ATOM 152 CG GLU A 30 1.944 -6.555 -12.810 1.00 0.00 C ATOM 153 CD GLU A 30 3.413 -6.587 -13.281 1.00 0.00 C ATOM 154 OE1 GLU A 30 4.305 -6.930 -12.472 1.00 0.00 O ATOM 155 OE2 GLU A 30 3.690 -6.242 -14.455 1.00 0.00 O ATOM 0 H GLU A 30 1.146 -2.888 -11.381 1.00 0.00 H new ATOM 0 HA GLU A 30 2.720 -3.957 -13.492 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.174 -5.055 -11.273 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.522 -5.264 -11.821 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.778 -7.360 -12.094 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.289 -6.745 -13.661 1.00 0.00 H new ATOM 162 N ILE A 31 -0.574 -3.835 -13.975 1.00 0.00 N ATOM 163 CA ILE A 31 -1.672 -4.054 -14.950 1.00 0.00 C ATOM 164 C ILE A 31 -1.873 -2.859 -15.923 1.00 0.00 C ATOM 165 O ILE A 31 -2.456 -3.037 -16.998 1.00 0.00 O ATOM 166 CB ILE A 31 -3.015 -4.422 -14.203 1.00 0.00 C ATOM 167 CG1 ILE A 31 -3.508 -3.250 -13.283 1.00 0.00 C ATOM 168 CG2 ILE A 31 -2.833 -5.737 -13.387 1.00 0.00 C ATOM 169 CD1 ILE A 31 -4.710 -3.575 -12.401 1.00 0.00 C ATOM 0 H ILE A 31 -0.895 -3.517 -13.061 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.376 -4.899 -15.572 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.786 -4.583 -14.956 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.682 -2.940 -12.643 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.760 -2.397 -13.913 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.765 -5.980 -12.877 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.566 -6.550 -14.062 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.041 -5.602 -12.651 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.971 -2.700 -11.805 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.557 -3.853 -13.028 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.462 -4.404 -11.739 1.00 0.00 H new ATOM 181 N THR A 32 -1.375 -1.653 -15.560 1.00 0.00 N ATOM 182 CA THR A 32 -1.466 -0.443 -16.425 1.00 0.00 C ATOM 183 C THR A 32 -0.145 -0.214 -17.172 1.00 0.00 C ATOM 184 O THR A 32 -0.133 0.096 -18.366 1.00 0.00 O ATOM 185 CB THR A 32 -1.834 0.848 -15.607 1.00 0.00 C ATOM 186 OG1 THR A 32 -0.819 1.128 -14.621 1.00 0.00 O ATOM 187 CG2 THR A 32 -3.211 0.714 -14.923 1.00 0.00 C ATOM 0 H THR A 32 -0.903 -1.488 -14.671 1.00 0.00 H new ATOM 0 HA THR A 32 -2.267 -0.628 -17.141 1.00 0.00 H new ATOM 0 HB THR A 32 -1.887 1.678 -16.312 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.838 0.437 -13.926 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.431 1.625 -14.367 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.979 0.556 -15.680 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.196 -0.134 -14.238 1.00 0.00 H new ATOM 195 N GLY A 33 0.964 -0.384 -16.443 1.00 0.00 N ATOM 196 CA GLY A 33 2.315 -0.158 -16.973 1.00 0.00 C ATOM 197 C GLY A 33 2.870 1.201 -16.579 1.00 0.00 C ATOM 198 O GLY A 33 4.004 1.546 -16.947 1.00 0.00 O ATOM 0 H GLY A 33 0.951 -0.682 -15.468 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.981 -0.940 -16.608 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.295 -0.238 -18.060 1.00 0.00 H new ATOM 202 N ILE A 34 2.065 1.980 -15.823 1.00 0.00 N ATOM 203 CA ILE A 34 2.442 3.306 -15.330 1.00 0.00 C ATOM 204 C ILE A 34 3.324 3.158 -14.085 1.00 0.00 C ATOM 205 O ILE A 34 2.858 2.704 -13.032 1.00 0.00 O ATOM 206 CB ILE A 34 1.161 4.162 -15.017 1.00 0.00 C ATOM 207 CG1 ILE A 34 0.323 4.372 -16.323 1.00 0.00 C ATOM 208 CG2 ILE A 34 1.515 5.518 -14.345 1.00 0.00 C ATOM 209 CD1 ILE A 34 -1.033 5.014 -16.117 1.00 0.00 C ATOM 0 H ILE A 34 1.127 1.695 -15.540 1.00 0.00 H new ATOM 0 HA ILE A 34 3.009 3.829 -16.100 1.00 0.00 H new ATOM 0 HB ILE A 34 0.555 3.610 -14.299 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.900 4.990 -17.011 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.181 3.405 -16.805 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.600 6.076 -14.147 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.038 5.333 -13.406 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.156 6.097 -15.010 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.537 5.117 -17.078 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.635 4.389 -15.457 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.905 5.998 -15.667 1.00 0.00 H new ATOM 221 N GLN A 35 4.605 3.525 -14.236 1.00 0.00 N ATOM 222 CA GLN A 35 5.614 3.427 -13.172 1.00 0.00 C ATOM 223 C GLN A 35 5.409 4.537 -12.132 1.00 0.00 C ATOM 224 O GLN A 35 5.645 4.312 -10.939 1.00 0.00 O ATOM 225 CB GLN A 35 7.041 3.502 -13.776 1.00 0.00 C ATOM 226 CG GLN A 35 7.315 2.512 -14.931 1.00 0.00 C ATOM 227 CD GLN A 35 7.091 1.048 -14.544 1.00 0.00 C ATOM 228 OE1 GLN A 35 8.002 0.383 -14.049 1.00 0.00 O ATOM 229 NE2 GLN A 35 5.893 0.530 -14.781 1.00 0.00 N ATOM 0 H GLN A 35 4.973 3.902 -15.109 1.00 0.00 H new ATOM 0 HA GLN A 35 5.500 2.465 -12.672 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.213 4.516 -14.138 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.765 3.320 -12.982 1.00 0.00 H new ATOM 0 HG2 GLN A 35 6.669 2.760 -15.773 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.343 2.637 -15.270 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.160 1.108 -15.192 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.705 -0.446 -14.552 1.00 0.00 H new ATOM 238 N ASP A 36 4.967 5.727 -12.615 1.00 0.00 N ATOM 239 CA ASP A 36 4.684 6.919 -11.779 1.00 0.00 C ATOM 240 C ASP A 36 3.652 6.597 -10.677 1.00 0.00 C ATOM 241 O ASP A 36 2.462 6.463 -10.992 1.00 0.00 O ATOM 242 CB ASP A 36 4.155 8.087 -12.660 1.00 0.00 C ATOM 243 CG ASP A 36 5.223 8.658 -13.608 1.00 0.00 C ATOM 244 OD1 ASP A 36 5.947 9.599 -13.209 1.00 0.00 O ATOM 245 OD2 ASP A 36 5.334 8.184 -14.758 1.00 0.00 O ATOM 0 H ASP A 36 4.796 5.886 -13.608 1.00 0.00 H new ATOM 0 HA ASP A 36 5.618 7.218 -11.304 1.00 0.00 H new ATOM 0 HB2 ASP A 36 3.307 7.736 -13.247 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.787 8.884 -12.014 1.00 0.00 H new ATOM 250 N PRO A 37 4.080 6.484 -9.364 1.00 0.00 N ATOM 251 CA PRO A 37 3.180 6.085 -8.255 1.00 0.00 C ATOM 252 C PRO A 37 2.123 7.163 -7.950 1.00 0.00 C ATOM 253 O PRO A 37 1.073 6.858 -7.383 1.00 0.00 O ATOM 254 CB PRO A 37 4.145 5.841 -7.061 1.00 0.00 C ATOM 255 CG PRO A 37 5.320 6.724 -7.352 1.00 0.00 C ATOM 256 CD PRO A 37 5.459 6.755 -8.866 1.00 0.00 C ATOM 0 HA PRO A 37 2.590 5.200 -8.493 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.677 6.101 -6.111 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.440 4.794 -6.995 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.162 7.727 -6.954 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.225 6.335 -6.885 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.825 7.721 -9.213 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.165 6.002 -9.217 1.00 0.00 H new ATOM 264 N SER A 38 2.406 8.416 -8.363 1.00 0.00 N ATOM 265 CA SER A 38 1.485 9.550 -8.206 1.00 0.00 C ATOM 266 C SER A 38 0.233 9.362 -9.075 1.00 0.00 C ATOM 267 O SER A 38 -0.880 9.548 -8.588 1.00 0.00 O ATOM 268 CB SER A 38 2.211 10.870 -8.562 1.00 0.00 C ATOM 269 OG SER A 38 3.375 11.046 -7.765 1.00 0.00 O ATOM 0 H SER A 38 3.285 8.666 -8.816 1.00 0.00 H new ATOM 0 HA SER A 38 1.162 9.598 -7.166 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.486 10.864 -9.617 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.535 11.712 -8.414 1.00 0.00 H new ATOM 0 HG SER A 38 3.816 11.886 -8.011 1.00 0.00 H new ATOM 275 N PHE A 39 0.439 8.938 -10.345 1.00 0.00 N ATOM 276 CA PHE A 39 -0.649 8.716 -11.330 1.00 0.00 C ATOM 277 C PHE A 39 -1.554 7.554 -10.874 1.00 0.00 C ATOM 278 O PHE A 39 -2.774 7.553 -11.107 1.00 0.00 O ATOM 279 CB PHE A 39 -0.033 8.457 -12.743 1.00 0.00 C ATOM 280 CG PHE A 39 -0.856 9.039 -13.906 1.00 0.00 C ATOM 281 CD1 PHE A 39 -0.764 10.395 -14.235 1.00 0.00 C ATOM 282 CD2 PHE A 39 -1.721 8.252 -14.659 1.00 0.00 C ATOM 283 CE1 PHE A 39 -1.501 10.933 -15.276 1.00 0.00 C ATOM 284 CE2 PHE A 39 -2.455 8.793 -15.702 1.00 0.00 C ATOM 285 CZ PHE A 39 -2.349 10.131 -16.008 1.00 0.00 C ATOM 0 H PHE A 39 1.368 8.739 -10.717 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.274 9.607 -11.394 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.970 8.883 -12.773 1.00 0.00 H new ATOM 0 HB3 PHE A 39 0.073 7.382 -12.890 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.105 11.035 -13.666 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -1.822 7.202 -14.427 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.411 11.982 -15.515 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -3.114 8.161 -16.279 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.928 10.550 -16.818 1.00 0.00 H new ATOM 295 N LEU A 40 -0.925 6.601 -10.174 1.00 0.00 N ATOM 296 CA LEU A 40 -1.593 5.433 -9.603 1.00 0.00 C ATOM 297 C LEU A 40 -2.456 5.838 -8.395 1.00 0.00 C ATOM 298 O LEU A 40 -3.580 5.357 -8.252 1.00 0.00 O ATOM 299 CB LEU A 40 -0.530 4.380 -9.201 1.00 0.00 C ATOM 300 CG LEU A 40 0.492 3.991 -10.315 1.00 0.00 C ATOM 301 CD1 LEU A 40 1.579 3.044 -9.773 1.00 0.00 C ATOM 302 CD2 LEU A 40 -0.210 3.409 -11.565 1.00 0.00 C ATOM 0 H LEU A 40 0.078 6.624 -9.988 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.257 4.997 -10.349 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.024 4.759 -8.342 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.045 3.477 -8.875 1.00 0.00 H new ATOM 0 HG LEU A 40 0.989 4.907 -10.633 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.275 2.792 -10.574 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.119 3.536 -8.964 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.113 2.133 -9.397 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.538 3.152 -12.315 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.767 2.515 -11.286 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.896 4.150 -11.975 1.00 0.00 H new ATOM 314 N HIS A 41 -1.904 6.722 -7.529 1.00 0.00 N ATOM 315 CA HIS A 41 -2.644 7.316 -6.393 1.00 0.00 C ATOM 316 C HIS A 41 -3.859 8.111 -6.887 1.00 0.00 C ATOM 317 O HIS A 41 -4.926 8.022 -6.290 1.00 0.00 O ATOM 318 CB HIS A 41 -1.743 8.261 -5.530 1.00 0.00 C ATOM 319 CG HIS A 41 -0.826 7.594 -4.534 1.00 0.00 C ATOM 320 ND1 HIS A 41 -1.295 6.943 -3.415 1.00 0.00 N ATOM 321 CD2 HIS A 41 0.529 7.517 -4.462 1.00 0.00 C ATOM 322 CE1 HIS A 41 -0.274 6.512 -2.700 1.00 0.00 C ATOM 323 NE2 HIS A 41 0.838 6.841 -3.317 1.00 0.00 N ATOM 0 H HIS A 41 -0.938 7.041 -7.599 1.00 0.00 H new ATOM 0 HA HIS A 41 -2.972 6.483 -5.771 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -1.134 8.862 -6.205 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -2.392 8.950 -4.988 1.00 0.00 H new ATOM 0 HD2 HIS A 41 1.231 7.917 -5.178 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -0.341 5.978 -1.764 1.00 0.00 H new ATOM 0 HE2 HIS A 41 1.781 6.626 -2.993 1.00 0.00 H new ATOM 332 N GLU A 42 -3.667 8.899 -7.965 1.00 0.00 N ATOM 333 CA GLU A 42 -4.717 9.747 -8.552 1.00 0.00 C ATOM 334 C GLU A 42 -5.883 8.906 -9.090 1.00 0.00 C ATOM 335 O GLU A 42 -7.052 9.303 -8.948 1.00 0.00 O ATOM 336 CB GLU A 42 -4.110 10.631 -9.676 1.00 0.00 C ATOM 337 CG GLU A 42 -3.105 11.692 -9.171 1.00 0.00 C ATOM 338 CD GLU A 42 -2.428 12.502 -10.297 1.00 0.00 C ATOM 339 OE1 GLU A 42 -2.973 13.553 -10.695 1.00 0.00 O ATOM 340 OE2 GLU A 42 -1.348 12.092 -10.782 