USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 866 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 84 GLN :FLIP amide:sc= 0.522 F(o=-10!,f=-1.2) USER MOD Set 1.2: A 86 TYR OH : rot 40:sc= -1.73! USER MOD Set 2.1: A 71 ASN : amide:sc= -12.2! C(o=-23!,f=-26!) USER MOD Set 2.2: A 74 HIS : no HE2:sc= -8.34! C(o=-23!,f=-26!) USER MOD Set 2.3: A 75 TYR OH : rot 7:sc= -2.9! USER MOD Set 3.1: A 36 GLN : amide:sc= -11.8! C(o=-13!,f=-16!) USER MOD Set 3.2: A 91 THR OG1 : rot 180:sc= -1.45! USER MOD Set 4.1: A 10 ASN :FLIP amide:sc= -4.08! C(o=-5.2!,f=-4.3!) USER MOD Set 4.2: A 11 HIS :FLIP no HD1:sc= -0.235 F(o=-5.9,f=-4.3) USER MOD Single : A 2 GLN : amide:sc= -5.23! C(o=-5.2!,f=-7.2!) USER MOD Single : A 6 LYS NZ :NH3+ -101:sc= 1.12 (180deg=-1.4) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 22 HIS :FLIP no HD1:sc= 0.00859 F(o=-0.69,f=0.0086) USER MOD Single : A 33 LYS NZ :NH3+ 165:sc= 0.121 (180deg=-0.0154) USER MOD Single : A 44 ASN :FLIP amide:sc= -5.21! C(o=-7!,f=-5.2!) USER MOD Single : A 45 GLN : amide:sc= -1.18 K(o=-1.2,f=-2.9!) USER MOD Single : A 46 ASN : amide:sc= -0.776 K(o=-0.78,f=-1.8) USER MOD Single : A 47 THR OG1 : rot 180:sc= -2.82! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc=-0.00703 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -22:sc= 0.0818 USER MOD Single : A 76 MET CE :methyl 176:sc= -0.197 (180deg=-0.226) USER MOD Single : A 77 LYS NZ :NH3+ -167:sc= -0.136 (180deg=-0.551) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot -124:sc= -4.33! USER MOD Single : A 93 ASN :FLIP amide:sc= -0.795 F(o=-2.5!,f=-0.8) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -166:sc= 0.663 (180deg=-0.224!) USER MOD Single : A 101 SER OG : rot 47:sc= 0.0834 USER MOD Single : A 103 ASN :FLIP amide:sc= -0.737 F(o=-2.7,f=-0.74) USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.118 USER MOD Single : A 109 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00845) USER MOD Single : A 111 MET CE :methyl 169:sc= -1.24! (180deg=-1.44!) USER MOD ----------------------------------------------------------------- ATOM 14 N GLN A 2 -1.826 11.397 9.158 1.00 0.00 N ATOM 15 CA GLN A 2 -1.855 9.949 9.509 1.00 0.00 C ATOM 16 C GLN A 2 -3.295 9.424 9.581 1.00 0.00 C ATOM 17 O GLN A 2 -4.223 10.179 9.786 1.00 0.00 O ATOM 18 CB GLN A 2 -1.207 9.857 10.851 1.00 0.00 C ATOM 19 CG GLN A 2 0.119 9.228 10.675 1.00 0.00 C ATOM 20 CD GLN A 2 1.114 10.225 10.069 1.00 0.00 C ATOM 21 OE1 GLN A 2 0.771 10.963 9.167 1.00 0.00 O ATOM 22 NE2 GLN A 2 2.341 10.280 10.525 1.00 0.00 N ATOM 0 HA GLN A 2 -1.342 9.348 8.758 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -1.103 10.848 11.293 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -1.821 9.267 11.531 1.00 0.00 H new ATOM 0 HG2 GLN A 2 0.490 8.875 11.637 1.00 0.00 H new ATOM 0 HG3 GLN A 2 0.030 8.356 10.028 1.00 0.00 H new ATOM 0 HE21 GLN A 2 2.632 9.662 11.282 1.00 0.00 H new ATOM 0 HE22 GLN A 2 3.005 10.941 10.123 1.00 0.00 H new ATOM 31 N VAL A 3 -3.499 8.138 9.422 1.00 0.00 N ATOM 32 CA VAL A 3 -4.859 7.588 9.490 1.00 0.00 C ATOM 33 C VAL A 3 -4.757 6.197 10.119 1.00 0.00 C ATOM 34 O VAL A 3 -3.673 5.673 10.275 1.00 0.00 O ATOM 35 CB VAL A 3 -5.290 7.447 8.026 1.00 0.00 C ATOM 36 CG1 VAL A 3 -4.757 8.620 7.193 1.00 0.00 C ATOM 37 CG2 VAL A 3 -4.808 6.107 7.424 1.00 0.00 C ATOM 0 H VAL A 3 -2.765 7.452 9.247 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.553 8.200 10.066 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.380 7.459 7.999 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.073 8.503 6.156 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.151 9.556 7.589 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.668 8.635 7.241 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.130 6.038 6.385 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.720 6.057 7.471 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.234 5.279 7.991 1.00 0.00 H new ATOM 47 N ASP A 4 -5.843 5.553 10.414 1.00 0.00 N ATOM 48 CA ASP A 4 -5.713 4.184 10.938 1.00 0.00 C ATOM 49 C ASP A 4 -5.507 3.281 9.790 1.00 0.00 C ATOM 50 O ASP A 4 -5.934 3.533 8.681 1.00 0.00 O ATOM 51 CB ASP A 4 -6.943 3.865 11.809 1.00 0.00 C ATOM 52 CG ASP A 4 -7.340 2.394 11.647 1.00 0.00 C ATOM 53 OD1 ASP A 4 -6.782 1.569 12.353 1.00 0.00 O ATOM 54 OD2 ASP A 4 -8.194 2.117 10.821 1.00 0.00 O ATOM 0 H ASP A 4 -6.794 5.909 10.317 1.00 0.00 H new ATOM 0 HA ASP A 4 -4.852 4.056 11.594 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -6.721 4.076 12.855 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -7.776 4.507 11.524 1.00 0.00 H new ATOM 59 N VAL A 5 -4.680 2.321 10.003 1.00 0.00 N ATOM 60 CA VAL A 5 -4.270 1.538 8.863 1.00 0.00 C ATOM 61 C VAL A 5 -3.675 0.180 9.277 1.00 0.00 C ATOM 62 O VAL A 5 -4.096 -0.849 8.802 1.00 0.00 O ATOM 63 CB VAL A 5 -3.286 2.547 8.323 1.00 0.00 C ATOM 64 CG1 VAL A 5 -1.837 2.114 8.567 1.00 0.00 C ATOM 65 CG2 VAL A 5 -3.538 2.757 6.830 1.00 0.00 C ATOM 0 H VAL A 5 -4.282 2.056 10.904 1.00 0.00 H new ATOM 0 HA VAL A 5 -5.030 1.206 8.156 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.435 3.487 8.854 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.160 2.867 8.164 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.665 2.007 9.638 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.654 1.160 8.073 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.827 3.486 6.440 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -3.413 1.811 6.303 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -4.553 3.124 6.681 1.00 0.00 H new ATOM 75 N LYS A 6 -2.731 0.187 10.188 1.00 0.00 N ATOM 76 CA LYS A 6 -2.106 -1.087 10.697 1.00 0.00 C ATOM 77 C LYS A 6 -0.973 -1.598 9.842 1.00 0.00 C ATOM 78 O LYS A 6 -0.981 -1.605 8.628 1.00 0.00 O ATOM 79 CB LYS A 6 -3.192 -2.141 10.788 1.00 0.00 C ATOM 80 CG LYS A 6 -4.413 -1.593 11.538 1.00 0.00 C ATOM 81 CD LYS A 6 -4.106 -1.528 13.035 1.00 0.00 C ATOM 82 CE LYS A 6 -5.137 -0.637 13.729 1.00 0.00 C ATOM 83 NZ LYS A 6 -4.644 0.753 13.519 1.00 0.00 N ATOM 0 H LYS A 6 -2.357 1.036 10.611 1.00 0.00 H new ATOM 0 HA LYS A 6 -1.668 -0.869 11.671 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -3.485 -2.457 9.787 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.809 -3.023 11.301 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.667 -0.601 11.165 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -5.278 -2.232 11.361 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.127 -2.529 13.465 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.103 -1.133 13.194 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.130 -0.773 13.300 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.213 -0.873 14.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.173 1.088 14.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.968 0.766 12.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.447 1.376 13.298 1.00 0.00 H new ATOM 97 N ASP A 7 -0.005 -2.046 10.561 1.00 0.00 N ATOM 98 CA ASP A 7 1.229 -2.630 10.000 1.00 0.00 C ATOM 99 C ASP A 7 1.071 -4.147 9.897 1.00 0.00 C ATOM 100 O ASP A 7 0.315 -4.748 10.634 1.00 0.00 O ATOM 101 CB ASP A 7 2.224 -2.258 11.062 1.00 0.00 C ATOM 102 CG ASP A 7 3.589 -2.872 10.752 1.00 0.00 C ATOM 103 OD1 ASP A 7 4.246 -2.379 9.850 1.00 0.00 O ATOM 104 OD2 ASP A 7 3.954 -3.823 11.421 1.00 0.00 O ATOM 0 H ASP A 7 -0.019 -2.030 11.581 1.00 0.00 H new ATOM 0 HA ASP A 7 1.500 -2.288 9.001 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.312 -1.173 11.123 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.874 -2.605 12.034 1.00 0.00 H new ATOM 109 N CYS A 8 1.771 -4.775 9.002 1.00 0.00 N ATOM 110 CA CYS A 8 1.651 -6.251 8.872 1.00 0.00 C ATOM 111 C CYS A 8 3.029 -6.852 8.670 1.00 0.00 C ATOM 112 O CYS A 8 3.172 -7.956 8.184 1.00 0.00 O ATOM 113 CB CYS A 8 0.779 -6.484 7.645 1.00 0.00 C ATOM 114 SG CYS A 8 1.363 -5.498 6.227 1.00 0.00 S ATOM 0 H CYS A 8 2.422 -4.332 8.354 1.00 0.00 H new ATOM 0 HA CYS A 8 1.217 -6.713 9.759 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.788 -7.542 7.384 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.254 -6.221 7.874 1.00 0.00 H new ATOM 119 N ALA A 9 4.059 -6.105 8.981 1.00 0.00 N ATOM 120 CA ALA A 9 5.430 -6.639 8.728 1.00 0.00 C ATOM 121 C ALA A 9 6.230 -6.612 10.005 1.00 0.00 C ATOM 122 O ALA A 9 6.256 -7.573 10.748 1.00 0.00 O ATOM 123 CB ALA A 9 6.016 -5.722 7.635 1.00 0.00 C ATOM 0 H ALA A 9 4.013 -5.171 9.389 1.00 0.00 H new ATOM 0 HA ALA A 9 5.438 -7.678 8.398 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.027 -6.048 7.390 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.392 -5.774 6.743 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.044 -4.695 7.998 1.00 0.00 H new ATOM 129 N ASN A 10 6.837 -5.543 10.305 1.00 0.00 N ATOM 130 CA ASN A 10 7.579 -5.505 11.596 1.00 0.00 C ATOM 131 C ASN A 10 7.839 -4.080 12.067 1.00 0.00 C ATOM 132 O ASN A 10 8.963 -3.633 12.176 1.00 0.00 O ATOM 133 CB ASN A 10 8.843 -6.326 11.420 1.00 0.00 C ATOM 134 CG ASN A 10 9.891 -5.934 12.480 1.00 0.00 C ATOM 135 OD1 ASN A 10 11.175 -5.822 12.181 1.00 0.00 O flip ATOM 136 ND2 ASN A 10 9.536 -5.720 13.623 1.00 0.00 N flip ATOM 0 H ASN A 10 6.868 -4.693 9.741 1.00 0.00 H new ATOM 0 HA ASN A 10 6.980 -5.942 12.394 1.00 0.00 H new ATOM 0 HB2 ASN A 10 8.610 -7.387 11.505 1.00 0.00 H new ATOM 0 HB3 ASN A 10 9.250 -6.169 10.421 1.00 0.00 H new ATOM 0 HD21 ASN A 10 8.551 -5.801 13.875 1.00 0.00 H new ATOM 0 HD22 ASN A 10 10.223 -5.460 14.330 1.00 0.00 H new ATOM 143 N HIS A 11 6.777 -3.381 12.372 1.00 0.00 N ATOM 144 CA HIS A 11 6.886 -1.980 12.870 1.00 0.00 C ATOM 145 C HIS A 11 8.072 -1.279 12.231 1.00 0.00 C ATOM 146 O HIS A 11 8.707 -0.429 12.822 1.00 0.00 O ATOM 147 CB HIS A 11 7.075 -2.100 14.372 1.00 0.00 C ATOM 148 CG HIS A 11 6.204 -3.200 14.921 1.00 0.00 C ATOM 149 ND1 HIS A 11 6.359 -4.564 14.944 1.00 0.00 N flip ATOM 150 CD2 HIS A 11 4.993 -2.947 15.544 1.00 0.00 C flip ATOM 151 CE1 HIS A 11 5.264 -5.150 15.572 1.00 0.00 C flip ATOM 152 NE2 HIS A 11 4.470 -4.132 15.914 1.00 0.00 N flip ATOM 0 H HIS A 11 5.822 -3.730 12.295 1.00 0.00 H new ATOM 0 HA HIS A 11 6.004 -1.390 12.622 1.00 0.00 H new ATOM 0 HB2 HIS A 11 8.121 -2.307 14.599 1.00 0.00 H new ATOM 0 HB3 HIS A 11 6.826 -1.155 14.854 1.00 0.00 H new ATOM 0 HD2 HIS A 11 4.549 -1.976 15.704 1.00 0.00 H new ATOM 0 HE1 HIS A 11 5.093 -6.202 15.746 1.00 0.00 H new ATOM 0 HE2 HIS A 11 3.577 -4.239 16.396 1.00 0.00 H new ATOM 160 N GLU A 12 8.374 -1.637 11.023 1.00 0.00 N ATOM 161 CA GLU A 12 9.521 -0.999 10.334 1.00 0.00 C ATOM 162 