USER MOD reduce.3.24.130724 H: found=0, std=0, add=1004, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1004 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 108 GLN : amide:sc= -0.757 K(o=-0.76,f=-1.8) USER MOD Set 1.2: A 110 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 92 GLN : amide:sc= 1.76 K(o=2,f=-3.3) USER MOD Set 2.2: A 94 THR OG1 : rot 131:sc= 0.742 USER MOD Set 2.3: A 118 SER OG : rot -80:sc= 1.06 USER MOD Set 2.4: A 125 HIS :FLIP no HD1:sc= -1.58 F(o=1.1!,f=2) USER MOD Set 3.1: A 85 TYR OH : rot -159:sc= 1.22 USER MOD Set 3.2: A 93 GLN : amide:sc= 0.531 K(o=1.8,f=-3.2!) USER MOD Set 4.1: A 61 LYS NZ :NH3+ 167:sc= 0.201 (180deg=0) USER MOD Set 4.2: A 86 THR OG1 : rot -120:sc= 0.181 USER MOD Set 5.1: A 11 TYR OH : rot -128:sc= 0.53 USER MOD Set 5.2: A 37 HIS : no HD1:sc= 0 X(o=0.53,f=0.28) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 161:sc= 1.11 (180deg=0.839) USER MOD Single : A 2 ASN : amide:sc= 0 K(o=0,f=-2.4!) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 GLN :FLIP amide:sc= 0 F(o=-0.61,f=0) USER MOD Single : A 10 SER OG : rot 18:sc= 0.875 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -144:sc= 0.921 (180deg=0.298) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 53:sc= -0.111 USER MOD Single : A 35 GLN :FLIP amide:sc= -0.0568 F(o=-3.2!,f=-0.057) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 169:sc= -0.0147 (180deg=-0.182) USER MOD Single : A 47 TYR OH : rot 116:sc= 0.0427 USER MOD Single : A 51 TYR OH : rot 140:sc= -2.52! USER MOD Single : A 53 GLN : amide:sc= -0.644 X(o=-0.64,f=-0.85) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -160:sc= -0.132 (180deg=-0.89) USER MOD Single : A 63 SER OG : rot 180:sc= 0.0139 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.00472 USER MOD Single : A 71 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 74 TYR OH : rot 180:sc= 0.447 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 90:sc= 1.14 USER MOD Single : A 89 SER OG : rot 158:sc= -2.13! USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD Single : A 102 SER OG : rot 67:sc= -2.9! USER MOD Single : A 105 GLN : amide:sc= 0.662 K(o=0.66,f=-4.4!) USER MOD Single : A 107 GLN : amide:sc= -2.43! C(o=-2.4!,f=-5.6!) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -0.324 K(o=-0.32,f=-3.2!) USER MOD Single : A 115 ASN : amide:sc= -0.317 K(o=-0.32,f=-5.6!) USER MOD Single : A 117 SER OG : rot 6:sc= 0.901 USER MOD Single : A 119 LYS NZ :NH3+ -140:sc= -1.73! (180deg=-4.22!) USER MOD Single : A 126 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 128 HIS : no HD1:sc= -0.079 X(o=-0.079,f=0) USER MOD Single : A 129 HIS : no HE2:sc= -0.141 K(o=-0.14,f=-4.9!) USER MOD Single : A 130 HIS :FLIP no HE2:sc= 0.162 F(o=-0.89,f=0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.868 -17.199 -5.020 1.00 0.00 N ATOM 2 CA MET A 1 -13.416 -18.431 -4.407 1.00 0.00 C ATOM 3 C MET A 1 -12.298 -19.393 -4.022 1.00 0.00 C ATOM 4 O MET A 1 -12.552 -20.560 -3.730 1.00 0.00 O ATOM 5 CB MET A 1 -14.382 -19.135 -5.369 1.00 0.00 C ATOM 6 CG MET A 1 -15.687 -18.390 -5.609 1.00 0.00 C ATOM 7 SD MET A 1 -15.449 -16.798 -6.420 1.00 0.00 S ATOM 8 CE MET A 1 -17.147 -16.260 -6.612 1.00 0.00 C ATOM 0 H1 MET A 1 -13.617 -16.715 -5.556 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.513 -16.568 -4.273 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.089 -17.448 -5.662 1.00 0.00 H new ATOM 0 HA MET A 1 -13.957 -18.136 -3.508 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.880 -19.281 -6.326 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.611 -20.125 -4.975 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.345 -19.008 -6.220 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.191 -18.234 -4.655 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.167 -15.286 -7.101 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.691 -16.982 -7.221 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.618 -16.184 -5.632 1.00 0.00 H new ATOM 20 N ASN A 2 -11.061 -18.908 -4.019 1.00 0.00 N ATOM 21 CA ASN A 2 -9.917 -19.743 -3.668 1.00 0.00 C ATOM 22 C ASN A 2 -9.357 -19.324 -2.320 1.00 0.00 C ATOM 23 O ASN A 2 -8.471 -18.467 -2.230 1.00 0.00 O ATOM 24 CB ASN A 2 -8.826 -19.668 -4.743 1.00 0.00 C ATOM 25 CG ASN A 2 -9.191 -20.426 -6.010 1.00 0.00 C ATOM 26 OD1 ASN A 2 -10.362 -20.533 -6.377 1.00 0.00 O ATOM 27 ND2 ASN A 2 -8.187 -20.958 -6.687 1.00 0.00 N ATOM 0 H ASN A 2 -10.825 -17.944 -4.255 1.00 0.00 H new ATOM 0 HA ASN A 2 -10.258 -20.776 -3.606 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -8.639 -18.623 -4.992 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -7.897 -20.071 -4.339 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -8.369 -21.478 -7.545 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -7.230 -20.848 -6.351 1.00 0.00 H new ATOM 34 N ASP A 3 -9.899 -19.918 -1.272 1.00 0.00 N ATOM 35 CA ASP A 3 -9.526 -19.565 0.093 1.00 0.00 C ATOM 36 C ASP A 3 -8.782 -20.723 0.752 1.00 0.00 C ATOM 37 O ASP A 3 -7.960 -20.518 1.648 1.00 0.00 O ATOM 38 CB ASP A 3 -10.783 -19.214 0.896 1.00 0.00 C ATOM 39 CG ASP A 3 -10.490 -18.390 2.135 1.00 0.00 C ATOM 40 OD1 ASP A 3 -10.165 -18.971 3.187 1.00 0.00 O ATOM 41 OD2 ASP A 3 -10.606 -17.145 2.062 1.00 0.00 O ATOM 0 H ASP A 3 -10.604 -20.652 -1.338 1.00 0.00 H new ATOM 0 HA ASP A 3 -8.865 -18.698 0.071 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -11.473 -18.664 0.256 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.287 -20.135 1.191 1.00 0.00 H new ATOM 46 N ASP A 4 -9.078 -21.939 0.280 1.00 0.00 N ATOM 47 CA ASP A 4 -8.473 -23.168 0.805 1.00 0.00 C ATOM 48 C ASP A 4 -8.879 -23.370 2.268 1.00 0.00 C ATOM 49 O ASP A 4 -9.850 -22.771 2.736 1.00 0.00 O ATOM 50 CB ASP A 4 -6.937 -23.126 0.654 1.00 0.00 C ATOM 51 CG ASP A 4 -6.283 -24.492 0.792 1.00 0.00 C ATOM 52 OD1 ASP A 4 -6.273 -25.255 -0.195 1.00 0.00 O ATOM 53 OD2 ASP A 4 -5.779 -24.813 1.888 1.00 0.00 O ATOM 0 H ASP A 4 -9.743 -22.099 -0.476 1.00 0.00 H new ATOM 0 HA ASP A 4 -8.840 -24.016 0.227 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -6.686 -22.707 -0.320 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -6.523 -22.455 1.406 1.00 0.00 H new ATOM 58 N VAL A 5 -8.165 -24.224 2.979 1.00 0.00 N ATOM 59 CA VAL A 5 -8.409 -24.437 4.392 1.00 0.00 C ATOM 60 C VAL A 5 -7.122 -24.158 5.169 1.00 0.00 C ATOM 61 O VAL A 5 -6.222 -24.996 5.265 1.00 0.00 O ATOM 62 CB VAL A 5 -8.960 -25.859 4.679 1.00 0.00 C ATOM 63 CG1 VAL A 5 -8.056 -26.943 4.101 1.00 0.00 C ATOM 64 CG2 VAL A 5 -9.174 -26.067 6.171 1.00 0.00 C ATOM 0 H VAL A 5 -7.405 -24.786 2.595 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.182 -23.744 4.724 1.00 0.00 H new ATOM 0 HB VAL A 5 -9.926 -25.942 4.180 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -8.476 -27.924 4.323 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -7.981 -26.817 3.021 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -7.064 -26.864 4.545 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -9.561 -27.071 6.347 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -8.226 -25.946 6.695 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -9.889 -25.333 6.542 1.00 0.00 H new ATOM 74 N ASP A 6 -7.022 -22.946 5.682 1.00 0.00 N ATOM 75 CA ASP A 6 -5.787 -22.477 6.292 1.00 0.00 C ATOM 76 C ASP A 6 -5.740 -22.837 7.776 1.00 0.00 C ATOM 77 O ASP A 6 -6.722 -23.312 8.345 1.00 0.00 O ATOM 78 CB ASP A 6 -5.658 -20.962 6.098 1.00 0.00 C ATOM 79 CG ASP A 6 -4.238 -20.453 6.264 1.00 0.00 C ATOM 80 OD1 ASP A 6 -3.318 -21.279 6.454 1.00 0.00 O ATOM 81 OD2 ASP A 6 -4.034 -19.222 6.190 1.00 0.00 O ATOM 0 H ASP A 6 -7.782 -22.265 5.689 1.00 0.00 H new ATOM 0 HA ASP A 6 -4.946 -22.970 5.804 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -6.017 -20.699 5.103 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -6.304 -20.455 6.814 1.00 0.00 H new ATOM 86 N ILE A 7 -4.591 -22.606 8.391 1.00 0.00 N ATOM 87 CA ILE A 7 -4.386 -22.906 9.802 1.00 0.00 C ATOM 88 C ILE A 7 -4.686 -21.674 10.651 1.00 0.00 C ATOM 89 O ILE A 7 -4.043 -21.431 11.676 1.00 0.00 O ATOM 90 CB ILE A 7 -2.938 -23.376 10.059 1.00 0.00 C ATOM 91 CG1 ILE A 7 -1.937 -22.309 9.596 1.00 0.00 C ATOM 92 CG2 ILE A 7 -2.688 -24.697 9.347 1.00 0.00 C ATOM 93 CD1 ILE A 7 -0.495 -22.647 9.905 1.00 0.00 C ATOM 0 H ILE A 7 -3.775 -22.206 7.928 1.00 0.00 H new ATOM 0 HA ILE A 7 -5.067 -23.710 10.081 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.799 -23.526 11.130 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.044 -22.166 8.521 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.187 -21.360 10.070 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.664 -25.022 9.533 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.382 -25.449 9.722 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.838 -24.567 8.275 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.151 -21.845 9.547 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.371 -22.760 10.982 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.225 -23.579 9.409 1.00 0.00 H new ATOM 105 N GLN A 8 -5.679 -20.913 10.214 1.00 0.00 N ATOM 106 CA GLN A 8 -6.052 -19.666 10.867 1.00 0.00 C ATOM 107 C GLN A 8 -6.544 -19.900 12.297 1.00 0.00 C ATOM 108 O GLN A 8 -7.610 -20.471 12.523 1.00 0.00 O ATOM 109 CB GLN A 8 -7.113 -18.941 10.033 1.00 0.00 C ATOM 110 CG GLN A 8 -8.340 -19.782 9.722 1.00 0.00 C ATOM 111 CD GLN A 8 -9.307 -19.070 8.800 1.00 0.00 C ATOM 112 OE1 GLN A 8 -9.223 -19.194 7.576 1.00 0.00 O ATOM 113 NE2 GLN A 8 -10.229 -18.319 9.374 1.00 0.00 N ATOM 0 H GLN A 8 -6.248 -21.142 9.399 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.164 -19.038 10.935 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -7.427 -18.043 10.565 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -6.662 -18.615 9.096 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -8.028 -20.720 9.263 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -8.849 -20.036 10.652 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.265 -18.243 10.391 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -10.906 -17.815 8.801 1.00 0.00 H new ATOM 122 N GLN A 9 -5.744 -19.471 13.259 1.00 0.00 N ATOM 123 CA GLN A 9 -6.085 -19.619 14.664 1.00 0.00 C ATOM 124 C GLN A 9 -5.666 -18.374 15.433 1.00 0.00 C ATOM 125 O GLN A 9 -4.985 -17.510 14.874 1.00 0.00 O ATOM 126 CB GLN A 9 -5.414 -20.866 15.239 1.00 0.00 C ATOM 127 CG GLN A 9 -3.897 -20.838 15.158 1.00 0.00 C ATOM 128 CD GLN A 9 -3.275 -22.197 15.402 1.00 0.00 C ATOM 129 OE1 GLN A 9 -3.951 -23.037 16.170 1.00 0.00 O flip ATOM 130 NE2 GLN A 9 -2.199 -22.496 14.884 1.00 0.00 N flip ATOM 0 H GLN A 9 -4.848 -19.014 13.091 1.00 0.00 H new ATOM 0 HA GLN A 9 -7.164 -19.737 14.761 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -5.711 -20.979 16.282 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -5.781 -21.743 14.706 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -3.596 -20.476 14.175 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -3.511 -20.129 15.890 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -1.709 -21.819 14.298 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -1.797 -23.420 15.040 1.00 0.00 H new ATOM 139 N SER A 10 -6.086 -18.285 16.700 1.00 0.00 N ATOM 140 CA SER A 10 -5.850 -17.112 17.555 1.00 0.00 C ATOM 141 C SER A 10 -6.289 -15.825 16.851 1.00 0.00 C ATOM 142 O SER A 10 -5.825 -14.734 17.180 1.00 0.00 O ATOM 143 CB SER A 10 -4.374 -17.036 18.001 1.00 0.00 C ATOM 144 OG SER A 10 -3.472 -17.062 16.906 1.00 0.00 O ATOM 0 H SER A 10 -6.604 -19.030 17.166 1.00 0.00 H new ATOM 0 HA SER A 10 -6.458 -17.222 18.453 1.00 0.00 H new ATOM 0 HB2 SER A 10 -4.218 -16.122 18.574 1.00 0.00 H new ATOM 0 HB3 SER A 10 -4.156 -17.871 18.667 1.00 0.00 H new ATOM 0 HG SER A 10 -3.951 -16.831 16.082 1.00 0.00 H new ATOM 150 N TYR A 11 -7.233 -15.983 15.922 1.00 0.00 N ATOM 151 CA TYR A 11 -7.682 -14.918 15.025 1.00 0.00 C ATOM 152 C TYR A 11 -6.506 -14.241 14.320 1.00 0.00 C ATOM 153 O TYR A 11 -5.857 -13.348 14.868 1.00 0.00 O ATOM 154 CB TYR A 11 -8.539 -13.868 15.743 1.00 0.00 C ATOM 155 CG TYR A 11 -9.147 -12.873 14.777 1.00 0.00 C ATOM 156 CD1 TYR A 11 -10.278 -13.201 14.038 1.00 0.00 C ATOM 157 CD2 TYR A 11 -8.575 -11.621 14.576 1.00 0.00 C ATOM 158 CE1 TYR A 11 -10.818 -12.316 13.127 1.00 0.00 C ATOM 159 CE2 TYR A 11 -9.116 -10.729 13.670 1.00 0.00 C ATOM 160 CZ TYR A 11 -10.234 -11.083 12.948 1.00 0.00 C ATOM 161 OH TYR A 11 -10.761 -10.206 12.030 1.00 0.00 O ATOM 0 H TYR A 11 -7.715 -16.869 15.770 1.00 0.00 H new ATOM 0 HA TYR A 11 -8.308 -15.401 14.275 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -9.334 -14.367 16.297 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -7.927 -13.337 16.472 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -10.742 -14.166 14.179 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -7.695 -11.342 15.136 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -11.694 -12.590 12.558 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -8.664 -9.758 13.529 1.00 0.00 H new ATOM 0 HH TYR A 11 -10.053 -9.902 11.424 1.00 0.00 H new ATOM 171 N PRO A 12 -6.210 -14.676 13.091 1.00 0.00 N ATOM 172 CA PRO A 12 -5.193 -14.044 12.258 1.00 0.00 C ATOM 173 C PRO A 12 -5.732 -12.783 11.597 1.00 0.00 C ATOM 174 O PRO A 12 -6.945 -12.573 11.533 1.00 0.00 O ATOM 175 CB PRO A 12 -4.890 -15.116 11.215 1.00 0.00 C ATOM 176 CG PRO A 12 -6.169 -15.858 11.066 1.00 0.00 C ATOM 177 CD PRO A 12 -6.845 -15.818 12.412 1.00 0.00 C ATOM 0 HA PRO A 12 -4.315 -13.727 12.821 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -4.575 -14.673 10.270 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -4.085 -15.774 11.543 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -6.797 -15.399 10.302 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.987 -16.886 10.753 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -7.922 -15.677 12.315 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -6.693 -16.746 12.963 1.00 0.00 H new ATOM 185 N PHE A 13 -4.839 -11.941 11.118 1.00 0.00 N ATOM 186 CA PHE A 13 -5.249 -10.725 10.445 1.00 0.00 C ATOM 187 C PHE A 13 -5.226 -10.918 8.939 1.00 0.00 C ATOM 188 O PHE A 13 -4.318 -11.549 8.393 1.00 0.00 O ATOM 189 CB PHE A 13 -4.357 -9.553 10.856 1.00 0.00 C ATOM 190 CG PHE A 13 -4.548 -9.138 12.286 1.00 0.00 C ATOM 191 CD1 PHE A 13 -3.884 -9.794 13.309 1.00 0.00 C ATOM 192 CD2 PHE A 13 -5.399 -8.093 12.607 1.00 0.00 C ATOM 193 CE1 PHE A 13 -4.066 -9.417 14.625 1.00 0.00 C ATOM 194 CE2 PHE A 13 -5.583 -7.712 13.921 1.00 0.00 C ATOM 195 CZ PHE A 13 -4.916 -8.374 14.932 1.00 0.00 C ATOM 0 H PHE A 13 -3.830 -12.075 11.181 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.271 -10.493 10.745 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -3.314 -9.827 10.700 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.564 -8.702 10.207 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.216 -10.610 13.075 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.924 -7.571 11.821 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.543 -9.938 15.414 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -6.249 -6.896 14.158 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.059 -8.077 15.960 1.00 0.00 H new ATOM 205 N SER A 14 -6.237 -10.390 8.276 1.00 0.00 N ATOM 206 CA SER A 14 -6.351 -10.512 6.836 1.00 0.00 C ATOM 207 C SER A 14 -6.460 -9.134 6.194 1.00 0.00 C ATOM 208 O SER A 14 -7.328 -8.337 6.562 1.00 0.00 O ATOM 209 CB SER A 14 -7.573 -11.361 6.477 1.00 0.00 C ATOM 210 OG SER A 14 -7.524 -12.627 7.115 1.00 0.00 O ATOM 0 H SER A 14 -6.996 -9.869 8.716 1.00 0.00 H new ATOM 0 HA SER A 14 -5.456 -11.003 6.454 1.00 0.00 H new ATOM 0 HB2 SER A 14 -8.482 -10.837 6.772 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.620 -11.497 5.397 1.00 0.00 H new ATOM 0 HG SER A 14 -8.317 -13.148 6.870 1.00 0.00 H new ATOM 216 N ILE A 15 -5.562 -8.847 5.264 1.00 0.00 N ATOM 217 CA ILE A 15 -5.590 -7.586 4.540 1.00 0.00 C ATOM 218 C ILE A 15 -6.193 -7.808 3.161 1.00 0.00 C ATOM 219 O ILE A 15 -5.546 -8.379 2.280 1.00 0.00 O ATOM 220 CB ILE A 15 -4.181 -6.979 4.367 1.00 0.00 C ATOM 221 CG1 ILE A 15 -3.357 -7.098 5.660 1.00 0.00 C ATOM 222 CG2 ILE A 15 -4.288 -5.525 3.930 1.00 0.00 C ATOM 223 CD1 ILE A 15 -3.998 -6.459 6.868 1.00 0.00 C ATOM 0 H ILE A 15 -4.803 -9.472 4.993 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.191 -6.890 5.125 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.661 -7.543 3.593 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.184 -8.153 5.871 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.381 -6.642 5.498 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.289 -5.106 3.811 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.821 -5.469 2.981 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.832 -4.957 4.685 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.351 -6.589 7.735 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.145 -5.395 6.682 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.962 -6.930 7.061 1.00 0.00 H new ATOM 235 N GLU A 16 -7.429 -7.371 2.985 1.00 0.00 N ATOM 236 CA GLU A 16 -8.122 -7.543 1.719 1.00 0.00 C ATOM 237 C GLU A 16 -7.884 -6.331 0.830 1.00 0.00 C ATOM 238 O GLU A 16 -7.974 -5.190 1.285 1.00 0.00 O ATOM 239 CB GLU A 16 -9.623 -7.763 1.951 1.00 0.00 C ATOM 240 CG GLU A 16 -10.413 -7.994 0.670 1.00 0.00 C ATOM 241 CD GLU A 16 -11.848 -8.402 0.929 1.00 0.00 C ATOM 242 OE1 GLU A 16 -12.708 -7.511 1.103 1.00 0.00 O ATOM 243 OE2 GLU A 16 -12.128 -9.619 0.951 1.00 0.00 O ATOM 0 H GLU A 16 -7.974 -6.894 3.704 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.727 -8.426 1.217 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.758 -8.621 2.610 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.033 -6.896 2.469 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.402 -7.082 0.073 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.921 -8.768 0.080 1.00 0.00 H new ATOM 250 N THR A 17 -7.558 -6.581 -0.427 1.00 0.00 N ATOM 251 CA THR A 17 -7.273 -5.510 -1.365 1.00 0.00 C ATOM 252 C THR A 17 -8.150 -5.616 -2.605 1.00 0.00 C ATOM 253 O THR A 17 -8.499 -6.714 -3.042 1.00 0.00 O ATOM 254 CB THR A 17 -5.790 -5.523 -1.784 1.00 0.00 C ATOM 255 OG1 THR A 17 -5.364 -6.872 -2.041 1.00 0.00 O ATOM 256 CG2 THR A 17 -4.915 -4.900 -0.706 1.00 0.00 C ATOM 0 H THR A 17 -7.484 -7.519 -0.821 1.00 0.00 H new ATOM 0 HA THR A 17 -7.492 -4.570 -0.858 1.00 0.00 H new ATOM 0 HB THR A 17 -5.687 -4.932 -2.694 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.421 -6.872 -2.308 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.873 -4.921 -1.026 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.222 -3.868 -0.539 1.00 0.00 H new ATOM 0 HG23 THR A 17 -5.022 -5.464 0.220 1.00 0.00 H new ATOM 264 N MET A 18 -8.527 -4.472 -3.155 1.00 0.00 N ATOM 265 CA MET A 18 -9.304 -4.435 -4.385 1.00 0.00 C ATOM 266 C MET A 18 -8.377 -4.483 -5.593 1.00 0.00 C ATOM 267 O MET A 18 -7.265 -3.957 -5.544 1.00 0.00 O ATOM 268 CB MET A 18 -10.188 -3.184 -4.437 1.00 0.00 C ATOM 269 CG MET A 18 -11.450 -3.286 -3.588 1.00 0.00 C ATOM 270 SD MET A 18 -11.109 -3.448 -1.822 1.00 0.00 S ATOM 271 CE MET A 18 -12.766 -3.634 -1.168 1.00 0.00 C ATOM 0 H MET A 18 -8.307 -3.554 -2.768 1.00 0.00 H new ATOM 0 HA MET A 18 -9.955 -5.309 -4.406 1.00 0.00 H new ATOM 0 HB2 MET A 18 -9.606 -2.325 -4.104 1.00 0.00 H new ATOM 0 HB3 MET A 18 -10.472 -2.994 -5.472 1.00 0.00 H new ATOM 0 HG2 MET A 18 -12.064 -2.400 -3.753 1.00 0.00 H new ATOM 0 HG3 MET A 18 -12.034 -4.145 -3.919 1.00 0.00 H new ATOM 0 HE1 MET A 18 -12.719 -3.745 -0.085 1.00 0.00 H new ATOM 0 HE2 MET A 18 -13.357 -2.753 -1.417 1.00 0.00 H new ATOM 0 HE3 MET A 18 -13.232 -4.518 -1.603 1.00 0.00 H new ATOM 281 N PRO A 19 -8.819 -5.140 -6.681 1.00 0.00 N ATOM 282 CA PRO A 19 -8.015 -5.297 -7.901 1.00 0.00 C ATOM 283 C PRO A 19 -7.533 -3.963 -8.466 1.00 0.00 C ATOM 284 O PRO A 19 -8.236 -2.956 -8.398 1.00 0.00 O ATOM 285 CB PRO A 19 -8.976 -5.972 -8.882 1.00 0.00 C ATOM 286 CG PRO A 19 -9.981 -6.655 -8.022 1.00 0.00 C ATOM 287 CD PRO A 19 -10.139 -5.787 -6.806 1.00 0.00 C ATOM 0 HA PRO A 19 -7.106 -5.867 -7.710 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -9.449 -5.241 -9.539 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.453 -6.684 -9.521 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -10.930 -6.770 -8.546 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -9.645 -7.655 -7.747 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -10.936 -5.055 -6.935 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.385 -6.374 -5.921 1.00 0.00 H new ATOM 295 N VAL A 20 -6.333 -3.970 -9.030 1.00 0.00 N ATOM 296 CA VAL A 20 -5.726 -2.758 -9.564 1.00 0.00 C ATOM 297 C VAL A 20 -5.435 -2.902 -11.058 1.00 0.00 C ATOM 298 O VAL A 20 -5.299 -4.021 -11.564 1.00 0.00 O ATOM 299 CB VAL A 20 -4.418 -2.406 -8.814 1.00 0.00 C ATOM 300 CG1 VAL A 20 -4.706 -2.093 -7.355 1.00 0.00 C ATOM 301 CG2 VAL A 20 -3.402 -3.537 -8.927 1.00 0.00 C ATOM 0 H VAL A 20 -5.758 -4.806 -9.130 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.442 -1.949 -9.418 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.990 -1.519 -9.281 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.775 -1.848 -6.845 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.388 -1.245 -7.293 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.163 -2.961 -6.880 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.493 -3.264 -8.392 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.819 -4.446 -8.493 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.166 -3.711 -9.977 1.00 0.00 H new ATOM 311 N PRO A 21 -5.351 -1.773 -11.786 1.00 0.00 N ATOM 312 CA PRO A 21 -5.038 -1.777 -13.219 1.00 0.00 C ATOM 313 C PRO A 21 -3.672 -2.396 -13.498 1.00 0.00 C ATOM 314 O PRO A 21 -2.736 -2.237 -12.714 1.00 0.00 O ATOM 315 CB PRO A 21 -5.045 -0.293 -13.607 1.00 0.00 C ATOM 316 CG PRO A 21 -5.795 0.396 -12.519 1.00 0.00 C ATOM 317 CD PRO A 21 -5.561 -0.410 -11.272 1.00 0.00 C ATOM 0 HA PRO A 21 -5.752 -2.372 -13.789 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.030 0.096 -13.692 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.526 -0.142 -14.573 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.444 1.420 -12.392 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.858 0.451 -12.753 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.694 -0.051 -10.717 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -6.414 -0.362 -10.596 1.00 0.00 H new ATOM 325 N LYS A 22 -3.564 -3.096 -14.617 1.00 0.00 N ATOM 326 CA LYS A 22 -2.341 -3.808 -14.956 1.00 0.00 C ATOM 327 C LYS A 22 -1.395 -2.912 -15.742 1.00 0.00 C ATOM 328 O LYS A 22 -0.185 -2.929 -15.524 1.00 0.00 O ATOM 329 CB LYS A 22 -2.678 -5.067 -15.752 1.00 0.00 C ATOM 330 CG LYS A 22 -3.659 -5.979 -15.036 1.00 0.00 C ATOM 331 CD LYS A 22 -4.009 -7.195 -15.870 1.00 0.00 C ATOM 332 CE LYS A 22 -5.031 -8.071 -15.165 1.00 0.00 C ATOM 333 NZ LYS A 22 -5.339 -9.297 -15.943 1.00 0.00 N ATOM 0 H LYS A 22 -4.310 -3.186 -15.307 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.838 -4.099 -14.034 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.096 -4.779 -16.716 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.760 -5.618 -15.955 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.230 -6.300 -14.087 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.568 -5.424 -14.803 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.404 -6.876 -16.835 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.107 -7.773 -16.070 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.653 -8.350 -14.182 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.947 -7.503 -15.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -6.040 -9.868 -15.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.724 -9.031 -16.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.470 -9.852 -16.074 1.00 0.00 H new ATOM 347 N LYS A 23 -1.950 -2.131 -16.654 1.00 0.00 N ATOM 348 CA LYS A 23 -1.166 -1.159 -17.401 1.00 0.00 C ATOM 349 C LYS A 23 -1.325 0.222 -16.784 1.00 0.00 C ATOM 350 O LYS A 23 -2.404 0.811 -16.836 1.00 0.00 O ATOM 351 CB LYS A 23 -1.586 -1.113 -18.872 1.00 0.00 C ATOM 352 CG LYS A 23 -1.290 -2.388 -19.643 1.00 0.00 C ATOM 353 CD LYS A 23 -1.520 -2.191 -21.132 1.00 0.00 C ATOM 354 CE LYS A 23 -1.216 -3.456 -21.914 1.00 0.00 C ATOM 355 NZ LYS A 23 -1.299 -3.237 -23.382 1.00 0.00 N ATOM 0 H LYS A 23 -2.941 -2.150 -16.896 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.121 -1.466 -17.353 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.655 -0.908 -18.927 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.077 -0.281 -19.358 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.258 -2.691 -19.468 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.926 -3.194 -19.277 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.555 -1.895 -21.305 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.891 -1.378 -21.494 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.218 -3.810 -21.656 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.917 -4.239 -21.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.084 -4.125 -23.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.258 -2.923 -23.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.612 -2.509 -23.664 1.00 0.00 H new ATOM 369 N LEU A 24 -0.256 0.720 -16.186 1.00 0.00 N ATOM 370 CA LEU A 24 -0.265 2.045 -15.586 1.00 0.00 C ATOM 371 C LEU A 24 0.770 2.938 -16.247 1.00 0.00 C ATOM 372 O LEU A 24 1.955 2.596 -16.302 1.00 0.00 O ATOM 373 CB LEU A 24 0.004 1.961 -14.082 1.00 0.00 C ATOM 374 CG LEU A 24 -1.106 1.312 -13.258 1.00 0.00 C ATOM 375 CD1 LEU A 24 -0.693 1.220 -11.802 1.00 0.00 C ATOM 376 CD2 LEU A 24 -2.397 2.104 -13.392 1.00 0.00 C ATOM 0 H LEU A 24 0.632 0.226 -16.103 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.254 2.477 -15.741 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.926 1.401 -13.925 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.174 2.969 -13.703 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.277 0.304 -13.637 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.493 0.756 -11.226 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.212 0.618 -11.718 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.500 2.220 -11.415 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.179 1.629 -12.799 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.238 3.122 -13.035 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.701 2.130 -14.438 1.00 0.00 H new ATOM 388 N LYS A 25 0.318 4.070 -16.759 1.00 0.00 N ATOM 389 CA LYS A 25 1.210 5.038 -17.380 1.00 0.00 C ATOM 390 C LYS A 25 1.781 5.966 -16.314 1.00 0.00 C ATOM 391 O LYS A 25 1.270 6.019 -15.197 1.00 0.00 O ATOM 392 CB LYS A 25 0.473 5.837 -18.462 1.00 0.00 C ATOM 393 CG LYS A 25 -0.820 6.490 -17.987 1.00 0.00 C ATOM 394 CD LYS A 25 -1.453 7.334 -19.083 1.00 0.00 C ATOM 395 CE LYS A 25 -2.752 7.979 -18.623 1.00 0.00 C ATOM 396 NZ LYS A 25 -3.868 7.000 -18.524 1.00 0.00 N ATOM 0 H LYS A 25 -0.665 4.343 -16.757 1.00 0.00 H new ATOM 0 HA LYS A 25 2.032 4.507 -17.861 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.139 6.611 -18.843 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.246 5.173 -19.296 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.522 5.720 -17.668 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.615 7.115 -17.117 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.753 8.109 -19.394 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.646 6.710 -19.956 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.597 8.449 -17.652 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.028 8.771 -19.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.757 7.457 -18.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.676 6.191 -19.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.952 6.667 -17.542 1.00 0.00 H new ATOM 410 N VAL A 26 2.833 6.694 -16.649 1.00 0.00 N ATOM 411 CA VAL A 26 3.482 7.567 -15.680 1.00 0.00 C ATOM 412 C VAL A 26 2.582 8.755 -15.359 1.00 0.00 C ATOM 413 O VAL A 26 2.105 9.447 -16.260 1.00 0.00 O ATOM 414 CB VAL A 26 4.851 8.068 -16.189 1.00 0.00 C ATOM 415 CG1 VAL A 26 5.558 8.896 -15.123 1.00 0.00 C ATOM 416 CG2 VAL A 26 5.722 6.896 -16.621 1.00 0.00 C ATOM 0 H VAL A 26 3.255 6.700 -17.578 1.00 0.00 H new ATOM 0 HA VAL A 26 3.654 6.985 -14.775 1.00 0.00 H new ATOM 0 HB VAL A 26 4.678 8.707 -17.055 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.520 9.237 -15.506 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.943 9.759 -14.865 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.717 8.285 -14.234 1.00 0.00 H new ATOM 0 HG21 VAL A 26 6.683 7.268 -16.977 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.882 6.230 -15.773 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.225 6.350 -17.423 1.00 0.00 H new ATOM 426 N GLY A 27 2.328 8.970 -14.077 1.00 0.00 N ATOM 427 CA GLY A 27 1.441 10.041 -13.666 1.00 0.00 C ATOM 428 C GLY A 27 0.011 9.560 -13.506 1.00 0.00 C ATOM 429 O GLY A 27 -0.890 10.347 -13.211 1.00 0.00 O ATOM 0 H GLY A 27 2.721 8.421 -13.312 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.791 10.460 -12.723 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.474 10.843 -14.403 1.00 0.00 H new ATOM 433 N GLU A 28 -0.197 8.270 -13.712 1.00 0.00 N ATOM 434 CA GLU A 28 -1.514 7.674 -13.556 1.00 0.00 C ATOM 435 C GLU A 28 -1.687 7.198 -12.118 1.00 0.00 C ATOM 436 O GLU A 28 -0.725 6.773 -11.477 1.00 0.00 O ATOM 437 CB GLU A 28 -1.684 6.519 -14.545 1.00 0.00 C ATOM 438 CG GLU A 28 -3.075 5.908 -14.579 1.00 0.00 C ATOM 439 CD GLU A 28 -3.304 5.092 -15.835 1.00 0.00 C ATOM 440 OE1 GLU A 28 -2.421 4.294 -16.203 1.00 0.00 O ATOM 441 OE2 GLU A 28 -4.352 5.276 -16.488 1.00 0.00 O ATOM 0 H GLU A 28 0.532 7.613 -13.989 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.283 8.416 -13.770 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.435 6.875 -15.544 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.965 5.738 -14.297 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.214 5.274 -13.704 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.821 6.701 -14.520 1.00 0.00 H new ATOM 448 N THR A 29 -2.901 7.301 -11.604 1.00 0.00 N ATOM 449 CA THR A 29 -3.168 6.959 -10.220 1.00 0.00 C ATOM 450 C THR A 29 -4.030 5.706 -10.114 1.00 0.00 C ATOM 451 O THR A 29 -5.165 5.677 -10.591 1.00 0.00 O ATOM 452 CB THR A 29 -3.866 8.122 -9.490 1.00 0.00 C ATOM 453 OG1 THR A 29 -3.067 9.309 -9.596 1.00 0.00 O ATOM 454 CG2 THR A 29 -4.094 7.788 -8.023 1.00 0.00 C ATOM 0 H THR A 29 -3.717 7.619 -12.126 1.00 0.00 H new ATOM 0 HA THR A 29 -2.206 6.764 -9.746 1.00 0.00 H new ATOM 0 HB THR A 29 -4.836 8.288 -9.959 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.515 10.047 -9.132 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.588 8.626 -7.532 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.722 6.900 -7.945 1.00 0.00 H new ATOM 0 HG23 THR A 29 -3.136 7.598 -7.540 1.00 0.00 H new ATOM 462 N ALA A 30 -3.478 4.676 -9.494 1.00 0.00 N ATOM 463 CA ALA A 30 -4.218 3.459 -9.214 1.00 0.00 C ATOM 464 C ALA A 30 -4.569 3.406 -7.735 1.00 0.00 C ATOM 465 O ALA A 30 -3.678 3.381 -6.883 1.00 0.00 O ATOM 466 CB ALA A 30 -3.403 2.237 -9.611 1.00 0.00 C ATOM 0 H ALA A 30 -2.510 4.660 -9.173 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.138 3.459 -9.799 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.973 1.333 -9.394 