USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 665 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 50 ASN : amide:sc= -0.219 K(o=-1.1,f=-9.7!) USER MOD Set 1.2: A 58 THR OG1 : rot -110:sc= -0.852 USER MOD Set 2.1: A 25 THR OG1 : rot 88:sc= 1.27 USER MOD Set 2.2: A 31 TYR OH : rot -11:sc= 0.0602 USER MOD Set 3.1: A 10 THR OG1 : rot 170:sc= 0.204 USER MOD Set 3.2: A 14 CYS SG : rot 112:sc= -0.856! USER MOD Set 4.1: A 9 TYR OH : rot 30:sc= 0.505 USER MOD Set 4.2: A 60 LYS NZ :NH3+ -156:sc= 0.545 (180deg=0) USER MOD Single : A 1 MET CE :methyl -161:sc= -0.124 (180deg=-0.563) USER MOD Single : A 1 MET N :NH3+ -113:sc= 0.0414 (180deg=-0.0274) USER MOD Single : A 3 THR OG1 : rot -37:sc= 0.24 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 153:sc= -0.219 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= -0.752 USER MOD Single : A 21 LYS NZ :NH3+ 168:sc= 0.0451 (180deg=-0.344) USER MOD Single : A 22 THR OG1 : rot 73:sc= 1.06 USER MOD Single : A 27 ASN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= 0.171 K(o=0.17,f=-7.3!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -1.8! C(o=-1.8!,f=-14!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 90:sc= 1 USER MOD Single : A 66 THR OG1 : rot 120:sc= -0.134 USER MOD Single : A 68 THR OG1 : rot -84:sc= 0.681 USER MOD Single : A 69 ASN : amide:sc= -0.13 K(o=-0.13,f=-1) USER MOD Single : A 71 SER OG : rot 180:sc= -0.004 USER MOD Single : A 76 LYS NZ :NH3+ 171:sc=-0.00628 (180deg=-0.0818) USER MOD Single : A 78 LYS NZ :NH3+ -168:sc= 1.19 (180deg=1.01) USER MOD Single : A 81 LYS NZ :NH3+ 157:sc= 1.21 (180deg=0.61) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.113 12.458 7.423 1.00 0.00 N ATOM 2 CA MET A 1 13.591 11.332 8.180 1.00 0.00 C ATOM 3 C MET A 1 12.156 11.101 7.804 1.00 0.00 C ATOM 4 O MET A 1 11.413 12.057 7.552 1.00 0.00 O ATOM 5 CB MET A 1 13.698 11.579 9.688 1.00 0.00 C ATOM 6 CG MET A 1 15.120 11.607 10.210 1.00 0.00 C ATOM 7 SD MET A 1 15.968 10.029 9.989 1.00 0.00 S ATOM 8 CE MET A 1 14.980 8.952 11.039 1.00 0.00 C ATOM 0 H1 MET A 1 14.840 12.123 6.759 1.00 0.00 H new ATOM 0 H2 MET A 1 13.340 12.908 6.892 1.00 0.00 H new ATOM 0 H3 MET A 1 14.534 13.150 8.076 1.00 0.00 H new ATOM 0 HA MET A 1 14.185 10.450 7.940 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.216 12.528 9.925 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.145 10.800 10.213 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.677 12.390 9.696 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.110 11.865 11.269 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.550 8.054 11.278 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.725 9.476 11.960 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.065 8.673 10.516 1.00 0.00 H new ATOM 20 N VAL A 2 11.757 9.861 7.751 1.00 0.00 N ATOM 21 CA VAL A 2 10.408 9.521 7.403 1.00 0.00 C ATOM 22 C VAL A 2 9.851 8.579 8.480 1.00 0.00 C ATOM 23 O VAL A 2 10.606 7.783 9.062 1.00 0.00 O ATOM 24 CB VAL A 2 10.345 8.899 5.968 1.00 0.00 C ATOM 25 CG1 VAL A 2 11.038 7.547 5.875 1.00 0.00 C ATOM 26 CG2 VAL A 2 8.932 8.833 5.450 1.00 0.00 C ATOM 0 H VAL A 2 12.357 9.060 7.948 1.00 0.00 H new ATOM 0 HA VAL A 2 9.786 10.416 7.371 1.00 0.00 H new ATOM 0 HB VAL A 2 10.904 9.575 5.321 1.00 0.00 H new ATOM 0 HG11 VAL A 2 10.960 7.168 4.856 1.00 0.00 H new ATOM 0 HG12 VAL A 2 12.089 7.658 6.142 1.00 0.00 H new ATOM 0 HG13 VAL A 2 10.562 6.846 6.561 1.00 0.00 H new ATOM 0 HG21 VAL A 2 8.931 8.395 4.452 1.00 0.00 H new ATOM 0 HG22 VAL A 2 8.328 8.217 6.117 1.00 0.00 H new ATOM 0 HG23 VAL A 2 8.513 9.838 5.406 1.00 0.00 H new ATOM 36 N THR A 3 8.573 8.689 8.792 1.00 0.00 N ATOM 37 CA THR A 3 8.015 7.892 9.864 1.00 0.00 C ATOM 38 C THR A 3 6.958 6.908 9.340 1.00 0.00 C ATOM 39 O THR A 3 6.374 6.129 10.104 1.00 0.00 O ATOM 40 CB THR A 3 7.441 8.803 11.000 1.00 0.00 C ATOM 41 OG1 THR A 3 7.118 8.034 12.177 1.00 0.00 O ATOM 42 CG2 THR A 3 6.202 9.574 10.545 1.00 0.00 C ATOM 0 H THR A 3 7.913 9.312 8.326 1.00 0.00 H new ATOM 0 HA THR A 3 8.822 7.299 10.293 1.00 0.00 H new ATOM 0 HB THR A 3 8.225 9.520 11.244 1.00 0.00 H new ATOM 0 HG1 THR A 3 6.752 7.165 11.910 1.00 0.00 H new ATOM 0 HG21 THR A 3 5.837 10.193 11.365 1.00 0.00 H new ATOM 0 HG22 THR A 3 6.460 10.209 9.697 1.00 0.00 H new ATOM 0 HG23 THR A 3 5.424 8.870 10.248 1.00 0.00 H new ATOM 50 N ALA A 4 6.725 6.937 8.058 1.00 0.00 N ATOM 51 CA ALA A 4 5.787 6.044 7.442 1.00 0.00 C ATOM 52 C ALA A 4 6.433 5.419 6.236 1.00 0.00 C ATOM 53 O ALA A 4 7.309 6.022 5.629 1.00 0.00 O ATOM 54 CB ALA A 4 4.513 6.786 7.049 1.00 0.00 C ATOM 0 H ALA A 4 7.181 7.581 7.411 1.00 0.00 H new ATOM 0 HA ALA A 4 5.507 5.264 8.150 1.00 0.00 H new ATOM 0 HB1 ALA A 4 3.815 6.090 6.584 1.00 0.00 H new ATOM 0 HB2 ALA A 4 4.055 7.219 7.938 1.00 0.00 H new ATOM 0 HB3 ALA A 4 4.757 7.580 6.344 1.00 0.00 H new ATOM 60 N ALA A 5 6.052 4.211 5.929 1.00 0.00 N ATOM 61 CA ALA A 5 6.561 3.529 4.768 1.00 0.00 C ATOM 62 C ALA A 5 5.525 3.611 3.655 1.00 0.00 C ATOM 63 O ALA A 5 5.742 4.262 2.618 1.00 0.00 O ATOM 64 CB ALA A 5 6.876 2.074 5.118 1.00 0.00 C ATOM 0 H ALA A 5 5.381 3.670 6.474 1.00 0.00 H new ATOM 0 HA ALA A 5 7.483 4.001 4.429 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.261 1.563 4.236 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.624 2.044 5.910 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.968 1.577 5.458 1.00 0.00 H new ATOM 70 N LEU A 6 4.381 2.993 3.901 1.00 0.00 N ATOM 71 CA LEU A 6 3.269 3.004 2.986 1.00 0.00 C ATOM 72 C LEU A 6 1.999 2.605 3.715 1.00 0.00 C ATOM 73 O LEU A 6 2.038 1.829 4.683 1.00 0.00 O ATOM 74 CB LEU A 6 3.529 2.182 1.656 1.00 0.00 C ATOM 75 CG LEU A 6 3.775 0.643 1.679 1.00 0.00 C ATOM 76 CD1 LEU A 6 4.837 0.182 2.648 1.00 0.00 C ATOM 77 CD2 LEU A 6 2.494 -0.132 1.809 1.00 0.00 C ATOM 0 H LEU A 6 4.204 2.465 4.755 1.00 0.00 H new ATOM 0 HA LEU A 6 3.140 4.025 2.628 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.672 2.355 1.005 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.394 2.633 1.170 1.00 0.00 H new ATOM 0 HG LEU A 6 4.196 0.415 0.700 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.935 -0.902 2.591 1.00 0.00 H new ATOM 0 HD12 LEU A 6 5.789 0.647 2.392 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.554 0.468 3.661 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.714 -1.199 1.821 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.993 0.146 2.737 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.844 0.095 0.964 1.00 0.00 H new ATOM 89 N THR A 7 0.906 3.170 3.304 1.00 0.00 N ATOM 90 CA THR A 7 -0.355 2.940 3.944 1.00 0.00 C ATOM 91 C THR A 7 -1.338 2.295 2.972 1.00 0.00 C ATOM 92 O THR A 7 -1.468 2.729 1.822 1.00 0.00 O ATOM 93 CB THR A 7 -0.912 4.269 4.491 1.00 0.00 C ATOM 94 OG1 THR A 7 0.112 4.890 5.302 1.00 0.00 O ATOM 95 CG2 THR A 7 -2.154 4.036 5.350 1.00 0.00 C ATOM 0 H THR A 7 0.862 3.808 2.510 1.00 0.00 H new ATOM 0 HA THR A 7 -0.211 2.253 4.778 1.00 0.00 H new ATOM 0 HB THR A 7 -1.192 4.908 3.653 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.223 5.739 5.658 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.524 4.992 5.722 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.927 3.556 4.750 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.898 3.394 6.193 1.00 0.00 H new ATOM 103 N ILE A 8 -1.981 1.257 3.437 1.00 0.00 N ATOM 104 CA ILE A 8 -2.925 0.489 2.676 1.00 0.00 C ATOM 105 C ILE A 8 -4.350 0.997 2.876 1.00 0.00 C ATOM 106 O ILE A 8 -4.802 1.191 4.011 1.00 0.00 O ATOM 107 CB ILE A 8 -2.842 -1.014 3.082 1.00 0.00 C ATOM 108 CG1 ILE A 8 -1.512 -1.635 2.643 1.00 0.00 C ATOM 109 CG2 ILE A 8 -4.029 -1.813 2.571 1.00 0.00 C ATOM 110 CD1 ILE A 8 -1.347 -3.081 3.058 1.00 0.00 C ATOM 0 H ILE A 8 -1.856 0.913 4.389 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.670 0.599 1.622 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.883 -1.054 4.170 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.430 -1.566 1.558 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.693 -1.051 3.062 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.927 -2.854 2.879 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.950 -1.401 2.984 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.063 -1.758 1.483 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.382 -3.451 2.712 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.396 -3.156 4.144 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.144 -3.679 2.617 1.00 0.00 H new ATOM 122 N TYR A 9 -5.021 1.239 1.772 1.00 0.00 N ATOM 123 CA TYR A 9 -6.420 1.582 1.767 1.00 0.00 C ATOM 124 C TYR A 9 -7.196 0.435 1.187 1.00 0.00 C ATOM 125 O TYR A 9 -6.948 0.036 0.041 1.00 0.00 O ATOM 126 CB TYR A 9 -6.696 2.822 0.928 1.00 0.00 C ATOM 127 CG TYR A 9 -6.047 4.074 1.417 1.00 0.00 C ATOM 128 CD1 TYR A 9 -6.427 4.644 2.615 1.00 0.00 C ATOM 129 CD2 TYR A 9 -5.079 4.704 0.670 1.00 0.00 C ATOM 130 CE1 TYR A 9 -5.855 5.812 3.062 1.00 0.00 C ATOM 131 CE2 TYR A 9 -4.499 5.865 1.105 1.00 0.00 C ATOM 132 CZ TYR A 9 -4.887 6.422 2.300 1.00 0.00 C ATOM 133 OH TYR A 9 -4.299 7.592 2.732 1.00 0.00 O ATOM 0 H TYR A 9 -4.603 1.202 0.843 1.00 0.00 H new ATOM 0 HA TYR A 9 -6.720 1.788 2.794 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.363 2.633 -0.092 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.773 2.982 0.887 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -7.188 4.164 3.213 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.772 4.277 -0.273 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.163 6.246 4.002 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -3.736 6.344 0.509 1.00 0.00 H new ATOM 0 HH TYR A 9 -4.288 7.610 3.712 1.00 0.00 H new ATOM 143 N THR A 10 -8.083 -0.123 1.968 1.00 0.00 N ATOM 144 CA THR A 10 -8.919 -1.196 1.521 1.00 0.00 C ATOM 145 C THR A 10 -10.096 -1.354 2.507 1.00 0.00 C ATOM 146 O THR A 10 -10.280 -0.505 3.408 1.00 0.00 O ATOM 147 CB THR A 10 -8.092 -2.525 1.381 1.00 0.00 C ATOM 148 OG1 THR A 10 -8.870 -3.565 0.757 1.00 0.00 O ATOM 149 CG2 THR A 10 -7.581 -3.002 2.733 1.00 