USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=29 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 86 MET CE :methyl -158:sc= -4.31! (180deg=-5.61!) USER MOD Set 1.2: A 90 TYR OH : rot -168:sc= -0.0189 USER MOD Set 2.1: A 68 HIS :FLIP no HE2:sc= -0.752! C(o=-4.5!,f=0.53!) USER MOD Set 2.2: A 69 THR OG1 : rot -81:sc= 1.28 USER MOD Set 3.1: A 38 ASN : amide:sc= 0 X(o=0,f=-0.096) USER MOD Set 3.2: A 57 SER OG : rot -170:sc= 0 USER MOD Set 4.1: A 4 ASN : amide:sc= -0.59 K(o=-1.1,f=-3.6!) USER MOD Set 4.2: A 7 ASN : amide:sc= -0.211 K(o=-1.1,f=-2.8) USER MOD Set 4.3: A 89 ASN : amide:sc= -0.295 X(o=-1.1,f=-1.1) 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= 0.782 K(o=0.78,f=-8.3!) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 31 HIS : no HE2:sc= 1.11 K(o=1.1,f=-4.6!) USER MOD Single : A 33 THR OG1 : rot 110:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN :FLIP amide:sc= -1.86! C(o=-5.6!,f=-1.9!) 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= -0.34 K(o=-0.34,f=-6.8!) USER MOD Single : A 45 ASN : amide:sc= -5.15! C(o=-5.2!,f=-7.4!) 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 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -136:sc= 0.492 (180deg=-0.738) USER MOD Single : A 62 THR OG1 : rot -162:sc= 0.0717 USER MOD Single : A 65 ASN :FLIP amide:sc= -0.0888 F(o=-1.6!,f=-0.089) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -108:sc= -0.266! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot -90:sc= -1.7 USER MOD Single : A 85 SER OG : rot 180:sc=-0.00253 USER MOD Single : A 94 ASN : amide:sc= -1.49! K(o=-1.5!,f=-4.2) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 33 N CYS A 3 11.459 -4.521 -0.998 1.00 0.00 N ATOM 34 CA CYS A 3 10.326 -5.076 -0.276 1.00 0.00 C ATOM 35 C CYS A 3 9.457 -5.885 -1.236 1.00 0.00 C ATOM 36 O CYS A 3 9.356 -7.105 -1.105 1.00 0.00 O ATOM 37 CB CYS A 3 9.531 -3.948 0.383 1.00 0.00 C ATOM 38 SG CYS A 3 10.474 -3.012 1.631 1.00 0.00 S ATOM 0 HA CYS A 3 10.677 -5.744 0.511 1.00 0.00 H new ATOM 0 HB2 CYS A 3 9.187 -3.260 -0.389 1.00 0.00 H new ATOM 0 HB3 CYS A 3 8.643 -4.369 0.854 1.00 0.00 H new ATOM 42 N ASN A 4 8.838 -5.187 -2.192 1.00 0.00 N ATOM 43 CA ASN A 4 8.008 -5.801 -3.236 1.00 0.00 C ATOM 44 C ASN A 4 7.084 -6.901 -2.710 1.00 0.00 C ATOM 45 O ASN A 4 7.383 -8.087 -2.866 1.00 0.00 O ATOM 46 CB ASN A 4 8.904 -6.400 -4.329 1.00 0.00 C ATOM 47 CG ASN A 4 9.804 -5.386 -5.013 1.00 0.00 C ATOM 48 OD1 ASN A 4 10.224 -4.396 -4.417 1.00 0.00 O ATOM 49 ND2 ASN A 4 10.117 -5.637 -6.276 1.00 0.00 N ATOM 0 H ASN A 4 8.898 -4.171 -2.265 1.00 0.00 H new ATOM 0 HA ASN A 4 7.379 -5.003 -3.632 1.00 0.00 H new ATOM 0 HB2 ASN A 4 9.523 -7.182 -3.889 1.00 0.00 H new ATOM 0 HB3 ASN A 4 8.274 -6.877 -5.080 1.00 0.00 H new ATOM 0 HD21 ASN A 4 10.726 -4.998 -6.787 1.00 0.00 H new ATOM 0 HD22 ASN A 4 9.749 -6.469 -6.737 1.00 0.00 H new ATOM 55 N PHE A 5 5.953 -6.528 -2.108 1.00 0.00 N ATOM 56 CA PHE A 5 5.009 -7.529 -1.598 1.00 0.00 C ATOM 57 C PHE A 5 4.524 -8.440 -2.731 1.00 0.00 C ATOM 58 O PHE A 5 4.324 -9.637 -2.544 1.00 0.00 O ATOM 59 CB PHE A 5 3.810 -6.849 -0.917 1.00 0.00 C ATOM 60 CG PHE A 5 2.813 -6.238 -1.867 1.00 0.00 C ATOM 61 CD1 PHE A 5 3.174 -5.202 -2.714 1.00 0.00 C ATOM 62 CD2 PHE A 5 1.508 -6.705 -1.904 1.00 0.00 C ATOM 63 CE1 PHE A 5 2.254 -4.646 -3.580 1.00 0.00 C ATOM 64 CE2 PHE A 5 0.584 -6.152 -2.768 1.00 0.00 C ATOM 65 CZ PHE A 5 0.958 -5.121 -3.608 1.00 0.00 C ATOM 0 H PHE A 5 5.670 -5.559 -1.962 1.00 0.00 H new ATOM 0 HA PHE A 5 5.529 -8.138 -0.859 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.297 -7.583 -0.296 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.181 -6.071 -0.250 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.186 -4.826 -2.696 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.211 -7.511 -1.249 1.00 0.00 H new ATOM 0 HE1 PHE A 5 2.548 -3.840 -4.235 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.429 -6.525 -2.787 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.238 -4.687 -4.286 1.00 0.00 H new ATOM 74 N ALA A 6 4.387 -7.858 -3.918 1.00 0.00 N ATOM 75 CA ALA A 6 3.913 -8.573 -5.098 1.00 0.00 C ATOM 76 C ALA A 6 4.872 -9.679 -5.537 1.00 0.00 C ATOM 77 O ALA A 6 4.468 -10.615 -6.229 1.00 0.00 O ATOM 78 CB ALA A 6 3.697 -7.592 -6.232 1.00 0.00 C ATOM 0 H ALA A 6 4.602 -6.876 -4.089 1.00 0.00 H new ATOM 0 HA ALA A 6 2.971 -9.054 -4.834 1.00 0.00 H new ATOM 0 HB1 ALA A 6 3.343 -8.127 -7.113 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.955 -6.850 -5.935 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.637 -7.092 -6.465 1.00 0.00 H new ATOM 84 N ASN A 7 6.134 -9.571 -5.133 1.00 0.00 N ATOM 85 CA ASN A 7 7.149 -10.562 -5.498 1.00 0.00 C ATOM 86 C ASN A 7 6.847 -11.928 -4.897 1.00 0.00 C ATOM 87 O ASN A 7 7.386 -12.941 -5.339 1.00 0.00 O ATOM 88 CB ASN A 7 8.542 -10.112 -5.052 1.00 0.00 C ATOM 89 CG ASN A 7 9.254 -9.258 -6.085 1.00 0.00 C ATOM 90 OD1 ASN A 7 8.626 -8.543 -6.867 1.00 0.00 O ATOM 91 ND2 ASN A 7 10.575 -9.318 -6.084 1.00 0.00 N ATOM 0 H ASN A 7 6.482 -8.808 -4.552 1.00 0.00 H new ATOM 0 HA ASN A 7 7.127 -10.647 -6.584 1.00 0.00 H new ATOM 0 HB2 ASN A 7 8.455 -9.549 -4.123 1.00 0.00 H new ATOM 0 HB3 ASN A 7 9.149 -10.991 -4.836 1.00 0.00 H new ATOM 0 HD21 ASN A 7 11.111 -8.759 -6.748 1.00 0.00 H new ATOM 0 HD22 ASN A 7 11.058 -9.923 -5.420 1.00 0.00 H new ATOM 97 N SER A 8 6.007 -11.963 -3.875 1.00 0.00 N ATOM 98 CA SER A 8 5.660 -13.222 -3.242 1.00 0.00 C ATOM 99 C SER A 8 4.193 -13.252 -2.822 1.00 0.00 C ATOM 100 O SER A 8 3.798 -14.079 -2.005 1.00 0.00 O ATOM 101 CB SER A 8 6.566 -13.462 -2.034 1.00 0.00 C ATOM 102 OG SER A 8 7.927 -13.488 -2.424 1.00 0.00 O ATOM 0 H SER A 8 5.557 -11.142 -3.470 1.00 0.00 H new ATOM 0 HA SER A 8 5.810 -14.020 -3.969 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.410 -12.676 -1.295 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.302 -14.406 -1.557 1.00 0.00 H new ATOM 0 HG SER A 8 8.490 -13.641 -1.637 1.00 0.00 H new ATOM 107 N CYS A 9 3.386 -12.365 -3.396 1.00 0.00 N ATOM 108 CA CYS A 9 1.966 -12.309 -3.065 1.00 0.00 C ATOM 109 C CYS A 9 1.116 -12.597 -4.287 1.00 0.00 C ATOM 110 O CYS A 9 1.384 -12.092 -5.376 1.00 0.00 O ATOM 111 CB CYS A 9 1.581 -10.948 -2.480 1.00 0.00 C ATOM 112 SG CYS A 9 1.198 -10.986 -0.696 1.00 0.00 S ATOM 0 H CYS A 9 3.688 -11.679 -4.088 1.00 0.00 H new ATOM 0 HA CYS A 9 1.780 -13.074 -2.312 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.398 -10.247 -2.651 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.714 -10.565 -3.019 1.00 0.00 H new ATOM 116 N THR A 10 0.094 -13.415 -4.097 1.00 0.00 N ATOM 117 CA THR A 10 -0.805 -13.782 -5.174 1.00 0.00 C ATOM 118 C THR A 10 -2.255 -13.677 -4.720 1.00 0.00 C ATOM 119 O THR A 10 -2.539 -13.779 -3.523 1.00 0.00 O ATOM 120 CB THR A 10 -0.525 -15.216 -5.665 1.00 0.00 C ATOM 121 OG1 THR A 10 -0.421 -16.108 -4.544 1.00 0.00 O ATOM 122 CG2 THR A 10 0.756 -15.268 -6.480 1.00 0.00 C ATOM 0 H THR A 10 -0.133 -13.840 -3.198 1.00 0.00 H new ATOM 0 HA THR A 10 -0.634 -13.089 -5.997 1.00 0.00 H new ATOM 0 HB THR A 10 -1.354 -15.527 -6.301 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.245 -17.017 -4.865 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.933 -16.290 -6.815 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.663 -14.613 -7.346 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.593 -14.939 -5.864 1.00 0.00 H new ATOM 130 N GLY A 11 -3.156 -13.460 -5.672 1.00 0.00 N ATOM 131 CA GLY A 11 -4.571 -13.348 -5.358 1.00 0.00 C ATOM 132 C GLY A 11 -4.857 -12.219 -4.390 1.00 0.00 C ATOM 133 O GLY A 11 -5.360 -12.445 -3.289 1.00 0.00 O ATOM 0 H GLY A 11 -2.931 -13.359 -6.662 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.133 -13.186 -6.278 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.922 -14.288 -4.931 1.00 0.00 H new ATOM 137 N VAL A 12 -4.547 -11.003 -4.805 1.00 0.00 N ATOM 138 CA VAL A 12 -4.749 -9.834 -3.963 1.00 0.00 C ATOM 139 C VAL A 12 -6.102 -9.182 -4.223 1.00 0.00 C ATOM 140 O VAL A 12 -6.599 -9.167 -5.350 1.00 0.00 O ATOM 141 CB VAL A 12 -3.626 -8.793 -4.157 1.00 0.00 C ATOM 142 CG1 VAL A 12 -2.284 -9.376 -3.743 1.00 0.00 C ATOM 143 CG2 VAL A 12 -3.575 -8.306 -5.597 1.00 0.00 C ATOM 0 H VAL A 12 -4.153 -10.798 -5.723 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.724 -10.186 -2.932 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.845 -7.936 -3.520 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.503 -8.629 -3.886 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.321 -9.665 -2.693 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.064 -10.252 -4.353 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.775 -7.574 -5.705 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.386 -9.150 -6.260 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.527 -7.845 -5.859 1.00 0.00 H new ATOM 153 N GLU A 13 -6.698 -8.662 -3.164 1.00 0.00 N ATOM 154 CA GLU A 13 -7.987 -7.996 -3.246 1.00 0.00 C ATOM 155 C GLU A 13 -7.957 -6.711 -2.432 1.00 0.00 C ATOM 156 O GLU A 13 -7.430 -6.694 -1.319 1.00 0.00 O ATOM 157 CB GLU A 13 -9.095 -8.917 -2.728 1.00 0.00 C ATOM 158 CG GLU A 13 -10.482 -8.294 -2.775 1.00 0.00 C ATOM 159 CD GLU A 13 -11.558 -9.238 -2.286 1.00 0.00 C ATOM 160 OE1 GLU A 13 -11.825 -9.264 -1.070 1.00 0.00 O ATOM 161 OE2 GLU A 13 -12.145 -9.959 -3.122 1.00 0.00 O ATOM 0 H GLU A 13 -6.303 -8.689 -2.224 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.192 -7.755 -4.289 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.098 -9.834 -3.318 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.869 -9.200 -1.700 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.492 -7.390 -2.166 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -10.706 -7.991 -3.798 1.00 0.00 H new ATOM 166 N LEU A 14 -8.512 -5.641 -2.987 1.00 0.00 N ATOM 167 CA LEU A 14 -8.545 -4.362 -2.299 1.00 0.00 C ATOM 168 C LEU A 14 -9.977 -3.866 -2.150 1.00 0.00 C ATOM 169 O LEU A 14 -10.683 -3.666 -3.136 1.00 0.00 O ATOM 170 CB LEU A 14 -7.700 -3.328 -3.045 1.00 0.00 C ATOM 171 CG LEU A 14 -7.710 -1.916 -2.451 1.00 0.00 C ATOM 172 CD1 LEU A 14 -7.320 -1.940 -0.982 1.00 0.00 C ATOM 173 CD2 LEU A 14 -6.769 -1.026 -3.221 1.00 0.00 C ATOM 0 H LEU A 14 -8.944 -5.636 -3.911 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.124 -4.502 -1.303 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.670 -3.682 -3.078 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.051 -3.272 -4.075 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.723 -1.520 -2.528 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.335 -0.925 -0.585 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.027 -2.557 -0.428 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.318 -2.355 -0.878 