1.00 0.00 O ATOM 0 H GLU A 42 -2.773 8.963 -8.453 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.117 10.391 -7.769 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.610 9.987 -10.399 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.919 11.135 -10.204 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.624 12.380 -8.504 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.335 11.196 -8.581 1.00 0.00 H new ATOM 347 N ALA A 43 -5.554 7.752 -9.704 1.00 0.00 N ATOM 348 CA ALA A 43 -6.547 6.775 -10.172 1.00 0.00 C ATOM 349 C ALA A 43 -7.314 6.142 -8.996 1.00 0.00 C ATOM 350 O ALA A 43 -8.546 6.057 -9.028 1.00 0.00 O ATOM 351 CB ALA A 43 -5.859 5.694 -11.006 1.00 0.00 C ATOM 0 H ALA A 43 -4.590 7.474 -9.888 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.273 7.299 -10.793 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.600 4.973 -11.350 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.373 6.153 -11.867 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.113 5.184 -10.397 1.00 0.00 H new ATOM 357 N LEU A 44 -6.555 5.717 -7.955 1.00 0.00 N ATOM 358 CA LEU A 44 -7.103 5.066 -6.738 1.00 0.00 C ATOM 359 C LEU A 44 -7.958 6.061 -5.923 1.00 0.00 C ATOM 360 O LEU A 44 -8.917 5.664 -5.264 1.00 0.00 O ATOM 361 CB LEU A 44 -5.951 4.446 -5.853 1.00 0.00 C ATOM 362 CG LEU A 44 -5.646 2.915 -6.063 1.00 0.00 C ATOM 363 CD1 LEU A 44 -6.874 2.045 -5.735 1.00 0.00 C ATOM 364 CD2 LEU A 44 -5.124 2.618 -7.461 1.00 0.00 C ATOM 0 H LEU A 44 -5.540 5.817 -7.936 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.749 4.248 -7.056 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.035 5.005 -6.045 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.205 4.602 -4.805 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.853 2.655 -5.362 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.628 0.995 -5.891 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.162 2.200 -4.695 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.702 2.324 -6.386 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.928 1.550 -7.557 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.868 2.918 -8.199 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.201 3.173 -7.630 1.00 0.00 H new ATOM 376 N LYS A 45 -7.598 7.348 -5.999 1.00 0.00 N ATOM 377 CA LYS A 45 -8.303 8.447 -5.310 1.00 0.00 C ATOM 378 C LYS A 45 -9.626 8.763 -6.033 1.00 0.00 C ATOM 379 O LYS A 45 -10.655 8.994 -5.387 1.00 0.00 O ATOM 380 CB LYS A 45 -7.339 9.681 -5.206 1.00 0.00 C ATOM 381 CG LYS A 45 -7.984 11.077 -4.949 1.00 0.00 C ATOM 382 CD LYS A 45 -8.283 11.858 -6.260 1.00 0.00 C ATOM 383 CE LYS A 45 -7.022 12.348 -6.979 1.00 0.00 C ATOM 384 NZ LYS A 45 -7.353 13.052 -8.245 1.00 0.00 N ATOM 0 H LYS A 45 -6.798 7.664 -6.547 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.575 8.159 -4.295 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.628 9.486 -4.403 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.767 9.740 -6.132 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.911 10.946 -4.391 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.317 11.670 -4.323 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.851 11.217 -6.934 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.915 12.715 -6.027 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.466 13.019 -6.324 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.372 11.500 -7.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.476 13.370 -8.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.862 12.404 -8.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.953 13.876 -8.038 1.00 0.00 H new ATOM 398 N ALA A 46 -9.575 8.749 -7.382 1.00 0.00 N ATOM 399 CA ALA A 46 -10.755 8.962 -8.249 1.00 0.00 C ATOM 400 C ALA A 46 -11.761 7.813 -8.075 1.00 0.00 C ATOM 401 O ALA A 46 -12.980 8.017 -8.114 1.00 0.00 O ATOM 402 CB ALA A 46 -10.316 9.079 -9.720 1.00 0.00 C ATOM 0 H ALA A 46 -8.712 8.589 -7.902 1.00 0.00 H new ATOM 0 HA ALA A 46 -11.243 9.892 -7.957 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.192 9.236 -10.350 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.634 9.922 -9.830 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.811 8.162 -10.023 1.00 0.00 H new ATOM 408 N SER A 47 -11.214 6.605 -7.863 1.00 0.00 N ATOM 409 CA SER A 47 -11.994 5.373 -7.663 1.00 0.00 C ATOM 410 C SER A 47 -12.287 5.126 -6.167 1.00 0.00 C ATOM 411 O SER A 47 -12.950 4.142 -5.825 1.00 0.00 O ATOM 412 CB SER A 47 -11.197 4.205 -8.252 1.00 0.00 C ATOM 413 OG SER A 47 -10.903 4.445 -9.614 1.00 0.00 O ATOM 0 H SER A 47 -10.206 6.455 -7.825 1.00 0.00 H new ATOM 0 HA SER A 47 -12.957 5.469 -8.165 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.272 4.069 -7.692 1.00 0.00 H new ATOM 0 HB3 SER A 47 -11.767 3.281 -8.154 1.00 0.00 H new ATOM 0 HG SER A 47 -10.091 4.990 -9.682 1.00 0.00 H new ATOM 419 N ASN A 48 -11.735 6.009 -5.292 1.00 0.00 N ATOM 420 CA ASN A 48 -11.963 6.017 -3.824 1.00 0.00 C ATOM 421 C ASN A 48 -11.461 4.722 -3.136 1.00 0.00 C ATOM 422 O ASN A 48 -11.871 4.398 -2.014 1.00 0.00 O ATOM 423 CB ASN A 48 -13.459 6.314 -3.503 1.00 0.00 C ATOM 424 CG ASN A 48 -13.893 7.696 -4.009 1.00 0.00 C ATOM 425 OD1 ASN A 48 -13.770 8.697 -3.302 1.00 0.00 O ATOM 426 ND2 ASN A 48 -14.402 7.764 -5.232 1.00 0.00 N ATOM 0 H ASN A 48 -11.105 6.751 -5.596 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.364 6.825 -3.404 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -14.086 5.548 -3.959 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -13.617 6.256 -2.426 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -14.704 8.662 -5.610 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -14.492 6.918 -5.795 1.00 0.00 H new ATOM 433 N GLY A 49 -10.539 4.009 -3.819 1.00 0.00 N ATOM 434 CA GLY A 49 -9.881 2.820 -3.276 1.00 0.00 C ATOM 435 C GLY A 49 -10.102 1.572 -4.111 1.00 0.00 C ATOM 436 O GLY A 49 -9.514 0.527 -3.809 1.00 0.00 O ATOM 0 H GLY A 49 -10.236 4.249 -4.763 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.811 3.010 -3.198 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -10.248 2.641 -2.265 1.00 0.00 H new ATOM 440 N ASP A 50 -10.943 1.668 -5.163 1.00 0.00 N ATOM 441 CA ASP A 50 -11.269 0.514 -6.020 1.00 0.00 C ATOM 442 C ASP A 50 -10.241 0.363 -7.158 1.00 0.00 C ATOM 443 O ASP A 50 -10.139 1.226 -8.043 1.00 0.00 O ATOM 444 CB ASP A 50 -12.697 0.635 -6.598 1.00 0.00 C ATOM 445 CG ASP A 50 -13.098 -0.597 -7.424 1.00 0.00 C ATOM 446 OD1 ASP A 50 -13.013 -1.722 -6.900 1.00 0.00 O ATOM 447 OD2 ASP A 50 -13.484 -0.451 -8.594 1.00 0.00 O ATOM 0 H ASP A 50 -11.407 2.534 -5.437 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.227 -0.380 -5.398 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.407 0.769 -5.782 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -12.759 1.525 -7.224 1.00 0.00 H new ATOM 452 N ILE A 51 -9.502 -0.757 -7.125 1.00 0.00 N ATOM 453 CA ILE A 51 -8.440 -1.069 -8.095 1.00 0.00 C ATOM 454 C ILE A 51 -9.014 -1.290 -9.529 1.00 0.00 C ATOM 455 O ILE A 51 -8.361 -0.944 -10.521 1.00 0.00 O ATOM 456 CB ILE A 51 -7.611 -2.332 -7.619 1.00 0.00 C ATOM 457 CG1 ILE A 51 -6.357 -2.582 -8.534 1.00 0.00 C ATOM 458 CG2 ILE A 51 -8.503 -3.596 -7.487 1.00 0.00 C ATOM 459 CD1 ILE A 51 -5.227 -1.582 -8.333 1.00 0.00 C ATOM 0 H ILE A 51 -9.626 -1.480 -6.416 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.771 -0.210 -8.143 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.235 -2.112 -6.620 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.977 -3.586 -8.343 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.671 -2.553 -9.577 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.894 -4.438 -7.158 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.291 -3.411 -6.757 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.951 -3.827 -8.453 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.402 -1.826 -9.002 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.587 -0.577 -8.553 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.882 -1.626 -7.300 1.00 0.00 H new ATOM 471 N THR A 52 -10.252 -1.830 -9.610 1.00 0.00 N ATOM 472 CA THR A 52 -10.940 -2.143 -10.885 1.00 0.00 C ATOM 473 C THR A 52 -11.278 -0.863 -11.684 1.00 0.00 C ATOM 474 O THR A 52 -11.015 -0.791 -12.895 1.00 0.00 O ATOM 475 CB THR A 52 -12.238 -2.989 -10.627 1.00 0.00 C ATOM 476 OG1 THR A 52 -11.889 -4.244 -10.029 1.00 0.00 O ATOM 477 CG2 THR A 52 -13.055 -3.249 -11.912 1.00 0.00 C ATOM 0 H THR A 52 -10.806 -2.063 -8.786 1.00 0.00 H new ATOM 0 HA THR A 52 -10.252 -2.736 -11.487 1.00 0.00 H new ATOM 0 HB THR A 52 -12.866 -2.403 -9.956 1.00 0.00 H new ATOM 0 HG1 THR A 52 -12.702 -4.767 -9.868 1.00 0.00 H new ATOM 0 HG21 THR A 52 -13.939 -3.838 -11.668 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.361 -2.298 -12.347 1.00 0.00 H new ATOM 0 HG23 THR A 52 -12.442 -3.795 -12.629 1.00 0.00 H new ATOM 485 N GLN A 53 -11.858 0.145 -11.007 1.00 0.00 N ATOM 486 CA GLN A 53 -12.166 1.438 -11.639 1.00 0.00 C ATOM 487 C GLN A 53 -10.877 2.185 -11.953 1.00 0.00 C ATOM 488 O GLN A 53 -10.778 2.795 -13.007 1.00 0.00 O ATOM 489 CB GLN A 53 -13.114 2.296 -10.753 1.00 0.00 C ATOM 490 CG GLN A 53 -14.587 1.840 -10.752 1.00 0.00 C ATOM 491 CD GLN A 53 -15.240 1.944 -12.132 1.00 0.00 C ATOM 492 OE1 GLN A 53 -15.815 2.974 -12.480 1.00 0.00 O ATOM 493 NE2 GLN A 53 -15.148 0.886 -12.927 1.00 0.00 N ATOM 0 H GLN A 53 -12.122 0.088 -10.023 1.00 0.00 H new ATOM 0 HA GLN A 53 -12.692 1.245 -12.574 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -12.743 2.281 -9.728 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -13.069 3.331 -11.093 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -14.643 0.808 -10.405 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -15.150 2.446 -10.042 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -14.664 0.048 -12.606 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -15.562 0.911 -13.859 1.00 0.00 H new ATOM 502 N ALA A 54 -9.885 2.090 -11.046 1.00 0.00 N ATOM 503 CA ALA A 54 -8.576 2.749 -11.203 1.00 0.00 C ATOM 504 C ALA A 54 -7.896 2.368 -12.535 1.00 0.00 C ATOM 505 O ALA A 54 -7.496 3.251 -13.315 1.00 0.00 O ATOM 506 CB ALA A 54 -7.683 2.409 -10.006 1.00 0.00 C ATOM 0 H ALA A 54 -9.970 1.553 -10.183 1.00 0.00 H new ATOM 0 HA ALA A 54 -8.735 3.827 -11.232 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.715 2.897 -10.124 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.156 2.758 -9.088 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.541 1.330 -9.953 1.00 0.00 H new ATOM 512 N VAL A 55 -7.811 1.047 -12.803 1.00 0.00 N ATOM 513 CA VAL A 55 -7.231 0.517 -14.056 1.00 0.00 C ATOM 514 C VAL A 55 -8.116 0.872 -15.262 1.00 0.00 C ATOM 515 O VAL A 55 -7.601 1.265 -16.303 1.00 0.00 O ATOM 516 CB VAL A 55 -6.960 -1.044 -13.986 1.00 0.00 C ATOM 517 CG1 VAL A 55 -8.226 -1.867 -13.680 1.00 0.00 C ATOM 518 CG2 VAL A 55 -6.261 -1.565 -15.269 1.00 0.00 C ATOM 0 H VAL A 55 -8.139 0.324 -12.163 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.261 0.998 -14.186 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.282 -1.187 -13.145 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.972 -2.926 -13.646 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.635 -1.561 -12.717 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.968 -1.697 -14.460 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.093 -2.638 -15.181 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.893 -1.366 -16.134 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.305 -1.057 -15.394 1.00 0.00 H new ATOM 528 N SER A 56 -9.456 0.789 -15.079 1.00 0.00 N ATOM 529 CA SER A 56 -10.440 1.105 -16.140 1.00 0.00 C ATOM 530 C SER A 56 -10.341 2.582 -16.597 1.00 0.00 C ATOM 531 O SER A 56 -10.591 2.893 -17.768 1.00 0.00 O ATOM 532 CB SER A 56 -11.870 0.784 -15.637 1.00 0.00 C ATOM 533 OG SER A 56 -12.862 1.015 -16.632 1.00 0.00 O ATOM 0 H SER A 56 -9.882 0.503 -14.197 1.00 0.00 H new ATOM 0 HA SER A 56 -10.214 0.485 -17.008 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.915 -0.258 -15.319 1.00 0.00 H new ATOM 0 HB3 SER A 56 -12.089 1.395 -14.761 1.00 0.00 H new ATOM 0 HG SER A 56 -13.746 0.797 -16.269 1.00 0.00 H new ATOM 539 N LEU A 57 -9.958 3.469 -15.664 1.00 0.00 N ATOM 540 CA LEU A 57 -9.834 4.919 -15.906 1.00 0.00 C ATOM 541 C LEU A 57 -8.478 5.271 -16.546 1.00 0.00 C ATOM 542 O LEU A 57 -8.401 6.167 -17.396 1.00 0.00 O ATOM 543 CB LEU A 57 -10.040 5.694 -14.575 1.00 0.00 C ATOM 544 CG LEU A 57 -11.487 5.640 -13.978 1.00 0.00 C ATOM 545 CD1 LEU A 57 -11.545 6.241 -12.552 1.00 0.00 C ATOM 546 CD2 LEU A 57 -12.508 6.320 -14.927 1.00 0.00 C ATOM 0 H LEU A 57 -9.723 3.198 -14.709 1.00 0.00 H new ATOM 0 HA LEU A 57 -10.609 5.217 -16.612 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -9.345 5.299 -13.834 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.772 6.738 -14.738 1.00 0.00 H new ATOM 0 HG LEU A 57 -11.765 4.590 -13.890 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -12.566 6.184 -12.174 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.883 5.679 -11.893 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -11.227 7.283 -12.583 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -13.504 6.268 -14.487 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -12.230 7.364 -15.073 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -12.509 5.807 -15.889 1.00 0.00 H new ATOM 558 N LEU A 58 -7.409 4.560 -16.142 1.00 0.00 N ATOM 559 CA LEU A 58 -6.061 4.761 -16.726 1.00 0.00 C ATOM 560 C LEU A 58 -5.970 4.185 -18.148 1.00 0.00 C ATOM 561 O LEU A 58 -5.198 4.679 -18.974 1.00 0.00 O ATOM 562 CB LEU A 58 -4.955 4.166 -15.819 1.00 0.00 C ATOM 563 CG LEU A 58 -4.800 4.831 -14.412 1.00 0.00 C ATOM 564 CD1 LEU A 58 -3.586 4.271 -13.658 1.00 0.00 C ATOM 565 CD2 LEU A 58 -4.732 6.375 -14.503 1.00 0.00 C ATOM 0 H LEU A 58 -7.447 3.843 -15.417 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.897 5.837 -16.791 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.159 3.104 -15.678 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.002 4.241 -16.343 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.695 4.579 -13.844 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.508 4.755 -12.684 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.707 3.196 -13.521 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.680 4.464 -14.233 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.624 6.794 -13.503 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.876 6.666 -15.112 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.647 6.753 -14.958 1.00 0.00 H new ATOM 577 N THR A 59 -6.763 3.137 -18.425 1.00 0.00 N ATOM 578 CA THR A 59 -6.883 2.564 -19.775 1.00 0.00 C ATOM 579 C THR A 59 -7.799 3.445 -20.643 1.00 0.00 C ATOM 580 O THR A 59 -7.593 3.542 -21.845 1.00 0.00 O ATOM 581 CB THR A 59 -7.426 1.097 -19.740 1.00 0.00 C ATOM 582 OG1 THR A 59 -8.671 1.061 -19.032 1.00 0.00 O ATOM 583 CG2 THR A 59 -6.427 0.129 -19.073 1.00 0.00 C ATOM 0 H THR A 59 -7.335 2.666 -17.724 1.00 0.00 H new ATOM 0 HA THR A 59 -5.884 2.536 -20.211 1.00 0.00 H new ATOM 0 HB THR A 59 -7.569 0.772 -20.771 1.00 0.00 H new ATOM 0 HG1 THR A 59 -8.501 1.119 -18.069 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.843 -0.878 -19.070 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.490 0.132 -19.630 1.00 0.00 H new ATOM 0 HG23 THR A 59 -6.241 0.448 -18.048 1.00 0.00 H new ATOM 591 N ASP A 60 -8.786 4.118 -20.000 1.00 0.00 N ATOM 592 CA ASP A 60 -9.746 5.026 -20.685 1.00 0.00 C ATOM 593 C ASP A 60 -9.014 6.162 -21.440 1.00 0.00 C ATOM 594 O ASP A 60 -9.494 6.639 -22.472 1.00 0.00 O ATOM 595 CB ASP A 60 -10.745 5.606 -19.653 1.00 0.00 C ATOM 596 CG ASP A 60 -11.780 6.567 -20.264 1.00 0.00 C ATOM 597 OD1 ASP A 60 -12.695 6.098 -20.974 1.00 0.00 O ATOM 598 OD2 ASP A 60 -11.676 7.796 -20.056 1.00 0.00 O ATOM 0 H ASP A 60 -8.940 4.048 -18.994 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.296 4.447 -21.427 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.269 4.783 -19.167 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.188 6.132 -18.878 1.00 0.00 H new ATOM 603 N GLU A 61 -7.836 6.551 -20.906 1.00 0.00 N ATOM 604 CA GLU A 61 -6.916 7.546 -21.511 1.00 0.00 C ATOM 605 C GLU A 61 -6.553 7.178 -22.968 1.00 0.00 C ATOM 606 O GLU A 61 -6.616 8.023 -23.869 1.00 0.00 O ATOM 607 CB GLU A 61 -5.624 7.633 -20.645 1.00 0.00 C ATOM 608 CG GLU A 61 -5.852 8.093 -19.188 1.00 0.00 C ATOM 609 CD GLU A 61 -6.277 9.566 -19.088 1.00 0.00 C ATOM 610 OE1 GLU A 61 -5.402 10.453 -19.207 1.00 0.00 O ATOM 611 OE2 GLU A 61 -7.477 9.852 -18.888 1.00 0.00 O ATOM 0 H GLU A 61 -7.488 6.176 -20.024 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.420 8.512 -21.535 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.146 6.654 -20.632 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -4.928 8.321 -21.124 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.618 7.467 -18.730 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.935 7.945 -18.617 1.00 0.00 H new ATOM 618 N ARG A 62 -6.193 5.897 -23.184 1.00 0.00 N ATOM 619 CA ARG A 62 -5.766 5.380 -24.510 1.00 0.00 C ATOM 620 C ARG A 62 -6.962 4.830 -25.318 1.00 0.00 C ATOM 621 O ARG A 62 -6.857 4.657 -26.539 1.00 0.00 O ATOM 622 CB ARG A 62 -4.653 4.308 -24.344 1.00 0.00 C ATOM 623 CG ARG A 62 -5.065 3.048 -23.560 1.00 0.00 C ATOM 624 CD ARG A 62 -3.898 2.084 -23.329 1.00 0.00 C ATOM 625 NE ARG A 62 -2.825 2.701 -22.528 1.00 0.00 N ATOM 626 CZ ARG A 62 -1.548 2.298 -22.499 1.00 0.00 C ATOM 627 NH1 ARG A 62 -1.135 1.287 -23.260 1.00 0.00 N ATOM 628 NH2 ARG A 62 -0.687 2.891 -21.692 1.00 0.00 N ATOM 0 H ARG A 62 -6.188 5.189 -22.449 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.353 6.213 -25.079 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.313 4.005 -25.334 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.802 4.767 -23.841 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.481 3.345 -22.597 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.856 2.530 -24.103 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.261 1.190 -22.822 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.495 1.764 -24.290 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.076 3.501 -21.948 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.794 0.809 -23.875 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -0.160 0.990 -23.228 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -0.995 3.656 -21.091 1.00 0.00 H new ATOM 0 HH22 ARG A 62 0.286 2.584 -21.670 1.00 0.00 H new ATOM 642 N VAL A 63 -8.098 4.555 -24.628 1.00 0.00 N ATOM 643 CA VAL A 63 -9.377 4.212 -25.294 1.00 0.00 C ATOM 644 C VAL A 63 -9.912 5.453 -26.043 1.00 0.00 C ATOM 645 O VAL A 63 -10.536 5.333 -27.107 1.00 0.00 O ATOM 646 CB VAL A 63 -10.449 3.654 -24.270 1.00 0.00 C ATOM 647 CG1 VAL A 63 -11.834 3.402 -24.926 1.00 0.00 C ATOM 648 CG2 VAL A 63 -9.938 2.357 -23.588 1.00 0.00 C ATOM 0 H VAL A 63 -8.152 4.565 -23.609 1.00 0.00 H new ATOM 0 HA VAL A 63 -9.189 3.412 -26.010 1.00 0.00 H new ATOM 0 HB VAL A 63 -10.586 4.428 -23.515 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -12.527 3.020 -24.177 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -12.219 4.337 -25.334 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -11.729 2.672 -25.728 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.691 1.992 -22.889 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -9.749 1.597 -24.346 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.015 2.569 -23.049 1.00 0.00 H new ATOM 658 N LYS A 64 -9.621 6.647 -25.480 1.00 0.00 N ATOM 659 CA LYS A 64 -9.937 7.940 -26.107 1.00 0.00 C ATOM 660 C LYS A 64 -9.189 8.090 -27.450 1.00 0.00 C ATOM 661 O LYS A 64 -7.997 8.415 -27.480 1.00 0.00 O ATOM 662 CB LYS A 64 -9.618 9.135 -25.132 1.00 0.00 C ATOM 663 CG LYS A 64 -10.853 9.783 -24.465 1.00 0.00 C ATOM 664 CD LYS A 64 -11.710 8.798 -23.643 1.00 0.00 C ATOM 665 CE LYS A 64 -12.916 9.491 -22.990 1.00 0.00 C ATOM 666 NZ LYS A 64 -13.720 8.548 -22.180 1.00 0.00 N ATOM 0 H LYS A 64 -9.159 6.736 -24.575 1.00 0.00 H new ATOM 0 HA LYS A 64 -11.007 7.967 -26.315 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.948 8.777 -24.350 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.079 9.903 -25.687 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -10.520 10.590 -23.813 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -11.476 10.234 -25.238 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.061 7.994 -24.291 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.094 8.339 -22.870 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.567 10.308 -22.358 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.544 9.933 -23.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -14.633 8.378 -22.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.207 7.648 -22.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.886 8.954 -21.237 1.00 0.00 H new ATOM 680 N GLU A 65 -9.913 7.798 -28.541 1.00 0.00 N ATOM 681 CA GLU A 65 -9.424 7.997 -29.921 1.00 0.00 C ATOM 682 C GLU A 65 -9.461 9.513 -30.286 1.00 0.00 C ATOM 683 O GLU A 65 -10.301 10.242 -29.744 1.00 0.00 O ATOM 684 CB GLU A 65 -10.287 7.140 -30.897 1.00 0.00 C ATOM 685 CG GLU A 65 -11.800 7.446 -30.869 1.00 0.00 C ATOM 686 CD GLU A 65 -12.634 6.502 -31.750 1.00 0.00 C ATOM 687 OE1 GLU A 65 -12.810 6.791 -32.954 1.00 0.00 O ATOM 688 OE2 GLU A 65 -13.118 5.472 -31.243 1.00 0.00 O ATOM 0 H GLU A 65 -10.858 7.416 -28.495 1.00 0.00 H new ATOM 0 HA GLU A 65 -8.388 7.669 -30.006 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -9.920 7.292 -31.912 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.140 6.087 -30.659 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -12.157 7.380 -29.841 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.961 8.473 -31.197 1.00 0.00 H new ATOM 695 N PRO A 66 -8.553 10.036 -31.186 1.00 0.00 N ATOM 696 CA PRO A 66 -7.520 9.247 -31.908 1.00 0.00 C ATOM 697 C PRO A 66 -6.294 8.899 -31.029 1.00 0.00 C ATOM 698 O PRO A 66 -5.779 9.749 -30.289 1.00 0.00 O ATOM 699 CB PRO A 66 -7.135 10.181 -33.090 1.00 0.00 C ATOM 700 CG PRO A 66 -7.321 11.566 -32.546 1.00 0.00 C ATOM 701 CD PRO A 66 -8.483 11.484 -31.563 1.00 0.00 C ATOM 0 HA PRO A 66 -7.891 8.272 -32.223 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -6.106 10.014 -33.409 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -7.771 10.006 -33.958 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -6.415 11.914 -32.050 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -7.538 12.273 -33.347 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -8.310 