USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 576 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 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 4 ASN : amide:sc= 0.0742 K(o=0.15,f=-3) USER MOD Set 2.2: A 89 ASN : amide:sc= 0.0737 X(o=0.15,f=0.26) USER MOD Set 3.1: A 86 MET CE :methyl -167:sc= -4.74! (180deg=-5.98!) USER MOD Set 3.2: A 90 TYR OH : rot 140:sc= 0.71 USER MOD Set 4.1: A 68 HIS : no HE2:sc= -2.78! C(o=-2.9!,f=-5.3!) USER MOD Set 4.2: A 69 THR OG1 : rot 180:sc= -0.077 USER MOD Set 5.1: A 65 ASN : amide:sc= 1.04 K(o=2.3,f=-0.95) USER MOD Set 5.2: A 71 THR OG1 : rot -134:sc= 1.24 USER MOD Single : A 7 ASN : amide:sc= -0.132 X(o=-0.13,f=-0.63!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 1.18 K(o=1.2,f=-5.8!) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 HIS : no HD1:sc= -0.0468 X(o=-0.047,f=0) USER MOD Single : A 33 THR OG1 : rot 72:sc= -0.32 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN :FLIP amide:sc= -0.384 F(o=-1.8!,f=-0.38) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.789 K(o=-0.79,f=-3.7!) USER MOD Single : A 45 ASN : amide:sc= -2.11! C(o=-2.1!,f=-8.8!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -170:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= -0.012 USER MOD Single : A 61 LYS NZ :NH3+ -164:sc= -0.0714 (180deg=-0.35) USER MOD Single : A 62 THR OG1 : rot -161:sc= 0.87 USER MOD Single : A 73 SER OG : rot -144:sc= -0.0065 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HE2:sc= 0.54 K(o=0.54,f=-1.9!) USER MOD Single : A 84 SER OG : rot -90:sc= -1.29 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -1.68! K(o=-1.7!,f=-3.6) USER MOD Single : A 95 SER OG : rot -170:sc= -0.154 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 33 N CYS A 3 11.120 -3.684 -0.691 1.00 0.00 N ATOM 34 CA CYS A 3 10.050 -4.417 -0.041 1.00 0.00 C ATOM 35 C CYS A 3 9.506 -5.513 -0.967 1.00 0.00 C ATOM 36 O CYS A 3 9.790 -6.696 -0.772 1.00 0.00 O ATOM 37 CB CYS A 3 8.946 -3.444 0.358 1.00 0.00 C ATOM 38 SG CYS A 3 9.529 -1.996 1.305 1.00 0.00 S ATOM 0 HA CYS A 3 10.437 -4.904 0.854 1.00 0.00 H new ATOM 0 HB2 CYS A 3 8.442 -3.095 -0.543 1.00 0.00 H new ATOM 0 HB3 CYS A 3 8.204 -3.978 0.952 1.00 0.00 H new ATOM 42 N ASN A 4 8.735 -5.103 -1.981 1.00 0.00 N ATOM 43 CA ASN A 4 8.155 -6.020 -2.974 1.00 0.00 C ATOM 44 C ASN A 4 7.218 -7.062 -2.358 1.00 0.00 C ATOM 45 O ASN A 4 7.562 -8.241 -2.306 1.00 0.00 O ATOM 46 CB ASN A 4 9.251 -6.765 -3.755 1.00 0.00 C ATOM 47 CG ASN A 4 10.118 -5.865 -4.613 1.00 0.00 C ATOM 48 OD1 ASN A 4 9.792 -5.579 -5.765 1.00 0.00 O ATOM 49 ND2 ASN A 4 11.247 -5.442 -4.070 1.00 0.00 N ATOM 0 H ASN A 4 8.494 -4.124 -2.138 1.00 0.00 H new ATOM 0 HA ASN A 4 7.574 -5.384 -3.643 1.00 0.00 H new ATOM 0 HB2 ASN A 4 9.887 -7.299 -3.049 1.00 0.00 H new ATOM 0 HB3 ASN A 4 8.782 -7.515 -4.392 1.00 0.00 H new ATOM 0 HD21 ASN A 4 11.884 -4.856 -4.610 1.00 0.00 H new ATOM 0 HD22 ASN A 4 11.481 -5.701 -3.112 1.00 0.00 H new ATOM 55 N PHE A 5 6.037 -6.654 -1.895 1.00 0.00 N ATOM 56 CA PHE A 5 5.098 -7.625 -1.337 1.00 0.00 C ATOM 57 C PHE A 5 4.610 -8.577 -2.438 1.00 0.00 C ATOM 58 O PHE A 5 4.466 -9.778 -2.219 1.00 0.00 O ATOM 59 CB PHE A 5 3.906 -6.922 -0.666 1.00 0.00 C ATOM 60 CG PHE A 5 2.857 -6.407 -1.617 1.00 0.00 C ATOM 61 CD1 PHE A 5 3.135 -5.377 -2.501 1.00 0.00 C ATOM 62 CD2 PHE A 5 1.588 -6.963 -1.622 1.00 0.00 C ATOM 63 CE1 PHE A 5 2.168 -4.910 -3.369 1.00 0.00 C ATOM 64 CE2 PHE A 5 0.617 -6.501 -2.488 1.00 0.00 C ATOM 65 CZ PHE A 5 0.907 -5.472 -3.361 1.00 0.00 C ATOM 0 H PHE A 5 5.714 -5.686 -1.894 1.00 0.00 H new ATOM 0 HA PHE A 5 5.617 -8.203 -0.573 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.436 -7.618 0.028 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.281 -6.087 -0.075 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.120 -4.934 -2.511 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.355 -7.768 -0.940 1.00 0.00 H new ATOM 0 HE1 PHE A 5 2.398 -4.106 -4.053 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.368 -6.944 -2.482 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.148 -5.107 -4.037 1.00 0.00 H new ATOM 74 N ALA A 6 4.412 -8.027 -3.634 1.00 0.00 N ATOM 75 CA ALA A 6 3.935 -8.785 -4.788 1.00 0.00 C ATOM 76 C ALA A 6 4.949 -9.819 -5.256 1.00 0.00 C ATOM 77 O ALA A 6 4.590 -10.773 -5.945 1.00 0.00 O ATOM 78 CB ALA A 6 3.605 -7.841 -5.924 1.00 0.00 C ATOM 0 H ALA A 6 4.578 -7.040 -3.830 1.00 0.00 H new ATOM 0 HA ALA A 6 3.038 -9.321 -4.478 1.00 0.00 H new ATOM 0 HB1 ALA A 6 3.250 -8.413 -6.781 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.829 -7.146 -5.605 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.498 -7.283 -6.205 1.00 0.00 H new ATOM 84 N ASN A 7 6.207 -9.626 -4.872 1.00 0.00 N ATOM 85 CA ASN A 7 7.293 -10.524 -5.263 1.00 0.00 C ATOM 86 C ASN A 7 6.936 -11.972 -4.950 1.00 0.00 C ATOM 87 O ASN A 7 7.207 -12.877 -5.739 1.00 0.00 O ATOM 88 CB ASN A 7 8.571 -10.137 -4.511 1.00 0.00 C ATOM 89 CG ASN A 7 9.834 -10.766 -5.078 1.00 0.00 C ATOM 90 OD1 ASN A 7 9.808 -11.837 -5.683 1.00 0.00 O ATOM 91 ND2 ASN A 7 10.959 -10.097 -4.878 1.00 0.00 N ATOM 0 H ASN A 7 6.503 -8.847 -4.284 1.00 0.00 H new ATOM 0 HA ASN A 7 7.452 -10.431 -6.337 1.00 0.00 H new ATOM 0 HB2 ASN A 7 8.677 -9.052 -4.529 1.00 0.00 H new ATOM 0 HB3 ASN A 7 8.469 -10.430 -3.466 1.00 0.00 H new ATOM 0 HD21 ASN A 7 11.842 -10.467 -5.230 1.00 0.00 H new ATOM 0 HD22 ASN A 7 10.943 -9.212 -4.372 1.00 0.00 H new ATOM 97 N SER A 8 6.291 -12.182 -3.816 1.00 0.00 N ATOM 98 CA SER A 8 5.908 -13.522 -3.410 1.00 0.00 C ATOM 99 C SER A 8 4.448 -13.565 -2.967 1.00 0.00 C ATOM 100 O SER A 8 4.068 -14.398 -2.149 1.00 0.00 O ATOM 101 CB SER A 8 6.817 -14.007 -2.276 1.00 0.00 C ATOM 102 OG SER A 8 8.187 -13.897 -2.629 1.00 0.00 O ATOM 0 H SER A 8 6.023 -11.446 -3.163 1.00 0.00 H new ATOM 0 HA SER A 8 6.022 -14.184 -4.269 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.623 -13.422 -1.377 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.583 -15.045 -2.038 1.00 0.00 H new ATOM 0 HG SER A 8 8.743 -14.212 -1.886 1.00 0.00 H new ATOM 107 N CYS A 9 3.628 -12.671 -3.504 1.00 0.00 N ATOM 108 CA CYS A 9 2.215 -12.645 -3.141 1.00 0.00 C ATOM 109 C CYS A 9 1.336 -12.902 -4.352 1.00 0.00 C ATOM 110 O CYS A 9 1.611 -12.417 -5.450 1.00 0.00 O ATOM 111 CB CYS A 9 1.826 -11.314 -2.497 1.00 0.00 C ATOM 112 SG CYS A 9 1.077 -11.490 -0.842 1.00 0.00 S ATOM 0 H CYS A 9 3.910 -11.964 -4.183 1.00 0.00 H new ATOM 0 HA CYS A 9 2.058 -13.441 -2.413 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.713 -10.685 -2.420 1.00 0.00 H new ATOM 0 HB3 CYS A 9 1.124 -10.796 -3.150 1.00 0.00 H new ATOM 116 N THR A 10 0.281 -13.676 -4.143 1.00 0.00 N ATOM 117 CA THR A 10 -0.654 -14.006 -5.205 1.00 0.00 C ATOM 118 C THR A 10 -2.090 -13.915 -4.704 1.00 0.00 C ATOM 119 O THR A 10 -2.346 -14.092 -3.510 1.00 0.00 O ATOM 120 CB THR A 10 -0.399 -15.426 -5.755 1.00 0.00 C ATOM 121 OG1 THR A 10 -0.265 -16.361 -4.673 1.00 0.00 O ATOM 122 CG2 THR A 10 0.852 -15.457 -6.613 1.00 0.00 C ATOM 0 H THR A 10 0.051 -14.089 -3.239 1.00 0.00 H new ATOM 0 HA THR A 10 -0.501 -13.284 -6.007 1.00 0.00 H new ATOM 0 HB THR A 10 -1.252 -15.708 -6.372 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.105 -17.258 -5.034 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.010 -16.468 -6.989 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.734 -14.772 -7.453 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.711 -15.154 -6.015 1.00 0.00 H new ATOM 130 N GLY A 11 -3.010 -13.626 -5.616 1.00 0.00 N ATOM 131 CA GLY A 11 -4.418 -13.526 -5.264 1.00 0.00 C ATOM 132 C GLY A 11 -4.702 -12.393 -4.302 1.00 0.00 C ATOM 133 O GLY A 11 -5.248 -12.609 -3.220 1.00 0.00 O ATOM 0 H GLY A 11 -2.806 -13.458 -6.601 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.005 -13.383 -6.171 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.744 -14.466 -4.818 1.00 0.00 H new ATOM 137 N VAL A 12 -4.339 -11.184 -4.693 1.00 0.00 N ATOM 138 CA VAL A 12 -4.545 -10.019 -3.845 1.00 0.00 C ATOM 139 C VAL A 12 -5.768 -9.211 -4.276 1.00 0.00 C ATOM 140 O VAL A 12 -5.967 -8.940 -5.467 1.00 0.00 O ATOM 141 CB VAL A 12 -3.302 -9.105 -3.827 1.00 0.00 C ATOM 142 CG1 VAL A 12 -2.157 -9.773 -3.081 1.00 0.00 C ATOM 143 CG2 VAL A 12 -2.876 -8.751 -5.243 1.00 0.00 C ATOM 0 H VAL A 12 -3.900 -10.982 -5.591 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.718 -10.398 -2.838 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.564 -8.184 -3.305 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.290 -9.113 -3.079 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.461 -9.976 -2.054 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.899 -10.710 -3.574 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.998 -8.106 -5.208 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.635 -9.663 -5.789 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.689 -8.230 -5.748 1.00 0.00 H new ATOM 153 N GLU A 13 -6.586 -8.833 -3.301 1.00 0.00 N ATOM 154 CA GLU A 13 -7.791 -8.051 -3.558 1.00 0.00 C ATOM 155 C GLU A 13 -7.817 -6.813 -2.668 1.00 0.00 C ATOM 156 O GLU A 13 -7.231 -6.814 -1.581 1.00 0.00 O ATOM 157 CB GLU A 13 -9.042 -8.895 -3.315 1.00 0.00 C ATOM 158 CG GLU A 13 -9.166 -10.085 -4.254 1.00 0.00 C ATOM 159 CD GLU A 13 -10.426 -10.885 -4.012 1.00 0.00 C ATOM 160 OE1 GLU A 13 -11.471 -10.565 -4.625 1.00 0.00 O ATOM 161 OE2 GLU A 13 -10.382 -11.834 -3.201 1.00 0.00 O ATOM 0 H GLU A 13 -6.435 -9.057 -2.317 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.780 -7.737 -4.602 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.033 -9.254 -2.286 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.923 -8.263 -3.425 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.156 -9.732 -5.285 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.299 -10.733 -4.130 1.00 0.00 H new ATOM 166 N LEU A 14 -8.493 -5.766 -3.128 1.00 0.00 N ATOM 167 CA LEU A 14 -8.581 -4.524 -2.373 1.00 0.00 C ATOM 168 C LEU A 14 -10.020 -4.057 -2.210 1.00 0.00 C ATOM 169 O LEU A 14 -10.721 -3.809 -3.192 1.00 0.00 O ATOM 170 CB LEU A 14 -7.764 -3.429 -3.065 1.00 0.00 C ATOM 171 CG LEU A 14 -7.882 -2.022 -2.461 1.00 0.00 C ATOM 172 CD1 LEU A 14 -7.609 -2.037 -0.967 1.00 0.00 C ATOM 173 CD2 LEU A 14 -6.921 -1.087 -3.149 1.00 0.00 C ATOM 0 H LEU A 14 -8.988 -5.754 -4.020 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.176 -4.718 -1.380 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.714 -3.722 -3.052 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.068 -3.381 -4.111 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.903 -1.673 -2.614 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.701 -1.026 -0.570 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.330 -2.688 -0.472 