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.783 -0.024 -2.792 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.758 -1.431 -3.166 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.084 -0.978 -4.263 1.00 0.00 H new ATOM 184 N TYR A 15 -10.396 -3.685 -0.910 1.00 0.00 N ATOM 185 CA TYR A 15 -11.734 -3.204 -0.611 1.00 0.00 C ATOM 186 C TYR A 15 -11.660 -2.006 0.330 1.00 0.00 C ATOM 187 O TYR A 15 -11.304 -2.146 1.501 1.00 0.00 O ATOM 188 CB TYR A 15 -12.576 -4.328 0.005 1.00 0.00 C ATOM 189 CG TYR A 15 -13.869 -3.860 0.639 1.00 0.00 C ATOM 190 CD1 TYR A 15 -14.865 -3.252 -0.118 1.00 0.00 C ATOM 191 CD2 TYR A 15 -14.088 -4.027 1.999 1.00 0.00 C ATOM 192 CE1 TYR A 15 -16.041 -2.823 0.468 1.00 0.00 C ATOM 193 CE2 TYR A 15 -15.260 -3.603 2.590 1.00 0.00 C ATOM 194 CZ TYR A 15 -16.232 -3.001 1.824 1.00 0.00 C ATOM 195 OH TYR A 15 -17.399 -2.577 2.417 1.00 0.00 O ATOM 0 H TYR A 15 -9.823 -3.866 -0.086 1.00 0.00 H new ATOM 0 HA TYR A 15 -12.213 -2.887 -1.537 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -12.808 -5.059 -0.770 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -11.980 -4.841 0.759 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -14.717 -3.113 -1.179 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -13.328 -4.497 2.605 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -16.806 -2.351 -0.131 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -15.414 -3.743 3.650 1.00 0.00 H new ATOM 0 HH TYR A 15 -17.371 -2.780 3.375 1.00 0.00 H new ATOM 204 N GLY A 16 -11.974 -0.826 -0.189 1.00 0.00 N ATOM 205 CA GLY A 16 -11.940 0.382 0.615 1.00 0.00 C ATOM 206 C GLY A 16 -10.526 0.843 0.925 1.00 0.00 C ATOM 207 O GLY A 16 -10.090 1.893 0.458 1.00 0.00 O ATOM 0 H GLY A 16 -12.254 -0.683 -1.159 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.470 1.177 0.090 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.473 0.206 1.549 1.00 0.00 H new ATOM 211 N TYR A 17 -9.820 0.052 1.719 1.00 0.00 N ATOM 212 CA TYR A 17 -8.450 0.352 2.117 1.00 0.00 C ATOM 213 C TYR A 17 -7.774 -0.889 2.701 1.00 0.00 C ATOM 214 O TYR A 17 -6.772 -0.785 3.415 1.00 0.00 O ATOM 215 CB TYR A 17 -8.424 1.498 3.140 1.00 0.00 C ATOM 216 CG TYR A 17 -9.272 1.255 4.377 1.00 0.00 C ATOM 217 CD1 TYR A 17 -10.621 1.590 4.395 1.00 0.00 C ATOM 218 CD2 TYR A 17 -8.722 0.700 5.525 1.00 0.00 C ATOM 219 CE1 TYR A 17 -11.395 1.376 5.519 1.00 0.00 C ATOM 220 CE2 TYR A 17 -9.489 0.484 6.654 1.00 0.00 C ATOM 221 CZ TYR A 17 -10.825 0.825 6.645 1.00 0.00 C ATOM 222 OH TYR A 17 -11.593 0.613 7.769 1.00 0.00 O ATOM 0 H TYR A 17 -10.181 -0.819 2.107 1.00 0.00 H new ATOM 0 HA TYR A 17 -7.899 0.663 1.229 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -7.393 1.669 3.449 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -8.767 2.411 2.653 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -11.072 2.025 3.515 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -7.676 0.432 5.536 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -12.442 1.640 5.515 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.045 0.051 7.538 1.00 0.00 H new ATOM 0 HH TYR A 17 -11.039 0.217 8.474 1.00 0.00 H new ATOM 231 N ILE A 18 -8.316 -2.061 2.393 1.00 0.00 N ATOM 232 CA ILE A 18 -7.763 -3.307 2.901 1.00 0.00 C ATOM 233 C ILE A 18 -7.275 -4.183 1.754 1.00 0.00 C ATOM 234 O ILE A 18 -8.028 -4.500 0.833 1.00 0.00 O ATOM 235 CB ILE A 18 -8.779 -4.101 3.763 1.00 0.00 C ATOM 236 CG1 ILE A 18 -10.021 -4.493 2.954 1.00 0.00 C ATOM 237 CG2 ILE A 18 -9.185 -3.288 4.983 1.00 0.00 C ATOM 238 CD1 ILE A 18 -10.991 -5.376 3.713 1.00 0.00 C ATOM 0 H ILE A 18 -9.135 -2.173 1.796 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.924 -3.037 3.542 1.00 0.00 H new ATOM 0 HB ILE A 18 -8.289 -5.018 4.090 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -10.539 -3.587 2.639 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -9.705 -5.011 2.048 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -9.898 -3.857 5.579 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -8.303 -3.069 5.585 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -9.645 -2.354 4.661 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -11.844 -5.611 3.076 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.491 -6.299 4.005 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -11.337 -4.853 4.605 1.00 0.00 H new ATOM 249 N LEU A 19 -6.004 -4.538 1.797 1.00 0.00 N ATOM 250 CA LEU A 19 -5.413 -5.380 0.773 1.00 0.00 C ATOM 251 C LEU A 19 -5.122 -6.750 1.342 1.00 0.00 C ATOM 252 O LEU A 19 -4.293 -6.890 2.232 1.00 0.00 O ATOM 253 CB LEU A 19 -4.118 -4.764 0.257 1.00 0.00 C ATOM 254 CG LEU A 19 -4.106 -4.393 -1.223 1.00 0.00 C ATOM 255 CD1 LEU A 19 -2.789 -3.723 -1.576 1.00 0.00 C ATOM 256 CD2 LEU A 19 -4.334 -5.628 -2.084 1.00 0.00 C ATOM 0 H LEU A 19 -5.358 -4.255 2.534 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.119 -5.467 -0.053 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.906 -3.867 0.839 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.304 -5.465 0.444 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.917 -3.692 -1.420 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.786 -3.460 -2.634 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.668 -2.820 -0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.966 -4.407 -1.370 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.322 -5.345 -3.137 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.544 -6.354 -1.895 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.299 -6.070 -1.838 1.00 0.00 H new ATOM 267 N ARG A 20 -5.798 -7.758 0.844 1.00 0.00 N ATOM 268 CA ARG A 20 -5.578 -9.102 1.324 1.00 0.00 C ATOM 269 C ARG A 20 -5.018 -9.957 0.209 1.00 0.00 C ATOM 270 O ARG A 20 -5.419 -9.818 -0.945 1.00 0.00 O ATOM 271 CB ARG A 20 -6.873 -9.719 1.837 1.00 0.00 C ATOM 272 CG ARG A 20 -6.654 -10.988 2.645 1.00 0.00 C ATOM 273 CD ARG A 20 -7.697 -12.036 2.306 1.00 0.00 C ATOM 274 NE ARG A 20 -7.853 -13.018 3.379 1.00 0.00 N ATOM 275 CZ ARG A 20 -8.861 -13.013 4.253 1.00 0.00 C ATOM 276 NH1 ARG A 20 -9.803 -12.081 4.185 1.00 0.00 N ATOM 277 NH2 ARG A 20 -8.935 -13.942 5.196 1.00 0.00 N ATOM 0 H ARG A 20 -6.502 -7.674 0.110 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.867 -9.058 2.149 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.396 -8.989 2.455 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.522 -9.943 0.990 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.658 -11.383 2.445 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.698 -10.758 3.709 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.654 -11.549 2.118 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.413 -12.546 1.386 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.149 -13.751 3.464 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.759 -11.363 3.462 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.571 -12.082 4.856 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.219 -14.666 5.256 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.708 -13.933 5.861 1.00 0.00 H new ATOM 288 N GLY A 21 -4.087 -10.818 0.550 1.00 0.00 N ATOM 289 CA GLY A 21 -3.501 -11.691 -0.436 1.00 0.00 C ATOM 290 C GLY A 21 -2.700 -12.804 0.194 1.00 0.00 C ATOM 291 O GLY A 21 -2.556 -12.857 1.415 1.00 0.00 O ATOM 0 H GLY A 21 -3.722 -10.931 1.496 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.290 -12.118 -1.055 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.857 -11.110 -1.096 1.00 0.00 H new ATOM 295 N ASP A 22 -2.182 -13.691 -0.635 1.00 0.00 N ATOM 296 CA ASP A 22 -1.396 -14.814 -0.153 1.00 0.00 C ATOM 297 C ASP A 22 0.079 -14.580 -0.418 1.00 0.00 C ATOM 298 O ASP A 22 0.525 -14.621 -1.567 1.00 0.00 O ATOM 299 CB ASP A 22 -1.841 -16.109 -0.836 1.00 0.00 C ATOM 300 CG ASP A 22 -3.223 -16.560 -0.406 1.00 0.00 C ATOM 301 OD1 ASP A 22 -4.222 -15.933 -0.823 1.00 0.00 O ATOM 302 OD2 ASP A 22 -3.317 -17.556 0.338 1.00 0.00 O ATOM 0 H ASP A 22 -2.291 -13.656 -1.649 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.555 -14.905 0.922 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.831 -15.965 -1.916 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.122 -16.897 -0.613 1.00 0.00 H new ATOM 306 N CYS A 23 0.834 -14.332 0.641 1.00 0.00 N ATOM 307 CA CYS A 23 2.263 -14.095 0.516 1.00 0.00 C ATOM 308 C CYS A 23 3.048 -15.290 1.044 1.00 0.00 C ATOM 309 O CYS A 23 2.778 -15.792 2.131 1.00 0.00 O ATOM 310 CB CYS A 23 2.661 -12.819 1.264 1.00 0.00 C ATOM 311 SG CYS A 23 2.984 -11.383 0.180 1.00 0.00 S ATOM 0 H CYS A 23 0.480 -14.290 1.597 1.00 0.00 H new ATOM 0 HA CYS A 23 2.501 -13.964 -0.540 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.867 -12.560 1.964 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.554 -13.022 1.855 1.00 0.00 H new ATOM 315 N ILE A 24 4.032 -15.727 0.270 1.00 0.00 N ATOM 316 CA ILE A 24 4.854 -16.882 0.625 1.00 0.00 C ATOM 317 C ILE A 24 5.724 -16.594 1.846 1.00 0.00 C ATOM 318 O ILE A 24 6.317 -15.526 1.956 1.00 0.00 O ATOM 319 CB ILE A 24 5.754 -17.297 -0.561 1.00 0.00 C ATOM 320 CG1 ILE A 24 4.892 -17.602 -1.790 1.00 0.00 C ATOM 321 CG2 ILE A 24 6.618 -18.494 -0.197 1.00 0.00 C ATOM 322 CD1 ILE A 24 5.685 -18.022 -3.008 1.00 0.00 C ATOM 0 H ILE A 24 4.284 -15.295 -0.619 1.00 0.00 H new ATOM 0 HA ILE A 24 4.175 -17.700 0.867 1.00 0.00 H new ATOM 0 HB ILE A 24 6.420 -16.467 -0.797 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.186 -18.393 -1.538 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.305 -16.718 -2.038 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.241 -18.765 -1.049 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.254 -18.240 0.651 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.979 -19.337 0.068 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.004 -18.220 -3.835 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.373 -17.224 -3.287 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.251 -18.925 -2.780 1.00 0.00 H new ATOM 333 N ASN A 25 5.788 -17.547 2.765 1.00 0.00 N ATOM 334 CA ASN A 25 6.593 -17.382 3.967 1.00 0.00 C ATOM 335 C ASN A 25 7.882 -18.188 3.852 1.00 0.00 C ATOM 336 O ASN A 25 8.147 -18.772 2.800 1.00 0.00 O ATOM 337 CB ASN A 25 5.799 -17.782 5.222 1.00 0.00 C ATOM 338 CG ASN A 25 5.702 -19.280 5.438 1.00 0.00 C ATOM 339 OD1 ASN A 25 6.505 -19.866 6.158 1.00 0.00 O ATOM 340 ND2 ASN A 25 4.724 -19.910 4.813 1.00 0.00 N ATOM 0 H ASN A 25 5.295 -18.438 2.702 1.00 0.00 H new ATOM 0 HA ASN A 25 6.854 -16.328 4.066 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.267 -17.329 6.096 1.00 0.00 H new ATOM 0 HB3 ASN A 25 4.793 -17.370 5.150 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.616 -20.919 4.920 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.076 -19.388 4.223 1.00 0.00 H new ATOM 346 N