0.00 C ATOM 0 H THR A 10 -8.243 0.158 2.935 1.00 0.00 H new ATOM 0 HA THR A 10 -9.318 -0.968 0.532 1.00 0.00 H new ATOM 0 HB THR A 10 -7.236 -2.303 0.743 1.00 0.00 H new ATOM 0 HG1 THR A 10 -8.288 -4.322 0.537 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.013 -3.923 2.603 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.938 -2.238 3.169 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.426 -3.187 3.396 1.00 0.00 H new ATOM 157 N THR A 11 -10.867 -2.397 2.332 1.00 0.00 N ATOM 158 CA THR A 11 -11.991 -2.700 3.163 1.00 0.00 C ATOM 159 C THR A 11 -11.786 -4.079 3.769 1.00 0.00 C ATOM 160 O THR A 11 -10.955 -4.855 3.284 1.00 0.00 O ATOM 161 CB THR A 11 -13.294 -2.715 2.336 1.00 0.00 C ATOM 162 OG1 THR A 11 -13.143 -3.582 1.204 1.00 0.00 O ATOM 163 CG2 THR A 11 -13.663 -1.333 1.853 1.00 0.00 C ATOM 0 H THR A 11 -10.721 -3.075 1.584 1.00 0.00 H new ATOM 0 HA THR A 11 -12.074 -1.939 3.939 1.00 0.00 H new ATOM 0 HB THR A 11 -14.092 -3.077 2.985 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.019 -3.938 0.945 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.586 -1.384 1.275 1.00 0.00 H new ATOM 0 HG22 THR A 11 -13.808 -0.675 2.710 1.00 0.00 H new ATOM 0 HG23 THR A 11 -12.863 -0.941 1.225 1.00 0.00 H new ATOM 171 N SER A 12 -12.536 -4.403 4.791 1.00 0.00 N ATOM 172 CA SER A 12 -12.431 -5.706 5.412 1.00 0.00 C ATOM 173 C SER A 12 -13.165 -6.797 4.607 1.00 0.00 C ATOM 174 O SER A 12 -13.042 -7.974 4.897 1.00 0.00 O ATOM 175 CB SER A 12 -12.928 -5.642 6.849 1.00 0.00 C ATOM 176 OG SER A 12 -12.125 -4.736 7.618 1.00 0.00 O ATOM 0 H SER A 12 -13.228 -3.784 5.214 1.00 0.00 H new ATOM 0 HA SER A 12 -11.378 -5.988 5.420 1.00 0.00 H new ATOM 0 HB2 SER A 12 -13.969 -5.319 6.866 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.895 -6.636 7.296 1.00 0.00 H new ATOM 0 HG SER A 12 -12.458 -4.705 8.539 1.00 0.00 H new ATOM 182 N TRP A 13 -13.905 -6.399 3.586 1.00 0.00 N ATOM 183 CA TRP A 13 -14.614 -7.357 2.746 1.00 0.00 C ATOM 184 C TRP A 13 -13.896 -7.570 1.424 1.00 0.00 C ATOM 185 O TRP A 13 -14.357 -8.323 0.560 1.00 0.00 O ATOM 186 CB TRP A 13 -16.082 -6.949 2.528 1.00 0.00 C ATOM 187 CG TRP A 13 -16.290 -5.523 2.088 1.00 0.00 C ATOM 188 CD1 TRP A 13 -16.559 -4.474 2.900 1.00 0.00 C ATOM 189 CD2 TRP A 13 -16.252 -4.992 0.749 1.00 0.00 C ATOM 190 NE1 TRP A 13 -16.707 -3.334 2.175 1.00 0.00 N ATOM 191 CE2 TRP A 13 -16.520 -3.613 0.848 1.00 0.00 C ATOM 192 CE3 TRP A 13 -16.022 -5.543 -0.518 1.00 0.00 C ATOM 193 CZ2 TRP A 13 -16.563 -2.777 -0.262 1.00 0.00 C ATOM 194 CZ3 TRP A 13 -16.063 -4.711 -1.621 1.00 0.00 C ATOM 195 CH2 TRP A 13 -16.333 -3.343 -1.487 1.00 0.00 C ATOM 0 H TRP A 13 -14.032 -5.423 3.317 1.00 0.00 H new ATOM 0 HA TRP A 13 -14.620 -8.309 3.276 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -16.520 -7.611 1.781 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -16.629 -7.110 3.457 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -16.644 -4.535 3.975 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -16.924 -2.414 2.560 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -15.817 -6.597 -0.631 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -16.770 -1.722 -0.162 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -15.884 -5.123 -2.603 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -16.360 -2.721 -2.370 1.00 0.00 H new ATOM 206 N CYS A 14 -12.772 -6.927 1.272 1.00 0.00 N ATOM 207 CA CYS A 14 -11.992 -7.045 0.075 1.00 0.00 C ATOM 208 C CYS A 14 -11.137 -8.302 0.171 1.00 0.00 C ATOM 209 O CYS A 14 -10.302 -8.421 1.067 1.00 0.00 O ATOM 210 CB CYS A 14 -11.113 -5.799 -0.089 1.00 0.00 C ATOM 211 SG CYS A 14 -10.122 -5.749 -1.600 1.00 0.00 S ATOM 0 H CYS A 14 -12.372 -6.306 1.976 1.00 0.00 H new ATOM 0 HA CYS A 14 -12.642 -7.122 -0.796 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -11.753 -4.917 -0.064 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -10.443 -5.731 0.768 1.00 0.00 H new ATOM 0 HG CYS A 14 -10.556 -4.797 -2.372 1.00 0.00 H new ATOM 217 N GLY A 15 -11.346 -9.235 -0.742 1.00 0.00 N ATOM 218 CA GLY A 15 -10.617 -10.491 -0.722 1.00 0.00 C ATOM 219 C GLY A 15 -9.134 -10.312 -0.956 1.00 0.00 C ATOM 220 O GLY A 15 -8.324 -11.151 -0.543 1.00 0.00 O ATOM 0 H GLY A 15 -12.015 -9.146 -1.507 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.772 -10.980 0.240 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.023 -11.154 -1.486 1.00 0.00 H new ATOM 224 N TYR A 16 -8.765 -9.228 -1.613 1.00 0.00 N ATOM 225 CA TYR A 16 -7.366 -8.942 -1.830 1.00 0.00 C ATOM 226 C TYR A 16 -6.724 -8.276 -0.622 1.00 0.00 C ATOM 227 O TYR A 16 -5.512 -8.165 -0.571 1.00 0.00 O ATOM 228 CB TYR A 16 -7.100 -8.099 -3.084 1.00 0.00 C ATOM 229 CG TYR A 16 -7.406 -8.775 -4.407 1.00 0.00 C ATOM 230 CD1 TYR A 16 -7.123 -10.119 -4.619 1.00 0.00 C ATOM 231 CD2 TYR A 16 -7.956 -8.053 -5.455 1.00 0.00 C ATOM 232 CE1 TYR A 16 -7.391 -10.719 -5.834 1.00 0.00 C ATOM 233 CE2 TYR A 16 -8.227 -8.648 -6.669 1.00 0.00 C ATOM 234 CZ TYR A 16 -7.942 -9.981 -6.852 1.00 0.00 C ATOM 235 OH TYR A 16 -8.213 -10.582 -8.065 1.00 0.00 O ATOM 0 H TYR A 16 -9.410 -8.539 -2.001 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.905 -9.917 -1.987 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -7.692 -7.186 -3.018 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.052 -7.800 -3.083 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -6.687 -10.703 -3.822 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -8.176 -7.005 -5.318 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -7.168 -11.765 -5.983 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -8.661 -8.070 -7.472 1.00 0.00 H new ATOM 0 HH TYR A 16 -8.602 -9.923 -8.677 1.00 0.00 H new ATOM 245 N CYS A 17 -7.530 -7.852 0.357 1.00 0.00 N ATOM 246 CA CYS A 17 -6.998 -7.197 1.553 1.00 0.00 C ATOM 247 C CYS A 17 -6.070 -8.140 2.293 1.00 0.00 C ATOM 248 O CYS A 17 -4.859 -7.909 2.361 1.00 0.00 O ATOM 249 CB CYS A 17 -8.131 -6.742 2.485 1.00 0.00 C ATOM 250 SG CYS A 17 -7.573 -6.132 4.094 1.00 0.00 S ATOM 0 H CYS A 17 -8.545 -7.950 0.344 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.441 -6.315 1.236 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.700 -5.956 1.989 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -8.813 -7.577 2.643 1.00 0.00 H new ATOM 0 HG CYS A 17 -8.602 -5.772 4.802 1.00 0.00 H new ATOM 256 N LEU A 18 -6.626 -9.252 2.759 1.00 0.00 N ATOM 257 CA LEU A 18 -5.864 -10.239 3.497 1.00 0.00 C ATOM 258 C LEU A 18 -4.822 -10.906 2.620 1.00 0.00 C ATOM 259 O LEU A 18 -3.752 -11.271 3.084 1.00 0.00 O ATOM 260 CB LEU A 18 -6.764 -11.263 4.284 1.00 0.00 C ATOM 261 CG LEU A 18 -7.801 -12.179 3.545 1.00 0.00 C ATOM 262 CD1 LEU A 18 -8.848 -11.408 2.757 1.00 0.00 C ATOM 263 CD2 LEU A 18 -7.144 -13.259 2.696 1.00 0.00 C ATOM 0 H LEU A 18 -7.610 -9.489 2.635 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.322 -9.699 4.273 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.090 -11.924 4.829 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.320 -10.691 5.027 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.337 -12.686 4.348 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.529 -12.109 2.274 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -9.410 -10.763 3.433 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.357 -10.799 1.999 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.914 -13.859 2.211 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.515 -12.793 1.937 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.532 -13.899 3.331 1.00 0.00 H new ATOM 275 N ARG A 19 -5.122 -10.985 1.335 1.00 0.00 N ATOM 276 CA ARG A 19 -4.225 -11.582 0.359 1.00 0.00 C ATOM 277 C ARG A 19 -2.924 -10.770 0.300 1.00 0.00 C ATOM 278 O ARG A 19 -1.812 -11.325 0.311 1.00 0.00 O ATOM 279 CB ARG A 19 -4.905 -11.597 -1.014 1.00 0.00 C ATOM 280 CG ARG A 19 -4.171 -12.384 -2.088 1.00 0.00 C ATOM 281 CD ARG A 19 -4.063 -13.848 -1.705 1.00 0.00 C ATOM 282 NE ARG A 19 -3.462 -14.667 -2.756 1.00 0.00 N ATOM 283 CZ ARG A 19 -2.748 -15.775 -2.532 1.00 0.00 C ATOM 284 NH1 ARG A 19 -2.515 -16.181 -1.283 1.00 0.00 N ATOM 285 NH2 ARG A 19 -2.259 -16.466 -3.556 1.00 0.00 N ATOM 0 H ARG A 19 -5.995 -10.637 0.938 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.990 -12.606 0.649 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.907 -12.012 -0.902 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.023 -10.569 -1.355 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.698 -12.290 -3.038 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.174 -11.967 -2.233 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.468 -13.938 -0.796 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.057 -14.233 -1.475 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.596 -14.374 -3.724 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.882 -15.646 -0.496 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.970 -17.027 -1.115 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.428 -16.151 -4.511 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.714 -17.311 -3.387 1.00 0.00 H new ATOM 299 N LEU A 20 -3.077 -9.462 0.281 1.00 0.00 N ATOM 300 CA LEU A 20 -1.962 -8.554 0.251 1.00 0.00 C ATOM 301 C LEU A 20 -1.249 -8.517 1.607 1.00 0.00 C ATOM 302 O LEU A 20 -0.012 -8.446 1.662 1.00 0.00 O ATOM 303 CB LEU A 20 -2.433 -7.160 -0.164 1.00 0.00 C ATOM 304 CG LEU A 20 -1.385 -6.056 -0.156 1.00 0.00 C ATOM 305 CD1 LEU A 20 -0.231 -6.356 -1.111 1.00 0.00 C ATOM 306 CD2 LEU A 20 -2.012 -4.726 -0.479 1.00 0.00 C ATOM 0 H LEU A 20 -3.987 -9.001 0.286 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.243 -8.909 -0.487 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.850 -7.226 -1.169 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.245 -6.863 0.499 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.969 -6.011 0.850 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.493 -5.542 -1.073 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.253 -7.287 -0.816 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.615 -6.453 -2.126 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.246 -3.950 -0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.470 -4.770 -1.467 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.775 -4.493 0.264 1.00 0.00 H new ATOM 318 N LYS A 21 -2.024 -8.585 2.699 1.00 0.00 N ATOM 319 CA LYS A 21 -1.452 -8.605 4.060 1.00 0.00 C ATOM 320 C LYS A 21 -0.480 -9.777 4.187 1.00 0.00 C ATOM 321 O LYS A 21 0.630 -9.630 4.734 1.00 0.00 O ATOM 322 CB LYS A 21 -2.541 -8.754 5.131 1.00 0.00 C ATOM 323 CG LYS A 21 -3.635 -7.696 5.136 1.00 0.00 C ATOM 324 CD LYS A 21 -3.117 -6.298 5.388 1.00 0.00 C ATOM 325 CE LYS A 21 -4.272 -5.307 5.472 1.00 0.00 C ATOM 326 NZ LYS A 21 -5.174 -5.589 6.616 1.00 0.00 N ATOM 0 H LYS A 21 -3.043 -8.627 2.671 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.938 -7.657 4.217 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.010 -9.730 5.007 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.060 -8.753 6.109 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.154 -7.716 4.178 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.369 -7.947 5.901 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.545 -6.278 6.315 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.437 -6.006 4.588 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.875 -4.296 5.566 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.844 -5.340 4.