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.181 2.279 -10.677 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.471 2.222 -9.046 1.00 0.00 H new ATOM 472 N GLU A 31 -5.856 3.413 -7.426 1.00 0.00 N ATOM 473 CA GLU A 31 -6.292 3.373 -6.042 1.00 0.00 C ATOM 474 C GLU A 31 -6.258 1.949 -5.509 1.00 0.00 C ATOM 475 O GLU A 31 -7.043 1.096 -5.925 1.00 0.00 O ATOM 476 CB GLU A 31 -7.700 3.952 -5.889 1.00 0.00 C ATOM 477 CG GLU A 31 -8.224 3.876 -4.460 1.00 0.00 C ATOM 478 CD GLU A 31 -9.591 4.501 -4.292 1.00 0.00 C ATOM 479 OE1 GLU A 31 -10.599 3.854 -4.652 1.00 0.00 O ATOM 480 OE2 GLU A 31 -9.667 5.634 -3.776 1.00 0.00 O ATOM 0 H GLU A 31 -6.611 3.446 -8.111 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.602 3.985 -5.461 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.696 4.993 -6.214 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.381 3.415 -6.549 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.269 2.832 -4.152 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.519 4.375 -3.795 1.00 0.00 H new ATOM 487 N ILE A 32 -5.337 1.696 -4.600 1.00 0.00 N ATOM 488 CA ILE A 32 -5.254 0.410 -3.945 1.00 0.00 C ATOM 489 C ILE A 32 -6.052 0.463 -2.652 1.00 0.00 C ATOM 490 O ILE A 32 -5.591 1.005 -1.643 1.00 0.00 O ATOM 491 CB ILE A 32 -3.793 0.018 -3.635 1.00 0.00 C ATOM 492 CG1 ILE A 32 -2.932 0.127 -4.898 1.00 0.00 C ATOM 493 CG2 ILE A 32 -3.736 -1.396 -3.071 1.00 0.00 C ATOM 494 CD1 ILE A 32 -1.468 -0.197 -4.676 1.00 0.00 C ATOM 0 H ILE A 32 -4.633 2.370 -4.299 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.663 -0.344 -4.617 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.397 0.706 -2.888 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -3.331 -0.546 -5.657 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.013 1.139 -5.295 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.701 -1.661 -2.857 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.321 -1.445 -2.153 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.146 -2.095 -3.800 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.927 -0.097 -5.617 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.050 0.492 -3.942 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.373 -1.219 -4.310 1.00 0.00 H new ATOM 506 N ARG A 33 -7.266 -0.058 -2.695 1.00 0.00 N ATOM 507 CA ARG A 33 -8.110 -0.090 -1.517 1.00 0.00 C ATOM 508 C ARG A 33 -7.674 -1.222 -0.614 1.00 0.00 C ATOM 509 O ARG A 33 -7.545 -2.365 -1.053 1.00 0.00 O ATOM 510 CB ARG A 33 -9.578 -0.246 -1.894 1.00 0.00 C ATOM 511 CG ARG A 33 -10.090 0.867 -2.784 1.00 0.00 C ATOM 512 CD ARG A 33 -11.573 0.714 -3.058 1.00 0.00 C ATOM 513 NE ARG A 33 -12.380 0.925 -1.857 1.00 0.00 N ATOM 514 CZ ARG A 33 -13.175 1.976 -1.671 1.00 0.00 C ATOM 515 NH1 ARG A 33 -13.269 2.916 -2.605 1.00 0.00 N ATOM 516 NH2 ARG A 33 -13.871 2.087 -0.551 1.00 0.00 N ATOM 0 H ARG A 33 -7.687 -0.463 -3.531 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.004 0.857 -0.988 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.716 -1.200 -2.402 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.178 -0.279 -0.985 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -9.903 1.830 -2.309 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.542 0.864 -3.726 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -11.874 1.426 -3.826 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.767 -0.283 -3.454 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.331 0.224 -1.117 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -12.731 2.833 -3.468 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -13.879 3.720 -2.460 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.798 1.368 0.168 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -14.481 2.892 -0.407 1.00 0.00 H new ATOM 530 N CYS A 34 -7.437 -0.895 0.636 1.00 0.00 N ATOM 531 CA CYS A 34 -6.910 -1.862 1.580 1.00 0.00 C ATOM 532 C CYS A 34 -7.808 -1.956 2.805 1.00 0.00 C ATOM 533 O CYS A 34 -8.127 -0.945 3.437 1.00 0.00 O ATOM 534 CB CYS A 34 -5.490 -1.474 1.992 1.00 0.00 C ATOM 535 SG CYS A 34 -4.366 -1.208 0.597 1.00 0.00 S ATOM 0 H CYS A 34 -7.600 0.033 1.026 1.00 0.00 H new ATOM 0 HA CYS A 34 -6.882 -2.839 1.098 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -5.532 -0.564 2.590 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -5.081 -2.257 2.631 1.00 0.00 H new ATOM 0 HG CYS A 34 -4.893 -0.352 -0.227 1.00 0.00 H new ATOM 541 N GLN A 35 -8.220 -3.168 3.128 1.00 0.00 N ATOM 542 CA GLN A 35 -9.080 -3.408 4.270 1.00 0.00 C ATOM 543 C GLN A 35 -8.395 -4.323 5.270 1.00 0.00 C ATOM 544 O GLN A 35 -8.141 -5.494 4.983 1.00 0.00 O ATOM 545 CB GLN A 35 -10.398 -4.033 3.808 1.00 0.00 C ATOM 546 CG GLN A 35 -11.239 -3.109 2.943 1.00 0.00 C ATOM 547 CD GLN A 35 -12.121 -2.174 3.753 1.00 0.00 C ATOM 548 OE1 GLN A 35 -11.688 -1.823 4.953 1.00 0.00 O flip ATOM 549 NE2 GLN A 35 -13.193 -1.774 3.298 1.00 0.00 N flip ATOM 0 H GLN A 35 -7.969 -4.009 2.609 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.286 -2.455 4.756 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.182 -4.944 3.249 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -10.978 -4.326 4.683 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -10.581 -2.518 2.307 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -11.865 -3.709 2.283 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -13.493 -2.067 2.368 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -13.781 -1.150 3.851 1.00 0.00 H new ATOM 558 N LEU A 36 -8.083 -3.785 6.434 1.00 0.00 N ATOM 559 CA LEU A 36 -7.539 -4.592 7.510 1.00 0.00 C ATOM 560 C LEU A 36 -8.690 -5.146 8.330 1.00 0.00 C ATOM 561 O LEU A 36 -9.329 -4.428 9.095 1.00 0.00 O ATOM 562 CB LEU A 36 -6.576 -3.774 8.383 1.00 0.00 C ATOM 563 CG LEU A 36 -5.861 -4.561 9.491 1.00 0.00 C ATOM 564 CD1 LEU A 36 -4.464 -4.010 9.714 1.00 0.00 C ATOM 565 CD2 LEU A 36 -6.652 -4.511 10.790 1.00 0.00 C ATOM 0 H LEU A 36 -8.196 -2.796 6.658 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.962 -5.417 7.092 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.823 -3.322 7.738 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.133 -2.958 8.842 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.786 -5.600 9.172 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.970 -4.578 10.502 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.889 -4.093 8.792 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.529 -2.962 10.008 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.125 -5.076 11.559 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.760 -3.475 11.111 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.639 -4.947 10.632 1.00 0.00 H new ATOM 577 N HIS A 37 -8.965 -6.420 8.147 1.00 0.00 N ATOM 578 CA HIS A 37 -10.126 -7.032 8.764 1.00 0.00 C ATOM 579 C HIS A 37 -9.775 -7.584 10.139 1.00 0.00 C ATOM 580 O HIS A 37 -9.177 -8.656 10.258 1.00 0.00 O ATOM 581 CB HIS A 37 -10.678 -8.138 7.860 1.00 0.00 C ATOM 582 CG HIS A 37 -12.050 -8.604 8.240 1.00 0.00 C ATOM 583 ND1 HIS A 37 -13.205 -8.008 7.778 1.00 0.00 N ATOM 584 CD2 HIS A 37 -12.449 -9.624 9.035 1.00 0.00 C ATOM 585 CE1 HIS A 37 -14.250 -8.638 8.276 1.00 0.00 C ATOM 586 NE2 HIS A 37 -13.819 -9.623 9.039 1.00 0.00 N ATOM 0 H HIS A 37 -8.403 -7.052 7.577 1.00 0.00 H new ATOM 0 HA HIS A 37 -10.896 -6.271 8.893 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -10.699 -7.777 6.832 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -9.996 -8.988 7.885 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -11.807 -10.311 9.567 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -15.284 -8.389 8.090 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -14.410 -10.279 9.550 1.00 0.00 H new ATOM 595 N ARG A 38 -10.133 -6.838 11.172 1.00 0.00 N ATOM 596 CA ARG A 38 -9.882 -7.258 12.543 1.00 0.00 C ATOM 597 C ARG A 38 -11.192 -7.346 13.313 1.00 0.00 C ATOM 598 O ARG A 38 -12.247 -6.977 12.798 1.00 0.00 O ATOM 599 CB ARG A 38 -8.910 -6.307 13.244 1.00 0.00 C ATOM 600 CG ARG A 38 -9.482 -4.929 13.530 1.00 0.00 C ATOM 601 CD ARG A 38 -8.455 -4.037 14.203 1.00 0.00 C ATOM 602 NE ARG A 38 -7.941 -4.620 15.444 1.00 0.00 N ATOM 603 CZ ARG A 38 -6.653 -4.887 15.660 1.00 0.00 C ATOM 604 NH1 ARG A 38 -5.751 -4.624 14.718 1.00 0.00 N ATOM 605 NH2 ARG A 38 -6.272 -5.408 16.820 1.00 0.00 N ATOM 0 H ARG A 38 -10.600 -5.935 11.087 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.421 -8.245 12.517 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.593 -6.758 14.184 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.019 -6.197 12.626 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.812 -4.469 12.599 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.360 -5.022 14.168 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -7.627 -3.859 13.517 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -8.904 -3.068 14.418 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.607 -4.834 16.186 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.045 -4.218 13.830 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -4.766 -4.829 14.884 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.964 -5.603 17.543 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -5.287 -5.613 16.988 1.00 0.00 H new ATOM 619 N ASP A 39 -11.121 -7.837 14.540 1.00 0.00 N ATOM 620 CA ASP A 39 -12.316 -8.054 15.347 1.00 0.00 C ATOM 621 C ASP A 39 -12.611 -6.835 16.230 1.00 0.00 C ATOM 622 O ASP A 39 -12.932 -6.959 17.413 1.00 0.00 O ATOM 623 CB ASP A 39 -12.139 -9.321 16.190 1.00 0.00 C ATOM 624 CG ASP A 39 -13.380 -9.689 16.979 1.00 0.00 C ATOM 625 OD1 ASP A 39 -14.480 -9.720 16.393 1.00 0.00 O ATOM 626 OD2 ASP A 39 -13.252 -9.962 18.194 1.00 0.00 O ATOM 0 H ASP A 39 -10.248 -8.094 15.001 1.00 0.00 H new ATOM 0 HA ASP A 39 -13.173 -8.188 14.687 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -11.872 -10.151 15.536 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -11.307 -9.178 16.879 1.00 0.00 H new ATOM 631 N GLY A 40 -12.492 -5.651 15.637 1.00 0.00 N ATOM 632 CA GLY A 40 -12.850 -4.418 16.321 1.00 0.00 C ATOM 633 C GLY A 40 -11.836 -3.971 17.363 1.00 0.00 C ATOM 634 O GLY A 40 -11.284 -2.878 17.268 1.00 0.00 O ATOM 0 H GLY A 40 -12.150 -5.522 14.685 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -12.969 -3.626 15.582 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -13.818 -4.551 16.804 1.00 0.00 H new ATOM 638 N ARG A 41 -11.593 -4.830 18.342 1.00 0.00 N ATOM 639 CA ARG A 41 -10.791 -4.491 19.513 1.00 0.00 C ATOM 640 C ARG A 41 -9.345 -4.154 19.153 1.00 0.00 C ATOM 641 O ARG A 41 -8.623 -4.973 18.574 1.00 0.00 O ATOM 642 CB ARG A 41 -10.823 -5.654 20.509 1.00 0.00 C ATOM 643 CG ARG A 41 -10.061 -5.389 21.798 1.00 0.00 C ATOM 644 CD ARG A 41 -10.233 -6.532 22.786 1.00 0.00 C ATOM 645 NE ARG A 41 -9.492 -6.307 24.022 1.00 0.00 N ATOM 646 CZ ARG A 41 -10.042 -5.884 25.157 1.00 0.00 C ATOM 647 NH1 ARG A 41 -11.345 -5.637 25.221 1.00 0.00 N ATOM 648 NH2 ARG A 41 -9.287 -5.723 26.233 1.00 0.00 N ATOM 0 H ARG A 41 -11.947 -5.786 18.348 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.226 -3.598 19.962 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.861 -5.881 20.753 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -10.407 -6.540 20.030 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -9.002 -5.253 21.576 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -10.414 -4.461 22.247 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -11.291 -6.655 23.016 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -9.896 -7.461 22.326 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.488 -6.485 24.016 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -11.931 -5.771 24.397 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.760 -5.313 26.094 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.288 -5.923 26.189 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.705 -5.399 27.105 1.00 0.00 H new ATOM 662 N PHE A 42 -8.938 -2.936 19.488 1.00 0.00 N ATOM 663 CA PHE A 42 -7.540 -2.538 19.409 1.00 0.00 C ATOM 664 C PHE A 42 -7.255 -1.463 20.460 1.00 0.00 C ATOM 665 O PHE A 42 -7.790 -0.358 20.397 1.00 0.00 O ATOM 666 CB PHE A 42 -7.159 -2.061 17.991 1.00 0.00 C ATOM 667 CG PHE A 42 -7.821 -0.789 17.530 1.00 0.00 C ATOM 668 CD1 PHE A 42 -9.136 -0.790 17.099 1.00 0.00 C ATOM 669 CD2 PHE A 42 -7.117 0.404 17.517 1.00 0.00 C ATOM 670 CE1 PHE A 42 -9.739 0.375 16.667 1.00 0.00 C ATOM 671 CE2 PHE A 42 -7.714 1.572 17.083 1.00 0.00 C ATOM 672 CZ PHE A 42 -9.027 1.556 16.659 1.00 0.00 C ATOM 0 H PHE A 42 -9.563 -2.202 19.820 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.918 -3.408 19.618 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -6.079 -1.921 17.953 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.403 -2.853 17.283 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -9.697 -1.713 17.100 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -6.090 0.421 17.850 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -10.767 0.361 16.336 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -7.154 2.496 17.076 1.00 0.00 H new ATOM 0 HZ PHE A 42 -9.497 2.468 16.321 1.00 0.00 H new ATOM 682 N GLU A 43 -6.450 -1.814 21.455 1.00 0.00 N ATOM 683 CA GLU A 43 -6.123 -0.887 22.537 1.00 0.00 C ATOM 684 C GLU A 43 -4.756 -0.264 22.299 1.00 0.00 C ATOM 685 O GLU A 43 -4.649 0.832 21.759 1.00 0.00 O ATOM 686 CB GLU A 43 -6.133 -1.609 23.884 1.00 0.00 C ATOM 687 CG GLU A 43 -7.439 -2.315 24.197 1.00 0.00 C ATOM 688 CD GLU A 43 -7.402 -3.003 25.544 1.00 0.00 C ATOM 689 OE1 GLU A 43 -6.866 -4.133 25.623 1.00 0.00 O ATOM 690 OE2 GLU A 43 -7.893 -2.416 26.527 1.00 0.00 O ATOM 0 H GLU A 43 -6.011 -2.731 21.537 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.877 -0.100 22.554 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -5.324 -2.340 23.899 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.924 -0.887 24.673 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.255 -1.592 24.181 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.649 -3.050 23.420 1.00 0.00 H new ATOM 697 N GLU A 44 -3.711 -0.991 22.681 1.00 0.00 N ATOM 698 CA GLU A 44 -2.342 -0.576 22.412 1.00 0.00 C ATOM 699 C GLU A 44 -1.926 -1.065 21.031 1.00 0.00 C ATOM 700 O GLU A 44 -0.773 -0.927 20.620 1.00 0.00 O ATOM 701 CB GLU A 44 -1.399 -1.131 23.482 1.00 0.00 C ATOM 702 CG GLU A 44 -1.486 -2.638 23.652 1.00 0.00 C ATOM 703 CD GLU A 44 -0.538 -3.155 24.710 1.00 0.00 C ATOM 704 OE1 GLU A 44 -0.900 -3.125 25.904 1.00 0.00 O ATOM 705 OE2 GLU A 44 0.575 -3.591 24.353 1.00 0.00 O ATOM 0 H GLU A 44 -3.789 -1.876 23.181 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.285 0.512 22.438 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.374 -0.862 23.225 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.625 -0.653 24.435 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.507 -2.912 23.918 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.263 -3.122 22.701 1.00 0.00 H new ATOM 712 N THR A 45 -2.889 -1.647 20.331 1.00 0.00 N ATOM 713 CA THR A 45 -2.673 -2.165 19.000 1.00 0.00 C ATOM 714 C THR A 45 -2.525 -1.024 18.003 1.00 0.00 C ATOM 715 O THR A 45 -3.445 -0.229 17.804 1.00 0.00 O ATOM 716 CB THR A 45 -3.832 -3.080 18.578 1.00 0.00 C ATOM 717 OG1 THR A 45 -4.054 -4.076 19.589 1.00 0.00 O ATOM 718 CG2 THR A 45 -3.531 -3.757 17.252 1.00 0.00 C ATOM 0 H THR A 45 -3.841 -1.770 20.676 1.00 0.00 H new ATOM 0 HA THR A 45 -1.753 -2.749 19.009 1.00 0.00 H new ATOM 0 HB THR A 45 -4.728 -2.470 18.459 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.795 -4.657 19.318 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.366 -4.400 16.974 1.00 0.00 H new ATOM 0 HG22 THR A 45 -3.384 -3.000 16.482 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.627 -4.358 17.347 1.00 0.00 H new ATOM 726 N LYS A 46 -1.360 -0.948 17.389 1.00 0.00 N ATOM 727 CA LYS A 46 -1.052 0.130 16.470 1.00 0.00 C ATOM 728 C LYS A 46 -0.781 -0.430 15.083 1.00 0.00 C ATOM 729 O LYS A 46 -0.188 -1.499 14.942 1.00 0.00 O ATOM 730 CB LYS A 46 0.157 0.920 16.975 1.00 0.00 C ATOM 731 CG LYS A 46 -0.060 1.548 18.345 1.00 0.00 C ATOM 732 CD LYS A 46 1.215 2.170 18.891 1.00 0.00 C ATOM 733 CE LYS A 46 1.688 3.336 18.037 1.00 0.00 C ATOM 734 NZ LYS A 46 0.704 4.451 18.016 1.00 0.00 N ATOM 0 H LYS A 46 -0.607 -1.625 17.511 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.907 0.804 16.412 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.021 0.258 17.020 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.394 1.705 16.257 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.836 2.311 18.276 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.420 0.789 19.040 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.043 2.513 19.911 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.998 1.413 18.937 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.641 3.702 18.420 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.865 2.990 17.