C GLU A 12 9.057 0.164 9.462 1.00 0.00 C ATOM 163 O GLU A 12 9.688 0.520 8.486 1.00 0.00 O ATOM 164 CB GLU A 12 10.162 -2.070 9.532 1.00 0.00 C ATOM 165 CG GLU A 12 11.612 -2.233 9.972 1.00 0.00 C ATOM 166 CD GLU A 12 11.909 -3.706 10.249 1.00 0.00 C ATOM 167 OE1 GLU A 12 11.589 -4.526 9.405 1.00 0.00 O ATOM 168 OE2 GLU A 12 12.456 -3.988 11.303 1.00 0.00 O ATOM 0 H GLU A 12 7.877 -2.344 10.481 1.00 0.00 H new ATOM 0 HA GLU A 12 10.229 -0.571 11.044 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.623 -3.009 9.662 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.118 -1.821 8.472 1.00 0.00 H new ATOM 0 HG2 GLU A 12 12.281 -1.858 9.197 1.00 0.00 H new ATOM 0 HG3 GLU A 12 11.798 -1.641 10.868 1.00 0.00 H new ATOM 175 N ILE A 13 7.934 0.739 9.797 1.00 0.00 N ATOM 176 CA ILE A 13 7.386 1.856 8.995 1.00 0.00 C ATOM 177 C ILE A 13 7.314 3.139 9.821 1.00 0.00 C ATOM 178 O ILE A 13 7.897 3.261 10.881 1.00 0.00 O ATOM 179 CB ILE A 13 6.007 1.294 8.604 1.00 0.00 C ATOM 180 CG1 ILE A 13 5.896 1.235 7.075 1.00 0.00 C ATOM 181 CG2 ILE A 13 4.836 2.123 9.184 1.00 0.00 C ATOM 182 CD1 ILE A 13 4.435 1.031 6.664 1.00 0.00 C ATOM 0 H ILE A 13 7.370 0.474 10.604 1.00 0.00 H new ATOM 0 HA ILE A 13 7.983 2.148 8.131 1.00 0.00 H new ATOM 0 HB ILE A 13 5.930 0.294 9.031 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.280 2.157 6.638 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.508 0.420 6.689 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.889 1.680 8.876 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.897 2.127 10.272 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.896 3.146 8.813 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.365 0.990 5.577 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.065 0.097 7.087 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.833 1.861 7.035 1.00 0.00 H new ATOM 194 N LYS A 14 6.588 4.080 9.322 1.00 0.00 N ATOM 195 CA LYS A 14 6.422 5.381 10.020 1.00 0.00 C ATOM 196 C LYS A 14 5.201 6.121 9.460 1.00 0.00 C ATOM 197 O LYS A 14 4.370 6.572 10.222 1.00 0.00 O ATOM 198 CB LYS A 14 7.718 6.172 9.834 1.00 0.00 C ATOM 199 CG LYS A 14 8.150 6.192 8.370 1.00 0.00 C ATOM 200 CD LYS A 14 9.380 7.091 8.226 1.00 0.00 C ATOM 201 CE LYS A 14 10.643 6.285 8.539 1.00 0.00 C ATOM 202 NZ LYS A 14 11.765 7.250 8.369 1.00 0.00 N ATOM 0 H LYS A 14 6.087 4.007 8.437 1.00 0.00 H new ATOM 0 HA LYS A 14 6.241 5.243 11.086 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.577 7.193 10.188 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.507 5.730 10.442 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.380 5.182 8.032 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.338 6.561 7.743 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.434 7.492 7.214 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.302 7.942 8.902 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.616 5.885 9.553 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.747 5.435 7.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.667 6.772 8.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.770 7.608 7.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.643 8.044 9.029 1.00 0.00 H new ATOM 216 N LYS A 15 5.027 6.244 8.148 1.00 0.00 N ATOM 217 CA LYS A 15 3.779 6.950 7.705 1.00 0.00 C ATOM 218 C LYS A 15 3.191 6.367 6.443 1.00 0.00 C ATOM 219 O LYS A 15 3.857 6.078 5.488 1.00 0.00 O ATOM 220 CB LYS A 15 4.114 8.432 7.538 1.00 0.00 C ATOM 221 CG LYS A 15 2.904 9.126 6.952 1.00 0.00 C ATOM 222 CD LYS A 15 2.996 10.610 7.283 1.00 0.00 C ATOM 223 CE LYS A 15 2.099 11.411 6.335 1.00 0.00 C ATOM 224 NZ LYS A 15 3.041 12.164 5.461 1.00 0.00 N ATOM 0 H LYS A 15 5.653 5.909 7.416 1.00 0.00 H new ATOM 0 HA LYS A 15 3.007 6.818 8.464 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.377 8.873 8.499 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.977 8.555 6.884 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.868 8.979 5.873 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.987 8.702 7.362 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.693 10.781 8.316 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.028 10.948 7.194 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.456 10.754 5.749 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.445 12.087 6.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.501 12.738 4.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.635 12.786 6.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.646 11.494 4.944 1.00 0.00 H new ATOM 238 N VAL A 16 1.913 6.198 6.454 1.00 0.00 N ATOM 239 CA VAL A 16 1.227 5.631 5.245 1.00 0.00 C ATOM 240 C VAL A 16 -0.004 6.443 4.901 1.00 0.00 C ATOM 241 O VAL A 16 -1.058 6.327 5.496 1.00 0.00 O ATOM 242 CB VAL A 16 0.838 4.172 5.554 1.00 0.00 C ATOM 243 CG1 VAL A 16 1.622 3.239 4.635 1.00 0.00 C ATOM 244 CG2 VAL A 16 1.147 3.824 7.014 1.00 0.00 C ATOM 0 H VAL A 16 1.301 6.422 7.238 1.00 0.00 H new ATOM 0 HA VAL A 16 1.898 5.667 4.387 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.233 4.052 5.388 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.351 2.205 4.849 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.386 3.468 3.596 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.690 3.376 4.803 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.864 2.790 7.209 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.214 3.950 7.200 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.583 4.485 7.673 1.00 0.00 H new ATOM 254 N LEU A 17 0.156 7.247 3.915 1.00 0.00 N ATOM 255 CA LEU A 17 -0.968 8.111 3.425 1.00 0.00 C ATOM 256 C LEU A 17 -1.722 7.442 2.293 1.00 0.00 C ATOM 257 O LEU A 17 -1.175 7.076 1.269 1.00 0.00 O ATOM 258 CB LEU A 17 -0.350 9.414 2.990 1.00 0.00 C ATOM 259 CG LEU A 17 -0.789 10.529 3.919 1.00 0.00 C ATOM 260 CD1 LEU A 17 -0.302 11.873 3.381 1.00 0.00 C ATOM 261 CD2 LEU A 17 -2.312 10.536 4.046 1.00 0.00 C ATOM 0 H LEU A 17 1.031 7.358 3.403 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.703 8.280 4.212 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.737 9.331 2.996 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.647 9.644 1.967 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.355 10.362 4.905 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.620 12.671 4.052 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.786 11.866 3.316 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.724 12.043 2.390 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.618 11.340 4.715 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.758 10.692 3.064 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.648 9.581 4.450 1.00 0.00 H new ATOM 273 N VAL A 18 -2.994 7.296 2.499 1.00 0.00 N ATOM 274 CA VAL A 18 -3.872 6.656 1.462 1.00 0.00 C ATOM 275 C VAL A 18 -5.243 7.352 1.434 1.00 0.00 C ATOM 276 O VAL A 18 -5.730 7.798 2.453 1.00 0.00 O ATOM 277 CB VAL A 18 -4.009 5.186 1.879 1.00 0.00 C ATOM 278 CG1 VAL A 18 -5.191 4.534 1.150 1.00 0.00 C ATOM 279 CG2 VAL A 18 -2.726 4.432 1.521 1.00 0.00 C ATOM 0 H VAL A 18 -3.478 7.592 3.346 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.451 6.740 0.460 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.181 5.141 2.954 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.276 3.491 1.455 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.110 5.062 1.402 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.027 4.585 0.074 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.823 3.388 1.817 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.558 4.490 0.446 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.882 4.881 2.045 1.00 0.00 H new ATOM 289 N PRO A 19 -5.814 7.432 0.256 1.00 0.00 N ATOM 290 CA PRO A 19 -7.138 8.095 0.085 1.00 0.00 C ATOM 291 C PRO A 19 -8.256 7.273 0.751 1.00 0.00 C ATOM 292 O PRO A 19 -8.610 6.210 0.281 1.00 0.00 O ATOM 293 CB PRO A 19 -7.322 8.130 -1.436 1.00 0.00 C ATOM 294 CG PRO A 19 -6.483 7.025 -1.949 1.00 0.00 C ATOM 295 CD PRO A 19 -5.294 6.918 -1.018 1.00 0.00 C ATOM 0 HA PRO A 19 -7.181 9.082 0.545 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.368 7.992 -1.710 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.008 9.088 -1.850 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.044 6.090 -1.971 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.159 7.226 -2.970 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.948 5.889 -0.925 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.450 7.508 -1.375 1.00 0.00 H new ATOM 303 N GLY A 20 -8.821 7.752 1.836 1.00 0.00 N ATOM 304 CA GLY A 20 -9.912 6.982 2.503 1.00 0.00 C ATOM 305 C GLY A 20 -10.116 7.500 3.930 1.00 0.00 C ATOM 306 O GLY A 20 -10.832 8.456 4.154 1.00 0.00 O ATOM 0 H GLY A 20 -8.574 8.635 2.282 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -10.837 7.079 1.935 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.661 5.922 2.524 1.00 0.00 H new ATOM 310 N CYS A 21 -9.497 6.878 4.899 1.00 0.00 N ATOM 311 CA CYS A 21 -9.677 7.359 6.313 1.00 0.00 C ATOM 312 C CYS A 21 -8.572 8.338 6.715 1.00 0.00 C ATOM 313 O CYS A 21 -7.623 8.550 5.985 1.00 0.00 O ATOM 314 CB CYS A 21 -9.610 6.144 7.213 1.00 0.00 C ATOM 315 SG CYS A 21 -11.221 5.324 7.247 1.00 0.00 S ATOM 0 H CYS A 21 -8.884 6.071 4.783 1.00 0.00 H new ATOM 0 HA CYS A 21 -10.631 7.879 6.402 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -8.847 5.454 6.853 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -9.321 6.441 8.221 1.00 0.00 H new ATOM 0 HG CYS A 21 -11.160 4.280 8.019 1.00 0.00 H new ATOM 320 N HIS A 22 -8.668 8.915 7.891 1.00 0.00 N ATOM 321 CA HIS A 22 -7.594 9.850 8.342 1.00 0.00 C ATOM 322 C HIS A 22 -7.333 9.682 9.822 1.00 0.00 C ATOM 323 O HIS A 22 -6.554 10.401 10.416 1.00 0.00 O ATOM 324 CB HIS A 22 -8.069 11.279 8.000 1.00 0.00 C ATOM 325 CG HIS A 22 -9.555 11.383 8.225 1.00 0.00 C ATOM 326 ND1 HIS A 22 -10.363 10.934 9.240 1.00 0.00 N flip ATOM 327 CD2 HIS A 22 -10.396 12.011 7.321 1.00 0.00 C flip ATOM 328 CE1 HIS A 22 -11.685 11.277 8.974 1.00 0.00 C flip ATOM 329 NE2 HIS A 22 -11.649 11.923 7.806 1.00 0.00 N flip ATOM 0 H HIS A 22 -9.435 8.779 8.549 1.00 0.00 H new ATOM 0 HA HIS A 22 -6.650 9.642 7.839 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -7.545 12.006 8.621 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -7.830 11.514 6.963 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -10.101 12.485 6.396 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -12.553 11.066 9.581 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -12.471 12.304 