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.819 -4.785 6.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.728 -6.447 6.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.608 -5.733 7.477 1.00 0.00 H new ATOM 340 N THR A 22 -0.901 -10.928 3.650 1.00 0.00 N ATOM 341 CA THR A 22 -0.093 -12.132 3.623 1.00 0.00 C ATOM 342 C THR A 22 1.237 -11.856 2.900 1.00 0.00 C ATOM 343 O THR A 22 2.319 -12.045 3.471 1.00 0.00 O ATOM 344 CB THR A 22 -0.852 -13.273 2.880 1.00 0.00 C ATOM 345 OG1 THR A 22 -2.127 -13.517 3.506 1.00 0.00 O ATOM 346 CG2 THR A 22 -0.049 -14.565 2.868 1.00 0.00 C ATOM 0 H THR A 22 -1.820 -11.041 3.221 1.00 0.00 H new ATOM 0 HA THR A 22 0.106 -12.439 4.650 1.00 0.00 H new ATOM 0 HB THR A 22 -1.000 -12.946 1.851 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.737 -12.777 3.304 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.610 -15.337 2.342 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.902 -14.398 2.361 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.138 -14.887 3.893 1.00 0.00 H new ATOM 354 N ALA A 23 1.130 -11.325 1.685 1.00 0.00 N ATOM 355 CA ALA A 23 2.278 -11.063 0.823 1.00 0.00 C ATOM 356 C ALA A 23 3.299 -10.149 1.490 1.00 0.00 C ATOM 357 O ALA A 23 4.503 -10.436 1.483 1.00 0.00 O ATOM 358 CB ALA A 23 1.819 -10.473 -0.505 1.00 0.00 C ATOM 0 H ALA A 23 0.237 -11.063 1.268 1.00 0.00 H new ATOM 0 HA ALA A 23 2.772 -12.017 0.638 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.686 -10.283 -1.138 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.153 -11.176 -1.005 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.290 -9.538 -0.324 1.00 0.00 H new ATOM 364 N LEU A 24 2.825 -9.071 2.092 1.00 0.00 N ATOM 365 CA LEU A 24 3.722 -8.112 2.733 1.00 0.00 C ATOM 366 C LEU A 24 4.347 -8.687 3.988 1.00 0.00 C ATOM 367 O LEU A 24 5.518 -8.449 4.266 1.00 0.00 O ATOM 368 CB LEU A 24 3.021 -6.803 3.072 1.00 0.00 C ATOM 369 CG LEU A 24 2.366 -6.009 1.927 1.00 0.00 C ATOM 370 CD1 LEU A 24 1.846 -4.695 2.456 1.00 0.00 C ATOM 371 CD2 LEU A 24 3.327 -5.748 0.779 1.00 0.00 C ATOM 0 H LEU A 24 1.834 -8.835 2.153 1.00 0.00 H new ATOM 0 HA LEU A 24 4.507 -7.903 2.007 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.249 -7.021 3.810 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.749 -6.151 3.555 1.00 0.00 H new ATOM 0 HG LEU A 24 1.547 -6.614 1.538 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.383 -4.134 1.645 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.107 -4.883 3.235 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.672 -4.117 2.871 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.816 -5.185 -0.002 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.180 -5.174 1.142 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.675 -6.698 0.373 1.00 0.00 H new ATOM 383 N THR A 25 3.589 -9.456 4.723 1.00 0.00 N ATOM 384 CA THR A 25 4.089 -10.042 5.942 1.00 0.00 C ATOM 385 C THR A 25 5.125 -11.149 5.629 1.00 0.00 C ATOM 386 O THR A 25 6.167 -11.242 6.279 1.00 0.00 O ATOM 387 CB THR A 25 2.927 -10.580 6.811 1.00 0.00 C ATOM 388 OG1 THR A 25 1.995 -9.502 7.084 1.00 0.00 O ATOM 389 CG2 THR A 25 3.439 -11.136 8.131 1.00 0.00 C ATOM 0 H THR A 25 2.622 -9.693 4.501 1.00 0.00 H new ATOM 0 HA THR A 25 4.595 -9.266 6.516 1.00 0.00 H new ATOM 0 HB THR A 25 2.434 -11.383 6.263 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.334 -9.450 6.362 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.600 -11.506 8.720 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.134 -11.953 7.937 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.950 -10.348 8.684 1.00 0.00 H new ATOM 397 N ALA A 26 4.866 -11.932 4.587 1.00 0.00 N ATOM 398 CA ALA A 26 5.778 -13.002 4.173 1.00 0.00 C ATOM 399 C ALA A 26 7.081 -12.431 3.598 1.00 0.00 C ATOM 400 O ALA A 26 8.118 -13.108 3.558 1.00 0.00 O ATOM 401 CB ALA A 26 5.104 -13.911 3.158 1.00 0.00 C ATOM 0 H ALA A 26 4.030 -11.848 4.009 1.00 0.00 H new ATOM 0 HA ALA A 26 6.030 -13.588 5.057 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.795 -14.700 2.861 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.214 -14.356 3.603 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.819 -13.329 2.281 1.00 0.00 H new ATOM 407 N ASN A 27 7.029 -11.188 3.171 1.00 0.00 N ATOM 408 CA ASN A 27 8.198 -10.514 2.621 1.00 0.00 C ATOM 409 C ASN A 27 8.767 -9.504 3.577 1.00 0.00 C ATOM 410 O ASN A 27 9.599 -8.694 3.179 1.00 0.00 O ATOM 411 CB ASN A 27 7.901 -9.849 1.270 1.00 0.00 C ATOM 412 CG ASN A 27 7.830 -10.835 0.126 1.00 0.00 C ATOM 413 OD1 ASN A 27 8.843 -11.135 -0.508 1.00 0.00 O ATOM 414 ND2 ASN A 27 6.657 -11.346 -0.153 1.00 0.00 N ATOM 0 H ASN A 27 6.185 -10.615 3.192 1.00 0.00 H new ATOM 0 HA ASN A 27 8.944 -11.292 2.460 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.956 -9.311 1.337 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.674 -9.110 1.058 1.00 0.00 H new ATOM 0 HD21 ASN A 27 6.561 -12.015 -0.917 1.00 0.00 H new ATOM 0 HD22 ASN A 27 5.839 -11.075 0.393 1.00 0.00 H new ATOM 421 N ARG A 28 8.338 -9.583 4.853 1.00 0.00 N ATOM 422 CA ARG A 28 8.782 -8.686 5.948 1.00 0.00 C ATOM 423 C ARG A 28 8.818 -7.205 5.536 1.00 0.00 C ATOM 424 O ARG A 28 9.876 -6.555 5.507 1.00 0.00 O ATOM 425 CB ARG A 28 10.102 -9.154 6.625 1.00 0.00 C ATOM 426 CG ARG A 28 11.254 -9.314 5.671 1.00 0.00 C ATOM 427 CD ARG A 28 12.546 -9.701 6.339 1.00 0.00 C ATOM 428 NE ARG A 28 13.602 -9.864 5.332 1.00 0.00 N ATOM 429 CZ ARG A 28 14.897 -9.560 5.497 1.00 0.00 C ATOM 430 NH1 ARG A 28 15.336 -9.073 6.666 1.00 0.00 N ATOM 431 NH2 ARG A 28 15.745 -9.721 4.483 1.00 0.00 N ATOM 0 H ARG A 28 7.662 -10.282 5.160 1.00 0.00 H new ATOM 0 HA ARG A 28 8.012 -8.764 6.716 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.379 -8.434 7.395 1.00 0.00 H new ATOM 0 HB3 ARG A 28 9.924 -10.105 7.127 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.998 -10.071 4.930 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.400 -8.378 5.132 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.835 -8.937 7.061 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.414 -10.630 6.894 1.00 0.00 H new ATOM 0 HE ARG A 28 13.325 -10.242 4.426 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.683 -8.932 7.437 1.00 0.00 H new ATOM 0 HH12 ARG A 28 16.323 -8.844 6.785 1.00 0.00 H new ATOM 0 HH21 ARG A 28 15.408 -10.074 3.587 1.00 0.00 H new ATOM 0 HH22 ARG A 28 16.732 -9.492 4.602 1.00 0.00 H new ATOM 445 N ILE A 29 7.679 -6.710 5.148 1.00 0.00 N ATOM 446 CA ILE A 29 7.541 -5.339 4.735 1.00 0.00 C ATOM 447 C ILE A 29 6.730 -4.605 5.773 1.00 0.00 C ATOM 448 O ILE A 29 5.722 -5.128 6.264 1.00 0.00 O ATOM 449 CB ILE A 29 6.830 -5.243 3.360 1.00 0.00 C ATOM 450 CG1 ILE A 29 7.592 -6.081 2.330 1.00 0.00 C ATOM 451 CG2 ILE A 29 6.740 -3.781 2.901 1.00 0.00 C ATOM 452 CD1 ILE A 29 6.897 -6.213 1.003 1.00 0.00 C ATOM 0 H ILE A 29 6.813 -7.247 5.108 1.00 0.00 H new ATOM 0 HA ILE A 29 8.531 -4.894 4.637 1.00 0.00 H new ATOM 0 HB ILE A 29 5.816 -5.631 3.456 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.573 -5.634 2.170 1.00 0.00 H new ATOM 0 HG13 ILE A 29 7.758 -7.077 2.741 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.238 -3.733 1.935 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.174 -3.204 3.633 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.744 -3.366 2.810 1.00 0.00 H new ATOM 0 HD11 ILE A 29 7.505 -6.821 0.333 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.927 -6.689 1.146 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.755 -5.224 0.567 1.00 0.00 H new ATOM 464 N ALA A 30 7.174 -3.439 6.133 1.00 0.00 N ATOM 465 CA ALA A 30 6.482 -2.633 7.098 1.00 0.00 C ATOM 466 C ALA A 30 5.401 -1.850 6.390 1.00 0.00 C ATOM 467 O ALA A 30 5.654 -1.252 5.354 1.00 0.00 O ATOM 468 CB ALA A 30 7.455 -1.695 7.768 1.00 0.00 C ATOM 0 H ALA A 30 8.027 -3.017 5.767 1.00 0.00 H new ATOM 0 HA ALA A 30 6.031 -3.267 7.861 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.926 -1.084 8.500 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.231 -2.273 8.270 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.912 -1.049 7.019 1.00 0.00 H new ATOM 474 N TYR A 31 4.213 -1.864 6.927 1.00 0.00 N ATOM 475 CA TYR A 31 3.102 -1.190 6.307 1.00 0.00 C ATOM 476 C TYR A 31 2.119 -0.737 7.358 1.00 0.00 C ATOM 477 O TYR A 31 2.082 -1.285 8.470 1.00 0.00 O ATOM 478 CB TYR A 31 2.388 -2.117 5.296 1.00 0.00 C ATOM 479 CG TYR A 31 1.787 -3.393 5.870 1.00 0.00 C ATOM 480 CD1 TYR A 31 2.556 -4.534 6.054 1.00 0.00 C ATOM 481 CD2 TYR A 31 0.439 -3.456 6.194 1.00 0.00 C ATOM 482 CE1 TYR A 31 1.996 -5.701 6.545 1.00 0.00 C ATOM 483 CE2 TYR A 31 -0.124 -4.609 6.688 