GLU A 26 8.668 -18.236 4.925 1.00 0.00 N ATOM 347 CA GLU A 26 9.940 -18.965 4.931 1.00 0.00 C ATOM 348 C GLU A 26 9.763 -20.429 4.510 1.00 0.00 C ATOM 349 O GLU A 26 10.670 -21.034 3.932 1.00 0.00 O ATOM 350 CB GLU A 26 10.566 -18.896 6.326 1.00 0.00 C ATOM 351 CG GLU A 26 9.685 -19.488 7.417 1.00 0.00 C ATOM 352 CD GLU A 26 10.316 -19.406 8.789 1.00 0.00 C ATOM 353 OE1 GLU A 26 11.367 -20.044 9.001 1.00 0.00 O ATOM 354 OE2 GLU A 26 9.754 -18.720 9.666 1.00 0.00 O ATOM 0 H GLU A 26 8.447 -17.776 5.808 1.00 0.00 H new ATOM 0 HA GLU A 26 10.600 -18.491 4.204 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.520 -19.424 6.314 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.781 -17.855 6.568 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.729 -18.964 7.430 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.474 -20.531 7.181 1.00 0.00 H new ATOM 359 N ASP A 27 8.589 -20.981 4.794 1.00 0.00 N ATOM 360 CA ASP A 27 8.268 -22.367 4.465 1.00 0.00 C ATOM 361 C ASP A 27 8.235 -22.599 2.957 1.00 0.00 C ATOM 362 O ASP A 27 8.461 -23.714 2.483 1.00 0.00 O ATOM 363 CB ASP A 27 6.915 -22.740 5.072 1.00 0.00 C ATOM 364 CG ASP A 27 6.603 -24.214 4.940 1.00 0.00 C ATOM 365 OD1 ASP A 27 7.178 -25.015 5.701 1.00 0.00 O ATOM 366 OD2 ASP A 27 5.776 -24.578 4.077 1.00 0.00 O ATOM 0 H ASP A 27 7.831 -20.481 5.259 1.00 0.00 H new ATOM 0 HA ASP A 27 9.052 -22.999 4.883 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.906 -22.464 6.126 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.131 -22.162 4.584 1.00 0.00 H new ATOM 370 N GLY A 28 7.963 -21.545 2.201 1.00 0.00 N ATOM 371 CA GLY A 28 7.902 -21.671 0.758 1.00 0.00 C ATOM 372 C GLY A 28 6.476 -21.759 0.262 1.00 0.00 C ATOM 373 O GLY A 28 6.222 -21.781 -0.941 1.00 0.00 O ATOM 0 H GLY A 28 7.784 -20.607 2.559 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.395 -20.815 0.297 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.451 -22.560 0.447 1.00 0.00 H new ATOM 377 N HIS A 29 5.543 -21.800 1.200 1.00 0.00 N ATOM 378 CA HIS A 29 4.126 -21.872 0.873 1.00 0.00 C ATOM 379 C HIS A 29 3.455 -20.531 1.150 1.00 0.00 C ATOM 380 O HIS A 29 3.838 -19.815 2.080 1.00 0.00 O ATOM 381 CB HIS A 29 3.439 -22.981 1.677 1.00 0.00 C ATOM 382 CG HIS A 29 3.697 -24.362 1.149 1.00 0.00 C ATOM 383 ND1 HIS A 29 2.735 -25.108 0.501 1.00 0.00 N ATOM 384 CD2 HIS A 29 4.806 -25.138 1.188 1.00 0.00 C ATOM 385 CE1 HIS A 29 3.243 -26.279 0.163 1.00 0.00 C ATOM 386 NE2 HIS A 29 4.497 -26.322 0.567 1.00 0.00 N ATOM 0 H HIS A 29 5.743 -21.785 2.200 1.00 0.00 H new ATOM 0 HA HIS A 29 4.029 -22.106 -0.187 1.00 0.00 H new ATOM 0 HB2 HIS A 29 3.777 -22.929 2.712 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.364 -22.800 1.683 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.757 -24.874 1.626 1.00 0.00 H new ATOM 0 HE1 HIS A 29 2.720 -27.068 -0.357 1.00 0.00 H new ATOM 0 HE2 HIS A 29 5.134 -27.108 0.439 1.00 0.00 H new ATOM 394 N PRO A 30 2.466 -20.163 0.321 1.00 0.00 N ATOM 395 CA PRO A 30 1.733 -18.901 0.466 1.00 0.00 C ATOM 396 C PRO A 30 0.892 -18.849 1.740 1.00 0.00 C ATOM 397 O PRO A 30 0.190 -19.800 2.078 1.00 0.00 O ATOM 398 CB PRO A 30 0.831 -18.860 -0.773 1.00 0.00 C ATOM 399 CG PRO A 30 0.692 -20.281 -1.195 1.00 0.00 C ATOM 400 CD PRO A 30 1.991 -20.944 -0.839 1.00 0.00 C ATOM 0 HA PRO A 30 2.412 -18.052 0.543 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.139 -18.420 -0.541 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.274 -18.255 -1.564 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.144 -20.760 -0.685 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.497 -20.354 -2.265 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.850 -21.995 -0.586 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.701 -20.908 -1.666 1.00 0.00 H new ATOM 405 N HIS A 31 0.985 -17.732 2.438 1.00 0.00 N ATOM 406 CA HIS A 31 0.253 -17.513 3.672 1.00 0.00 C ATOM 407 C HIS A 31 -0.606 -16.263 3.533 1.00 0.00 C ATOM 408 O HIS A 31 -0.101 -15.184 3.217 1.00 0.00 O ATOM 409 CB HIS A 31 1.233 -17.364 4.842 1.00 0.00 C ATOM 410 CG HIS A 31 0.582 -17.086 6.164 1.00 0.00 C ATOM 411 ND1 HIS A 31 0.659 -15.862 6.794 1.00 0.00 N ATOM 412 CD2 HIS A 31 -0.146 -17.881 6.982 1.00 0.00 C ATOM 413 CE1 HIS A 31 0.006 -15.917 7.938 1.00 0.00 C ATOM 414 NE2 HIS A 31 -0.492 -17.129 8.078 1.00 0.00 N ATOM 0 H HIS A 31 1.574 -16.946 2.163 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.393 -18.368 3.871 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.822 -18.278 4.926 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.929 -16.556 4.616 1.00 0.00 H new ATOM 0 HD1 HIS A 31 1.145 -15.042 6.432 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -0.406 -18.914 6.806 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -0.103 -15.105 8.642 1.00 0.00 H new ATOM 422 N ALA A 32 -1.900 -16.422 3.752 1.00 0.00 N ATOM 423 CA ALA A 32 -2.844 -15.316 3.648 1.00 0.00 C ATOM 424 C ALA A 32 -2.540 -14.216 4.660 1.00 0.00 C ATOM 425 O ALA A 32 -2.345 -14.476 5.849 1.00 0.00 O ATOM 426 CB ALA A 32 -4.266 -15.820 3.826 1.00 0.00 C ATOM 0 H ALA A 32 -2.326 -17.313 4.005 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.740 -14.885 2.652 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.961 -14.984 3.746 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.491 -16.554 3.053 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.368 -16.284 4.807 1.00 0.00 H new ATOM 432 N THR A 33 -2.480 -12.990 4.169 1.00 0.00 N ATOM 433 CA THR A 33 -2.213 -11.832 5.001 1.00 0.00 C ATOM 434 C THR A 33 -3.022 -10.641 4.491 1.00 0.00 C ATOM 435 O THR A 33 -3.552 -10.679 3.377 1.00 0.00 O ATOM 436 CB THR A 33 -0.706 -11.492 5.008 1.00 0.00 C ATOM 437 OG1 THR A 33 -0.410 -10.560 6.058 1.00 0.00 O ATOM 438 CG2 THR A 33 -0.278 -10.916 3.666 1.00 0.00 C ATOM 0 H THR A 33 -2.615 -12.771 3.182 1.00 0.00 H new ATOM 0 HA THR A 33 -2.510 -12.061 6.025 1.00 0.00 H new ATOM 0 HB THR A 33 -0.150 -12.413 5.184 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.107 -11.010 6.759 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.787 -10.684 3.693 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.471 -11.645 2.879 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.843 -10.006 3.464 1.00 0.00 H new ATOM 446 N SER A 34 -3.135 -9.602 5.303 1.00 0.00 N ATOM 447 CA SER A 34 -3.883 -8.422 4.916 1.00 0.00 C ATOM 448 C SER A 34 -3.177 -7.166 5.381 1.00 0.00 C ATOM 449 O SER A 34 -2.671 -7.118 6.500 1.00 0.00 O ATOM 450 CB SER A 34 -5.283 -8.478 5.507 1.00 0.00 C ATOM 451 OG SER A 34 -5.244 -8.568 6.923 1.00 0.00 O ATOM 0 H SER A 34 -2.718 -9.554 6.233 1.00 0.00 H new ATOM 0 HA SER A 34 -3.953 -8.398 3.828 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.840 -7.588 5.213 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.817 -9.337 5.101 1.00 0.00 H new ATOM 0 HG SER A 34 -6.158 -8.601 7.274 1.00 0.00 H new ATOM 456 N ILE A 35 -3.147 -6.155 4.531 1.00 0.00 N ATOM 457 CA ILE A 35 -2.498 -4.909 4.869 1.00 0.00 C ATOM 458 C ILE A 35 -3.481 -3.746 4.777 1.00 0.00 C ATOM 459 O ILE A 35 -4.375 -3.739 3.926 1.00 0.00 O ATOM 460 CB ILE A 35 -1.292 -4.604 3.941 1.00 0.00 C ATOM 461 CG1 ILE A 35 -0.445 -5.852 3.699 1.00 0.00 C ATOM 462 CG2 ILE A 35 -0.426 -3.501 4.530 1.00 0.00 C ATOM 463 CD1 ILE A 35 -0.820 -6.612 2.442 1.00 0.00 C ATOM 0 H ILE A 35 -3.566 -6.176 3.601 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.136 -5.020 5.891 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.693 -4.270 2.984 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.604 -5.562 3.637 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.542 -6.517 4.557 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.414 -3.303 3.864 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.020 -2.594 4.645 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.050 -3.814 5.504 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.175 -7.485 2.338 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.859 -6.935 2.508 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.696 -5.964 1.574 1.00 0.00 H new ATOM 474 N ASN A 36 -3.317 -2.768 5.654 1.00 0.00 N ATOM 475 CA ASN A 36 -4.174 -1.594 5.661 1.00 0.00 C ATOM 476 C ASN A 36 -3.438 -0.410 5.061 1.00 0.00 C ATOM 477 O ASN A 36 -2.765 0.341 5.763 1.00 0.00 O ATOM 478 CB ASN A 36 -4.651 -1.274 7.073 1.00 0.00 C ATOM 479 CG ASN A 36 -5.703 -2.255 7.546 1.00 0.00 C ATOM 480 OD1 ASN A 36 -6.465 -2.794 6.608 1.00 0.00 O flip ATOM 481 ND2 ASN A 36 -5.827 -2.528 8.736 1.00 0.00 N flip ATOM 0 H ASN A 36 -2.594 -2.765 6.374 1.00 0.00 H new ATOM 0 HA ASN A 36 -5.054 -1.805 5.053 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -3.802 -1.293 7.757 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.058 -0.263 7.099 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.218 -2.089 9.426 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.539 -3.194 9.035 1.00 0.00 H new ATOM 487 N LEU A 37 -3.603 -0.245 3.756 1.00 0.00 N ATOM 488 CA LEU A 37 -2.949 0.819 3.002 1.00 0.00 C ATOM 489 C LEU A 37 -3.305 2.188 3.562 1.00 0.00 C ATOM 490 O LEU A 37 -2.553 3.145 3.410 1.00 0.00 O ATOM 491 CB LEU A 37 -3.353 0.772 1.521 1.00 0.00 C ATOM 492 CG LEU A 37 -3.179 -0.569 0.797 1.00 0.00 C ATOM 493 CD1 LEU A 37 -1.858 -1.227 1.169 1.00 0.00 C ATOM 494 CD2 LEU A 37 -4.354 -1.495 1.081 1.00 0.00 C ATOM 0 H LEU A 37 -4.197 -0.848 3.186 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.874 0.660 3.092 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.400 1.065 1.445 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.772 1.524 0.987 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.159 -0.372 -0.275 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.763 -2.176 0.641 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.033 -0.571 0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.831 -1.406 2.244 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.208 -2.439 0.557 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.420 -1.681 2.153 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.277 -1.028 0.737 1.00 0.00 H new ATOM 505 N ASN A 38 -4.460 2.269 4.212 1.00 0.00 N ATOM 506 CA ASN A 38 -4.935 3.520 4.793 1.00 0.00 C ATOM 507 C ASN A 38 -3.912 4.121 5.750 1.00 0.00 C ATOM 508 O ASN A 38 -3.820 5.334 5.876 1.00 0.00 O ATOM 509 CB ASN A 38 -6.265 3.292 5.524 1.00 0.00 C ATOM 510 CG ASN A 38 -6.805 4.547 6.194 1.00 0.00 C ATOM 511 OD1 ASN A 38 -6.474 4.847 7.338 1.00 0.00 O ATOM 512 ND2 ASN A 38 -7.670 5.270 5.495 1.00 0.00 N ATOM 0 H ASN A 38 -5.089 1.478 4.351 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.085 4.227 3.977 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -7.004 2.921 4.813 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.130 2.516 