12.114 -30.690 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -9.414 11.821 -32.019 1.00 0.00 H new ATOM 709 N SER A 67 -5.873 7.624 -31.089 1.00 0.00 N ATOM 710 CA SER A 67 -4.641 7.145 -30.455 1.00 0.00 C ATOM 711 C SER A 67 -3.500 7.226 -31.478 1.00 0.00 C ATOM 712 O SER A 67 -3.665 6.762 -32.619 1.00 0.00 O ATOM 713 CB SER A 67 -4.836 5.698 -29.946 1.00 0.00 C ATOM 714 OG SER A 67 -5.251 4.824 -30.992 1.00 0.00 O ATOM 0 H SER A 67 -6.385 6.894 -31.584 1.00 0.00 H new ATOM 0 HA SER A 67 -4.392 7.766 -29.595 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.903 5.334 -29.516 1.00 0.00 H new ATOM 0 HB3 SER A 67 -5.579 5.690 -29.148 1.00 0.00 H new ATOM 0 HG SER A 67 -4.933 5.169 -31.852 1.00 0.00 H new ATOM 720 N GLN A 68 -2.365 7.828 -31.076 1.00 0.00 N ATOM 721 CA GLN A 68 -1.183 7.964 -31.948 1.00 0.00 C ATOM 722 C GLN A 68 -0.491 6.601 -32.178 1.00 0.00 C ATOM 723 O GLN A 68 -0.794 5.611 -31.495 1.00 0.00 O ATOM 724 CB GLN A 68 -0.203 9.047 -31.384 1.00 0.00 C ATOM 725 CG GLN A 68 0.283 8.888 -29.911 1.00 0.00 C ATOM 726 CD GLN A 68 1.289 7.744 -29.687 1.00 0.00 C ATOM 727 OE1 GLN A 68 0.925 6.639 -29.291 1.00 0.00 O ATOM 728 NE2 GLN A 68 2.552 7.999 -29.978 1.00 0.00 N ATOM 0 H GLN A 68 -2.242 8.230 -30.147 1.00 0.00 H new ATOM 0 HA GLN A 68 -1.515 8.308 -32.927 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.677 9.070 -32.027 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.689 10.018 -31.474 1.00 0.00 H new ATOM 0 HG2 GLN A 68 0.740 9.824 -29.590 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -0.584 8.722 -29.272 1.00 0.00 H new ATOM 0 HE21 GLN A 68 2.823 8.927 -30.305 1.00 0.00 H new ATOM 0 HE22 GLN A 68 3.256 7.268 -29.876 1.00 0.00 H new ATOM 737 N ASP A 69 0.438 6.557 -33.142 1.00 0.00 N ATOM 738 CA ASP A 69 1.199 5.342 -33.457 1.00 0.00 C ATOM 739 C ASP A 69 2.323 5.155 -32.416 1.00 0.00 C ATOM 740 O ASP A 69 3.293 5.927 -32.385 1.00 0.00 O ATOM 741 CB ASP A 69 1.758 5.423 -34.901 1.00 0.00 C ATOM 742 CG ASP A 69 2.487 4.134 -35.329 1.00 0.00 C ATOM 743 OD1 ASP A 69 1.810 3.165 -35.733 1.00 0.00 O ATOM 744 OD2 ASP A 69 3.736 4.077 -35.243 1.00 0.00 O ATOM 0 H ASP A 69 0.682 7.359 -33.723 1.00 0.00 H new ATOM 0 HA ASP A 69 0.545 4.472 -33.409 1.00 0.00 H new ATOM 0 HB2 ASP A 69 0.939 5.619 -35.593 1.00 0.00 H new ATOM 0 HB3 ASP A 69 2.446 6.266 -34.974 1.00 0.00 H new ATOM 749 N THR A 70 2.143 4.164 -31.529 1.00 0.00 N ATOM 750 CA THR A 70 3.132 3.820 -30.503 1.00 0.00 C ATOM 751 C THR A 70 4.397 3.211 -31.160 1.00 0.00 C ATOM 752 O THR A 70 4.361 2.082 -31.674 1.00 0.00 O ATOM 753 CB THR A 70 2.524 2.826 -29.451 1.00 0.00 C ATOM 754 OG1 THR A 70 1.983 1.672 -30.116 1.00 0.00 O ATOM 755 CG2 THR A 70 1.417 3.473 -28.594 1.00 0.00 C ATOM 0 H THR A 70 1.307 3.580 -31.505 1.00 0.00 H new ATOM 0 HA THR A 70 3.416 4.733 -29.980 1.00 0.00 H new ATOM 0 HB THR A 70 3.338 2.538 -28.786 1.00 0.00 H new ATOM 0 HG1 THR A 70 2.511 1.479 -30.919 1.00 0.00 H new ATOM 0 HG21 THR A 70 1.032 2.741 -27.884 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.828 4.324 -28.051 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.607 3.812 -29.241 1.00 0.00 H new ATOM 763 N VAL A 71 5.492 3.995 -31.169 1.00 0.00 N ATOM 764 CA VAL A 71 6.794 3.583 -31.728 1.00 0.00 C ATOM 765 C VAL A 71 7.415 2.412 -30.930 1.00 0.00 C ATOM 766 O VAL A 71 7.129 2.235 -29.740 1.00 0.00 O ATOM 767 CB VAL A 71 7.804 4.795 -31.762 1.00 0.00 C ATOM 768 CG1 VAL A 71 7.306 5.927 -32.693 1.00 0.00 C ATOM 769 CG2 VAL A 71 8.087 5.332 -30.333 1.00 0.00 C ATOM 0 H VAL A 71 5.498 4.940 -30.785 1.00 0.00 H new ATOM 0 HA VAL A 71 6.608 3.244 -32.747 1.00 0.00 H new ATOM 0 HB VAL A 71 8.743 4.423 -32.172 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.028 6.744 -32.691 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.197 5.542 -33.707 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.343 6.293 -32.338 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.786 6.166 -30.390 1.00 0.00 H new ATOM 0 HG22 VAL A 71 7.155 5.670 -29.880 1.00 0.00 H new ATOM 0 HG23 VAL A 71 8.519 4.537 -29.725 1.00 0.00 H new ATOM 779 N ALA A 72 8.244 1.611 -31.617 1.00 0.00 N ATOM 780 CA ALA A 72 9.016 0.514 -31.007 1.00 0.00 C ATOM 781 C ALA A 72 10.505 0.913 -30.957 1.00 0.00 C ATOM 782 O ALA A 72 11.189 0.904 -31.992 1.00 0.00 O ATOM 783 CB ALA A 72 8.797 -0.798 -31.792 1.00 0.00 C ATOM 0 H ALA A 72 8.400 1.706 -32.621 1.00 0.00 H new ATOM 0 HA ALA A 72 8.673 0.338 -29.988 1.00 0.00 H new ATOM 0 HB1 ALA A 72 9.374 -1.599 -31.330 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.739 -1.058 -31.778 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.124 -0.664 -32.823 1.00 0.00 H new ATOM 789 N THR A 73 10.988 1.308 -29.762 1.00 0.00 N ATOM 790 CA THR A 73 12.367 1.801 -29.569 1.00 0.00 C ATOM 791 C THR A 73 13.317 0.646 -29.150 1.00 0.00 C ATOM 792 O THR A 73 12.913 -0.289 -28.444 1.00 0.00 O ATOM 793 CB THR A 73 12.408 2.972 -28.524 1.00 0.00 C ATOM 794 OG1 THR A 73 13.675 3.644 -28.586 1.00 0.00 O ATOM 795 CG2 THR A 73 12.165 2.507 -27.077 1.00 0.00 C ATOM 0 H THR A 73 10.435 1.294 -28.905 1.00 0.00 H new ATOM 0 HA THR A 73 12.718 2.194 -30.523 1.00 0.00 H new ATOM 0 HB THR A 73 11.595 3.647 -28.793 1.00 0.00 H new ATOM 0 HG1 THR A 73 13.691 4.374 -27.932 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.207 3.366 -26.407 1.00 0.00 H new ATOM 0 HG22 THR A 73 11.184 2.038 -27.005 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.932 1.787 -26.792 1.00 0.00 H new ATOM 803 N GLU A 74 14.574 0.721 -29.605 1.00 0.00 N ATOM 804 CA GLU A 74 15.617 -0.291 -29.335 1.00 0.00 C ATOM 805 C GLU A 74 16.763 0.345 -28.521 1.00 0.00 C ATOM 806 O GLU A 74 17.193 1.464 -28.836 1.00 0.00 O ATOM 807 CB GLU A 74 16.156 -0.939 -30.657 1.00 0.00 C ATOM 808 CG GLU A 74 16.702 0.024 -31.746 1.00 0.00 C ATOM 809 CD GLU A 74 15.612 0.859 -32.454 1.00 0.00 C ATOM 810 OE1 GLU A 74 14.921 0.320 -33.346 1.00 0.00 O ATOM 811 OE2 GLU A 74 15.437 2.052 -32.117 1.00 0.00 O ATOM 0 H GLU A 74 14.905 1.496 -30.180 1.00 0.00 H new ATOM 0 HA GLU A 74 15.169 -1.094 -28.750 1.00 0.00 H new ATOM 0 HB2 GLU A 74 16.951 -1.636 -30.392 1.00 0.00 H new ATOM 0 HB3 GLU A 74 15.351 -1.527 -31.098 1.00 0.00 H new ATOM 0 HG2 GLU A 74 17.423 0.701 -31.288 1.00 0.00 H new ATOM 0 HG3 GLU A 74 17.241 -0.558 -32.493 1.00 0.00 H new ATOM 818 N PRO A 75 17.268 -0.345 -27.442 1.00 0.00 N ATOM 819 CA PRO A 75 18.350 0.191 -26.576 1.00 0.00 C ATOM 820 C PRO A 75 19.748 0.114 -27.239 1.00 0.00 C ATOM 821 O PRO A 75 19.906 -0.451 -28.329 1.00 0.00 O ATOM 822 CB PRO A 75 18.253 -0.705 -25.317 1.00 0.00 C ATOM 823 CG PRO A 75 17.759 -2.027 -25.834 1.00 0.00 C ATOM 824 CD PRO A 75 16.819 -1.696 -26.978 1.00 0.00 C ATOM 0 HA PRO A 75 18.230 1.253 -26.364 1.00 0.00 H new ATOM 0 HB2 PRO A 75 19.221 -0.807 -24.827 1.00 0.00 H new ATOM 0 HB3 PRO A 75 17.566 -0.284 -24.582 1.00 0.00 H new ATOM 0 HG2 PRO A 75 18.587 -2.648 -26.175 1.00 0.00 H new ATOM 0 HG3 PRO A 75 17.243 -2.585 -25.052 1.00 0.00 H new ATOM 0 HD2 PRO A 75 16.888 -2.435 -27.777 1.00 0.00 H new ATOM 0 HD3 PRO A 75 15.780 -1.679 -26.648 1.00 0.00 H new ATOM 832 N SER A 76 20.755 0.678 -26.548 1.00 0.00 N ATOM 833 CA SER A 76 22.138 0.799 -27.046 1.00 0.00 C ATOM 834 C SER A 76 22.808 -0.586 -27.229 1.00 0.00 C ATOM 835 O SER A 76 23.064 -1.304 -26.250 1.00 0.00 O ATOM 836 CB SER A 76 22.945 1.703 -26.082 1.00 0.00 C ATOM 837 OG SER A 76 22.847 1.256 -24.735 1.00 0.00 O ATOM 0 H SER A 76 20.629 1.068 -25.614 1.00 0.00 H new ATOM 0 HA SER A 76 22.119 1.259 -28.034 1.00 0.00 H new ATOM 0 HB2 SER A 76 23.992 1.716 -26.386 1.00 0.00 H new ATOM 0 HB3 SER A 76 22.580 2.728 -26.153 1.00 0.00 H new ATOM 0 HG SER A 76 22.878 0.277 -24.712 1.00 0.00 H new ATOM 843 N GLU A 77 23.050 -0.956 -28.503 1.00 0.00 N ATOM 844 CA GLU A 77 23.593 -2.274 -28.890 1.00 0.00 C ATOM 845 C GLU A 77 25.121 -2.315 -28.746 1.00 0.00 C ATOM 846 O GLU A 77 25.688 -3.334 -28.330 1.00 0.00 O ATOM 847 CB GLU A 77 23.186 -2.607 -30.346 1.00 0.00 C ATOM 848 CG GLU A 77 21.665 -2.689 -30.575 1.00 0.00 C ATOM 849 CD GLU A 77 21.284 -2.981 -32.034 1.00 0.00 C ATOM 850 OE1 GLU A 77 21.150 -2.027 -32.829 1.00 0.00 O ATOM 851 OE2 GLU A 77 21.107 -4.165 -32.393 1.00 0.00 O ATOM 0 H GLU A 77 22.873 -0.343 -29.299 1.00 0.00 H new ATOM 0 HA GLU A 77 23.174 -3.022 -28.217 1.00 0.00 H new ATOM 0 HB2 GLU A 77 23.601 -1.849 -31.010 1.00 0.00 H new ATOM 0 HB3 GLU A 77 23.636 -3.559 -30.628 1.00 0.00 H new ATOM 0 HG2 GLU A 77 21.250 -3.468 -29.936 1.00 0.00 H new ATOM 0 HG3 GLU A 77 21.207 -1.748 -30.269 1.00 0.00 H new ATOM 858 N VAL A 78 25.778 -1.195 -29.108 1.00 0.00 N ATOM 859 CA VAL A 78 27.247 -1.082 -29.090 1.00 0.00 C ATOM 860 C VAL A 78 27.742 -0.914 -27.635 1.00 0.00 C ATOM 861 O VAL A 78 27.732 0.195 -27.089 1.00 0.00 O ATOM 862 CB VAL A 78 27.743 0.112 -30.006 1.00 0.00 C ATOM 863 CG1 VAL A 78 29.290 0.223 -30.033 1.00 0.00 C ATOM 864 CG2 VAL A 78 27.162 -0.020 -31.435 1.00 0.00 C ATOM 0 H VAL A 78 25.305 -0.347 -29.420 1.00 0.00 H new ATOM 0 HA VAL A 78 27.672 -1.999 -29.499 1.00 0.00 H new ATOM 0 HB VAL A 78 27.370 1.038 -29.569 1.00 0.00 H new ATOM 0 HG11 VAL A 78 29.584 1.055 -30.673 1.00 0.00 H new ATOM 0 HG12 VAL A 78 29.660 0.395 -29.022 1.00 0.00 H new ATOM 0 HG13 VAL A 78 29.714 -0.702 -30.423 1.00 0.00 H new ATOM 0 HG21 VAL A 78 27.514 0.809 -32.049 1.00 0.00 H new ATOM 0 HG22 VAL A 78 27.489 -0.962 -31.875 1.00 0.00 H new ATOM 0 HG23 VAL A 78 26.073 -0.000 -31.388 1.00 0.00 H new ATOM 874 N GLU A 79 28.112 -2.044 -27.004 1.00 0.00 N ATOM 875 CA GLU A 79 28.647 -2.071 -25.629 1.00 0.00 C ATOM 876 C GLU A 79 30.143 -1.669 -25.606 1.00 0.00 C ATOM 877 O GLU A 79 30.729 -1.357 -26.649 1.00 0.00 O ATOM 878 CB GLU A 79 28.388 -3.471 -24.970 1.00 0.00 C ATOM 879 CG GLU A 79 28.724 -4.721 -25.833 1.00 0.00 C ATOM 880 CD GLU A 79 30.212 -4.868 -26.208 1.00 0.00 C ATOM 881 OE1 GLU A 79 31.032 -5.092 -25.304 1.00 0.00 O ATOM 882 OE2 GLU A 79 30.562 -4.756 -27.407 1.00 0.00 O ATOM 0 H GLU A 79 28.048 -2.967 -27.434 1.00 0.00 H new ATOM 0 HA GLU A 79 28.119 -1.330 -25.030 1.00 0.00 H new ATOM 0 HB2 GLU A 79 28.969 -3.527 -24.049 1.00 0.00 H new ATOM 0 HB3 GLU A 79 27.337 -3.525 -24.687 1.00 0.00 H new ATOM 0 HG2 GLU A 79 28.411 -5.614 -25.292 1.00 0.00 H new ATOM 0 HG3 GLU A 79 28.135 -4.681 -26.749 1.00 0.00 H new ATOM 889 N GLY A 80 30.741 -1.679 -24.409 1.00 0.00 N ATOM 890 CA GLY A 80 32.148 -1.326 -24.222 1.00 0.00 C ATOM 891 C GLY A 80 32.780 -2.179 -23.138 1.00 0.00 C ATOM 892 O GLY A 80 33.379 -1.659 -22.191 1.00 0.00 O ATOM 0 H GLY A 80 30.261 -1.932 -23.545 1.00 0.00 H new ATOM 0 HA2 GLY A 80 32.689 -1.461 -25.159 1.00 0.00 H new ATOM 0 HA3 GLY A 80 32.231 -0.272 -23.956 1.00 0.00 H new ATOM 896 N SER A 81 32.619 -3.505 -23.271 1.00 0.00 N ATOM 897 CA SER A 81 33.149 -4.504 -22.327 1.00 0.00 C ATOM 898 C SER A 81 34.434 -5.129 -22.903 1.00 0.00 C ATOM 899 O SER A 81 34.416 -5.673 -24.013 1.00 0.00 O ATOM 900 CB SER A 81 32.071 -5.587 -22.071 1.00 0.00 C ATOM 901 OG SER A 81 32.518 -6.569 -21.157 1.00 0.00 O ATOM 0 H SER A 81 32.109 -3.921 -24.050 1.00 0.00 H new ATOM 0 HA SER A 81 33.396 -4.028 -21.378 1.00 0.00 H new ATOM 0 HB2 SER A 81 31.167 -5.116 -21.685 1.00 0.00 H new ATOM 0 HB3 SER A 81 31.804 -6.064 -23.014 1.00 