1.00 0.00 C ATOM 484 CZ TYR A 31 0.654 -5.730 6.862 1.00 0.00 C ATOM 485 OH TYR A 31 0.085 -6.889 7.342 1.00 0.00 O ATOM 0 H TYR A 31 3.986 -2.339 7.801 1.00 0.00 H new ATOM 0 HA TYR A 31 3.488 -0.323 5.772 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.593 -1.550 4.812 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.101 -2.392 4.519 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.608 -4.511 5.810 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.180 -2.582 6.055 1.00 0.00 H new ATOM 0 HE1 TYR A 31 2.606 -6.582 6.679 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.174 -4.634 6.939 1.00 0.00 H new ATOM 0 HH TYR A 31 0.714 -7.632 7.232 1.00 0.00 H new ATOM 495 N ASP A 32 1.341 0.246 7.015 1.00 0.00 N ATOM 496 CA ASP A 32 0.293 0.751 7.879 1.00 0.00 C ATOM 497 C ASP A 32 -1.027 0.602 7.142 1.00 0.00 C ATOM 498 O ASP A 32 -1.064 0.747 5.930 1.00 0.00 O ATOM 499 CB ASP A 32 0.560 2.219 8.250 1.00 0.00 C ATOM 500 CG ASP A 32 -0.471 2.783 9.204 1.00 0.00 C ATOM 501 OD1 ASP A 32 -0.447 2.422 10.406 1.00 0.00 O ATOM 502 OD2 ASP A 32 -1.295 3.609 8.779 1.00 0.00 O ATOM 0 H ASP A 32 1.409 0.731 6.120 1.00 0.00 H new ATOM 0 HA ASP A 32 0.262 0.187 8.811 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.549 2.300 8.702 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.575 2.821 7.342 1.00 0.00 H new ATOM 507 N GLU A 33 -2.073 0.263 7.834 1.00 0.00 N ATOM 508 CA GLU A 33 -3.355 0.032 7.209 1.00 0.00 C ATOM 509 C GLU A 33 -4.436 0.862 7.886 1.00 0.00 C ATOM 510 O GLU A 33 -4.443 1.023 9.117 1.00 0.00 O ATOM 511 CB GLU A 33 -3.709 -1.466 7.272 1.00 0.00 C ATOM 512 CG GLU A 33 -3.679 -2.051 8.675 1.00 0.00 C ATOM 513 CD GLU A 33 -4.128 -3.481 8.724 1.00 0.00 C ATOM 514 OE1 GLU A 33 -3.317 -4.393 8.468 1.00 0.00 O ATOM 515 OE2 GLU A 33 -5.306 -3.734 9.027 1.00 0.00 O ATOM 0 H GLU A 33 -2.069 0.137 8.846 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.295 0.336 6.164 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.703 -1.612 6.850 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.012 -2.020 6.644 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.666 -1.981 9.070 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.317 -1.453 9.326 1.00 0.00 H new ATOM 522 N VAL A 34 -5.292 1.428 7.096 1.00 0.00 N ATOM 523 CA VAL A 34 -6.433 2.154 7.586 1.00 0.00 C ATOM 524 C VAL A 34 -7.605 1.781 6.686 1.00 0.00 C ATOM 525 O VAL A 34 -7.406 1.565 5.481 1.00 0.00 O ATOM 526 CB VAL A 34 -6.168 3.705 7.623 1.00 0.00 C ATOM 527 CG1 VAL A 34 -5.888 4.287 6.256 1.00 0.00 C ATOM 528 CG2 VAL A 34 -7.293 4.456 8.309 1.00 0.00 C ATOM 0 H VAL A 34 -5.222 1.402 6.079 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.652 1.885 8.619 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.263 3.836 8.216 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.713 5.359 6.346 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.005 3.810 5.831 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.744 4.112 5.604 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.069 5.523 8.312 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.226 4.283 7.773 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.393 4.103 9.335 1.00 0.00 H new ATOM 538 N ASP A 35 -8.781 1.617 7.228 1.00 0.00 N ATOM 539 CA ASP A 35 -9.886 1.200 6.388 1.00 0.00 C ATOM 540 C ASP A 35 -10.658 2.395 5.911 1.00 0.00 C ATOM 541 O ASP A 35 -10.822 3.392 6.624 1.00 0.00 O ATOM 542 CB ASP A 35 -10.818 0.185 7.059 1.00 0.00 C ATOM 543 CG ASP A 35 -11.683 0.777 8.133 1.00 0.00 C ATOM 544 OD1 ASP A 35 -11.248 0.822 9.300 1.00 0.00 O ATOM 545 OD2 ASP A 35 -12.825 1.184 7.829 1.00 0.00 O ATOM 0 H ASP A 35 -9.002 1.758 8.214 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.446 0.685 5.534 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -11.456 -0.267 6.299 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -10.218 -0.617 7.489 1.00 0.00 H new ATOM 550 N ILE A 36 -11.117 2.300 4.712 1.00 0.00 N ATOM 551 CA ILE A 36 -11.810 3.385 4.054 1.00 0.00 C ATOM 552 C ILE A 36 -13.285 3.458 4.424 1.00 0.00 C ATOM 553 O ILE A 36 -14.015 4.323 3.935 1.00 0.00 O ATOM 554 CB ILE A 36 -11.665 3.276 2.540 1.00 0.00 C ATOM 555 CG1 ILE A 36 -12.317 1.982 2.036 1.00 0.00 C ATOM 556 CG2 ILE A 36 -10.186 3.304 2.195 1.00 0.00 C ATOM 557 CD1 ILE A 36 -12.372 1.852 0.537 1.00 0.00 C ATOM 0 H ILE A 36 -11.027 1.460 4.141 1.00 0.00 H new ATOM 0 HA ILE A 36 -11.341 4.305 4.404 1.00 0.00 H new ATOM 0 HB ILE A 36 -12.168 4.112 2.055 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.768 1.132 2.442 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -13.332 1.924 2.430 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.063 3.227 1.115 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.749 4.239 2.544 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.684 2.466 2.678 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -12.848 0.908 0.271 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -12.948 2.679 0.121 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -11.360 1.875 0.132 1.00 0.00 H new ATOM 569 N GLU A 37 -13.736 2.559 5.257 1.00 0.00 N ATOM 570 CA GLU A 37 -15.121 2.572 5.620 1.00 0.00 C ATOM 571 C GLU A 37 -15.293 3.492 6.806 1.00 0.00 C ATOM 572 O GLU A 37 -16.269 4.236 6.905 1.00 0.00 O ATOM 573 CB GLU A 37 -15.639 1.163 5.883 1.00 0.00 C ATOM 574 CG GLU A 37 -15.366 0.237 4.711 1.00 0.00 C ATOM 575 CD GLU A 37 -16.087 -1.084 4.791 1.00 0.00 C ATOM 576 OE1 GLU A 37 -15.655 -1.974 5.560 1.00 0.00 O ATOM 577 OE2 GLU A 37 -17.094 -1.259 4.077 1.00 0.00 O ATOM 0 H GLU A 37 -13.176 1.824 5.688 1.00 0.00 H new ATOM 0 HA GLU A 37 -15.723 2.953 4.795 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -15.167 0.763 6.780 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -16.711 1.199 6.076 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -15.654 0.741 3.789 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -14.294 0.051 4.651 1.00 0.00 H new ATOM 584 N HIS A 38 -14.323 3.445 7.694 1.00 0.00 N ATOM 585 CA HIS A 38 -14.241 4.360 8.802 1.00 0.00 C ATOM 586 C HIS A 38 -13.731 5.724 8.304 1.00 0.00 C ATOM 587 O HIS A 38 -14.171 6.778 8.770 1.00 0.00 O ATOM 588 CB HIS A 38 -13.309 3.773 9.895 1.00 0.00 C ATOM 589 CG HIS A 38 -13.039 4.664 11.086 1.00 0.00 C ATOM 590 ND1 HIS A 38 -13.798 4.681 12.233 1.00 0.00 N ATOM 591 CD2 HIS A 38 -12.039 5.558 11.292 1.00 0.00 C ATOM 592 CE1 HIS A 38 -13.253 5.560 13.080 1.00 0.00 C ATOM 593 NE2 HIS A 38 -12.177 6.124 12.556 1.00 0.00 N ATOM 0 H HIS A 38 -13.565 2.763 7.663 1.00 0.00 H new ATOM 0 HA HIS A 38 -15.228 4.504 9.241 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -13.746 2.842 10.255 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -12.355 3.519 9.433 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -11.257 5.794 10.585 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -13.640 5.781 14.064 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -11.575 6.826 12.987 1.00 0.00 H new ATOM 601 N ASN A 39 -12.831 5.695 7.344 1.00 0.00 N ATOM 602 CA ASN A 39 -12.220 6.918 6.820 1.00 0.00 C ATOM 603 C ASN A 39 -12.791 7.263 5.438 1.00 0.00 C ATOM 604 O ASN A 39 -12.377 6.696 4.419 1.00 0.00 O ATOM 605 CB ASN A 39 -10.697 6.729 6.736 1.00 0.00 C ATOM 606 CG ASN A 39 -9.900 7.991 6.443 1.00 0.00 C ATOM 607 OD1 ASN A 39 -10.377 8.930 5.801 1.00 0.00 O ATOM 608 ND2 ASN A 39 -8.666 8.001 6.899 1.00 0.00 N ATOM 0 H ASN A 39 -12.499 4.837 6.903 1.00 0.00 H new ATOM 0 HA ASN A 39 -12.447 7.745 7.493 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.347 6.309 7.679 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.481 5.994 5.960 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.065 8.807 6.726 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.311 7.203 7.426 1.00 0.00 H new ATOM 615 N ARG A 40 -13.730 8.199 5.405 1.00 0.00 N ATOM 616 CA ARG A 40 -14.396 8.597 4.163 1.00 0.00 C ATOM 617 C ARG A 40 -13.445 9.335 3.218 1.00 0.00 C ATOM 618 O ARG A 40 -13.548 9.209 1.996 1.00 0.00 O ATOM 619 CB ARG A 40 -15.639 9.452 4.452 1.00 0.00 C ATOM 620 CG ARG A 40 -16.343 9.960 3.205 1.00 0.00 C ATOM 621 CD ARG A 40 -17.563 10.784 3.538 1.00 0.00 C ATOM 622 NE ARG A 40 -18.155 11.354 2.328 1.00 0.00 N ATOM 623 CZ ARG A 40 -19.341 11.960 2.246 1.00 0.00 C ATOM 624 NH1 ARG A 40 -20.106 12.109 3.323 1.00 0.00 N ATOM 625 NH2 ARG A 40 -19.750 12.436 1.087 1.00 0.00 N ATOM 0 H ARG A 40 -14.053 8.704 6.231 1.00 0.00 H new ATOM 0 HA ARG A 40 -14.714 7.682 3.663 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -16.343 8.864 5.040 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -15.346 10.305 5.065 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -15.649 10.561 2.617 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -16.636 9.113 2.584 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -18.298 10.162 4.049 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -17.289 11.584 4.225 1.00 0.00 H new ATOM 0 HE ARG A 40 -17.611 11.282 1.468 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -19.789 11.758 4.227 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -21.010 12.574 3.246 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -19.161 12.340 0.260 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -20.656 12.900 1.017 1.00 0.00 H new ATOM 639 N ALA A 41 -12.512 10.080 3.783 1.00 0.00 N ATOM 640 CA ALA A 41 -11.529 10.819 2.993 1.00 0.00 C ATOM 641 C ALA A 41 -10.680 9.840 2.218 1.00 0.00 C ATOM 642 O ALA A 41 -10.389 10.036 1.038 1.00 0.00 O ATOM 643 CB ALA A 41 -10.652 11.676 3.893 1.00 0.00 C ATOM 0 H ALA A 41 -12.410 10.193 4.792 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.051 11.480 2.301 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.927 12.218 3.286 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.274 12.387 4.437 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.126 11.038 4.603 1.00 0.00 H new ATOM 649 N ALA A 42 -10.331 8.759 2.883 1.00 0.00 N ATOM 650 CA ALA A 42 -9.570 7.706 2.279 1.00 0.00 C ATOM 651 C ALA A 42 -10.375 