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.139 5.290 17.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.129 4.168 17.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.413 4.675 18.989 1.00 0.00 H new ATOM 748 N TYR A 47 -1.218 0.294 14.065 1.00 0.00 N ATOM 749 CA TYR A 47 -1.062 -0.155 12.691 1.00 0.00 C ATOM 750 C TYR A 47 0.165 0.494 12.071 1.00 0.00 C ATOM 751 O TYR A 47 0.285 1.720 12.061 1.00 0.00 O ATOM 752 CB TYR A 47 -2.295 0.212 11.858 1.00 0.00 C ATOM 753 CG TYR A 47 -3.616 -0.185 12.474 1.00 0.00 C ATOM 754 CD1 TYR A 47 -4.034 -1.508 12.482 1.00 0.00 C ATOM 755 CD2 TYR A 47 -4.452 0.771 13.035 1.00 0.00 C ATOM 756 CE1 TYR A 47 -5.246 -1.867 13.038 1.00 0.00 C ATOM 757 CE2 TYR A 47 -5.666 0.420 13.592 1.00 0.00 C ATOM 758 CZ TYR A 47 -6.059 -0.900 13.589 1.00 0.00 C ATOM 759 OH TYR A 47 -7.265 -1.258 14.141 1.00 0.00 O ATOM 0 H TYR A 47 -1.684 1.196 14.165 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.946 -1.239 12.698 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.297 1.289 11.692 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.209 -0.261 10.880 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -3.402 -2.268 12.047 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -4.148 1.807 13.036 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -5.556 -2.902 13.041 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.303 1.176 14.027 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.257 -1.062 15.101 1.00 0.00 H new ATOM 769 N PHE A 48 1.071 -0.320 11.562 1.00 0.00 N ATOM 770 CA PHE A 48 2.265 0.189 10.909 1.00 0.00 C ATOM 771 C PHE A 48 2.382 -0.374 9.504 1.00 0.00 C ATOM 772 O PHE A 48 1.942 -1.494 9.236 1.00 0.00 O ATOM 773 CB PHE A 48 3.520 -0.141 11.719 1.00 0.00 C ATOM 774 CG PHE A 48 3.607 0.598 13.023 1.00 0.00 C ATOM 775 CD1 PHE A 48 4.017 1.921 13.055 1.00 0.00 C ATOM 776 CD2 PHE A 48 3.283 -0.030 14.215 1.00 0.00 C ATOM 777 CE1 PHE A 48 4.102 2.606 14.252 1.00 0.00 C ATOM 778 CE2 PHE A 48 3.366 0.650 15.414 1.00 0.00 C ATOM 779 CZ PHE A 48 3.776 1.969 15.432 1.00 0.00 C ATOM 0 H PHE A 48 1.004 -1.337 11.588 1.00 0.00 H new ATOM 0 HA PHE A 48 2.177 1.274 10.847 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.543 -1.213 11.916 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.400 0.092 11.120 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.273 2.423 12.134 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.962 -1.061 14.206 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.423 3.637 14.264 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.111 0.151 16.337 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.841 2.502 16.369 1.00 0.00 H new ATOM 789 N ILE A 49 2.954 0.411 8.611 1.00 0.00 N ATOM 790 CA ILE A 49 3.100 0.008 7.226 1.00 0.00 C ATOM 791 C ILE A 49 4.410 0.547 6.654 1.00 0.00 C ATOM 792 O ILE A 49 4.861 1.635 7.023 1.00 0.00 O ATOM 793 CB ILE A 49 1.902 0.511 6.386 1.00 0.00 C ATOM 794 CG1 ILE A 49 1.931 -0.086 4.978 1.00 0.00 C ATOM 795 CG2 ILE A 49 1.896 2.033 6.323 1.00 0.00 C ATOM 796 CD1 ILE A 49 0.728 0.288 4.142 1.00 0.00 C ATOM 0 H ILE A 49 3.327 1.337 8.822 1.00 0.00 H new ATOM 0 HA ILE A 49 3.120 -1.081 7.183 1.00 0.00 H new ATOM 0 HB ILE A 49 0.984 0.181 6.873 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.836 0.247 4.469 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.989 -1.172 5.053 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.047 2.369 5.728 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.816 2.439 7.332 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.821 2.382 5.864 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.814 -0.169 3.156 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.179 -0.069 4.630 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.681 1.372 4.037 1.00 0.00 H new ATOM 808 N ARG A 50 5.038 -0.228 5.787 1.00 0.00 N ATOM 809 CA ARG A 50 6.232 0.224 5.091 1.00 0.00 C ATOM 810 C ARG A 50 6.354 -0.502 3.762 1.00 0.00 C ATOM 811 O ARG A 50 5.663 -1.494 3.527 1.00 0.00 O ATOM 812 CB ARG A 50 7.488 0.018 5.945 1.00 0.00 C ATOM 813 CG ARG A 50 7.835 -1.434 6.218 1.00 0.00 C ATOM 814 CD ARG A 50 9.022 -1.533 7.160 1.00 0.00 C ATOM 815 NE ARG A 50 9.456 -2.911 7.365 1.00 0.00 N ATOM 816 CZ ARG A 50 9.592 -3.481 8.558 1.00 0.00 C ATOM 817 NH1 ARG A 50 9.271 -2.819 9.661 1.00 0.00 N ATOM 818 NH2 ARG A 50 10.041 -4.722 8.641 1.00 0.00 N ATOM 0 H ARG A 50 4.741 -1.174 5.547 1.00 0.00 H new ATOM 0 HA ARG A 50 6.141 1.294 4.904 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.333 0.492 5.445 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.352 0.531 6.897 1.00 0.00 H new ATOM 0 HG2 ARG A 50 6.975 -1.943 6.653 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.065 -1.941 5.281 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.851 -0.950 6.758 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.758 -1.091 8.121 1.00 0.00 H new ATOM 0 HE ARG A 50 9.669 -3.472 6.540 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.917 -1.865 9.598 1.00 0.00 H new ATOM 0 HH12 ARG A 50 9.378 -3.264 10.572 1.00 0.00 H new ATOM 0 HH21 ARG A 50 10.280 -5.235 7.793 1.00 0.00 H new ATOM 0 HH22 ARG A 50 10.148 -5.166 9.553 1.00 0.00 H new ATOM 832 N TYR A 51 7.218 -0.006 2.891 1.00 0.00 N ATOM 833 CA TYR A 51 7.317 -0.535 1.537 1.00 0.00 C ATOM 834 C TYR A 51 8.766 -0.798 1.166 1.00 0.00 C ATOM 835 O TYR A 51 9.677 -0.324 1.838 1.00 0.00 O ATOM 836 CB TYR A 51 6.708 0.459 0.543 1.00 0.00 C ATOM 837 CG TYR A 51 5.394 1.040 1.008 1.00 0.00 C ATOM 838 CD1 TYR A 51 4.215 0.323 0.887 1.00 0.00 C ATOM 839 CD2 TYR A 51 5.341 2.302 1.589 1.00 0.00 C ATOM 840 CE1 TYR A 51 3.015 0.848 1.326 1.00 0.00 C ATOM 841 CE2 TYR A 51 4.148 2.829 2.032 1.00 0.00 C ATOM 842 CZ TYR A 51 2.990 2.101 1.900 1.00 0.00 C ATOM 843 OH TYR A 51 1.799 2.625 2.340 1.00 0.00 O ATOM 0 H TYR A 51 7.860 0.760 3.095 1.00 0.00 H new ATOM 0 HA TYR A 51 6.769 -1.476 1.496 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.416 1.270 0.372 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.558 -0.041 -0.414 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.234 -0.661 0.443 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.249 2.878 1.695 1.00 0.00 H new ATOM 0 HE1 TYR A 51 2.102 0.280 1.220 1.00 0.00 H new ATOM 0 HE2 TYR A 51 4.123 3.811 2.481 1.00 0.00 H new ATOM 0 HH TYR A 51 1.941 3.093 3.189 1.00 0.00 H new ATOM 853 N PHE A 52 8.972 -1.558 0.105 1.00 0.00 N ATOM 854 CA PHE A 52 10.302 -1.785 -0.433 1.00 0.00 C ATOM 855 C PHE A 52 10.268 -1.667 -1.952 1.00 0.00 C ATOM 856 O PHE A 52 9.306 -2.097 -2.594 1.00 0.00 O ATOM 857 CB PHE A 52 10.828 -3.163 -0.011 1.00 0.00 C ATOM 858 CG PHE A 52 12.232 -3.439 -0.470 1.00 0.00 C ATOM 859 CD1 PHE A 52 13.303 -2.759 0.090 1.00 0.00 C ATOM 860 CD2 PHE A 52 12.480 -4.369 -1.466 1.00 0.00 C ATOM 861 CE1 PHE A 52 14.594 -3.004 -0.336 1.00 0.00 C ATOM 862 CE2 PHE A 52 13.770 -4.617 -1.896 1.00 0.00 C ATOM 863 CZ PHE A 52 14.827 -3.933 -1.330 1.00 0.00 C ATOM 0 H PHE A 52 8.227 -2.033 -0.405 1.00 0.00 H new ATOM 0 HA PHE A 52 10.979 -1.029 -0.034 1.00 0.00 H new ATOM 0 HB2 PHE A 52 10.788 -3.240 1.076 1.00 0.00 H new ATOM 0 HB3 PHE A 52 10.167 -3.932 -0.410 1.00 0.00 H new ATOM 0 HD1 PHE A 52 13.126 -2.030 0.867 1.00 0.00 H new ATOM 0 HD2 PHE A 52 11.656 -4.906 -1.912 1.00 0.00 H new ATOM 0 HE1 PHE A 52 15.420 -2.469 0.108 1.00 0.00 H new ATOM 0 HE2 PHE A 52 13.951 -5.345 -2.673 1.00 0.00 H new ATOM 0 HZ PHE A 52 15.836 -4.125 -1.665 1.00 0.00 H new ATOM 873 N GLN A 53 11.301 -1.063 -2.520 1.00 0.00 N ATOM 874 CA GLN A 53 11.390 -0.887 -3.961 1.00 0.00 C ATOM 875 C GLN A 53 12.588 -1.643 -4.519 1.00 0.00 C ATOM 876 O GLN A 53 13.712 -1.145 -4.479 1.00 0.00 O ATOM 877 CB GLN A 53 11.510 0.602 -4.311 1.00 0.00 C ATOM 878 CG GLN A 53 10.259 1.409 -4.004 1.00 0.00 C ATOM 879 CD GLN A 53 9.104 1.076 -4.930 1.00 0.00 C ATOM 880 OE1 GLN A 53 9.305 0.704 -6.084 1.00 0.00 O ATOM 881 NE2 GLN A 53 7.885 1.205 -4.429 1.00 0.00 N ATOM 0 H GLN A 53 12.093 -0.685 -2.001 1.00 0.00 H new ATOM 0 HA GLN A 53 10.480 -1.286 -4.409 1.00 0.00 H new ATOM 0 HB2 GLN A 53 12.349 1.028 -3.761 1.00 0.00 H new ATOM 0 HB3 GLN A 53 11.742 0.698 -5.372 1.00 0.00 H new ATOM 0 HG2 GLN A 53 9.957 1.225 -2.973 1.00 0.00 H new ATOM 0 HG3 GLN A 53 10.489 2.472 -4.084 1.00 0.00 H new ATOM 0 HE21 GLN A 53 7.760 1.517 -3.466 1.00 0.00 H new ATOM 0 HE22 GLN A 53 7.071 0.993 -5.006 1.00 0.00 H new ATOM 890 N PRO A 54 12.379 -2.878 -4.994 1.00 0.00 N ATOM 891 CA PRO A 54 13.436 -3.645 -5.641 1.00 0.00 C ATOM 892 C PRO A 54 13.696 -3.158 -7.064 1.00 0.00 C ATOM 893 O PRO A 54 14.843 -2.929 -7.452 1.00 0.00 O ATOM 894 CB PRO A 54 12.891 -5.074 -5.641 1.00 0.00 C ATOM 895 CG PRO A 54 11.405 -4.931 -5.607 1.00 0.00 C ATOM 896 CD PRO A 54 11.110 -3.625 -4.914 1.00 0.00 C ATOM 0 HA PRO A 54 14.393 -3.551 -5.128 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.213 -5.617 -6.529 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.252 -5.632 -4.777 1.00 0.00 H new ATOM 0 HG2 PRO A 54 10.993 -4.935 -6.616 1.00 0.00 H new ATOM 0 HG3 PRO A 54 10.948 -5.764 -5.073 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.300 -3.087 -5.406 1.00 0.00 H new ATOM 0 HD3 PRO A 54 10.805 -3.783 -3.879 1.00 0.00 H new ATOM 904 N ASP A 55 12.620 -2.973 -7.819 1.00 0.00 N ATOM 905 CA ASP A 55 12.699 -2.500 -9.197 1.00 0.00 C ATOM 906 C ASP A 55 11.480 -1.650 -9.513 1.00 0.00 C ATOM 907 O ASP A 55 10.361 -1.997 -9.129 1.00 0.00 O ATOM 908 CB ASP A 55 12.769 -3.673 -10.189 1.00 0.00 C ATOM 909 CG ASP A 55 14.059 -4.465 -10.100 1.00 0.00 C ATOM 910 OD1 ASP A 55 15.075 -4.028 -10.677 1.00 0.00 O ATOM 911 OD2 ASP A 55 14.056 -5.541 -9.463 1.00 0.00 O ATOM 0 H ASP A 55 11.669 -3.146 -7.494 1.00 0.00 H new ATOM 0 HA ASP A 55 13.609 -1.908 -9.300 1.00 0.00 H new ATOM 0 HB2 ASP A 55 11.928 -4.342 -10.008 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.658 -3.288 -11.203 1.00 0.00 H new ATOM 916 N GLY A 56 11.690 -0.542 -10.202 1.00 0.00 N ATOM 917 CA GLY A 56 10.588 0.330 -10.556 1.00 0.00 C ATOM 918 C GLY A 56 10.529 1.563 -9.681 1.00 0.00 C ATOM 919 O GLY A 56 11.378 1.754 -8.804 1.00 0.00 O ATOM 0 H GLY A 56 12.605 -0.228 -10.524 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.686 0.631 -11.599 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.650 -0.219 -10.470 1.00 0.00 H new ATOM 923 N ALA A 57 9.540 2.409 -9.927 1.00 0.00 N ATOM 924 CA ALA A 57 9.354 3.623 -9.150 1.00 0.00 C ATOM 925 C ALA A 57 7.890 4.036 -9.146 1.00 0.00 C ATOM 926 O ALA A 57 7.230 4.041 -10.188 1.00 0.00 O ATOM 927 CB ALA A 57 10.215 4.746 -9.708 1.00 0.00 C ATOM 0 H ALA A 57 8.849 2.274 -10.665 1.00 0.00 H new ATOM 0 HA ALA A 57 9.661 3.424 -8.123 1.00 0.00 H new ATOM 0 HB1 ALA A 57 10.065 5.648 -9.116 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.265 4.455 -9.666 1.00 0.00 H new ATOM 0 HB3 ALA A 57 9.934 4.940 -10.743 1.00 0.00 H new ATOM 933 N GLY A 58 7.381 4.378 -7.976 1.00 0.00 N ATOM 934 CA GLY A 58 6.008 4.807 -7.871 1.00 0.00 C ATOM 935 C GLY A 58 5.768 5.621 -6.625 1.00 0.00 C ATOM 936 O GLY A 58 6.217 5.253 -5.540 1.00 0.00 O ATOM 0 H GLY A 58 7.896 4.366 -7.096 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.744 5.399 -8.748 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.354 3.935 -7.867 1.00 0.00 H new ATOM 940 N THR A 59 5.077 6.735 -6.779 1.00 0.00 N ATOM 941 CA THR A 59 4.737 7.574 -5.652 1.00 0.00 C ATOM 942 C THR A 59 3.426 7.102 -5.041 1.00 0.00 C ATOM 943 O THR A 59 2.364 7.234 -5.646 1.00 0.00 O ATOM 944 CB THR A 59 4.605 9.047 -6.085 1.00 0.00 C ATOM 945 OG1 THR A 59 5.764 9.437 -6.834 1.00 0.00 O ATOM 946 CG2 THR A 59 4.447 9.962 -4.877 1.00 0.00 C ATOM 0 H THR A 59 4.740 7.078 -7.679 1.00 0.00 H new ATOM 0 HA THR A 59 5.535 7.501 -4.913 1.00 0.00 H new ATOM 0 HB THR A 59 3.715 9.141 -6.707 1.00 0.00 H new ATOM 0 HG1 THR A 59 5.676 10.373 -7.109 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.356 10.995 -5.212 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.552 9.681 -4.322 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.320 9.866 -4.231 1.00 0.00 H new ATOM 954 N LEU A 60 3.501 6.547 -3.850 1.00 0.00 N ATOM 955 CA LEU A 60 2.318 6.032 -3.189 1.00 0.00 C ATOM 956 C LEU A 60 1.832 7.027 -2.149 1.00 0.00 C ATOM 957 O LEU A 60 2.565 7.382 -1.229 1.00 0.00 O ATOM 958 CB LEU A 60 2.627 4.677 -2.549 1.00 0.00 C ATOM 959 CG LEU A 60 1.429 3.954 -1.936 1.00 0.00 C ATOM 960 CD1 LEU A 60 0.341 3.744 -2.975 1.00 0.00 C ATOM 961 CD2 LEU A 60 1.865 2.621 -1.354 1.00 0.00 C ATOM 0 H LEU A 60 4.366 6.440 -3.320 1.00 0.00 H new ATOM 0 HA LEU A 60 1.525 5.890 -3.924 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.072 4.030 -3.305 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.378 4.824 -1.772 1.00 0.00 H new ATOM 0 HG LEU A 60 1.024 4.573 -1.135 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.503 3.228 -2.518 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.012 4.710 -3.357 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.733 3.143 -3.796 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.003 2.114 -0.920 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.291 2.001 -2.143 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.615 2.789 -0.581 1.00 0.00 H new ATOM 973 N LYS A 61 0.611 7.506 -2.316 1.00 0.00 N ATOM 974 CA LYS A 61 0.044 8.459 -1.379 1.00 0.00 C ATOM 975 C LYS A 61 -1.063 7.802 -0.571 1.00 0.00 C ATOM 976 O LYS A 61 -1.729 6.887 -1.046 1.00 0.00 O ATOM 977 CB LYS A 61 -0.516 9.686 -2.106 1.00 0.00 C ATOM 978 CG LYS A 61 0.433 10.303 -3.120 1.00 0.00 C ATOM 979 CD LYS A 61 -0.091 11.646 -3.606 1.00 0.00 C ATOM 980 CE LYS A 61 0.674 12.158 -4.816 1.00 0.00 C ATOM 981 NZ LYS A 61 0.271 11.456 -6.066 1.00 0.00 N ATOM 0 H LYS A 61 -0.004 7.252 -3.089 1.00 0.00 H new ATOM 0 HA LYS A 61 0.842 8.786 -0.712 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.437 9.402 -2.615 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.780 10.442 -1.367 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.417 10.433 -2.671 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.556 9.628 -3.967 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.147 11.552 -3.859 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.021 12.375 -2.799 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.501 13.228 -4.929 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.743 12.024 -4.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.643 11.972 -6.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.655 10.490 -6.