0.00 H new ATOM 0 HG SER A 81 31.811 -7.234 -21.019 1.00 0.00 H new ATOM 907 N ALA A 82 35.542 -5.028 -22.154 1.00 0.00 N ATOM 908 CA ALA A 82 36.841 -5.611 -22.538 1.00 0.00 C ATOM 909 C ALA A 82 37.602 -6.018 -21.264 1.00 0.00 C ATOM 910 O ALA A 82 38.462 -5.278 -20.769 1.00 0.00 O ATOM 911 CB ALA A 82 37.656 -4.627 -23.412 1.00 0.00 C ATOM 0 H ALA A 82 35.565 -4.538 -21.260 1.00 0.00 H new ATOM 0 HA ALA A 82 36.678 -6.501 -23.146 1.00 0.00 H new ATOM 0 HB1 ALA A 82 38.609 -5.083 -23.681 1.00 0.00 H new ATOM 0 HB2 ALA A 82 37.096 -4.396 -24.318 1.00 0.00 H new ATOM 0 HB3 ALA A 82 37.837 -3.709 -22.853 1.00 0.00 H new ATOM 917 N ALA A 83 37.209 -7.170 -20.692 1.00 0.00 N ATOM 918 CA ALA A 83 37.797 -7.718 -19.463 1.00 0.00 C ATOM 919 C ALA A 83 38.553 -9.018 -19.775 1.00 0.00 C ATOM 920 O ALA A 83 37.932 -10.076 -19.935 1.00 0.00 O ATOM 921 CB ALA A 83 36.703 -7.958 -18.407 1.00 0.00 C ATOM 0 H ALA A 83 36.465 -7.751 -21.077 1.00 0.00 H new ATOM 0 HA ALA A 83 38.506 -6.997 -19.057 1.00 0.00 H new ATOM 0 HB1 ALA A 83 37.154 -8.364 -17.502 1.00 0.00 H new ATOM 0 HB2 ALA A 83 36.209 -7.015 -18.174 1.00 0.00 H new ATOM 0 HB3 ALA A 83 35.970 -8.665 -18.796 1.00 0.00 H new ATOM 927 N ASN A 84 39.886 -8.902 -19.909 1.00 0.00 N ATOM 928 CA ASN A 84 40.796 -10.043 -20.099 1.00 0.00 C ATOM 929 C ASN A 84 42.228 -9.597 -19.752 1.00 0.00 C ATOM 930 O ASN A 84 42.889 -8.924 -20.549 1.00 0.00 O ATOM 931 CB ASN A 84 40.724 -10.594 -21.555 1.00 0.00 C ATOM 932 CG ASN A 84 41.530 -11.886 -21.770 1.00 0.00 C ATOM 933 OD1 ASN A 84 41.683 -12.702 -20.855 1.00 0.00 O ATOM 934 ND2 ASN A 84 42.043 -12.086 -22.978 1.00 0.00 N ATOM 0 H ASN A 84 40.366 -8.002 -19.888 1.00 0.00 H new ATOM 0 HA ASN A 84 40.493 -10.855 -19.438 1.00 0.00 H new ATOM 0 HB2 ASN A 84 39.681 -10.780 -21.812 1.00 0.00 H new ATOM 0 HB3 ASN A 84 41.090 -9.830 -22.241 1.00 0.00 H new ATOM 0 HD21 ASN A 84 42.580 -12.932 -23.170 1.00 0.00 H new ATOM 0 HD22 ASN A 84 41.900 -11.394 -23.714 1.00 0.00 H new ATOM 941 N LYS A 85 42.673 -9.935 -18.535 1.00 0.00 N ATOM 942 CA LYS A 85 44.010 -9.578 -18.032 1.00 0.00 C ATOM 943 C LYS A 85 44.637 -10.804 -17.345 1.00 0.00 C ATOM 944 O LYS A 85 44.192 -11.218 -16.265 1.00 0.00 O ATOM 945 CB LYS A 85 43.914 -8.371 -17.052 1.00 0.00 C ATOM 946 CG LYS A 85 45.271 -7.927 -16.443 1.00 0.00 C ATOM 947 CD LYS A 85 45.148 -6.730 -15.466 1.00 0.00 C ATOM 948 CE LYS A 85 46.488 -6.379 -14.787 1.00 0.00 C ATOM 949 NZ LYS A 85 46.357 -5.223 -13.863 1.00 0.00 N ATOM 0 H LYS A 85 42.115 -10.466 -17.867 1.00 0.00 H new ATOM 0 HA LYS A 85 44.647 -9.278 -18.864 1.00 0.00 H new ATOM 0 HB2 LYS A 85 43.473 -7.525 -17.579 1.00 0.00 H new ATOM 0 HB3 LYS A 85 43.234 -8.631 -16.241 1.00 0.00 H new ATOM 0 HG2 LYS A 85 45.718 -8.771 -15.917 1.00 0.00 H new ATOM 0 HG3 LYS A 85 45.952 -7.658 -17.250 1.00 0.00 H new ATOM 0 HD2 LYS A 85 44.781 -5.859 -16.009 1.00 0.00 H new ATOM 0 HD3 LYS A 85 44.408 -6.965 -14.701 1.00 0.00 H new ATOM 0 HE2 LYS A 85 46.853 -7.245 -14.235 1.00 0.00 H new ATOM 0 HE3 LYS A 85 47.232 -6.151 -15.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 47.280 -5.020 -13.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 46.034 -4.389 -14.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 45.666 -5.449 -13.120 1.00 0.00 H new ATOM 963 N GLU A 86 45.642 -11.394 -18.006 1.00 0.00 N ATOM 964 CA GLU A 86 46.373 -12.567 -17.503 1.00 0.00 C ATOM 965 C GLU A 86 47.865 -12.424 -17.834 1.00 0.00 C ATOM 966 O GLU A 86 48.234 -12.266 -19.004 1.00 0.00 O ATOM 967 CB GLU A 86 45.805 -13.874 -18.124 1.00 0.00 C ATOM 968 CG GLU A 86 46.526 -15.180 -17.703 1.00 0.00 C ATOM 969 CD GLU A 86 46.495 -15.434 -16.183 1.00 0.00 C ATOM 970 OE1 GLU A 86 45.535 -16.062 -15.688 1.00 0.00 O ATOM 971 OE2 GLU A 86 47.426 -15.001 -15.477 1.00 0.00 O ATOM 0 H GLU A 86 45.974 -11.068 -18.914 1.00 0.00 H new ATOM 0 HA GLU A 86 46.249 -12.623 -16.422 1.00 0.00 H new ATOM 0 HB2 GLU A 86 44.752 -13.957 -17.853 1.00 0.00 H new ATOM 0 HB3 GLU A 86 45.849 -13.789 -19.210 1.00 0.00 H new ATOM 0 HG2 GLU A 86 46.062 -16.023 -18.214 1.00 0.00 H new ATOM 0 HG3 GLU A 86 47.563 -15.137 -18.036 1.00 0.00 H new ATOM 978 N VAL A 87 48.709 -12.461 -16.787 1.00 0.00 N ATOM 979 CA VAL A 87 50.174 -12.457 -16.928 1.00 0.00 C ATOM 980 C VAL A 87 50.705 -13.877 -16.647 1.00 0.00 C ATOM 981 O VAL A 87 50.546 -14.407 -15.541 1.00 0.00 O ATOM 982 CB VAL A 87 50.865 -11.422 -15.957 1.00 0.00 C ATOM 983 CG1 VAL A 87 52.408 -11.481 -16.077 1.00 0.00 C ATOM 984 CG2 VAL A 87 50.352 -9.983 -16.210 1.00 0.00 C ATOM 0 H VAL A 87 48.392 -12.495 -15.818 1.00 0.00 H new ATOM 0 HA VAL A 87 50.417 -12.152 -17.946 1.00 0.00 H new ATOM 0 HB VAL A 87 50.595 -11.702 -14.939 1.00 0.00 H new ATOM 0 HG11 VAL A 87 52.854 -10.756 -15.396 1.00 0.00 H new ATOM 0 HG12 VAL A 87 52.755 -12.482 -15.820 1.00 0.00 H new ATOM 0 HG13 VAL A 87 52.703 -11.246 -17.100 1.00 0.00 H new ATOM 0 HG21 VAL A 87 50.847 -9.295 -15.525 1.00 0.00 H new ATOM 0 HG22 VAL A 87 50.572 -9.694 -17.238 1.00 0.00 H new ATOM 0 HG23 VAL A 87 49.275 -9.946 -16.045 1.00 0.00 H new ATOM 994 N LEU A 88 51.333 -14.475 -17.667 1.00 0.00 N ATOM 995 CA LEU A 88 51.935 -15.813 -17.592 1.00 0.00 C ATOM 996 C LEU A 88 53.465 -15.672 -17.591 1.00 0.00 C ATOM 997 O LEU A 88 54.175 -16.132 -18.492 1.00 0.00 O ATOM 998 CB LEU A 88 51.393 -16.755 -18.732 1.00 0.00 C ATOM 999 CG LEU A 88 51.468 -16.262 -20.236 1.00 0.00 C ATOM 1000 CD1 LEU A 88 51.298 -17.449 -21.222 1.00 0.00 C ATOM 1001 CD2 LEU A 88 50.420 -15.154 -20.554 1.00 0.00 C ATOM 0 H LEU A 88 51.439 -14.037 -18.582 1.00 0.00 H new ATOM 0 HA LEU A 88 51.644 -16.299 -16.661 1.00 0.00 H new ATOM 0 HB2 LEU A 88 51.937 -17.697 -18.667 1.00 0.00 H new ATOM 0 HB3 LEU A 88 50.349 -16.974 -18.509 1.00 0.00 H new ATOM 0 HG LEU A 88 52.459 -15.827 -20.367 1.00 0.00 H new ATOM 0 HD11 LEU A 88 51.354 -17.082 -22.247 1.00 0.00 H new ATOM 0 HD12 LEU A 88 52.091 -18.178 -21.054 1.00 0.00 H new ATOM 0 HD13 LEU A 88 50.330 -17.922 -21.058 1.00 0.00 H new ATOM 0 HD21 LEU A 88 50.515 -14.852 -21.597 1.00 0.00 H new ATOM 0 HD22 LEU A 88 49.416 -15.541 -20.378 1.00 0.00 H new ATOM 0 HD23 LEU A 88 50.595 -14.292 -19.910 1.00 0.00 H new ATOM 1013 N ALA A 89 53.954 -14.987 -16.546 1.00 0.00 N ATOM 1014 CA ALA A 89 55.386 -14.756 -16.304 1.00 0.00 C ATOM 1015 C ALA A 89 55.736 -15.244 -14.898 1.00 0.00 C ATOM 1016 O ALA A 89 54.895 -15.168 -13.991 1.00 0.00 O ATOM 1017 CB ALA A 89 55.725 -13.266 -16.457 1.00 0.00 C ATOM 0 H ALA A 89 53.355 -14.571 -15.833 1.00 0.00 H new ATOM 0 HA ALA A 89 55.973 -15.309 -17.038 1.00 0.00 H new ATOM 0 HB1 ALA A 89 56.789 -13.114 -16.274 1.00 0.00 H new ATOM 0 HB2 ALA A 89 55.480 -12.939 -17.468 1.00 0.00 H new ATOM 0 HB3 ALA A 89 55.147 -12.686 -15.738 1.00 0.00 H new ATOM 1023 N LYS A 90 56.977 -15.729 -14.719 1.00 0.00 N ATOM 1024 CA LYS A 90 57.423 -16.334 -13.449 1.00 0.00 C ATOM 1025 C LYS A 90 58.963 -16.335 -13.367 1.00 0.00 C ATOM 1026 O LYS A 90 59.655 -16.214 -14.381 1.00 0.00 O ATOM 1027 CB LYS A 90 56.868 -17.803 -13.300 1.00 0.00 C ATOM 1028 CG LYS A 90 57.627 -18.930 -14.093 1.00 0.00 C ATOM 1029 CD LYS A 90 57.625 -18.757 -15.641 1.00 0.00 C ATOM 1030 CE LYS A 90 56.225 -18.820 -16.263 1.00 0.00 C ATOM 1031 NZ LYS A 90 55.595 -20.143 -16.087 1.00 0.00 N ATOM 0 H LYS A 90 57.695 -15.714 -15.443 1.00 0.00 H new ATOM 0 HA LYS A 90 57.027 -15.734 -12.630 1.00 0.00 H new ATOM 0 HB2 LYS A 90 56.879 -18.065 -12.242 1.00 0.00 H new ATOM 0 HB3 LYS A 90 55.825 -17.807 -13.618 1.00 0.00 H new ATOM 0 HG2 LYS A 90 58.660 -18.965 -13.747 1.00 0.00 H new ATOM 0 HG3 LYS A 90 57.177 -19.892 -13.849 1.00 0.00 H new ATOM 0 HD2 LYS A 90 58.082 -17.800 -15.892 1.00 0.00 H new ATOM 0 HD3 LYS A 90 58.247 -19.534 -16.086 1.00 0.00 H new ATOM 0 HE2 LYS A 90 55.593 -18.056 -15.810 1.00 0.00 H new ATOM 0 HE3 LYS A 90 56.291 -18.590 -17.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 54.688 -20.166 -16.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 56.223 -20.880 -16.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 55.429 -20.317 -15.075 1.00 0.00 H new ATOM 1045 N VAL A 91 59.478 -16.458 -12.139 1.00 0.00 N ATOM 1046 CA VAL A 91 60.912 -16.720 -11.870 1.00 0.00 C ATOM 1047 C VAL A 91 61.007 -18.043 -11.061 1.00 0.00 C ATOM 1048 O VAL A 91 61.858 -18.218 -10.177 1.00 0.00 O ATOM 1049 CB VAL A 91 61.602 -15.503 -11.108 1.00 0.00 C ATOM 1050 CG1 VAL A 91 63.150 -15.607 -11.142 1.00 0.00 C ATOM 1051 CG2 VAL A 91 61.131 -14.130 -11.664 1.00 0.00 C ATOM 0 H VAL A 91 58.915 -16.379 -11.292 1.00 0.00 H new ATOM 0 HA VAL A 91 61.456 -16.822 -12.809 1.00 0.00 H new ATOM 0 HB VAL A 91 61.285 -15.567 -10.067 1.00 0.00 H new ATOM 0 HG11 VAL A 91 63.583 -14.759 -10.612 1.00 0.00 H new ATOM 0 HG12 VAL A 91 63.463 -16.534 -10.661 1.00 0.00 H new ATOM 0 HG13 VAL A 91 63.492 -15.601 -12.177 1.00 0.00 H new ATOM 0 HG21 VAL A 91 61.625 -13.327 -11.117 1.00 0.00 H new ATOM 0 HG22 VAL A 91 61.386 -14.059 -12.721 1.00 0.00 H new ATOM 0 HG23 VAL A 91 60.051 -14.040 -11.544 1.00 0.00 H new ATOM 1061 N ILE A 92 60.114 -18.992 -11.413 1.00 0.00 N ATOM 1062 CA ILE A 92 60.020 -20.324 -10.772 1.00 0.00 C ATOM 1063 C ILE A 92 61.062 -21.251 -11.433 1.00 0.00 C ATOM 1064 O ILE A 92 60.743 -22.133 -12.249 1.00 0.00 O ATOM 1065 CB ILE A 92 58.556 -20.921 -10.862 1.00 0.00 C ATOM 1066 CG1 ILE A 92 57.499 -19.925 -10.273 1.00 0.00 C ATOM 1067 CG2 ILE A 92 58.452 -22.297 -10.148 1.00 0.00 C ATOM 1068 CD1 ILE A 92 57.640 -19.619 -8.784 1.00 0.00 C ATOM 0 H ILE A 92 59.430 -18.855 -12.158 1.00 0.00 H new ATOM 0 HA ILE A 92 60.236 -20.233 -9.707 1.00 0.00 H new ATOM 0 HB ILE A 92 58.339 -21.071 -11.920 1.00 0.00 H new ATOM 0 HG12 ILE A 92 57.562 -18.988 -10.826 1.00 0.00 H new ATOM 0 HG13 ILE A 92 56.504 -20.333 -10.449 1.00 0.00 H new ATOM 0 HG21 ILE A 92 57.433 -22.674 -10.231 1.00 0.00 H new ATOM 0 HG22 ILE A 92 59.139 -23.002 -10.615 1.00 0.00 H new ATOM 0 HG23 ILE A 92 58.711 -22.181 -9.096 1.00 0.00 H new ATOM 0 HD11 ILE A 92 56.860 -18.921 -8.481 1.00 0.00 H new ATOM 0 HD12 ILE A 92 57.543 -20.542 -8.212 1.00 0.00 H new ATOM 0 HD13 ILE A 92 58.618 -19.176 -8.595 1.00 0.00 H new ATOM 1080 N ASP A 93 62.326 -20.947 -11.134 1.00 0.00 N ATOM 1081 CA ASP A 93 63.492 -21.703 -11.601 1.00 0.00 C ATOM 1082 C ASP A 93 64.696 -21.343 -10.718 1.00 0.00 C ATOM 1083 O ASP A 93 65.261 -20.249 -10.830 1.00 0.00 O ATOM 1084 CB ASP A 93 63.796 -21.420 -13.104 1.00 0.00 C ATOM 1085 CG ASP A 93 65.007 -22.209 -13.649 1.00 0.00 C ATOM 1086 OD1 ASP A 93 64.946 -23.461 -13.679 1.00 0.00 O ATOM 1087 OD2 ASP A 93 66.016 -21.591 -14.058 1.00 0.00 O ATOM 0 H ASP A 93 62.574 -20.151 -10.547 1.00 0.00 H new ATOM 0 HA ASP A 93 63.282 -22.770 -11.520 1.00 0.00 H new ATOM 0 HB2 ASP A 93 62.915 -21.667 -13.697 1.00 0.00 H new ATOM 0 HB3 ASP A 93 63.979 -20.353 -13.234 1.00 0.00 H new ATOM 1092 N LEU A 94 65.052 -22.260 -9.811 1.00 0.00 N ATOM 1093 CA LEU A 94 66.194 -22.099 -8.896 1.00 0.00 C ATOM 1094 C LEU A 94 67.083 -23.352 -9.042 1.00 0.00 C ATOM 1095 O LEU A 94 67.451 -24.004 -8.052 1.00 0.00 O ATOM 1096 CB LEU A 94 65.687 -21.877 -7.426 1.00 0.00 C ATOM 1097 CG LEU A 94 66.410 -20.769 -6.569 1.00 0.00 C ATOM 1098 CD1 LEU A 94 67.905 -21.094 -6.314 1.00 0.00 C ATOM 1099 CD2 LEU A 94 66.239 -19.367 -7.212 1.00 0.00 C ATOM 0 H LEU A 94 