7.025 1.191 1.00 0.00 C ATOM 652 O ALA A 42 -9.851 6.749 0.130 1.00 0.00 O ATOM 653 CB ALA A 42 -9.128 6.708 3.309 1.00 0.00 C ATOM 0 H ALA A 42 -10.572 8.593 3.860 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.681 8.146 1.828 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.552 5.918 2.827 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.508 7.205 4.055 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.002 6.275 3.794 1.00 0.00 H new ATOM 659 N ALA A 43 -11.664 6.789 1.454 1.00 0.00 N ATOM 660 CA ALA A 43 -12.578 6.172 0.476 1.00 0.00 C ATOM 661 C ALA A 43 -12.662 7.010 -0.799 1.00 0.00 C ATOM 662 O ALA A 43 -12.764 6.474 -1.923 1.00 0.00 O ATOM 663 CB ALA A 43 -13.964 6.005 1.072 1.00 0.00 C ATOM 0 H ALA A 43 -12.106 7.017 2.345 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.179 5.190 0.222 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -14.624 5.548 0.335 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -13.907 5.366 1.953 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.358 6.981 1.356 1.00 0.00 H new ATOM 669 N GLU A 44 -12.622 8.309 -0.620 1.00 0.00 N ATOM 670 CA GLU A 44 -12.637 9.250 -1.715 1.00 0.00 C ATOM 671 C GLU A 44 -11.294 9.182 -2.455 1.00 0.00 C ATOM 672 O GLU A 44 -11.244 9.136 -3.691 1.00 0.00 O ATOM 673 CB GLU A 44 -12.862 10.659 -1.160 1.00 0.00 C ATOM 674 CG GLU A 44 -13.080 11.729 -2.207 1.00 0.00 C ATOM 675 CD GLU A 44 -14.338 11.496 -3.003 1.00 0.00 C ATOM 676 OE1 GLU A 44 -15.445 11.727 -2.468 1.00 0.00 O ATOM 677 OE2 GLU A 44 -14.260 11.057 -4.165 1.00 0.00 O ATOM 0 H GLU A 44 -12.578 8.747 0.300 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.440 9.006 -2.410 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -13.727 10.639 -0.497 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.001 10.936 -0.552 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -13.134 12.704 -1.723 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -12.224 11.755 -2.882 1.00 0.00 H new ATOM 684 N PHE A 45 -10.224 9.149 -1.685 1.00 0.00 N ATOM 685 CA PHE A 45 -8.870 9.094 -2.208 1.00 0.00 C ATOM 686 C PHE A 45 -8.615 7.805 -3.006 1.00 0.00 C ATOM 687 O PHE A 45 -8.272 7.859 -4.181 1.00 0.00 O ATOM 688 CB PHE A 45 -7.857 9.240 -1.066 1.00 0.00 C ATOM 689 CG PHE A 45 -6.433 9.187 -1.513 1.00 0.00 C ATOM 690 CD1 PHE A 45 -5.827 10.305 -2.054 1.00 0.00 C ATOM 691 CD2 PHE A 45 -5.701 8.020 -1.399 1.00 0.00 C ATOM 692 CE1 PHE A 45 -4.518 10.260 -2.472 1.00 0.00 C ATOM 693 CE2 PHE A 45 -4.399 7.973 -1.814 1.00 0.00 C ATOM 694 CZ PHE A 45 -3.804 9.092 -2.352 1.00 0.00 C ATOM 0 H PHE A 45 -10.269 9.160 -0.666 1.00 0.00 H new ATOM 0 HA PHE A 45 -8.745 9.927 -2.900 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -8.033 10.187 -0.556 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -8.029 8.448 -0.337 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -6.387 11.223 -2.149 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.161 7.138 -0.979 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -4.053 11.139 -2.893 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.836 7.056 -1.720 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.776 9.052 -2.680 1.00 0.00 H new ATOM 704 N VAL A 46 -8.825 6.657 -2.377 1.00 0.00 N ATOM 705 CA VAL A 46 -8.582 5.363 -3.018 1.00 0.00 C ATOM 706 C VAL A 46 -9.538 5.138 -4.196 1.00 0.00 C ATOM 707 O VAL A 46 -9.188 4.495 -5.170 1.00 0.00 O ATOM 708 CB VAL A 46 -8.598 4.183 -1.993 1.00 0.00 C ATOM 709 CG1 VAL A 46 -9.886 4.065 -1.289 1.00 0.00 C ATOM 710 CG2 VAL A 46 -8.306 2.893 -2.644 1.00 0.00 C ATOM 0 H VAL A 46 -9.165 6.591 -1.418 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.573 5.386 -3.429 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.818 4.417 -1.268 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -9.843 3.230 -0.589 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -10.088 4.986 -0.743 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -10.682 3.891 -2.013 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.326 2.097 -1.900 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.056 2.693 -3.409 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.319 2.933 -3.105 1.00 0.00 H new ATOM 720 N GLY A 47 -10.707 5.761 -4.139 1.00 0.00 N ATOM 721 CA GLY A 47 -11.644 5.670 -5.241 1.00 0.00 C ATOM 722 C GLY A 47 -11.149 6.441 -6.463 1.00 0.00 C ATOM 723 O GLY A 47 -11.563 6.183 -7.589 1.00 0.00 O ATOM 0 H GLY A 47 -11.023 6.327 -3.351 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.794 4.624 -5.506 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.612 6.062 -4.930 1.00 0.00 H new ATOM 727 N SER A 48 -10.249 7.373 -6.232 1.00 0.00 N ATOM 728 CA SER A 48 -9.686 8.187 -7.281 1.00 0.00 C ATOM 729 C SER A 48 -8.511 7.462 -7.966 1.00 0.00 C ATOM 730 O SER A 48 -8.197 7.733 -9.127 1.00 0.00 O ATOM 731 CB SER A 48 -9.224 9.544 -6.697 1.00 0.00 C ATOM 732 OG SER A 48 -8.755 10.433 -7.702 1.00 0.00 O ATOM 0 H SER A 48 -9.887 7.586 -5.303 1.00 0.00 H new ATOM 0 HA SER A 48 -10.452 8.368 -8.035 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.053 10.008 -6.163 1.00 0.00 H new ATOM 0 HB3 SER A 48 -8.432 9.372 -5.968 1.00 0.00 H new ATOM 0 HG SER A 48 -8.476 11.276 -7.288 1.00 0.00 H new ATOM 738 N VAL A 49 -7.884 6.537 -7.252 1.00 0.00 N ATOM 739 CA VAL A 49 -6.677 5.843 -7.741 1.00 0.00 C ATOM 740 C VAL A 49 -6.907 4.347 -7.954 1.00 0.00 C ATOM 741 O VAL A 49 -5.951 3.564 -8.134 1.00 0.00 O ATOM 742 CB VAL A 49 -5.506 6.030 -6.743 1.00 0.00 C ATOM 743 CG1 VAL A 49 -5.101 7.474 -6.687 1.00 0.00 C ATOM 744 CG2 VAL A 49 -5.911 5.585 -5.355 1.00 0.00 C ATOM 0 H VAL A 49 -8.186 6.241 -6.324 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.432 6.290 -8.704 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.670 5.422 -7.088 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.278 7.594 -5.983 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.783 7.801 -7.677 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.948 8.077 -6.361 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.075 5.724 -4.670 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.761 6.178 -5.016 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.190 4.531 -5.378 1.00 0.00 H new ATOM 754 N ASN A 50 -8.143 3.943 -7.943 1.00 0.00 N ATOM 755 CA ASN A 50 -8.460 2.533 -8.049 1.00 0.00 C ATOM 756 C ASN A 50 -8.704 2.132 -9.483 1.00 0.00 C ATOM 757 O ASN A 50 -8.864 2.986 -10.363 1.00 0.00 O ATOM 758 CB ASN A 50 -9.694 2.169 -7.214 1.00 0.00 C ATOM 759 CG ASN A 50 -9.428 1.094 -6.178 1.00 0.00 C ATOM 760 OD1 ASN A 50 -10.283 0.261 -5.878 1.00 0.00 O ATOM 761 ND2 ASN A 50 -8.290 1.121 -5.585 1.00 0.00 N ATOM 0 H ASN A 50 -8.951 4.560 -7.862 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.597 1.990 -7.665 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.060 3.064 -6.711 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -10.487 1.831 -7.881 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.081 0.444 -4.851 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.594 1.819 -5.848 1.00 0.00 H new ATOM 768 N GLY A 51 -8.747 0.833 -9.712 1.00 0.00 N ATOM 769 CA GLY A 51 -9.044 0.317 -11.019 1.00 0.00 C ATOM 770 C GLY A 51 -10.528 0.360 -11.258 1.00 0.00 C ATOM 771 O GLY A 51 -11.231 -0.633 -11.070 1.00 0.00 O ATOM 0 H GLY A 51 -8.578 0.120 -9.002 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.527 0.904 -11.778 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.682 -0.707 -11.107 1.00 0.00 H new ATOM 775 N GLY A 52 -11.009 1.520 -11.611 1.00 0.00 N ATOM 776 CA GLY A 52 -12.406 1.709 -11.831 1.00 0.00 C ATOM 777 C GLY A 52 -13.015 2.484 -10.700 1.00 0.00 C ATOM 778 O GLY A 52 -13.133 3.708 -10.773 1.00 0.00 O ATOM 0 H GLY A 52 -10.441 2.355 -11.753 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.564 2.240 -12.770 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -12.900 0.742 -11.924 1.00 0.00 H new ATOM 782 N ASN A 53 -13.341 1.797 -9.645 1.00 0.00 N ATOM 783 CA ASN A 53 -13.961 2.394 -8.476 1.00 0.00 C ATOM 784 C ASN A 53 -13.395 1.637 -7.279 1.00 0.00 C ATOM 785 O ASN A 53 -12.699 0.647 -7.497 1.00 0.00 O ATOM 786 CB ASN A 53 -15.489 2.234 -8.578 1.00 0.00 C ATOM 787 CG ASN A 53 -16.279 3.162 -7.673 1.00 0.00 C ATOM 788 OD1 ASN A 53 -15.838 3.560 -6.607 1.00 0.00 O ATOM 789 ND2 ASN A 53 -17.447 3.527 -8.104 1.00 0.00 N ATOM 0 H ASN A 53 -13.186 0.792 -9.561 1.00 0.00 H new ATOM 0 HA ASN A 53 -13.756 3.461 -8.385 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -15.792 2.408 -9.610 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.751 1.203 -8.339 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -18.020 4.161 -7.548 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -17.792 3.180 -8.999 1.00 0.00 H new ATOM 796 N ARG A 54 -13.674 2.065 -6.039 1.00 0.00 N ATOM 797 CA ARG A 54 -13.073 1.414 -4.868 1.00 0.00 C ATOM 798 C ARG A 54 -13.511 -0.041 -4.741 1.00 0.00 C ATOM 799 O ARG A 54 -14.709 -0.350 -4.688 1.00 0.00 O ATOM 800 CB ARG A 54 -13.270 2.170 -3.508 1.00 0.00 C ATOM 801 CG ARG A 54 -14.696 2.208 -2.918 1.00 0.00 C ATOM 802 CD ARG A 54 -15.587 3.237 -3.584 1.00 0.00 C ATOM 803 NE ARG A 54 -15.080 4.604 -3.370 1.00 0.00 N ATOM 804 CZ ARG A 54 -15.659 5.727 -3.822 1.00 0.00 C ATOM 805 NH1 ARG A 54 -16.751 5.670 -4.583 1.00 0.00 N ATOM 806 NH2 ARG A 54 -15.137 6.899 -3.499 1.00 0.00 N ATOM 0 H ARG A 54 -14.298 2.842 -5.824 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.002 1.452 -5.067 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -12.612 1.712 -2.770 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.933 3.198 -3.642 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -15.151 1.223 -3.019 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.636 2.424 -1.851 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -15.646 3.032 -4.653 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -16.599 3.156 -3.187 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.218 4.705 -2.834 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -17.155 