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.767 11.416 -6.122 1.00 0.00 H new ATOM 995 N MET A 62 -1.240 8.253 0.655 1.00 0.00 N ATOM 996 CA MET A 62 -2.351 7.801 1.478 1.00 0.00 C ATOM 997 C MET A 62 -3.597 8.605 1.110 1.00 0.00 C ATOM 998 O MET A 62 -3.491 9.610 0.409 1.00 0.00 O ATOM 999 CB MET A 62 -2.007 7.982 2.963 1.00 0.00 C ATOM 1000 CG MET A 62 -2.982 7.307 3.919 1.00 0.00 C ATOM 1001 SD MET A 62 -2.583 7.615 5.652 1.00 0.00 S ATOM 1002 CE MET A 62 -0.929 6.933 5.758 1.00 0.00 C ATOM 0 H MET A 62 -0.629 8.934 1.107 1.00 0.00 H new ATOM 0 HA MET A 62 -2.542 6.743 1.300 1.00 0.00 H new ATOM 0 HB2 MET A 62 -1.007 7.587 3.143 1.00 0.00 H new ATOM 0 HB3 MET A 62 -1.974 9.048 3.189 1.00 0.00 H new ATOM 0 HG2 MET A 62 -3.991 7.663 3.714 1.00 0.00 H new ATOM 0 HG3 MET A 62 -2.980 6.233 3.735 1.00 0.00 H new ATOM 0 HE1 MET A 62 -0.688 6.723 6.800 1.00 0.00 H new ATOM 0 HE2 MET A 62 -0.878 6.010 5.181 1.00 0.00 H new ATOM 0 HE3 MET A 62 -0.213 7.651 5.358 1.00 0.00 H new ATOM 1012 N SER A 63 -4.765 8.159 1.556 1.00 0.00 N ATOM 1013 CA SER A 63 -6.014 8.884 1.329 1.00 0.00 C ATOM 1014 C SER A 63 -5.926 10.353 1.767 1.00 0.00 C ATOM 1015 O SER A 63 -6.560 11.225 1.170 1.00 0.00 O ATOM 1016 CB SER A 63 -7.154 8.171 2.060 1.00 0.00 C ATOM 1017 OG SER A 63 -6.737 7.729 3.344 1.00 0.00 O ATOM 0 H SER A 63 -4.876 7.292 2.081 1.00 0.00 H new ATOM 0 HA SER A 63 -6.209 8.890 0.257 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.004 8.846 2.162 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.492 7.319 1.470 1.00 0.00 H new ATOM 0 HG SER A 63 -7.482 7.278 3.793 1.00 0.00 H new ATOM 1023 N ASP A 64 -5.125 10.623 2.797 1.00 0.00 N ATOM 1024 CA ASP A 64 -4.931 11.991 3.290 1.00 0.00 C ATOM 1025 C ASP A 64 -3.965 12.775 2.406 1.00 0.00 C ATOM 1026 O ASP A 64 -3.705 13.949 2.651 1.00 0.00 O ATOM 1027 CB ASP A 64 -4.408 11.985 4.729 1.00 0.00 C ATOM 1028 CG ASP A 64 -5.480 11.660 5.747 1.00 0.00 C ATOM 1029 OD1 ASP A 64 -5.753 10.465 5.973 1.00 0.00 O ATOM 1030 OD2 ASP A 64 -6.047 12.601 6.343 1.00 0.00 O ATOM 0 H ASP A 64 -4.599 9.914 3.308 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.905 12.480 3.262 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.602 11.256 4.814 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.981 12.961 4.958 1.00 0.00 H new ATOM 1035 N GLY A 65 -3.426 12.122 1.387 1.00 0.00 N ATOM 1036 CA GLY A 65 -2.487 12.779 0.498 1.00 0.00 C ATOM 1037 C GLY A 65 -1.051 12.584 0.937 1.00 0.00 C ATOM 1038 O GLY A 65 -0.120 12.980 0.238 1.00 0.00 O ATOM 0 H GLY A 65 -3.622 11.147 1.159 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.612 12.389 -0.512 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.712 13.845 0.459 1.00 0.00 H new ATOM 1042 N THR A 66 -0.880 11.964 2.098 1.00 0.00 N ATOM 1043 CA THR A 66 0.437 11.719 2.668 1.00 0.00 C ATOM 1044 C THR A 66 1.293 10.861 1.736 1.00 0.00 C ATOM 1045 O THR A 66 0.942 9.717 1.442 1.00 0.00 O ATOM 1046 CB THR A 66 0.302 11.003 4.026 1.00 0.00 C ATOM 1047 OG1 THR A 66 -0.708 11.651 4.809 1.00 0.00 O ATOM 1048 CG2 THR A 66 1.620 11.011 4.786 1.00 0.00 C ATOM 0 H THR A 66 -1.650 11.617 2.670 1.00 0.00 H new ATOM 0 HA THR A 66 0.924 12.685 2.803 1.00 0.00 H new ATOM 0 HB THR A 66 0.022 9.966 3.841 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.796 11.195 5.672 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.493 10.499 5.740 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.382 10.500 4.198 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.930 12.040 4.965 1.00 0.00 H new ATOM 1056 N VAL A 67 2.405 11.418 1.271 1.00 0.00 N ATOM 1057 CA VAL A 67 3.316 10.689 0.403 1.00 0.00 C ATOM 1058 C VAL A 67 4.130 9.684 1.213 1.00 0.00 C ATOM 1059 O VAL A 67 4.788 10.041 2.189 1.00 0.00 O ATOM 1060 CB VAL A 67 4.257 11.645 -0.358 1.00 0.00 C ATOM 1061 CG1 VAL A 67 5.245 10.869 -1.219 1.00 0.00 C ATOM 1062 CG2 VAL A 67 3.447 12.609 -1.212 1.00 0.00 C ATOM 0 H VAL A 67 2.696 12.373 1.482 1.00 0.00 H new ATOM 0 HA VAL A 67 2.716 10.153 -0.332 1.00 0.00 H new ATOM 0 HB VAL A 67 4.827 12.218 0.373 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.896 11.567 -1.745 1.00 0.00 H new ATOM 0 HG12 VAL A 67 5.847 10.218 -0.585 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.700 10.265 -1.945 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.122 13.279 -1.744 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.852 12.046 -1.931 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.785 13.194 -0.573 1.00 0.00 H new ATOM 1072 N LEU A 68 4.059 8.427 0.804 1.00 0.00 N ATOM 1073 CA LEU A 68 4.689 7.336 1.527 1.00 0.00 C ATOM 1074 C LEU A 68 5.975 6.894 0.836 1.00 0.00 C ATOM 1075 O LEU A 68 5.985 6.617 -0.367 1.00 0.00 O ATOM 1076 CB LEU A 68 3.704 6.169 1.617 1.00 0.00 C ATOM 1077 CG LEU A 68 2.371 6.507 2.289 1.00 0.00 C ATOM 1078 CD1 LEU A 68 1.255 5.652 1.714 1.00 0.00 C ATOM 1079 CD2 LEU A 68 2.468 6.294 3.789 1.00 0.00 C ATOM 0 H LEU A 68 3.563 8.136 -0.038 1.00 0.00 H new ATOM 0 HA LEU A 68 4.952 7.675 2.529 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.505 5.801 0.610 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.176 5.355 2.166 1.00 0.00 H new ATOM 0 HG LEU A 68 2.144 7.555 2.096 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.314 5.905 2.203 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.169 5.838 0.643 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.480 4.599 1.883 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.513 6.538 4.254 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.715 5.252 3.993 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.246 6.938 4.198 1.00 0.00 H new ATOM 1091 N LEU A 69 7.060 6.845 1.599 1.00 0.00 N ATOM 1092 CA LEU A 69 8.351 6.418 1.078 1.00 0.00 C ATOM 1093 C LEU A 69 8.676 5.001 1.551 1.00 0.00 C ATOM 1094 O LEU A 69 8.162 4.548 2.573 1.00 0.00 O ATOM 1095 CB LEU A 69 9.465 7.385 1.513 1.00 0.00 C ATOM 1096 CG LEU A 69 9.470 8.757 0.825 1.00 0.00 C ATOM 1097 CD1 LEU A 69 9.392 8.598 -0.682 1.00 0.00 C ATOM 1098 CD2 LEU A 69 8.337 9.637 1.329 1.00 0.00 C ATOM 0 H LEU A 69 7.070 7.098 2.587 1.00 0.00 H new ATOM 0 HA LEU A 69 8.293 6.424 -0.010 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.385 7.540 2.589 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.427 6.906 1.331 1.00 0.00 H new ATOM 0 HG LEU A 69 10.409 9.250 1.076 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.397 9.581 -1.152 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.250 8.024 -1.032 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.473 8.074 -0.946 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.371 10.601 0.821 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.382 9.153 1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.445 9.789 2.403 1.00 0.00 H new ATOM 1110 N PRO A 70 9.523 4.273 0.803 1.00 0.00 N ATOM 1111 CA PRO A 70 9.919 2.909 1.163 1.00 0.00 C ATOM 1112 C PRO A 70 10.872 2.862 2.360 1.00 0.00 C ATOM 1113 O PRO A 70 11.530 3.857 2.680 1.00 0.00 O ATOM 1114 CB PRO A 70 10.616 2.398 -0.103 1.00 0.00 C ATOM 1115 CG PRO A 70 11.124 3.619 -0.780 1.00 0.00 C ATOM 1116 CD PRO A 70 10.148 4.717 -0.456 1.00 0.00 C ATOM 0 HA PRO A 70 9.063 2.308 1.470 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.429 1.715 0.142 1.00 0.00 H new ATOM 0 HB3 PRO A 70 9.923 1.851 -0.742 1.00 0.00 H new ATOM 0 HG2 PRO A 70 12.124 3.871 -0.428 1.00 0.00 H new ATOM 0 HG3 PRO A 70 11.194 3.466 -1.857 1.00 0.00 H new ATOM 0 HD2 PRO A 70 10.651 5.677 -0.336 1.00 0.00 H new ATOM 0 HD3 PRO A 70 9.409 4.841 -1.247 1.00 0.00 H new ATOM 1124 N ASN A 71 10.911 1.699 3.018 1.00 0.00 N ATOM 1125 CA ASN A 71 11.791 1.425 4.166 1.00 0.00 C ATOM 1126 C ASN A 71 11.349 2.167 5.432 1.00 0.00 C ATOM 1127 O ASN A 71 11.445 1.627 6.536 1.00 0.00 O ATOM 1128 CB ASN A 71 13.253 1.748 3.840 1.00 0.00 C ATOM 1129 CG ASN A 71 14.209 1.286 4.928 1.00 0.00 C ATOM 1130 OD1 ASN A 71 13.958 0.296 5.620 1.00 0.00 O ATOM 1131 ND2 ASN A 71 15.321 1.989 5.076 1.00 0.00 N ATOM 0 H ASN A 71 10.322 0.905 2.766 1.00 0.00 H new ATOM 0 HA ASN A 71 11.709 0.357 4.368 1.00 0.00 H new ATOM 0 HB2 ASN A 71 13.525 1.274 2.897 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.361 2.823 3.699 1.00 0.00 H new ATOM 0 HD21 ASN A 71 16.006 1.718 5.782 1.00 0.00 H new ATOM 0 HD22 ASN A 71 15.493 2.802 4.484 1.00 0.00 H new ATOM 1138 N ASP A 72 10.865 3.390 5.277 1.00 0.00 N ATOM 1139 CA ASP A 72 10.419 4.180 6.417 1.00 0.00 C ATOM 1140 C ASP A 72 9.101 3.626 6.950 1.00 0.00 C ATOM 1141 O ASP A 72 8.201 3.297 6.179 1.00 0.00 O ATOM 1142 CB ASP A 72 10.266 5.651 6.022 1.00 0.00 C ATOM 1143 CG ASP A 72 10.056 6.557 7.219 1.00 0.00 C ATOM 1144 OD1 ASP A 72 11.026 6.778 7.981 1.00 0.00 O ATOM 1145 OD2 ASP A 72 8.932 7.059 7.404 1.00 0.00 O ATOM 0 H ASP A 72 10.771 3.857 4.375 1.00 0.00 H new ATOM 0 HA ASP A 72 11.169 4.117 7.205 1.00 0.00 H new ATOM 0 HB2 ASP A 72 11.155 5.972 5.480 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.422 5.754 5.340 1.00 0.00 H new ATOM 1150 N LEU A 73 9.000 3.501 8.265 1.00 0.00 N ATOM 1151 CA LEU A 73 7.831 2.894 8.884 1.00 0.00 C ATOM 1152 C LEU A 73 6.770 3.948 9.199 1.00 0.00 C ATOM 1153 O LEU A 73 6.987 4.837 10.022 1.00 0.00 O ATOM 1154 CB LEU A 73 8.246 2.155 10.159 1.00 0.00 C ATOM 1155 CG LEU A 73 7.152 1.310 10.810 1.00 0.00 C ATOM 1156 CD1 LEU A 73 6.701 0.209 9.864 1.00 0.00 C ATOM 1157 CD2 LEU A 73 7.643 0.724 12.126 1.00 0.00 C ATOM 0 H LEU A 73 9.714 3.812 8.924 1.00 0.00 H new ATOM 0 HA LEU A 73 7.397 2.181 8.183 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.091 1.508 9.925 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.597 2.888 10.886 1.00 0.00 H new ATOM 0 HG LEU A 73 6.297 1.951 11.022 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.922 -0.385 10.342 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.309 0.653 8.949 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.548 -0.432 9.622 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.851 0.125 12.576 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.514 0.095 11.942 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.917 1.532 12.804 1.00 0.00 H new ATOM 1169 N TYR A 74 5.623 3.842 8.545 1.00 0.00 N ATOM 1170 CA TYR A 74 4.539 4.796 8.737 1.00 0.00 C ATOM 1171 C TYR A 74 3.436 4.200 9.600 1.00 0.00 C ATOM 1172 O TYR A 74 3.186 2.997 9.549 1.00 0.00 O ATOM 1173 CB TYR A 74 3.952 5.219 7.391 1.00 0.00 C ATOM 1174 CG TYR A 74 4.912 5.996 6.527 1.00 0.00 C ATOM 1175 CD1 TYR A 74 5.757 5.349 5.637 1.00 0.00 C ATOM 1176 CD2 TYR A 74 4.970 7.380 6.600 1.00 0.00 C ATOM 1177 CE1 TYR A 74 6.634 6.060 4.845 1.00 0.00 C ATOM 1178 CE2 TYR A 74 5.845 8.098 5.813 1.00 0.00 C ATOM 1179 CZ TYR A 74 6.675 7.434 4.937 1.00 0.00 C ATOM 1180 OH TYR A 74 7.548 8.148 4.154 1.00 0.00 O ATOM 0 H TYR A 74 5.418 3.102 7.874 1.00 0.00 H new ATOM 0 HA TYR A 74 4.953 5.669 9.242 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.629 4.329 6.850 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.063 5.825 7.567 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.728 4.272 5.563 1.00 0.00 H new ATOM 0 HD2 TYR A 74 4.319 7.904 7.285 1.00 0.00 H new ATOM 0 HE1 TYR A 74 7.285 5.542 4.156 1.00 0.00 H new ATOM 0 HE2 TYR A 74 5.879 9.175 5.883 1.00 0.00 H new ATOM 0 HH TYR A 74 7.448 9.105 4.342 1.00 0.00 H new ATOM 1190 N PRO A 75 2.777 5.030 10.417 1.00 0.00 N ATOM 1191 CA PRO A 75 1.621 4.622 11.194 1.00 0.00 C ATOM 1192 C PRO A 75 0.320 4.817 10.416 1.00 0.00 C ATOM 1193 O PRO A 75 0.127 5.834 9.746 1.00 0.00 O ATOM 1194 CB PRO A 75 1.665 5.551 12.416 1.00 0.00 C ATOM 1195 CG PRO A 75 2.626 6.657 12.080 1.00 0.00 C ATOM 1196 CD PRO A 75 3.112 6.433 10.670 1.00 0.00 C ATOM 0 HA PRO A 75 1.648 3.564 11.454 1.00 0.00 H new ATOM 0 HB2 PRO A 75 0.675 5.951 12.634 1.00 0.00 H new ATOM 0 HB3 PRO A 75 1.993 5.009 13.303 1.00 0.00 H new ATOM 0 HG2 PRO A 75 2.137 7.627 12.166 1.00 0.00 H new ATOM 0 HG3 PRO A 75 3.464 6.660 12.777 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.616 7.099 9.963 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.183 6.613 10.580 1.00 0.00 H new ATOM 1204 N LEU A 76 -0.564 3.836 10.496 1.00 0.00 N ATOM 1205 CA LEU A 76 -1.854 3.917 9.827 1.00 0.00 C ATOM 1206 C LEU A 76 -2.907 4.485 10.772 1.00 0.00 C ATOM 1207 O LEU A 76 -3.032 4.032 11.908 1.00 0.00 O ATOM 1208 CB LEU A 76 -2.284 2.538 9.324 1.00 0.00 C ATOM 1209 CG LEU A 76 -1.422 1.956 8.204 1.00 0.00 C ATOM 1210 CD1 LEU A 76 -1.794 0.506 7.949 1.00 0.00 C ATOM 1211 CD2 LEU A 76 -1.579 2.777 6.932 1.00 0.00 C ATOM 0 H LEU A 76 -0.412 2.973 11.018 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.757 4.584 8.971 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.277 1.844 10.164 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.314 2.602 8.972 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.378 1.996 8.514 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.171 0.106 7.149 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.636 -0.075 8.857 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.843 0.445 7.658 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.959 2.350 6.144 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.623 2.766 6.618 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.268 3.804 7.121 1.00 0.00 H new ATOM 1223 N PRO A 77 -3.680 5.483 10.313 1.00 0.00 N ATOM 1224 CA PRO A 77 -4.705 6.141 11.134 1.00 0.00 C ATOM 1225 C PRO A 77 -5.967 5.295 11.305 1.00 0.00 C ATOM 1226 O PRO A 77 -6.960 5.750 11.878 1.00 0.00 O ATOM 1227 CB PRO A 77 -5.018 7.413 10.343 1.00 0.00 C ATOM 1228 CG PRO A 77 -4.743 7.047 8.925 1.00 0.00 C ATOM 1229 CD PRO A 77 -3.601 6.064 8.959 1.00 0.00 C ATOM 0 HA PRO A 77 -4.355 6.320 12.151 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -6.055 7.721 10.480 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.393 8.246 10.666 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.624 6.605 8.459 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.481 7.928 8.339 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -3.707 5.300 8.189 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -2.643 6.557 8.790 1.00 0.00 H new ATOM 1237 N GLY A 78 -5.928 4.066 10.810 1.00 0.00 N ATOM 1238 CA GLY A 78 -7.064 3.184 10.939 1.00 0.00 C ATOM 1239 C GLY A 78 -6.883 1.899 10.170 1.00 0.00 C ATOM 1240 O GLY A 78 -5.771 1.566 9.761 1.00 0.00 O ATOM 0 H GLY A 78 -5.127 3.666 10.321 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.225 2.955 11.992 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.959 3.694 10.584 1.00 0.00 H new ATOM 1244 N GLU A 79 -7.976 1.186 9.973 1.00 0.00 N ATOM 1245 CA GLU A 79 -7.960 -0.080 9.256 1.00 0.00 C ATOM 1246 C GLU A 79 -8.664 0.067 7.914 1.00 0.00 C ATOM 1247 O GLU A 79 -8.591 -0.813 7.050 1.00 0.00 O ATOM 1248 CB GLU A 79 -8.637 -1.156 10.104 1.00 0.00 C ATOM 1249 CG GLU A 79 -10.008 -0.739 10.608 1.00 0.00 C ATOM 1250 CD GLU A 79 -10.604 -1.726 11.585 1.00 0.00 C ATOM 1251 OE1 GLU A 79 -10.192 -1.725 12.762 1.00 0.00 O ATOM 1252 OE2 GLU A 79 -11.512 -2.485 11.188 1.00 0.00 O ATOM 0 H GLU A 79 -8.899 1.465 10.304 1.00 0.00 H new ATOM 0 HA GLU A 79 -6.928 -0.376 9.069 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -8.735 -2.068 9.514 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -8.000 -1.394 10.956 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.931 0.237 11.087 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.682 -0.625 9.759 1.00 0.00 H new ATOM 1259 N THR A 80 -9.352 1.188 7.755 1.00 0.00 N ATOM 1260 CA THR A 80 -10.061 1.501 6.530 1.00 0.00 C ATOM 1261 C THR A 80 -9.380 2.668 5.822 1.00 0.00 C ATOM 1262 O THR A 80 -9.592 3.827 6.181 1.00 0.00 O ATOM 1263 CB THR A 80 -11.522 1.881 6.832 1.00 0.00 C