64.554 -23.142 -9.688 1.00 0.00 H new ATOM 0 HA LEU A 94 66.785 -21.217 -9.144 1.00 0.00 H new ATOM 0 HB2 LEU A 94 64.626 -21.631 -7.469 1.00 0.00 H new ATOM 0 HB3 LEU A 94 65.773 -22.824 -6.893 1.00 0.00 H new ATOM 0 HG LEU A 94 65.924 -20.758 -5.593 1.00 0.00 H new ATOM 0 HD11 LEU A 94 68.354 -20.298 -5.719 1.00 0.00 H new ATOM 0 HD12 LEU A 94 67.985 -22.039 -5.776 1.00 0.00 H new ATOM 0 HD13 LEU A 94 68.428 -21.174 -7.267 1.00 0.00 H new ATOM 0 HD21 LEU A 94 66.747 -18.622 -6.600 1.00 0.00 H new ATOM 0 HD22 LEU A 94 66.671 -19.371 -8.213 1.00 0.00 H new ATOM 0 HD23 LEU A 94 65.179 -19.122 -7.275 1.00 0.00 H new ATOM 1111 N THR A 95 67.393 -23.691 -10.314 1.00 0.00 N ATOM 1112 CA THR A 95 68.298 -24.798 -10.648 1.00 0.00 C ATOM 1113 C THR A 95 69.748 -24.422 -10.300 1.00 0.00 C ATOM 1114 O THR A 95 70.253 -23.367 -10.716 1.00 0.00 O ATOM 1115 CB THR A 95 68.167 -25.221 -12.159 1.00 0.00 C ATOM 1116 OG1 THR A 95 69.095 -26.270 -12.478 1.00 0.00 O ATOM 1117 CG2 THR A 95 68.377 -24.045 -13.135 1.00 0.00 C ATOM 0 H THR A 95 67.021 -23.203 -11.129 1.00 0.00 H new ATOM 0 HA THR A 95 68.010 -25.662 -10.049 1.00 0.00 H new ATOM 0 HB THR A 95 67.144 -25.576 -12.283 1.00 0.00 H new ATOM 0 HG1 THR A 95 68.996 -26.519 -13.421 1.00 0.00 H new ATOM 0 HG21 THR A 95 68.274 -24.400 -14.160 1.00 0.00 H new ATOM 0 HG22 THR A 95 67.631 -23.274 -12.942 1.00 0.00 H new ATOM 0 HG23 THR A 95 69.374 -23.628 -12.994 1.00 0.00 H new ATOM 1125 N HIS A 96 70.382 -25.271 -9.480 1.00 0.00 N ATOM 1126 CA HIS A 96 71.795 -25.133 -9.093 1.00 0.00 C ATOM 1127 C HIS A 96 72.277 -26.452 -8.472 1.00 0.00 C ATOM 1128 O HIS A 96 71.522 -27.129 -7.761 1.00 0.00 O ATOM 1129 CB HIS A 96 72.030 -23.949 -8.107 1.00 0.00 C ATOM 1130 CG HIS A 96 71.397 -24.112 -6.746 1.00 0.00 C ATOM 1131 ND1 HIS A 96 72.097 -24.530 -5.632 1.00 0.00 N ATOM 1132 CD2 HIS A 96 70.134 -23.892 -6.319 1.00 0.00 C ATOM 1133 CE1 HIS A 96 71.289 -24.565 -4.594 1.00 0.00 C ATOM 1134 NE2 HIS A 96 70.093 -24.182 -4.984 1.00 0.00 N ATOM 0 H HIS A 96 69.925 -26.081 -9.062 1.00 0.00 H new ATOM 0 HA HIS A 96 72.370 -24.909 -9.991 1.00 0.00 H new ATOM 0 HB2 HIS A 96 73.104 -23.813 -7.977 1.00 0.00 H new ATOM 0 HB3 HIS A 96 71.646 -23.036 -8.562 1.00 0.00 H new ATOM 0 HD2 HIS A 96 69.307 -23.549 -6.923 1.00 0.00 H new ATOM 0 HE1 HIS A 96 71.562 -24.859 -3.591 1.00 0.00 H new ATOM 0 HE2 HIS A 96 69.269 -24.113 -4.387 1.00 0.00 H new ATOM 1143 N ASP A 97 73.536 -26.802 -8.733 1.00 0.00 N ATOM 1144 CA ASP A 97 74.158 -28.038 -8.218 1.00 0.00 C ATOM 1145 C ASP A 97 75.608 -27.751 -7.807 1.00 0.00 C ATOM 1146 O ASP A 97 76.265 -26.883 -8.399 1.00 0.00 O ATOM 1147 CB ASP A 97 74.102 -29.156 -9.293 1.00 0.00 C ATOM 1148 CG ASP A 97 74.520 -30.538 -8.748 1.00 0.00 C ATOM 1149 OD1 ASP A 97 73.661 -31.228 -8.163 1.00 0.00 O ATOM 1150 OD2 ASP A 97 75.702 -30.935 -8.893 1.00 0.00 O ATOM 0 H ASP A 97 74.162 -26.239 -9.309 1.00 0.00 H new ATOM 0 HA ASP A 97 73.606 -28.382 -7.343 1.00 0.00 H new ATOM 0 HB2 ASP A 97 73.089 -29.220 -9.691 1.00 0.00 H new ATOM 0 HB3 ASP A 97 74.754 -28.887 -10.124 1.00 0.00 H new ATOM 1155 N ASN A 98 76.095 -28.477 -6.792 1.00 0.00 N ATOM 1156 CA ASN A 98 77.466 -28.325 -6.274 1.00 0.00 C ATOM 1157 C ASN A 98 78.273 -29.594 -6.606 1.00 0.00 C ATOM 1158 O ASN A 98 77.839 -30.708 -6.273 1.00 0.00 O ATOM 1159 CB ASN A 98 77.433 -28.084 -4.742 1.00 0.00 C ATOM 1160 CG ASN A 98 78.792 -27.707 -4.137 1.00 0.00 C ATOM 1161 OD1 ASN A 98 79.623 -27.066 -4.777 1.00 0.00 O ATOM 1162 ND2 ASN A 98 79.023 -28.093 -2.892 1.00 0.00 N ATOM 0 H ASN A 98 75.550 -29.188 -6.304 1.00 0.00 H new ATOM 0 HA ASN A 98 77.943 -27.464 -6.743 1.00 0.00 H new ATOM 0 HB2 ASN A 98 76.718 -27.290 -4.525 1.00 0.00 H new ATOM 0 HB3 ASN A 98 77.066 -28.986 -4.251 1.00 0.00 H new ATOM 0 HD21 ASN A 98 79.908 -27.859 -2.441 1.00 0.00 H new ATOM 0 HD22 ASN A 98 78.316 -28.624 -2.383 1.00 0.00 H new ATOM 1169 N LYS A 99 79.441 -29.410 -7.263 1.00 0.00 N ATOM 1170 CA LYS A 99 80.350 -30.510 -7.652 1.00 0.00 C ATOM 1171 C LYS A 99 80.918 -31.211 -6.390 1.00 0.00 C ATOM 1172 O LYS A 99 80.941 -30.621 -5.314 1.00 0.00 O ATOM 1173 CB LYS A 99 81.492 -29.935 -8.541 1.00 0.00 C ATOM 1174 CG LYS A 99 82.396 -30.979 -9.239 1.00 0.00 C ATOM 1175 CD LYS A 99 81.615 -31.905 -10.206 1.00 0.00 C ATOM 1176 CE LYS A 99 82.534 -32.818 -11.039 1.00 0.00 C ATOM 1177 NZ LYS A 99 81.772 -33.705 -11.955 1.00 0.00 N ATOM 0 H LYS A 99 79.780 -28.489 -7.539 1.00 0.00 H new ATOM 0 HA LYS A 99 79.801 -31.258 -8.224 1.00 0.00 H new ATOM 0 HB2 LYS A 99 81.046 -29.300 -9.306 1.00 0.00 H new ATOM 0 HB3 LYS A 99 82.120 -29.295 -7.922 1.00 0.00 H new ATOM 0 HG2 LYS A 99 83.179 -30.461 -9.793 1.00 0.00 H new ATOM 0 HG3 LYS A 99 82.891 -31.587 -8.482 1.00 0.00 H new ATOM 0 HD2 LYS A 99 80.924 -32.522 -9.631 1.00 0.00 H new ATOM 0 HD3 LYS A 99 81.013 -31.294 -10.878 1.00 0.00 H new ATOM 0 HE2 LYS A 99 83.221 -32.204 -11.621 1.00 0.00 H new ATOM 0 HE3 LYS A 99 83.140 -33.427 -10.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 82.434 -34.299 -12.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 81.135 -34.311 -11.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 81.213 -33.126 -12.614 1.00 0.00 H new ATOM 1191 N ASP A 100 81.366 -32.469 -6.522 1.00 0.00 N ATOM 1192 CA ASP A 100 81.895 -33.261 -5.387 1.00 0.00 C ATOM 1193 C ASP A 100 83.375 -32.940 -5.114 1.00 0.00 C ATOM 1194 O ASP A 100 83.884 -33.247 -4.031 1.00 0.00 O ATOM 1195 CB ASP A 100 81.727 -34.784 -5.665 1.00 0.00 C ATOM 1196 CG ASP A 100 80.273 -35.214 -5.924 1.00 0.00 C ATOM 1197 OD1 ASP A 100 79.392 -34.924 -5.084 1.00 0.00 O ATOM 1198 OD2 ASP A 100 80.000 -35.850 -6.967 1.00 0.00 O ATOM 0 H ASP A 100 81.374 -32.969 -7.411 1.00 0.00 H new ATOM 0 HA ASP A 100 81.321 -32.990 -4.501 1.00 0.00 H new ATOM 0 HB2 ASP A 100 82.335 -35.055 -6.528 1.00 0.00 H new ATOM 0 HB3 ASP A 100 82.115 -35.344 -4.814 1.00 0.00 H new ATOM 1203 N ASP A 101 84.053 -32.310 -6.092 1.00 0.00 N ATOM 1204 CA ASP A 101 85.516 -32.113 -6.050 1.00 0.00 C ATOM 1205 C ASP A 101 85.945 -31.037 -5.041 1.00 0.00 C ATOM 1206 O ASP A 101 86.854 -31.285 -4.253 1.00 0.00 O ATOM 1207 CB ASP A 101 86.061 -31.802 -7.460 1.00 0.00 C ATOM 1208 CG ASP A 101 85.978 -33.020 -8.387 1.00 0.00 C ATOM 1209 OD1 ASP A 101 84.874 -33.335 -8.863 1.00 0.00 O ATOM 1210 OD2 ASP A 101 87.004 -33.691 -8.625 1.00 0.00 O ATOM 0 H ASP A 101 83.608 -31.926 -6.926 1.00 0.00 H new ATOM 0 HA ASP A 101 85.952 -33.049 -5.702 1.00 0.00 H new ATOM 0 HB2 ASP A 101 85.496 -30.977 -7.894 1.00 0.00 H new ATOM 0 HB3 ASP A 101 87.098 -31.474 -7.384 1.00 0.00 H new ATOM 1215 N LEU A 102 85.314 -29.837 -5.072 1.00 0.00 N ATOM 1216 CA LEU A 102 85.621 -28.760 -4.083 1.00 0.00 C ATOM 1217 C LEU A 102 85.261 -29.211 -2.664 1.00 0.00 C ATOM 1218 O LEU A 102 85.962 -28.860 -1.710 1.00 0.00 O ATOM 1219 CB LEU A 102 84.986 -27.356 -4.453 1.00 0.00 C ATOM 1220 CG LEU A 102 83.419 -27.119 -4.431 1.00 0.00 C ATOM 1221 CD1 LEU A 102 82.666 -28.168 -5.248 1.00 0.00 C ATOM 1222 CD2 LEU A 102 82.836 -26.975 -2.997 1.00 0.00 C ATOM 0 H LEU A 102 84.600 -29.588 -5.757 1.00 0.00 H new ATOM 0 HA LEU A 102 86.698 -28.595 -4.123 1.00 0.00 H new ATOM 0 HB2 LEU A 102 85.426 -26.623 -3.777 1.00 0.00 H new ATOM 0 HB3 LEU A 102 85.329 -27.109 -5.458 1.00 0.00 H new ATOM 0 HG LEU A 102 83.262 -26.155 -4.916 1.00 0.00 H new ATOM 0 HD11 LEU A 102 81.596 -27.965 -5.203 1.00 0.00 H new ATOM 0 HD12 LEU A 102 83.000 -28.130 -6.285 1.00 0.00 H new ATOM 0 HD13 LEU A 102 82.864 -29.159 -4.839 1.00 0.00 H new ATOM 0 HD21 LEU A 102 81.759 -26.815 -3.056 1.00 0.00 H new ATOM 0 HD22 LEU A 102 83.037 -27.884 -2.430 1.00 0.00 H new ATOM 0 HD23 LEU A 102 83.302 -26.125 -2.498 1.00 0.00 H new ATOM 1234 N GLN A 103 84.184 -30.014 -2.548 1.00 0.00 N ATOM 1235 CA GLN A 103 83.744 -30.589 -1.266 1.00 0.00 C ATOM 1236 C GLN A 103 84.835 -31.493 -0.698 1.00 0.00 C ATOM 1237 O GLN A 103 85.233 -31.339 0.450 1.00 0.00 O ATOM 1238 CB GLN A 103 82.445 -31.416 -1.445 1.00 0.00 C ATOM 1239 CG GLN A 103 81.232 -30.619 -1.948 1.00 0.00 C ATOM 1240 CD GLN A 103 79.993 -31.486 -2.242 1.00 0.00 C ATOM 1241 OE1 GLN A 103 79.175 -31.064 -3.193 1.00 0.00 O flip ATOM 1242 NE2 GLN A 103 79.784 -32.529 -1.618 1.00 0.00 N flip ATOM 0 H GLN A 103 83.598 -30.280 -3.339 1.00 0.00 H new ATOM 0 HA GLN A 103 83.547 -29.766 -0.579 1.00 0.00 H new ATOM 0 HB2 GLN A 103 82.643 -32.228 -2.145 1.00 0.00 H new ATOM 0 HB3 GLN A 103 82.189 -31.874 -0.489 1.00 0.00 H new ATOM 0 HG2 GLN A 103 80.969 -29.868 -1.203 1.00 0.00 H new ATOM 0 HG3 GLN A 103 81.512 -30.084 -2.855 1.00 0.00 H new ATOM 0 HE21 GLN A 103 80.434 -32.827 -0.891 1.00 0.00 H new ATOM 0 HE22 GLN A 103 78.961 -33.094 -1.829 1.00 0.00 H new ATOM 1251 N ALA A 104 85.320 -32.407 -1.559 1.00 0.00 N ATOM 1252 CA ALA A 104 86.323 -33.417 -1.199 1.00 0.00 C ATOM 1253 C ALA A 104 87.697 -32.782 -0.933 1.00 0.00 C ATOM 1254 O ALA A 104 88.459 -33.288 -0.116 1.00 0.00 O ATOM 1255 CB ALA A 104 86.418 -34.463 -2.318 1.00 0.00 C ATOM 0 H ALA A 104 85.021 -32.463 -2.533 1.00 0.00 H new ATOM 0 HA ALA A 104 86.008 -33.901 -0.274 1.00 0.00 H new ATOM 0 HB1 ALA A 104 87.162 -35.214 -2.052 1.00 0.00 H new ATOM 0 HB2 ALA A 104 85.449 -34.944 -2.450 1.00 0.00 H new ATOM 0 HB3 ALA A 104 86.711 -33.975 -3.248 1.00 0.00 H new ATOM 1261 N ALA A 105 87.994 -31.674 -1.645 1.00 0.00 N ATOM 1262 CA ALA A 105 89.281 -30.960 -1.545 1.00 0.00 C ATOM 1263 C ALA A 105 89.396 -30.206 -0.207 1.00 0.00 C ATOM 1264 O ALA A 105 90.428 -30.294 0.475 1.00 0.00 O ATOM 1265 CB ALA A 105 89.448 -30.001 -2.736 1.00 0.00 C ATOM 0 H ALA A 105 87.344 -31.250 -2.307 1.00 0.00 H new ATOM 0 HA ALA A 105 90.086 -31.694 -1.576 1.00 0.00 H new ATOM 0 HB1 ALA A 105 90.401 -29.479 -2.652 1.00 0.00 H new ATOM 0 HB2 ALA A 105 89.426 -30.569 -3.666 1.00 0.00 H new ATOM 0 HB3 ALA A 105 88.635 -29.275 -2.735 1.00 0.00 H new ATOM 1271 N ILE A 106 88.313 -29.476 0.160 1.00 0.00 N ATOM 1272 CA ILE A 106 88.220 -28.745 1.442 1.00 0.00 C ATOM 1273 C ILE A 106 88.157 -29.751 2.607 1.00 0.00 C ATOM 1274 O ILE A 106 88.769 -29.537 3.657 1.00 0.00 O ATOM 1275 CB ILE A 106 86.956 -27.792 1.474 1.00 0.00 C ATOM 1276 CG1 ILE A 106 87.034 -26.715 0.340 1.00 0.00 C ATOM 1277 CG2 ILE A 106 86.778 -27.120 2.862 1.00 0.00 C ATOM 1278 CD1 ILE A 106 88.208 -25.749 0.439 1.00 0.00 C ATOM 0 H ILE A 106 87.483 -29.380 -0.425 1.00 0.00 H new ATOM 0 HA ILE A 106 89.108 -28.121 1.546 1.00 0.00 H new ATOM 0 HB ILE A 106 86.078 -28.413 1.295 1.00 0.00 H new ATOM 0 HG12 ILE A 106 87.086 -27.226 -0.621 1.00 0.00 H new ATOM 0 HG13 ILE A 106 86.109 -26.138 0.345 1.00 0.00 H new ATOM 0 HG21 ILE A 106 85.900 -26.474 2.844 1.00 0.00 H new ATOM 0 HG22 ILE A 106 86.647 -27.888 3.624 1.00 0.00 H new ATOM 0 HG23 ILE A 106 87.661 -26.525 3.094 1.00 0.00 H new ATOM 0 HD11 ILE A 106 88.171 -25.045 -0.392 1.00 0.00 H new ATOM 0 HD12 ILE A 106 88.151 -25.203 1.381 1.00 0.00 H new ATOM 0 HD13 ILE A 106 89.143 -26.308 0.399 1.00 0.00 H new ATOM 1290 N ALA A 107 87.413 -30.854 2.383 1.00 0.00 N ATOM 1291 CA ALA A 107 87.232 -31.943 3.363 1.00 0.00 C ATOM 1292 C ALA A 107 88.569 -32.648 3.676 1.00 0.00 C ATOM 1293 O ALA A 107 88.891 -32.901 4.846 1.00 0.00 O ATOM 1294 CB ALA A 107 86.169 -32.941 2.844 1.00 0.00 C ATOM 0 H ALA A 107 86.916 -31.014 1.507 1.00 0.00 H new