4.766 -4.828 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -17.183 6.530 -4.921 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -14.304 6.942 -2.913 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -15.568 7.760 -3.836 1.00 0.00 H new ATOM 820 N THR A 55 -12.544 -0.911 -4.751 1.00 0.00 N ATOM 821 CA THR A 55 -12.767 -2.323 -4.614 1.00 0.00 C ATOM 822 C THR A 55 -11.440 -3.052 -4.333 1.00 0.00 C ATOM 823 O THR A 55 -11.424 -4.130 -3.722 1.00 0.00 O ATOM 824 CB THR A 55 -13.470 -2.919 -5.884 1.00 0.00 C ATOM 825 OG1 THR A 55 -13.769 -4.321 -5.696 1.00 0.00 O ATOM 826 CG2 THR A 55 -12.616 -2.734 -7.142 1.00 0.00 C ATOM 0 H THR A 55 -11.562 -0.657 -4.856 1.00 0.00 H new ATOM 0 HA THR A 55 -13.435 -2.476 -3.766 1.00 0.00 H new ATOM 0 HB THR A 55 -14.402 -2.371 -6.022 1.00 0.00 H new ATOM 0 HG1 THR A 55 -14.208 -4.672 -6.499 1.00 0.00 H new ATOM 0 HG21 THR A 55 -13.136 -3.159 -8.000 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.444 -1.671 -7.312 1.00 0.00 H new ATOM 0 HG23 THR A 55 -11.660 -3.240 -7.010 1.00 0.00 H new ATOM 834 N VAL A 56 -10.329 -2.466 -4.762 1.00 0.00 N ATOM 835 CA VAL A 56 -9.036 -3.080 -4.564 1.00 0.00 C ATOM 836 C VAL A 56 -8.143 -2.243 -3.657 1.00 0.00 C ATOM 837 O VAL A 56 -8.238 -1.005 -3.648 1.00 0.00 O ATOM 838 CB VAL A 56 -8.290 -3.392 -5.896 1.00 0.00 C ATOM 839 CG1 VAL A 56 -8.987 -4.495 -6.668 1.00 0.00 C ATOM 840 CG2 VAL A 56 -8.142 -2.156 -6.771 1.00 0.00 C ATOM 0 H VAL A 56 -10.304 -1.569 -5.247 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.245 -4.032 -4.076 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.290 -3.731 -5.623 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -8.444 -4.691 -7.593 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -9.013 -5.402 -6.063 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -10.005 -4.186 -6.904 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -7.616 -2.421 -7.688 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.129 -1.765 -7.018 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -7.575 -1.396 -6.234 1.00 0.00 H new ATOM 850 N PRO A 57 -7.261 -2.907 -2.883 1.00 0.00 N ATOM 851 CA PRO A 57 -6.326 -2.232 -1.989 1.00 0.00 C ATOM 852 C PRO A 57 -5.361 -1.339 -2.758 1.00 0.00 C ATOM 853 O PRO A 57 -4.898 -1.684 -3.846 1.00 0.00 O ATOM 854 CB PRO A 57 -5.564 -3.384 -1.310 1.00 0.00 C ATOM 855 CG PRO A 57 -5.755 -4.552 -2.211 1.00 0.00 C ATOM 856 CD PRO A 57 -7.101 -4.374 -2.829 1.00 0.00 C ATOM 0 HA PRO A 57 -6.836 -1.578 -1.281 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -4.507 -3.144 -1.193 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.958 -3.585 -0.314 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.977 -4.589 -2.973 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.701 -5.488 -1.655 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.149 -4.820 -3.822 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.883 -4.842 -2.231 1.00 0.00 H new ATOM 864 N THR A 58 -5.115 -0.184 -2.240 1.00 0.00 N ATOM 865 CA THR A 58 -4.189 0.719 -2.848 1.00 0.00 C ATOM 866 C THR A 58 -3.198 1.187 -1.791 1.00 0.00 C ATOM 867 O THR A 58 -3.569 1.331 -0.621 1.00 0.00 O ATOM 868 CB THR A 58 -4.941 1.915 -3.440 1.00 0.00 C ATOM 869 OG1 THR A 58 -5.929 1.391 -4.305 1.00 0.00 O ATOM 870 CG2 THR A 58 -4.025 2.804 -4.263 1.00 0.00 C ATOM 0 H THR A 58 -5.548 0.164 -1.384 1.00 0.00 H new ATOM 0 HA THR A 58 -3.653 0.218 -3.654 1.00 0.00 H new ATOM 0 HB THR A 58 -5.358 2.513 -2.630 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.690 1.592 -5.234 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.596 3.641 -4.666 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.222 3.183 -3.631 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.599 2.227 -5.084 1.00 0.00 H new ATOM 878 N VAL A 59 -1.962 1.382 -2.173 1.00 0.00 N ATOM 879 CA VAL A 59 -0.957 1.811 -1.236 1.00 0.00 C ATOM 880 C VAL A 59 -0.534 3.239 -1.505 1.00 0.00 C ATOM 881 O VAL A 59 -0.253 3.613 -2.652 1.00 0.00 O ATOM 882 CB VAL A 59 0.293 0.892 -1.244 1.00 0.00 C ATOM 883 CG1 VAL A 59 -0.059 -0.494 -0.777 1.00 0.00 C ATOM 884 CG2 VAL A 59 0.909 0.818 -2.622 1.00 0.00 C ATOM 0 H VAL A 59 -1.628 1.250 -3.128 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.415 1.748 -0.249 1.00 0.00 H new ATOM 0 HB VAL A 59 1.020 1.327 -0.558 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.833 -1.120 -0.791 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.453 -0.447 0.238 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.812 -0.921 -1.439 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.783 0.167 -2.595 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.179 0.418 -3.326 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.210 1.816 -2.940 1.00 0.00 H new ATOM 894 N LYS A 60 -0.543 4.034 -0.478 1.00 0.00 N ATOM 895 CA LYS A 60 -0.037 5.375 -0.558 1.00 0.00 C ATOM 896 C LYS A 60 1.291 5.359 0.131 1.00 0.00 C ATOM 897 O LYS A 60 1.367 5.029 1.324 1.00 0.00 O ATOM 898 CB LYS A 60 -0.963 6.374 0.146 1.00 0.00 C ATOM 899 CG LYS A 60 -0.559 7.838 -0.066 1.00 0.00 C ATOM 900 CD LYS A 60 -1.465 8.811 0.691 1.00 0.00 C ATOM 901 CE LYS A 60 -1.290 8.693 2.199 1.00 0.00 C ATOM 902 NZ LYS A 60 -2.184 9.611 2.939 1.00 0.00 N ATOM 0 H LYS A 60 -0.901 3.773 0.441 1.00 0.00 H new ATOM 0 HA LYS A 60 0.036 5.688 -1.599 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.981 6.230 -0.216 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.971 6.159 1.215 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.472 7.978 0.260 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.591 8.070 -1.131 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.243 9.831 0.379 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.505 8.617 0.430 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.490 7.667 2.507 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.254 8.908 2.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.780 9.807 3.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.281 10.502 2.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.119 9.170 3.050 1.00 0.00 H new ATOM 916 N PHE A 61 2.320 5.667 -0.578 1.00 0.00 N ATOM 917 CA PHE A 61 3.642 5.624 -0.016 1.00 0.00 C ATOM 918 C PHE A 61 3.939 6.891 0.722 1.00 0.00 C ATOM 919 O PHE A 61 3.178 7.861 0.639 1.00 0.00 O ATOM 920 CB PHE A 61 4.689 5.371 -1.085 1.00 0.00 C ATOM 921 CG PHE A 61 4.528 4.074 -1.804 1.00 0.00 C ATOM 922 CD1 PHE A 61 3.719 3.995 -2.911 1.00 0.00 C ATOM 923 CD2 PHE A 61 5.189 2.932 -1.373 1.00 0.00 C ATOM 924 CE1 PHE A 61 3.565 2.821 -3.581 1.00 0.00 C ATOM 925 CE2 PHE A 61 5.038 1.740 -2.044 1.00 0.00 C ATOM 926 CZ PHE A 61 4.226 1.685 -3.153 1.00 0.00 C ATOM 0 H PHE A 61 2.280 5.955 -1.556 1.00 0.00 H new ATOM 0 HA PHE A 61 3.679 4.793 0.689 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.654 6.183 -1.811 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.676 5.398 -0.624 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.198 4.877 -3.254 1.00 0.00 H new ATOM 0 HD2 PHE A 61 5.828 2.979 -0.503 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.925 2.777 -4.450 1.00 0.00 H new ATOM 0 HE2 PHE A 61 5.553 0.854 -1.702 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.105 0.755 -3.689 1.00 0.00 H new ATOM 936 N ALA A 62 5.046 6.892 1.427 1.00 0.00 N ATOM 937 CA ALA A 62 5.489 8.026 2.219 1.00 0.00 C ATOM 938 C ALA A 62 5.783 9.273 1.377 1.00 0.00 C ATOM 939 O ALA A 62 5.998 10.360 1.924 1.00 0.00 O ATOM 940 CB ALA A 62 6.708 7.643 3.006 1.00 0.00 C ATOM 0 H ALA A 62 5.678 6.093 1.470 1.00 0.00 H new ATOM 0 HA ALA A 62 4.669 8.287 2.888 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.040 8.494 3.600 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.467 6.811 3.667 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.503 7.345 2.323 1.00 0.00 H new ATOM 946 N ASP A 63 5.819 9.114 0.071 1.00 0.00 N ATOM 947 CA ASP A 63 6.040 10.235 -0.827 1.00 0.00 C ATOM 948 C ASP A 63 4.702 10.892 -1.179 1.00 0.00 C ATOM 949 O ASP A 63 4.658 11.955 -1.795 1.00 0.00 O ATOM 950 CB ASP A 63 6.748 9.784 -2.111 1.00 0.00 C ATOM 951 CG ASP A 63 5.869 8.939 -2.997 1.00 0.00 C ATOM 952 OD1 ASP A 63 5.828 7.710 -2.825 1.00 0.00 O ATOM 953 OD2 ASP A 63 5.195 9.492 -3.884 1.00 0.00 O ATOM 0 H ASP A 63 5.698 8.216 -0.397 1.00 0.00 H new ATOM 0 HA ASP A 63 6.679 10.956 -0.318 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.078 10.662 -2.666 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.642 9.218 -1.848 1.00 0.00 H new ATOM 958 N GLY A 64 3.613 10.237 -0.814 1.00 0.00 N ATOM 959 CA GLY A 64 2.298 10.790 -1.051 1.00 0.00 C ATOM 960 C GLY A 64 1.589 10.196 -2.257 1.00 0.00 C ATOM 961 O GLY A 64 0.374 10.360 -2.408 1.00 0.00 O ATOM 0 H GLY A 64 3.617 9.326 -0.355 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.683 10.631 -0.165 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.387 11.868 -1.188 1.00 0.00 H new ATOM 965 N SER A 65 2.314 9.510 -3.108 1.00 0.00 N ATOM 966 CA SER A 65 1.716 8.949 -4.299 1.00 0.00 C ATOM 967 C SER A 65 1.288 7.498 -4.074 1.00 0.00 C ATOM 968 O SER A 65 1.693 6.857 -3.088 1.00 0.00 O ATOM 969 CB SER A 65 2.683 9.052 -5.450 1.00 0.00 C ATOM 970 OG SER A 65 3.214 10.364 -5.519 1.00 0.00 O ATOM 0 H SER A 65 3.312 9.327 -3.001 1.00 0.00 H new ATOM 0 HA SER A 65 0.818 9.519 -4.539 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.490 8.330 -5.324 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.178 8.805 -6.384 1.00 0.00 H new ATOM 0 HG SER A 65 4.030 10.416 -4.978 1.00 0.00 H new ATOM 976 N THR A 66 0.500 6.986 -4.983 1.00 0.00 N ATOM 977 CA THR A 66 -0.058 5.673 -4.868 1.00 0.00 C ATOM 978 C THR A 66 0.342 4.753 -6.002 1.00 0.00 C ATOM 979 O THR A 66 0.750 5.202 -7.086 1.00 0.00 O ATOM 980 CB THR A 66 -1.584 5.769 -4.877 1.00 0.00 C ATOM 981 OG1 THR A 66 -1.997 6.697 -5.895 1.00 0.00 O ATOM 982 CG2 THR A 66 -2.119 6.194 -3.541 1.00 0.00 C ATOM 0 H THR A 66 0.227 7.479 -5.833 1.00 0.00 H new ATOM 0 HA THR A 66 0.326 5.257 -3.936 1.00 0.00 H new ATOM 0 HB THR A 66 -1.989 4.780 -5.092 