7.338 1.00 0.00 H new ATOM 337 N GLY A 23 -7.936 8.709 10.411 1.00 0.00 N ATOM 338 CA GLY A 23 -7.669 8.464 11.852 1.00 0.00 C ATOM 339 C GLY A 23 -8.510 7.288 12.353 1.00 0.00 C ATOM 340 O GLY A 23 -8.840 6.393 11.599 1.00 0.00 O ATOM 0 H GLY A 23 -8.599 8.072 9.969 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.610 8.253 12.002 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.901 9.359 12.430 1.00 0.00 H new ATOM 473 N GLY A 32 -15.683 5.887 -7.743 1.00 0.00 N ATOM 474 CA GLY A 32 -14.491 6.149 -8.560 1.00 0.00 C ATOM 475 C GLY A 32 -13.361 5.379 -7.894 1.00 0.00 C ATOM 476 O GLY A 32 -13.107 5.606 -6.729 1.00 0.00 O ATOM 0 HA2 GLY A 32 -14.639 5.817 -9.587 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.269 7.215 -8.599 1.00 0.00 H new ATOM 480 N LYS A 33 -12.729 4.401 -8.526 1.00 0.00 N ATOM 481 CA LYS A 33 -11.745 3.660 -7.755 1.00 0.00 C ATOM 482 C LYS A 33 -10.305 3.706 -8.243 1.00 0.00 C ATOM 483 O LYS A 33 -9.885 2.937 -9.096 1.00 0.00 O ATOM 484 CB LYS A 33 -12.280 2.277 -7.714 1.00 0.00 C ATOM 485 CG LYS A 33 -13.626 2.360 -7.042 1.00 0.00 C ATOM 486 CD LYS A 33 -13.470 2.822 -5.600 1.00 0.00 C ATOM 487 CE LYS A 33 -13.327 1.610 -4.679 1.00 0.00 C ATOM 488 NZ LYS A 33 -11.943 1.701 -4.136 1.00 0.00 N ATOM 0 H LYS A 33 -12.863 4.117 -9.496 1.00 0.00 H new ATOM 0 HA LYS A 33 -11.637 4.126 -6.776 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -12.373 1.867 -8.720 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -11.610 1.618 -7.161 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -14.269 3.053 -7.585 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -14.114 1.385 -7.068 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -12.595 3.465 -5.508 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -14.335 3.415 -5.303 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -14.067 1.632 -3.879 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -13.476 0.679 -5.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.849 1.068 -3.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -11.263 1.419 -4.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.749 2.679 -3.842 1.00 0.00 H new ATOM 502 N PRO A 34 -9.588 4.590 -7.635 1.00 0.00 N ATOM 503 CA PRO A 34 -8.146 4.778 -7.851 1.00 0.00 C ATOM 504 C PRO A 34 -7.429 4.241 -6.625 1.00 0.00 C ATOM 505 O PRO A 34 -7.908 4.362 -5.515 1.00 0.00 O ATOM 506 CB PRO A 34 -8.053 6.296 -7.910 1.00 0.00 C ATOM 507 CG PRO A 34 -9.222 6.786 -7.070 1.00 0.00 C ATOM 508 CD PRO A 34 -10.073 5.578 -6.709 1.00 0.00 C ATOM 0 HA PRO A 34 -7.719 4.286 -8.725 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -7.103 6.651 -7.511 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -8.123 6.658 -8.936 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -8.863 7.284 -6.169 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -9.811 7.517 -7.624 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -9.930 5.272 -5.673 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -11.137 5.774 -6.840 1.00 0.00 H new ATOM 516 N PHE A 35 -6.288 3.664 -6.801 1.00 0.00 N ATOM 517 CA PHE A 35 -5.564 3.144 -5.614 1.00 0.00 C ATOM 518 C PHE A 35 -4.222 3.860 -5.503 1.00 0.00 C ATOM 519 O PHE A 35 -3.269 3.534 -6.184 1.00 0.00 O ATOM 520 CB PHE A 35 -5.405 1.645 -5.820 1.00 0.00 C ATOM 521 CG PHE A 35 -6.784 0.991 -5.895 1.00 0.00 C ATOM 522 CD1 PHE A 35 -7.746 1.242 -4.896 1.00 0.00 C ATOM 523 CD2 PHE A 35 -7.107 0.131 -6.961 1.00 0.00 C ATOM 524 CE1 PHE A 35 -9.008 0.642 -4.968 1.00 0.00 C ATOM 525 CE2 PHE A 35 -8.373 -0.465 -7.025 1.00 0.00 C ATOM 526 CZ PHE A 35 -9.322 -0.210 -6.029 1.00 0.00 C ATOM 0 H PHE A 35 -5.825 3.528 -7.700 1.00 0.00 H new ATOM 0 HA PHE A 35 -6.101 3.323 -4.682 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.848 1.450 -6.737 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -4.830 1.214 -5.000 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -7.508 1.899 -4.073 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -6.377 -0.070 -7.731 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -9.742 0.838 -4.200 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -8.617 -1.123 -7.846 1.00 0.00 H new ATOM 0 HZ PHE A 35 -10.297 -0.672 -6.081 1.00 0.00 H new ATOM 536 N GLN A 36 -4.162 4.867 -4.682 1.00 0.00 N ATOM 537 CA GLN A 36 -2.892 5.645 -4.523 1.00 0.00 C ATOM 538 C GLN A 36 -2.376 5.524 -3.058 1.00 0.00 C ATOM 539 O GLN A 36 -2.849 6.219 -2.181 1.00 0.00 O ATOM 540 CB GLN A 36 -3.258 7.095 -4.823 1.00 0.00 C ATOM 541 CG GLN A 36 -3.521 7.233 -6.265 1.00 0.00 C ATOM 542 CD GLN A 36 -4.840 6.526 -6.647 1.00 0.00 C ATOM 543 OE1 GLN A 36 -5.792 6.582 -5.894 1.00 0.00 O ATOM 544 NE2 GLN A 36 -4.954 5.852 -7.783 1.00 0.00 N ATOM 0 H GLN A 36 -4.940 5.192 -4.108 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.107 5.278 -5.184 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.138 7.388 -4.250 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.447 7.758 -4.523 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -3.578 8.289 -6.530 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -2.695 6.805 -6.833 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.163 5.797 -8.425 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.833 5.389 -8.015 1.00 0.00 H new ATOM 553 N LEU A 37 -1.411 4.669 -2.784 1.00 0.00 N ATOM 554 CA LEU A 37 -0.873 4.527 -1.401 1.00 0.00 C ATOM 555 C LEU A 37 0.555 5.107 -1.363 1.00 0.00 C ATOM 556 O LEU A 37 1.333 4.896 -2.270 1.00 0.00 O ATOM 557 CB LEU A 37 -0.805 3.004 -1.134 1.00 0.00 C ATOM 558 CG LEU A 37 -1.877 2.238 -1.911 1.00 0.00 C ATOM 559 CD1 LEU A 37 -1.712 0.733 -1.663 1.00 0.00 C ATOM 560 CD2 LEU A 37 -3.274 2.664 -1.450 1.00 0.00 C ATOM 0 H LEU A 37 -0.973 4.059 -3.475 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.488 5.044 -0.664 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.181 2.631 -1.412 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.927 2.817 -0.067 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.764 2.459 -2.972 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.476 0.187 -2.217 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.725 0.415 -1.998 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.818 0.526 -0.598 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.027 2.111 -2.011 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.386 2.453 -0.387 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.404 3.732 -1.623 1.00 0.00 H new ATOM 572 N GLU A 38 0.919 5.819 -0.325 1.00 0.00 N ATOM 573 CA GLU A 38 2.304 6.379 -0.255 1.00 0.00 C ATOM 574 C GLU A 38 2.779 6.244 1.153 1.00 0.00 C ATOM 575 O GLU A 38 2.104 6.567 2.096 1.00 0.00 O ATOM 576 CB GLU A 38 2.176 7.850 -0.689 1.00 0.00 C ATOM 577 CG GLU A 38 1.559 8.676 0.445 1.00 0.00 C ATOM 578 CD GLU A 38 2.673 9.289 1.295 1.00 0.00 C ATOM 579 OE1 GLU A 38 3.702 8.650 1.440 1.00 0.00 O ATOM 580 OE2 GLU A 38 2.479 10.390 1.784 1.00 0.00 O ATOM 0 H GLU A 38 0.321 6.036 0.472 1.00 0.00 H new ATOM 0 HA GLU A 38 3.023 5.868 -0.895 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.157 8.248 -0.949 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.556 7.922 -1.582 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.926 9.463 0.034 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.921 8.045 1.063 1.00 0.00 H new ATOM 587 N ALA A 39 3.920 5.685 1.291 1.00 0.00 N ATOM 588 CA ALA A 39 4.431 5.432 2.676 1.00 0.00 C ATOM 589 C ALA A 39 5.939 5.614 2.810 1.00 0.00 C ATOM 590 O ALA A 39 6.720 5.374 1.909 1.00 0.00 O ATOM 591 CB ALA A 39 4.068 3.967 2.943 1.00 0.00 C ATOM 0 H ALA A 39 4.530 5.388 0.530 1.00 0.00 H new ATOM 0 HA ALA A 39 3.995 6.141 3.380 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.404 3.685 3.941 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.987 3.842 2.875 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.554 3.331 2.203 1.00 0.00 H new ATOM 597 N VAL A 40 6.315 6.004 3.991 1.00 0.00 N ATOM 598 CA VAL A 40 7.738 6.200 4.361 1.00 0.00 C ATOM 599 C VAL A 40 8.085 5.179 5.447 1.00 0.00 C ATOM 600 O VAL A 40 7.287 4.901 6.340 1.00 0.00 O ATOM 601 CB VAL A 40 7.893 7.629 4.837 1.00 0.00 C ATOM 602 CG1 VAL A 40 8.270 8.518 3.649 1.00 0.00 C ATOM 603 CG2 VAL A 40 6.586 8.108 5.422 1.00 0.00 C ATOM 0 H VAL A 40 5.662 6.204 4.749 1.00 0.00 H new ATOM 0 HA VAL A 40 8.419 6.044 3.524 1.00 0.00 H new ATOM 0 HB VAL A 40 8.673 7.679 5.597 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.383 9.548 3.987 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.210 8.172 3.220 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.486 8.468 2.894 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.696 9.137 5.765 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.808 8.061 4.660 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.309 7.473 6.263 1.00 0.00 H new ATOM 613 N PHE A 41 9.264 4.590 5.324 1.00 0.00 N ATOM 614 CA PHE A 41 9.734 3.535 6.246 1.00 0.00 C ATOM 615 C PHE A 41 11.265 3.456 6.140 1.00 0.00 C ATOM 616 O PHE A 41 11.817 3.368 5.056 1.00 0.00 O ATOM 617 CB PHE A 41 9.143 2.224 5.692 1.00 0.00 C ATOM 618 CG PHE A 41 9.258 2.221 4.178 1.00 0.00 C ATOM 619 CD1 PHE A 41 10.462 1.840 3.562 1.00 0.00 C ATOM 620 CD2 PHE A 41 8.161 2.592 3.389 1.00 0.00 C ATOM 621 CE1 PHE A 41 10.567 1.835 2.166 1.00 0.00 C ATOM 622 CE2 PHE A 41 8.269 2.583 1.993 1.00 0.00 C ATOM 623 CZ PHE A 41 9.472 2.205 1.383 1.00 0.00 C ATOM 0 H PHE A 41 9.931 4.820 4.587 1.00 0.00 H new ATOM 0 HA PHE A 41 9.444 3.720 7.280 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.673 1.368 6.110 1.00 0.00 H new ATOM 0 HB3 PHE A 41 8.099 2.129 5.989 1.00 0.00 H new ATOM 0 HD1 PHE A 41 11.308 1.550 4.167 1.00 0.00 H new ATOM 0 HD2 PHE A 41 7.233 2.885 3.857 1.00 0.00 H new ATOM 0 HE1 PHE A 41 11.495 1.545 1.695 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.423 2.868 1.385 1.00 0.00 H new ATOM 0 HZ PHE A 41 9.552 2.200 0.306 1.00 0.00 H new ATOM 633 N GLU A 42 11.954 3.477 7.220 1.00 0.00 N ATOM 634 CA GLU A 42 13.445 3.353 7.154 1.00 0.00 C ATOM 635 C GLU A 42 13.809 1.925 6.812 1.00 0.00 C ATOM 636 O GLU A 42 13.090 0.981 7.073 1.00 0.00 O ATOM 637 CB GLU A 42 13.989 3.670 8.525 1.00 0.00 C ATOM 638 CG GLU A 42 15.434 4.131 8.351 1.00 0.00 C ATOM 639 CD GLU A 42 15.914 4.823 9.627 1.00 0.00 C ATOM 640 OE1 GLU A 42 15.649 6.005 9.771 1.00 0.00 O ATOM 641 OE2 GLU A 42 16.539 4.159 10.439 1.00 0.00 O ATOM 0 H GLU A 42 11.566 3.574 8.158 1.00 0.00 H new ATOM 0 HA GLU A 42 13.853 4.027 6.401 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.394 4.448 