ATOM 0 HA ALA A 107 86.877 -31.515 4.300 1.00 0.00 H new ATOM 0 HB1 ALA A 107 86.038 -33.743 3.570 1.00 0.00 H new ATOM 0 HB2 ALA A 107 85.221 -32.422 2.702 1.00 0.00 H new ATOM 0 HB3 ALA A 107 86.498 -33.362 1.894 1.00 0.00 H new ATOM 1300 N LEU A 108 89.352 -32.910 2.608 1.00 0.00 N ATOM 1301 CA LEU A 108 90.685 -33.551 2.699 1.00 0.00 C ATOM 1302 C LEU A 108 91.657 -32.598 3.407 1.00 0.00 C ATOM 1303 O LEU A 108 92.455 -33.031 4.232 1.00 0.00 O ATOM 1304 CB LEU A 108 91.195 -33.937 1.263 1.00 0.00 C ATOM 1305 CG LEU A 108 92.430 -34.923 1.150 1.00 0.00 C ATOM 1306 CD1 LEU A 108 92.472 -35.597 -0.239 1.00 0.00 C ATOM 1307 CD2 LEU A 108 93.791 -34.228 1.432 1.00 0.00 C ATOM 0 H LEU A 108 89.077 -32.682 1.652 1.00 0.00 H new ATOM 0 HA LEU A 108 90.619 -34.469 3.282 1.00 0.00 H new ATOM 0 HB2 LEU A 108 90.361 -34.384 0.722 1.00 0.00 H new ATOM 0 HB3 LEU A 108 91.455 -33.015 0.743 1.00 0.00 H new ATOM 0 HG LEU A 108 92.283 -35.679 1.922 1.00 0.00 H new ATOM 0 HD11 LEU A 108 93.329 -36.269 -0.292 1.00 0.00 H new ATOM 0 HD12 LEU A 108 91.555 -36.165 -0.396 1.00 0.00 H new ATOM 0 HD13 LEU A 108 92.562 -34.833 -1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 108 94.597 -34.956 1.339 1.00 0.00 H new ATOM 0 HD22 LEU A 108 93.944 -33.423 0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 108 93.788 -33.817 2.442 1.00 0.00 H new ATOM 1319 N SER A 109 91.561 -31.295 3.075 1.00 0.00 N ATOM 1320 CA SER A 109 92.423 -30.247 3.652 1.00 0.00 C ATOM 1321 C SER A 109 92.166 -30.075 5.162 1.00 0.00 C ATOM 1322 O SER A 109 93.115 -29.925 5.945 1.00 0.00 O ATOM 1323 CB SER A 109 92.182 -28.914 2.904 1.00 0.00 C ATOM 1324 OG SER A 109 92.979 -27.862 3.424 1.00 0.00 O ATOM 0 H SER A 109 90.884 -30.941 2.400 1.00 0.00 H new ATOM 0 HA SER A 109 93.464 -30.548 3.532 1.00 0.00 H new ATOM 0 HB2 SER A 109 92.403 -29.047 1.845 1.00 0.00 H new ATOM 0 HB3 SER A 109 91.129 -28.642 2.978 1.00 0.00 H new ATOM 0 HG SER A 109 92.799 -27.038 2.925 1.00 0.00 H new ATOM 1330 N LEU A 110 90.879 -30.116 5.551 1.00 0.00 N ATOM 1331 CA LEU A 110 90.450 -29.912 6.944 1.00 0.00 C ATOM 1332 C LEU A 110 90.913 -31.084 7.817 1.00 0.00 C ATOM 1333 O LEU A 110 91.571 -30.885 8.846 1.00 0.00 O ATOM 1334 CB LEU A 110 88.906 -29.770 7.028 1.00 0.00 C ATOM 1335 CG LEU A 110 88.337 -29.442 8.453 1.00 0.00 C ATOM 1336 CD1 LEU A 110 88.730 -28.016 8.918 1.00 0.00 C ATOM 1337 CD2 LEU A 110 86.811 -29.660 8.516 1.00 0.00 C ATOM 0 H LEU A 110 90.108 -30.292 4.907 1.00 0.00 H new ATOM 0 HA LEU A 110 90.905 -28.991 7.310 1.00 0.00 H new ATOM 0 HB2 LEU A 110 88.592 -28.984 6.340 1.00 0.00 H new ATOM 0 HB3 LEU A 110 88.453 -30.698 6.679 1.00 0.00 H new ATOM 0 HG LEU A 110 88.796 -30.142 9.151 1.00 0.00 H new ATOM 0 HD11 LEU A 110 88.316 -27.829 9.909 1.00 0.00 H new ATOM 0 HD12 LEU A 110 89.816 -27.932 8.957 1.00 0.00 H new ATOM 0 HD13 LEU A 110 88.334 -27.282 8.216 1.00 0.00 H new ATOM 0 HD21 LEU A 110 86.451 -29.423 9.517 1.00 0.00 H new ATOM 0 HD22 LEU A 110 86.320 -29.011 7.791 1.00 0.00 H new ATOM 0 HD23 LEU A 110 86.582 -30.700 8.284 1.00 0.00 H new ATOM 1349 N LEU A 111 90.575 -32.310 7.371 1.00 0.00 N ATOM 1350 CA LEU A 111 90.931 -33.554 8.079 1.00 0.00 C ATOM 1351 C LEU A 111 92.438 -33.805 8.041 1.00 0.00 C ATOM 1352 O LEU A 111 92.979 -34.380 8.981 1.00 0.00 O ATOM 1353 CB LEU A 111 90.179 -34.769 7.470 1.00 0.00 C ATOM 1354 CG LEU A 111 88.621 -34.720 7.545 1.00 0.00 C ATOM 1355 CD1 LEU A 111 87.981 -35.983 6.925 1.00 0.00 C ATOM 1356 CD2 LEU A 111 88.129 -34.491 8.999 1.00 0.00 C ATOM 0 H LEU A 111 90.048 -32.465 6.511 1.00 0.00 H new ATOM 0 HA LEU A 111 90.629 -33.434 9.119 1.00 0.00 H new ATOM 0 HB2 LEU A 111 90.469 -34.863 6.424 1.00 0.00 H new ATOM 0 HB3 LEU A 111 90.519 -35.672 7.977 1.00 0.00 H new ATOM 0 HG LEU A 111 88.295 -33.866 6.951 1.00 0.00 H new ATOM 0 HD11 LEU A 111 86.896 -35.913 6.996 1.00 0.00 H new ATOM 0 HD12 LEU A 111 88.272 -36.062 5.878 1.00 0.00 H new ATOM 0 HD13 LEU A 111 88.323 -36.866 7.464 1.00 0.00 H new ATOM 0 HD21 LEU A 111 87.039 -34.462 9.014 1.00 0.00 H new ATOM 0 HD22 LEU A 111 88.479 -35.305 9.634 1.00 0.00 H new ATOM 0 HD23 LEU A 111 88.522 -33.545 9.371 1.00 0.00 H new ATOM 1368 N GLU A 112 93.090 -33.335 6.940 1.00 0.00 N ATOM 1369 CA GLU A 112 94.510 -33.609 6.581 1.00 0.00 C ATOM 1370 C GLU A 112 94.923 -35.061 6.895 1.00 0.00 C ATOM 1371 O GLU A 112 96.018 -35.330 7.402 1.00 0.00 O ATOM 1372 CB GLU A 112 95.487 -32.545 7.172 1.00 0.00 C ATOM 1373 CG GLU A 112 95.522 -32.405 8.710 1.00 0.00 C ATOM 1374 CD GLU A 112 96.602 -31.421 9.189 1.00 0.00 C ATOM 1375 OE1 GLU A 112 96.401 -30.195 9.052 1.00 0.00 O ATOM 1376 OE2 GLU A 112 97.655 -31.870 9.693 1.00 0.00 O ATOM 0 H GLU A 112 92.626 -32.736 6.257 1.00 0.00 H new ATOM 0 HA GLU A 112 94.588 -33.509 5.498 1.00 0.00 H new ATOM 0 HB2 GLU A 112 96.494 -32.783 6.830 1.00 0.00 H new ATOM 0 HB3 GLU A 112 95.228 -31.574 6.749 1.00 0.00 H new ATOM 0 HG2 GLU A 112 94.547 -32.069 9.063 1.00 0.00 H new ATOM 0 HG3 GLU A 112 95.703 -33.383 9.156 1.00 0.00 H new ATOM 1383 N SER A 113 94.005 -35.977 6.538 1.00 0.00 N ATOM 1384 CA SER A 113 94.129 -37.417 6.776 1.00 0.00 C ATOM 1385 C SER A 113 95.438 -37.975 6.172 1.00 0.00 C ATOM 1386 O SER A 113 95.734 -37.675 5.009 1.00 0.00 O ATOM 1387 CB SER A 113 92.886 -38.126 6.176 1.00 0.00 C ATOM 1388 OG SER A 113 92.666 -37.734 4.828 1.00 0.00 O ATOM 0 H SER A 113 93.137 -35.725 6.065 1.00 0.00 H new ATOM 0 HA SER A 113 94.173 -37.606 7.849 1.00 0.00 H new ATOM 0 HB2 SER A 113 93.023 -39.206 6.225 1.00 0.00 H new ATOM 0 HB3 SER A 113 92.006 -37.889 6.774 1.00 0.00 H new ATOM 0 HG SER A 113 93.519 -37.479 4.418 1.00 0.00 H new ATOM 1394 N PRO A 114 96.254 -38.769 6.961 1.00 0.00 N ATOM 1395 CA PRO A 114 97.551 -39.322 6.489 1.00 0.00 C ATOM 1396 C PRO A 114 97.384 -40.130 5.191 1.00 0.00 C ATOM 1397 O PRO A 114 96.560 -41.055 5.129 1.00 0.00 O ATOM 1398 CB PRO A 114 98.026 -40.224 7.662 1.00 0.00 C ATOM 1399 CG PRO A 114 97.322 -39.668 8.868 1.00 0.00 C ATOM 1400 CD PRO A 114 95.973 -39.183 8.366 1.00 0.00 C ATOM 0 HA PRO A 114 98.270 -38.540 6.246 1.00 0.00 H new ATOM 0 HB2 PRO A 114 97.761 -41.268 7.493 1.00 0.00 H new ATOM 0 HB3 PRO A 114 99.109 -40.185 7.780 1.00 0.00 H new ATOM 0 HG2 PRO A 114 97.203 -40.430 9.638 1.00 0.00 H new ATOM 0 HG3 PRO A 114 97.891 -38.852 9.313 1.00 0.00 H new ATOM 0 HD2 PRO A 114 95.221 -39.971 8.410 1.00 0.00 H new ATOM 0 HD3 PRO A 114 95.598 -38.351 8.962 1.00 0.00 H new ATOM 1408 N LYS A 115 98.168 -39.769 4.162 1.00 0.00 N ATOM 1409 CA LYS A 115 98.076 -40.359 2.814 1.00 0.00 C ATOM 1410 C LYS A 115 98.941 -41.638 2.710 1.00 0.00 C ATOM 1411 O LYS A 115 99.647 -41.861 1.715 1.00 0.00 O ATOM 1412 CB LYS A 115 98.488 -39.296 1.756 1.00 0.00 C ATOM 1413 CG LYS A 115 97.567 -38.049 1.705 1.00 0.00 C ATOM 1414 CD LYS A 115 97.955 -37.050 0.581 1.00 0.00 C ATOM 1415 CE LYS A 115 97.905 -37.678 -0.822 1.00 0.00 C ATOM 1416 NZ LYS A 115 98.193 -36.687 -1.890 1.00 0.00 N ATOM 0 H LYS A 115 98.890 -39.053 4.242 1.00 0.00 H new ATOM 0 HA LYS A 115 97.046 -40.658 2.620 1.00 0.00 H new ATOM 0 HB2 LYS A 115 99.507 -38.971 1.964 1.00 0.00 H new ATOM 0 HB3 LYS A 115 98.498 -39.765 0.772 1.00 0.00 H new ATOM 0 HG2 LYS A 115 96.537 -38.372 1.556 1.00 0.00 H new ATOM 0 HG3 LYS A 115 97.605 -37.537 2.667 1.00 0.00 H new ATOM 0 HD2 LYS A 115 97.281 -36.194 0.614 1.00 0.00 H new ATOM 0 HD3 LYS A 115 98.960 -36.672 0.769 1.00 0.00 H new ATOM 0 HE2 LYS A 115 98.627 -38.492 -0.880 1.00 0.00 H new ATOM 0 HE3 LYS A 115 96.920 -38.113 -0.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 98.148 -37.154 -2.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 97.489 -35.922 -1.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 99.143 -36.290 -1.748 1.00 0.00 H new ATOM 1430 N ILE A 116 98.840 -42.492 3.753 1.00 0.00 N ATOM 1431 CA ILE A 116 99.455 -43.817 3.790 1.00 0.00 C ATOM 1432 C ILE A 116 98.670 -44.731 2.836 1.00 0.00 C ATOM 1433 O ILE A 116 97.613 -45.267 3.192 1.00 0.00 O ATOM 1434 CB ILE A 116 99.459 -44.418 5.250 1.00 0.00 C ATOM 1435 CG1 ILE A 116 100.169 -43.440 6.244 1.00 0.00 C ATOM 1436 CG2 ILE A 116 100.126 -45.824 5.292 1.00 0.00 C ATOM 1437 CD1 ILE A 116 100.255 -43.940 7.670 1.00 0.00 C ATOM 0 H ILE A 116 98.319 -42.267 4.600 1.00 0.00 H new ATOM 0 HA ILE A 116 100.496 -43.740 3.478 1.00 0.00 H new ATOM 0 HB ILE A 116 98.421 -44.539 5.560 1.00 0.00 H new ATOM 0 HG12 ILE A 116 101.178 -43.244 5.881 1.00 0.00 H new ATOM 0 HG13 ILE A 116 99.637 -42.489 6.238 1.00 0.00 H new ATOM 0 HG21 ILE A 116 100.109 -46.204 6.313 1.00 0.00 H new ATOM 0 HG22 ILE A 116 99.578 -46.506 4.642 1.00 0.00 H new ATOM 0 HG23 ILE A 116 101.158 -45.747 4.950 1.00 0.00 H new ATOM 0 HD11 ILE A 116 100.762 -43.197 8.286 1.00 0.00 H new ATOM 0 HD12 ILE A 116 99.250 -44.108 8.058 1.00 0.00 H new ATOM 0 HD13 ILE A 116 100.815 -44.875 7.695 1.00 0.00 H new ATOM 1449 N GLN A 117 99.140 -44.792 1.590 1.00 0.00 N ATOM 1450 CA GLN A 117 98.568 -45.647 0.544 1.00 0.00 C ATOM 1451 C GLN A 117 99.548 -46.799 0.298 1.00 0.00 C ATOM 1452 O GLN A 117 100.353 -46.745 -0.637 1.00 0.00 O ATOM 1453 CB GLN A 117 98.299 -44.798 -0.732 1.00 0.00 C ATOM 1454 CG GLN A 117 97.308 -43.625 -0.509 1.00 0.00 C ATOM 1455 CD GLN A 117 97.126 -42.701 -1.721 1.00 0.00 C ATOM 1456 OE1 GLN A 117 97.274 -43.125 -2.869 1.00 0.00 O ATOM 1457 NE2 GLN A 117 96.802 -41.435 -1.475 1.00 0.00 N ATOM 0 H GLN A 117 99.939 -44.243 1.272 1.00 0.00 H new ATOM 0 HA GLN A 117 97.609 -46.069 0.844 1.00 0.00 H new ATOM 0 HB2 GLN A 117 99.245 -44.397 -1.096 1.00 0.00 H new ATOM 0 HB3 GLN A 117 97.907 -45.449 -1.513 1.00 0.00 H new ATOM 0 HG2 GLN A 117 96.337 -44.035 -0.233 1.00 0.00 H new ATOM 0 HG3 GLN A 117 97.655 -43.030 0.336 1.00 0.00 H new ATOM 0 HE21 GLN A 117 96.687 -41.116 -0.513 1.00 0.00 H new ATOM 0 HE22 GLN A 117 96.669 -40.783 -2.248 1.00 0.00 H new ATOM 1466 N ALA A 118 99.514 -47.791 1.231 1.00 0.00 N ATOM 1467 CA ALA A 118 100.405 -48.977 1.260 1.00 0.00 C ATOM 1468 C ALA A 118 101.869 -48.585 1.597 1.00 0.00 C ATOM 1469 O ALA A 118 102.329 -48.808 2.718 1.00 0.00 O ATOM 1470 CB ALA A 118 100.318 -49.805 -0.046 1.00 0.00 C ATOM 0 H ALA A 118 98.847 -47.784 2.002 1.00 0.00 H new ATOM 0 HA ALA A 118 100.049 -49.621 2.064 1.00 0.00 H new ATOM 0 HB1 ALA A 118 100.987 -50.663 0.022 1.00 0.00 H new ATOM 0 HB2 ALA A 118 99.295 -50.153 -0.188 1.00 0.00 H new ATOM 0 HB3 ALA A 118 100.610 -49.182 -0.892 1.00 0.00 H new ATOM 1476 N ASP A 119 102.562 -47.942 0.631 1.00 0.00 N ATOM 1477 CA ASP A 119 104.003 -47.592 0.721 1.00 0.00 C ATOM 1478 C ASP A 119 104.309 -46.535 1.809 1.00 0.00 C ATOM 1479 O ASP A 119 105.483 -46.333 2.155 1.00 0.00 O ATOM 1480 CB ASP A 119 104.510 -47.075 -0.656 1.00 0.00 C ATOM 1481 CG ASP A 119 104.295 -48.090 -1.786 1.00 0.00 C ATOM 1482 OD1 ASP A 119 105.147 -48.993 -1.966 1.00 0.00 O ATOM 1483 OD2 ASP A 119 103.265 -48.009 -2.489 1.00 0.00 O ATOM 0 H ASP A 119 102.133 -47.646 -0.246 1.00 0.00 H new ATOM 0 HA ASP A 119 104.526 -48.505 1.005 1.00 0.00 H new ATOM 0 HB2 ASP A 119 103.994 -46.147 -0.903 1.00 0.00 H new ATOM 0 HB3 ASP A 119 105.572 -46.839 -0.582 1.00 0.00 H new ATOM 1488 N GLY A 120 103.260 -45.874 2.356 1.00 0.00 N ATOM 1489 CA GLY A 120 103.428 -44.840 3.396 1.00 0.00 C ATOM 1490 C GLY A 120 103.529 -45.399 4.822 1.00 0.00 C