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.566 6.236 -6.546 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.207 6.251 -3.586 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.825 5.468 -2.783 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.715 7.172 -3.282 1.00 0.00 H new ATOM 990 N LEU A 67 0.252 3.485 -5.726 1.00 0.00 N ATOM 991 CA LEU A 67 0.339 2.450 -6.718 1.00 0.00 C ATOM 992 C LEU A 67 -0.872 1.566 -6.529 1.00 0.00 C ATOM 993 O LEU A 67 -1.135 1.093 -5.405 1.00 0.00 O ATOM 994 CB LEU A 67 1.649 1.611 -6.639 1.00 0.00 C ATOM 995 CG LEU A 67 2.974 2.302 -7.045 1.00 0.00 C ATOM 996 CD1 LEU A 67 4.149 1.326 -6.956 1.00 0.00 C ATOM 997 CD2 LEU A 67 2.885 2.854 -8.459 1.00 0.00 C ATOM 0 H LEU A 67 0.112 3.131 -4.780 1.00 0.00 H new ATOM 0 HA LEU A 67 0.363 2.910 -7.706 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.757 1.255 -5.615 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.522 0.732 -7.271 1.00 0.00 H new ATOM 0 HG LEU A 67 3.141 3.125 -6.350 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.068 1.835 -7.246 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.243 0.962 -5.933 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.974 0.484 -7.626 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.827 3.335 -8.722 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.686 2.040 -9.156 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.077 3.584 -8.514 1.00 0.00 H new ATOM 1009 N THR A 68 -1.659 1.433 -7.576 1.00 0.00 N ATOM 1010 CA THR A 68 -2.824 0.593 -7.573 1.00 0.00 C ATOM 1011 C THR A 68 -2.376 -0.859 -7.326 1.00 0.00 C ATOM 1012 O THR A 68 -1.349 -1.275 -7.883 1.00 0.00 O ATOM 1013 CB THR A 68 -3.549 0.720 -8.936 1.00 0.00 C ATOM 1014 OG1 THR A 68 -3.679 2.128 -9.264 1.00 0.00 O ATOM 1015 CG2 THR A 68 -4.938 0.094 -8.871 1.00 0.00 C ATOM 0 H THR A 68 -1.500 1.914 -8.461 1.00 0.00 H new ATOM 0 HA THR A 68 -3.515 0.894 -6.786 1.00 0.00 H new ATOM 0 HB THR A 68 -2.968 0.199 -9.697 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.477 2.493 -8.828 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.428 0.195 -9.839 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.849 -0.962 -8.618 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.530 0.601 -8.110 1.00 0.00 H new ATOM 1023 N ASN A 69 -3.191 -1.592 -6.527 1.00 0.00 N ATOM 1024 CA ASN A 69 -2.932 -2.962 -5.966 1.00 0.00 C ATOM 1025 C ASN A 69 -1.644 -3.640 -6.450 1.00 0.00 C ATOM 1026 O ASN A 69 -1.614 -4.310 -7.495 1.00 0.00 O ATOM 1027 CB ASN A 69 -4.157 -3.862 -6.176 1.00 0.00 C ATOM 1028 CG ASN A 69 -4.027 -5.249 -5.549 1.00 0.00 C ATOM 1029 OD1 ASN A 69 -3.314 -5.441 -4.570 1.00 0.00 O ATOM 1030 ND2 ASN A 69 -4.764 -6.204 -6.060 1.00 0.00 N ATOM 0 H ASN A 69 -4.100 -1.232 -6.235 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.763 -2.811 -4.900 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.034 -3.367 -5.759 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.333 -3.974 -7.246 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -4.754 -7.135 -5.643 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.348 -6.017 -6.875 1.00 0.00 H new ATOM 1037 N PRO A 70 -0.552 -3.397 -5.713 1.00 0.00 N ATOM 1038 CA PRO A 70 0.755 -3.933 -5.998 1.00 0.00 C ATOM 1039 C PRO A 70 1.069 -5.192 -5.209 1.00 0.00 C ATOM 1040 O PRO A 70 0.501 -5.447 -4.146 1.00 0.00 O ATOM 1041 CB PRO A 70 1.683 -2.806 -5.546 1.00 0.00 C ATOM 1042 CG PRO A 70 0.892 -1.977 -4.582 1.00 0.00 C ATOM 1043 CD PRO A 70 -0.502 -2.531 -4.536 1.00 0.00 C ATOM 0 HA PRO A 70 0.851 -4.223 -7.044 1.00 0.00 H new ATOM 0 HB2 PRO A 70 2.579 -3.206 -5.072 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.012 -2.208 -6.396 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.347 -2.005 -3.592 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.878 -0.934 -4.897 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.684 -3.088 -3.617 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.252 -1.741 -4.584 1.00 0.00 H new ATOM 1051 N SER A 71 1.939 -5.991 -5.738 1.00 0.00 N ATOM 1052 CA SER A 71 2.406 -7.135 -5.037 1.00 0.00 C ATOM 1053 C SER A 71 3.563 -6.687 -4.131 1.00 0.00 C ATOM 1054 O SER A 71 4.002 -5.524 -4.203 1.00 0.00 O ATOM 1055 CB SER A 71 2.845 -8.224 -6.027 1.00 0.00 C ATOM 1056 OG SER A 71 3.160 -9.440 -5.359 1.00 0.00 O ATOM 0 H SER A 71 2.343 -5.866 -6.666 1.00 0.00 H new ATOM 0 HA SER A 71 1.614 -7.567 -4.426 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.050 -8.401 -6.751 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.715 -7.879 -6.587 1.00 0.00 H new ATOM 0 HG SER A 71 3.434 -10.113 -6.017 1.00 0.00 H new ATOM 1062 N ALA A 72 4.071 -7.591 -3.325 1.00 0.00 N ATOM 1063 CA ALA A 72 5.117 -7.283 -2.365 1.00 0.00 C ATOM 1064 C ALA A 72 6.408 -6.839 -3.059 1.00 0.00 C ATOM 1065 O ALA A 72 7.137 -5.993 -2.551 1.00 0.00 O ATOM 1066 CB ALA A 72 5.355 -8.474 -1.462 1.00 0.00 C ATOM 0 H ALA A 72 3.772 -8.566 -3.313 1.00 0.00 H new ATOM 0 HA ALA A 72 4.785 -6.444 -1.753 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.141 -8.236 -0.745 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.436 -8.714 -0.927 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.660 -9.331 -2.063 1.00 0.00 H new ATOM 1072 N ASP A 73 6.657 -7.380 -4.230 1.00 0.00 N ATOM 1073 CA ASP A 73 7.841 -7.019 -5.006 1.00 0.00 C ATOM 1074 C ASP A 73 7.706 -5.591 -5.537 1.00 0.00 C ATOM 1075 O ASP A 73 8.660 -4.821 -5.536 1.00 0.00 O ATOM 1076 CB ASP A 73 8.027 -7.996 -6.171 1.00 0.00 C ATOM 1077 CG ASP A 73 9.367 -7.850 -6.862 1.00 0.00 C ATOM 1078 OD1 ASP A 73 10.330 -8.527 -6.446 1.00 0.00 O ATOM 1079 OD2 ASP A 73 9.481 -7.097 -7.845 1.00 0.00 O ATOM 0 H ASP A 73 6.058 -8.075 -4.675 1.00 0.00 H new ATOM 0 HA ASP A 73 8.715 -7.074 -4.357 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.925 -9.016 -5.801 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.231 -7.840 -6.899 1.00 0.00 H new ATOM 1084 N GLU A 74 6.484 -5.233 -5.913 1.00 0.00 N ATOM 1085 CA GLU A 74 6.185 -3.917 -6.479 1.00 0.00 C ATOM 1086 C GLU A 74 6.382 -2.824 -5.440 1.00 0.00 C ATOM 1087 O GLU A 74 7.025 -1.808 -5.706 1.00 0.00 O ATOM 1088 CB GLU A 74 4.751 -3.866 -7.008 1.00 0.00 C ATOM 1089 CG GLU A 74 4.437 -4.871 -8.098 1.00 0.00 C ATOM 1090 CD GLU A 74 5.295 -4.689 -9.319 1.00 0.00 C ATOM 1091 OE1 GLU A 74 6.375 -5.282 -9.384 1.00 0.00 O ATOM 1092 OE2 GLU A 74 4.898 -3.958 -10.240 1.00 0.00 O ATOM 0 H GLU A 74 5.671 -5.844 -5.835 1.00 0.00 H new ATOM 0 HA GLU A 74 6.875 -3.749 -7.306 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.066 -4.029 -6.176 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.556 -2.864 -7.390 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.576 -5.879 -7.708 1.00 0.00 H new ATOM 0 HG3 GLU A 74 3.388 -4.780 -8.379 1.00 0.00 H new ATOM 1099 N VAL A 75 5.838 -3.043 -4.253 1.00 0.00 N ATOM 1100 CA VAL A 75 5.981 -2.076 -3.180 1.00 0.00 C ATOM 1101 C VAL A 75 7.437 -1.925 -2.741 1.00 0.00 C ATOM 1102 O VAL A 75 7.903 -0.808 -2.551 1.00 0.00 O ATOM 1103 CB VAL A 75 5.042 -2.340 -1.963 1.00 0.00 C ATOM 1104 CG1 VAL A 75 3.613 -2.011 -2.319 1.00 0.00 C ATOM 1105 CG2 VAL A 75 5.102 -3.776 -1.543 1.00 0.00 C ATOM 0 H VAL A 75 5.299 -3.874 -4.011 1.00 0.00 H new ATOM 0 HA VAL A 75 5.656 -1.126 -3.604 1.00 0.00 H new ATOM 0 HB VAL A 75 5.381 -1.704 -1.145 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.971 -2.201 -1.459 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.541 -0.961 -2.601 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.294 -2.634 -3.155 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.439 -3.934 -0.693 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.788 -4.411 -2.372 1.00 0.00 H new ATOM 0 HG23 VAL A 75 6.123 -4.030 -1.259 1.00 0.00 H new ATOM 1115 N LYS A 76 8.174 -3.044 -2.650 1.00 0.00 N ATOM 1116 CA LYS A 76 9.592 -2.998 -2.267 1.00 0.00 C ATOM 1117 C LYS A 76 10.422 -2.250 -3.282 1.00 0.00 C ATOM 1118 O LYS A 76 11.369 -1.540 -2.911 1.00 0.00 O ATOM 1119 CB LYS A 76 10.182 -4.392 -2.032 1.00 0.00 C ATOM 1120 CG LYS A 76 9.699 -5.062 -0.762 1.00 0.00 C ATOM 1121 CD LYS A 76 10.347 -6.431 -0.539 1.00 0.00 C ATOM 1122 CE LYS A 76 11.862 -6.343 -0.325 1.00 0.00 C ATOM 1123 NZ LYS A 76 12.230 -5.526 0.864 1.00 0.00 N ATOM 0 H LYS A 76 7.815 -3.981 -2.834 1.00 0.00 H new ATOM 0 HA LYS A 76 9.628 -2.457 -1.321 1.00 0.00 H new ATOM 0 HB2 LYS A 76 9.934 -5.028 -2.882 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.269 -4.314 -1.998 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.916 -4.418 0.090 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.616 -5.179 -0.806 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.889 -6.908 0.328 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.143 -7.069 -1.399 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.267 -7.348 -0.209 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.325 -5.913 -1.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.248 -5.624 1.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.006 -4.527 0.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.693 -5.856 1.691 1.00 0.00 H new ATOM 1137 N ALA A 77 10.054 -2.388 -4.546 1.00 0.00 N ATOM 1138 CA ALA A 77 10.738 -1.727 -5.638 1.00 0.00 C ATOM 1139 C ALA A 77 10.649 -0.209 -5.522 1.00 0.00 C ATOM 1140 O ALA A 77 11.598 0.503 -5.862 1.00 0.00 O ATOM 1141 CB ALA A 77 10.177 -2.185 -6.970 1.00 0.00 C ATOM 0 H ALA A 77 9.267 -2.966 -4.841 1.00 0.00 H new ATOM 0 HA ALA A 77 11.791 -2.004 -5.581 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.702 -1.678 -7.780 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.310 -3.262 -7.070 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.115 -1.944 -7.020 1.00 0.00 H new ATOM 1147 N LYS A 78 9.510 0.300 -5.082 1.00 0.00 N ATOM 1148 CA LYS A 78 9.392 1.731 -4.923 1.00 0.00 C ATOM 1149 C LYS A 78 9.931 2.173 -3.546 1.00 0.00 C ATOM 1150 O LYS A 78 10.653 3.169 -3.434 1.00 0.00 O ATOM 1151 CB LYS A 78 7.950 2.231 -5.092 1.00 0.00 C ATOM 1152 CG LYS A 78 7.921 3.701 -5.485 1.00 0.00 C ATOM 1153 CD LYS A 78 6.608 4.395 -5.197 1.00 0.00 C ATOM 1154 CE LYS A 78 6.709 5.851 -5.631 1.00 0.00 C ATOM 1155 NZ LYS A 78 5.549 6.664 -5.233 1.00 0.00 N ATOM 0 H LYS A 78 8.680 -0.240 -4.836 1.00 0.00 H new ATOM 0 HA LYS A 78 9.992 2.178 -5.716 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.443 1.638 -5.853 1.00 0.00 H new ATOM 0 HB3 LYS A 78 7.402 2.090 -4.161 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.718 4.223 -4.956 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.137 3.785 -6.550 1.00 0.00 H new ATOM 0 HD2 LYS A 78 5.796 3.899 -5.729 1.00 0.00 H new ATOM 0 HD3 LYS A 78 6.376 4.335 -4.134 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.612 6.287 -5.204 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.817 5.892 -6.