9.003 1.00 0.00 H new ATOM 0 HB3 GLU A 42 13.942 2.792 9.169 1.00 0.00 H new ATOM 0 HG2 GLU A 42 16.073 3.277 8.127 1.00 0.00 H new ATOM 0 HG3 GLU A 42 15.508 4.815 7.506 1.00 0.00 H new ATOM 648 N ALA A 43 14.942 1.795 6.256 1.00 0.00 N ATOM 649 CA ALA A 43 15.480 0.448 5.875 1.00 0.00 C ATOM 650 C ALA A 43 16.248 -0.113 7.045 1.00 0.00 C ATOM 651 O ALA A 43 17.015 0.583 7.681 1.00 0.00 O ATOM 652 CB ALA A 43 16.416 0.714 4.693 1.00 0.00 C ATOM 0 H ALA A 43 15.559 2.575 6.031 1.00 0.00 H new ATOM 0 HA ALA A 43 14.701 -0.267 5.611 1.00 0.00 H new ATOM 0 HB1 ALA A 43 16.851 -0.226 4.355 1.00 0.00 H new ATOM 0 HB2 ALA A 43 15.852 1.167 3.877 1.00 0.00 H new ATOM 0 HB3 ALA A 43 17.212 1.391 5.004 1.00 0.00 H new ATOM 658 N ASN A 44 16.066 -1.366 7.340 1.00 0.00 N ATOM 659 CA ASN A 44 16.814 -1.916 8.467 1.00 0.00 C ATOM 660 C ASN A 44 17.756 -3.006 8.096 1.00 0.00 C ATOM 661 O ASN A 44 17.887 -4.056 8.692 1.00 0.00 O ATOM 662 CB ASN A 44 15.881 -2.239 9.634 1.00 0.00 C ATOM 663 CG ASN A 44 14.752 -3.218 9.212 1.00 0.00 C ATOM 664 OD1 ASN A 44 13.896 -2.937 8.237 1.00 0.00 O flip ATOM 665 ND2 ASN A 44 14.643 -4.281 9.791 1.00 0.00 N flip ATOM 0 H ASN A 44 15.443 -2.011 6.854 1.00 0.00 H new ATOM 0 HA ASN A 44 17.487 -1.136 8.822 1.00 0.00 H new ATOM 0 HB2 ASN A 44 16.456 -2.677 10.450 1.00 0.00 H new ATOM 0 HB3 ASN A 44 15.440 -1.317 10.014 1.00 0.00 H new ATOM 0 HD21 ASN A 44 15.288 -4.520 10.544 1.00 0.00 H new ATOM 0 HD22 ASN A 44 13.906 -4.934 9.524 1.00 0.00 H new ATOM 672 N GLN A 45 18.467 -2.621 7.133 1.00 0.00 N ATOM 673 CA GLN A 45 19.563 -3.372 6.562 1.00 0.00 C ATOM 674 C GLN A 45 20.025 -2.817 5.236 1.00 0.00 C ATOM 675 O GLN A 45 19.842 -1.652 4.907 1.00 0.00 O ATOM 676 CB GLN A 45 19.034 -4.733 6.322 1.00 0.00 C ATOM 677 CG GLN A 45 17.674 -4.596 5.672 1.00 0.00 C ATOM 678 CD GLN A 45 16.864 -5.892 5.868 1.00 0.00 C ATOM 679 OE1 GLN A 45 17.200 -6.698 6.713 1.00 0.00 O ATOM 680 NE2 GLN A 45 15.807 -6.138 5.127 1.00 0.00 N ATOM 0 H GLN A 45 18.318 -1.724 6.671 1.00 0.00 H new ATOM 0 HA GLN A 45 20.415 -3.337 7.241 1.00 0.00 H new ATOM 0 HB2 GLN A 45 19.709 -5.297 5.678 1.00 0.00 H new ATOM 0 HB3 GLN A 45 18.955 -5.282 7.260 1.00 0.00 H new ATOM 0 HG2 GLN A 45 17.137 -3.753 6.107 1.00 0.00 H new ATOM 0 HG3 GLN A 45 17.789 -4.387 4.609 1.00 0.00 H new ATOM 0 HE21 GLN A 45 15.516 -5.468 4.415 1.00 0.00 H new ATOM 0 HE22 GLN A 45 15.277 -6.999 5.264 1.00 0.00 H new ATOM 689 N ASN A 46 20.679 -3.632 4.497 1.00 0.00 N ATOM 690 CA ASN A 46 21.211 -3.228 3.194 1.00 0.00 C ATOM 691 C ASN A 46 20.434 -3.925 2.133 1.00 0.00 C ATOM 692 O ASN A 46 19.840 -4.966 2.335 1.00 0.00 O ATOM 693 CB ASN A 46 22.586 -3.751 3.229 1.00 0.00 C ATOM 694 CG ASN A 46 23.373 -3.272 2.008 1.00 0.00 C ATOM 695 OD1 ASN A 46 23.153 -3.737 0.908 1.00 0.00 O ATOM 696 ND2 ASN A 46 24.287 -2.352 2.157 1.00 0.00 N ATOM 0 H ASN A 46 20.875 -4.600 4.751 1.00 0.00 H new ATOM 0 HA ASN A 46 21.163 -2.157 2.998 1.00 0.00 H new ATOM 0 HB2 ASN A 46 23.083 -3.422 4.141 1.00 0.00 H new ATOM 0 HB3 ASN A 46 22.566 -4.841 3.252 1.00 0.00 H new ATOM 0 HD21 ASN A 46 24.816 -2.024 1.349 1.00 0.00 H new ATOM 0 HD22 ASN A 46 24.472 -1.961 3.081 1.00 0.00 H new ATOM 703 N THR A 47 20.410 -3.338 1.028 1.00 0.00 N ATOM 704 CA THR A 47 19.617 -3.950 -0.086 1.00 0.00 C ATOM 705 C THR A 47 19.837 -3.242 -1.415 1.00 0.00 C ATOM 706 O THR A 47 20.100 -2.066 -1.447 1.00 0.00 O ATOM 707 CB THR A 47 18.164 -3.763 0.387 1.00 0.00 C ATOM 708 OG1 THR A 47 17.287 -3.734 -0.728 1.00 0.00 O ATOM 709 CG2 THR A 47 17.998 -2.451 1.172 1.00 0.00 C ATOM 0 H THR A 47 20.889 -2.464 0.808 1.00 0.00 H new ATOM 0 HA THR A 47 19.898 -4.987 -0.271 1.00 0.00 H new ATOM 0 HB THR A 47 17.921 -4.603 1.038 1.00 0.00 H new ATOM 0 HG1 THR A 47 16.365 -3.616 -0.416 1.00 0.00 H new ATOM 0 HG21 THR A 47 16.961 -2.347 1.493 1.00 0.00 H new ATOM 0 HG22 THR A 47 18.648 -2.465 2.046 1.00 0.00 H new ATOM 0 HG23 THR A 47 18.266 -1.609 0.534 1.00 0.00 H new ATOM 717 N LYS A 48 19.715 -3.929 -2.522 1.00 0.00 N ATOM 718 CA LYS A 48 19.899 -3.222 -3.838 1.00 0.00 C ATOM 719 C LYS A 48 18.565 -3.138 -4.606 1.00 0.00 C ATOM 720 O LYS A 48 18.538 -2.700 -5.734 1.00 0.00 O ATOM 721 CB LYS A 48 20.895 -4.047 -4.624 1.00 0.00 C ATOM 722 CG LYS A 48 22.103 -4.345 -3.746 1.00 0.00 C ATOM 723 CD LYS A 48 22.219 -5.853 -3.519 1.00 0.00 C ATOM 724 CE LYS A 48 23.684 -6.224 -3.284 1.00 0.00 C ATOM 725 NZ LYS A 48 24.247 -6.449 -4.646 1.00 0.00 N ATOM 0 H LYS A 48 19.501 -4.925 -2.579 1.00 0.00 H new ATOM 0 HA LYS A 48 20.249 -2.201 -3.686 1.00 0.00 H new ATOM 0 HB2 LYS A 48 20.433 -4.977 -4.956 1.00 0.00 H new ATOM 0 HB3 LYS A 48 21.205 -3.508 -5.519 1.00 0.00 H new ATOM 0 HG2 LYS A 48 23.010 -3.968 -4.219 1.00 0.00 H new ATOM 0 HG3 LYS A 48 22.005 -3.831 -2.790 1.00 0.00 H new ATOM 0 HD2 LYS A 48 21.616 -6.149 -2.661 1.00 0.00 H new ATOM 0 HD3 LYS A 48 21.831 -6.392 -4.383 1.00 0.00 H new ATOM 0 HE2 LYS A 48 24.215 -5.426 -2.764 1.00 0.00 H new ATOM 0 HE3 LYS A 48 23.771 -7.119 -2.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 25.251 -6.708 -4.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 23.726 -7.218 -5.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 24.157 -5.578 -5.207 1.00 0.00 H new ATOM 739 N THR A 49 17.456 -3.541 -4.012 1.00 0.00 N ATOM 740 CA THR A 49 16.158 -3.458 -4.723 1.00 0.00 C ATOM 741 C THR A 49 15.003 -3.699 -3.777 1.00 0.00 C ATOM 742 O THR A 49 15.086 -4.460 -2.834 1.00 0.00 O ATOM 743 CB THR A 49 16.171 -4.496 -5.804 1.00 0.00 C ATOM 744 OG1 THR A 49 16.979 -5.602 -5.429 1.00 0.00 O ATOM 745 CG2 THR A 49 16.709 -3.827 -7.055 1.00 0.00 C ATOM 0 H THR A 49 17.408 -3.921 -3.067 1.00 0.00 H new ATOM 0 HA THR A 49 16.026 -2.461 -5.144 1.00 0.00 H new ATOM 0 HB THR A 49 15.168 -4.885 -5.980 1.00 0.00 H new ATOM 0 HG1 THR A 49 16.974 -6.269 -6.147 1.00 0.00 H new ATOM 0 HG21 THR A 49 16.736 -4.549 -7.871 1.00 0.00 H new ATOM 0 HG22 THR A 49 16.062 -2.994 -7.329 1.00 0.00 H new ATOM 0 HG23 THR A 49 17.716 -3.457 -6.865 1.00 0.00 H new ATOM 753 N ALA A 50 13.922 -3.057 -4.046 1.00 0.00 N ATOM 754 CA ALA A 50 12.714 -3.231 -3.188 1.00 0.00 C ATOM 755 C ALA A 50 11.464 -3.114 -4.027 1.00 0.00 C ATOM 756 O ALA A 50 11.061 -2.050 -4.442 1.00 0.00 O ATOM 757 CB ALA A 50 12.768 -2.127 -2.127 1.00 0.00 C ATOM 0 H ALA A 50 13.809 -2.411 -4.827 1.00 0.00 H new ATOM 0 HA ALA A 50 12.696 -4.214 -2.717 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.902 -2.211 -1.471 1.00 0.00 H new ATOM 0 HB2 ALA A 50 13.680 -2.231 -1.539 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.761 -1.152 -2.615 1.00 0.00 H new ATOM 763 N LYS A 51 10.859 -4.229 -4.252 1.00 0.00 N ATOM 764 CA LYS A 51 9.592 -4.268 -5.063 1.00 0.00 C ATOM 765 C LYS A 51 8.410 -3.765 -4.229 1.00 0.00 C ATOM 766 O LYS A 51 8.544 -3.376 -3.075 1.00 0.00 O ATOM 767 CB LYS A 51 9.373 -5.742 -5.512 1.00 0.00 C ATOM 768 CG LYS A 51 8.463 -6.482 -4.521 1.00 0.00 C ATOM 769 CD LYS A 51 8.246 -7.920 -5.001 1.00 0.00 C ATOM 770 CE LYS A 51 6.752 -8.251 -4.955 1.00 0.00 C ATOM 771 NZ LYS A 51 6.452 -8.865 -6.280 1.00 0.00 N ATOM 0 H LYS A 51 11.178 -5.136 -3.912 1.00 0.00 H new ATOM 0 HA LYS A 51 9.669 -3.618 -5.935 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.928 -5.762 -6.507 1.00 0.00 H new ATOM 0 HB3 LYS A 51 10.334 -6.252 -5.582 1.00 0.00 H new ATOM 0 HG2 LYS A 51 8.913 -6.483 -3.528 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.506 -5.967 -4.436 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.625 -8.037 -6.016 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.803 -8.613 -4.371 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.525 -8.939 -4.141 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.154 -7.355 -4.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.445 -9.119 -6.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.671 -8.185 -7.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.031 -9.720 -6.405 1.00 0.00 H new ATOM 785 N ILE A 52 7.253 -3.839 -4.807 1.00 0.00 N ATOM 786 CA ILE A 52 5.995 -3.395 -4.111 1.00 0.00 C ATOM 787 C ILE A 52 4.857 -4.370 -4.430 1.00 0.00 C ATOM 788 O ILE A 52 4.683 -4.765 -5.565 1.00 0.00 O ATOM 789 CB ILE A 52 5.618 -2.000 -4.670 1.00 0.00 C ATOM 790 CG1 ILE A 52 6.752 -1.042 -4.461 1.00 0.00 C ATOM 791 CG2 ILE A 52 4.402 -1.473 -3.904 1.00 0.00 C ATOM 792 CD1 ILE A 52 6.282 0.365 -4.867 1.00 0.00 C ATOM 0 H ILE A 52 7.110 -4.194 -5.752 1.00 0.00 H new ATOM 0 HA ILE A 52 6.152 -3.363 -3.033 1.00 0.00 H new ATOM 0 HB ILE A 52 5.400 -2.088 -5.734 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.067 -1.050 -3.418 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.615 -1.340 -5.057 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.127 -0.491 -4.289 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.566 -2.160 -4.032 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.646 -1.392 -2.845 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.095 1.076 -4.721 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.987 0.361 -5.916 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.431 0.656 -4.251 1.00 0.00 H new ATOM 804 N GLU A 53 4.080 -4.780 -3.456 1.00 0.00 N ATOM 805 CA GLU A 53 2.991 -5.726 -3.762 1.00 0.00 C ATOM 806 C GLU A 53 1.743 -5.419 -2.974 1.00 0.00 C ATOM 807 O GLU A 53 1.667 -5.538 -1.762 1.00 0.00 O ATOM 808 CB GLU A 53 3.560 -7.092 -3.427 1.00 0.00 C ATOM 809 CG GLU A 53 2.433 -8.092 -3.149 1.00 0.00 C ATOM 810 CD GLU A 53 2.984 -9.515 -3.241 1.00 0.00 C ATOM 811 OE1 GLU A 53 4.179 -9.679 -3.063 1.00 0.00 O ATOM 812 OE2 GLU A 53 2.201 -10.417 -3.489 1.00 0.00 O ATOM 0 H GLU A 53 4.160 -4.498 -2.479 1.00 0.00 H new ATOM 0 HA GLU A 53 2.678 -5.666 -4.804 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.174 -7.449 -4.254 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.210 -7.017 -2.556 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.012 -7.916 -2.159 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.625 -7.956 -3.868 1.00 0.00 H new ATOM 819 N ILE A 54 0.762 -5.050 -3.721 1.00 0.00 N ATOM 820 CA ILE A 54 -0.586 -4.733 -3.170 1.00 0.00 C ATOM 821 C ILE A 54 -1.422 -5.997 -3.160 1.00 0.00 C ATOM 822 O ILE A 54 -1.626 -6.640 -4.170 1.00 0.00 O ATOM 823 CB ILE A 54 -1.200 -3.759 -4.144 1.00 0.00 C ATOM 824 CG1 ILE A 54 -2.586 -3.436 -3.625 1.00 0.00 C ATOM 825 CG2 ILE A 54 -1.295 -4.398 -5.537 1.00 0.00 C ATOM 826 CD1 ILE A 54 -2.675 -1.946 -3.311 1.00 0.00 C ATOM 0 H ILE A 54 0.832 -4.948 -4.733 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.532 -4.331 -2.158 