ATOM 1264 OG1 THR A 80 -12.035 1.051 7.885 1.00 0.00 O ATOM 1265 CG2 THR A 80 -12.394 1.730 5.595 1.00 0.00 C ATOM 0 H THR A 80 -9.433 1.906 8.475 1.00 0.00 H new ATOM 0 HA THR A 80 -10.046 0.619 5.890 1.00 0.00 H new ATOM 0 HB THR A 80 -11.543 2.925 7.144 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.964 1.299 8.074 1.00 0.00 H new ATOM 0 HG21 THR A 80 -13.420 2.005 5.838 1.00 0.00 H new ATOM 0 HG22 THR A 80 -12.021 2.382 4.805 1.00 0.00 H new ATOM 0 HG23 THR A 80 -12.367 0.695 5.255 1.00 0.00 H new ATOM 1273 N PHE A 81 -8.550 2.366 4.835 1.00 0.00 N ATOM 1274 CA PHE A 81 -7.796 3.404 4.147 1.00 0.00 C ATOM 1275 C PHE A 81 -7.627 3.076 2.671 1.00 0.00 C ATOM 1276 O PHE A 81 -7.741 1.918 2.258 1.00 0.00 O ATOM 1277 CB PHE A 81 -6.426 3.608 4.813 1.00 0.00 C ATOM 1278 CG PHE A 81 -5.585 2.363 4.893 1.00 0.00 C ATOM 1279 CD1 PHE A 81 -5.766 1.453 5.922 1.00 0.00 C ATOM 1280 CD2 PHE A 81 -4.608 2.107 3.944 1.00 0.00 C ATOM 1281 CE1 PHE A 81 -4.994 0.312 6.001 1.00 0.00 C ATOM 1282 CE2 PHE A 81 -3.832 0.968 4.019 1.00 0.00 C ATOM 1283 CZ PHE A 81 -4.024 0.069 5.049 1.00 0.00 C ATOM 0 H PHE A 81 -8.382 1.419 4.494 1.00 0.00 H new ATOM 0 HA PHE A 81 -8.361 4.333 4.222 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -5.876 4.369 4.260 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -6.579 3.995 5.821 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -6.521 1.639 6.672 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -4.452 2.807 3.136 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.148 -0.390 6.807 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -3.075 0.780 3.272 1.00 0.00 H new ATOM 0 HZ PHE A 81 -3.417 -0.822 5.110 1.00 0.00 H new ATOM 1293 N ARG A 82 -7.369 4.103 1.876 1.00 0.00 N ATOM 1294 CA ARG A 82 -7.175 3.930 0.447 1.00 0.00 C ATOM 1295 C ARG A 82 -5.843 4.543 0.038 1.00 0.00 C ATOM 1296 O ARG A 82 -5.497 5.644 0.475 1.00 0.00 O ATOM 1297 CB ARG A 82 -8.331 4.564 -0.344 1.00 0.00 C ATOM 1298 CG ARG A 82 -9.703 4.247 0.239 1.00 0.00 C ATOM 1299 CD ARG A 82 -10.827 4.385 -0.781 1.00 0.00 C ATOM 1300 NE ARG A 82 -10.905 5.716 -1.387 1.00 0.00 N ATOM 1301 CZ ARG A 82 -11.721 6.685 -0.963 1.00 0.00 C ATOM 1302 NH1 ARG A 82 -12.469 6.507 0.121 1.00 0.00 N ATOM 1303 NH2 ARG A 82 -11.802 7.829 -1.632 1.00 0.00 N ATOM 0 H ARG A 82 -7.289 5.067 2.199 1.00 0.00 H new ATOM 0 HA ARG A 82 -7.163 2.864 0.218 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -8.195 5.645 -0.369 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -8.292 4.214 -1.375 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -9.699 3.230 0.632 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -9.898 4.913 1.079 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -10.686 3.644 -1.568 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -11.777 4.159 -0.296 1.00 0.00 H new ATOM 0 HE ARG A 82 -10.298 5.916 -2.182 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -12.422 5.627 0.634 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -13.090 7.251 0.440 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -11.240 7.970 -2.472 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -12.426 8.567 -1.306 1.00 0.00 H new ATOM 1317 N LEU A 83 -5.089 3.816 -0.769 1.00 0.00 N ATOM 1318 CA LEU A 83 -3.778 4.270 -1.204 1.00 0.00 C ATOM 1319 C LEU A 83 -3.812 4.670 -2.675 1.00 0.00 C ATOM 1320 O LEU A 83 -4.361 3.954 -3.508 1.00 0.00 O ATOM 1321 CB LEU A 83 -2.738 3.167 -0.987 1.00 0.00 C ATOM 1322 CG LEU A 83 -2.586 2.675 0.456 1.00 0.00 C ATOM 1323 CD1 LEU A 83 -1.597 1.523 0.523 1.00 0.00 C ATOM 1324 CD2 LEU A 83 -2.140 3.807 1.371 1.00 0.00 C ATOM 0 H LEU A 83 -5.363 2.905 -1.138 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.501 5.142 -0.611 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.000 2.316 -1.616 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.770 3.532 -1.331 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.559 2.322 0.798 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.501 1.186 1.555 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.954 0.700 -0.096 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.625 1.856 0.158 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.039 3.433 2.390 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.180 4.194 1.030 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.881 4.606 1.349 1.00 0.00 H new ATOM 1336 N TYR A 84 -3.234 5.814 -2.986 1.00 0.00 N ATOM 1337 CA TYR A 84 -3.185 6.301 -4.355 1.00 0.00 C ATOM 1338 C TYR A 84 -1.802 6.078 -4.941 1.00 0.00 C ATOM 1339 O TYR A 84 -0.865 6.823 -4.647 1.00 0.00 O ATOM 1340 CB TYR A 84 -3.542 7.785 -4.416 1.00 0.00 C ATOM 1341 CG TYR A 84 -4.912 8.098 -3.865 1.00 0.00 C ATOM 1342 CD1 TYR A 84 -6.059 7.669 -4.519 1.00 0.00 C ATOM 1343 CD2 TYR A 84 -5.057 8.822 -2.688 1.00 0.00 C ATOM 1344 CE1 TYR A 84 -7.313 7.951 -4.014 1.00 0.00 C ATOM 1345 CE2 TYR A 84 -6.307 9.108 -2.181 1.00 0.00 C ATOM 1346 CZ TYR A 84 -7.430 8.672 -2.846 1.00 0.00 C ATOM 1347 OH TYR A 84 -8.676 8.950 -2.337 1.00 0.00 O ATOM 0 H TYR A 84 -2.788 6.429 -2.305 1.00 0.00 H new ATOM 0 HA TYR A 84 -3.916 5.744 -4.941 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -2.797 8.353 -3.859 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -3.490 8.121 -5.452 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -5.969 7.106 -5.436 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -4.178 9.166 -2.163 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -8.197 7.608 -4.532 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -6.404 9.672 -1.265 1.00 0.00 H new ATOM 0 HH TYR A 84 -8.583 9.465 -1.509 1.00 0.00 H new ATOM 1357 N TYR A 85 -1.671 5.046 -5.754 1.00 0.00 N ATOM 1358 CA TYR A 85 -0.391 4.713 -6.350 1.00 0.00 C ATOM 1359 C TYR A 85 -0.189 5.472 -7.652 1.00 0.00 C ATOM 1360 O TYR A 85 -0.939 5.292 -8.611 1.00 0.00 O ATOM 1361 CB TYR A 85 -0.289 3.207 -6.595 1.00 0.00 C ATOM 1362 CG TYR A 85 1.022 2.789 -7.217 1.00 0.00 C ATOM 1363 CD1 TYR A 85 2.204 2.833 -6.488 1.00 0.00 C ATOM 1364 CD2 TYR A 85 1.079 2.358 -8.536 1.00 0.00 C ATOM 1365 CE1 TYR A 85 3.405 2.459 -7.056 1.00 0.00 C ATOM 1366 CE2 TYR A 85 2.276 1.984 -9.111 1.00 0.00 C ATOM 1367 CZ TYR A 85 3.435 2.034 -8.366 1.00 0.00 C ATOM 1368 OH TYR A 85 4.630 1.661 -8.933 1.00 0.00 O ATOM 0 H TYR A 85 -2.436 4.424 -6.017 1.00 0.00 H new ATOM 0 HA TYR A 85 0.394 5.008 -5.654 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -0.417 2.683 -5.648 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -1.107 2.896 -7.245 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.183 3.165 -5.461 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.172 2.315 -9.121 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.316 2.499 -6.477 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.305 1.654 -10.139 1.00 0.00 H new ATOM 0 HH TYR A 85 4.559 1.713 -9.909 1.00 0.00 H new ATOM 1378 N THR A 86 0.815 6.330 -7.672 1.00 0.00 N ATOM 1379 CA THR A 86 1.156 7.084 -8.865 1.00 0.00 C ATOM 1380 C THR A 86 2.400 6.490 -9.524 1.00 0.00 C ATOM 1381 O THR A 86 3.509 6.624 -9.004 1.00 0.00 O ATOM 1382 CB THR A 86 1.414 8.563 -8.521 1.00 0.00 C ATOM 1383 OG1 THR A 86 0.411 9.024 -7.604 1.00 0.00 O ATOM 1384 CG2 THR A 86 1.393 9.427 -9.775 1.00 0.00 C ATOM 0 H THR A 86 1.413 6.523 -6.868 1.00 0.00 H new ATOM 0 HA THR A 86 0.315 7.025 -9.556 1.00 0.00 H new ATOM 0 HB THR A 86 2.400 8.643 -8.064 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.080 9.772 -8.005 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.578 10.466 -9.504 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.167 9.088 -10.463 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.419 9.345 -10.257 1.00 0.00 H new ATOM 1392 N SER A 87 2.210 5.830 -10.658 1.00 0.00 N ATOM 1393 CA SER A 87 3.303 5.173 -11.361 1.00 0.00 C ATOM 1394 C SER A 87 4.319 6.189 -11.880 1.00 0.00 C ATOM 1395 O SER A 87 3.955 7.181 -12.519 1.00 0.00 O ATOM 1396 CB SER A 87 2.725 4.341 -12.505 1.00 0.00 C ATOM 1397 OG SER A 87 1.434 4.810 -12.855 1.00 0.00 O ATOM 0 H SER A 87 1.302 5.735 -11.113 1.00 0.00 H new ATOM 0 HA SER A 87 3.833 4.519 -10.669 1.00 0.00 H new ATOM 0 HB2 SER A 87 3.385 4.394 -13.371 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.670 3.293 -12.209 1.00 0.00 H new ATOM 0 HG SER A 87 1.513 5.500 -13.546 1.00 0.00 H new ATOM 1403 N ALA A 88 5.595 5.946 -11.584 1.00 0.00 N ATOM 1404 CA ALA A 88 6.653 6.873 -11.955 1.00 0.00 C ATOM 1405 C ALA A 88 7.709 6.208 -12.842 1.00 0.00 C ATOM 1406 O ALA A 88 8.674 6.852 -13.261 1.00 0.00 O ATOM 1407 CB ALA A 88 7.293 7.459 -10.704 1.00 0.00 C ATOM 0 H ALA A 88 5.917 5.115 -11.089 1.00 0.00 H new ATOM 0 HA ALA A 88 6.204 7.678 -12.538 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.084 8.152 -10.991 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.538 7.990 -10.124 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.716 6.655 -10.101 1.00 0.00 H new ATOM 1413 N SER A 89 7.533 4.924 -13.123 1.00 0.00 N ATOM 1414 CA SER A 89 8.439 4.212 -14.014 1.00 0.00 C ATOM 1415 C SER A 89 7.667 3.620 -15.186 1.00 0.00 C ATOM 1416 O SER A 89 6.477 3.326 -15.070 1.00 0.00 O ATOM 1417 CB SER A 89 9.197 3.119 -13.254 1.00 0.00 C ATOM 1418 OG SER A 89 8.311 2.288 -12.522 1.00 0.00 O ATOM 0 H SER A 89 6.774 4.356 -12.748 1.00 0.00 H new ATOM 0 HA SER A 89 9.170 4.920 -14.404 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.768 2.514 -13.958 1.00 0.00 H new ATOM 0 HB3 SER A 89 9.914 3.578 -12.573 1.00 0.00 H new ATOM 0 HG SER A 89 8.742 1.426 -12.345 1.00 0.00 H new ATOM 1424 N THR A 90 8.340 3.459 -16.314 1.00 0.00 N ATOM 1425 CA THR A 90 7.695 2.973 -17.519 1.00 0.00 C ATOM 1426 C THR A 90 7.788 1.450 -17.613 1.00 0.00 C ATOM 1427 O THR A 90 6.944 0.798 -18.231 1.00 0.00 O ATOM 1428 CB THR A 90 8.344 3.606 -18.762 1.00 0.00 C ATOM 1429 OG1 THR A 90 8.526 5.014 -18.551 1.00 0.00 O ATOM 1430 CG2 THR A 90 7.487 3.386 -19.998 1.00 0.00 C ATOM 0 H THR A 90 9.335 3.659 -16.418 1.00 0.00 H new ATOM 0 HA THR A 90 6.643 3.256 -17.475 1.00 0.00 H new ATOM 0 HB THR A 90 9.310 3.128 -18.922 1.00 0.00 H new ATOM 0 HG1 THR A 90 8.941 5.413 -19.344 1.00 0.00 H new ATOM 0 HG21 THR A 90 7.970 3.844 -20.862 1.00 0.00 H new ATOM 0 HG22 THR A 90 7.369 2.317 -20.173 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.507 3.840 -19.847 1.00 0.00 H new ATOM 1438 N ASP A 91 8.810 0.893 -16.987 1.00 0.00 N ATOM 1439 CA ASP A 91 9.064 -0.540 -17.040 1.00 0.00 C ATOM 1440 C ASP A 91 8.437 -1.248 -15.839 1.00 0.00 C ATOM 1441 O ASP A 91 7.512 -0.719 -15.216 1.00 0.00 O ATOM 1442 CB ASP A 91 10.577 -0.795 -17.097 1.00 0.00 C ATOM 1443 CG ASP A 91 11.321 -0.251 -15.890 1.00 0.00 C ATOM 1444 OD1 ASP A 91 11.128 0.938 -15.547 1.00 0.00 O ATOM 1445 OD2 ASP A 91 12.114 -1.003 -15.290 1.00 0.00 O ATOM 0 H ASP A 91 9.485 1.416 -16.430 1.00 0.00 H new ATOM 0 HA ASP A 91 8.604 -0.947 -17.941 1.00 0.00 H new ATOM 0 HB2 ASP A 91 10.756 -1.868 -17.173 1.00 0.00 H new ATOM 0 HB3 ASP A 91 10.982 -0.340 -18.001 1.00 0.00 H new ATOM 1450 N GLN A 92 8.939 -2.444 -15.532 1.00 0.00 N ATOM 1451 CA GLN A 92 8.396 -3.274 -14.455 1.00 0.00 C ATOM 1452 C GLN A 92 8.389 -2.526 -13.126 1.00 0.00 C ATOM 1453 O GLN A 92 9.439 -2.147 -12.604 1.00 0.00 O ATOM 1454 CB GLN A 92 9.212 -4.568 -14.315 1.00 0.00 C ATOM 1455 CG GLN A 92 8.774 -5.443 -13.146 1.00 0.00 C ATOM 1456 CD GLN A 92 9.640 -6.677 -12.970 1.00 0.00 C ATOM 1457 OE1 GLN A 92 10.170 -7.226 -13.938 1.00 0.00 O ATOM 1458 NE2 GLN A 92 9.805 -7.113 -11.730 1.00 0.00 N ATOM 0 H GLN A 92 9.730 -2.864 -16.020 1.00 0.00 H new ATOM 0 HA GLN A 92 7.367 -3.521 -14.715 1.00 0.00 H new ATOM 0 HB2 GLN A 92 9.129 -5.142 -15.238 1.00 0.00 H new ATOM 0 HB3 GLN A 92 10.264 -4.312 -14.192 1.00 0.00 H new ATOM 0 HG2 GLN A 92 8.800 -4.854 -12.229 1.00 0.00 H new ATOM 0 HG3 GLN A 92 7.739 -5.751 -13.298 1.00 0.00 H new ATOM 0 HE21 GLN A 92 9.349 -6.631 -10.955 1.00 0.00 H new ATOM 0 HE22 GLN A 92 10.388 -7.931 -11.550 1.00 0.00 H new ATOM 1467 N GLN A 93 7.197 -2.316 -12.589 1.00 0.00 N ATOM 1468 CA GLN A 93 7.042 -1.657 -11.305 1.00 0.00 C ATOM 1469 C GLN A 93 6.770 -2.701 -10.233 1.00 0.00 C ATOM 1470 O GLN A 93 5.725 -3.347 -10.243 1.00 0.00 O ATOM 1471 CB GLN A 93 5.887 -0.656 -11.368 1.00 0.00 C ATOM 1472 CG GLN A 93 5.985 0.306 -12.537 1.00 0.00 C ATOM 1473 CD GLN A 93 4.787 1.227 -12.646 1.00 0.00 C ATOM 1474 OE1 GLN A 93 4.168 1.587 -11.647 1.00 0.00 O ATOM 1475 NE2 GLN A 93 4.460 1.625 -13.863 1.00 0.00 N ATOM 0 H GLN A 93 6.319 -2.595 -13.027 1.00 0.00 H new ATOM 0 HA GLN A 93 7.958 -1.119 -11.060 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.946 -1.202 -11.435 1.00 0.00 H new ATOM 0 HB3 GLN A 93 5.859 -0.086 -10.439 1.00 0.00 H new ATOM 0 HG2 GLN A 93 6.889 0.906 -12.433 1.00 0.00 H new ATOM 0 HG3 GLN A 93 6.085 -0.263 -13.461 1.00 0.00 H new ATOM 0 HE21 GLN A 93 4.999 1.303 -14.667 1.00 0.00 H new ATOM 0 HE22 GLN A 93 3.668 2.254 -13.998 1.00 0.00 H new ATOM 1484 N THR A 94 7.713 -2.889 -9.329 1.00 0.00 N ATOM 1485 CA THR A 94 7.564 -3.892 -8.291 1.00 0.00 C ATOM 1486 C THR A 94 7.503 -3.237 -6.917 1.00 0.00 C ATOM 1487 O THR A 94 8.513 -2.771 -6.394 1.00 0.00 O ATOM 1488 CB THR A 94 8.726 -4.897 -8.339 1.00 0.00 C ATOM 1489 OG1 THR A 94 8.974 -5.261 -9.703 1.00 0.00 O ATOM 1490 CG2 THR A 94 8.403 -6.143 -7.527 1.00 0.00 C ATOM 0 H THR A 94 8.586 -2.363 -9.292 1.00 0.00 H new ATOM 0 HA THR A 94 6.630 -4.425 -8.468 1.00 0.00 H new ATOM 0 HB THR A 94 9.612 -4.430 -7.908 1.00 0.00 H new ATOM 0 HG1 THR A 94 9.932 -5.182 -9.894 1.00 0.00 H new ATOM 0 HG21 THR A 94 9.241 -6.838 -7.578 1.00 0.00 H new ATOM 0 HG22 THR A 94 8.225 -5.864 -6.488 1.00 0.00 H new ATOM 0 HG23 THR A 94 7.511 -6.621 -7.933 1.00 0.00 H new ATOM 1498 N VAL A 95 6.311 -3.198 -6.347 1.00 0.00 N ATOM 1499 CA VAL A 95 6.104 -2.564 -5.056 1.00 0.00 C ATOM 1500 C VAL A 95 5.888 -3.612 -3.974 1.00 0.00 C ATOM 1501 O VAL A 95 4.899 -4.350 -3.993 1.00 0.00 O ATOM 1502 CB VAL A 95 4.898 -1.602 -5.088 1.00 0.00 C ATOM 1503 CG1 VAL A 95 4.764 -0.862 -3.764 1.00 0.00 C ATOM 1504 CG2 VAL A 95 5.032 -0.620 -6.242 1.00 0.00 C ATOM 0 H VAL A 95 5.469 -3.599 -6.759 1.00 0.00 H new ATOM 0 HA VAL A 95 7.001 -1.988 -4.828 1.00 0.00 H new ATOM 0 HB VAL A 95 3.993 -2.190 -5.240 1.00 0.00 H new ATOM 0 HG11 VAL A 95 3.908 -0.189 -3.808 1.00 0.00 H new ATOM 0 HG12 VAL A 95 4.619 -1.581 -2.958 1.00 0.00 H new ATOM 0 HG13 VAL A 95 5.669 -0.285 -3.576 1.00 0.00 H new ATOM 0 HG21 VAL A 95 4.173 0.051 -6.250 1.00 0.00 H new ATOM 0 HG22 VAL A 95 5.946 -0.039 -6.121 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.073 -1.168 -7.183 1.00 0.00 H new ATOM 1514 N ASP A 96 6.827 -3.687 -3.045 1.00 0.00 N ATOM 1515 CA ASP A 96 6.732 -4.621 -1.932 1.00 0.00 C ATOM 1516 C ASP A 96 6.071 -3.922 -0.751 1.00 0.00 C ATOM 1517 O ASP A 96 6.645 -2.998 -0.173 1.00 0.00 O ATOM 1518 CB ASP A 96 8.130 -5.104 -1.539 1.00 0.00 C ATOM 1519 CG ASP A 96 8.133 -6.484 -0.914 1.00 0.00 C ATOM 1520 OD1 ASP A 96 7.270 -6.774 -0.066 1.00 0.00 O ATOM 1521 OD2 ASP A 96 9.025 -7.288 -1.267 1.00 0.00 O ATOM 0 H ASP A 96 7.668 -3.110 -3.039 1.00 0.00 H new ATOM 0 HA ASP A 96 6.133 -5.483 -2.226 1.00 0.00 H new ATOM 0 HB2 ASP A 96 8.766 -5.112 -2.424 1.00 0.00 H new ATOM 0 HB3 ASP A 96 8.568 -4.394 -0.838 1.00 0.00 H new ATOM 1526 N VAL A 97 4.858 -4.335 -0.411 1.00 0.00 N ATOM 1527 CA VAL A 97 4.103 -3.674 0.648 1.00 0.00 C ATOM 1528 C VAL A 97 4.008 -4.553 1.890 1.00 0.00 C ATOM 1529 O VAL A 97 3.664 -5.732 1.801 1.00 0.00 O ATOM 1530 CB VAL A 97 2.677 -3.303 0.182 1.00 0.00 C ATOM 1531 CG1 VAL A 97 1.931 -2.541 1.266 1.00 0.00 C ATOM 1532 CG2 VAL A 97 2.721 -2.493 -1.105 1.00 0.00 C ATOM 0 H VAL A 97 4.376 -5.120 -0.849 1.00 0.00 H new ATOM 0 HA VAL A 97 4.644 -2.760 0.894 1.00 