6.277 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.084 6.107 5.905 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -7.921 4.989 4.547 1.00 0.00 H new ATOM 518 N TYR A 39 -3.125 3.277 6.400 1.00 0.00 N ATOM 519 CA TYR A 39 -2.134 3.760 7.353 1.00 0.00 C ATOM 520 C TYR A 39 -0.730 3.728 6.762 1.00 0.00 C ATOM 521 O TYR A 39 0.250 3.907 7.484 1.00 0.00 O ATOM 522 CB TYR A 39 -2.169 2.915 8.629 1.00 0.00 C ATOM 523 CG TYR A 39 -3.550 2.760 9.226 1.00 0.00 C ATOM 524 CD1 TYR A 39 -4.118 3.767 9.993 1.00 0.00 C ATOM 525 CD2 TYR A 39 -4.286 1.603 9.018 1.00 0.00 C ATOM 526 CE1 TYR A 39 -5.381 3.624 10.538 1.00 0.00 C ATOM 527 CE2 TYR A 39 -5.548 1.452 9.557 1.00 0.00 C ATOM 528 CZ TYR A 39 -6.090 2.463 10.316 1.00 0.00 C ATOM 529 OH TYR A 39 -7.349 2.314 10.853 1.00 0.00 O ATOM 0 H TYR A 39 -3.151 2.264 6.288 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.384 4.794 7.591 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.766 1.926 8.409 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.512 3.369 9.371 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.565 4.678 10.167 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.864 0.806 8.424 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.809 4.417 11.134 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -6.107 0.544 9.384 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.711 1.439 10.601 1.00 0.00 H new ATOM 538 N TYR A 40 -0.624 3.503 5.456 1.00 0.00 N ATOM 539 CA TYR A 40 0.687 3.437 4.817 1.00 0.00 C ATOM 540 C TYR A 40 0.806 4.376 3.626 1.00 0.00 C ATOM 541 O TYR A 40 1.902 4.827 3.304 1.00 0.00 O ATOM 542 CB TYR A 40 1.017 1.995 4.418 1.00 0.00 C ATOM 543 CG TYR A 40 1.056 1.060 5.605 1.00 0.00 C ATOM 544 CD1 TYR A 40 1.932 1.290 6.657 1.00 0.00 C ATOM 545 CD2 TYR A 40 0.204 -0.031 5.689 1.00 0.00 C ATOM 546 CE1 TYR A 40 1.956 0.461 7.760 1.00 0.00 C ATOM 547 CE2 TYR A 40 0.225 -0.871 6.788 1.00 0.00 C ATOM 548 CZ TYR A 40 1.102 -0.616 7.823 1.00 0.00 C ATOM 549 OH TYR A 40 1.121 -1.435 8.931 1.00 0.00 O ATOM 0 H TYR A 40 -1.416 3.365 4.828 1.00 0.00 H new ATOM 0 HA TYR A 40 1.419 3.775 5.551 1.00 0.00 H new ATOM 0 HB2 TYR A 40 0.274 1.640 3.704 1.00 0.00 H new ATOM 0 HB3 TYR A 40 1.982 1.974 3.911 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.606 2.132 6.611 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.487 -0.228 4.883 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.642 0.657 8.571 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.440 -1.720 6.836 1.00 0.00 H new ATOM 0 HH TYR A 40 0.458 -2.149 8.822 1.00 0.00 H new ATOM 558 N ILE A 41 -0.307 4.683 2.987 1.00 0.00 N ATOM 559 CA ILE A 41 -0.306 5.582 1.842 1.00 0.00 C ATOM 560 C ILE A 41 -0.988 6.893 2.210 1.00 0.00 C ATOM 561 O ILE A 41 -1.983 6.901 2.940 1.00 0.00 O ATOM 562 CB ILE A 41 -1.018 4.964 0.620 1.00 0.00 C ATOM 563 CG1 ILE A 41 -0.137 3.929 -0.078 1.00 0.00 C ATOM 564 CG2 ILE A 41 -1.435 6.037 -0.368 1.00 0.00 C ATOM 565 CD1 ILE A 41 -0.131 2.582 0.597 1.00 0.00 C ATOM 0 H ILE A 41 -1.227 4.323 3.240 1.00 0.00 H new ATOM 0 HA ILE A 41 0.735 5.762 1.572 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.911 4.460 0.990 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.479 3.808 -1.106 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.884 4.307 -0.124 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.934 5.574 -1.219 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.118 6.734 0.118 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.553 6.576 -0.714 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.516 1.901 0.044 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.240 2.688 1.617 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.145 2.182 0.619 1.00 0.00 H new ATOM 576 N GLY A 42 -0.444 8.000 1.722 1.00 0.00 N ATOM 577 CA GLY A 42 -1.020 9.290 2.028 1.00 0.00 C ATOM 578 C GLY A 42 -1.631 9.976 0.829 1.00 0.00 C ATOM 579 O GLY A 42 -1.478 9.529 -0.310 1.00 0.00 O ATOM 0 H GLY A 42 0.381 8.026 1.123 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.785 9.165 2.794 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.248 9.933 2.450 1.00 0.00 H new ATOM 583 N ASN A 43 -2.320 11.072 1.097 1.00 0.00 N ATOM 584 CA ASN A 43 -2.985 11.847 0.062 1.00 0.00 C ATOM 585 C ASN A 43 -2.341 13.219 -0.077 1.00 0.00 C ATOM 586 O ASN A 43 -2.484 14.075 0.798 1.00 0.00 O ATOM 587 CB ASN A 43 -4.470 11.997 0.406 1.00 0.00 C ATOM 588 CG ASN A 43 -5.185 13.015 -0.464 1.00 0.00 C ATOM 589 OD1 ASN A 43 -4.842 13.217 -1.628 1.00 0.00 O ATOM 590 ND2 ASN A 43 -6.176 13.676 0.108 1.00 0.00 N ATOM 0 H ASN A 43 -2.435 11.450 2.037 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.885 11.323 -0.888 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.961 11.029 0.300 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.566 12.290 1.451 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.688 14.384 -0.419 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.429 13.478 1.076 1.00 0.00 H new ATOM 596 N ASP A 44 -1.619 13.424 -1.167 1.00 0.00 N ATOM 597 CA ASP A 44 -0.970 14.702 -1.409 1.00 0.00 C ATOM 598 C ASP A 44 -1.613 15.415 -2.590 1.00 0.00 C ATOM 599 O ASP A 44 -1.423 15.011 -3.737 1.00 0.00 O ATOM 600 CB ASP A 44 0.527 14.512 -1.670 1.00 0.00 C ATOM 601 CG ASP A 44 1.246 15.827 -1.911 1.00 0.00 C ATOM 602 OD1 ASP A 44 1.687 16.457 -0.924 1.00 0.00 O ATOM 603 OD2 ASP A 44 1.369 16.244 -3.084 1.00 0.00 O ATOM 0 H ASP A 44 -1.468 12.726 -1.895 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.094 15.314 -0.516 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.980 14.005 -0.818 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.662 13.864 -2.536 1.00 0.00 H new ATOM 607 N ASN A 45 -2.396 16.454 -2.301 1.00 0.00 N ATOM 608 CA ASN A 45 -3.053 17.255 -3.334 1.00 0.00 C ATOM 609 C ASN A 45 -3.933 16.379 -4.220 1.00 0.00 C ATOM 610 O ASN A 45 -3.958 16.530 -5.443 1.00 0.00 O ATOM 611 CB ASN A 45 -1.990 17.972 -4.172 1.00 0.00 C ATOM 612 CG ASN A 45 -2.500 19.192 -4.911 1.00 0.00 C ATOM 613 OD1 ASN A 45 -3.358 19.919 -4.419 1.00 0.00 O ATOM 614 ND2 ASN A 45 -1.960 19.431 -6.098 1.00 0.00 N ATOM 0 H ASN A 45 -2.592 16.763 -1.349 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.694 17.996 -2.856 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.171 18.273 -3.519 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.579 17.268 -4.896 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.255 20.244 -6.638 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.249 18.802 -6.471 1.00 0.00 H new ATOM 620 N GLY A 46 -4.638 15.445 -3.594 1.00 0.00 N ATOM 621 CA GLY A 46 -5.520 14.558 -4.325 1.00 0.00 C ATOM 622 C GLY A 46 -4.781 13.460 -5.065 1.00 0.00 C ATOM 623 O GLY A 46 -5.345 12.810 -5.943 1.00 0.00 O ATOM 0 H GLY A 46 -4.614 15.286 -2.587 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.228 14.106 -3.630 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.101 15.141 -5.039 1.00 0.00 H new ATOM 627 N ARG A 47 -3.523 13.245 -4.710 1.00 0.00 N ATOM 628 CA ARG A 47 -2.711 12.222 -5.354 1.00 0.00 C ATOM 629 C ARG A 47 -2.173 11.230 -4.335 1.00 0.00 C ATOM 630 O ARG A 47 -1.872 11.594 -3.198 1.00 0.00 O ATOM 631 CB ARG A 47 -1.553 12.866 -6.119 1.00 0.00 C ATOM 632 CG ARG A 47 -1.675 12.747 -7.629 1.00 0.00 C ATOM 633 CD ARG A 47 -2.984 13.330 -8.145 1.00 0.00 C ATOM 634 NE ARG A 47 -3.147 14.735 -7.754 1.00 0.00 N ATOM 635 CZ ARG A 47 -3.315 15.735 -8.618 1.00 0.00 C ATOM 636 NH1 ARG A 47 -3.350 15.493 -9.916 1.00 0.00 N ATOM 637 NH2 ARG A 47 -3.447 16.979 -8.178 1.00 0.00 N ATOM 0 H ARG A 47 -3.041 13.766 -3.978 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.345 11.682 -6.057 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.494 13.921 -5.850 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.618 12.404 -5.802 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.838 13.261 -8.102 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.608 11.698 -7.916 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.014 13.249 -9.232 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.819 12.746 -7.759 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.131 14.960 -6.759 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.248 14.538 -10.260 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.479 16.261 -10.575 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.420 17.171 -7.177 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.576 17.743 -8.841 1.00 0.00 H new ATOM 648 N LEU A 48 -2.061 9.978 -4.754 1.00 0.00 N ATOM 649 CA LEU A 48 -1.565 8.912 -3.893 1.00 0.00 C ATOM 650 C LEU A 48 -0.053 9.003 -3.715 1.00 0.00 C ATOM 651 O LEU A 48 0.702 8.934 -4.685 1.00 0.00 O ATOM 652 CB LEU A 48 -1.949 7.543 -4.475 1.00 0.00 C ATOM 653 CG LEU A 48 -3.334 7.020 -4.080 1.00 0.00 C ATOM 654 CD1 LEU A 48 -4.419 8.028 -4.414 1.00 0.00 C ATOM 655 CD2 LEU A 48 -3.610 5.696 -4.775 1.00 0.00 C ATOM 0 H LEU A 48 -2.310 9.673 -5.695 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.026 9.027 -2.912 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.900 7.604 -5.562 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.202 6.813 -4.163 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.343 6.865 -3.001 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.390 7.628 -4.122 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.232 8.956 -3.874 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.415 8.225 -5.486 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.597 5.333 -4.488 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.576 5.838 -5.855 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.855 4.967 -4.481 1.00 0.00 H new ATOM 666 N GLU A 49 0.378 9.175 -2.473 1.00 0.00 N ATOM 667 CA GLU A 49 1.797 9.262 -2.155 1.00 0.00 C ATOM 668 C GLU A 49 2.233 8.015 -1.401 1.00 0.00 C ATOM 669 O GLU A 49 1.506 7.558 -0.514 1.00 0.00 O ATOM 670 CB GLU A 49 2.083 10.500 -1.305 1.00 0.00 C ATOM 671 CG GLU A 49 3.539 10.616 -0.874 1.00 0.00 C ATOM 672 CD GLU A 49 3.750 11.631 0.230 1.00 0.00 C ATOM 673 OE1 GLU A 49 2.903 12.535 0.387 1.00 0.00 O ATOM 674 OE2 GLU A 49 4.760 11.522 0.958 1.00 0.00 O ATOM 0 H GLU A 49 -0.239 9.257 -1.665 1.00 0.00 H new ATOM 0 HA GLU A 49 2.357 9.340 -3.087 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.807 11.391 -1.870 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.450 10.476 -0.418 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.891 9.641 -0.536 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.146 10.893 -1.736 1.00 0.00 H new ATOM 679 N TYR A 50 3.396 7.465 -1.772 1.00 0.00 N ATOM 680 CA TYR A 50 3.937 6.268 -1.139 1.00 0.00 C ATOM 681 C TYR A 50 3.749 6.242 0.274 1.00 0.00 C ATOM 682 O TYR A 50 2.988 5.394 0.741 