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.600 -2.408 -0.785 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.010 -0.091 -2.716 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.902 -1.451 -3.017 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.155 -1.042 -4.213 1.00 0.00 H new ATOM 184 N TYR A 15 -10.450 -3.933 -0.963 1.00 0.00 N ATOM 185 CA TYR A 15 -11.791 -3.461 -0.665 1.00 0.00 C ATOM 186 C TYR A 15 -11.726 -2.286 0.305 1.00 0.00 C ATOM 187 O TYR A 15 -11.378 -2.451 1.474 1.00 0.00 O ATOM 188 CB TYR A 15 -12.660 -4.584 -0.088 1.00 0.00 C ATOM 189 CG TYR A 15 -14.080 -4.148 0.196 1.00 0.00 C ATOM 190 CD1 TYR A 15 -14.950 -3.835 -0.841 1.00 0.00 C ATOM 191 CD2 TYR A 15 -14.548 -4.043 1.498 1.00 0.00 C ATOM 192 CE1 TYR A 15 -16.244 -3.424 -0.589 1.00 0.00 C ATOM 193 CE2 TYR A 15 -15.842 -3.637 1.759 1.00 0.00 C ATOM 194 CZ TYR A 15 -16.686 -3.328 0.713 1.00 0.00 C ATOM 195 OH TYR A 15 -17.976 -2.912 0.972 1.00 0.00 O ATOM 0 H TYR A 15 -9.888 -4.153 -0.141 1.00 0.00 H new ATOM 0 HA TYR A 15 -12.251 -3.130 -1.596 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -12.676 -5.419 -0.788 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -12.207 -4.949 0.834 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -14.608 -3.915 -1.862 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -13.890 -4.283 2.320 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -16.905 -3.179 -1.407 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -16.192 -3.562 2.778 1.00 0.00 H new ATOM 0 HH TYR A 15 -18.128 -2.900 1.940 1.00 0.00 H new ATOM 204 N GLY A 16 -12.019 -1.096 -0.193 1.00 0.00 N ATOM 205 CA GLY A 16 -11.994 0.088 0.645 1.00 0.00 C ATOM 206 C GLY A 16 -10.586 0.595 0.882 1.00 0.00 C ATOM 207 O GLY A 16 -10.182 1.607 0.318 1.00 0.00 O ATOM 0 H GLY A 16 -12.275 -0.926 -1.166 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.587 0.874 0.177 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.463 -0.138 1.603 1.00 0.00 H new ATOM 211 N TYR A 17 -9.838 -0.120 1.709 1.00 0.00 N ATOM 212 CA TYR A 17 -8.462 0.248 2.034 1.00 0.00 C ATOM 213 C TYR A 17 -7.710 -0.918 2.674 1.00 0.00 C ATOM 214 O TYR A 17 -6.721 -0.718 3.389 1.00 0.00 O ATOM 215 CB TYR A 17 -8.415 1.480 2.952 1.00 0.00 C ATOM 216 CG TYR A 17 -9.396 1.453 4.110 1.00 0.00 C ATOM 217 CD1 TYR A 17 -9.121 0.746 5.274 1.00 0.00 C ATOM 218 CD2 TYR A 17 -10.592 2.157 4.039 1.00 0.00 C ATOM 219 CE1 TYR A 17 -10.012 0.736 6.331 1.00 0.00 C ATOM 220 CE2 TYR A 17 -11.488 2.150 5.089 1.00 0.00 C ATOM 221 CZ TYR A 17 -11.194 1.442 6.233 1.00 0.00 C ATOM 222 OH TYR A 17 -12.086 1.436 7.281 1.00 0.00 O ATOM 0 H TYR A 17 -10.163 -0.968 2.173 1.00 0.00 H new ATOM 0 HA TYR A 17 -7.967 0.500 1.096 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -7.406 1.578 3.352 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -8.608 2.369 2.352 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -8.196 0.195 5.354 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.825 2.719 3.147 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -9.785 0.179 7.228 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -12.416 2.698 5.014 1.00 0.00 H new ATOM 0 HH TYR A 17 -12.866 1.983 7.050 1.00 0.00 H new ATOM 231 N ILE A 18 -8.177 -2.134 2.410 1.00 0.00 N ATOM 232 CA ILE A 18 -7.543 -3.334 2.946 1.00 0.00 C ATOM 233 C ILE A 18 -7.094 -4.258 1.816 1.00 0.00 C ATOM 234 O ILE A 18 -7.872 -4.590 0.922 1.00 0.00 O ATOM 235 CB ILE A 18 -8.473 -4.112 3.908 1.00 0.00 C ATOM 236 CG1 ILE A 18 -9.821 -4.410 3.243 1.00 0.00 C ATOM 237 CG2 ILE A 18 -8.670 -3.330 5.200 1.00 0.00 C ATOM 238 CD1 ILE A 18 -10.763 -5.228 4.102 1.00 0.00 C ATOM 0 H ILE A 18 -8.994 -2.315 1.827 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.675 -3.000 3.515 1.00 0.00 H new ATOM 0 HB ILE A 18 -8.000 -5.064 4.148 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -10.305 -3.467 2.987 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -9.644 -4.942 2.308 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -9.326 -3.889 5.867 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.705 -3.178 5.684 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -9.120 -2.363 4.975 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -11.694 -5.397 3.562 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.301 -6.187 4.337 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.972 -4.690 5.027 1.00 0.00 H new ATOM 249 N LEU A 19 -5.829 -4.652 1.858 1.00 0.00 N ATOM 250 CA LEU A 19 -5.258 -5.524 0.841 1.00 0.00 C ATOM 251 C LEU A 19 -4.998 -6.901 1.419 1.00 0.00 C ATOM 252 O LEU A 19 -4.160 -7.052 2.294 1.00 0.00 O ATOM 253 CB LEU A 19 -3.926 -4.952 0.343 1.00 0.00 C ATOM 254 CG LEU A 19 -3.722 -4.973 -1.169 1.00 0.00 C ATOM 255 CD1 LEU A 19 -3.790 -6.391 -1.710 1.00 0.00 C ATOM 256 CD2 LEU A 19 -4.750 -4.089 -1.838 1.00 0.00 C ATOM 0 H LEU A 19 -5.174 -4.379 2.591 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.967 -5.593 0.016 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.842 -3.922 0.688 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.115 -5.511 0.809 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.728 -4.585 -1.392 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.641 -6.376 -2.790 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.011 -6.996 -1.245 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.766 -6.820 -1.484 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.599 -4.108 -2.917 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.750 -4.454 -1.605 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.643 -3.067 -1.475 1.00 0.00 H new ATOM 267 N ARG A 20 -5.693 -7.906 0.939 1.00 0.00 N ATOM 268 CA ARG A 20 -5.466 -9.246 1.443 1.00 0.00 C ATOM 269 C ARG A 20 -5.003 -10.149 0.322 1.00 0.00 C ATOM 270 O ARG A 20 -5.499 -10.064 -0.802 1.00 0.00 O ATOM 271 CB ARG A 20 -6.719 -9.829 2.086 1.00 0.00 C ATOM 272 CG ARG A 20 -6.448 -11.136 2.814 1.00 0.00 C ATOM 273 CD ARG A 20 -7.379 -12.245 2.348 1.00 0.00 C ATOM 274 NE ARG A 20 -6.664 -13.331 1.673 1.00 0.00 N ATOM 275 CZ ARG A 20 -6.584 -14.578 2.148 1.00 0.00 C ATOM 276 NH1 ARG A 20 -7.113 -14.883 3.328 1.00 0.00 N ATOM 277 NH2 ARG A 20 -5.963 -15.518 1.443 1.00 0.00 N ATOM 0 H ARG A 20 -6.407 -7.828 0.215 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.694 -9.183 2.209 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.133 -9.105 2.788 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.474 -9.995 1.317 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.413 -11.436 2.649 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.569 -10.986 3.887 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.918 -12.647 3.206 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.124 -11.829 1.670 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.200 -13.123 0.789 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.584 -14.164 3.877 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.049 -15.836 3.685 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.548 -15.288 0.540 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.901 -16.470 1.805 1.00 0.00 H new ATOM 288 N GLY A 21 -4.049 -11.004 0.630 1.00 0.00 N ATOM 289 CA GLY A 21 -3.544 -11.917 -0.358 1.00 0.00 C ATOM 290 C GLY A 21 -2.721 -13.020 0.256 1.00 0.00 C ATOM 291 O GLY A 21 -2.614 -13.119 1.482 1.00 0.00 O ATOM 0 H GLY A 21 -3.615 -11.081 1.550 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.378 -12.352 -0.909 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.936 -11.370 -1.079 1.00 0.00 H new ATOM 295 N ASP A 22 -2.143 -13.846 -0.593 1.00 0.00 N ATOM 296 CA ASP A 22 -1.329 -14.959 -0.145 1.00 0.00 C ATOM 297 C ASP A 22 0.142 -14.690 -0.420 1.00 0.00 C ATOM 298 O ASP A 22 0.582 -14.730 -1.570 1.00 0.00 O ATOM 299 CB ASP A 22 -1.762 -16.249 -0.849 1.00 0.00 C ATOM 300 CG ASP A 22 -3.116 -16.756 -0.385 1.00 0.00 C ATOM 301 OD1 ASP A 22 -4.147 -16.210 -0.831 1.00 0.00 O ATOM 302 OD2 ASP A 22 -3.153 -17.726 0.406 1.00 0.00 O ATOM 0 H ASP A 22 -2.223 -13.766 -1.607 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.469 -15.075 0.930 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.795 -16.075 -1.925 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.012 -17.021 -0.674 1.00 0.00 H new ATOM 306 N CYS A 23 0.900 -14.429 0.635 1.00 0.00 N ATOM 307 CA CYS A 23 2.326 -14.168 0.503 1.00 0.00 C ATOM 308 C CYS A 23 3.107 -15.382 0.990 1.00 0.00 C ATOM 309 O CYS A 23 2.862 -15.893 2.077 1.00 0.00 O ATOM 310 CB CYS A 23 2.728 -12.932 1.317 1.00 0.00 C ATOM 311 SG CYS A 23 2.655 -11.336 0.422 1.00 0.00 S ATOM 0 H CYS A 23 0.551 -14.392 1.593 1.00 0.00 H new ATOM 0 HA CYS A 23 2.554 -13.978 -0.546 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.079 -12.868 2.191 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.744 -13.076 1.684 1.00 0.00 H new ATOM 315 N ILE A 24 4.065 -15.820 0.192 1.00 0.00 N ATOM 316 CA ILE A 24 4.870 -16.994 0.511 1.00 0.00 C ATOM 317 C ILE A 24 5.812 -16.737 1.686 1.00 0.00 C ATOM 318 O ILE A 24 6.378 -15.654 1.818 1.00 0.00 O ATOM 319 CB ILE A 24 5.678 -17.446 -0.725 1.00 0.00 C ATOM 320 CG1 ILE A 24 4.724 -17.702 -1.897 1.00 0.00 C ATOM 321 CG2 ILE A 24 6.496 -18.690 -0.419 1.00 0.00 C ATOM 322 CD1 ILE A 24 5.411 -18.156 -3.167 1.00 0.00 C ATOM 0 H ILE A 24 4.309 -15.376 -0.693 1.00 0.00 H new ATOM 0 HA ILE A 24 4.183 -17.789 0.803 1.00 0.00 H new ATOM 0 HB ILE A 24 6.374 -16.652 -0.997 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.996 -18.458 -1.601 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.168 -16.788 -2.105 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.055 -18.986 -1.307 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.191 -18.478 0.393 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.829 -19.500 -0.123 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.666 -18.315 -3.947 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.118 -17.392 -3.491 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.944 -19.088 -2.979 1.00 0.00 H new ATOM 333 N ASN A 25 5.957 -17.741 2.544 1.00 0.00 N ATOM 334 CA ASN A 25 6.827 -17.637 3.705 1.00 0.00 C ATOM 335 C ASN A 25 8.075 -18.491 3.510 1.00 0.00 C ATOM 336 O ASN A 25 8.284 -19.041 2.430 1.00 0.00 O ATOM 337 CB ASN A 25 6.078 -18.069 4.976 1.00 0.00 C ATOM 338 CG ASN A 25 5.973 -19.575 5.130 1.00 0.00 C ATOM 339 OD1 ASN A 25 6.787 -20.200 5.807 1.00 0.00 O ATOM 340 ND2 ASN A 25 4.984 -20.170 4.496 1.00 0.00 N ATOM 0 H ASN A 25 5.480 -18.638 2.455 1.00 0.00 H new ATOM 0 HA ASN A 25 7.131 -16.596 3.818 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.587 -17.657 5.847 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.075 -17.642 4.961 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.874 -21.182 4.558 