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.594 -2.857 -4.230 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.337 -3.708 -4.367 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.796 -4.021 -2.730 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.740 -3.687 -6.234 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.297 -4.669 -5.882 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.916 -5.292 -5.485 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.672 -1.712 -2.937 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.934 -1.689 -2.554 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.483 -1.371 -4.217 1.00 0.00 H new ATOM 838 N LYS A 55 -1.942 -6.314 -2.039 1.00 0.00 N ATOM 839 CA LYS A 55 -2.835 -7.514 -1.938 1.00 0.00 C ATOM 840 C LYS A 55 -4.195 -6.981 -1.513 1.00 0.00 C ATOM 841 O LYS A 55 -4.407 -6.660 -0.363 1.00 0.00 O ATOM 842 CB LYS A 55 -2.218 -8.469 -0.886 1.00 0.00 C ATOM 843 CG LYS A 55 -3.314 -9.322 -0.225 1.00 0.00 C ATOM 844 CD LYS A 55 -2.777 -9.906 1.083 1.00 0.00 C ATOM 845 CE LYS A 55 -3.035 -11.414 1.117 1.00 0.00 C ATOM 846 NZ LYS A 55 -1.772 -12.005 1.641 1.00 0.00 N ATOM 0 H LYS A 55 -1.800 -5.804 -1.167 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.939 -8.072 -2.869 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.482 -9.117 -1.362 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.691 -7.891 -0.127 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.197 -8.713 -0.030 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.622 -10.124 -0.896 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.709 -9.708 1.170 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.261 -9.425 1.933 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.881 -11.656 1.760 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.269 -11.798 0.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.869 -13.039 1.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.985 -11.763 1.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.579 -11.626 2.590 1.00 0.00 H new ATOM 860 N ALA A 56 -5.101 -6.802 -2.437 1.00 0.00 N ATOM 861 CA ALA A 56 -6.394 -6.193 -2.049 1.00 0.00 C ATOM 862 C ALA A 56 -7.561 -7.159 -2.166 1.00 0.00 C ATOM 863 O ALA A 56 -7.816 -7.736 -3.204 1.00 0.00 O ATOM 864 CB ALA A 56 -6.540 -5.029 -3.023 1.00 0.00 C ATOM 0 H ALA A 56 -5.001 -7.047 -3.422 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.404 -5.889 -1.002 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.473 -4.503 -2.824 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.702 -4.343 -2.898 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.549 -5.408 -4.045 1.00 0.00 H new ATOM 870 N SER A 57 -8.302 -7.296 -1.102 1.00 0.00 N ATOM 871 CA SER A 57 -9.501 -8.185 -1.144 1.00 0.00 C ATOM 872 C SER A 57 -10.722 -7.276 -1.226 1.00 0.00 C ATOM 873 O SER A 57 -11.136 -6.719 -0.244 1.00 0.00 O ATOM 874 CB SER A 57 -9.466 -8.999 0.165 1.00 0.00 C ATOM 875 OG SER A 57 -10.261 -8.351 1.148 1.00 0.00 O ATOM 0 H SER A 57 -8.132 -6.834 -0.208 1.00 0.00 H new ATOM 0 HA SER A 57 -9.526 -8.869 -1.992 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.838 -10.008 -0.012 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.439 -9.096 0.518 1.00 0.00 H new ATOM 0 HG SER A 57 -10.354 -7.402 0.920 1.00 0.00 H new ATOM 881 N ILE A 58 -11.256 -7.069 -2.400 1.00 0.00 N ATOM 882 CA ILE A 58 -12.425 -6.114 -2.547 1.00 0.00 C ATOM 883 C ILE A 58 -13.728 -6.881 -2.842 1.00 0.00 C ATOM 884 O ILE A 58 -13.959 -7.400 -3.914 1.00 0.00 O ATOM 885 CB ILE A 58 -12.017 -5.140 -3.706 1.00 0.00 C ATOM 886 CG1 ILE A 58 -12.520 -5.677 -5.062 1.00 0.00 C ATOM 887 CG2 ILE A 58 -10.495 -4.990 -3.732 1.00 0.00 C ATOM 888 CD1 ILE A 58 -11.732 -5.039 -6.211 1.00 0.00 C ATOM 0 H ILE A 58 -10.945 -7.510 -3.266 1.00 0.00 H new ATOM 0 HA ILE A 58 -12.628 -5.558 -1.632 1.00 0.00 H new ATOM 0 HB ILE A 58 -12.474 -4.166 -3.531 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -12.411 -6.761 -5.095 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -13.582 -5.460 -5.176 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -10.210 -4.313 -4.537 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -10.153 -4.585 -2.779 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -10.036 -5.965 -3.898 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -12.097 -5.427 -7.162 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -11.863 -3.957 -6.186 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -10.674 -5.279 -6.104 1.00 0.00 H new ATOM 900 N ASP A 59 -14.573 -6.930 -1.856 1.00 0.00 N ATOM 901 CA ASP A 59 -15.915 -7.636 -1.981 1.00 0.00 C ATOM 902 C ASP A 59 -15.844 -8.895 -2.850 1.00 0.00 C ATOM 903 O ASP A 59 -16.512 -9.007 -3.858 1.00 0.00 O ATOM 904 CB ASP A 59 -16.858 -6.609 -2.634 1.00 0.00 C ATOM 905 CG ASP A 59 -16.185 -6.034 -3.880 1.00 0.00 C ATOM 906 OD1 ASP A 59 -16.261 -6.672 -4.918 1.00 0.00 O ATOM 907 OD2 ASP A 59 -15.606 -4.965 -3.777 1.00 0.00 O ATOM 0 H ASP A 59 -14.405 -6.508 -0.943 1.00 0.00 H new ATOM 0 HA ASP A 59 -16.256 -7.969 -1.001 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -17.803 -7.083 -2.901 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -17.090 -5.810 -1.929 1.00 0.00 H new ATOM 912 N GLY A 60 -15.076 -9.859 -2.439 1.00 0.00 N ATOM 913 CA GLY A 60 -14.990 -11.138 -3.192 1.00 0.00 C ATOM 914 C GLY A 60 -14.142 -10.986 -4.450 1.00 0.00 C ATOM 915 O GLY A 60 -13.793 -11.956 -5.092 1.00 0.00 O ATOM 0 H GLY A 60 -14.495 -9.816 -1.601 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -14.561 -11.910 -2.553 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -15.992 -11.470 -3.464 1.00 0.00 H new ATOM 919 N LEU A 61 -13.827 -9.788 -4.825 1.00 0.00 N ATOM 920 CA LEU A 61 -13.045 -9.570 -6.034 1.00 0.00 C ATOM 921 C LEU A 61 -11.627 -9.124 -5.699 1.00 0.00 C ATOM 922 O LEU A 61 -11.171 -8.081 -6.121 1.00 0.00 O ATOM 923 CB LEU A 61 -13.793 -8.478 -6.668 1.00 0.00 C ATOM 924 CG LEU A 61 -13.729 -8.683 -8.170 1.00 0.00 C ATOM 925 CD1 LEU A 61 -15.108 -8.434 -8.783 1.00 0.00 C ATOM 926 CD2 LEU A 61 -12.707 -7.721 -8.779 1.00 0.00 C ATOM 0 H LEU A 61 -14.090 -8.939 -4.325 1.00 0.00 H new ATOM 0 HA LEU A 61 -12.929 -10.459 -6.654 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -14.828 -8.475 -6.327 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -13.365 -7.513 -6.396 1.00 0.00 H new ATOM 0 HG LEU A 61 -13.424 -9.708 -8.381 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -15.059 -8.582 -9.862 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -15.828 -9.131 -8.354 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -15.421 -7.412 -8.571 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -12.664 -7.871 -9.858 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -13.003 -6.694 -8.567 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -11.725 -7.912 -8.346 1.00 0.00 H new ATOM 938 N GLU A 62 -10.931 -9.912 -4.936 1.00 0.00 N ATOM 939 CA GLU A 62 -9.586 -9.603 -4.535 1.00 0.00 C ATOM 940 C GLU A 62 -8.663 -9.479 -5.739 1.00 0.00 C ATOM 941 O GLU A 62 -8.403 -10.428 -6.453 1.00 0.00 O ATOM 942 CB GLU A 62 -9.363 -10.838 -3.675 1.00 0.00 C ATOM 943 CG GLU A 62 -8.199 -11.675 -4.181 1.00 0.00 C ATOM 944 CD GLU A 62 -7.548 -12.416 -3.012 1.00 0.00 C ATOM 945 OE1 GLU A 62 -8.275 -12.847 -2.132 1.00 0.00 O ATOM 946 OE2 GLU A 62 -6.334 -12.535 -3.014 1.00 0.00 O ATOM 0 H GLU A 62 -11.282 -10.797 -4.569 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.403 -8.655 -4.029 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.172 -10.535 -2.646 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.269 -11.443 -3.666 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.549 -12.389 -4.926 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.466 -11.036 -4.672 1.00 0.00 H new ATOM 953 N VAL A 63 -8.159 -8.304 -5.947 1.00 0.00 N ATOM 954 CA VAL A 63 -7.237 -8.084 -7.082 1.00 0.00 C ATOM 955 C VAL A 63 -5.878 -8.654 -6.771 1.00 0.00 C ATOM 956 O VAL A 63 -5.422 -8.678 -5.644 1.00 0.00 O ATOM 957 CB VAL A 63 -7.120 -6.596 -7.274 1.00 0.00 C ATOM 958 CG1 VAL A 63 -8.516 -5.996 -7.431 1.00 0.00 C ATOM 959 CG2 VAL A 63 -6.418 -5.986 -6.060 1.00 0.00 C ATOM 0 H VAL A 63 -8.348 -7.481 -5.375 1.00 0.00 H new ATOM 0 HA VAL A 63 -7.615 -8.573 -7.980 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.537 -6.380 -8.170 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.435 -4.918 -7.570 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.007 -6.438 -8.298 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -9.104 -6.203 -6.537 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.331 -4.908 -6.194 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.999 -6.194 -5.161 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.424 -6.421 -5.958 1.00 0.00 H new ATOM 969 N ASP A 64 -5.275 -9.180 -7.766 1.00 0.00 N ATOM 970 CA ASP A 64 -3.993 -9.844 -7.607 1.00 0.00 C ATOM 971 C ASP A 64 -3.059 -9.492 -8.742 1.00 0.00 C ATOM 972 O ASP A 64 -2.586 -10.327 -9.487 1.00 0.00 O ATOM 973 CB ASP A 64 -4.494 -11.212 -7.788 1.00 0.00 C ATOM 974 CG ASP A 64 -3.532 -12.248 -7.205 1.00 0.00 C ATOM 975 OD1 ASP A 64 -2.361 -11.930 -7.068 1.00 0.00 O ATOM 976 OD2 ASP A 64 -3.981 -13.342 -6.905 1.00 0.00 O ATOM 0 H ASP A 64 -5.635 -9.175 -8.720 1.00 0.00 H new ATOM 0 HA ASP A 64 -3.433 -9.621 -6.699 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.468 -11.309 -7.308 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.641 -11.408 -8.850 1.00 0.00 H new ATOM 981 N VAL A 65 -2.803 -8.254 -8.848 1.00 0.00 N ATOM 982 CA VAL A 65 -1.886 -7.746 -9.924 1.00 0.00 C ATOM 983 C VAL A 65 -1.310 -6.388 -9.514 1.00 0.00 C ATOM 984 O VAL A 65 -1.941 -5.653 -8.780 1.00 0.00 O ATOM 985 CB VAL A 65 -2.739 -7.582 -11.202 1.00 0.00 C ATOM 986 CG1 VAL A 65 -1.865 -7.811 -12.436 1.00 0.00 C ATOM 987 CG2 VAL A 65 -3.895 -8.590 -11.225 1.00 0.00 C ATOM 0 H VAL A 65 -3.184 -7.533 -8.235 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.058 -8.436 -10.089 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.148 -6.572 -11.208 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.469 -7.695 -13.336 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.053 -7.084 -12.447 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.449 -8.818 -12.406 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.479 -8.453 -12.135 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.495 -9.603 -11.200 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.534 -8.431 -10.356 1.00 0.00 H new ATOM 997 N PRO A 66 -0.131 -6.083 -10.002 