1.00 0.00 O ATOM 683 CB TYR A 50 5.394 5.943 -1.489 1.00 0.00 C ATOM 684 CG TYR A 50 6.204 7.022 -2.204 1.00 0.00 C ATOM 685 CD1 TYR A 50 5.831 7.509 -3.453 1.00 0.00 C ATOM 686 CD2 TYR A 50 7.365 7.530 -1.631 1.00 0.00 C ATOM 687 CE1 TYR A 50 6.586 8.472 -4.102 1.00 0.00 C ATOM 688 CE2 TYR A 50 8.124 8.488 -2.274 1.00 0.00 C ATOM 689 CZ TYR A 50 7.732 8.956 -3.506 1.00 0.00 C ATOM 690 OH TYR A 50 8.495 9.908 -4.148 1.00 0.00 O ATOM 0 H TYR A 50 3.983 7.840 -2.517 1.00 0.00 H new ATOM 0 HA TYR A 50 3.335 5.474 -1.581 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.913 5.689 -0.565 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.399 5.049 -2.113 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.937 7.129 -3.925 1.00 0.00 H new ATOM 0 HD2 TYR A 50 7.679 7.168 -0.663 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.279 8.842 -5.069 1.00 0.00 H new ATOM 0 HE2 TYR A 50 9.022 8.868 -1.811 1.00 0.00 H new ATOM 0 HH TYR A 50 9.266 10.140 -3.590 1.00 0.00 H new ATOM 699 N PRO A 51 4.357 7.056 1.042 1.00 0.00 N ATOM 700 CA PRO A 51 4.095 6.866 2.346 1.00 0.00 C ATOM 701 C PRO A 51 3.261 7.960 2.951 1.00 0.00 C ATOM 702 O PRO A 51 3.570 9.155 2.881 1.00 0.00 O ATOM 703 CB PRO A 51 5.468 6.783 2.861 1.00 0.00 C ATOM 704 CG PRO A 51 6.193 7.877 2.118 1.00 0.00 C ATOM 705 CD PRO A 51 5.412 8.048 0.832 1.00 0.00 C ATOM 0 HA PRO A 51 3.480 5.997 2.578 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.502 6.940 3.939 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.910 5.806 2.667 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.214 8.802 2.695 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.229 7.602 1.919 1.00 0.00 H new ATOM 0 HD2 PRO A 51 5.018 9.057 0.715 1.00 0.00 H new ATOM 0 HD3 PRO A 51 6.013 7.836 -0.052 1.00 0.00 H new ATOM 710 N GLY A 52 2.210 7.535 3.551 1.00 0.00 N ATOM 711 CA GLY A 52 1.300 8.465 4.136 1.00 0.00 C ATOM 712 C GLY A 52 0.335 7.829 5.105 1.00 0.00 C ATOM 713 O GLY A 52 0.570 6.719 5.581 1.00 0.00 O ATOM 0 H GLY A 52 1.954 6.553 3.653 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.866 9.239 4.654 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.736 8.958 3.344 1.00 0.00 H new ATOM 717 N GLU A 53 -0.755 8.538 5.385 1.00 0.00 N ATOM 718 CA GLU A 53 -1.785 8.062 6.302 1.00 0.00 C ATOM 719 C GLU A 53 -3.139 8.679 5.956 1.00 0.00 C ATOM 720 O GLU A 53 -3.211 9.810 5.470 1.00 0.00 O ATOM 721 CB GLU A 53 -1.438 8.408 7.760 1.00 0.00 C ATOM 722 CG GLU A 53 -0.216 7.687 8.301 1.00 0.00 C ATOM 723 CD GLU A 53 0.111 8.073 9.729 1.00 0.00 C ATOM 724 OE1 GLU A 53 0.557 9.217 9.954 1.00 0.00 O ATOM 725 OE2 GLU A 53 -0.081 7.237 10.634 1.00 0.00 O ATOM 0 H GLU A 53 -0.948 9.456 4.984 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.836 6.978 6.197 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.274 9.483 7.837 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.294 8.170 8.391 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.383 6.611 8.250 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.641 7.907 7.665 1.00 0.00 H new ATOM 730 N SER A 54 -4.193 7.909 6.203 1.00 0.00 N ATOM 731 CA SER A 54 -5.572 8.322 5.980 1.00 0.00 C ATOM 732 C SER A 54 -5.864 8.759 4.539 1.00 0.00 C ATOM 733 O SER A 54 -6.649 9.678 4.317 1.00 0.00 O ATOM 734 CB SER A 54 -5.928 9.439 6.953 1.00 0.00 C ATOM 735 OG SER A 54 -5.659 9.049 8.289 1.00 0.00 O ATOM 0 H SER A 54 -4.110 6.961 6.571 1.00 0.00 H new ATOM 0 HA SER A 54 -6.196 7.446 6.156 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.357 10.335 6.709 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.982 9.695 6.850 1.00 0.00 H new ATOM 0 HG SER A 54 -5.893 9.781 8.897 1.00 0.00 H new ATOM 740 N PHE A 55 -5.266 8.092 3.557 1.00 0.00 N ATOM 741 CA PHE A 55 -5.523 8.447 2.162 1.00 0.00 C ATOM 742 C PHE A 55 -6.942 8.022 1.781 1.00 0.00 C ATOM 743 O PHE A 55 -7.643 8.716 1.051 1.00 0.00 O ATOM 744 CB PHE A 55 -4.507 7.794 1.209 1.00 0.00 C ATOM 745 CG PHE A 55 -4.847 6.381 0.811 1.00 0.00 C ATOM 746 CD1 PHE A 55 -4.542 5.321 1.643 1.00 0.00 C ATOM 747 CD2 PHE A 55 -5.490 6.121 -0.393 1.00 0.00 C ATOM 748 CE1 PHE A 55 -4.868 4.026 1.286 1.00 0.00 C ATOM 749 CE2 PHE A 55 -5.820 4.826 -0.754 1.00 0.00 C ATOM 750 CZ PHE A 55 -5.507 3.779 0.088 1.00 0.00 C ATOM 0 H PHE A 55 -4.614 7.319 3.693 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.418 9.528 2.064 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.428 8.403 0.309 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.526 7.799 1.684 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.043 5.506 2.583 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.735 6.939 -1.055 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.622 3.207 1.945 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.321 4.636 -1.692 1.00 0.00 H new ATOM 0 HZ PHE A 55 -5.762 2.767 -0.190 1.00 0.00 H new ATOM 759 N GLY A 56 -7.368 6.888 2.338 1.00 0.00 N ATOM 760 CA GLY A 56 -8.684 6.346 2.050 1.00 0.00 C ATOM 761 C GLY A 56 -9.789 7.209 2.606 1.00 0.00 C ATOM 762 O GLY A 56 -10.939 7.118 2.181 1.00 0.00 O ATOM 0 H GLY A 56 -6.816 6.331 2.991 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.808 6.250 0.971 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.762 5.343 2.470 1.00 0.00 H new ATOM 766 N SER A 57 -9.426 8.059 3.549 1.00 0.00 N ATOM 767 CA SER A 57 -10.364 8.962 4.186 1.00 0.00 C ATOM 768 C SER A 57 -10.773 10.086 3.232 1.00 0.00 C ATOM 769 O SER A 57 -11.656 10.888 3.534 1.00 0.00 O ATOM 770 CB SER A 57 -9.713 9.522 5.442 1.00 0.00 C ATOM 771 OG SER A 57 -9.310 8.467 6.303 1.00 0.00 O ATOM 0 H SER A 57 -8.470 8.142 3.895 1.00 0.00 H new ATOM 0 HA SER A 57 -11.273 8.422 4.453 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.849 10.129 5.172 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.413 10.177 5.961 1.00 0.00 H new ATOM 0 HG SER A 57 -9.039 8.837 7.169 1.00 0.00 H new ATOM 776 N SER A 58 -10.111 10.145 2.084 1.00 0.00 N ATOM 777 CA SER A 58 -10.409 11.147 1.073 1.00 0.00 C ATOM 778 C SER A 58 -10.193 10.568 -0.320 1.00 0.00 C ATOM 779 O SER A 58 -9.981 11.307 -1.280 1.00 0.00 O ATOM 780 CB SER A 58 -9.526 12.380 1.269 1.00 0.00 C ATOM 781 OG SER A 58 -9.741 12.972 2.540 1.00 0.00 O ATOM 0 H SER A 58 -9.359 9.505 1.830 1.00 0.00 H new ATOM 0 HA SER A 58 -11.453 11.444 1.175 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.478 12.099 1.169 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.736 13.109 0.486 1.00 0.00 H new ATOM 0 HG SER A 58 -9.162 13.757 2.638 1.00 0.00 H new ATOM 786 N CYS A 59 -10.257 9.245 -0.422 1.00 0.00 N ATOM 787 CA CYS A 59 -10.049 8.567 -1.699 1.00 0.00 C ATOM 788 C CYS A 59 -11.173 7.606 -2.017 1.00 0.00 C ATOM 789 O CYS A 59 -11.848 7.090 -1.126 1.00 0.00 O ATOM 790 CB CYS A 59 -8.745 7.779 -1.696 1.00 0.00 C ATOM 791 SG CYS A 59 -7.476 8.403 -2.839 1.00 0.00 S ATOM 0 H CYS A 59 -10.451 8.621 0.361 1.00 0.00 H new ATOM 0 HA CYS A 59 -10.015 9.350 -2.457 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -8.337 7.782 -0.685 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -8.963 6.741 -1.948 1.00 0.00 H new ATOM 795 N VAL A 60 -11.342 7.366 -3.301 1.00 0.00 N ATOM 796 CA VAL A 60 -12.346 6.453 -3.814 1.00 0.00 C ATOM 797 C VAL A 60 -11.755 5.687 -4.991 1.00 0.00 C ATOM 798 O VAL A 60 -10.634 5.972 -5.398 1.00 0.00 O ATOM 799 CB VAL A 60 -13.627 7.199 -4.243 1.00 0.00 C ATOM 800 CG1 VAL A 60 -14.312 7.807 -3.028 1.00 0.00 C ATOM 801 CG2 VAL A 60 -13.314 8.280 -5.265 1.00 0.00 C ATOM 0 H VAL A 60 -10.778 7.805 -4.029 1.00 0.00 H new ATOM 0 HA VAL A 60 -12.630 5.760 -3.022 1.00 0.00 H new ATOM 0 HB VAL A 60 -14.300 6.478 -4.707 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -15.214 8.331 -3.343 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -14.578 7.016 -2.326 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -13.635 8.510 -2.543 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -14.235 8.789 -5.549 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -12.620 9.000 -4.832 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -12.863 7.827 -6.148 1.00 0.00 H new ATOM 811 N LYS A 61 -12.492 4.717 -5.523 1.00 0.00 N ATOM 812 CA LYS A 61 -12.018 3.900 -6.650 1.00 0.00 C ATOM 813 C LYS A 61 -10.779 3.088 -6.264 1.00 0.00 C ATOM 814 O LYS A 61 -9.940 2.802 -7.118 1.00 0.00 O ATOM 815 CB LYS A 61 -11.666 4.744 -7.891 1.00 0.00 C ATOM 816 CG LYS A 61 -12.848 5.294 -8.670 1.00 0.00 C ATOM 817 CD LYS A 61 -13.147 6.726 -8.278 1.00 0.00 C ATOM 818 CE LYS A 61 -13.962 7.444 -9.342 1.00 0.00 C ATOM 819 NZ LYS A 61 -13.248 7.497 -10.649 1.00 0.00 N ATOM 0 H LYS A 61 -13.426 4.472 -5.194 1.00 0.00 H new ATOM 0 HA LYS A 61 -12.847 3.237 -6.897 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.042 5.580 -7.574 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.063 4.134 -8.564 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -12.637 5.244 -9.738 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -13.726 4.674 -8.489 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.691 6.738 -7.334 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -12.212 7.261 -8.114 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -14.918 6.936 -9.471 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -14.182 8.458 -9.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -13.339 8.450 -11.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -12.242 7.278 -10.