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.327 -19.619 3.943 1.00 0.00 H new ATOM 346 N GLU A 26 8.884 -18.603 4.558 1.00 0.00 N ATOM 347 CA GLU A 26 10.121 -19.383 4.527 1.00 0.00 C ATOM 348 C GLU A 26 9.901 -20.793 3.970 1.00 0.00 C ATOM 349 O GLU A 26 10.697 -21.291 3.172 1.00 0.00 O ATOM 350 CB GLU A 26 10.679 -19.487 5.945 1.00 0.00 C ATOM 351 CG GLU A 26 11.987 -20.249 6.035 1.00 0.00 C ATOM 352 CD GLU A 26 13.142 -19.486 5.421 1.00 0.00 C ATOM 353 OE1 GLU A 26 13.253 -19.458 4.180 1.00 0.00 O ATOM 354 OE2 GLU A 26 13.943 -18.904 6.179 1.00 0.00 O ATOM 0 H GLU A 26 8.702 -18.155 5.456 1.00 0.00 H new ATOM 0 HA GLU A 26 10.823 -18.871 3.868 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.827 -18.483 6.342 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.941 -19.975 6.581 1.00 0.00 H new ATOM 0 HG2 GLU A 26 12.210 -20.461 7.081 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.880 -21.209 5.531 1.00 0.00 H new ATOM 359 N ASP A 27 8.803 -21.409 4.385 1.00 0.00 N ATOM 360 CA ASP A 27 8.453 -22.768 3.977 1.00 0.00 C ATOM 361 C ASP A 27 8.291 -22.898 2.465 1.00 0.00 C ATOM 362 O ASP A 27 8.427 -23.988 1.912 1.00 0.00 O ATOM 363 CB ASP A 27 7.163 -23.201 4.671 1.00 0.00 C ATOM 364 CG ASP A 27 6.879 -24.683 4.509 1.00 0.00 C ATOM 365 OD1 ASP A 27 7.569 -25.497 5.161 1.00 0.00 O ATOM 366 OD2 ASP A 27 5.961 -25.040 3.746 1.00 0.00 O ATOM 0 H ASP A 27 8.126 -20.981 5.016 1.00 0.00 H new ATOM 0 HA ASP A 27 9.276 -23.418 4.275 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.229 -22.962 5.732 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.328 -22.629 4.266 1.00 0.00 H new ATOM 370 N GLY A 28 8.014 -21.789 1.796 1.00 0.00 N ATOM 371 CA GLY A 28 7.831 -21.824 0.359 1.00 0.00 C ATOM 372 C GLY A 28 6.368 -21.931 -0.007 1.00 0.00 C ATOM 373 O GLY A 28 6.010 -22.062 -1.178 1.00 0.00 O ATOM 0 H GLY A 28 7.913 -20.867 2.221 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.254 -20.923 -0.085 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.375 -22.671 -0.058 1.00 0.00 H new ATOM 377 N HIS A 29 5.522 -21.869 1.007 1.00 0.00 N ATOM 378 CA HIS A 29 4.084 -21.952 0.816 1.00 0.00 C ATOM 379 C HIS A 29 3.430 -20.603 1.083 1.00 0.00 C ATOM 380 O HIS A 29 3.886 -19.837 1.938 1.00 0.00 O ATOM 381 CB HIS A 29 3.482 -23.014 1.737 1.00 0.00 C ATOM 382 CG HIS A 29 3.652 -24.416 1.240 1.00 0.00 C ATOM 383 ND1 HIS A 29 2.599 -25.296 1.109 1.00 0.00 N ATOM 384 CD2 HIS A 29 4.756 -25.092 0.845 1.00 0.00 C ATOM 385 CE1 HIS A 29 3.050 -26.451 0.654 1.00 0.00 C ATOM 386 NE2 HIS A 29 4.354 -26.352 0.487 1.00 0.00 N ATOM 0 H HIS A 29 5.810 -21.760 1.980 1.00 0.00 H new ATOM 0 HA HIS A 29 3.894 -22.235 -0.219 1.00 0.00 H new ATOM 0 HB2 HIS A 29 3.942 -22.930 2.722 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.419 -22.810 1.864 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.766 -24.710 0.817 1.00 0.00 H new ATOM 0 HE1 HIS A 29 2.452 -27.328 0.453 1.00 0.00 H new ATOM 0 HE2 HIS A 29 4.965 -27.094 0.146 1.00 0.00 H new ATOM 394 N PRO A 30 2.366 -20.287 0.333 1.00 0.00 N ATOM 395 CA PRO A 30 1.632 -19.029 0.481 1.00 0.00 C ATOM 396 C PRO A 30 0.904 -18.930 1.822 1.00 0.00 C ATOM 397 O PRO A 30 0.198 -19.852 2.239 1.00 0.00 O ATOM 398 CB PRO A 30 0.637 -19.052 -0.680 1.00 0.00 C ATOM 399 CG PRO A 30 0.475 -20.492 -1.020 1.00 0.00 C ATOM 400 CD PRO A 30 1.803 -21.132 -0.737 1.00 0.00 C ATOM 0 HA PRO A 30 2.298 -18.167 0.463 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.315 -18.605 -0.393 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.012 -18.485 -1.532 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.314 -20.948 -0.422 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.196 -20.618 -2.066 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.690 -22.167 -0.415 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.442 -21.141 -1.620 1.00 0.00 H new ATOM 405 N HIS A 31 1.084 -17.801 2.480 1.00 0.00 N ATOM 406 CA HIS A 31 0.483 -17.531 3.773 1.00 0.00 C ATOM 407 C HIS A 31 -0.501 -16.376 3.645 1.00 0.00 C ATOM 408 O HIS A 31 -0.172 -15.338 3.072 1.00 0.00 O ATOM 409 CB HIS A 31 1.589 -17.186 4.783 1.00 0.00 C ATOM 410 CG HIS A 31 1.124 -17.011 6.197 1.00 0.00 C ATOM 411 ND1 HIS A 31 1.339 -17.956 7.174 1.00 0.00 N ATOM 412 CD2 HIS A 31 0.490 -15.982 6.807 1.00 0.00 C ATOM 413 CE1 HIS A 31 0.859 -17.517 8.321 1.00 0.00 C ATOM 414 NE2 HIS A 31 0.338 -16.320 8.126 1.00 0.00 N ATOM 0 H HIS A 31 1.659 -17.036 2.128 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.055 -18.411 4.124 1.00 0.00 H new ATOM 0 HB2 HIS A 31 2.341 -17.975 4.759 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.080 -16.267 4.462 1.00 0.00 H new ATOM 0 HD2 HIS A 31 0.164 -15.064 6.340 1.00 0.00 H new ATOM 0 HE1 HIS A 31 0.887 -18.047 9.261 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -0.105 -15.742 8.840 1.00 0.00 H new ATOM 422 N ALA A 32 -1.704 -16.569 4.164 1.00 0.00 N ATOM 423 CA ALA A 32 -2.739 -15.545 4.110 1.00 0.00 C ATOM 424 C ALA A 32 -2.351 -14.341 4.960 1.00 0.00 C ATOM 425 O ALA A 32 -2.145 -14.460 6.169 1.00 0.00 O ATOM 426 CB ALA A 32 -4.069 -16.114 4.575 1.00 0.00 C ATOM 0 H ALA A 32 -1.990 -17.430 4.630 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.842 -15.215 3.076 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.833 -15.338 4.529 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.356 -16.944 3.929 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.974 -16.469 5.601 1.00 0.00 H new ATOM 432 N THR A 33 -2.251 -13.187 4.323 1.00 0.00 N ATOM 433 CA THR A 33 -1.877 -11.964 5.010 1.00 0.00 C ATOM 434 C THR A 33 -2.687 -10.786 4.477 1.00 0.00 C ATOM 435 O THR A 33 -3.233 -10.845 3.372 1.00 0.00 O ATOM 436 CB THR A 33 -0.364 -11.688 4.853 1.00 0.00 C ATOM 437 OG1 THR A 33 0.003 -10.501 5.558 1.00 0.00 O ATOM 438 CG2 THR A 33 0.015 -11.547 3.389 1.00 0.00 C ATOM 0 H THR A 33 -2.425 -13.072 3.325 1.00 0.00 H new ATOM 0 HA THR A 33 -2.095 -12.088 6.071 1.00 0.00 H new ATOM 0 HB THR A 33 0.174 -12.537 5.273 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.018 -10.674 6.522 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.085 -11.353 3.307 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.229 -12.468 2.860 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.539 -10.718 2.948 1.00 0.00 H new ATOM 446 N SER A 34 -2.766 -9.725 5.263 1.00 0.00 N ATOM 447 CA SER A 34 -3.521 -8.546 4.878 1.00 0.00 C ATOM 448 C SER A 34 -2.790 -7.276 5.278 1.00 0.00 C ATOM 449 O SER A 34 -2.092 -7.243 6.289 1.00 0.00 O ATOM 450 CB SER A 34 -4.898 -8.575 5.527 1.00 0.00 C ATOM 451 OG SER A 34 -4.795 -8.736 6.931 1.00 0.00 O ATOM 0 H SER A 34 -2.314 -9.657 6.175 1.00 0.00 H new ATOM 0 HA SER A 34 -3.631 -8.552 3.794 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.430 -7.651 5.302 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.485 -9.391 5.106 1.00 0.00 H new ATOM 0 HG SER A 34 -5.692 -8.750 7.325 1.00 0.00 H new ATOM 456 N ILE A 35 -2.964 -6.233 4.488 1.00 0.00 N ATOM 457 CA ILE A 35 -2.324 -4.965 4.753 1.00 0.00 C ATOM 458 C ILE A 35 -3.356 -3.844 4.774 1.00 0.00 C ATOM 459 O ILE A 35 -4.352 -3.892 4.052 1.00 0.00 O ATOM 460 CB ILE A 35 -1.244 -4.622 3.696 1.00 0.00 C ATOM 461 CG1 ILE A 35 -0.319 -5.810 3.448 1.00 0.00 C ATOM 462 CG2 ILE A 35 -0.427 -3.414 4.129 1.00 0.00 C ATOM 463 CD1 ILE A 35 -0.707 -6.648 2.246 1.00 0.00 C ATOM 0 H ILE A 35 -3.549 -6.243 3.652 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.841 -5.056 5.726 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.760 -4.384 2.766 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.698 -5.444 3.310 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.312 -6.444 4.334 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.325 -3.192 3.371 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.085 -2.554 4.250 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.066 -3.629 5.077 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.003 -7.473 2.135 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.712 -7.045 2.389 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.686 -6.029 1.349 1.00 0.00 H new ATOM 474 N ASN A 36 -3.112 -2.840 5.594 1.00 0.00 N ATOM 475 CA ASN A 36 -4.015 -1.706 5.703 1.00 0.00 C ATOM 476 C ASN A 36 -3.405 -0.496 5.000 1.00 0.00 C ATOM 477 O ASN A 36 -2.764 0.337 5.636 1.00 0.00 O ATOM 478 CB ASN A 36 -4.271 -1.385 7.178 1.00 0.00 C ATOM 479 CG ASN A 36 -5.727 -1.068 7.476 1.00 0.00 C ATOM 480 OD1 ASN A 36 -6.455 -0.566 6.490 1.00 0.00 O flip ATOM 481 ND2 ASN A 36 -6.200 -1.293 8.589 1.00 0.00 N flip ATOM 0 H ASN A 36 -2.292 -2.785 6.198 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.964 -1.953 5.227 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -3.958 -2.233 7.788 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.653 -0.536 7.471 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.610 -1.680 9.325 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -7.183 -1.092 8.776 1.00 0.00 H new ATOM 487 N LEU A 37 -3.632 -0.400 3.686 1.00 0.00 N ATOM 488 CA LEU A 37 -3.081 0.689 2.863 1.00 0.00 C ATOM 489 C LEU A 37 -3.449 2.053 3.429 1.00 0.00 C ATOM 490 O LEU A 37 -2.753 3.042 3.204 1.00 0.00 O ATOM 491 CB LEU A 37 -3.592 0.620 1.415 1.00 0.00 C ATOM 492 CG LEU A 37 -3.401 -0.702 0.664 1.00 0.00 C ATOM 493 CD1 LEU A 37 -2.061 -1.339 0.997 1.00 0.00 C ATOM 494 CD2 LEU A 37 -4.551 -1.652 0.956 1.00 0.00 C ATOM 0 H LEU A 37 -4.198 -1.068 3.163 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.999 0.562 2.876 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.657 0.853 1.422 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.097 1.406 0.845 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.401 -0.487 -0.405 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.957 -2.275 0.448 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.256 -0.661 0.715 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.009 -1.538 2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.398 -2.585 0.414 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.592 -1.856 2.026 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.489 -1.197 0.637 1.00 0.00 H new ATOM 505 N ASN A 38 -4.549 2.087 4.165 1.00 0.00 N ATOM 506 CA ASN A 38 -5.056 3.313 4.770 1.00 0.00 C ATOM 507 C ASN A 38 -3.998 4.028 5.612 1.00 0.00 C ATOM 508 O ASN A 38 -4.070 5.236 5.794 1.00 0.00 O ATOM 509 CB ASN A 38 -6.276 2.986 5.636 1.00 0.00 C ATOM 510 CG ASN A 38 -6.985 4.217 6.170 1.00 0.00 C ATOM 511 OD1 ASN A 38 -6.636 4.742 7.225 1.00 0.00 O ATOM 512 ND2 ASN A 38 -8.002 4.668 5.452 1.00 0.00 N ATOM 0 H ASN A 38 -5.118 1.264 4.361 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.336 3.989 3.962 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.981 2.396 5.050 