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 5.581 7.579 -5.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 4.672 6.165 -5.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 5.573 6.823 -4.206 1.00 0.00 H new ATOM 1169 N LEU A 79 9.589 1.402 -2.517 1.00 0.00 N ATOM 1170 CA LEU A 79 9.908 1.716 -1.113 1.00 0.00 C ATOM 1171 C LEU A 79 11.416 1.854 -0.876 1.00 0.00 C ATOM 1172 O LEU A 79 11.860 2.745 -0.128 1.00 0.00 O ATOM 1173 CB LEU A 79 9.319 0.640 -0.185 1.00 0.00 C ATOM 1174 CG LEU A 79 9.441 0.876 1.324 1.00 0.00 C ATOM 1175 CD1 LEU A 79 8.653 2.107 1.745 1.00 0.00 C ATOM 1176 CD2 LEU A 79 8.961 -0.346 2.088 1.00 0.00 C ATOM 0 H LEU A 79 9.075 0.528 -2.629 1.00 0.00 H new ATOM 0 HA LEU A 79 9.457 2.682 -0.884 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.262 0.528 -0.425 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.801 -0.309 -0.419 1.00 0.00 H new ATOM 0 HG LEU A 79 10.491 1.047 1.560 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.755 2.254 2.820 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.038 2.982 1.221 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.601 1.968 1.496 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.053 -0.165 3.159 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.918 -0.542 1.842 1.00 0.00 H new ATOM 0 HD23 LEU A 79 9.567 -1.209 1.812 1.00 0.00 H new ATOM 1188 N VAL A 80 12.198 1.010 -1.547 1.00 0.00 N ATOM 1189 CA VAL A 80 13.660 1.014 -1.417 1.00 0.00 C ATOM 1190 C VAL A 80 14.240 2.391 -1.813 1.00 0.00 C ATOM 1191 O VAL A 80 15.232 2.870 -1.231 1.00 0.00 O ATOM 1192 CB VAL A 80 14.304 -0.127 -2.287 1.00 0.00 C ATOM 1193 CG1 VAL A 80 14.069 0.073 -3.778 1.00 0.00 C ATOM 1194 CG2 VAL A 80 15.783 -0.305 -1.986 1.00 0.00 C ATOM 0 H VAL A 80 11.842 0.306 -2.194 1.00 0.00 H new ATOM 0 HA VAL A 80 13.906 0.825 -0.372 1.00 0.00 H new ATOM 0 HB VAL A 80 13.794 -1.048 -2.003 1.00 0.00 H new ATOM 0 HG11 VAL A 80 14.534 -0.742 -4.332 1.00 0.00 H new ATOM 0 HG12 VAL A 80 12.998 0.084 -3.979 1.00 0.00 H new ATOM 0 HG13 VAL A 80 14.507 1.021 -4.091 1.00 0.00 H new ATOM 0 HG21 VAL A 80 16.188 -1.103 -2.609 1.00 0.00 H new ATOM 0 HG22 VAL A 80 16.312 0.624 -2.198 1.00 0.00 H new ATOM 0 HG23 VAL A 80 15.912 -0.564 -0.935 1.00 0.00 H new ATOM 1204 N LYS A 81 13.564 3.044 -2.743 1.00 0.00 N ATOM 1205 CA LYS A 81 13.995 4.310 -3.278 1.00 0.00 C ATOM 1206 C LYS A 81 13.610 5.452 -2.354 1.00 0.00 C ATOM 1207 O LYS A 81 14.320 6.449 -2.275 1.00 0.00 O ATOM 1208 CB LYS A 81 13.389 4.523 -4.656 1.00 0.00 C ATOM 1209 CG LYS A 81 13.677 3.386 -5.626 1.00 0.00 C ATOM 1210 CD LYS A 81 13.081 3.634 -6.998 1.00 0.00 C ATOM 1211 CE LYS A 81 13.733 4.806 -7.705 1.00 0.00 C ATOM 1212 NZ LYS A 81 15.184 4.604 -7.920 1.00 0.00 N ATOM 0 H LYS A 81 12.693 2.701 -3.147 1.00 0.00 H new ATOM 0 HA LYS A 81 15.082 4.295 -3.362 1.00 0.00 H new ATOM 0 HB2 LYS A 81 12.310 4.641 -4.556 1.00 0.00 H new ATOM 0 HB3 LYS A 81 13.774 5.453 -5.074 1.00 0.00 H new ATOM 0 HG2 LYS A 81 14.755 3.255 -5.719 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.277 2.456 -5.221 1.00 0.00 H new ATOM 0 HD2 LYS A 81 13.192 2.737 -7.608 1.00 0.00 H new ATOM 0 HD3 LYS A 81 12.012 3.821 -6.899 1.00 0.00 H new ATOM 0 HE2 LYS A 81 13.245 4.963 -8.667 1.00 0.00 H new ATOM 0 HE3 LYS A 81 13.579 5.711 -7.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 15.504 5.200 -8.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 15.703 4.866 -7.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 15.366 3.605 -8.144 1.00 0.00 H new ATOM 1226 N ILE A 82 12.498 5.289 -1.644 1.00 0.00 N ATOM 1227 CA ILE A 82 12.010 6.315 -0.716 1.00 0.00 C ATOM 1228 C ILE A 82 12.941 6.376 0.483 1.00 0.00 C ATOM 1229 O ILE A 82 13.346 7.458 0.933 1.00 0.00 O ATOM 1230 CB ILE A 82 10.576 6.000 -0.216 1.00 0.00 C ATOM 1231 CG1 ILE A 82 9.629 5.785 -1.400 1.00 0.00 C ATOM 1232 CG2 ILE A 82 10.058 7.124 0.689 1.00 0.00 C ATOM 1233 CD1 ILE A 82 8.220 5.415 -1.005 1.00 0.00 C ATOM 0 H ILE A 82 11.913 4.455 -1.691 1.00 0.00 H new ATOM 0 HA ILE A 82 11.987 7.268 -1.245 1.00 0.00 H new ATOM 0 HB ILE A 82 10.613 5.080 0.368 1.00 0.00 H new ATOM 0 HG12 ILE A 82 9.600 6.696 -1.998 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.034 4.999 -2.037 1.00 0.00 H new ATOM 0 HG21 ILE A 82 9.051 6.883 1.028 1.00 0.00 H new ATOM 0 HG22 ILE A 82 10.716 7.229 1.551 1.00 0.00 H new ATOM 0 HG23 ILE A 82 10.038 8.060 0.131 1.00 0.00 H new ATOM 0 HD11 ILE A 82 7.614 5.281 -1.901 1.00 0.00 H new ATOM 0 HD12 ILE A 82 8.234 4.487 -0.434 1.00 0.00 H new ATOM 0 HD13 ILE A 82 7.793 6.210 -0.394 1.00 0.00 H new ATOM 1245 N ALA A 83 13.295 5.197 0.979 1.00 0.00 N ATOM 1246 CA ALA A 83 14.223 5.080 2.088 1.00 0.00 C ATOM 1247 C ALA A 83 15.614 5.512 1.636 1.00 0.00 C ATOM 1248 O ALA A 83 16.425 5.989 2.427 1.00 0.00 O ATOM 1249 CB ALA A 83 14.239 3.653 2.612 1.00 0.00 C ATOM 0 H ALA A 83 12.949 4.305 0.625 1.00 0.00 H new ATOM 0 HA ALA A 83 13.902 5.732 2.900 1.00 0.00 H new ATOM 0 HB1 ALA A 83 14.939 3.579 3.444 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.240 3.379 2.953 1.00 0.00 H new ATOM 0 HB3 ALA A 83 14.549 2.976 1.816 1.00 0.00 H new ATOM 1255 N GLY A 84 15.867 5.345 0.344 1.00 0.00 N ATOM 1256 CA GLY A 84 17.113 5.770 -0.245 1.00 0.00 C ATOM 1257 C GLY A 84 18.237 4.842 0.087 1.00 0.00 C ATOM 1258 O GLY A 84 19.389 5.253 0.207 1.00 0.00 O ATOM 0 H GLY A 84 15.216 4.915 -0.313 1.00 0.00 H new ATOM 0 HA2 GLY A 84 17.000 5.829 -1.328 1.00 0.00 H new ATOM 0 HA3 GLY A 84 17.356 6.773 0.106 1.00 0.00 H new ATOM 1262 N LEU A 85 17.916 3.577 0.205 1.00 0.00 N ATOM 1263 CA LEU A 85 18.902 2.585 0.571 1.00 0.00 C ATOM 1264 C LEU A 85 19.433 1.905 -0.684 1.00 0.00 C ATOM 1265 O LEU A 85 20.094 0.884 -0.616 1.00 0.00 O ATOM 1266 CB LEU A 85 18.292 1.543 1.518 1.00 0.00 C ATOM 1267 CG LEU A 85 17.629 2.068 2.795 1.00 0.00 C ATOM 1268 CD1 LEU A 85 16.991 0.921 3.555 1.00 0.00 C ATOM 1269 CD2 LEU A 85 18.630 2.802 3.677 1.00 0.00 C ATOM 0 H LEU A 85 16.978 3.207 0.053 1.00 0.00 H new ATOM 0 HA LEU A 85 19.724 3.079 1.089 1.00 0.00 H new ATOM 0 HB2 LEU A 85 17.549 0.972 0.961 1.00 0.00 H new ATOM 0 HB3 LEU A 85 19.079 0.846 1.807 1.00 0.00 H new ATOM 0 HG LEU A 85 16.855 2.781 2.510 1.00 0.00 H new ATOM 0 HD11 LEU A 85 16.522 1.302 4.462 1.00 0.00 H new ATOM 0 HD12 LEU A 85 16.237 0.444 2.929 1.00 0.00 H new ATOM 0 HD13 LEU A 85 17.755 0.191 3.821 1.00 0.00 H new ATOM 0 HD21 LEU A 85 18.128 3.162 4.575 1.00 0.00 H new ATOM 0 HD22 LEU A 85 19.434 2.122 3.959 1.00 0.00 H new ATOM 0 HD23 LEU A 85 19.045 3.648 3.130 1.00 0.00 H new ATOM 1281 N GLU A 86 19.165 2.506 -1.833 1.00 0.00 N ATOM 1282 CA GLU A 86 19.612 1.956 -3.108 1.00 0.00 C ATOM 1283 C GLU A 86 21.001 2.497 -3.459 1.00 0.00 C ATOM 1284 O GLU A 86 21.553 2.224 -4.524 1.00 0.00 O ATOM 1285 CB GLU A 86 18.619 2.289 -4.227 1.00 0.00 C ATOM 1286 CG GLU A 86 18.501 3.767 -4.541 1.00 0.00 C ATOM 1287 CD GLU A 86 17.638 4.030 -5.744 1.00 0.00 C ATOM 1288 OE1 GLU A 86 17.988 3.582 -6.848 1.00 0.00 O ATOM 1289 OE2 GLU A 86 16.613 4.739 -5.619 1.00 0.00 O ATOM 0 H GLU A 86 18.639 3.377 -1.911 1.00 0.00 H new ATOM 0 HA GLU A 86 19.666 0.872 -3.010 1.00 0.00 H new ATOM 0 HB2 GLU A 86 18.920 1.761 -5.132 1.00 0.00 H new ATOM 0 HB3 GLU A 86 17.636 1.910 -3.948 1.00 0.00 H new ATOM 0 HG2 GLU A 86 18.085 4.287 -3.678 1.00 0.00 H new ATOM 0 HG3 GLU A 86 19.495 4.180 -4.713 1.00 0.00 H new ATOM 1296 N HIS A 87 21.553 3.251 -2.555 1.00 0.00 N ATOM 1297 CA HIS A 87 22.848 3.849 -2.725 1.00 0.00 C ATOM 1298 C HIS A 87 23.800 3.131 -1.789 1.00 0.00 C ATOM 1299 O HIS A 87 23.377 2.669 -0.726 1.00 0.00 O ATOM 1300 CB HIS A 87 22.760 5.345 -2.369 1.00 0.00 C ATOM 1301 CG HIS A 87 24.000 6.150 -2.654 1.00 0.00 C ATOM 1302 ND1 HIS A 87 24.963 6.453 -1.712 1.00 0.00 N ATOM 1303 CD2 HIS A 87 24.404 6.742 -3.803 1.00 0.00 C ATOM 1304 CE1 HIS A 87 25.898 7.204 -2.305 1.00 0.00 C ATOM 1305 NE2 HIS A 87 25.605 7.410 -3.580 1.00 0.00 N ATOM 0 H HIS A 87 21.110 3.473 -1.663 1.00 0.00 H new ATOM 0 HA HIS A 87 23.200 3.763 -3.753 1.00 0.00 H new ATOM 0 HB2 HIS A 87 21.928 5.784 -2.919 1.00 0.00 H new ATOM 0 HB3 HIS A 87 22.524 5.436 -1.309 1.00 0.00 H new ATOM 0 HD2 HIS A 87 23.877 6.702 -4.745 1.00 0.00 H new ATOM 0 HE1 HIS A 87 26.776 7.591 -1.809 1.00 0.00 H new ATOM 0 HE2 HIS A 87 26.147 7.946 -4.258 1.00 0.00 H new ATOM 1313 N HIS A 88 25.040 2.999 -2.172 1.00 0.00 N ATOM 1314 CA HIS A 88 26.006 2.346 -1.328 1.00 0.00 C ATOM 1315 C HIS A 88 27.147 3.296 -0.994 1.00 0.00 C ATOM 1316 O HIS A 88 27.184 3.799 0.142 1.00 0.00 O ATOM 1317 CB HIS A 88 26.478 0.965 -1.890 1.00 0.00 C ATOM 1318 CG HIS A 88 27.197 0.967 -3.223 1.00 0.00 C ATOM 1319 ND1 HIS A 88 26.570 1.066 -4.446 1.00 0.00 N ATOM 1320 CD2 HIS A 88 28.518 0.847 -3.496 1.00 0.00 C ATOM 1321 CE1 HIS A 88 27.506 1.004 -5.397 1.00 0.00 C ATOM 1322 NE2 HIS A 88 28.709 0.871 -4.874 1.00 0.00 N ATOM 0 H HIS A 88 25.407 3.334 -3.063 1.00 0.00 H new ATOM 0 HA HIS A 88 25.514 2.094 -0.389 1.00 0.00 H new ATOM 0 HB2 HIS A 88 27.137 0.508 -1.152 1.00 0.00 H new ATOM 0 HB3 HIS A 88 25.604 0.320 -1.979 1.00 0.00 H new ATOM 0 HD2 HIS A 88 29.301 0.748 -2.759 1.00 0.00 H new ATOM 0 HE1 HIS A 88 27.304 1.056 -6.457 1.00 0.00 H new ATOM 0 HE2 HIS A 88 29.595 0.800 -5.375 1.00 0.00 H new TER 1330 HIS A 88