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -13.664 6.801 -11.300 1.00 0.00 H new ATOM 829 N THR A 62 -10.661 2.726 -4.989 1.00 0.00 N ATOM 830 CA THR A 62 -9.514 1.958 -4.524 1.00 0.00 C ATOM 831 C THR A 62 -9.430 0.608 -5.232 1.00 0.00 C ATOM 832 O THR A 62 -10.333 -0.226 -5.127 1.00 0.00 O ATOM 833 CB THR A 62 -9.552 1.745 -2.997 1.00 0.00 C ATOM 834 OG1 THR A 62 -10.888 1.451 -2.573 1.00 0.00 O ATOM 835 CG2 THR A 62 -9.042 2.970 -2.254 1.00 0.00 C ATOM 0 H THR A 62 -11.343 2.952 -4.264 1.00 0.00 H new ATOM 0 HA THR A 62 -8.625 2.540 -4.767 1.00 0.00 H new ATOM 0 HB THR A 62 -8.899 0.904 -2.763 1.00 0.00 H new ATOM 0 HG1 THR A 62 -10.963 1.593 -1.606 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.082 2.787 -1.180 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.013 3.172 -2.550 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.666 3.830 -2.499 1.00 0.00 H new ATOM 843 N ALA A 63 -8.345 0.411 -5.964 1.00 0.00 N ATOM 844 CA ALA A 63 -8.122 -0.820 -6.702 1.00 0.00 C ATOM 845 C ALA A 63 -6.634 -1.091 -6.818 1.00 0.00 C ATOM 846 O ALA A 63 -5.819 -0.181 -6.649 1.00 0.00 O ATOM 847 CB ALA A 63 -8.759 -0.744 -8.081 1.00 0.00 C ATOM 0 H ALA A 63 -7.597 1.098 -6.063 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.589 -1.642 -6.159 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.580 -1.676 -8.616 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.832 -0.585 -7.978 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.322 0.084 -8.639 1.00 0.00 H new ATOM 853 N LEU A 64 -6.281 -2.329 -7.115 1.00 0.00 N ATOM 854 CA LEU A 64 -4.884 -2.716 -7.232 1.00 0.00 C ATOM 855 C LEU A 64 -4.579 -3.247 -8.627 1.00 0.00 C ATOM 856 O LEU A 64 -5.076 -4.302 -9.018 1.00 0.00 O ATOM 857 CB LEU A 64 -4.556 -3.786 -6.183 1.00 0.00 C ATOM 858 CG LEU A 64 -3.490 -3.404 -5.151 1.00 0.00 C ATOM 859 CD1 LEU A 64 -2.115 -3.359 -5.788 1.00 0.00 C ATOM 860 CD2 LEU A 64 -3.814 -2.064 -4.514 1.00 0.00 C ATOM 0 H LEU A 64 -6.944 -3.087 -7.280 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.266 -1.834 -7.061 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.473 -4.041 -5.652 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.227 -4.687 -6.701 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.488 -4.168 -4.374 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.375 -3.086 -5.036 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.872 -4.339 -6.198 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.109 -2.620 -6.589 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.044 -1.812 -3.784 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.849 -1.294 -5.285 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.781 -2.123 -4.015 1.00 0.00 H new ATOM 871 N ASN A 65 -3.761 -2.520 -9.379 1.00 0.00 N ATOM 872 CA ASN A 65 -3.400 -2.953 -10.717 1.00 0.00 C ATOM 873 C ASN A 65 -2.233 -3.913 -10.642 1.00 0.00 C ATOM 874 O ASN A 65 -1.227 -3.622 -9.991 1.00 0.00 O ATOM 875 CB ASN A 65 -3.022 -1.781 -11.612 1.00 0.00 C ATOM 876 CG ASN A 65 -2.941 -2.176 -13.080 1.00 0.00 C ATOM 877 OD1 ASN A 65 -3.778 -3.118 -13.494 1.00 0.00 O flip ATOM 878 ND2 ASN A 65 -2.138 -1.630 -13.839 1.00 0.00 N flip ATOM 0 H ASN A 65 -3.341 -1.638 -9.086 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.272 -3.443 -11.150 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.756 -0.984 -11.493 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.061 -1.379 -11.293 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.510 -0.909 -13.484 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.102 -1.899 -14.822 1.00 0.00 H new ATOM 884 N ASP A 66 -2.403 -5.059 -11.286 1.00 0.00 N ATOM 885 CA ASP A 66 -1.392 -6.123 -11.341 1.00 0.00 C ATOM 886 C ASP A 66 -0.899 -6.521 -9.943 1.00 0.00 C ATOM 887 O ASP A 66 0.167 -7.112 -9.790 1.00 0.00 O ATOM 888 CB ASP A 66 -0.221 -5.680 -12.224 1.00 0.00 C ATOM 889 CG ASP A 66 0.614 -6.844 -12.726 1.00 0.00 C ATOM 890 OD1 ASP A 66 0.172 -7.527 -13.674 1.00 0.00 O ATOM 891 OD2 ASP A 66 1.717 -7.075 -12.189 1.00 0.00 O ATOM 0 H ASP A 66 -3.257 -5.286 -11.795 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.857 -7.007 -11.777 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.607 -5.122 -13.077 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.416 -4.999 -11.659 1.00 0.00 H new ATOM 895 N GLY A 67 -1.692 -6.198 -8.928 1.00 0.00 N ATOM 896 CA GLY A 67 -1.332 -6.516 -7.559 1.00 0.00 C ATOM 897 C GLY A 67 -0.027 -5.874 -7.115 1.00 0.00 C ATOM 898 O GLY A 67 0.726 -6.468 -6.347 1.00 0.00 O ATOM 0 H GLY A 67 -2.586 -5.717 -9.031 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.133 -6.191 -6.895 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.251 -7.598 -7.454 1.00 0.00 H new ATOM 902 N HIS A 68 0.248 -4.663 -7.594 1.00 0.00 N ATOM 903 CA HIS A 68 1.477 -3.961 -7.212 1.00 0.00 C ATOM 904 C HIS A 68 1.274 -2.444 -7.189 1.00 0.00 C ATOM 905 O HIS A 68 1.998 -1.723 -6.508 1.00 0.00 O ATOM 906 CB HIS A 68 2.652 -4.338 -8.144 1.00 0.00 C ATOM 907 CG HIS A 68 2.626 -3.719 -9.519 1.00 0.00 C ATOM 908 ND1 HIS A 68 1.608 -3.498 -10.382 1.00 0.00 N flip ATOM 909 CD2 HIS A 68 3.759 -3.266 -10.156 1.00 0.00 C flip ATOM 910 CE1 HIS A 68 2.137 -2.920 -11.508 1.00 0.00 C flip ATOM 911 NE2 HIS A 68 3.438 -2.792 -11.343 1.00 0.00 N flip ATOM 0 H HIS A 68 -0.353 -4.150 -8.239 1.00 0.00 H new ATOM 0 HA HIS A 68 1.729 -4.281 -6.201 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.584 -4.053 -7.656 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.669 -5.422 -8.255 1.00 0.00 H new ATOM 0 HD1 HIS A 68 0.625 -3.721 -10.224 1.00 0.00 H new ATOM 0 HD2 HIS A 68 4.758 -3.295 -9.746 1.00 0.00 H new ATOM 0 HE1 HIS A 68 1.580 -2.620 -12.383 1.00 0.00 H new ATOM 919 N THR A 69 0.289 -1.969 -7.932 1.00 0.00 N ATOM 920 CA THR A 69 0.001 -0.553 -8.009 1.00 0.00 C ATOM 921 C THR A 69 -1.385 -0.242 -7.455 1.00 0.00 C ATOM 922 O THR A 69 -2.361 -0.881 -7.829 1.00 0.00 O ATOM 923 CB THR A 69 0.065 -0.101 -9.473 1.00 0.00 C ATOM 924 OG1 THR A 69 1.398 -0.254 -9.982 1.00 0.00 O ATOM 925 CG2 THR A 69 -0.412 1.330 -9.636 1.00 0.00 C ATOM 0 H THR A 69 -0.329 -2.553 -8.495 1.00 0.00 H new ATOM 0 HA THR A 69 0.742 -0.021 -7.412 1.00 0.00 H new ATOM 0 HB THR A 69 -0.607 -0.736 -10.051 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.947 0.505 -9.695 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.353 1.616 -10.686 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.444 1.410 -9.296 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.218 1.993 -9.043 1.00 0.00 H new ATOM 933 N LEU A 70 -1.465 0.725 -6.563 1.00 0.00 N ATOM 934 CA LEU A 70 -2.739 1.129 -5.992 1.00 0.00 C ATOM 935 C LEU A 70 -3.285 2.325 -6.748 1.00 0.00 C ATOM 936 O LEU A 70 -2.587 3.312 -6.948 1.00 0.00 O ATOM 937 CB LEU A 70 -2.584 1.467 -4.504 1.00 0.00 C ATOM 938 CG LEU A 70 -3.700 2.317 -3.883 1.00 0.00 C ATOM 939 CD1 LEU A 70 -5.043 1.613 -3.963 1.00 0.00 C ATOM 940 CD2 LEU A 70 -3.366 2.652 -2.440 1.00 0.00 C ATOM 0 H LEU A 70 -0.661 1.248 -6.216 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.440 0.299 -6.081 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.514 0.533 -3.946 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.638 1.991 -4.368 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.773 3.242 -4.455 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.811 2.243 -3.514 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.293 1.424 -5.007 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.990 0.666 -3.425 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.166 3.255 -2.012 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.260 1.730 -1.868 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.431 3.211 -2.403 1.00 0.00 H new ATOM 951 N THR A 71 -4.518 2.219 -7.185 1.00 0.00 N ATOM 952 CA THR A 71 -5.164 3.297 -7.897 1.00 0.00 C ATOM 953 C THR A 71 -6.342 3.804 -7.101 1.00 0.00 C ATOM 954 O THR A 71 -7.163 3.015 -6.630 1.00 0.00 O ATOM 955 CB THR A 71 -5.639 2.859 -9.290 1.00 0.00 C ATOM 956 OG1 THR A 71 -5.927 1.452 -9.296 1.00 0.00 O ATOM 957 CG2 THR A 71 -4.594 3.193 -10.333 1.00 0.00 C ATOM 0 H THR A 71 -5.098 1.390 -7.058 1.00 0.00 H new ATOM 0 HA THR A 71 -4.430 4.092 -8.026 1.00 0.00 H new ATOM 0 HB THR A 71 -6.553 3.401 -9.535 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.230 1.184 -10.188 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.946 2.876 -11.315 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.418 4.269 -10.340 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.665 2.675 -10.096 1.00 0.00 H new ATOM 965 N ALA A 72 -6.403 5.111 -6.926 1.00 0.00 N ATOM 966 CA ALA A 72 -7.491 5.722 -6.185 1.00 0.00 C ATOM 967 C ALA A 72 -7.603 7.207 -6.492 1.00 0.00 C ATOM 968 O ALA A 72 -6.638 7.851 -6.903 1.00 0.00 O ATOM 969 CB ALA A 72 -7.319 5.491 -4.692 1.00 0.00 C ATOM 0 H ALA A 72 -5.713 5.770 -7.286 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.419 5.247 -6.502 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.145 5.957 -4.154 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.311 4.420 -4.488 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.378 5.930 -4.362 1.00 0.00 H new ATOM 975 N SER A 73 -8.793 7.730 -6.300 1.00 0.00 N ATOM 976 CA SER A 73 -9.079 9.123 -6.550 1.00 0.00 C ATOM 977 C SER A 73 -9.211 9.868 -5.228 1.00 0.00 C ATOM 978 O SER A 73 -10.186 9.685 -4.499 1.00 0.00 O ATOM 979 CB SER A 73 -10.370 9.223 -7.358 1.00 0.00 C ATOM 980 OG SER A 73 -10.533 10.499 -7.938 1.00 0.00 O ATOM 0 H SER A 73 -9.594 7.196 -5.964 1.00 0.00 H new ATOM 0 HA SER A 73 -8.266 9.577 -7.116 1.00 0.00 H new ATOM 0 HB2 SER A 73 -10.366 8.466 -8.142 1.00 0.00 H new ATOM 0 HB3 SER A 73 -11.220 9.008 -6.711 1.00 0.00 H new ATOM 0 HG SER A 73 -11.250 10.980 -7.474 1.00 0.00 H new ATOM 985 N CYS A 74 -8.225 10.693 -4.922 1.00 0.00 N ATOM 986 CA CYS A 74 -8.221 11.454 -3.677 1.00 0.00 C ATOM 987 C CYS A 74 -8.557 12.917 -3.910 1.00 0.00 C ATOM 988 O CYS A 74 -8.268 13.482 -4.964 1.00 0.00 O ATOM 989 CB CYS A 74 -6.863 11.372 -2.981 1.00 0.00 C ATOM 990 SG CYS A 74 -6.649 9.959 -1.850 1.00 0.00 S ATOM 0 H CYS A 74 -7.413 10.856 -5.518 1.00 0.00 H new ATOM 0 HA CYS A 74 -8.986 11.007 -3.042 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -6.085 11.327 -3.743 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -6.705 12.293 -2.419 1.00 0.00 H new ATOM 994 N LYS A 75 -9.180 13.513 -2.911 1.00 0.00 N ATOM 995 CA LYS A 75 -9.562 14.917 -2.955 1.00 0.00 C ATOM 996 C LYS A 75 -8.564 15.770 -2.172 1.00 0.00 C ATOM 997 O LYS A 75 -8.081 15.356 -1.116 1.00 0.00 O ATOM 998 CB LYS A 75 -10.987 15.100 -2.403 1.00 0.00 C ATOM 999 CG LYS A 75 -11.384 16.552 -2.160 1.00 0.00 C ATOM 1000 CD LYS A 75 -11.053 16.980 -0.740 1.00 0.00 C ATOM 1001 CE LYS A 75 -11.087 18.484 -0.579 1.00 0.00 C ATOM 1002 NZ LYS A 75 -10.803 18.900 0.819 1.00 0.00 N ATOM 0 H LYS A 75 -9.437 13.040 -2.045 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.550 15.248 -3.993 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.695 14.654 -3.102 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.075 14.550 -1.466 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.864 17.198 -2.868 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.452 16.675 -2.341 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.763 16.525 -0.049 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.064 16.609 -0.471 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.355 18.937 -1.248 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.066 18.859 -0.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.836 19.937 0.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.516 18.489 1.