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.961 2.365 6.475 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.529 5.481 5.769 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.258 4.202 4.582 1.00 0.00 H new ATOM 518 N TYR A 39 -3.010 3.295 6.111 1.00 0.00 N ATOM 519 CA TYR A 39 -1.979 3.902 6.951 1.00 0.00 C ATOM 520 C TYR A 39 -0.603 3.889 6.289 1.00 0.00 C ATOM 521 O TYR A 39 0.401 4.174 6.940 1.00 0.00 O ATOM 522 CB TYR A 39 -1.912 3.178 8.297 1.00 0.00 C ATOM 523 CG TYR A 39 -3.244 3.111 9.005 1.00 0.00 C ATOM 524 CD1 TYR A 39 -3.729 4.197 9.722 1.00 0.00 C ATOM 525 CD2 TYR A 39 -4.023 1.964 8.944 1.00 0.00 C ATOM 526 CE1 TYR A 39 -4.952 4.140 10.359 1.00 0.00 C ATOM 527 CE2 TYR A 39 -5.249 1.901 9.577 1.00 0.00 C ATOM 528 CZ TYR A 39 -5.708 2.989 10.283 1.00 0.00 C ATOM 529 OH TYR A 39 -6.929 2.927 10.913 1.00 0.00 O ATOM 0 H TYR A 39 -2.899 2.293 5.953 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.258 4.945 7.100 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.541 2.165 8.139 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.192 3.685 8.939 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.140 5.100 9.782 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.665 1.107 8.393 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.315 4.992 10.914 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.844 1.002 9.518 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.332 2.047 10.759 1.00 0.00 H new ATOM 538 N TYR A 40 -0.549 3.547 5.007 1.00 0.00 N ATOM 539 CA TYR A 40 0.730 3.514 4.291 1.00 0.00 C ATOM 540 C TYR A 40 0.673 4.341 3.025 1.00 0.00 C ATOM 541 O TYR A 40 1.687 4.560 2.370 1.00 0.00 O ATOM 542 CB TYR A 40 1.133 2.071 3.983 1.00 0.00 C ATOM 543 CG TYR A 40 1.064 1.186 5.202 1.00 0.00 C ATOM 544 CD1 TYR A 40 1.837 1.462 6.320 1.00 0.00 C ATOM 545 CD2 TYR A 40 0.204 0.099 5.248 1.00 0.00 C ATOM 546 CE1 TYR A 40 1.757 0.681 7.452 1.00 0.00 C ATOM 547 CE2 TYR A 40 0.111 -0.687 6.379 1.00 0.00 C ATOM 548 CZ TYR A 40 0.890 -0.393 7.479 1.00 0.00 C ATOM 549 OH TYR A 40 0.803 -1.174 8.606 1.00 0.00 O ATOM 0 H TYR A 40 -1.361 3.291 4.445 1.00 0.00 H new ATOM 0 HA TYR A 40 1.490 3.954 4.937 1.00 0.00 H new ATOM 0 HB2 TYR A 40 0.479 1.671 3.208 1.00 0.00 H new ATOM 0 HB3 TYR A 40 2.147 2.057 3.583 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.513 2.304 6.303 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.402 -0.136 4.386 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.369 0.907 8.313 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.567 -1.527 6.403 1.00 0.00 H new ATOM 0 HH TYR A 40 0.146 -1.886 8.460 1.00 0.00 H new ATOM 558 N ILE A 41 -0.512 4.800 2.685 1.00 0.00 N ATOM 559 CA ILE A 41 -0.690 5.634 1.525 1.00 0.00 C ATOM 560 C ILE A 41 -1.429 6.893 1.932 1.00 0.00 C ATOM 561 O ILE A 41 -2.401 6.838 2.688 1.00 0.00 O ATOM 562 CB ILE A 41 -1.463 4.939 0.382 1.00 0.00 C ATOM 563 CG1 ILE A 41 -0.606 3.884 -0.319 1.00 0.00 C ATOM 564 CG2 ILE A 41 -1.945 5.972 -0.623 1.00 0.00 C ATOM 565 CD1 ILE A 41 -0.502 2.579 0.431 1.00 0.00 C ATOM 0 H ILE A 41 -1.370 4.606 3.202 1.00 0.00 H new ATOM 0 HA ILE A 41 0.304 5.862 1.140 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.322 4.431 0.821 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.023 3.691 -1.307 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.396 4.286 -0.469 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.489 5.473 -1.425 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.604 6.684 -0.126 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.088 6.501 -1.040 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.122 1.885 -0.132 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.056 2.756 1.410 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.497 2.152 0.558 1.00 0.00 H new ATOM 576 N GLY A 42 -0.943 8.020 1.463 1.00 0.00 N ATOM 577 CA GLY A 42 -1.576 9.278 1.775 1.00 0.00 C ATOM 578 C GLY A 42 -2.094 9.943 0.531 1.00 0.00 C ATOM 579 O GLY A 42 -1.984 9.385 -0.561 1.00 0.00 O ATOM 0 H GLY A 42 -0.117 8.090 0.868 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.397 9.113 2.472 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.862 9.935 2.273 1.00 0.00 H new ATOM 583 N ASN A 43 -2.647 11.127 0.675 1.00 0.00 N ATOM 584 CA ASN A 43 -3.171 11.837 -0.474 1.00 0.00 C ATOM 585 C ASN A 43 -2.608 13.253 -0.541 1.00 0.00 C ATOM 586 O ASN A 43 -3.040 14.153 0.175 1.00 0.00 O ATOM 587 CB ASN A 43 -4.711 11.856 -0.468 1.00 0.00 C ATOM 588 CG ASN A 43 -5.322 12.565 0.733 1.00 0.00 C ATOM 589 OD1 ASN A 43 -4.830 12.464 1.859 1.00 0.00 O ATOM 590 ND2 ASN A 43 -6.393 13.307 0.494 1.00 0.00 N ATOM 0 H ASN A 43 -2.746 11.615 1.565 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.851 11.302 -1.368 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.061 12.342 -1.379 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.076 10.829 -0.494 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.839 13.819 1.255 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.772 13.366 -0.451 1.00 0.00 H new ATOM 596 N ASP A 44 -1.632 13.443 -1.410 1.00 0.00 N ATOM 597 CA ASP A 44 -1.020 14.749 -1.584 1.00 0.00 C ATOM 598 C ASP A 44 -1.561 15.412 -2.839 1.00 0.00 C ATOM 599 O ASP A 44 -1.351 14.920 -3.948 1.00 0.00 O ATOM 600 CB ASP A 44 0.503 14.632 -1.657 1.00 0.00 C ATOM 601 CG ASP A 44 1.157 15.940 -2.051 1.00 0.00 C ATOM 602 OD1 ASP A 44 0.837 16.980 -1.445 1.00 0.00 O ATOM 603 OD2 ASP A 44 1.996 15.931 -2.978 1.00 0.00 O ATOM 0 H ASP A 44 -1.246 12.711 -2.006 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.270 15.366 -0.721 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.888 14.312 -0.689 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.773 13.861 -2.378 1.00 0.00 H new ATOM 607 N ASN A 45 -2.295 16.509 -2.648 1.00 0.00 N ATOM 608 CA ASN A 45 -2.888 17.261 -3.754 1.00 0.00 C ATOM 609 C ASN A 45 -3.821 16.360 -4.562 1.00 0.00 C ATOM 610 O ASN A 45 -3.892 16.438 -5.788 1.00 0.00 O ATOM 611 CB ASN A 45 -1.785 17.858 -4.639 1.00 0.00 C ATOM 612 CG ASN A 45 -2.257 18.992 -5.529 1.00 0.00 C ATOM 613 OD1 ASN A 45 -2.674 18.780 -6.666 1.00 0.00 O ATOM 614 ND2 ASN A 45 -2.178 20.211 -5.024 1.00 0.00 N ATOM 0 H ASN A 45 -2.494 16.900 -1.727 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.479 18.084 -3.352 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.978 18.221 -4.002 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.367 17.069 -5.264 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.468 21.014 -5.582 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.827 20.349 -4.076 1.00 0.00 H new ATOM 620 N GLY A 46 -4.519 15.476 -3.856 1.00 0.00 N ATOM 621 CA GLY A 46 -5.455 14.574 -4.500 1.00 0.00 C ATOM 622 C GLY A 46 -4.773 13.438 -5.232 1.00 0.00 C ATOM 623 O GLY A 46 -5.362 12.818 -6.113 1.00 0.00 O ATOM 0 H GLY A 46 -4.452 15.369 -2.844 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.129 14.162 -3.749 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.068 15.137 -5.204 1.00 0.00 H new ATOM 627 N ARG A 47 -3.529 13.174 -4.874 1.00 0.00 N ATOM 628 CA ARG A 47 -2.759 12.110 -5.498 1.00 0.00 C ATOM 629 C ARG A 47 -2.284 11.114 -4.451 1.00 0.00 C ATOM 630 O ARG A 47 -1.987 11.489 -3.318 1.00 0.00 O ATOM 631 CB ARG A 47 -1.565 12.703 -6.243 1.00 0.00 C ATOM 632 CG ARG A 47 -1.667 12.587 -7.755 1.00 0.00 C ATOM 633 CD ARG A 47 -2.933 13.240 -8.302 1.00 0.00 C ATOM 634 NE ARG A 47 -2.981 14.677 -8.023 1.00 0.00 N ATOM 635 CZ ARG A 47 -2.900 15.618 -8.965 1.00 0.00 C ATOM 636 NH1 ARG A 47 -2.736 15.281 -10.237 1.00 0.00 N ATOM 637 NH2 ARG A 47 -2.972 16.901 -8.637 1.00 0.00 N ATOM 0 H ARG A 47 -3.026 13.686 -4.149 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.397 11.585 -6.209 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.467 13.755 -5.974 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.656 12.203 -5.910 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.794 13.052 -8.213 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.652 11.535 -8.038 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.986 13.079 -9.379 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.807 12.757 -7.864 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.082 14.975 -7.053 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.671 14.298 -10.500 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.675 16.005 -10.953 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.090 17.172 -7.661 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.910 17.617 -9.361 1.00 0.00 H new ATOM 648 N LEU A 48 -2.215 9.850 -4.840 1.00 0.00 N ATOM 649 CA LEU A 48 -1.789 8.785 -3.941 1.00 0.00 C ATOM 650 C LEU A 48 -0.294 8.859 -3.661 1.00 0.00 C ATOM 651 O LEU A 48 0.524 8.786 -4.581 1.00 0.00 O ATOM 652 CB LEU A 48 -2.132 7.416 -4.538 1.00 0.00 C ATOM 653 CG LEU A 48 -3.513 6.865 -4.189 1.00 0.00 C ATOM 654 CD1 LEU A 48 -4.604 7.844 -4.575 1.00 0.00 C ATOM 655 CD2 LEU A 48 -3.730 5.531 -4.879 1.00 0.00 C ATOM 0 H LEU A 48 -2.451 9.534 -5.781 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.322 8.916 -2.999 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.052 7.484 -5.623 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.381 6.698 -4.207 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.561 6.718 -3.110 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.577 7.426 -4.315 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.457 8.782 -4.039 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.564 8.029 -5.648 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.717 5.146 -4.624 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.660 5.664 -5.959 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.969 4.823 -4.551 1.00 0.00 H new ATOM 666 N GLU A 49 0.060 9.004 -2.390 1.00 0.00 N ATOM 667 CA GLU A 49 1.454 9.079 -2.004 1.00 0.00 C ATOM 668 C GLU A 49 1.877 7.789 -1.286 1.00 0.00 C ATOM 669 O GLU A 49 1.136 7.233 -0.476 1.00 0.00 O ATOM 670 CB GLU A 49 1.712 10.322 -1.145 1.00 0.00 C ATOM 671 CG GLU A 49 1.369 10.156 0.321 1.00 0.00 C ATOM 672 CD GLU A 49 1.907 11.283 1.174 1.00 0.00 C ATOM 673 OE1 GLU A 49 3.138 11.338 1.374 1.00 0.00 O ATOM 674 OE2 GLU A 49 1.097 12.099 1.658 1.00 0.00 O ATOM 0 H GLU A 49 -0.600 9.071 -1.615 1.00 0.00 H new ATOM 0 HA GLU A 49 2.065 9.174 -2.901 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.764 10.595 -1.230 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.134 11.153 -1.548 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.286 10.105 0.434 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.772 9.209 0.680 1.00 0.00 H new ATOM 679 N TYR A 50 3.076 7.336 -1.623 1.00 0.00 N ATOM 680 CA TYR A 50 3.680 6.107 -1.108 1.00 0.00 C ATOM 681 C TYR A 50 3.867 5.986 0.322 1.00 0.00 C ATOM 682 