0.00 H new ATOM 0 HB VAL A 97 2.138 -4.230 -0.015 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.930 -2.292 0.913 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.856 -3.160 2.160 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.471 -1.624 1.503 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.706 -2.244 -1.413 1.00 0.00 H new ATOM 0 HG22 VAL A 97 3.285 -1.575 -0.938 1.00 0.00 H new ATOM 0 HG23 VAL A 97 3.204 -3.079 -1.887 1.00 0.00 H new ATOM 1542 N TYR A 98 4.306 -3.970 3.045 1.00 0.00 N ATOM 1543 CA TYR A 98 4.257 -4.698 4.304 1.00 0.00 C ATOM 1544 C TYR A 98 3.188 -4.120 5.226 1.00 0.00 C ATOM 1545 O TYR A 98 3.231 -2.937 5.569 1.00 0.00 O ATOM 1546 CB TYR A 98 5.613 -4.631 5.011 1.00 0.00 C ATOM 1547 CG TYR A 98 6.777 -5.077 4.159 1.00 0.00 C ATOM 1548 CD1 TYR A 98 7.097 -6.421 4.036 1.00 0.00 C ATOM 1549 CD2 TYR A 98 7.561 -4.147 3.488 1.00 0.00 C ATOM 1550 CE1 TYR A 98 8.168 -6.829 3.267 1.00 0.00 C ATOM 1551 CE2 TYR A 98 8.631 -4.545 2.715 1.00 0.00 C ATOM 1552 CZ TYR A 98 8.932 -5.886 2.609 1.00 0.00 C ATOM 1553 OH TYR A 98 10.001 -6.287 1.847 1.00 0.00 O ATOM 0 H TYR A 98 4.585 -2.993 3.134 1.00 0.00 H new ATOM 0 HA TYR A 98 4.011 -5.736 4.078 1.00 0.00 H new ATOM 0 HB2 TYR A 98 5.789 -3.607 5.339 1.00 0.00 H new ATOM 0 HB3 TYR A 98 5.574 -5.251 5.907 1.00 0.00 H new ATOM 0 HD1 TYR A 98 6.499 -7.159 4.550 1.00 0.00 H new ATOM 0 HD2 TYR A 98 7.329 -3.096 3.573 1.00 0.00 H new ATOM 0 HE1 TYR A 98 8.407 -7.879 3.181 1.00 0.00 H new ATOM 0 HE2 TYR A 98 9.229 -3.811 2.196 1.00 0.00 H new ATOM 0 HH TYR A 98 10.433 -5.502 1.450 1.00 0.00 H new ATOM 1563 N PHE A 99 2.242 -4.959 5.627 1.00 0.00 N ATOM 1564 CA PHE A 99 1.230 -4.574 6.606 1.00 0.00 C ATOM 1565 C PHE A 99 1.498 -5.296 7.921 1.00 0.00 C ATOM 1566 O PHE A 99 1.393 -6.523 7.990 1.00 0.00 O ATOM 1567 CB PHE A 99 -0.178 -4.933 6.112 1.00 0.00 C ATOM 1568 CG PHE A 99 -0.625 -4.187 4.887 1.00 0.00 C ATOM 1569 CD1 PHE A 99 -1.232 -2.949 5.000 1.00 0.00 C ATOM 1570 CD2 PHE A 99 -0.453 -4.733 3.624 1.00 0.00 C ATOM 1571 CE1 PHE A 99 -1.658 -2.266 3.877 1.00 0.00 C ATOM 1572 CE2 PHE A 99 -0.879 -4.054 2.498 1.00 0.00 C ATOM 1573 CZ PHE A 99 -1.482 -2.818 2.625 1.00 0.00 C ATOM 0 H PHE A 99 2.153 -5.917 5.288 1.00 0.00 H new ATOM 0 HA PHE A 99 1.284 -3.495 6.750 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -0.213 -6.002 5.902 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.889 -4.743 6.916 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -1.374 -2.511 5.977 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.019 -5.699 3.519 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.129 -1.300 3.979 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.740 -4.490 1.520 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.815 -2.285 1.747 1.00 0.00 H new ATOM 1583 N GLN A 100 1.853 -4.549 8.958 1.00 0.00 N ATOM 1584 CA GLN A 100 2.198 -5.158 10.233 1.00 0.00 C ATOM 1585 C GLN A 100 1.312 -4.640 11.361 1.00 0.00 C ATOM 1586 O GLN A 100 1.008 -3.447 11.449 1.00 0.00 O ATOM 1587 CB GLN A 100 3.675 -4.924 10.563 1.00 0.00 C ATOM 1588 CG GLN A 100 4.052 -3.464 10.717 1.00 0.00 C ATOM 1589 CD GLN A 100 5.533 -3.264 10.968 1.00 0.00 C ATOM 1590 OE1 GLN A 100 6.316 -3.104 10.034 1.00 0.00 O ATOM 1591 NE2 GLN A 100 5.930 -3.282 12.229 1.00 0.00 N ATOM 0 H GLN A 100 1.909 -3.531 8.941 1.00 0.00 H new ATOM 0 HA GLN A 100 2.026 -6.230 10.141 1.00 0.00 H new ATOM 0 HB2 GLN A 100 3.917 -5.450 11.486 1.00 0.00 H new ATOM 0 HB3 GLN A 100 4.286 -5.365 9.775 1.00 0.00 H new ATOM 0 HG2 GLN A 100 3.764 -2.922 9.816 1.00 0.00 H new ATOM 0 HG3 GLN A 100 3.486 -3.032 11.543 1.00 0.00 H new ATOM 0 HE21 GLN A 100 5.249 -3.417 12.976 1.00 0.00 H new ATOM 0 HE22 GLN A 100 6.917 -3.160 12.455 1.00 0.00 H new ATOM 1600 N ASP A 101 0.896 -5.565 12.206 1.00 0.00 N ATOM 1601 CA ASP A 101 0.084 -5.255 13.377 1.00 0.00 C ATOM 1602 C ASP A 101 0.910 -5.523 14.632 1.00 0.00 C ATOM 1603 O ASP A 101 1.843 -6.330 14.598 1.00 0.00 O ATOM 1604 CB ASP A 101 -1.193 -6.113 13.372 1.00 0.00 C ATOM 1605 CG ASP A 101 -2.132 -5.807 14.527 1.00 0.00 C ATOM 1606 OD1 ASP A 101 -1.865 -6.281 15.648 1.00 0.00 O ATOM 1607 OD2 ASP A 101 -3.143 -5.106 14.315 1.00 0.00 O ATOM 0 H ASP A 101 1.110 -6.557 12.103 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.213 -4.206 13.359 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -1.723 -5.957 12.432 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.914 -7.166 13.410 1.00 0.00 H new ATOM 1612 N SER A 102 0.580 -4.862 15.734 1.00 0.00 N ATOM 1613 CA SER A 102 1.350 -5.001 16.963 1.00 0.00 C ATOM 1614 C SER A 102 1.084 -6.346 17.650 1.00 0.00 C ATOM 1615 O SER A 102 1.635 -6.634 18.711 1.00 0.00 O ATOM 1616 CB SER A 102 1.044 -3.842 17.908 1.00 0.00 C ATOM 1617 OG SER A 102 -0.348 -3.624 18.005 1.00 0.00 O ATOM 0 H SER A 102 -0.214 -4.225 15.802 1.00 0.00 H new ATOM 0 HA SER A 102 2.408 -4.975 16.701 1.00 0.00 H new ATOM 0 HB2 SER A 102 1.452 -4.056 18.896 1.00 0.00 H new ATOM 0 HB3 SER A 102 1.534 -2.937 17.550 1.00 0.00 H new ATOM 0 HG SER A 102 -0.769 -4.389 18.449 1.00 0.00 H new ATOM 1623 N PHE A 103 0.232 -7.157 17.041 1.00 0.00 N ATOM 1624 CA PHE A 103 0.029 -8.529 17.482 1.00 0.00 C ATOM 1625 C PHE A 103 1.174 -9.406 16.978 1.00 0.00 C ATOM 1626 O PHE A 103 1.370 -10.527 17.444 1.00 0.00 O ATOM 1627 CB PHE A 103 -1.320 -9.048 16.963 1.00 0.00 C ATOM 1628 CG PHE A 103 -1.586 -10.502 17.242 1.00 0.00 C ATOM 1629 CD1 PHE A 103 -1.928 -10.929 18.513 1.00 0.00 C ATOM 1630 CD2 PHE A 103 -1.499 -11.442 16.226 1.00 0.00 C ATOM 1631 CE1 PHE A 103 -2.177 -12.264 18.766 1.00 0.00 C ATOM 1632 CE2 PHE A 103 -1.746 -12.777 16.475 1.00 0.00 C ATOM 1633 CZ PHE A 103 -2.085 -13.188 17.747 1.00 0.00 C ATOM 0 H PHE A 103 -0.333 -6.887 16.236 1.00 0.00 H new ATOM 0 HA PHE A 103 0.017 -8.564 18.571 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -2.118 -8.455 17.410 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -1.366 -8.885 15.886 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -2.001 -10.211 19.316 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -1.235 -11.126 15.228 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -2.444 -12.584 19.762 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -1.674 -13.499 15.675 1.00 0.00 H new ATOM 0 HZ PHE A 103 -2.278 -14.232 17.945 1.00 0.00 H new ATOM 1643 N GLY A 104 1.940 -8.872 16.036 1.00 0.00 N ATOM 1644 CA GLY A 104 3.048 -9.614 15.469 1.00 0.00 C ATOM 1645 C GLY A 104 2.722 -10.138 14.091 1.00 0.00 C ATOM 1646 O GLY A 104 3.534 -10.813 13.463 1.00 0.00 O ATOM 0 H GLY A 104 1.813 -7.935 15.654 1.00 0.00 H new ATOM 0 HA2 GLY A 104 3.927 -8.971 15.416 1.00 0.00 H new ATOM 0 HA3 GLY A 104 3.302 -10.447 16.125 1.00 0.00 H new ATOM 1650 N GLN A 105 1.527 -9.817 13.622 1.00 0.00 N ATOM 1651 CA GLN A 105 1.079 -10.258 12.316 1.00 0.00 C ATOM 1652 C GLN A 105 1.666 -9.369 11.228 1.00 0.00 C ATOM 1653 O GLN A 105 1.534 -8.147 11.279 1.00 0.00 O ATOM 1654 CB GLN A 105 -0.446 -10.222 12.240 1.00 0.00 C ATOM 1655 CG GLN A 105 -1.006 -10.884 10.991 1.00 0.00 C ATOM 1656 CD GLN A 105 -1.105 -12.392 11.126 1.00 0.00 C ATOM 1657 OE1 GLN A 105 -2.138 -12.917 11.541 1.00 0.00 O ATOM 1658 NE2 GLN A 105 -0.035 -13.100 10.790 1.00 0.00 N ATOM 0 H GLN A 105 0.849 -9.250 14.131 1.00 0.00 H new ATOM 0 HA GLN A 105 1.420 -11.282 12.162 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -0.858 -10.717 13.120 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -0.779 -9.185 12.273 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -1.994 -10.476 10.780 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -0.372 -10.640 10.139 1.00 0.00 H new ATOM 0 HE21 GLN A 105 0.803 -12.628 10.450 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -0.050 -14.117 10.872 1.00 0.00 H new ATOM 1667 N LEU A 106 2.325 -9.982 10.262 1.00 0.00 N ATOM 1668 CA LEU A 106 2.873 -9.259 9.130 1.00 0.00 C ATOM 1669 C LEU A 106 2.422 -9.909 7.828 1.00 0.00 C ATOM 1670 O LEU A 106 2.754 -11.065 7.552 1.00 0.00 O ATOM 1671 CB LEU A 106 4.402 -9.229 9.213 1.00 0.00 C ATOM 1672 CG LEU A 106 5.119 -8.608 8.010 1.00 0.00 C ATOM 1673 CD1 LEU A 106 4.726 -7.150 7.829 1.00 0.00 C ATOM 1674 CD2 LEU A 106 6.622 -8.730 8.178 1.00 0.00 C ATOM 0 H LEU A 106 2.494 -10.988 10.240 1.00 0.00 H new ATOM 0 HA LEU A 106 2.505 -8.233 9.153 1.00 0.00 H new ATOM 0 HB2 LEU A 106 4.688 -8.677 10.108 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.761 -10.250 9.340 1.00 0.00 H new ATOM 0 HG LEU A 106 4.815 -9.152 7.116 1.00 0.00 H new ATOM 0 HD11 LEU A 106 5.251 -6.736 6.968 1.00 0.00 H new ATOM 0 HD12 LEU A 106 3.650 -7.081 7.667 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.995 -6.587 8.723 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.122 -8.285 7.317 1.00 0.00 H new ATOM 0 HD22 LEU A 106 6.930 -8.210 9.085 1.00 0.00 H new ATOM 0 HD23 LEU A 106 6.896 -9.782 8.253 1.00 0.00 H new ATOM 1686 N GLN A 107 1.656 -9.167 7.043 1.00 0.00 N ATOM 1687 CA GLN A 107 1.186 -9.656 5.756 1.00 0.00 C ATOM 1688 C GLN A 107 1.805 -8.824 4.644 1.00 0.00 C ATOM 1689 O GLN A 107 1.592 -7.612 4.576 1.00 0.00 O ATOM 1690 CB GLN A 107 -0.344 -9.585 5.659 1.00 0.00 C ATOM 1691 CG GLN A 107 -0.921 -10.485 4.573 1.00 0.00 C ATOM 1692 CD GLN A 107 -2.359 -10.156 4.218 1.00 0.00 C ATOM 1693 OE1 GLN A 107 -3.300 -10.654 4.835 1.00 0.00 O ATOM 1694 NE2 GLN A 107 -2.538 -9.338 3.193 1.00 0.00 N ATOM 0 H GLN A 107 1.346 -8.223 7.275 1.00 0.00 H new ATOM 0 HA GLN A 107 1.485 -10.699 5.655 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -0.776 -9.864 6.620 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -0.641 -8.555 5.464 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -0.305 -10.401 3.677 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -0.864 -11.522 4.903 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -1.732 -8.945 2.707 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -3.482 -9.100 2.889 1.00 0.00 H new ATOM 1703 N GLN A 108 2.582 -9.465 3.786 1.00 0.00 N ATOM 1704 CA GLN A 108 3.211 -8.764 2.682 1.00 0.00 C ATOM 1705 C GLN A 108 2.396 -8.933 1.410 1.00 0.00 C ATOM 1706 O GLN A 108 1.756 -9.964 1.199 1.00 0.00 O ATOM 1707 CB GLN A 108 4.666 -9.230 2.478 1.00 0.00 C ATOM 1708 CG GLN A 108 4.844 -10.718 2.186 1.00 0.00 C ATOM 1709 CD GLN A 108 4.564 -11.094 0.737 1.00 0.00 C ATOM 1710 OE1 GLN A 108 4.764 -10.295 -0.179 1.00 0.00 O ATOM 1711 NE2 GLN A 108 4.115 -12.319 0.518 1.00 0.00 N ATOM 0 H GLN A 108 2.790 -10.462 3.833 1.00 0.00 H new ATOM 0 HA GLN A 108 3.241 -7.703 2.929 1.00 0.00 H new ATOM 0 HB2 GLN A 108 5.099 -8.662 1.655 1.00 0.00 H new ATOM 0 HB3 GLN A 108 5.237 -8.982 3.372 1.00 0.00 H new ATOM 0 HG2 GLN A 108 5.864 -11.009 2.437 1.00 0.00 H new ATOM 0 HG3 GLN A 108 4.180 -11.289 2.835 1.00 0.00 H new ATOM 0 HE21 GLN A 108 3.961 -12.953 1.302 1.00 0.00 H new ATOM 0 HE22 GLN A 108 3.923 -12.629 -0.435 1.00 0.00 H new ATOM 1720 N LEU A 109 2.401 -7.904 0.588 1.00 0.00 N ATOM 1721 CA LEU A 109 1.728 -7.942 -0.694 1.00 0.00 C ATOM 1722 C LEU A 109 2.640 -7.361 -1.759 1.00 0.00 C ATOM 1723 O LEU A 109 2.982 -6.178 -1.716 1.00 0.00 O ATOM 1724 CB LEU A 109 0.412 -7.158 -0.646 1.00 0.00 C ATOM 1725 CG LEU A 109 -0.681 -7.755 0.247 1.00 0.00 C ATOM 1726 CD1 LEU A 109 -1.888 -6.831 0.298 1.00 0.00 C ATOM 1727 CD2 LEU A 109 -1.090 -9.130 -0.258 1.00 0.00 C ATOM 0 H LEU A 109 2.870 -7.021 0.789 1.00 0.00 H new ATOM 0 HA LEU A 109 1.495 -8.979 -0.936 1.00 0.00 H new ATOM 0 HB2 LEU A 109 0.625 -6.146 -0.302 1.00 0.00 H new ATOM 0 HB3 LEU A 109 0.022 -7.074 -1.660 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.281 -7.861 1.255 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -2.655 -7.269 0.936 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.589 -5.864 0.702 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.286 -6.697 -0.708 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -1.867 -9.539 0.388 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -1.472 -9.045 -1.275 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -0.225 -9.793 -0.249 1.00 0.00 H new ATOM 1739 N THR A 110 3.055 -8.192 -2.697 1.00 0.00 N ATOM 1740 CA THR A 110 3.929 -7.744 -3.761 1.00 0.00 C ATOM 1741 C THR A 110 3.106 -7.357 -4.983 1.00 0.00 C ATOM 1742 O THR A 110 2.481 -8.204 -5.621 1.00 0.00 O ATOM 1743 CB THR A 110 4.944 -8.836 -4.141 1.00 0.00 C ATOM 1744 OG1 THR A 110 5.632 -9.292 -2.965 1.00 0.00 O ATOM 1745 CG2 THR A 110 5.955 -8.311 -5.153 1.00 0.00 C ATOM 0 H THR A 110 2.801 -9.179 -2.742 1.00 0.00 H new ATOM 0 HA THR A 110 4.480 -6.874 -3.403 1.00 0.00 H new ATOM 0 HB THR A 110 4.401 -9.666 -4.593 1.00 0.00 H new ATOM 0 HG1 THR A 110 6.276 -9.988 -3.212 1.00 0.00 H new ATOM 0 HG21 THR A 110 6.661 -9.102 -5.405 1.00 0.00 H new ATOM 0 HG22 THR A 110 5.434 -7.989 -6.054 1.00 0.00 H new ATOM 0 HG23 THR A 110 6.494 -7.466 -4.724 1.00 0.00 H new ATOM 1753 N PHE A 111 3.103 -6.074 -5.301 1.00 0.00 N ATOM 1754 CA PHE A 111 2.345 -5.581 -6.434 1.00 0.00 C ATOM 1755 C PHE A 111 3.250 -5.405 -7.642 1.00 0.00 C ATOM 1756 O PHE A 111 4.219 -4.644 -7.600 1.00 0.00 O ATOM 1757 CB PHE A 111 1.657 -4.258 -6.091 1.00 0.00 C ATOM 1758 CG PHE A 111 0.580 -4.384 -5.050 1.00 0.00 C ATOM 1759 CD1 PHE A 111 -0.708 -4.748 -5.409 1.00 0.00 C ATOM 1760 CD2 PHE A 111 0.853 -4.133 -3.716 1.00 0.00 C ATOM 1761 CE1 PHE A 111 -1.703 -4.860 -4.458 1.00 0.00 C ATOM 1762 CE2 PHE A 111 -0.137 -4.244 -2.759 1.00 0.00 C ATOM 1763 CZ PHE A 111 -1.418 -4.608 -3.130 1.00 0.00 C ATOM 0 H PHE A 111 3.617 -5.356 -4.790 1.00 0.00 H new ATOM 0 HA PHE A 111 1.577 -6.316 -6.676 1.00 0.00 H new ATOM 0 HB2 PHE A 111 2.407 -3.550 -5.740 1.00 0.00 H new ATOM 0 HB3 PHE A 111 1.224 -3.839 -6.999 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -0.937 -4.947 -6.446 1.00 0.00 H new ATOM 0 HD2 PHE A 111 1.852 -3.847 -3.420 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.703 -5.144 -4.752 1.00 0.00 H new ATOM 0 HE2 PHE A 111 0.090 -4.047 -1.722 1.00 0.00 H new ATOM 0 HZ PHE A 111 -2.194 -4.695 -2.384 1.00 0.00 H new ATOM 1773 N SER A 112 2.939 -6.127 -8.705 1.00 0.00 N ATOM 1774 CA SER A 112 3.693 -6.033 -9.940 1.00 0.00 C ATOM 1775 C SER A 112 2.887 -5.248 -10.972 1.00 0.00 C ATOM 1776 O SER A 112 1.880 -5.734 -11.486 1.00 0.00 O ATOM 1777 CB SER A 112 4.005 -7.440 -10.458 1.00 0.00 C ATOM 1778 OG SER A 112 4.478 -8.275 -9.406 1.00 0.00 O ATOM 0 H SER A 112 2.163 -6.789 -8.735 1.00 0.00 H new ATOM 0 HA SER A 112 4.632 -5.511 -9.759 1.00 0.00 H new ATOM 0 HB2 SER A 112 3.109 -7.876 -10.899 1.00 0.00 H new ATOM 0 HB3 SER A 112 4.754 -7.383 -11.248 1.00 0.00 H new ATOM 0 HG SER A 112 4.669 -9.169 -9.759 1.00 0.00 H new ATOM 1784 N PHE A 113 3.320 -4.030 -11.256 1.00 0.00 N ATOM 1785 CA PHE A 113 2.604 -3.160 -12.177 1.00 0.00 C ATOM 1786 C PHE A 113 3.277 -3.141 -13.541 1.00 0.00 C ATOM 1787 O PHE A 113 4.508 -3.182 -13.635 1.00 0.00 O ATOM 1788 CB PHE A 113 2.521 -1.740 -11.618 1.00 0.00 C ATOM 1789 CG PHE A 113 1.750 -1.636 -10.332 1.00 0.00 C ATOM 1790 CD1 PHE A 113 0.366 -1.682 -10.337 1.00 0.00 C ATOM 1791 CD2 PHE A 113 2.408 -1.481 -9.123 1.00 0.00 C ATOM 1792 CE1 PHE A 113 -0.349 -1.572 -9.160 1.00 0.00 C ATOM 1793 CE2 PHE A 113 1.698 -1.374 -7.941 1.00 0.00 C ATOM 1794 CZ PHE A 113 0.317 -1.419 -7.961 1.00 0.00 C ATOM 0 H PHE A 113 4.166 -3.620 -10.861 1.00 0.00 H new ATOM 0 HA PHE A 113 1.595 -3.554 -12.294 1.00 0.00 H new ATOM 0 HB2 PHE A 113 3.531 -1.364 -11.456 1.00 0.00 H new ATOM 0 HB3 PHE A 113 2.056 -1.094 -12.362 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -0.161 -1.805 -11.272 1.00 0.00 H new ATOM 0 HD2 PHE A 113 3.487 -1.443 -9.103 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -1.428 -1.606 -9.178 1.00 0.00 H new ATOM 0 HE2 PHE A 113 2.222 -1.255 -7.004 1.00 0.00 H new ATOM 0 HZ PHE A 113 -0.240 -1.335 -7.040 1.00 0.00 H new ATOM 1804 N ASN A 114 2.449 -3.061 -14.583 1.00 0.00 N ATOM 1805 CA ASN A 114 2.903 -3.109 -15.970 1.00 0.00 C ATOM 1806 C ASN A 114 3.549 -4.458 -16.263 1.00 0.00 C ATOM 1807 O ASN A 114 4.770 -4.608 -16.164 1.00 0.00 O ATOM 1808 CB ASN A 114 3.866 -1.955 -16.286 1.00 0.00 C ATOM 1809 CG ASN A 114 4.125 -1.795 -17.776 1.00 0.00 C ATOM 1810 OD1 ASN A 114 4.122 -2.764 -18.536 1.00 0.00 O ATOM 1811 ND2 ASN A 114 4.349 -0.565 -18.208 1.00 0.00 N ATOM 0 H ASN A 114 1.439 -2.960 -14.486 1.00 0.00 H new ATOM 0 HA ASN A 114 2.034 -2.991 -16.618 1.00 0.00 H new ATOM 0 HB2 ASN A 114 3.454 -1.026 -15.892 1.00 0.00 H new ATOM 0 HB3 ASN A 114 4.813 -2.127 -15.774 1.00 0.00 H new ATOM 0 HD21 ASN A 114 4.526 -0.397 -19.198 1.00 0.00 H new ATOM 0 HD22 ASN A 114 4.344 0.215 -17.551 1.00 0.00 H new ATOM 1818 N ASN A 115 2.696 -5.432 -16.604 1.00 0.00 N ATOM 1819 CA ASN A 115 3.113 -6.813 -16.867 1.00 0.00 C ATOM 1820 C ASN A 115 3.500 -7.506 -15.559 1.00 0.00 C ATOM 1821 O ASN A 115 4.225 -6.947 -14.735 1.00 0.00 O ATOM 1822 CB ASN A 115 4.276 -6.858 -17.872 1.00 0.00 C ATOM 1823 CG ASN A 115 4.519 -8.242 -18.454 1.00 0.00 C ATOM 1824 OD1 ASN A 115 4.206 -9.263 -17.843 1.00 0.00 O ATOM 1825 ND2 ASN A 115 5.087 -8.285 -19.650 1.00 0.00 N ATOM 0 H ASN A 115 1.692 -5.282 -16.705 1.00 0.00 H new ATOM 0 HA ASN A 115 2.271 -7.347 -17.309 1.00 0.00 H new ATOM 0 HB2 ASN A 115 4.071 -6.161 -18.685 1.00 0.00 H new ATOM 0 HB3 ASN A 115 5.186 -6.514 -17.379 1.00 0.00 H new ATOM 0 HD21 ASN A 115 5.278 -9.184 -20.092 1.00 0.00 H new ATOM 0 HD22 ASN A 115 5.334 -7.419 -20.129 1.00 0.00 H new ATOM 1832 N ASP A 116 2.989 -8.714 -15.357 1.00 0.00 N ATOM 1833 CA ASP A 116 3.327 -9.490 -14.172 1.00 0.00 C ATOM 1834 C ASP A 116 4.768 -9.972 -14.278 1.00 0.00 C ATOM 1835 O ASP A 116 5.030 -11.043 -14.833 1.00 0.00 O ATOM 1836 CB ASP A 116 2.379 -10.683 -14.004 1.00 0.00 C ATOM 1837 CG ASP A 116 2.640 -11.466 -12.728 1.00 0.00 C ATOM 1838 OD1 ASP A 116 3.510 -12.363 -12.738 1.00 0.00 O ATOM 1839 OD2 ASP A 116 1.964 -11.203 -11.713 1.00 0.00 O ATOM 0 H ASP A 116 2.342 -9.176 -15.996 1.00 0.00 H new ATOM 0 HA ASP A 116 3.219 -8.853 -13.294 1.00 0.00 H new ATOM 0 HB2 ASP A 116 1.349 -10.326 -14.002 1.00 0.00 H new ATOM 0 HB3 ASP A 116 2.484 -11.348 -14.861 1.00 0.00 H new ATOM 1844 N SER A 117 5.684 -9.136 -13.776 1.00 0.00 N ATOM 1845 CA SER A 117 7.135 -9.345 -13.858 1.00 0.00 C ATOM 1846 C SER A 117 7.616 -9.452 -15.311 1.00 0.00 C ATOM 1847 O SER A 117 6.826 -9.610 -16.241 1.00 0.00 O ATOM 1848 CB SER A 117 7.591 -10.563 -13.029 1.00 0.00 C ATOM 1849 OG SER A 117 7.019 -11.775 -13.488 1.00 0.00 O ATOM 0 H SER A 117 5.432 -8.275 -13.290 1.00 0.00 H new ATOM 0 HA SER A 117 7.602 -8.462 -13.422 1.00 0.00 H new ATOM 0 HB2 SER A 117 8.678 -10.640 -13.069 1.00 0.00 H new ATOM 0 HB3 SER A 117 7.320 -10.410 -11.984 1.00 0.00 H new ATOM 0 HG SER A 117 6.509 -11.606 -14.308 1.00 0.00 H new ATOM 1855 N SER A 118 8.921 -9.338 -15.508 1.00 0.00 N ATOM 1856 CA SER A 118 9.499 -9.449 -16.837 1.00 0.00 C ATOM 1857 C SER A 118 9.632 -10.918 -17.242 1.00 0.00 C ATOM 1858 O SER A 118 10.725 -11.412 -17.529 1.00 0.00 O ATOM 1859 CB SER A 118 10.852 -8.731 -16.873 1.00 0.00 C ATOM 1860 OG SER A 118 11.556 -8.909 -15.652 1.00 0.00 O ATOM 0 H SER A 118 9.598 -9.169 -14.764 1.00 0.00 H new ATOM 0 HA SER A 118 8.838 -8.970 -17.560 1.00 0.00 H new ATOM 0 HB2 SER A 118 11.449 -9.114 -17.700 1.00 0.00 H new ATOM 0 HB3 SER A 118 10.699 -7.668 -17.057 1.00 0.00 H new ATOM 0 HG SER A 118 11.212 -8.282 -14.982 1.00 0.00 H new ATOM 1866 N LYS A 119 8.501 -11.611 -17.263 1.00 0.00 N ATOM 1867 CA LYS A 119 8.479 -13.025 -17.575 1.00 0.00 C ATOM 1868 C LYS A 119 8.451 -13.237 -19.086 1.00 0.00 C ATOM 1869 O LYS A 119 7.388 -13.380 -19.697 1.00 0.00 O ATOM 1870 CB LYS A 119 7.275 -13.698 -16.914 1.00 0.00 C ATOM 1871 CG LYS A 119 7.292 -15.215 -17.003 1.00 0.00 C ATOM 1872 CD LYS A 119 6.061 -15.840 -16.352 1.00 0.00 C ATOM 1873 CE LYS A 119 4.804 -15.675 -17.205 1.00 0.00 C ATOM 1874 NZ LYS A 119 4.289 -14.278 -17.225 1.00 0.00 N ATOM 0 H LYS A 119 7.584 -11.210 -17.066 1.00 0.00 H new ATOM 0 HA LYS A 119 9.387 -13.482 -17.181 1.00 0.00 H new ATOM 0 HB2 LYS A 119 7.239 -13.406 -15.865 1.00 0.00 H new ATOM 0 HB3 LYS A 119 6.362 -13.327 -17.380 1.00 0.00 H new ATOM 0 HG2 LYS A 119 7.341 -15.516 -18.049 1.00 0.00 H new ATOM 0 HG3 LYS A 119 8.191 -15.596 -16.519 1.00 0.00 H new ATOM 0 HD2 LYS A 119 6.243 -16.901 -16.180 1.00 0.00 H new ATOM 0 HD3 LYS A 119 5.897 -15.382 -15.376 1.00 0.00 H new ATOM 0 HE2 LYS A 119 5.021 -15.990 -18.226 1.00 0.00 H new ATOM 0 HE3 LYS A 119 4.026 -16.337 -16.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 3.250 -14.290 -17.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 4.667 -13.757 -16.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 4.590 -13.810 -18.103 1.00 0.00 H new ATOM 1888 N GLU A 120 9.627 -13.206 -19.683 1.00 0.00 N ATOM 1889 CA GLU A 120 9.781 -13.460 -21.105 1.00 0.00 C ATOM 1890 C GLU A 120 10.618 -14.716 -21.294 1.00 0.00 C ATOM 1891 O GLU A 120 10.722 -15.530 -20.373 1.00 0.00 O ATOM 1892 CB GLU A 120 10.457 -12.267 -21.789 1.00 0.00 C ATOM 1893 CG GLU A 120 9.722 -10.952 -21.592 1.00 0.00 C ATOM 1894 CD GLU A 120 10.372 -9.807 -22.339 1.00 0.00 C ATOM 1895 OE1 GLU A 120 10.030 -9.595 -23.521 1.00 0.00 O ATOM 1896 OE2 GLU A 120 11.231 -9.116 -21.750 1.00 0.00 O ATOM 0 H GLU A 120 10.502 -13.005 -19.198 1.00 0.00 H new ATOM 0 HA GLU A 120 8.800 -13.602 -21.558 1.00 0.00 H new ATOM 0 HB2 GLU A 120 11.472 -12.167 -21.405 1.00 0.00 H new ATOM 0 HB3 GLU A 120 10.539 -12.471 -22.857 1.00 0.00 H new ATOM 0 HG2 GLU A 120 8.691 -11.062 -21.928 1.00 0.00 H new ATOM 0 HG3 GLU A 120 9.687 -10.715 -20.529 1.00 0.00 H new ATOM 1903 N GLU A 121 11.192 -14.885 -22.480 1.00 0.00 N ATOM 1904 CA GLU A 121 12.144 -15.962 -22.708 1.00 0.00 C ATOM 1905 C GLU A 121 13.320 -15.799 -21.749 1.00 0.00 C ATOM 1906 O GLU A 121 14.104 -14.854 -21.846 1.00 0.00 O ATOM 1907 CB GLU A 121 12.581 -15.981 -24.171 1.00 0.00 C ATOM 1908 CG GLU A 121 11.483 -16.505 -25.086 1.00 0.00 C ATOM 1909 CD GLU A 121 11.694 -16.178 -26.548 1.00 0.00 C ATOM 1910 OE1 GLU A 121 12.351 -16.972 -27.257 1.00 0.00 O ATOM 1911 OE2 GLU A 121 11.156 -15.148 -27.008 1.00 0.00 O ATOM 0 H GLU A 121 11.015 -14.294 -23.292 1.00 0.00 H new ATOM 0 HA GLU A 121 11.678 -16.927 -22.508 1.00 0.00 H new ATOM 0 HB2 GLU A 121 12.860 -14.973 -24.479 1.00 0.00 H new ATOM 0 HB3 GLU A 121 13.469 -16.604 -24.276 1.00 0.00 H new ATOM 0 HG2 GLU A 121 11.415 -17.587 -24.972 1.00 0.00 H new ATOM 0 HG3 GLU A 121 10.528 -16.090 -24.765 1.00 0.00 H new ATOM 1918 N GLU A 122 13.412 -16.733 -20.818 1.00 0.00 N ATOM 1919 CA GLU A 122 14.196 -16.556 -19.609 1.00 0.00 C ATOM 1920 C GLU A 122 15.597 -17.150 -19.748 1.00 0.00 C ATOM 1921 O GLU A 122 15.758 -18.354 -19.954 1.00 0.00 O ATOM 1922 CB GLU A 122 13.438 -17.210 -18.448 1.00 0.00 C ATOM 1923 CG GLU A 122 13.826 -16.718 -17.065 1.00 0.00 C ATOM 1924 CD GLU A 122 15.251 -17.055 -16.706 1.00 0.00 C ATOM 1925 OE1 GLU A 122 15.542 -18.244 -16.457 1.00 0.00 O ATOM 1926 OE2 GLU A 122 16.087 -16.132 -16.682 1.00 0.00 O ATOM 0 H GLU A 122 12.944 -17.637 -20.880 1.00 0.00 H new ATOM 0 HA GLU A 122 14.330 -15.491 -19.420 1.00 0.00 H new ATOM 0 HB2 GLU A 122 12.371 -17.041 -18.590 1.00 0.00 H new ATOM 0 HB3 GLU A 122 13.598 -18.287 -18.491 1.00 0.00 H new ATOM 0 HG2 GLU A 122 13.689 -15.638 -17.017 1.00 0.00 H new ATOM 0 HG3 GLU A 122 13.156 -17.158 -16.326 1.00 0.00 H new ATOM 1933 N LEU A 123 16.605 -16.293 -19.620 1.00 0.00 N ATOM 1934 CA LEU A 123 17.996 -16.728 -19.645 1.00 0.00 C ATOM 1935 C LEU A 123 18.882 -15.783 -18.832 1.00 0.00 C ATOM 1936 O LEU A 123 20.102 -15.772 -18.990 1.00 0.00 O ATOM 1937 CB LEU A 123 18.492 -16.833 -21.100 1.00 0.00 C ATOM 1938 CG LEU A 123 18.106 -15.676 -22.037 1.00 0.00 C ATOM 1939 CD1 LEU A 123 18.893 -14.412 -21.718 1.00 0.00 C ATOM 1940 CD2 LEU A 123 18.318 -16.082 -23.486 1.00 0.00 C ATOM 0 H LEU A 123 16.483 -15.288 -19.497 1.00 0.00 H new ATOM 0 HA LEU A 123 18.058 -17.714 -19.185 1.00 0.00 H new ATOM 0 HB2 LEU A 123 19.579 -16.914 -21.086 1.00 0.00 H new ATOM 0 HB3 LEU A 123 18.109 -17.760 -21.526 1.00 0.00 H new ATOM 0 HG LEU A 123 17.050 -15.456 -21.880 1.00 0.00 H new ATOM 0 HD11 LEU A 123 18.594 -13.616 -22.400 1.00 0.00 H new ATOM 0 HD12 LEU A 123 18.690 -14.106 -20.692 1.00 0.00 H new ATOM 0 HD13 LEU A 123 19.959 -14.608 -21.834 1.00 0.00 H new ATOM 0 HD21 LEU A 123 18.041 -15.255 -24.140 1.00 0.00 H new ATOM 0 HD22 LEU A 123 19.367 -16.334 -23.644 1.00 0.00 H new ATOM 0 HD23 LEU A 123 17.698 -16.949 -23.715 1.00 0.00 H new ATOM 1952 N GLU A 124 18.273 -15.023 -17.928 1.00 0.00 N ATOM 1953 CA GLU A 124 19.004 -13.983 -17.206 1.00 0.00 C ATOM 1954 C GLU A 124 18.545 -13.842 -15.753 1.00 0.00 C ATOM 1955 O GLU A 124 19.339 -13.497 -14.883 1.00 0.00 O ATOM 1956 CB GLU A 124 18.879 -12.636 -17.925 1.00 0.00 C ATOM 1957 CG GLU A 124 17.450 -12.251 -18.271 1.00 0.00 C ATOM 1958 CD GLU A 124 17.336 -10.818 -18.740 1.00 0.00 C ATOM 1959 OE1 GLU A 124 18.118 -10.416 -19.629 1.00 0.00 O ATOM 1960 OE2 GLU A 124 16.484 -10.079 -18.201 1.00 0.00 O ATOM 0 H GLU A 124 17.287 -15.104 -17.678 1.00 0.00 H new ATOM 0 HA GLU A 124 20.049 -14.291 -17.190 1.00 0.00 H new ATOM 0 HB2 GLU A 124 19.312 -11.858 -17.296 1.00 0.00 H new ATOM 0 HB3 GLU A 124 19.468 -12.669 -18.842 1.00 0.00 H new ATOM 0 HG2 GLU A 124 17.076 -12.916 -19.049 1.00 0.00 H new ATOM 0 HG3 GLU A 124 16.816 -12.396 -17.396 1.00 0.00 H new ATOM 1967 N HIS A 125 17.275 -14.114 -15.482 1.00 0.00 N ATOM 1968 CA HIS A 125 16.748 -13.978 -14.126 1.00 0.00 C ATOM 1969 C HIS A 125 16.971 -15.276 -13.367 1.00 0.00 C ATOM 1970 O HIS A 125 17.253 -15.264 -12.170 1.00 0.00 O ATOM 1971 CB HIS A 125 15.258 -13.607 -14.142 1.00 0.00 C ATOM 1972 CG HIS A 125 14.977 -12.264 -14.747 1.00 0.00 C ATOM 1973 ND1 HIS A 125 14.905 -11.880 -16.042 1.00 0.00 N flip ATOM 1974 CD2 HIS A 125 14.742 -11.127 -14.002 1.00 0.00 C flip ATOM 1975 CE1 HIS A 125 14.638 -10.535 -16.063 1.00 0.00 C flip ATOM 1976 NE2 HIS A 125 14.541 -10.106 -14.817 1.00 0.00 N flip ATOM 0 H HIS A 125 16.595 -14.427 -16.174 1.00 0.00 H new ATOM 0 HA HIS A 125 17.279 -13.170 -13.623 1.00 0.00 H new ATOM 0 HB2 HIS A 125 14.709 -14.368 -14.697 1.00 0.00 H new ATOM 0 HB3 HIS A 125 14.878 -13.622 -13.120 1.00 0.00 H new ATOM 0 HD2 HIS A 125 14.725 -11.079 -12.923 1.00 0.00 H new ATOM 0 HE1 HIS A 125 14.526 -9.928 -16.949 1.00 0.00 H new ATOM 0 HE2 HIS A 125 14.344 -9.147 -14.532 1.00 0.00 H new ATOM 1985 N HIS A 126 16.844 -16.383 -14.096 1.00 0.00 N ATOM 1986 CA HIS A 126 17.156 -17.728 -13.605 1.00 0.00 C ATOM 1987 C HIS A 126 16.261 -18.168 -12.447 1.00 0.00 C ATOM 1988 O HIS A 126 15.347 -18.966 -12.648 1.00 0.00 O ATOM 1989 CB HIS A 126 18.634 -17.833 -13.215 1.00 0.00 C ATOM 1990 CG HIS A 126 19.571 -17.608 -14.366 1.00 0.00 C ATOM 1991 ND1 HIS A 126 20.442 -16.543 -14.435 1.00 0.00 N ATOM 1992 CD2 HIS A 126 19.765 -18.323 -15.499 1.00 0.00 C ATOM 1993 CE1 HIS A 126 21.129 -16.611 -15.560 1.00 0.00 C ATOM 1994 NE2 HIS A 126 20.739 -17.683 -16.223 1.00 0.00 N ATOM 0 H HIS A 126 16.516 -16.373 -15.062 1.00 0.00 H new ATOM 0 HA HIS A 126 16.954 -18.412 -14.430 1.00 0.00 H new ATOM 0 HB2 HIS A 126 18.849 -17.104 -12.433 1.00 0.00 H new ATOM 0 HB3 HIS A 126 18.821 -18.820 -12.791 1.00 0.00 H new ATOM 0 HD2 HIS A 126 19.249 -19.229 -15.781 1.00 0.00 H new ATOM 0 HE1 HIS A 126 21.883 -15.908 -15.883 1.00 0.00 H new ATOM 0 HE2 HIS A 126 21.102 -17.986 -17.126 1.00 0.00 H new ATOM 2003 N HIS A 127 16.528 -17.645 -11.250 1.00 0.00 N ATOM 2004 CA HIS A 127 15.864 -18.093 -10.020 1.00 0.00 C ATOM 2005 C HIS A 127 16.212 -19.551 -9.738 1.00 0.00 C ATOM 2006 O HIS A 127 17.203 -19.849 -9.076 1.00 0.00 O ATOM 2007 CB HIS A 127 14.337 -17.940 -10.089 1.00 0.00 C ATOM 2008 CG HIS A 127 13.840 -16.528 -10.120 1.00 0.00 C ATOM 2009 ND1 HIS A 127 13.792 -15.730 -9.005 1.00 0.00 N ATOM 2010 CD2 HIS A 127 13.337 -15.786 -11.134 1.00 0.00 C ATOM 2011 CE1 HIS A 127 13.273 -14.562 -9.324 1.00 0.00 C ATOM 2012 NE2 HIS A 127 12.985 -14.563 -10.614 1.00 0.00 N ATOM 0 H HIS A 127 17.209 -16.900 -11.103 1.00 0.00 H new ATOM 0 HA HIS A 127 16.226 -17.456 -9.213 1.00 0.00 H new ATOM 0 HB2 HIS A 127 13.976 -18.455 -10.979 1.00 0.00 H new ATOM 0 HB3 HIS A 127 13.898 -18.444 -9.228 1.00 0.00 H new ATOM 0 HD2 HIS A 127 13.232 -16.097 -12.163 1.00 0.00 H new ATOM 0 HE1 HIS A 127 13.110 -13.739 -8.644 1.00 0.00 H new ATOM 0 HE2 HIS A 127 12.572 -13.789 -11.135 1.00 0.00 H new ATOM 2021 N HIS A 128 15.391 -20.448 -10.259 1.00 0.00 N ATOM 2022 CA HIS A 128 15.630 -21.879 -10.171 1.00 0.00 C ATOM 2023 C HIS A 128 14.918 -22.561 -11.327 1.00 0.00 C ATOM 2024 O HIS A 128 14.158 -23.512 -11.147 1.00 0.00 O ATOM 2025 CB HIS A 128 15.177 -22.441 -8.812 1.00 0.00 C ATOM 2026 CG HIS A 128 13.775 -22.086 -8.414 1.00 0.00 C ATOM 2027 ND1 HIS A 128 13.482 -21.029 -7.583 1.00 0.00 N ATOM 2028 CD2 HIS A 128 12.588 -22.661 -8.717 1.00 0.00 C ATOM 2029 CE1 HIS A 128 12.182 -20.970 -7.390 1.00 0.00 C ATOM 2030 NE2 HIS A 128 11.613 -21.947 -8.067 1.00 0.00 N ATOM 0 H HIS A 128 14.536 -20.203 -10.757 1.00 0.00 H new ATOM 0 HA HIS A 128 16.700 -22.076 -10.242 1.00 0.00 H new ATOM 0 HB2 HIS A 128 15.268 -23.527 -8.837 1.00 0.00 H new ATOM 0 HB3 HIS A 128 15.859 -22.082 -8.042 1.00 0.00 H new ATOM 0 HD2 HIS A 128 12.436 -23.521 -9.352 1.00 0.00 H new ATOM 0 HE1 HIS A 128 11.667 -20.243 -6.779 1.00 0.00 H new ATOM 0 HE2 HIS A 128 10.612 -22.141 -8.102 1.00 0.00 H new ATOM 2039 N HIS A 129 15.182 -22.038 -12.519 1.00 0.00 N ATOM 2040 CA HIS A 129 14.539 -22.488 -13.747 1.00 0.00 C ATOM 2041 C HIS A 129 14.783 -23.980 -13.983 1.00 0.00 C ATOM 2042 O HIS A 129 15.850 -24.384 -14.444 1.00 0.00 O ATOM 2043 CB HIS A 129 15.076 -21.669 -14.927 1.00 0.00 C ATOM 2044 CG HIS A 129 14.152 -21.600 -16.108 1.00 0.00 C ATOM 2045 ND1 HIS A 129 14.042 -20.479 -16.903 1.00 0.00 N ATOM 2046 CD2 HIS A 129 13.302 -22.514 -16.636 1.00 0.00 C ATOM 2047 CE1 HIS A 129 13.168 -20.708 -17.867 1.00 0.00 C ATOM 2048 NE2 HIS A 129 12.706 -21.936 -17.727 1.00 0.00 N ATOM 0 H HIS A 129 15.854 -21.284 -12.661 1.00 0.00 H new ATOM 0 HA HIS A 129 13.463 -22.338 -13.655 1.00 0.00 H new ATOM 0 HB2 HIS A 129 15.284 -20.655 -14.585 1.00 0.00 H new ATOM 0 HB3 HIS A 129 16.025 -22.098 -15.249 1.00 0.00 H new ATOM 0 HD1 HIS A 129 14.556 -19.608 -16.768 1.00 0.00 H new ATOM 0 HD2 HIS A 129 13.127 -23.513 -16.266 1.00 0.00 H new ATOM 0 HE1 HIS A 129 12.881 -20.009 -18.638 1.00 0.00 H new ATOM 2057 N HIS A 130 13.792 -24.790 -13.644 1.00 0.00 N ATOM 2058 CA HIS A 130 13.869 -26.232 -13.823 1.00 0.00 C ATOM 2059 C HIS A 130 12.542 -26.748 -14.356 1.00 0.00 C ATOM 2060 O HIS A 130 11.645 -27.028 -13.535 1.00 0.00 O ATOM 2061 CB HIS A 130 14.206 -26.942 -12.502 1.00 0.00 C ATOM 2062 CG HIS A 130 15.614 -26.737 -12.022 1.00 0.00 C ATOM 2063 ND1 HIS A 130 16.154 -25.787 -11.222 1.00 0.00 N flip ATOM 2064 CD2 HIS A 130 16.648 -27.586 -12.346 1.00 0.00 C flip ATOM 2065 CE1 HIS A 130 17.487 -26.076 -11.083 1.00 0.00 C flip ATOM 2066 NE2 HIS A 130 17.759 -27.168 -11.771 1.00 0.00 N flip ATOM 2067 OXT HIS A 130 12.385 -26.837 -15.592 1.00 0.00 O ATOM 0 H HIS A 130 12.914 -24.468 -13.238 1.00 0.00 H new ATOM 0 HA HIS A 130 14.666 -26.446 -14.535 1.00 0.00 H new ATOM 0 HB2 HIS A 130 13.519 -26.592 -11.731 1.00 0.00 H new ATOM 0 HB3 HIS A 130 14.030 -28.011 -12.624 1.00 0.00 H new ATOM 0 HD1 HIS A 130 15.660 -25.001 -10.800 1.00 0.00 H new ATOM 0 HD2 HIS A 130 16.563 -28.460 -12.975 1.00 0.00 H new ATOM 0 HE1 HIS A 130 18.198 -25.504 -10.505 1.00 0.00 H new TER 2076 HIS A 130