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.858 18.565 1.096 1.00 0.00 H new ATOM 1012 N GLY A 76 -8.258 16.954 -2.692 1.00 0.00 N ATOM 1013 CA GLY A 76 -7.342 17.851 -2.013 1.00 0.00 C ATOM 1014 C GLY A 76 -6.722 18.864 -2.951 1.00 0.00 C ATOM 1015 O GLY A 76 -6.393 19.977 -2.546 1.00 0.00 O ATOM 0 H GLY A 76 -8.629 17.309 -3.573 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -7.873 18.374 -1.218 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.552 17.268 -1.539 1.00 0.00 H new ATOM 1019 N ALA A 77 -6.551 18.458 -4.203 1.00 0.00 N ATOM 1020 CA ALA A 77 -5.981 19.314 -5.239 1.00 0.00 C ATOM 1021 C ALA A 77 -6.642 20.689 -5.291 1.00 0.00 C ATOM 1022 O ALA A 77 -5.962 21.702 -5.448 1.00 0.00 O ATOM 1023 CB ALA A 77 -6.079 18.628 -6.592 1.00 0.00 C ATOM 0 H ALA A 77 -6.803 17.525 -4.530 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.933 19.476 -4.986 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.651 19.274 -7.359 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.531 17.686 -6.563 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.125 18.431 -6.825 1.00 0.00 H new ATOM 1029 N ASP A 78 -7.963 20.721 -5.151 1.00 0.00 N ATOM 1030 CA ASP A 78 -8.708 21.981 -5.189 1.00 0.00 C ATOM 1031 C ASP A 78 -10.167 21.739 -4.824 1.00 0.00 C ATOM 1032 O ASP A 78 -11.079 22.165 -5.529 1.00 0.00 O ATOM 1033 CB ASP A 78 -8.615 22.609 -6.584 1.00 0.00 C ATOM 1034 CG ASP A 78 -9.034 24.064 -6.596 1.00 0.00 C ATOM 1035 OD1 ASP A 78 -8.354 24.884 -5.946 1.00 0.00 O ATOM 1036 OD2 ASP A 78 -10.024 24.397 -7.275 1.00 0.00 O ATOM 0 H ASP A 78 -8.542 19.893 -5.010 1.00 0.00 H new ATOM 0 HA ASP A 78 -8.271 22.667 -4.464 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -7.591 22.527 -6.948 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.245 22.048 -7.274 1.00 0.00 H new ATOM 1040 N GLY A 79 -10.386 21.025 -3.726 1.00 0.00 N ATOM 1041 CA GLY A 79 -11.744 20.713 -3.302 1.00 0.00 C ATOM 1042 C GLY A 79 -12.359 19.640 -4.176 1.00 0.00 C ATOM 1043 O GLY A 79 -13.513 19.251 -4.004 1.00 0.00 O ATOM 0 H GLY A 79 -9.652 20.656 -3.121 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -11.736 20.380 -2.264 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -12.356 21.614 -3.343 1.00 0.00 H new ATOM 1047 N GLN A 80 -11.561 19.164 -5.115 1.00 0.00 N ATOM 1048 CA GLN A 80 -11.965 18.131 -6.046 1.00 0.00 C ATOM 1049 C GLN A 80 -11.019 16.954 -5.920 1.00 0.00 C ATOM 1050 O GLN A 80 -9.919 17.088 -5.368 1.00 0.00 O ATOM 1051 CB GLN A 80 -11.931 18.658 -7.482 1.00 0.00 C ATOM 1052 CG GLN A 80 -10.585 19.256 -7.872 1.00 0.00 C ATOM 1053 CD GLN A 80 -10.429 19.447 -9.368 1.00 0.00 C ATOM 1054 OE1 GLN A 80 -11.404 19.640 -10.092 1.00 0.00 O ATOM 1055 NE2 GLN A 80 -9.193 19.399 -9.841 1.00 0.00 N ATOM 0 H GLN A 80 -10.604 19.489 -5.252 1.00 0.00 H new ATOM 0 HA GLN A 80 -12.984 17.822 -5.812 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -12.171 17.844 -8.166 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -12.706 19.415 -7.602 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.464 20.218 -7.375 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.787 18.607 -7.510 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -8.410 19.237 -9.207 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -9.024 19.524 -10.839 1.00 0.00 H new ATOM 1062 N TYR A 81 -11.446 15.812 -6.420 1.00 0.00 N ATOM 1063 CA TYR A 81 -10.633 14.615 -6.380 1.00 0.00 C ATOM 1064 C TYR A 81 -10.057 14.333 -7.761 1.00 0.00 C ATOM 1065 O TYR A 81 -10.444 14.968 -8.743 1.00 0.00 O ATOM 1066 CB TYR A 81 -11.453 13.425 -5.872 1.00 0.00 C ATOM 1067 CG TYR A 81 -12.729 13.178 -6.645 1.00 0.00 C ATOM 1068 CD1 TYR A 81 -12.714 12.454 -7.825 1.00 0.00 C ATOM 1069 CD2 TYR A 81 -13.946 13.669 -6.192 1.00 0.00 C ATOM 1070 CE1 TYR A 81 -13.867 12.221 -8.534 1.00 0.00 C ATOM 1071 CE2 TYR A 81 -15.111 13.439 -6.898 1.00 0.00 C ATOM 1072 CZ TYR A 81 -15.066 12.714 -8.067 1.00 0.00 C ATOM 1073 OH TYR A 81 -16.224 12.483 -8.774 1.00 0.00 O ATOM 0 H TYR A 81 -12.357 15.688 -6.861 1.00 0.00 H new ATOM 0 HA TYR A 81 -9.807 14.770 -5.687 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -10.836 12.528 -5.915 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -11.702 13.591 -4.824 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.777 12.065 -8.195 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -13.982 14.239 -5.275 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -13.834 11.654 -9.453 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -16.052 13.826 -6.535 1.00 0.00 H new ATOM 0 HH TYR A 81 -16.980 12.897 -8.308 1.00 0.00 H new ATOM 1082 N HIS A 82 -9.139 13.388 -7.833 1.00 0.00 N ATOM 1083 CA HIS A 82 -8.507 13.031 -9.091 1.00 0.00 C ATOM 1084 C HIS A 82 -7.958 11.617 -9.000 1.00 0.00 C ATOM 1085 O HIS A 82 -7.316 11.253 -8.015 1.00 0.00 O ATOM 1086 CB HIS A 82 -7.379 14.009 -9.430 1.00 0.00 C ATOM 1087 CG HIS A 82 -7.336 14.396 -10.878 1.00 0.00 C ATOM 1088 ND1 HIS A 82 -7.154 15.694 -11.308 1.00 0.00 N ATOM 1089 CD2 HIS A 82 -7.458 13.648 -11.999 1.00 0.00 C ATOM 1090 CE1 HIS A 82 -7.169 15.723 -12.627 1.00 0.00 C ATOM 1091 NE2 HIS A 82 -7.353 14.496 -13.071 1.00 0.00 N ATOM 0 H HIS A 82 -8.812 12.850 -7.030 1.00 0.00 H new ATOM 0 HA HIS A 82 -9.253 13.083 -9.884 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.495 14.908 -8.825 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -6.425 13.560 -9.154 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -7.610 12.580 -12.041 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -7.050 16.604 -13.240 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -7.408 14.222 -14.052 1.00 0.00 H new ATOM 1099 N ASP A 83 -8.221 10.825 -10.025 1.00 0.00 N ATOM 1100 CA ASP A 83 -7.769 9.441 -10.060 1.00 0.00 C ATOM 1101 C ASP A 83 -6.261 9.364 -10.257 1.00 0.00 C ATOM 1102 O ASP A 83 -5.741 9.723 -11.313 1.00 0.00 O ATOM 1103 CB ASP A 83 -8.483 8.672 -11.176 1.00 0.00 C ATOM 1104 CG ASP A 83 -9.939 8.366 -10.862 1.00 0.00 C ATOM 1105 OD1 ASP A 83 -10.693 9.293 -10.496 1.00 0.00 O ATOM 1106 OD2 ASP A 83 -10.340 7.189 -10.990 1.00 0.00 O ATOM 0 H ASP A 83 -8.748 11.117 -10.849 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.015 8.984 -9.102 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.432 9.252 -12.097 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.954 7.737 -11.359 1.00 0.00 H new ATOM 1110 N SER A 84 -5.564 8.902 -9.234 1.00 0.00 N ATOM 1111 CA SER A 84 -4.119 8.774 -9.287 1.00 0.00 C ATOM 1112 C SER A 84 -3.709 7.348 -8.935 1.00 0.00 C ATOM 1113 O SER A 84 -4.554 6.523 -8.576 1.00 0.00 O ATOM 1114 CB SER A 84 -3.465 9.779 -8.335 1.00 0.00 C ATOM 1115 OG SER A 84 -4.053 9.729 -7.050 1.00 0.00 O ATOM 0 H SER A 84 -5.980 8.607 -8.350 1.00 0.00 H new ATOM 0 HA SER A 84 -3.778 8.991 -10.299 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.398 9.568 -8.257 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.562 10.785 -8.743 1.00 0.00 H new ATOM 0 HG SER A 84 -4.802 10.360 -7.008 1.00 0.00 H new ATOM 1120 N SER A 85 -2.424 7.053 -9.040 1.00 0.00 N ATOM 1121 CA SER A 85 -1.931 5.719 -8.738 1.00 0.00 C ATOM 1122 C SER A 85 -0.660 5.788 -7.908 1.00 0.00 C ATOM 1123 O SER A 85 -0.014 6.831 -7.828 1.00 0.00 O ATOM 1124 CB SER A 85 -1.646 4.944 -10.018 1.00 0.00 C ATOM 1125 OG SER A 85 -2.329 5.506 -11.131 1.00 0.00 O ATOM 0 H SER A 85 -1.706 7.716 -9.331 1.00 0.00 H new ATOM 0 HA SER A 85 -2.706 5.205 -8.170 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.573 4.941 -10.212 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.949 3.905 -9.891 1.00 0.00 H new ATOM 0 HG SER A 85 -2.124 4.987 -11.937 1.00 0.00 H new ATOM 1130 N MET A 86 -0.308 4.671 -7.300 1.00 0.00 N ATOM 1131 CA MET A 86 0.880 4.590 -6.480 1.00 0.00 C ATOM 1132 C MET A 86 1.431 3.173 -6.476 1.00 0.00 C ATOM 1133 O MET A 86 0.735 2.236 -6.093 1.00 0.00 O ATOM 1134 CB MET A 86 0.544 5.005 -5.054 1.00 0.00 C ATOM 1135 CG MET A 86 1.733 4.993 -4.102 1.00 0.00 C ATOM 1136 SD MET A 86 2.901 6.338 -4.420 1.00 0.00 S ATOM 1137 CE MET A 86 3.810 5.749 -5.846 1.00 0.00 C ATOM 0 H MET A 86 -0.836 3.800 -7.361 1.00 0.00 H new ATOM 0 HA MET A 86 1.635 5.260 -6.893 1.00 0.00 H new ATOM 0 HB2 MET A 86 0.117 6.008 -5.071 1.00 0.00 H new ATOM 0 HB3 MET A 86 -0.225 4.337 -4.665 1.00 0.00 H new ATOM 0 HG2 MET A 86 1.372 5.067 -3.076 1.00 0.00 H new ATOM 0 HG3 MET A 86 2.253 4.039 -4.189 1.00 0.00 H new ATOM 0 HE1 MET A 86 4.771 6.260 -5.901 1.00 0.00 H new ATOM 0 HE2 MET A 86 3.974 4.675 -5.755 1.00 0.00 H new ATOM 0 HE3 MET A 86 3.239 5.953 -6.751 1.00 0.00 H new ATOM 1145 N ASP A 87 2.668 3.012 -6.914 1.00 0.00 N ATOM 1146 CA ASP A 87 3.292 1.708 -6.932 1.00 0.00 C ATOM 1147 C ASP A 87 3.680 1.313 -5.519 1.00 0.00 C ATOM 1148 O ASP A 87 4.637 1.839 -4.952 1.00 0.00 O ATOM 1149 CB ASP A 87 4.525 1.707 -7.828 1.00 0.00 C ATOM 1150 CG ASP A 87 4.226 2.174 -9.233 1.00 0.00 C ATOM 1151 OD1 ASP A 87 3.335 1.589 -9.881 1.00 0.00 O ATOM 1152 OD2 ASP A 87 4.888 3.129 -9.693 1.00 0.00 O ATOM 0 H ASP A 87 3.256 3.770 -7.261 1.00 0.00 H new ATOM 0 HA ASP A 87 2.580 0.987 -7.332 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.288 2.351 -7.390 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.941 0.700 -7.865 1.00 0.00 H new ATOM 1156 N LEU A 88 2.933 0.378 -4.963 1.00 0.00 N ATOM 1157 CA LEU A 88 3.160 -0.102 -3.607 1.00 0.00 C ATOM 1158 C LEU A 88 4.370 -1.014 -3.570 1.00 0.00 C ATOM 1159 O LEU A 88 4.831 -1.408 -2.501 1.00 0.00 O ATOM 1160 CB LEU A 88 1.935 -0.858 -3.103 1.00 0.00 C ATOM 1161 CG LEU A 88 0.589 -0.207 -3.423 1.00 0.00 C ATOM 1162 CD1 LEU A 88 -0.547 -1.041 -2.851 1.00 0.00 C ATOM 1163 CD2 LEU A 88 0.541 1.214 -2.875 1.00 0.00 C ATOM 0 H LEU A 88 2.150 -0.073 -5.437 1.00 0.00 H new ATOM 0 HA LEU A 88 3.340 0.758 -2.962 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.946 -1.861 -3.530 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.018 -0.971 -2.022 1.00 0.00 H new ATOM 0 HG LEU A 88 0.472 -0.159 -4.506 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.500 -0.567 -3.085 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.521 -2.039 -3.288 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.435 -1.115 -1.769 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.424 1.663 -3.112 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.675 1.192 -1.794 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.337 1.806 -3.327 1.00 0.00 H new ATOM 1174 N ASN A 89 4.856 -1.355 -4.753 1.00 0.00 N ATOM 1175 CA ASN A 89 6.022 -2.218 -4.912 1.00 0.00 C ATOM 1176 C ASN A 89 7.176 -1.770 -4.010 1.00 0.00 C ATOM 1177 O ASN A 89 7.944 -2.595 -3.522 1.00 0.00 O ATOM 1178 CB ASN A 89 6.455 -2.213 -6.381 1.00 0.00 C ATOM 1179 CG ASN A 89 7.604 -3.158 -6.666 1.00 0.00 C ATOM 1180 OD1 ASN A 89 8.767 -2.771 -6.615 1.00 0.00 O ATOM 1181 ND2 ASN A 89 7.280 -4.404 -6.985 1.00 0.00 N ATOM 0 H ASN A 89 4.453 -1.041 -5.636 1.00 0.00 H new ATOM 0 HA ASN A 89 5.751 -3.231 -4.614 1.00 0.00 H new ATOM 0 HB2 ASN A 89 5.604 -2.487 -7.005 1.00 0.00 H new ATOM 0 HB3 ASN A 89 6.746 -1.201 -6.664 1.00 0.00 H new ATOM 0 HD21 ASN A 89 8.011 -5.082 -7.200 1.00 0.00 H new ATOM 0 HD22 ASN A 89 6.300 -4.684 -7.016 1.00 0.00 H new