O TYR A 50 3.969 4.851 0.785 1.00 0.00 O ATOM 683 CB TYR A 50 4.974 5.791 -1.869 1.00 0.00 C ATOM 684 CG TYR A 50 5.892 6.981 -2.073 1.00 0.00 C ATOM 685 CD1 TYR A 50 5.717 7.842 -3.151 1.00 0.00 C ATOM 686 CD2 TYR A 50 6.938 7.238 -1.196 1.00 0.00 C ATOM 687 CE1 TYR A 50 6.555 8.923 -3.347 1.00 0.00 C ATOM 688 CE2 TYR A 50 7.781 8.317 -1.385 1.00 0.00 C ATOM 689 CZ TYR A 50 7.586 9.158 -2.461 1.00 0.00 C ATOM 690 OH TYR A 50 8.425 10.235 -2.652 1.00 0.00 O ATOM 0 H TYR A 50 3.678 7.827 -2.284 1.00 0.00 H new ATOM 0 HA TYR A 50 2.915 5.355 -1.299 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.519 5.017 -1.328 1.00 0.00 H new ATOM 0 HB3 TYR A 50 4.715 5.377 -2.843 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.911 7.662 -3.848 1.00 0.00 H new ATOM 0 HD2 TYR A 50 7.095 6.583 -0.352 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.404 9.581 -4.190 1.00 0.00 H new ATOM 0 HE2 TYR A 50 8.589 8.501 -0.693 1.00 0.00 H new ATOM 0 HH TYR A 50 9.096 10.257 -1.938 1.00 0.00 H new ATOM 699 N PRO A 51 3.965 6.997 1.101 1.00 0.00 N ATOM 700 CA PRO A 51 4.123 6.637 2.431 1.00 0.00 C ATOM 701 C PRO A 51 3.201 7.293 3.411 1.00 0.00 C ATOM 702 O PRO A 51 3.398 7.273 4.625 1.00 0.00 O ATOM 703 CB PRO A 51 5.462 7.168 2.589 1.00 0.00 C ATOM 704 CG PRO A 51 5.456 8.493 1.864 1.00 0.00 C ATOM 705 CD PRO A 51 4.353 8.377 0.854 1.00 0.00 C ATOM 0 HA PRO A 51 3.930 5.582 2.625 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.712 7.297 3.642 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.205 6.492 2.166 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.276 9.319 2.552 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.415 8.683 1.382 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.541 9.082 1.034 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.697 8.542 -0.167 1.00 0.00 H new ATOM 710 N GLY A 52 2.261 7.891 2.824 1.00 0.00 N ATOM 711 CA GLY A 52 1.265 8.666 3.487 1.00 0.00 C ATOM 712 C GLY A 52 0.387 7.906 4.463 1.00 0.00 C ATOM 713 O GLY A 52 0.579 6.718 4.700 1.00 0.00 O ATOM 0 H GLY A 52 2.140 7.865 1.811 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.758 9.476 4.024 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.626 9.126 2.733 1.00 0.00 H new ATOM 717 N GLU A 53 -0.592 8.608 5.024 1.00 0.00 N ATOM 718 CA GLU A 53 -1.518 8.015 5.981 1.00 0.00 C ATOM 719 C GLU A 53 -2.904 8.642 5.863 1.00 0.00 C ATOM 720 O GLU A 53 -3.039 9.820 5.530 1.00 0.00 O ATOM 721 CB GLU A 53 -1.009 8.187 7.418 1.00 0.00 C ATOM 722 CG GLU A 53 0.248 7.392 7.734 1.00 0.00 C ATOM 723 CD GLU A 53 0.709 7.582 9.163 1.00 0.00 C ATOM 724 OE1 GLU A 53 1.308 8.637 9.462 1.00 0.00 O ATOM 725 OE2 GLU A 53 0.467 6.686 9.997 1.00 0.00 O ATOM 0 H GLU A 53 -0.765 9.594 4.830 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.585 6.952 5.749 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.811 9.244 7.597 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.797 7.888 8.109 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.060 6.334 7.554 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.045 7.694 7.055 1.00 0.00 H new ATOM 730 N SER A 54 -3.920 7.828 6.136 1.00 0.00 N ATOM 731 CA SER A 54 -5.314 8.241 6.108 1.00 0.00 C ATOM 732 C SER A 54 -5.750 8.787 4.746 1.00 0.00 C ATOM 733 O SER A 54 -6.421 9.818 4.670 1.00 0.00 O ATOM 734 CB SER A 54 -5.563 9.271 7.205 1.00 0.00 C ATOM 735 OG SER A 54 -5.071 8.806 8.450 1.00 0.00 O ATOM 0 H SER A 54 -3.792 6.848 6.387 1.00 0.00 H new ATOM 0 HA SER A 54 -5.920 7.353 6.288 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.077 10.211 6.945 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.631 9.475 7.284 1.00 0.00 H new ATOM 0 HG SER A 54 -5.238 9.481 9.141 1.00 0.00 H new ATOM 740 N PHE A 55 -5.384 8.098 3.669 1.00 0.00 N ATOM 741 CA PHE A 55 -5.782 8.534 2.336 1.00 0.00 C ATOM 742 C PHE A 55 -7.264 8.234 2.119 1.00 0.00 C ATOM 743 O PHE A 55 -7.994 9.054 1.574 1.00 0.00 O ATOM 744 CB PHE A 55 -4.930 7.862 1.240 1.00 0.00 C ATOM 745 CG PHE A 55 -5.318 6.441 0.918 1.00 0.00 C ATOM 746 CD1 PHE A 55 -5.058 5.410 1.808 1.00 0.00 C ATOM 747 CD2 PHE A 55 -5.950 6.141 -0.280 1.00 0.00 C ATOM 748 CE1 PHE A 55 -5.416 4.111 1.504 1.00 0.00 C ATOM 749 CE2 PHE A 55 -6.308 4.844 -0.587 1.00 0.00 C ATOM 750 CZ PHE A 55 -6.043 3.828 0.307 1.00 0.00 C ATOM 0 H PHE A 55 -4.821 7.248 3.692 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.615 9.609 2.265 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.999 8.458 0.330 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.886 7.877 1.552 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.571 5.625 2.748 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -6.165 6.933 -0.982 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -5.205 3.316 2.204 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.795 4.625 -1.526 1.00 0.00 H new ATOM 0 HZ PHE A 55 -6.325 2.813 0.071 1.00 0.00 H new ATOM 759 N GLY A 56 -7.717 7.084 2.630 1.00 0.00 N ATOM 760 CA GLY A 56 -9.105 6.668 2.456 1.00 0.00 C ATOM 761 C GLY A 56 -10.081 7.693 2.982 1.00 0.00 C ATOM 762 O GLY A 56 -11.226 7.767 2.538 1.00 0.00 O ATOM 0 H GLY A 56 -7.143 6.431 3.164 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.300 6.494 1.398 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.265 5.720 2.970 1.00 0.00 H new ATOM 766 N SER A 57 -9.602 8.506 3.908 1.00 0.00 N ATOM 767 CA SER A 57 -10.392 9.558 4.514 1.00 0.00 C ATOM 768 C SER A 57 -10.843 10.586 3.474 1.00 0.00 C ATOM 769 O SER A 57 -11.769 11.359 3.716 1.00 0.00 O ATOM 770 CB SER A 57 -9.556 10.219 5.605 1.00 0.00 C ATOM 771 OG SER A 57 -9.245 9.289 6.632 1.00 0.00 O ATOM 0 H SER A 57 -8.647 8.452 4.261 1.00 0.00 H new ATOM 0 HA SER A 57 -11.296 9.129 4.947 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.636 10.615 5.175 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.101 11.064 6.026 1.00 0.00 H new ATOM 0 HG SER A 57 -8.848 9.762 7.393 1.00 0.00 H new ATOM 776 N SER A 58 -10.182 10.599 2.323 1.00 0.00 N ATOM 777 CA SER A 58 -10.526 11.517 1.246 1.00 0.00 C ATOM 778 C SER A 58 -10.222 10.888 -0.116 1.00 0.00 C ATOM 779 O SER A 58 -9.952 11.599 -1.088 1.00 0.00 O ATOM 780 CB SER A 58 -9.757 12.831 1.400 1.00 0.00 C ATOM 781 OG SER A 58 -10.013 13.425 2.664 1.00 0.00 O ATOM 0 H SER A 58 -9.400 9.980 2.111 1.00 0.00 H new ATOM 0 HA SER A 58 -11.594 11.725 1.303 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.688 12.646 1.291 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.044 13.520 0.606 1.00 0.00 H new ATOM 0 HG SER A 58 -9.510 14.262 2.740 1.00 0.00 H new ATOM 786 N CYS A 59 -10.267 9.558 -0.182 1.00 0.00 N ATOM 787 CA CYS A 59 -9.990 8.844 -1.422 1.00 0.00 C ATOM 788 C CYS A 59 -11.056 7.791 -1.697 1.00 0.00 C ATOM 789 O CYS A 59 -11.584 7.167 -0.775 1.00 0.00 O ATOM 790 CB CYS A 59 -8.621 8.168 -1.361 1.00 0.00 C ATOM 791 SG CYS A 59 -7.221 9.308 -1.112 1.00 0.00 S ATOM 0 H CYS A 59 -10.493 8.956 0.610 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.997 9.576 -2.230 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -8.627 7.438 -0.551 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -8.462 7.615 -2.287 1.00 0.00 H new ATOM 795 N VAL A 60 -11.361 7.601 -2.970 1.00 0.00 N ATOM 796 CA VAL A 60 -12.353 6.624 -3.401 1.00 0.00 C ATOM 797 C VAL A 60 -11.840 5.849 -4.612 1.00 0.00 C ATOM 798 O VAL A 60 -10.757 6.143 -5.117 1.00 0.00 O ATOM 799 CB VAL A 60 -13.692 7.300 -3.764 1.00 0.00 C ATOM 800 CG1 VAL A 60 -14.352 7.899 -2.531 1.00 0.00 C ATOM 801 CG2 VAL A 60 -13.483 8.364 -4.829 1.00 0.00 C ATOM 0 H VAL A 60 -10.929 8.119 -3.735 1.00 0.00 H new ATOM 0 HA VAL A 60 -12.522 5.941 -2.568 1.00 0.00 H new ATOM 0 HB VAL A 60 -14.358 6.536 -4.166 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -15.294 8.369 -2.814 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -14.544 7.111 -1.802 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -13.691 8.646 -2.091 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -14.439 8.829 -5.071 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -12.795 9.122 -4.456 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -13.065 7.905 -5.725 1.00 0.00 H new ATOM 811 N LYS A 61 -12.623 4.871 -5.076 1.00 0.00 N ATOM 812 CA LYS A 61 -12.251 4.046 -6.233 1.00 0.00 C ATOM 813 C LYS A 61 -10.970 3.255 -5.973 1.00 0.00 C ATOM 814 O LYS A 61 -10.120 3.137 -6.853 1.00 0.00 O ATOM 815 CB LYS A 61 -12.069 4.893 -7.504 1.00 0.00 C ATOM 816 CG LYS A 61 -13.353 5.207 -8.257 1.00 0.00 C ATOM 817 CD LYS A 61 -14.169 6.292 -7.580 1.00 0.00 C ATOM 818 CE LYS A 61 -15.401 6.651 -8.396 1.00 0.00 C ATOM 819 NZ LYS A 61 -15.049 7.182 -9.743 1.00 0.00 N ATOM 0 H LYS A 61 -13.525 4.629 -4.666 1.00 0.00 H new ATOM 0 HA LYS A 61 -13.075 3.349 -6.387 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.587 5.832 -7.231 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.390 4.370 -8.177 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -13.109 5.520 -9.272 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -13.954 4.301 -8.339 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.473 5.956 -6.589 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -13.552 7.180 -7.440 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -16.030 5.768 -8.508 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -15.988 7.394 -7.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -15.876 7.660 -10.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -14.266 7.860 -9.