1.00 0.00 N ATOM 998 CA PRO A 66 0.499 -4.798 -9.671 1.00 0.00 C ATOM 999 C PRO A 66 0.012 -3.708 -10.584 1.00 0.00 C ATOM 1000 O PRO A 66 -0.151 -3.851 -11.778 1.00 0.00 O ATOM 1001 CB PRO A 66 1.978 -5.045 -9.865 1.00 0.00 C ATOM 1002 CG PRO A 66 2.070 -6.185 -10.842 1.00 0.00 C ATOM 1003 CD PRO A 66 0.723 -6.882 -10.889 1.00 0.00 C ATOM 0 HA PRO A 66 0.262 -4.469 -8.659 1.00 0.00 H new ATOM 0 HB2 PRO A 66 2.477 -4.156 -10.251 1.00 0.00 H new ATOM 0 HB3 PRO A 66 2.461 -5.297 -8.921 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.341 -5.816 -11.831 1.00 0.00 H new ATOM 0 HG3 PRO A 66 2.849 -6.884 -10.538 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.326 -6.911 -11.904 1.00 0.00 H new ATOM 0 HD3 PRO A 66 0.797 -7.914 -10.546 1.00 0.00 H new ATOM 1011 N GLY A 67 -0.233 -2.627 -9.965 1.00 0.00 N ATOM 1012 CA GLY A 67 -0.754 -1.417 -10.688 1.00 0.00 C ATOM 1013 C GLY A 67 0.239 -0.237 -10.619 1.00 0.00 C ATOM 1014 O GLY A 67 -0.163 0.886 -10.399 1.00 0.00 O ATOM 0 H GLY A 67 -0.100 -2.498 -8.962 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -0.945 -1.671 -11.731 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.707 -1.116 -10.253 1.00 0.00 H new ATOM 1018 N ILE A 68 1.529 -0.463 -10.791 1.00 0.00 N ATOM 1019 CA ILE A 68 2.511 0.648 -10.727 1.00 0.00 C ATOM 1020 C ILE A 68 3.928 0.066 -10.820 1.00 0.00 C ATOM 1021 O ILE A 68 4.109 -1.096 -11.125 1.00 0.00 O ATOM 1022 CB ILE A 68 2.273 1.259 -9.352 1.00 0.00 C ATOM 1023 CG1 ILE A 68 2.468 2.755 -9.437 1.00 0.00 C ATOM 1024 CG2 ILE A 68 3.225 0.661 -8.306 1.00 0.00 C ATOM 1025 CD1 ILE A 68 1.329 3.391 -10.234 1.00 0.00 C ATOM 0 H ILE A 68 1.933 -1.381 -10.974 1.00 0.00 H new ATOM 0 HA ILE A 68 2.405 1.378 -11.529 1.00 0.00 H new ATOM 0 HB ILE A 68 1.253 1.034 -9.039 1.00 0.00 H new ATOM 0 HG12 ILE A 68 2.503 3.182 -8.435 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.423 2.978 -9.912 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.031 1.117 -7.335 1.00 0.00 H new ATOM 0 HG22 ILE A 68 3.064 -0.415 -8.241 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.257 0.856 -8.599 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.481 4.469 -10.288 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.314 2.975 -11.242 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.379 3.183 -9.741 1.00 0.00 H new ATOM 1037 N ASP A 69 4.919 0.829 -10.458 1.00 0.00 N ATOM 1038 CA ASP A 69 6.296 0.258 -10.418 1.00 0.00 C ATOM 1039 C ASP A 69 6.648 0.111 -8.957 1.00 0.00 C ATOM 1040 O ASP A 69 6.329 0.945 -8.134 1.00 0.00 O ATOM 1041 CB ASP A 69 7.251 1.201 -11.122 1.00 0.00 C ATOM 1042 CG ASP A 69 8.676 0.936 -10.635 1.00 0.00 C ATOM 1043 OD1 ASP A 69 9.264 -0.028 -11.094 1.00 0.00 O ATOM 1044 OD2 ASP A 69 9.152 1.700 -9.813 1.00 0.00 O ATOM 0 H ASP A 69 4.840 1.810 -10.191 1.00 0.00 H new ATOM 0 HA ASP A 69 6.360 -0.706 -10.924 1.00 0.00 H new ATOM 0 HB2 ASP A 69 7.191 1.059 -12.201 1.00 0.00 H new ATOM 0 HB3 ASP A 69 6.972 2.235 -10.921 1.00 0.00 H new ATOM 1049 N PRO A 70 7.189 -1.015 -8.689 1.00 0.00 N ATOM 1050 CA PRO A 70 7.499 -1.452 -7.342 1.00 0.00 C ATOM 1051 C PRO A 70 8.985 -1.413 -7.002 1.00 0.00 C ATOM 1052 O PRO A 70 9.373 -1.671 -5.888 1.00 0.00 O ATOM 1053 CB PRO A 70 7.003 -2.882 -7.435 1.00 0.00 C ATOM 1054 CG PRO A 70 6.953 -3.196 -8.939 1.00 0.00 C ATOM 1055 CD PRO A 70 7.594 -2.058 -9.604 1.00 0.00 C ATOM 0 HA PRO A 70 7.060 -0.828 -6.564 1.00 0.00 H new ATOM 0 HB2 PRO A 70 7.672 -3.565 -6.912 1.00 0.00 H new ATOM 0 HB3 PRO A 70 6.019 -2.988 -6.978 1.00 0.00 H new ATOM 0 HG2 PRO A 70 7.477 -4.126 -9.162 1.00 0.00 H new ATOM 0 HG3 PRO A 70 5.925 -3.320 -9.279 1.00 0.00 H new ATOM 0 HD2 PRO A 70 8.677 -2.163 -9.672 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.225 -1.898 -10.617 1.00 0.00 H new ATOM 1063 N ASN A 71 9.820 -1.100 -7.927 1.00 0.00 N ATOM 1064 CA ASN A 71 11.264 -1.069 -7.615 1.00 0.00 C ATOM 1065 C ASN A 71 11.762 0.365 -7.749 1.00 0.00 C ATOM 1066 O ASN A 71 12.142 0.802 -8.811 1.00 0.00 O ATOM 1067 CB ASN A 71 11.911 -1.988 -8.660 1.00 0.00 C ATOM 1068 CG ASN A 71 11.331 -1.687 -10.046 1.00 0.00 C ATOM 1069 OD1 ASN A 71 11.437 -0.579 -10.530 1.00 0.00 O ATOM 1070 ND2 ASN A 71 10.714 -2.630 -10.712 1.00 0.00 N ATOM 0 H ASN A 71 9.572 -0.863 -8.888 1.00 0.00 H new ATOM 0 HA ASN A 71 11.500 -1.400 -6.604 1.00 0.00 H new ATOM 0 HB2 ASN A 71 12.991 -1.841 -8.668 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.733 -3.031 -8.400 1.00 0.00 H new ATOM 0 HD21 ASN A 71 10.325 -2.432 -11.634 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.623 -3.563 -10.309 1.00 0.00 H new ATOM 1077 N ALA A 72 11.769 1.104 -6.677 1.00 0.00 N ATOM 1078 CA ALA A 72 12.242 2.506 -6.753 1.00 0.00 C ATOM 1079 C ALA A 72 13.771 2.517 -6.788 1.00 0.00 C ATOM 1080 O ALA A 72 14.388 3.550 -6.626 1.00 0.00 O ATOM 1081 CB ALA A 72 11.735 3.174 -5.475 1.00 0.00 C ATOM 0 H ALA A 72 11.467 0.795 -5.753 1.00 0.00 H new ATOM 0 HA ALA A 72 11.883 3.023 -7.643 1.00 0.00 H new ATOM 0 HB1 ALA A 72 12.048 4.218 -5.461 1.00 0.00 H new ATOM 0 HB2 ALA A 72 10.647 3.121 -5.444 1.00 0.00 H new ATOM 0 HB3 ALA A 72 12.148 2.660 -4.607 1.00 0.00 H new ATOM 1087 N CYS A 73 14.403 1.378 -6.992 1.00 0.00 N ATOM 1088 CA CYS A 73 15.869 1.371 -7.023 1.00 0.00 C ATOM 1089 C CYS A 73 16.309 1.934 -8.353 1.00 0.00 C ATOM 1090 O CYS A 73 17.350 2.547 -8.476 1.00 0.00 O ATOM 1091 CB CYS A 73 16.205 -0.088 -6.878 1.00 0.00 C ATOM 1092 SG CYS A 73 17.899 -0.409 -7.439 1.00 0.00 S ATOM 0 H CYS A 73 13.954 0.473 -7.135 1.00 0.00 H new ATOM 0 HA CYS A 73 16.358 1.968 -6.253 1.00 0.00 H new ATOM 0 HB2 CYS A 73 16.097 -0.390 -5.836 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.504 -0.688 -7.458 1.00 0.00 H new ATOM 1097 N HIS A 74 15.462 1.823 -9.326 1.00 0.00 N ATOM 1098 CA HIS A 74 15.758 2.448 -10.609 1.00 0.00 C ATOM 1099 C HIS A 74 15.218 3.879 -10.530 1.00 0.00 C ATOM 1100 O HIS A 74 15.014 4.546 -11.525 1.00 0.00 O ATOM 1101 CB HIS A 74 15.085 1.660 -11.732 1.00 0.00 C ATOM 1102 CG HIS A 74 14.799 0.262 -11.294 1.00 0.00 C ATOM 1103 ND1 HIS A 74 15.669 -0.398 -10.473 1.00 0.00 N ATOM 1104 CD2 HIS A 74 13.775 -0.612 -11.553 1.00 0.00 C ATOM 1105 CE1 HIS A 74 15.173 -1.629 -10.251 1.00 0.00 C ATOM 1106 NE2 HIS A 74 14.012 -1.813 -10.890 1.00 0.00 N ATOM 0 H HIS A 74 14.575 1.321 -9.277 1.00 0.00 H new ATOM 0 HA HIS A 74 16.827 2.459 -10.820 1.00 0.00 H new ATOM 0 HB2 HIS A 74 14.157 2.152 -12.024 1.00 0.00 H new ATOM 0 HB3 HIS A 74 15.729 1.647 -12.611 1.00 0.00 H new ATOM 0 HD1 HIS A 74 16.540 -0.024 -10.095 1.00 0.00 H new ATOM 0 HD2 HIS A 74 12.917 -0.401 -12.175 1.00 0.00 H new ATOM 0 HE1 HIS A 74 15.652 -2.375 -9.634 1.00 0.00 H new ATOM 1114 N TYR A 75 14.994 4.345 -9.314 1.00 0.00 N ATOM 1115 CA TYR A 75 14.488 5.692 -9.086 1.00 0.00 C ATOM 1116 C TYR A 75 15.288 6.382 -7.974 1.00 0.00 C ATOM 1117 O TYR A 75 15.162 7.574 -7.775 1.00 0.00 O ATOM 1118 CB TYR A 75 13.001 5.600 -8.716 1.00 0.00 C ATOM 1119 CG TYR A 75 12.231 4.655 -9.652 1.00 0.00 C ATOM 1120 CD1 TYR A 75 12.591 3.297 -9.808 1.00 0.00 C ATOM 1121 CD2 TYR A 75 11.139 5.157 -10.382 1.00 0.00 C ATOM 1122 CE1 TYR A 75 11.866 2.477 -10.689 1.00 0.00 C ATOM 1123 CE2 TYR A 75 10.420 4.328 -11.249 1.00 0.00 C ATOM 1124 CZ TYR A 75 10.786 2.993 -11.406 1.00 0.00 C ATOM 1125 OH TYR A 75 10.090 2.187 -12.283 1.00 0.00 O ATOM 0 H TYR A 75 15.155 3.808 -8.462 1.00 0.00 H new ATOM 0 HA TYR A 75 14.600 6.290 -9.991 1.00 0.00 H new ATOM 0 HB2 TYR A 75 12.904 5.250 -7.688 1.00 0.00 H new ATOM 0 HB3 TYR A 75 12.555 6.594 -8.758 1.00 0.00 H new ATOM 0 HD1 TYR A 75 13.422 2.890 -9.251 1.00 0.00 H new ATOM 0 HD2 TYR A 75 10.853 6.193 -10.272 1.00 0.00 H new ATOM 0 HE1 TYR A 75 12.146 1.441 -10.812 1.00 0.00 H new ATOM 0 HE2 TYR A 75 9.579 4.724 -11.798 1.00 0.00 H new ATOM 0 HH TYR A 75 10.408 1.264 -12.202 1.00 0.00 H new ATOM 1135 N MET A 76 16.125 5.666 -7.240 1.00 0.00 N ATOM 1136 CA MET A 76 16.892 6.337 -6.189 1.00 0.00 C ATOM 1137 C MET A 76 18.068 5.519 -5.690 1.00 0.00 C ATOM 1138 O MET A 76 18.007 4.335 -5.429 1.00 0.00 O ATOM 1139 CB MET A 76 15.926 6.678 -5.081 1.00 0.00 C ATOM 1140 CG MET A 76 15.676 5.446 -4.352 1.00 0.00 C ATOM 1141 SD MET A 76 13.931 5.318 -3.887 1.00 0.00 S ATOM 1142 CE MET A 76 14.044 3.758 -2.977 1.00 0.00 C ATOM 0 H MET A 76 16.291 4.665 -7.340 1.00 0.00 H new ATOM 0 HA MET A 76 17.347 7.241 -6.593 1.00 0.00 H new ATOM 0 HB2 MET A 76 16.345 7.439 -4.423 1.00 0.00 H new ATOM 0 HB3 MET A 76 14.999 7.083 -5.487 1.00 0.00 H new ATOM 0 HG2 MET A 76 15.957 4.591 -4.967 1.00 0.00 H new ATOM 0 HG3 MET A 76 16.299 5.414 -3.458 1.00 0.00 H new ATOM 0 HE1 MET A 76 13.075 3.523 -2.536 1.00 0.00 H new ATOM 0 HE2 MET A 76 14.335 2.959 -3.659 1.00 0.00 H new ATOM 0 HE3 MET A 76 14.790 3.851 -2.187 1.00 0.00 H new ATOM 1152 N LYS A 77 19.138 6.224 -5.609 1.00 0.00 N ATOM 1153 CA LYS A 77 20.454 5.708 -5.184 1.00 0.00 C ATOM 1154 C LYS A 77 20.397 4.338 -4.572 1.00 0.00 C ATOM 1155 O LYS A 77 20.176 4.123 -3.397 1.00 0.00 O ATOM 1156 CB LYS A 77 21.027 6.741 -4.215 1.00 0.00 C ATOM 1157 CG LYS A 77 19.994 7.058 -3.139 1.00 0.00 C ATOM 1158 CD LYS A 77 20.425 6.418 -1.824 1.00 0.00 C ATOM 1159 CE LYS A 77 21.155 7.456 -0.968 1.00 0.00 C ATOM 1160 NZ LYS A 77 22.558 7.451 -1.468 1.00 0.00 N ATOM 0 H LYS A 77 19.156 7.218 -5.839 1.00 0.00 H new ATOM 0 HA LYS A 77 21.095 5.577 -6.056 1.00 0.00 H new ATOM 0 HB2 LYS A 77 21.939 6.359 -3.757 1.00 0.00 H new ATOM 0 HB3 LYS A 77 21.297 7.649 -4.753 1.00 0.00 H new ATOM 0 HG2 LYS A 77 19.898 8.137 -3.017 1.00 0.00 H new ATOM 0 HG3 LYS A 77 19.015 6.682 -3.436 1.00 0.00 H new ATOM 0 HD2 LYS A 77 19.555 6.037 -1.290 1.00 0.00 H new ATOM 0 HD3 LYS A 77 21.077 5.567 -2.018 1.00 0.00 H new ATOM 0 HE2 LYS A 77 20.702 8.442 -1.072 1.00 0.00 H new ATOM 0 HE3 LYS A 77 21.112 7.196 0.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 23.167 7.964 -0.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 22.891 6.470 -1.