ATOM 1187 N TYR A 90 7.265 -0.468 -3.752 1.00 0.00 N ATOM 1188 CA TYR A 90 8.324 0.060 -2.906 1.00 0.00 C ATOM 1189 C TYR A 90 7.765 0.713 -1.650 1.00 0.00 C ATOM 1190 O TYR A 90 8.430 1.540 -1.022 1.00 0.00 O ATOM 1191 CB TYR A 90 9.218 1.038 -3.678 1.00 0.00 C ATOM 1192 CG TYR A 90 8.489 1.929 -4.666 1.00 0.00 C ATOM 1193 CD1 TYR A 90 7.863 3.102 -4.261 1.00 0.00 C ATOM 1194 CD2 TYR A 90 8.448 1.596 -6.015 1.00 0.00 C ATOM 1195 CE1 TYR A 90 7.216 3.916 -5.173 1.00 0.00 C ATOM 1196 CE2 TYR A 90 7.802 2.404 -6.928 1.00 0.00 C ATOM 1197 CZ TYR A 90 7.188 3.561 -6.504 1.00 0.00 C ATOM 1198 OH TYR A 90 6.551 4.368 -7.416 1.00 0.00 O ATOM 0 H TYR A 90 6.620 0.234 -4.115 1.00 0.00 H new ATOM 0 HA TYR A 90 8.939 -0.784 -2.594 1.00 0.00 H new ATOM 0 HB2 TYR A 90 9.744 1.669 -2.962 1.00 0.00 H new ATOM 0 HB3 TYR A 90 9.975 0.468 -4.216 1.00 0.00 H new ATOM 0 HD1 TYR A 90 7.882 3.382 -3.218 1.00 0.00 H new ATOM 0 HD2 TYR A 90 8.929 0.691 -6.354 1.00 0.00 H new ATOM 0 HE1 TYR A 90 6.735 4.825 -4.844 1.00 0.00 H new ATOM 0 HE2 TYR A 90 7.778 2.130 -7.972 1.00 0.00 H new ATOM 0 HH TYR A 90 6.457 3.890 -8.266 1.00 0.00 H new ATOM 1207 N VAL A 91 6.541 0.345 -1.282 1.00 0.00 N ATOM 1208 CA VAL A 91 5.919 0.893 -0.082 1.00 0.00 C ATOM 1209 C VAL A 91 5.436 -0.233 0.832 1.00 0.00 C ATOM 1210 O VAL A 91 5.092 -0.006 1.993 1.00 0.00 O ATOM 1211 CB VAL A 91 4.763 1.878 -0.401 1.00 0.00 C ATOM 1212 CG1 VAL A 91 5.086 2.718 -1.606 1.00 0.00 C ATOM 1213 CG2 VAL A 91 3.430 1.194 -0.588 1.00 0.00 C ATOM 0 H VAL A 91 5.965 -0.324 -1.793 1.00 0.00 H new ATOM 0 HA VAL A 91 6.685 1.469 0.437 1.00 0.00 H new ATOM 0 HB VAL A 91 4.670 2.521 0.474 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.259 3.399 -1.807 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.992 3.293 -1.416 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.241 2.071 -2.469 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.666 1.940 -0.808 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.497 0.487 -1.415 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.164 0.660 0.324 1.00 0.00 H new ATOM 1223 N VAL A 92 5.434 -1.452 0.299 1.00 0.00 N ATOM 1224 CA VAL A 92 5.015 -2.626 1.050 1.00 0.00 C ATOM 1225 C VAL A 92 5.695 -3.884 0.515 1.00 0.00 C ATOM 1226 O VAL A 92 5.848 -4.059 -0.697 1.00 0.00 O ATOM 1227 CB VAL A 92 3.477 -2.804 1.028 1.00 0.00 C ATOM 1228 CG1 VAL A 92 2.944 -2.902 -0.389 1.00 0.00 C ATOM 1229 CG2 VAL A 92 3.048 -4.015 1.848 1.00 0.00 C ATOM 0 H VAL A 92 5.721 -1.650 -0.659 1.00 0.00 H new ATOM 0 HA VAL A 92 5.320 -2.471 2.085 1.00 0.00 H new ATOM 0 HB VAL A 92 3.046 -1.913 1.485 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.861 -3.026 -0.363 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.192 -1.991 -0.935 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.395 -3.759 -0.889 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.963 -4.113 1.813 1.00 0.00 H new ATOM 0 HG22 VAL A 92 3.507 -4.914 1.437 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.367 -3.886 2.882 1.00 0.00 H new ATOM 1239 N GLY A 93 6.126 -4.739 1.427 1.00 0.00 N ATOM 1240 CA GLY A 93 6.776 -5.968 1.045 1.00 0.00 C ATOM 1241 C GLY A 93 6.260 -7.149 1.831 1.00 0.00 C ATOM 1242 O GLY A 93 5.264 -7.042 2.549 1.00 0.00 O ATOM 0 H GLY A 93 6.035 -4.600 2.433 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.620 -6.145 -0.019 1.00 0.00 H new ATOM 0 HA3 GLY A 93 7.851 -5.872 1.198 1.00 0.00 H new ATOM 1246 N ASN A 94 6.944 -8.269 1.703 1.00 0.00 N ATOM 1247 CA ASN A 94 6.563 -9.488 2.394 1.00 0.00 C ATOM 1248 C ASN A 94 7.731 -10.029 3.198 1.00 0.00 C ATOM 1249 O ASN A 94 8.876 -9.994 2.743 1.00 0.00 O ATOM 1250 CB ASN A 94 6.109 -10.545 1.386 1.00 0.00 C ATOM 1251 CG ASN A 94 5.874 -11.904 2.026 1.00 0.00 C ATOM 1252 OD1 ASN A 94 5.391 -12.010 3.154 1.00 0.00 O ATOM 1253 ND2 ASN A 94 6.243 -12.953 1.315 1.00 0.00 N ATOM 0 H ASN A 94 7.776 -8.361 1.120 1.00 0.00 H new ATOM 0 HA ASN A 94 5.741 -9.255 3.071 1.00 0.00 H new ATOM 0 HB2 ASN A 94 5.190 -10.211 0.905 1.00 0.00 H new ATOM 0 HB3 ASN A 94 6.862 -10.642 0.604 1.00 0.00 H new ATOM 0 HD21 ASN A 94 6.132 -13.892 1.697 1.00 0.00 H new ATOM 0 HD22 ASN A 94 6.639 -12.824 0.384 1.00 0.00 H new ATOM 1259 N SER A 95 7.443 -10.511 4.389 1.00 0.00 N ATOM 1260 CA SER A 95 8.462 -11.081 5.238 1.00 0.00 C ATOM 1261 C SER A 95 7.847 -12.157 6.120 1.00 0.00 C ATOM 1262 O SER A 95 7.048 -11.860 7.010 1.00 0.00 O ATOM 1263 CB SER A 95 9.123 -9.998 6.087 1.00 0.00 C ATOM 1264 OG SER A 95 10.494 -10.290 6.312 1.00 0.00 O ATOM 0 H SER A 95 6.505 -10.518 4.791 1.00 0.00 H new ATOM 0 HA SER A 95 9.233 -11.533 4.614 1.00 0.00 H new ATOM 0 HB2 SER A 95 9.031 -9.033 5.588 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.605 -9.913 7.042 1.00 0.00 H new ATOM 0 HG SER A 95 10.894 -9.581 6.857 1.00 0.00 H new ATOM 1269 N TYR A 96 8.201 -13.406 5.829 1.00 0.00 N ATOM 1270 CA TYR A 96 7.707 -14.558 6.572 1.00 0.00 C ATOM 1271 C TYR A 96 6.193 -14.681 6.441 1.00 0.00 C ATOM 1272 O TYR A 96 5.488 -14.945 7.414 1.00 0.00 O ATOM 1273 CB TYR A 96 8.130 -14.478 8.044 1.00 0.00 C ATOM 1274 CG TYR A 96 9.627 -14.549 8.235 1.00 0.00 C ATOM 1275 CD1 TYR A 96 10.406 -13.398 8.234 1.00 0.00 C ATOM 1276 CD2 TYR A 96 10.263 -15.771 8.405 1.00 0.00 C ATOM 1277 CE1 TYR A 96 11.776 -13.465 8.398 1.00 0.00 C ATOM 1278 CE2 TYR A 96 11.630 -15.845 8.572 1.00 0.00 C ATOM 1279 CZ TYR A 96 12.382 -14.691 8.567 1.00 0.00 C ATOM 1280 OH TYR A 96 13.746 -14.764 8.732 1.00 0.00 O ATOM 0 H TYR A 96 8.839 -13.646 5.070 1.00 0.00 H new ATOM 0 HA TYR A 96 8.152 -15.456 6.143 1.00 0.00 H new ATOM 0 HB2 TYR A 96 7.759 -13.547 8.472 1.00 0.00 H new ATOM 0 HB3 TYR A 96 7.660 -15.292 8.596 1.00 0.00 H new ATOM 0 HD1 TYR A 96 9.933 -12.436 8.103 1.00 0.00 H new ATOM 0 HD2 TYR A 96 9.678 -16.679 8.407 1.00 0.00 H new ATOM 0 HE1 TYR A 96 12.368 -12.562 8.394 1.00 0.00 H new ATOM 0 HE2 TYR A 96 12.109 -16.804 8.706 1.00 0.00 H new ATOM 0 HH TYR A 96 14.013 -15.701 8.839 1.00 0.00 H new ATOM 1289 N GLY A 97 5.710 -14.485 5.215 1.00 0.00 N ATOM 1290 CA GLY A 97 4.290 -14.590 4.928 1.00 0.00 C ATOM 1291 C GLY A 97 3.443 -13.608 5.705 1.00 0.00 C ATOM 1292 O GLY A 97 2.256 -13.853 5.937 1.00 0.00 O ATOM 0 H GLY A 97 6.287 -14.252 4.407 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.130 -14.431 3.862 1.00 0.00 H new ATOM 0 HA3 GLY A 97 3.956 -15.603 5.153 1.00 0.00 H new ATOM 1296 N TYR A 98 4.035 -12.501 6.114 1.00 0.00 N ATOM 1297 CA TYR A 98 3.313 -11.504 6.866 1.00 0.00 C ATOM 1298 C TYR A 98 3.518 -10.127 6.265 1.00 0.00 C ATOM 1299 O TYR A 98 4.564 -9.842 5.674 1.00 0.00 O ATOM 1300 CB TYR A 98 3.763 -11.519 8.321 1.00 0.00 C ATOM 1301 CG TYR A 98 2.644 -11.845 9.283 1.00 0.00 C ATOM 1302 CD1 TYR A 98 2.368 -13.161 9.628 1.00 0.00 C ATOM 1303 CD2 TYR A 98 1.854 -10.842 9.834 1.00 0.00 C ATOM 1304 CE1 TYR A 98 1.340 -13.469 10.495 1.00 0.00 C ATOM 1305 CE2 TYR A 98 0.824 -11.144 10.705 1.00 0.00 C ATOM 1306 CZ TYR A 98 0.572 -12.459 11.032 1.00 0.00 C ATOM 1307 OH TYR A 98 -0.456 -12.769 11.894 1.00 0.00 O ATOM 0 H TYR A 98 5.013 -12.274 5.936 1.00 0.00 H new ATOM 0 HA TYR A 98 2.250 -11.740 6.823 1.00 0.00 H new ATOM 0 HB2 TYR A 98 4.562 -12.251 8.441 1.00 0.00 H new ATOM 0 HB3 TYR A 98 4.182 -10.545 8.576 1.00 0.00 H new ATOM 0 HD1 TYR A 98 2.968 -13.957 9.211 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.048 -9.811 9.577 1.00 0.00 H new ATOM 0 HE1 TYR A 98 1.138 -14.498 10.752 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.220 -10.354 11.127 1.00 0.00 H new ATOM 0 HH TYR A 98 -0.899 -11.945 12.184 1.00 0.00 H new ATOM 1316 N MET A 99 2.495 -9.295 6.402 1.00 0.00 N ATOM 1317 CA MET A 99 2.522 -7.936 5.885 1.00 0.00 C ATOM 1318 C MET A 99 3.690 -7.133 6.453 1.00 0.00 C ATOM 1319 O MET A 99 3.792 -6.926 7.662 1.00 0.00 O ATOM 1320 CB MET A 99 1.208 -7.209 6.201 1.00 0.00 C ATOM 1321 CG MET A 99 0.899 -7.092 7.687 1.00 0.00 C ATOM 1322 SD MET A 99 -0.373 -5.864 8.039 1.00 0.00 S ATOM 1323 CE MET A 99 -0.494 -6.004 9.820 1.00 0.00 C ATOM 0 H MET A 99 1.625 -9.543 6.874 1.00 0.00 H new ATOM 0 HA MET A 99 2.649 -8.011 4.805 1.00 0.00 H new ATOM 0 HB2 MET A 99 1.247 -6.209 5.770 1.00 0.00 H new ATOM 0 HB3 MET A 99 0.388 -7.735 5.712 1.00 0.00 H new ATOM 0 HG2 MET A 99 0.576 -8.062 8.064 1.00 0.00 H new ATOM 0 HG3 MET A 99 1.810 -6.829 8.224 1.00 0.00 H new ATOM 0 HE1 MET A 99 -1.243 -5.304 10.190 1.00 0.00 H new ATOM 0 HE2 MET A 99 -0.784 -7.020 10.086 1.00 0.00 H new ATOM 0 HE3 MET A 99 0.472 -5.773 10.270 1.00 0.00 H new ATOM 1331 N GLU A 100 4.571 -6.692 5.571 1.00 0.00 N ATOM 1332 CA GLU A 100 5.715 -5.883 5.962 1.00 0.00 C ATOM 1333 C GLU A 100 5.824 -4.680 5.044 1.00 0.00 C ATOM 1334 O GLU A 100 6.637 -4.654 4.122 1.00 0.00 O ATOM 1335 CB GLU A 100 7.005 -6.699 5.934 1.00 0.00 C ATOM 1336 CG GLU A 100 7.207 -7.542 7.179 1.00 0.00 C ATOM 1337 CD GLU A 100 7.439 -6.704 8.419 1.00 0.00 C ATOM 1338 OE1 GLU A 100 8.427 -5.944 8.456 1.00 0.00 O ATOM 1339 OE2 GLU A 100 6.640 -6.811 9.373 1.00 0.00 O ATOM 0 H GLU A 100 4.515 -6.882 4.570 1.00 0.00 H new ATOM 0 HA GLU A 100 5.565 -5.541 6.986 1.00 0.00 H new ATOM 0 HB2 GLU A 100 6.996 -7.350 5.060 1.00 0.00 H new ATOM 0 HB3 GLU A 100 7.852 -6.023 5.820 1.00 0.00 H new ATOM 0 HG2 GLU A 100 6.332 -8.174 7.331 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.058 -8.206 7.029 1.00 0.00 H new ATOM 1344 N PRO A 101 4.969 -3.679 5.264 1.00 0.00 N ATOM 1345 CA PRO A 101 4.952 -2.463 4.458 1.00 0.00 C ATOM 1346 C PRO A 101 6.146 -1.568 4.725 1.00 0.00 C ATOM 1347 O PRO A 101 6.107 -0.673 5.571 1.00 0.00 O ATOM 1348 CB PRO A 101 3.665 -1.775 4.871 1.00 0.00 C ATOM 1349 CG PRO A 101 3.398 -2.261 6.253 1.00 0.00 C ATOM 1350 CD PRO A 101 3.944 -3.656 6.322 1.00 0.00 C ATOM 0 HA PRO A 101 5.004 -2.687 3.393 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.771 -0.690 4.847 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.847 -2.030 4.197 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.879 -1.618 6.991 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.330 -2.251 6.469 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.373 -3.871 7.301 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.167 -4.400 6.144 1.00 0.00 H new ATOM 1355 N CYS A 102 7.203 -1.829 3.998 1.00 0.00 N ATOM 1356 CA CYS A 102 8.422 -1.067 4.120 1.00 0.00 C ATOM 1357 C CYS A 102 8.641 -0.234 2.871 1.00 0.00 C ATOM 1358 O CYS A 102 8.514 -0.723 1.750 1.00 0.00 O ATOM 1359 CB CYS A 102 9.613 -1.995 4.372 1.00 0.00 C ATOM 1360 SG CYS A 102 9.591 -3.528 3.384 1.00 0.00 S ATOM 0 H CYS A 102 7.244 -2.576 3.304 1.00 0.00 H new ATOM 0 HA CYS A 102 8.333 -0.395 4.973 1.00 0.00 H new ATOM 0 HB2 CYS A 102 10.534 -1.452 4.158 1.00 0.00 H new ATOM 0 HB3 CYS A 102 9.636 -2.258 5.429 1.00 0.00 H new