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -14.760 6.397 -10.361 1.00 0.00 H new ATOM 829 N THR A 62 -10.833 2.721 -4.769 1.00 0.00 N ATOM 830 CA THR A 62 -9.648 1.945 -4.412 1.00 0.00 C ATOM 831 C THR A 62 -9.590 0.607 -5.158 1.00 0.00 C ATOM 832 O THR A 62 -10.516 -0.208 -5.080 1.00 0.00 O ATOM 833 CB THR A 62 -9.575 1.683 -2.896 1.00 0.00 C ATOM 834 OG1 THR A 62 -10.881 1.413 -2.374 1.00 0.00 O ATOM 835 CG2 THR A 62 -8.966 2.861 -2.153 1.00 0.00 C ATOM 0 H THR A 62 -11.523 2.808 -4.023 1.00 0.00 H new ATOM 0 HA THR A 62 -8.791 2.549 -4.711 1.00 0.00 H new ATOM 0 HB THR A 62 -8.934 0.815 -2.746 1.00 0.00 H new ATOM 0 HG1 THR A 62 -10.878 1.543 -1.403 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.931 2.640 -1.086 1.00 0.00 H new ATOM 0 HG22 THR A 62 -7.955 3.039 -2.520 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.575 3.750 -2.319 1.00 0.00 H new ATOM 843 N ALA A 63 -8.495 0.399 -5.883 1.00 0.00 N ATOM 844 CA ALA A 63 -8.272 -0.829 -6.636 1.00 0.00 C ATOM 845 C ALA A 63 -6.776 -1.122 -6.712 1.00 0.00 C ATOM 846 O ALA A 63 -5.959 -0.233 -6.482 1.00 0.00 O ATOM 847 CB ALA A 63 -8.873 -0.720 -8.030 1.00 0.00 C ATOM 0 H ALA A 63 -7.738 1.078 -5.964 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.766 -1.654 -6.123 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.696 -1.647 -8.576 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.946 -0.545 -7.951 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.408 0.110 -8.563 1.00 0.00 H new ATOM 853 N LEU A 64 -6.417 -2.359 -7.029 1.00 0.00 N ATOM 854 CA LEU A 64 -5.011 -2.741 -7.102 1.00 0.00 C ATOM 855 C LEU A 64 -4.660 -3.310 -8.476 1.00 0.00 C ATOM 856 O LEU A 64 -5.132 -4.380 -8.855 1.00 0.00 O ATOM 857 CB LEU A 64 -4.697 -3.769 -6.007 1.00 0.00 C ATOM 858 CG LEU A 64 -3.543 -3.401 -5.065 1.00 0.00 C ATOM 859 CD1 LEU A 64 -2.225 -3.392 -5.808 1.00 0.00 C ATOM 860 CD2 LEU A 64 -3.791 -2.048 -4.424 1.00 0.00 C ATOM 0 H LEU A 64 -7.074 -3.111 -7.238 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.405 -1.848 -6.947 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.595 -3.923 -5.409 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.464 -4.721 -6.483 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.492 -4.156 -4.281 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.421 -3.129 -5.120 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.036 -4.381 -6.225 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.267 -2.660 -6.614 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.963 -1.803 -3.759 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.871 -1.287 -5.200 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.718 -2.081 -3.852 1.00 0.00 H new ATOM 871 N ASN A 65 -3.817 -2.593 -9.211 1.00 0.00 N ATOM 872 CA ASN A 65 -3.394 -3.026 -10.536 1.00 0.00 C ATOM 873 C ASN A 65 -2.247 -4.010 -10.445 1.00 0.00 C ATOM 874 O ASN A 65 -1.201 -3.709 -9.853 1.00 0.00 O ATOM 875 CB ASN A 65 -2.981 -1.840 -11.403 1.00 0.00 C ATOM 876 CG ASN A 65 -4.171 -1.082 -11.948 1.00 0.00 C ATOM 877 OD1 ASN A 65 -4.622 -0.100 -11.358 1.00 0.00 O ATOM 878 ND2 ASN A 65 -4.710 -1.553 -13.063 1.00 0.00 N ATOM 0 H ASN A 65 -3.412 -1.707 -8.910 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.249 -3.518 -11.001 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.360 -1.163 -10.816 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.369 -2.195 -12.232 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -5.530 -1.099 -13.464 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -4.304 -2.370 -13.520 1.00 0.00 H new ATOM 884 N ASP A 66 -2.475 -5.194 -11.011 1.00 0.00 N ATOM 885 CA ASP A 66 -1.492 -6.280 -11.048 1.00 0.00 C ATOM 886 C ASP A 66 -0.943 -6.596 -9.656 1.00 0.00 C ATOM 887 O ASP A 66 0.161 -7.123 -9.504 1.00 0.00 O ATOM 888 CB ASP A 66 -0.366 -5.932 -12.028 1.00 0.00 C ATOM 889 CG ASP A 66 0.570 -7.097 -12.297 1.00 0.00 C ATOM 890 OD1 ASP A 66 0.080 -8.216 -12.563 1.00 0.00 O ATOM 891 OD2 ASP A 66 1.804 -6.895 -12.251 1.00 0.00 O ATOM 0 H ASP A 66 -3.358 -5.431 -11.463 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.993 -7.182 -11.399 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.802 -5.599 -12.970 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.209 -5.096 -11.630 1.00 0.00 H new ATOM 895 N GLY A 67 -1.734 -6.282 -8.640 1.00 0.00 N ATOM 896 CA GLY A 67 -1.342 -6.540 -7.270 1.00 0.00 C ATOM 897 C GLY A 67 -0.024 -5.893 -6.882 1.00 0.00 C ATOM 898 O GLY A 67 0.779 -6.502 -6.187 1.00 0.00 O ATOM 0 H GLY A 67 -2.651 -5.848 -8.743 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.125 -6.179 -6.603 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.267 -7.617 -7.119 1.00 0.00 H new ATOM 902 N HIS A 68 0.212 -4.668 -7.343 1.00 0.00 N ATOM 903 CA HIS A 68 1.443 -3.961 -6.996 1.00 0.00 C ATOM 904 C HIS A 68 1.215 -2.454 -6.948 1.00 0.00 C ATOM 905 O HIS A 68 1.859 -1.752 -6.183 1.00 0.00 O ATOM 906 CB HIS A 68 2.593 -4.303 -7.963 1.00 0.00 C ATOM 907 CG HIS A 68 2.530 -3.620 -9.302 1.00 0.00 C ATOM 908 ND1 HIS A 68 3.317 -2.537 -9.629 1.00 0.00 N ATOM 909 CD2 HIS A 68 1.786 -3.883 -10.403 1.00 0.00 C ATOM 910 CE1 HIS A 68 3.065 -2.168 -10.870 1.00 0.00 C ATOM 911 NE2 HIS A 68 2.139 -2.968 -11.362 1.00 0.00 N ATOM 0 H HIS A 68 -0.423 -4.149 -7.950 1.00 0.00 H new ATOM 0 HA HIS A 68 1.736 -4.298 -6.002 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.537 -4.043 -7.485 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.603 -5.381 -8.123 1.00 0.00 H new ATOM 0 HD1 HIS A 68 3.991 -2.090 -9.007 1.00 0.00 H new ATOM 0 HD2 HIS A 68 1.051 -4.668 -10.507 1.00 0.00 H new ATOM 0 HE1 HIS A 68 3.537 -1.350 -11.394 1.00 0.00 H new ATOM 919 N THR A 69 0.296 -1.960 -7.761 1.00 0.00 N ATOM 920 CA THR A 69 0.003 -0.541 -7.800 1.00 0.00 C ATOM 921 C THR A 69 -1.427 -0.258 -7.348 1.00 0.00 C ATOM 922 O THR A 69 -2.367 -0.894 -7.807 1.00 0.00 O ATOM 923 CB THR A 69 0.225 0.007 -9.221 1.00 0.00 C ATOM 924 OG1 THR A 69 1.630 0.125 -9.489 1.00 0.00 O ATOM 925 CG2 THR A 69 -0.462 1.349 -9.421 1.00 0.00 C ATOM 0 H THR A 69 -0.260 -2.524 -8.404 1.00 0.00 H new ATOM 0 HA THR A 69 0.681 -0.038 -7.111 1.00 0.00 H new ATOM 0 HB THR A 69 -0.219 -0.699 -9.923 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.762 0.473 -10.396 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.282 1.702 -10.436 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.534 1.236 -9.261 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.063 2.072 -8.709 1.00 0.00 H new ATOM 933 N LEU A 70 -1.573 0.686 -6.438 1.00 0.00 N ATOM 934 CA LEU A 70 -2.877 1.073 -5.928 1.00 0.00 C ATOM 935 C LEU A 70 -3.421 2.243 -6.729 1.00 0.00 C ATOM 936 O LEU A 70 -2.719 3.221 -6.965 1.00 0.00 O ATOM 937 CB LEU A 70 -2.770 1.443 -4.442 1.00 0.00 C ATOM 938 CG LEU A 70 -3.913 2.289 -3.862 1.00 0.00 C ATOM 939 CD1 LEU A 70 -5.241 1.554 -3.940 1.00 0.00 C ATOM 940 CD2 LEU A 70 -3.602 2.673 -2.425 1.00 0.00 C ATOM 0 H LEU A 70 -0.795 1.205 -6.032 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.564 0.233 -6.029 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.702 0.521 -3.865 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.835 1.983 -4.291 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.000 3.195 -4.461 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.029 2.180 -3.521 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.472 1.329 -4.981 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.177 0.625 -3.373 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.419 3.273 -2.024 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.485 1.771 -1.825 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.679 3.251 -2.395 1.00 0.00 H new ATOM 951 N THR A 71 -4.658 2.130 -7.160 1.00 0.00 N ATOM 952 CA THR A 71 -5.298 3.184 -7.914 1.00 0.00 C ATOM 953 C THR A 71 -6.499 3.713 -7.153 1.00 0.00 C ATOM 954 O THR A 71 -7.327 2.935 -6.676 1.00 0.00 O ATOM 955 CB THR A 71 -5.741 2.701 -9.308 1.00 0.00 C ATOM 956 OG1 THR A 71 -5.849 1.268 -9.329 1.00 0.00 O ATOM 957 CG2 THR A 71 -4.764 3.164 -10.374 1.00 0.00 C ATOM 0 H THR A 71 -5.245 1.311 -6.999 1.00 0.00 H new ATOM 0 HA THR A 71 -4.567 3.981 -8.050 1.00 0.00 H new ATOM 0 HB THR A 71 -6.718 3.133 -9.523 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.422 0.920 -10.139 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.097 2.811 -11.350 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.719 4.253 -10.378 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.774 2.760 -10.160 1.00 0.00 H new ATOM 965 N ALA A 72 -6.571 5.027 -7.009 1.00 0.00 N ATOM 966 CA ALA A 72 -7.677 5.657 -6.313 1.00 0.00 C ATOM 967 C ALA A 72 -7.750 7.138 -6.657 1.00 0.00 C ATOM 968 O ALA A 72 -6.793 7.720 -7.180 1.00 0.00 O ATOM 969 CB ALA A 72 -7.549 5.455 -4.808 1.00 0.00 C ATOM 0 H ALA A 72 -5.873 5.678 -7.367 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.604 5.186 -6.640 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.388 5.935 -4.304 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.552 4.389 -4.582 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.615 5.897 -4.460 1.00 0.00 H new ATOM 975 N SER A 73 -8.891 7.734 -6.377 1.00 0.00 N ATOM 976 CA SER A 73 -9.111 9.141 -6.646 1.00 0.00 C ATOM 977 C SER A 73 -9.213 9.889 -5.323 1.00 0.00 C ATOM 978 O SER A 73 -10.021 9.530 -4.466 1.00 0.00 O ATOM 979 CB SER A 73 -10.390 9.318 -7.469 1.00 0.00 C ATOM 980 OG SER A 73 -10.517 10.645 -7.945 1.00 0.00 O ATOM 0 H SER A 73 -9.690 7.259 -5.958 1.00 0.00 H new ATOM 0 HA SER A 73 -8.277 9.546 -7.220 1.00 0.00 H new ATOM 0 HB2 SER A 73 -10.381 8.627 -8.312 1.00 0.00 H new ATOM 0 HB3 SER A 73 -11.256 9.064 -6.858 1.00 0.00 H new ATOM 0 HG SER A 73 -11.462 10.903 -7.946 1.00 0.00 H new ATOM 985 N CYS A 74 -8.395 10.915 -5.150 1.00 0.00 N ATOM 986 CA CYS A 74 -8.394 11.674 -3.907 1.00 0.00 C ATOM 987 C CYS A 74 -8.608 13.160 -4.133 1.00 0.00 C ATOM 988 O CYS A 74 -8.332 13.686 -5.209 1.00 0.00 O ATOM 989 CB CYS A 74 -7.067 11.476 -3.187 1.00 0.00 C ATOM 990 SG CYS A 74 -6.599 9.736 -2.985 1.00 0.00 S ATOM 0 H CYS A 74 -7.727 11.241 -5.849 1.00 0.00 H new ATOM 0 HA CYS A 74 -9.223 11.302 -3.305 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -6.283 11.992 -3.741 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -7.124 11.944 -2.204 1.00 0.00 H new ATOM 994 N LYS A 75 -9.103 13.824 -3.100 1.00 0.00 N ATOM 995 CA LYS A 75 -9.334 15.261 -3.135 1.00 0.00 C ATOM 996 C LYS A 75 -8.170 15.986 -2.461 1.00 0.00 C ATOM 997 O LYS A 75 -7.543 15.442 -1.554 1.00 0.00 O ATOM 998 CB LYS A 75 -10.680 15.589 -2.450 1.00 0.00 C ATOM 999 CG LYS A 75 -10.886 17.063 -2.117 1.00 0.00 C ATOM 1000 CD LYS A 75 -10.355 17.398 -0.730 1.00 0.00 C ATOM 1001 CE LYS A 75 -10.133 18.886 -0.552 1.00 0.00 C ATOM 1002 NZ LYS A 75 -9.540 19.194 0.774 1.00 0.00 N ATOM 0 H LYS A 75 -9.356 13.384 -2.215 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.390 15.603 -4.169 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.492 15.261 -3.100 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.754 15.009 -1.530 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.381 17.680 -2.860 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.948 17.305 -2.170 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.059 17.044 0.023 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.417 16.869 -0.563 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.475 19.253 -1.340 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.082 19.412 -0.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -9.401 20.221 0.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.180 18.865 1.