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 22.597 7.915 -2.398 1.00 0.00 H new ATOM 1174 N CYS A 78 20.646 3.437 -5.429 1.00 0.00 N ATOM 1175 CA CYS A 78 20.696 2.012 -5.114 1.00 0.00 C ATOM 1176 C CYS A 78 22.168 1.571 -5.083 1.00 0.00 C ATOM 1177 O CYS A 78 22.964 2.087 -5.844 1.00 0.00 O ATOM 1178 CB CYS A 78 19.983 1.448 -6.292 1.00 0.00 C ATOM 1179 SG CYS A 78 19.057 -0.032 -5.827 1.00 0.00 S ATOM 0 H CYS A 78 20.832 3.642 -6.411 1.00 0.00 H new ATOM 0 HA CYS A 78 20.266 1.712 -4.158 1.00 0.00 H new ATOM 0 HB2 CYS A 78 19.303 2.194 -6.704 1.00 0.00 H new ATOM 0 HB3 CYS A 78 20.701 1.203 -7.075 1.00 0.00 H new ATOM 1184 N PRO A 79 22.511 0.654 -4.216 1.00 0.00 N ATOM 1185 CA PRO A 79 21.541 0.030 -3.293 1.00 0.00 C ATOM 1186 C PRO A 79 21.248 0.904 -2.073 1.00 0.00 C ATOM 1187 O PRO A 79 21.932 1.863 -1.775 1.00 0.00 O ATOM 1188 CB PRO A 79 22.241 -1.252 -2.854 1.00 0.00 C ATOM 1189 CG PRO A 79 23.679 -1.031 -3.061 1.00 0.00 C ATOM 1190 CD PRO A 79 23.860 0.121 -4.019 1.00 0.00 C ATOM 0 HA PRO A 79 20.576 -0.130 -3.774 1.00 0.00 H new ATOM 0 HB2 PRO A 79 22.028 -1.472 -1.808 1.00 0.00 H new ATOM 0 HB3 PRO A 79 21.891 -2.104 -3.436 1.00 0.00 H new ATOM 0 HG2 PRO A 79 24.168 -0.813 -2.112 1.00 0.00 H new ATOM 0 HG3 PRO A 79 24.146 -1.931 -3.461 1.00 0.00 H new ATOM 0 HD2 PRO A 79 24.529 0.877 -3.608 1.00 0.00 H new ATOM 0 HD3 PRO A 79 24.296 -0.212 -4.961 1.00 0.00 H new ATOM 1198 N LEU A 80 20.217 0.539 -1.379 1.00 0.00 N ATOM 1199 CA LEU A 80 19.776 1.260 -0.160 1.00 0.00 C ATOM 1200 C LEU A 80 20.435 0.666 1.094 1.00 0.00 C ATOM 1201 O LEU A 80 20.417 -0.540 1.329 1.00 0.00 O ATOM 1202 CB LEU A 80 18.262 1.042 -0.167 1.00 0.00 C ATOM 1203 CG LEU A 80 17.623 1.909 -1.261 1.00 0.00 C ATOM 1204 CD1 LEU A 80 18.642 2.356 -2.336 1.00 0.00 C ATOM 1205 CD2 LEU A 80 16.527 1.102 -1.949 1.00 0.00 C ATOM 0 H LEU A 80 19.636 -0.265 -1.617 1.00 0.00 H new ATOM 0 HA LEU A 80 20.050 2.315 -0.150 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.036 -0.010 -0.344 1.00 0.00 H new ATOM 0 HB3 LEU A 80 17.843 1.299 0.806 1.00 0.00 H new ATOM 0 HG LEU A 80 17.227 2.803 -0.780 1.00 0.00 H new ATOM 0 HD11 LEU A 80 18.137 2.966 -3.085 1.00 0.00 H new ATOM 0 HD12 LEU A 80 19.434 2.940 -1.866 1.00 0.00 H new ATOM 0 HD13 LEU A 80 19.074 1.478 -2.815 1.00 0.00 H new ATOM 0 HD21 LEU A 80 16.065 1.707 -2.729 1.00 0.00 H new ATOM 0 HD22 LEU A 80 16.960 0.206 -2.394 1.00 0.00 H new ATOM 0 HD23 LEU A 80 15.772 0.815 -1.217 1.00 0.00 H new ATOM 1217 N VAL A 81 21.044 1.522 1.875 1.00 0.00 N ATOM 1218 CA VAL A 81 21.738 1.100 3.099 1.00 0.00 C ATOM 1219 C VAL A 81 20.954 1.439 4.354 1.00 0.00 C ATOM 1220 O VAL A 81 20.255 2.421 4.477 1.00 0.00 O ATOM 1221 CB VAL A 81 23.089 1.790 3.098 1.00 0.00 C ATOM 1222 CG1 VAL A 81 24.093 0.927 3.864 1.00 0.00 C ATOM 1223 CG2 VAL A 81 23.586 1.994 1.661 1.00 0.00 C ATOM 0 H VAL A 81 21.082 2.526 1.696 1.00 0.00 H new ATOM 0 HA VAL A 81 21.848 0.016 3.107 1.00 0.00 H new ATOM 0 HB VAL A 81 22.990 2.764 3.577 1.00 0.00 H new ATOM 0 HG11 VAL A 81 25.066 1.417 3.867 1.00 0.00 H new ATOM 0 HG12 VAL A 81 23.750 0.794 4.890 1.00 0.00 H new ATOM 0 HG13 VAL A 81 24.179 -0.047 3.381 1.00 0.00 H new ATOM 0 HG21 VAL A 81 24.556 2.490 1.679 1.00 0.00 H new ATOM 0 HG22 VAL A 81 23.682 1.026 1.168 1.00 0.00 H new ATOM 0 HG23 VAL A 81 22.873 2.611 1.114 1.00 0.00 H new ATOM 1233 N LYS A 82 21.043 0.515 5.224 1.00 0.00 N ATOM 1234 CA LYS A 82 20.318 0.491 6.529 1.00 0.00 C ATOM 1235 C LYS A 82 20.341 1.767 7.339 1.00 0.00 C ATOM 1236 O LYS A 82 21.352 2.267 7.791 1.00 0.00 O ATOM 1237 CB LYS A 82 20.944 -0.662 7.279 1.00 0.00 C ATOM 1238 CG LYS A 82 20.157 -1.056 8.515 1.00 0.00 C ATOM 1239 CD LYS A 82 20.762 -0.488 9.683 1.00 0.00 C ATOM 1240 CE LYS A 82 21.926 -1.365 9.932 1.00 0.00 C ATOM 1241 NZ LYS A 82 22.797 -0.652 10.906 1.00 0.00 N ATOM 0 H LYS A 82 21.636 -0.303 5.088 1.00 0.00 H new ATOM 0 HA LYS A 82 19.250 0.377 6.344 1.00 0.00 H new ATOM 0 HB2 LYS A 82 21.022 -1.522 6.614 1.00 0.00 H new ATOM 0 HB3 LYS A 82 21.959 -0.391 7.571 1.00 0.00 H new ATOM 0 HG2 LYS A 82 19.127 -0.712 8.425 1.00 0.00 H new ATOM 0 HG3 LYS A 82 20.124 -2.142 8.604 1.00 0.00 H new ATOM 0 HD2 LYS A 82 21.067 0.545 9.515 1.00 0.00 H new ATOM 0 HD3 LYS A 82 20.075 -0.484 10.529 1.00 0.00 H new ATOM 0 HE2 LYS A 82 21.607 -2.328 10.331 1.00 0.00 H new ATOM 0 HE3 LYS A 82 22.464 -1.566 9.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 23.634 -1.233 11.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 23.099 0.257 10.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 22.268 -0.481 11.785 1.00 0.00 H new ATOM 1255 N GLY A 83 19.156 2.244 7.516 1.00 0.00 N ATOM 1256 CA GLY A 83 18.873 3.463 8.292 1.00 0.00 C ATOM 1257 C GLY A 83 18.339 4.496 7.345 1.00 0.00 C ATOM 1258 O GLY A 83 17.739 5.482 7.724 1.00 0.00 O ATOM 0 H GLY A 83 18.320 1.808 7.128 1.00 0.00 H new ATOM 0 HA2 GLY A 83 18.148 3.255 9.079 1.00 0.00 H new ATOM 0 HA3 GLY A 83 19.778 3.824 8.780 1.00 0.00 H new ATOM 1262 N GLN A 84 18.557 4.256 6.109 1.00 0.00 N ATOM 1263 CA GLN A 84 18.078 5.187 5.100 1.00 0.00 C ATOM 1264 C GLN A 84 16.600 5.110 4.941 1.00 0.00 C ATOM 1265 O GLN A 84 16.006 4.069 4.713 1.00 0.00 O ATOM 1266 CB GLN A 84 18.783 4.934 3.797 1.00 0.00 C ATOM 1267 CG GLN A 84 20.275 5.203 3.973 1.00 0.00 C ATOM 1268 CD GLN A 84 20.978 5.287 2.596 1.00 0.00 C ATOM 1269 OE1 GLN A 84 20.285 5.372 1.468 1.00 0.00 O flip ATOM 1270 NE2 GLN A 84 22.191 5.272 2.541 1.00 0.00 N flip ATOM 0 H GLN A 84 19.055 3.441 5.750 1.00 0.00 H new ATOM 0 HA GLN A 84 18.307 6.200 5.430 1.00 0.00 H new ATOM 0 HB2 GLN A 84 18.622 3.905 3.477 1.00 0.00 H new ATOM 0 HB3 GLN A 84 18.375 5.578 3.018 1.00 0.00 H new ATOM 0 HG2 GLN A 84 20.420 6.135 4.519 1.00 0.00 H new ATOM 0 HG3 GLN A 84 20.725 4.410 4.570 1.00 0.00 H new ATOM 0 HE21 GLN A 84 22.740 5.207 3.398 1.00 0.00 H new ATOM 0 HE22 GLN A 84 22.661 5.324 1.637 1.00 0.00 H new ATOM 1279 N GLN A 85 16.022 6.236 5.055 1.00 0.00 N ATOM 1280 CA GLN A 85 14.544 6.330 4.893 1.00 0.00 C ATOM 1281 C GLN A 85 14.228 5.937 3.469 1.00 0.00 C ATOM 1282 O GLN A 85 14.974 6.199 2.549 1.00 0.00 O ATOM 1283 CB GLN A 85 14.125 7.790 5.189 1.00 0.00 C ATOM 1284 CG GLN A 85 14.123 8.634 3.902 1.00 0.00 C ATOM 1285 CD GLN A 85 13.992 10.126 4.264 1.00 0.00 C ATOM 1286 OE1 GLN A 85 13.822 10.503 5.519 1.00 0.00 O flip ATOM 1287 NE2 GLN A 85 14.042 10.969 3.392 1.00 0.00 N flip ATOM 0 H GLN A 85 16.495 7.117 5.255 1.00 0.00 H new ATOM 0 HA GLN A 85 14.002 5.673 5.573 1.00 0.00 H new ATOM 0 HB2 GLN A 85 13.132 7.803 5.639 1.00 0.00 H new ATOM 0 HB3 GLN A 85 14.810 8.229 5.915 1.00 0.00 H new ATOM 0 HG2 GLN A 85 15.043 8.464 3.342 1.00 0.00 H new ATOM 0 HG3 GLN A 85 13.297 8.332 3.258 1.00 0.00 H new ATOM 0 HE21 GLN A 85 14.173 10.690 2.420 1.00 0.00 H new ATOM 0 HE22 GLN A 85 13.953 11.956 3.632 1.00 0.00 H new ATOM 1296 N TYR A 86 13.135 5.300 3.300 1.00 0.00 N ATOM 1297 CA TYR A 86 12.733 4.847 1.969 1.00 0.00 C ATOM 1298 C TYR A 86 11.237 4.985 1.865 1.00 0.00 C ATOM 1299 O TYR A 86 10.480 4.498 2.684 1.00 0.00 O ATOM 1300 CB TYR A 86 13.174 3.389 1.894 1.00 0.00 C ATOM 1301 CG TYR A 86 14.678 3.387 1.780 1.00 0.00 C ATOM 1302 CD1 TYR A 86 15.296 4.286 0.903 1.00 0.00 C ATOM 1303 CD2 TYR A 86 15.462 2.519 2.547 1.00 0.00 C ATOM 1304 CE1 TYR A 86 16.672 4.322 0.788 1.00 0.00 C ATOM 1305 CE2 TYR A 86 16.846 2.558 2.427 1.00 0.00 C ATOM 1306 CZ TYR A 86 17.456 3.458 1.549 1.00 0.00 C ATOM 1307 OH TYR A 86 18.828 3.483 1.431 1.00 0.00 O ATOM 0 H TYR A 86 12.482 5.066 4.048 1.00 0.00 H new ATOM 0 HA TYR A 86 13.175 5.418 1.153 1.00 0.00 H new ATOM 0 HB2 TYR A 86 12.854 2.843 2.782 1.00 0.00 H new ATOM 0 HB3 TYR A 86 12.722 2.893 1.035 1.00 0.00 H new ATOM 0 HD1 TYR A 86 14.692 4.957 0.311 1.00 0.00 H new ATOM 0 HD2 TYR A 86 14.995 1.823 3.228 1.00 0.00 H new ATOM 0 HE1 TYR A 86 17.140 5.019 0.109 1.00 0.00 H new ATOM 0 HE2 TYR A 86 17.454 1.888 3.016 1.00 0.00 H new ATOM 0 HH TYR A 86 19.133 4.411 1.355 1.00 0.00 H new ATOM 1317 N ASP A 87 10.818 5.675 0.874 1.00 0.00 N ATOM 1318 CA ASP A 87 9.371 5.898 0.694 1.00 0.00 C ATOM 1319 C ASP A 87 8.927 5.267 -0.602 1.00 0.00 C ATOM 1320 O ASP A 87 9.472 5.499 -1.663 1.00 0.00 O ATOM 1321 CB ASP A 87 9.168 7.423 0.665 1.00 0.00 C ATOM 1322 CG ASP A 87 10.224 8.062 -0.241 1.00 0.00 C ATOM 1323 OD1 ASP A 87 10.777 7.350 -1.063 1.00 0.00 O ATOM 1324 OD2 ASP A 87 10.460 9.249 -0.096 1.00 0.00 O ATOM 0 H ASP A 87 11.416 6.103 0.167 1.00 0.00 H new ATOM 0 HA ASP A 87 8.783 5.451 1.496 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.169 7.661 0.300 1.00 0.00 H new ATOM 0 HB3 ASP A 87 9.244 7.830 1.673 1.00 0.00 H new ATOM 1329 N ILE A 88 7.930 4.463 -0.498 1.00 0.00 N ATOM 1330 CA ILE A 88 7.392 3.770 -1.690 1.00 0.00 C ATOM 1331 C ILE A 88 6.032 4.356 -2.004 1.00 0.00 C ATOM 1332 O ILE A 88 5.402 4.995 -1.186 1.00 0.00 O ATOM 1333 CB ILE A 88 7.295 2.286 -1.316 1.00 0.00 C ATOM 1334 CG1 ILE A 88 7.132 1.436 -2.542 1.00 0.00 C ATOM 1335 CG2 ILE A 88 6.114 2.047 -0.372 1.00 0.00 C ATOM 1336 CD1 ILE A 88 8.433 0.676 -2.847 1.00 0.00 C ATOM 0 H ILE A 88 7.451 4.248 0.376 1.00 0.00 H new ATOM 0 HA ILE A 88 8.020 3.888 -2.573 1.00 0.00 H new ATOM 0 HB ILE A 88 8.221 2.008 -0.813 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.316 0.728 -2.395 1.00 0.00 H new ATOM 0 HG13 ILE A 88 6.862 2.062 -3.392 1.00 0.00 H new ATOM 0 HG21 ILE A 88 6.060 0.989 -0.117 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.251 2.633 0.537 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.189 2.349 -0.863 1.00 0.00 H new ATOM 0 HD11 ILE A 88 8.297 0.065 -3.739 1.00 0.00 H new ATOM 0 HD12 ILE A 88 9.240 1.389 -3.016 1.00 0.00 H new ATOM 0 HD13 ILE A 88 8.686 0.035 -2.003 1.00 0.00 H new ATOM 1348 N LYS A 89 5.602 4.175 -3.202 1.00 0.00 N ATOM 1349 CA LYS A 89 4.304 4.754 -3.608 1.00 0.00 C ATOM 1350 C LYS A 89 3.631 3.927 -4.697 1.00 0.00 C ATOM 1351 O LYS A 89 4.264 3.214 -5.448 1.00 0.00 O ATOM 1352 CB LYS A 89 4.681 6.128 -4.142 1.00 0.00 C ATOM 1353 CG LYS A 89 3.503 6.716 -4.914 1.00 0.00 C ATOM 1354 CD LYS A 89 3.851 8.134 -5.372 1.00 0.00 C ATOM 1355 CE LYS A 89 3.940 9.056 -4.154 1.00 0.00 C ATOM 1356 NZ LYS A 89 4.557 10.311 -4.669 1.00 0.00 N ATOM 0 H LYS A 89 6.092 3.649 -3.926 1.00 0.00 H new ATOM 0 HA LYS A 89 3.591 4.787 -2.784 1.00 0.00 H new ATOM 0 HB2 LYS A 89 4.955 6.787 -3.318 1.00 0.00 H new ATOM 0 HB3 LYS A 89 5.553 6.051 -4.792 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.271 6.091 -5.776 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.614 6.734 -4.284 1.00 0.00 H new ATOM 0 HD2 LYS A 89 4.799 8.132 -5.910 1.00 0.00 H new ATOM 0 HD3 LYS A 89 3.093 8.500 -6.064 1.00 0.00 H new ATOM 0 HE2 LYS A 89 2.954 9.246 -3.729 1.00 0.00 H new ATOM 0 HE3 LYS A 89 4.547 8.612 -3.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 4.652 10.995 -3.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 5.497 10.100 -5.