ATOM 1491 O GLY A 120 103.226 -44.677 5.785 1.00 0.00 O ATOM 0 H GLY A 120 102.289 -46.042 2.091 1.00 0.00 H new ATOM 0 HA2 GLY A 120 104.327 -44.263 3.178 1.00 0.00 H new ATOM 0 HA3 GLY A 120 102.586 -44.149 3.346 1.00 0.00 H new ATOM 1495 N ARG A 121 103.956 -46.682 4.940 1.00 0.00 N ATOM 1496 CA ARG A 121 104.154 -47.438 6.219 1.00 0.00 C ATOM 1497 C ARG A 121 104.902 -46.645 7.312 1.00 0.00 C ATOM 1498 O ARG A 121 104.778 -46.966 8.501 1.00 0.00 O ATOM 1499 CB ARG A 121 104.955 -48.746 5.929 1.00 0.00 C ATOM 1500 CG ARG A 121 104.231 -49.791 5.049 1.00 0.00 C ATOM 1501 CD ARG A 121 103.037 -50.442 5.765 1.00 0.00 C ATOM 1502 NE ARG A 121 103.466 -51.154 6.987 1.00 0.00 N ATOM 1503 CZ ARG A 121 102.641 -51.637 7.933 1.00 0.00 C ATOM 1504 NH1 ARG A 121 101.320 -51.536 7.814 1.00 0.00 N ATOM 1505 NH2 ARG A 121 103.149 -52.244 8.994 1.00 0.00 N ATOM 0 H ARG A 121 104.182 -47.246 4.121 1.00 0.00 H new ATOM 0 HA ARG A 121 103.155 -47.646 6.601 1.00 0.00 H new ATOM 0 HB2 ARG A 121 105.893 -48.476 5.444 1.00 0.00 H new ATOM 0 HB3 ARG A 121 105.211 -49.213 6.880 1.00 0.00 H new ATOM 0 HG2 ARG A 121 103.884 -49.312 4.134 1.00 0.00 H new ATOM 0 HG3 ARG A 121 104.939 -50.565 4.754 1.00 0.00 H new ATOM 0 HD2 ARG A 121 102.305 -49.677 6.025 1.00 0.00 H new ATOM 0 HD3 ARG A 121 102.542 -51.140 5.090 1.00 0.00 H new ATOM 0 HE ARG A 121 104.468 -51.290 7.124 1.00 0.00 H new ATOM 0 HH11 ARG A 121 100.915 -51.085 6.993 1.00 0.00 H new ATOM 0 HH12 ARG A 121 100.712 -51.909 8.543 1.00 0.00 H new ATOM 0 HH21 ARG A 121 104.160 -52.343 9.090 1.00 0.00 H new ATOM 0 HH22 ARG A 121 102.530 -52.613 9.716 1.00 0.00 H new ATOM 1519 N ASP A 122 105.675 -45.647 6.879 1.00 0.00 N ATOM 1520 CA ASP A 122 106.534 -44.816 7.726 1.00 0.00 C ATOM 1521 C ASP A 122 105.783 -44.179 8.910 1.00 0.00 C ATOM 1522 O ASP A 122 106.295 -44.134 10.036 1.00 0.00 O ATOM 1523 CB ASP A 122 107.156 -43.705 6.850 1.00 0.00 C ATOM 1524 CG ASP A 122 108.297 -42.939 7.553 1.00 0.00 C ATOM 1525 OD1 ASP A 122 109.401 -43.515 7.701 1.00 0.00 O ATOM 1526 OD2 ASP A 122 108.094 -41.781 7.980 1.00 0.00 O ATOM 0 H ASP A 122 105.722 -45.386 5.894 1.00 0.00 H new ATOM 0 HA ASP A 122 107.301 -45.461 8.155 1.00 0.00 H new ATOM 0 HB2 ASP A 122 107.538 -44.148 5.931 1.00 0.00 H new ATOM 0 HB3 ASP A 122 106.377 -42.999 6.563 1.00 0.00 H new ATOM 1531 N LEU A 123 104.546 -43.715 8.645 1.00 0.00 N ATOM 1532 CA LEU A 123 103.724 -42.963 9.624 1.00 0.00 C ATOM 1533 C LEU A 123 102.709 -43.892 10.341 1.00 0.00 C ATOM 1534 O LEU A 123 101.606 -43.453 10.721 1.00 0.00 O ATOM 1535 CB LEU A 123 103.009 -41.797 8.884 1.00 0.00 C ATOM 1536 CG LEU A 123 103.928 -40.836 8.062 1.00 0.00 C ATOM 1537 CD1 LEU A 123 103.099 -39.761 7.322 1.00 0.00 C ATOM 1538 CD2 LEU A 123 105.019 -40.197 8.958 1.00 0.00 C ATOM 0 H LEU A 123 104.084 -43.849 7.745 1.00 0.00 H new ATOM 0 HA LEU A 123 104.369 -42.553 10.401 1.00 0.00 H new ATOM 0 HB2 LEU A 123 102.267 -42.223 8.208 1.00 0.00 H new ATOM 0 HB3 LEU A 123 102.466 -41.205 9.621 1.00 0.00 H new ATOM 0 HG LEU A 123 104.437 -41.433 7.305 1.00 0.00 H new ATOM 0 HD11 LEU A 123 103.768 -39.109 6.760 1.00 0.00 H new ATOM 0 HD12 LEU A 123 102.404 -40.246 6.636 1.00 0.00 H new ATOM 0 HD13 LEU A 123 102.540 -39.169 8.047 1.00 0.00 H new ATOM 0 HD21 LEU A 123 105.641 -39.534 8.357 1.00 0.00 H new ATOM 0 HD22 LEU A 123 104.545 -39.625 9.756 1.00 0.00 H new ATOM 0 HD23 LEU A 123 105.639 -40.982 9.392 1.00 0.00 H new ATOM 1550 N ASN A 124 103.111 -45.172 10.544 1.00 0.00 N ATOM 1551 CA ASN A 124 102.283 -46.205 11.217 1.00 0.00 C ATOM 1552 C ASN A 124 102.005 -45.800 12.690 1.00 0.00 C ATOM 1553 O ASN A 124 102.922 -45.336 13.393 1.00 0.00 O ATOM 1554 CB ASN A 124 103.007 -47.584 11.160 1.00 0.00 C ATOM 1555 CG ASN A 124 102.170 -48.803 11.584 1.00 0.00 C ATOM 1556 OD1 ASN A 124 101.228 -48.712 12.374 1.00 0.00 O ATOM 1557 ND2 ASN A 124 102.521 -49.975 11.063 1.00 0.00 N ATOM 0 H ASN A 124 104.022 -45.518 10.244 1.00 0.00 H new ATOM 0 HA ASN A 124 101.328 -46.286 10.697 1.00 0.00 H new ATOM 0 HB2 ASN A 124 103.358 -47.746 10.141 1.00 0.00 H new ATOM 0 HB3 ASN A 124 103.890 -47.535 11.797 1.00 0.00 H new ATOM 0 HD21 ASN A 124 102.008 -50.820 11.315 1.00 0.00 H new ATOM 0 HD22 ASN A 124 103.303 -50.029 10.411 1.00 0.00 H new ATOM 1564 N ARG A 125 100.738 -45.968 13.128 1.00 0.00 N ATOM 1565 CA ARG A 125 100.319 -45.665 14.500 1.00 0.00 C ATOM 1566 C ARG A 125 100.822 -46.747 15.472 1.00 0.00 C ATOM 1567 O ARG A 125 100.254 -47.842 15.567 1.00 0.00 O ATOM 1568 CB ARG A 125 98.773 -45.524 14.590 1.00 0.00 C ATOM 1569 CG ARG A 125 98.206 -45.202 16.005 1.00 0.00 C ATOM 1570 CD ARG A 125 98.515 -43.775 16.511 1.00 0.00 C ATOM 1571 NE ARG A 125 99.937 -43.558 16.864 1.00 0.00 N ATOM 1572 CZ ARG A 125 100.562 -42.363 16.862 1.00 0.00 C ATOM 1573 NH1 ARG A 125 99.931 -41.259 16.475 1.00 0.00 N ATOM 1574 NH2 ARG A 125 101.827 -42.277 17.235 1.00 0.00 N ATOM 0 H ARG A 125 99.984 -46.317 12.536 1.00 0.00 H new ATOM 0 HA ARG A 125 100.763 -44.712 14.787 1.00 0.00 H new ATOM 0 HB2 ARG A 125 98.458 -44.737 13.905 1.00 0.00 H new ATOM 0 HB3 ARG A 125 98.321 -46.452 14.240 1.00 0.00 H new ATOM 0 HG2 ARG A 125 97.125 -45.342 15.990 1.00 0.00 H new ATOM 0 HG3 ARG A 125 98.611 -45.922 16.717 1.00 0.00 H new ATOM 0 HD2 ARG A 125 98.228 -43.057 15.742 1.00 0.00 H new ATOM 0 HD3 ARG A 125 97.898 -43.569 17.386 1.00 0.00 H new ATOM 0 HE ARG A 125 100.486 -44.376 17.129 1.00 0.00 H new ATOM 0 HH11 ARG A 125 98.958 -41.307 16.173 1.00 0.00 H new ATOM 0 HH12 ARG A 125 100.420 -40.364 16.480 1.00 0.00 H new ATOM 0 HH21 ARG A 125 102.331 -43.115 17.525 1.00 0.00 H new ATOM 0 HH22 ARG A 125 102.299 -41.373 17.233 1.00 0.00 H new ATOM 1588 N MET A 126 101.925 -46.433 16.152 1.00 0.00 N ATOM 1589 CA MET A 126 102.437 -47.221 17.277 1.00 0.00 C ATOM 1590 C MET A 126 101.812 -46.697 18.578 1.00 0.00 C ATOM 1591 O MET A 126 101.587 -45.484 18.724 1.00 0.00 O ATOM 1592 CB MET A 126 103.985 -47.140 17.342 1.00 0.00 C ATOM 1593 CG MET A 126 104.711 -47.772 16.139 1.00 0.00 C ATOM 1594 SD MET A 126 106.508 -47.590 16.221 1.00 0.00 S ATOM 1595 CE MET A 126 106.906 -48.411 17.770 1.00 0.00 C ATOM 0 H MET A 126 102.495 -45.616 15.936 1.00 0.00 H new ATOM 0 HA MET A 126 102.166 -48.268 17.140 1.00 0.00 H new ATOM 0 HB2 MET A 126 104.278 -46.093 17.417 1.00 0.00 H new ATOM 0 HB3 MET A 126 104.324 -47.632 18.254 1.00 0.00 H new ATOM 0 HG2 MET A 126 104.461 -48.832 16.087 1.00 0.00 H new ATOM 0 HG3 MET A 126 104.347 -47.313 15.220 1.00 0.00 H new ATOM 0 HE1 MET A 126 107.985 -48.400 17.921 1.00 0.00 H new ATOM 0 HE2 MET A 126 106.419 -47.889 18.594 1.00 0.00 H new ATOM 0 HE3 MET A 126 106.555 -49.442 17.736 1.00 0.00 H new ATOM 1605 N HIS A 127 101.530 -47.624 19.504 1.00 0.00 N ATOM 1606 CA HIS A 127 100.905 -47.329 20.806 1.00 0.00 C ATOM 1607 C HIS A 127 101.157 -48.530 21.732 1.00 0.00 C ATOM 1608 O HIS A 127 100.638 -49.622 21.476 1.00 0.00 O ATOM 1609 CB HIS A 127 99.380 -47.016 20.649 1.00 0.00 C ATOM 1610 CG HIS A 127 98.572 -48.103 19.974 1.00 0.00 C ATOM 1611 ND1 HIS A 127 97.681 -48.906 20.646 1.00 0.00 N ATOM 1612 CD2 HIS A 127 98.553 -48.535 18.685 1.00 0.00 C ATOM 1613 CE1 HIS A 127 97.145 -49.767 19.806 1.00 0.00 C ATOM 1614 NE2 HIS A 127 97.659 -49.566 18.613 1.00 0.00 N ATOM 0 H HIS A 127 101.732 -48.615 19.370 1.00 0.00 H new ATOM 0 HA HIS A 127 101.348 -46.434 21.243 1.00 0.00 H new ATOM 0 HB2 HIS A 127 98.959 -46.831 21.637 1.00 0.00 H new ATOM 0 HB3 HIS A 127 99.270 -46.094 20.078 1.00 0.00 H new ATOM 0 HD1 HIS A 127 97.468 -48.844 21.642 1.00 0.00 H new ATOM 0 HD2 HIS A 127 99.137 -48.137 17.868 1.00 0.00 H new ATOM 0 HE1 HIS A 127 96.406 -50.514 20.056 1.00 0.00 H new ATOM 1623 N GLU A 128 102.011 -48.318 22.777 1.00 0.00 N ATOM 1624 CA GLU A 128 102.571 -49.374 23.687 1.00 0.00 C ATOM 1625 C GLU A 128 103.026 -50.672 22.959 1.00 0.00 C ATOM 1626 O GLU A 128 103.150 -51.743 23.579 1.00 0.00 O ATOM 1627 CB GLU A 128 101.646 -49.695 24.916 1.00 0.00 C ATOM 1628 CG GLU A 128 100.171 -50.110 24.642 1.00 0.00 C ATOM 1629 CD GLU A 128 99.200 -48.910 24.523 1.00 0.00 C ATOM 1630 OE1 GLU A 128 99.224 -48.025 25.411 1.00 0.00 O ATOM 1631 OE2 GLU A 128 98.399 -48.847 23.563 1.00 0.00 O ATOM 0 H GLU A 128 102.340 -47.383 23.019 1.00 0.00 H new ATOM 0 HA GLU A 128 103.479 -48.919 24.082 1.00 0.00 H new ATOM 0 HB2 GLU A 128 102.116 -50.497 25.486 1.00 0.00 H new ATOM 0 HB3 GLU A 128 101.630 -48.815 25.558 1.00 0.00 H new ATOM 0 HG2 GLU A 128 100.131 -50.691 23.721 1.00 0.00 H new ATOM 0 HG3 GLU A 128 99.831 -50.763 25.446 1.00 0.00 H new ATOM 1638 N ALA A 129 103.332 -50.551 21.656 1.00 0.00 N ATOM 1639 CA ALA A 129 103.752 -51.659 20.795 1.00 0.00 C ATOM 1640 C ALA A 129 105.189 -51.382 20.333 1.00 0.00 C ATOM 1641 O ALA A 129 105.416 -50.895 19.219 1.00 0.00 O ATOM 1642 CB ALA A 129 102.778 -51.815 19.602 1.00 0.00 C ATOM 0 H ALA A 129 103.292 -49.658 21.165 1.00 0.00 H new ATOM 0 HA ALA A 129 103.729 -52.602 21.341 1.00 0.00 H new ATOM 0 HB1 ALA A 129 103.104 -52.642 18.972 1.00 0.00 H new ATOM 0 HB2 ALA A 129 101.774 -52.017 19.976 1.00 0.00 H new ATOM 0 HB3 ALA A 129 102.769 -50.895 19.017 1.00 0.00 H new ATOM 1648 N THR A 130 106.144 -51.654 21.243 1.00 0.00 N ATOM 1649 CA THR A 130 107.579 -51.409 21.023 1.00 0.00 C ATOM 1650 C THR A 130 108.108 -52.270 19.857 1.00 0.00 C ATOM 1651 O THR A 130 108.687 -51.748 18.891 1.00 0.00 O ATOM 1652 CB THR A 130 108.398 -51.681 22.333 1.00 0.00 C ATOM 1653 OG1 THR A 130 108.142 -53.021 22.808 1.00 0.00 O ATOM 1654 CG2 THR A 130 108.052 -50.673 23.446 1.00 0.00 C ATOM 0 H THR A 130 105.937 -52.053 22.159 1.00 0.00 H new ATOM 0 HA THR A 130 107.707 -50.360 20.756 1.00 0.00 H new ATOM 0 HB THR A 130 109.454 -51.567 22.086 1.00 0.00 H new ATOM 0 HG1 THR A 130 108.659 -53.183 23.625 1.00 0.00 H new ATOM 0 HG21 THR A 130 108.641 -50.897 24.335 1.00 0.00 H new ATOM 0 HG22 THR A 130 108.279 -49.663 23.105 1.00 0.00 H new ATOM 0 HG23 THR A 130 106.991 -50.745 23.686 1.00 0.00 H new ATOM 1662 N SER A 131 107.878 -53.585 19.949 1.00 0.00 N ATOM 1663 CA SER A 131 108.206 -54.528 18.876 1.00 0.00 C ATOM 1664 C SER A 131 107.057 -54.546 17.848 1.00 0.00 C ATOM 1665 O SER A 131 105.925 -54.888 18.195 1.00 0.00 O ATOM 1666 CB SER A 131 108.452 -55.937 19.477 1.00 0.00 C ATOM 1667 OG SER A 131 107.343 -56.388 20.251 1.00 0.00 O ATOM 0 H SER A 131 107.460 -54.024 20.769 1.00 0.00 H new ATOM 0 HA SER A 131 109.118 -54.217 18.367 1.00 0.00 H new ATOM 0 HB2 SER A 131 108.645 -56.646 18.672 1.00 0.00 H new ATOM 0 HB3 SER A 131 109.345 -55.914 20.102 1.00 0.00 H new ATOM 0 HG SER A 131 106.511 -56.057 19.853 1.00 0.00 H new ATOM 1673 N ALA A 132 107.344 -54.125 16.600 1.00 0.00 N ATOM 1674 CA ALA A 132 106.362 -54.149 15.499 1.00 0.00 C ATOM 1675 C ALA A 132 106.413 -55.541 14.812 1.00 0.00 C ATOM 1676 O ALA A 132 107.114 -55.714 13.795 1.00 0.00 O ATOM 1677 CB ALA A 132 106.637 -52.977 14.524 1.00 0.00 C ATOM 1678 OXT ALA A 132 105.773 -56.481 15.333 1.00 0.00 O ATOM 0 H ALA A 132 108.257 -53.761 16.329 1.00 0.00 H new ATOM 0 HA ALA A 132 105.349 -54.006 15.875 1.00 0.00 H new ATOM 0 HB1 ALA A 132 105.909 -53.000 13.713 1.00 0.00 H new ATOM 0 HB2 ALA A 132 106.554 -52.031 15.059 1.00 0.00 H new ATOM 0 HB3 ALA A 132 107.642 -53.074 14.112 1.00 0.00 H new TER 1684 ALA A 132