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.623 18.712 0.865 1.00 0.00 H new ATOM 1012 N GLY A 76 -7.866 17.198 -2.918 1.00 0.00 N ATOM 1013 CA GLY A 76 -6.782 17.957 -2.316 1.00 0.00 C ATOM 1014 C GLY A 76 -6.135 18.937 -3.272 1.00 0.00 C ATOM 1015 O GLY A 76 -5.581 19.950 -2.851 1.00 0.00 O ATOM 0 H GLY A 76 -8.346 17.665 -3.687 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -7.164 18.501 -1.452 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.024 17.266 -1.947 1.00 0.00 H new ATOM 1019 N ALA A 77 -6.175 18.613 -4.555 1.00 0.00 N ATOM 1020 CA ALA A 77 -5.600 19.467 -5.588 1.00 0.00 C ATOM 1021 C ALA A 77 -6.174 20.878 -5.532 1.00 0.00 C ATOM 1022 O ALA A 77 -5.443 21.862 -5.649 1.00 0.00 O ATOM 1023 CB ALA A 77 -5.834 18.852 -6.955 1.00 0.00 C ATOM 0 H ALA A 77 -6.603 17.758 -4.910 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.528 19.543 -5.407 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.402 19.495 -7.722 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.363 17.870 -6.997 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.905 18.749 -7.129 1.00 0.00 H new ATOM 1029 N ASP A 78 -7.486 20.966 -5.338 1.00 0.00 N ATOM 1030 CA ASP A 78 -8.173 22.253 -5.263 1.00 0.00 C ATOM 1031 C ASP A 78 -9.628 22.038 -4.864 1.00 0.00 C ATOM 1032 O ASP A 78 -10.548 22.407 -5.592 1.00 0.00 O ATOM 1033 CB ASP A 78 -8.105 22.989 -6.605 1.00 0.00 C ATOM 1034 CG ASP A 78 -8.413 24.467 -6.472 1.00 0.00 C ATOM 1035 OD1 ASP A 78 -9.600 24.848 -6.520 1.00 0.00 O ATOM 1036 OD2 ASP A 78 -7.463 25.262 -6.330 1.00 0.00 O ATOM 0 H ASP A 78 -8.098 20.158 -5.229 1.00 0.00 H new ATOM 0 HA ASP A 78 -7.676 22.865 -4.511 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -7.110 22.865 -7.034 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.811 22.535 -7.301 1.00 0.00 H new ATOM 1040 N GLY A 79 -9.824 21.386 -3.723 1.00 0.00 N ATOM 1041 CA GLY A 79 -11.166 21.116 -3.233 1.00 0.00 C ATOM 1042 C GLY A 79 -11.894 20.089 -4.076 1.00 0.00 C ATOM 1043 O GLY A 79 -13.057 19.777 -3.832 1.00 0.00 O ATOM 0 H GLY A 79 -9.074 21.038 -3.125 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -11.109 20.763 -2.203 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -11.739 22.043 -3.221 1.00 0.00 H new ATOM 1047 N GLN A 80 -11.201 19.568 -5.075 1.00 0.00 N ATOM 1048 CA GLN A 80 -11.761 18.575 -5.972 1.00 0.00 C ATOM 1049 C GLN A 80 -10.906 17.319 -5.960 1.00 0.00 C ATOM 1050 O GLN A 80 -9.752 17.345 -5.514 1.00 0.00 O ATOM 1051 CB GLN A 80 -11.857 19.139 -7.393 1.00 0.00 C ATOM 1052 CG GLN A 80 -10.542 19.680 -7.932 1.00 0.00 C ATOM 1053 CD GLN A 80 -10.673 20.240 -9.334 1.00 0.00 C ATOM 1054 OE1 GLN A 80 -11.737 20.715 -9.733 1.00 0.00 O ATOM 1055 NE2 GLN A 80 -9.591 20.192 -10.091 1.00 0.00 N ATOM 0 H GLN A 80 -10.236 19.822 -5.285 1.00 0.00 H new ATOM 0 HA GLN A 80 -12.764 18.319 -5.631 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -12.217 18.356 -8.060 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -12.600 19.937 -7.407 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.174 20.461 -7.266 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.798 18.883 -7.931 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -8.729 19.790 -9.723 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -9.618 20.557 -11.043 1.00 0.00 H new ATOM 1062 N TYR A 81 -11.479 16.226 -6.437 1.00 0.00 N ATOM 1063 CA TYR A 81 -10.780 14.955 -6.484 1.00 0.00 C ATOM 1064 C TYR A 81 -10.065 14.782 -7.819 1.00 0.00 C ATOM 1065 O TYR A 81 -10.383 15.457 -8.798 1.00 0.00 O ATOM 1066 CB TYR A 81 -11.758 13.797 -6.247 1.00 0.00 C ATOM 1067 CG TYR A 81 -12.800 13.644 -7.332 1.00 0.00 C ATOM 1068 CD1 TYR A 81 -12.530 12.898 -8.470 1.00 0.00 C ATOM 1069 CD2 TYR A 81 -14.044 14.251 -7.224 1.00 0.00 C ATOM 1070 CE1 TYR A 81 -13.463 12.757 -9.468 1.00 0.00 C ATOM 1071 CE2 TYR A 81 -14.990 14.113 -8.221 1.00 0.00 C ATOM 1072 CZ TYR A 81 -14.693 13.366 -9.344 1.00 0.00 C ATOM 1073 OH TYR A 81 -15.629 13.230 -10.346 1.00 0.00 O ATOM 0 H TYR A 81 -12.432 16.195 -6.799 1.00 0.00 H new ATOM 0 HA TYR A 81 -10.032 14.946 -5.691 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -11.193 12.868 -6.165 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -12.261 13.949 -5.292 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.568 12.419 -8.573 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -14.275 14.839 -6.348 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -13.234 12.171 -10.346 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -15.956 14.586 -8.123 1.00 0.00 H new ATOM 0 HH TYR A 81 -16.442 13.720 -10.103 1.00 0.00 H new ATOM 1082 N HIS A 82 -9.097 13.884 -7.846 1.00 0.00 N ATOM 1083 CA HIS A 82 -8.336 13.603 -9.048 1.00 0.00 C ATOM 1084 C HIS A 82 -7.953 12.134 -9.050 1.00 0.00 C ATOM 1085 O HIS A 82 -7.758 11.539 -7.991 1.00 0.00 O ATOM 1086 CB HIS A 82 -7.075 14.470 -9.098 1.00 0.00 C ATOM 1087 CG HIS A 82 -6.463 14.572 -10.462 1.00 0.00 C ATOM 1088 ND1 HIS A 82 -5.646 13.602 -11.006 1.00 0.00 N ATOM 1089 CD2 HIS A 82 -6.553 15.548 -11.393 1.00 0.00 C ATOM 1090 CE1 HIS A 82 -5.263 13.983 -12.210 1.00 0.00 C ATOM 1091 NE2 HIS A 82 -5.798 15.158 -12.468 1.00 0.00 N ATOM 0 H HIS A 82 -8.817 13.330 -7.036 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.943 13.832 -9.924 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.320 15.472 -8.744 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -6.337 14.060 -8.409 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -5.380 12.729 -10.550 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -7.116 16.466 -11.306 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -4.619 13.424 -12.873 1.00 0.00 H new ATOM 1099 N ASP A 83 -7.881 11.545 -10.226 1.00 0.00 N ATOM 1100 CA ASP A 83 -7.515 10.142 -10.356 1.00 0.00 C ATOM 1101 C ASP A 83 -6.001 9.996 -10.317 1.00 0.00 C ATOM 1102 O ASP A 83 -5.285 10.776 -10.946 1.00 0.00 O ATOM 1103 CB ASP A 83 -8.060 9.572 -11.663 1.00 0.00 C ATOM 1104 CG ASP A 83 -7.714 8.111 -11.845 1.00 0.00 C ATOM 1105 OD1 ASP A 83 -6.651 7.812 -12.426 1.00 0.00 O ATOM 1106 OD2 ASP A 83 -8.504 7.255 -11.406 1.00 0.00 O ATOM 0 H ASP A 83 -8.071 12.015 -11.111 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.949 9.587 -9.524 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.143 9.691 -11.684 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.660 10.144 -12.500 1.00 0.00 H new ATOM 1110 N SER A 84 -5.515 9.020 -9.566 1.00 0.00 N ATOM 1111 CA SER A 84 -4.083 8.793 -9.458 1.00 0.00 C ATOM 1112 C SER A 84 -3.780 7.351 -9.074 1.00 0.00 C ATOM 1113 O SER A 84 -4.690 6.573 -8.777 1.00 0.00 O ATOM 1114 CB SER A 84 -3.478 9.748 -8.431 1.00 0.00 C ATOM 1115 OG SER A 84 -4.193 9.708 -7.207 1.00 0.00 O ATOM 0 H SER A 84 -6.089 8.374 -9.024 1.00 0.00 H new ATOM 0 HA SER A 84 -3.636 8.983 -10.434 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.436 9.483 -8.255 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.486 10.764 -8.827 1.00 0.00 H new ATOM 0 HG SER A 84 -4.911 10.375 -7.226 1.00 0.00 H new ATOM 1120 N SER A 85 -2.501 7.007 -9.087 1.00 0.00 N ATOM 1121 CA SER A 85 -2.063 5.667 -8.741 1.00 0.00 C ATOM 1122 C SER A 85 -0.793 5.738 -7.910 1.00 0.00 C ATOM 1123 O SER A 85 -0.131 6.773 -7.858 1.00 0.00 O ATOM 1124 CB SER A 85 -1.796 4.844 -9.998 1.00 0.00 C ATOM 1125 OG SER A 85 -2.417 5.430 -11.134 1.00 0.00 O ATOM 0 H SER A 85 -1.744 7.644 -9.336 1.00 0.00 H new ATOM 0 HA SER A 85 -2.855 5.186 -8.166 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.722 4.768 -10.166 1.00 0.00 H new ATOM 0 HB3 SER A 85 -2.169 3.829 -9.858 1.00 0.00 H new ATOM 0 HG SER A 85 -2.230 4.885 -11.927 1.00 0.00 H new ATOM 1130 N MET A 86 -0.462 4.640 -7.261 1.00 0.00 N ATOM 1131 CA MET A 86 0.725 4.574 -6.435 1.00 0.00 C ATOM 1132 C MET A 86 1.281 3.162 -6.413 1.00 0.00 C ATOM 1133 O MET A 86 0.600 2.229 -5.999 1.00 0.00 O ATOM 1134 CB MET A 86 0.390 5.013 -5.016 1.00 0.00 C ATOM 1135 CG MET A 86 1.572 4.998 -4.058 1.00 0.00 C ATOM 1136 SD MET A 86 2.770 6.312 -4.394 1.00 0.00 S ATOM 1137 CE MET A 86 3.669 5.677 -5.805 1.00 0.00 C ATOM 0 H MET A 86 -1.003 3.776 -7.291 1.00 0.00 H new ATOM 0 HA MET A 86 1.478 5.241 -6.855 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.023 6.021 -5.049 1.00 0.00 H new ATOM 0 HB3 MET A 86 -0.390 4.362 -4.622 1.00 0.00 H new ATOM 0 HG2 MET A 86 1.206 5.100 -3.036 1.00 0.00 H new ATOM 0 HG3 MET A 86 2.073 4.032 -4.122 1.00 0.00 H new ATOM 0 HE1 MET A 86 4.569 6.272 -5.961 1.00 0.00 H new ATOM 0 HE2 MET A 86 3.948 4.639 -5.622 1.00 0.00 H new ATOM 0 HE3 MET A 86 3.039 5.732 -6.693 1.00 0.00 H new ATOM 1145 N ASP A 87 2.511 3.003 -6.870 1.00 0.00 N ATOM 1146 CA ASP A 87 3.146 1.699 -6.873 1.00 0.00 C ATOM 1147 C ASP A 87 3.527 1.317 -5.450 1.00 0.00 C ATOM 1148 O ASP A 87 4.434 1.895 -4.856 1.00 0.00 O ATOM 1149 CB ASP A 87 4.377 1.685 -7.776 1.00 0.00 C ATOM 1150 CG ASP A 87 4.976 0.299 -7.896 1.00 0.00 C ATOM 1151 OD1 ASP A 87 4.202 -0.684 -7.960 1.00 0.00 O ATOM 1152 OD2 ASP A 87 6.216 0.186 -7.916 1.00 0.00 O ATOM 0 H ASP A 87 3.087 3.758 -7.242 1.00 0.00 H new ATOM 0 HA ASP A 87 2.439 0.969 -7.268 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.104 2.049 -8.766 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.126 2.371 -7.379 1.00 0.00 H new ATOM 1156 N LEU A 88 2.808 0.352 -4.913 1.00 0.00 N ATOM 1157 CA LEU A 88 3.025 -0.124 -3.557 1.00 0.00 C ATOM 1158 C LEU A 88 4.175 -1.110 -3.523 1.00 0.00 C ATOM 1159 O LEU A 88 4.617 -1.518 -2.451 1.00 0.00 O ATOM 1160 CB LEU A 88 1.764 -0.798 -3.017 1.00 0.00 C ATOM 1161 CG LEU A 88 0.450 -0.079 -3.320 1.00 0.00 C ATOM 1162 CD1 LEU A 88 -0.719 -0.846 -2.721 1.00 0.00 C ATOM 1163 CD2 LEU A 88 0.487 1.345 -2.784 1.00 0.00 C ATOM 0 H LEU A 88 2.054 -0.127 -5.404 1.00 0.00 H new ATOM 0 HA LEU A 88 3.267 0.735 -2.931 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.709 -1.806 -3.427 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.862 -0.898 -1.936 1.00 0.00 H new ATOM 0 HG LEU A 88 0.318 -0.034 -4.401 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.649 -0.324 -2.944 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.754 -1.848 -3.149 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.592 -0.917 -1.641 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.456 1.843 -3.008 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.638 1.324 -1.705 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.305 1.890 -3.255 1.00 0.00 H new ATOM 1174 N ASN A 89 4.639 -1.503 -4.704 1.00 0.00 N ATOM 1175 CA ASN A 89 5.741 -2.451 -4.835 1.00 0.00 C ATOM 1176 C ASN A 89 6.918 -2.077 -3.931 1.00 0.00 C ATOM 1177 O ASN A 89 7.643 -2.951 -3.459 1.00 0.00 O ATOM 1178 CB ASN A 89 6.202 -2.526 -6.295 1.00 0.00 C ATOM 1179 CG ASN A 89 7.397 -3.438 -6.491 1.00 0.00 C ATOM 1180 OD1 ASN A 89 8.545 -3.004 -6.381 1.00 0.00 O ATOM 1181 ND2 ASN A 89 7.145 -4.698 -6.817 1.00 0.00 N ATOM 0 H ASN A 89 4.264 -1.176 -5.594 1.00 0.00 H new ATOM 0 HA ASN A 89 5.377 -3.429 -4.520 1.00 0.00 H new ATOM 0 HB2 ASN A 89 5.377 -2.879 -6.913 1.00 0.00 H new ATOM 0 HB3 ASN A 89 6.455 -1.524 -6.643 1.00 0.00 H new ATOM 0 HD21 ASN A 89 7.915 -5.345 -6.986 1.00 0.00 H new ATOM 0 HD22 ASN A 89 6.181 -5.021 -6.899 1.00 0.00 H new ATOM 1187 N TYR A 90 7.089 -0.786 -3.660 1.00 0.00 N ATOM 1188 CA TYR A 90 8.183 -0.341 -2.813 1.00 0.00 C ATOM 1189 C TYR A 90 7.670 0.329 -1.539 1.00 0.00 C ATOM 1190 O TYR A 90 8.419 1.014 -0.850 1.00 0.00 O ATOM 1191 CB TYR A 90 9.126 0.599 -3.582 1.00 0.00 C ATOM 1192 CG TYR A 90 8.511 1.920 -3.997 1.00 0.00 C ATOM 1193 CD1 TYR A 90 7.689 2.013 -5.115 1.00 0.00 C ATOM 1194 CD2 TYR A 90 8.772 3.080 -3.278 1.00 0.00 C ATOM 1195 CE1 TYR A 90 7.147 3.225 -5.500 1.00 0.00 C ATOM 1196 CE2 TYR A 90 8.230 4.291 -3.656 1.00 0.00 C ATOM 1197 CZ TYR A 90 7.419 4.358 -4.767 1.00 0.00 C ATOM 1198 OH TYR A 90 6.884 5.566 -5.151 1.00 0.00 O ATOM 0 H TYR A 90 6.489 -0.040 -4.012 1.00 0.00 H new ATOM 0 HA TYR A 90 8.748 -1.225 -2.517 1.00 0.00 H new ATOM 0 HB2 TYR A 90 10.000 0.800 -2.962 1.00 0.00 H new ATOM 0 HB3 TYR A 90 9.481 0.084 -4.475 1.00 0.00 H new ATOM 0 HD1 TYR A 90 7.471 1.126 -5.691 1.00 0.00 H new ATOM 0 HD2 TYR A 90 9.410 3.033 -2.408 1.00 0.00 H new ATOM 0 HE1 TYR A 90 6.513 3.283 -6.372 1.00 0.00 H new ATOM 0 HE2 TYR A 90 8.441 5.182 -3.083 1.00 0.00 H new ATOM 0 HH TYR A 90 6.590 6.061 -4.358 1.00 0.00 H new ATOM 1207 N VAL A 91 6.393 0.128 -1.227 1.00 0.00 N ATOM 1208 CA VAL A 91 5.815 0.717 -0.024 1.00 0.00 C ATOM 1209 C VAL A 91 5.285 -0.378 0.900 1.00 0.00 C ATOM 1210 O VAL A 91 4.814 -0.117 2.008 1.00 0.00 O ATOM 1211 CB VAL A 91 4.703 1.746 -0.348 1.00 0.00 C ATOM 1212 CG1 VAL A 91 5.074 2.555 -1.566 1.00 0.00 C ATOM 1213 CG2 VAL A 91 3.336 1.118 -0.518 1.00 0.00 C ATOM 0 H VAL A 91 5.746 -0.431 -1.783 1.00 0.00 H new ATOM 0 HA VAL A 91 6.610 1.260 0.486 1.00 0.00 H new ATOM 0 HB VAL A 91 4.629 2.406 0.516 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.283 3.273 -1.781 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.007 3.087 -1.379 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.201 1.890 -2.420 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.604 1.894 -0.743 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.365 0.399 -1.336 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.053 0.608 0.403 1.00 0.00 H new ATOM 1223 N VAL A 92 5.373 -1.612 0.426 1.00 0.00 N ATOM 1224 CA VAL A 92 4.933 -2.771 1.189 1.00 0.00 C ATOM 1225 C VAL A 92 5.669 -4.016 0.716 1.00 0.00 C ATOM 1226 O VAL A 92 5.782 -4.261 -0.487 1.00 0.00 O ATOM 1227 CB VAL A 92 3.401 -2.980 1.098 1.00 0.00 C ATOM 1228 CG1 VAL A 92 2.920 -2.996 -0.339 1.00 0.00 C ATOM 1229 CG2 VAL A 92 2.974 -4.252 1.821 1.00 0.00 C ATOM 0 H VAL A 92 5.750 -1.838 -0.495 1.00 0.00 H new ATOM 0 HA VAL A 92 5.171 -2.587 2.237 1.00 0.00 H new ATOM 0 HB VAL A 92 2.933 -2.130 1.595 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.840 -3.145 -0.360 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.165 -2.046 -0.815 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.409 -3.808 -0.877 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.894 -4.372 1.740 1.00 0.00 H new ATOM 0 HG22 VAL A 92 3.469 -5.111 1.369 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.253 -4.184 2.872 1.00 0.00 H new ATOM 1239 N GLY A 93 6.207 -4.774 1.660 1.00 0.00 N ATOM 1240 CA GLY A 93 6.933 -5.976 1.316 1.00 0.00 C ATOM 1241 C GLY A 93 6.422 -7.206 2.036 1.00 0.00 C ATOM 1242 O GLY A 93 5.481 -7.130 2.830 1.00 0.00 O ATOM 0 H GLY A 93 6.153 -4.577 2.659 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.866 -6.138 0.240 1.00 0.00 H new ATOM 0 HA3 GLY A 93 7.988 -5.836 1.552 1.00 0.00 H new ATOM 1246 N ASN A 94 7.049 -8.336 1.751 1.00 0.00 N ATOM 1247 CA ASN A 94 6.678 -9.608 2.358 1.00 0.00 C ATOM 1248 C ASN A 94 7.840 -10.173 3.159 1.00 0.00 C ATOM 1249 O ASN A 94 8.949 -10.321 2.639 1.00 0.00 O ATOM 1250 CB ASN A 94 6.275 -10.620 1.284 1.00 0.00 C ATOM 1251 CG ASN A 94 6.039 -12.012 1.849 1.00 0.00 C ATOM 1252 OD1 ASN A 94 5.521 -12.177 2.955 1.00 0.00 O ATOM 1253 ND2 ASN A 94 6.449 -13.024 1.102 1.00 0.00 N ATOM 0 H ASN A 94 7.827 -8.399 1.095 1.00 0.00 H new ATOM 0 HA ASN A 94 5.832 -9.428 3.021 1.00 0.00 H new ATOM 0 HB2 ASN A 94 5.368 -10.275 0.788 1.00 0.00 H new ATOM 0 HB3 ASN A 94 7.055 -10.668 0.525 1.00 0.00 H new ATOM 0 HD21 ASN A 94 6.341 -13.981 1.437 1.00 0.00 H new ATOM 0 HD22 ASN A 94 6.873 -12.847 0.191 1.00 0.00 H new ATOM 1259 N SER A 95 7.589 -10.483 4.416 1.00 0.00 N ATOM 1260 CA SER A 95 8.609 -11.039 5.278 1.00 0.00 C ATOM 1261 C SER A 95 8.097 -12.285 5.988 1.00 0.00 C ATOM 1262 O SER A 95 7.396 -12.188 6.996 1.00 0.00 O ATOM 1263 CB SER A 95 9.057 -10.001 6.300 1.00 0.00 C ATOM 1264 OG SER A 95 9.723 -8.916 5.672 1.00 0.00 O ATOM 0 H SER A 95 6.681 -10.358 4.863 1.00 0.00 H new ATOM 0 HA SER A 95 9.462 -11.321 4.661 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.191 -9.631 6.850 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.721 -10.467 7.028 1.00 0.00 H new ATOM 0 HG SER A 95 10.136 -8.347 6.354 1.00 0.00 H new ATOM 1269 N TYR A 96 8.427 -13.445 5.433 1.00 0.00 N ATOM 1270 CA TYR A 96 8.033 -14.727 6.007 1.00 0.00 C ATOM 1271 C TYR A 96 6.518 -14.869 6.053 1.00 0.00 C ATOM 1272 O TYR A 96 5.938 -15.175 7.096 1.00 0.00 O ATOM 1273 CB TYR A 96 8.648 -14.900 7.399 1.00 0.00 C ATOM 1274 CG TYR A 96 10.146 -15.112 7.361 1.00 0.00 C ATOM 1275 CD1 TYR A 96 11.024 -14.042 7.230 1.00 0.00 C ATOM 1276 CD2 TYR A 96 10.683 -16.387 7.438 1.00 0.00 C ATOM 1277 CE1 TYR A 96 12.392 -14.241 7.178 1.00 0.00 C ATOM 1278 CE2 TYR A 96 12.047 -16.594 7.391 1.00 0.00 C ATOM 1279 CZ TYR A 96 12.896 -15.520 7.259 1.00 0.00 C ATOM 1280 OH TYR A 96 14.259 -15.729 7.207 1.00 0.00 O ATOM 0 H TYR A 96 8.973 -13.524 4.575 1.00 0.00 H new ATOM 0 HA TYR A 96 8.414 -15.520 5.364 1.00 0.00 H new ATOM 0 HB2 TYR A 96 8.426 -14.018 8.000 1.00 0.00 H new ATOM 0 HB3 TYR A 96 8.179 -15.750 7.895 1.00 0.00 H new ATOM 0 HD1 TYR A 96 10.631 -13.038 7.168 1.00 0.00 H new ATOM 0 HD2 TYR A 96 10.022 -17.235 7.537 1.00 0.00 H new ATOM 0 HE1 TYR A 96 13.060 -13.399 7.075 1.00 0.00 H new ATOM 0 HE2 TYR A 96 12.446 -17.595 7.458 1.00 0.00 H new ATOM 0 HH TYR A 96 14.446 -16.688 7.279 1.00 0.00 H new ATOM 1289 N GLY A 97 5.888 -14.649 4.902 1.00 0.00 N ATOM 1290 CA GLY A 97 4.447 -14.756 4.800 1.00 0.00 C ATOM 1291 C GLY A 97 3.721 -13.725 5.638 1.00 0.00 C ATOM 1292 O GLY A 97 2.529 -13.868 5.907 1.00 0.00 O ATOM 0 H GLY A 97 6.357 -14.396 4.032 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.152 -14.643 3.757 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.138 -15.754 5.112 1.00 0.00 H new ATOM 1296 N TYR A 98 4.432 -12.687 6.054 1.00 0.00 N ATOM 1297 CA TYR A 98 3.840 -11.647 6.868 1.00 0.00 C ATOM 1298 C TYR A 98 3.942 -10.314 6.152 1.00 0.00 C ATOM 1299 O TYR A 98 4.936 -10.035 5.478 1.00 0.00 O ATOM 1300 CB TYR A 98 4.540 -11.577 8.225 1.00 0.00 C ATOM 1301 CG TYR A 98 3.651 -11.076 9.336 1.00 0.00 C ATOM 1302 CD1 TYR A 98 2.463 -11.728 9.632 1.00 0.00 C ATOM 1303 CD2 TYR A 98 4.006 -9.972 10.098 1.00 0.00 C ATOM 1304 CE1 TYR A 98 1.651 -11.295 10.660 1.00 0.00 C ATOM 1305 CE2 TYR A 98 3.197 -9.529 11.128 1.00 0.00 C ATOM 1306 CZ TYR A 98 2.021 -10.195 11.406 1.00 0.00 C ATOM 1307 OH TYR A 98 1.214 -9.766 12.440 1.00 0.00 O ATOM 0 H TYR A 98 5.419 -12.547 5.839 1.00 0.00 H new ATOM 0 HA TYR A 98 2.788 -11.879 7.033 1.00 0.00 H new ATOM 0 HB2 TYR A 98 4.910 -12.569 8.486 1.00 0.00 H new ATOM 0 HB3 TYR A 98 5.409 -10.924 8.143 1.00 0.00 H new ATOM 0 HD1 TYR A 98 2.169 -12.588 9.049 1.00 0.00 H new ATOM 0 HD2 TYR A 98 4.928 -9.451 9.883 1.00 0.00 H new ATOM 0 HE1 TYR A 98 0.730 -11.815 10.880 1.00 0.00 H new ATOM 0 HE2 TYR A 98 3.484 -8.667 11.712 1.00 0.00 H new ATOM 0 HH TYR A 98 1.617 -8.981 12.866 1.00 0.00 H new ATOM 1316 N MET A 99 2.913 -9.497 6.299 1.00 0.00 N ATOM 1317 CA MET A 99 2.875 -8.195 5.654 1.00 0.00 C ATOM 1318 C MET A 99 3.842 -7.223 6.317 1.00 0.00 C ATOM 1319 O MET A 99 3.749 -6.948 7.513 1.00 0.00 O ATOM 1320 CB MET A 99 1.453 -7.616 5.662 1.00 0.00 C ATOM 1321 CG MET A 99 0.891 -7.291 7.043 1.00 0.00 C ATOM 1322 SD MET A 99 0.615 -8.749 8.069 1.00 0.00 S ATOM 1323 CE MET A 99 -0.192 -8.007 9.484 1.00 0.00 C ATOM 0 H MET A 99 2.090 -9.713 6.861 1.00 0.00 H new ATOM 0 HA MET A 99 3.185 -8.335 4.619 1.00 0.00 H new ATOM 0 HB2 MET A 99 1.445 -6.707 5.061 1.00 0.00 H new ATOM 0 HB3 MET A 99 0.786 -8.327 5.174 1.00 0.00 H new ATOM 0 HG2 MET A 99 1.578 -6.619 7.557 1.00 0.00 H new ATOM 0 HG3 MET A 99 -0.051 -6.755 6.926 1.00 0.00 H new ATOM 0 HE1 MET A 99 -0.429 -8.780 10.214 1.00 0.00 H new ATOM 0 HE2 MET A 99 0.472 -7.271 9.937 1.00 0.00 H new ATOM 0 HE3 MET A 99 -1.111 -7.517 9.163 1.00 0.00 H new ATOM 1331 N GLU A 100 4.776 -6.714 5.533 1.00 0.00 N ATOM 1332 CA GLU A 100 5.756 -5.761 6.027 1.00 0.00 C ATOM 1333 C GLU A 100 5.785 -4.521 5.144 1.00 0.00 C ATOM 1334 O GLU A 100 6.688 -4.342 4.328 1.00 0.00 O ATOM 1335 CB GLU A 100 7.135 -6.408 6.100 1.00 0.00 C ATOM 1336 CG GLU A 100 7.313 -7.280 7.325 1.00 0.00 C ATOM 1337 CD GLU A 100 7.309 -6.471 8.603 1.00 0.00 C ATOM 1338 OE1 GLU A 100 8.349 -5.859 8.925 1.00 0.00 O ATOM 1339 OE2 GLU A 100 6.272 -6.433 9.288 1.00 0.00 O ATOM 0 H GLU A 100 4.877 -6.946 4.545 1.00 0.00 H new ATOM 0 HA GLU A 100 5.469 -5.455 7.033 1.00 0.00 H new ATOM 0 HB2 GLU A 100 7.296 -7.010 5.206 1.00 0.00 H new ATOM 0 HB3 GLU A 100 7.897 -5.628 6.101 1.00 0.00 H new ATOM 0 HG2 GLU A 100 6.514 -8.020 7.362 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.252 -7.828 7.246 1.00 0.00 H new ATOM 1344 N PRO A 101 4.772 -3.661 5.288 1.00 0.00 N ATOM 1345 CA PRO A 101 4.658 -2.427 4.509 1.00 0.00 C ATOM 1346 C PRO A 101 5.670 -1.372 4.941 1.00 0.00 C ATOM 1347 O PRO A 101 5.519 -0.729 5.981 1.00 0.00 O ATOM 1348 CB PRO A 101 3.231 -1.961 4.792 1.00 0.00 C ATOM 1349 CG PRO A 101 2.898 -2.539 6.122 1.00 0.00 C ATOM 1350 CD PRO A 101 3.656 -3.828 6.232 1.00 0.00 C ATOM 0 HA PRO A 101 4.861 -2.590 3.451 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.166 -0.873 4.806 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.541 -2.312 4.025 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.179 -1.855 6.923 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.825 -2.712 6.212 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.013 -3.996 7.248 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.033 -4.682 5.968 1.00 0.00 H new ATOM 1355 N CYS A 102 6.707 -1.208 4.142 1.00 0.00 N ATOM 1356 CA CYS A 102 7.742 -0.236 4.433 1.00 0.00 C ATOM 1357 C CYS A 102 7.512 1.049 3.645 1.00 0.00 C ATOM 1358 O CYS A 102 7.666 1.075 2.427 1.00 0.00 O ATOM 1359 CB CYS A 102 9.112 -0.826 4.093 1.00 0.00 C ATOM 1360 SG CYS A 102 9.030 -2.431 3.225 1.00 0.00 S ATOM 0 H CYS A 102 6.855 -1.738 3.283 1.00 0.00 H new ATOM 0 HA CYS A 102 7.707 0.005 5.495 1.00 0.00 H new ATOM 0 HB2 CYS A 102 9.659 -0.116 3.473 1.00 0.00 H new ATOM 0 HB3 CYS A 102 9.682 -0.950 5.014 1.00 0.00 H new