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 3.953 10.714 -5.414 1.00 0.00 H new ATOM 1370 N TYR A 90 2.342 4.054 -4.793 1.00 0.00 N ATOM 1371 CA TYR A 90 1.584 3.319 -5.842 1.00 0.00 C ATOM 1372 C TYR A 90 0.355 4.137 -6.213 1.00 0.00 C ATOM 1373 O TYR A 90 -0.303 4.660 -5.331 1.00 0.00 O ATOM 1374 CB TYR A 90 1.149 2.001 -5.207 1.00 0.00 C ATOM 1375 CG TYR A 90 0.090 1.371 -6.104 1.00 0.00 C ATOM 1376 CD1 TYR A 90 -1.227 1.868 -6.121 1.00 0.00 C ATOM 1377 CD2 TYR A 90 0.434 0.319 -6.958 1.00 0.00 C ATOM 1378 CE1 TYR A 90 -2.173 1.308 -6.984 1.00 0.00 C ATOM 1379 CE2 TYR A 90 -0.519 -0.234 -7.810 1.00 0.00 C ATOM 1380 CZ TYR A 90 -1.821 0.260 -7.827 1.00 0.00 C ATOM 1381 OH TYR A 90 -2.763 -0.288 -8.673 1.00 0.00 O ATOM 0 H TYR A 90 1.773 4.642 -4.184 1.00 0.00 H new ATOM 0 HA TYR A 90 2.180 3.148 -6.738 1.00 0.00 H new ATOM 0 HB2 TYR A 90 2.002 1.332 -5.097 1.00 0.00 H new ATOM 0 HB3 TYR A 90 0.748 2.174 -4.208 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -1.506 2.681 -5.468 1.00 0.00 H new ATOM 0 HD2 TYR A 90 1.443 -0.066 -6.957 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -3.183 1.691 -6.996 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -0.247 -1.051 -8.462 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.828 -1.252 -8.510 1.00 0.00 H new ATOM 1391 N THR A 91 0.008 4.240 -7.452 1.00 0.00 N ATOM 1392 CA THR A 91 -1.213 5.016 -7.828 1.00 0.00 C ATOM 1393 C THR A 91 -1.722 4.481 -9.154 1.00 0.00 C ATOM 1394 O THR A 91 -1.046 4.521 -10.162 1.00 0.00 O ATOM 1395 CB THR A 91 -0.740 6.467 -7.953 1.00 0.00 C ATOM 1396 OG1 THR A 91 -1.750 7.240 -8.586 1.00 0.00 O ATOM 1397 CG2 THR A 91 0.539 6.518 -8.788 1.00 0.00 C ATOM 0 H THR A 91 0.513 3.822 -8.233 1.00 0.00 H new ATOM 0 HA THR A 91 -2.025 4.938 -7.105 1.00 0.00 H new ATOM 0 HB THR A 91 -0.541 6.871 -6.960 1.00 0.00 H new ATOM 0 HG1 THR A 91 -1.449 8.169 -8.665 1.00 0.00 H new ATOM 0 HG21 THR A 91 0.875 7.551 -8.876 1.00 0.00 H new ATOM 0 HG22 THR A 91 1.314 5.925 -8.303 1.00 0.00 H new ATOM 0 HG23 THR A 91 0.341 6.114 -9.781 1.00 0.00 H new ATOM 1405 N TRP A 92 -2.894 3.933 -9.138 1.00 0.00 N ATOM 1406 CA TRP A 92 -3.446 3.332 -10.381 1.00 0.00 C ATOM 1407 C TRP A 92 -4.961 3.586 -10.461 1.00 0.00 C ATOM 1408 O TRP A 92 -5.691 3.113 -9.617 1.00 0.00 O ATOM 1409 CB TRP A 92 -3.172 1.863 -10.169 1.00 0.00 C ATOM 1410 CG TRP A 92 -3.007 1.164 -11.480 1.00 0.00 C ATOM 1411 CD1 TRP A 92 -1.889 1.193 -12.245 1.00 0.00 C ATOM 1412 CD2 TRP A 92 -3.960 0.322 -12.181 1.00 0.00 C ATOM 1413 NE1 TRP A 92 -2.111 0.442 -13.389 1.00 0.00 N ATOM 1414 CE2 TRP A 92 -3.374 -0.117 -13.391 1.00 0.00 C ATOM 1415 CE3 TRP A 92 -5.267 -0.087 -11.886 1.00 0.00 C ATOM 1416 CZ2 TRP A 92 -4.067 -0.941 -14.280 1.00 0.00 C ATOM 1417 CZ3 TRP A 92 -5.969 -0.919 -12.776 1.00 0.00 C ATOM 1418 CH2 TRP A 92 -5.370 -1.342 -13.972 1.00 0.00 C ATOM 0 H TRP A 92 -3.499 3.873 -8.319 1.00 0.00 H new ATOM 0 HA TRP A 92 -3.017 3.733 -11.299 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -2.271 1.739 -9.568 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -3.992 1.411 -9.611 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -0.975 1.715 -12.003 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -1.427 0.318 -14.136 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -5.738 0.238 -10.970 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -3.600 -1.266 -15.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -6.974 -1.234 -12.538 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -5.915 -1.977 -14.654 1.00 0.00 H new ATOM 1429 N ASN A 93 -5.480 4.325 -11.420 1.00 0.00 N ATOM 1430 CA ASN A 93 -6.950 4.544 -11.406 1.00 0.00 C ATOM 1431 C ASN A 93 -7.683 3.266 -11.875 1.00 0.00 C ATOM 1432 O ASN A 93 -7.102 2.405 -12.507 1.00 0.00 O ATOM 1433 CB ASN A 93 -7.180 5.689 -12.395 1.00 0.00 C ATOM 1434 CG ASN A 93 -7.031 5.168 -13.830 1.00 0.00 C ATOM 1435 OD1 ASN A 93 -7.958 4.399 -14.343 1.00 0.00 O flip ATOM 1436 ND2 ASN A 93 -6.059 5.465 -14.495 1.00 0.00 N flip ATOM 0 H ASN A 93 -4.965 4.767 -12.181 1.00 0.00 H new ATOM 0 HA ASN A 93 -7.328 4.778 -10.411 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -8.175 6.112 -12.252 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -6.464 6.490 -12.212 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.334 6.064 -14.100 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -5.968 5.116 -15.449 1.00 0.00 H new ATOM 1443 N VAL A 94 -8.948 3.137 -11.558 1.00 0.00 N ATOM 1444 CA VAL A 94 -9.736 1.937 -11.949 1.00 0.00 C ATOM 1445 C VAL A 94 -11.223 2.338 -12.043 1.00 0.00 C ATOM 1446 O VAL A 94 -11.629 3.417 -11.546 1.00 0.00 O ATOM 1447 CB VAL A 94 -9.468 0.896 -10.836 1.00 0.00 C ATOM 1448 CG1 VAL A 94 -10.764 0.473 -10.130 1.00 0.00 C ATOM 1449 CG2 VAL A 94 -8.830 -0.342 -11.459 1.00 0.00 C ATOM 0 H VAL A 94 -9.476 3.833 -11.032 1.00 0.00 H new ATOM 0 HA VAL A 94 -9.461 1.523 -12.919 1.00 0.00 H new ATOM 0 HB VAL A 94 -8.807 1.353 -10.099 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -10.534 -0.259 -9.355 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -11.233 1.346 -9.677 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -11.446 0.031 -10.856 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -8.637 -1.082 -10.682 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.506 -0.764 -12.203 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -7.891 -0.065 -11.938 1.00 0.00 H new ATOM 1459 N PRO A 95 -12.013 1.470 -12.651 1.00 0.00 N ATOM 1460 CA PRO A 95 -13.425 1.767 -12.858 1.00 0.00 C ATOM 1461 C PRO A 95 -13.987 2.512 -11.682 1.00 0.00 C ATOM 1462 O PRO A 95 -13.474 2.454 -10.577 1.00 0.00 O ATOM 1463 CB PRO A 95 -14.037 0.396 -13.134 1.00 0.00 C ATOM 1464 CG PRO A 95 -13.005 -0.545 -12.636 1.00 0.00 C ATOM 1465 CD PRO A 95 -11.745 0.114 -13.103 1.00 0.00 C ATOM 0 HA PRO A 95 -13.640 2.441 -13.687 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -14.985 0.266 -12.612 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -14.235 0.250 -14.196 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -13.035 -0.649 -11.551 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -13.125 -1.544 -13.056 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -10.853 -0.313 -12.646 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -11.612 0.049 -14.183 1.00 0.00 H new ATOM 1473 N LYS A 96 -14.951 3.323 -11.922 1.00 0.00 N ATOM 1474 CA LYS A 96 -15.397 4.151 -10.827 1.00 0.00 C ATOM 1475 C LYS A 96 -16.312 3.442 -9.836 1.00 0.00 C ATOM 1476 O LYS A 96 -16.428 3.815 -8.688 1.00 0.00 O ATOM 1477 CB LYS A 96 -16.021 5.292 -11.457 1.00 0.00 C ATOM 1478 CG LYS A 96 -14.831 6.126 -11.858 1.00 0.00 C ATOM 1479 CD LYS A 96 -14.078 5.439 -12.982 1.00 0.00 C ATOM 1480 CE LYS A 96 -13.367 6.479 -13.853 1.00 0.00 C ATOM 1481 NZ LYS A 96 -11.997 6.603 -13.275 1.00 0.00 N ATOM 0 H LYS A 96 -15.435 3.441 -12.812 1.00 0.00 H new ATOM 0 HA LYS A 96 -14.557 4.440 -10.195 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -16.624 5.002 -12.318 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -16.680 5.826 -10.772 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -15.160 7.115 -12.179 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -14.172 6.271 -11.002 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -13.350 4.741 -12.569 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -14.770 4.856 -13.590 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -13.328 6.160 -14.894 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -13.891 7.435 -13.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -11.451 7.300 -13.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -12.065 6.916 -12.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -11.519 5.680 -13.315 1.00 0.00 H new ATOM 1495 N ILE A 97 -16.969 2.429 -10.288 1.00 0.00 N ATOM 1496 CA ILE A 97 -17.901 1.679 -9.414 1.00 0.00 C ATOM 1497 C ILE A 97 -17.797 0.157 -9.621 1.00 0.00 C ATOM 1498 O ILE A 97 -18.788 -0.544 -9.671 1.00 0.00 O ATOM 1499 CB ILE A 97 -19.255 2.215 -9.756 1.00 0.00 C ATOM 1500 CG1 ILE A 97 -19.924 2.353 -8.456 1.00 0.00 C ATOM 1501 CG2 ILE A 97 -20.038 1.347 -10.754 1.00 0.00 C ATOM 1502 CD1 ILE A 97 -21.445 2.202 -8.551 1.00 0.00 C ATOM 0 H ILE A 97 -16.902 2.078 -11.243 1.00 0.00 H new ATOM 0 HA ILE A 97 -17.670 1.817 -8.358 1.00 0.00 H new ATOM 0 HB ILE A 97 -19.187 3.164 -10.288 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -19.531 1.603 -7.769 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -19.686 3.329 -8.032 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -21.008 1.803 -10.950 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -19.478 1.270 -11.686 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -20.183 0.352 -10.335 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -21.884 2.314 -7.560 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -21.846 2.969 -9.214 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -21.689 1.216 -8.947 1.00 0.00 H new ATOM 1514 N ALA A 98 -16.603 -0.367 -9.733 1.00 0.00 N ATOM 1515 CA ALA A 98 -16.459 -1.837 -9.930 1.00 0.00 C ATOM 1516 C ALA A 98 -16.749 -2.572 -8.620 1.00 0.00 C ATOM 1517 O ALA A 98 -17.738 -3.265 -8.517 1.00 0.00 O ATOM 1518 CB ALA A 98 -15.014 -2.072 -10.387 1.00 0.00 C ATOM 0 H ALA A 98 -15.729 0.157 -9.697 1.00 0.00 H new ATOM 0 HA ALA A 98 -17.163 -2.216 -10.671 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -14.852 -3.138 -10.547 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -14.835 -1.534 -11.318 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -14.327 -1.711 -9.621 1.00 0.00 H new ATOM 1524 N PRO A 99 -15.885 -2.393 -7.652 1.00 0.00 N ATOM 1525 CA PRO A 99 -16.076 -3.050 -6.338 1.00 0.00 C ATOM 1526 C PRO A 99 -17.246 -2.490 -5.661 1.00 0.00 C ATOM 1527 O PRO A 99 -17.841 -1.508 -6.059 1.00 0.00 O ATOM 1528 CB PRO A 99 -14.754 -2.823 -5.609 1.00 0.00 C ATOM 1529 CG PRO A 99 -14.189 -1.592 -6.245 1.00 0.00 C ATOM 1530 CD PRO A 99 -14.666 -1.574 -7.677 1.00 0.00 C ATOM 0 HA PRO A 99 -16.290 -4.117 -6.396 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -14.908 -2.683 -4.539 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -14.084 -3.675 -5.726 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -14.521 -0.698 -5.717 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -13.100 -1.601 -6.202 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -14.873 -0.559 -8.017 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -13.919 -1.990 -8.353 1.00 0.00 H new ATOM 1538 N LYS A 100 -17.698 -3.262 -4.746 1.00 0.00 N ATOM 1539 CA LYS A 100 -18.964 -2.954 -4.153 1.00 0.00 C ATOM 1540 C LYS A 100 -18.760 -2.442 -2.741 1.00 0.00 C ATOM 1541 O LYS A 100 -18.486 -3.221 -1.854 1.00 0.00 O ATOM 1542 CB LYS A 100 -19.717 -4.294 -4.188 1.00 0.00 C ATOM 1543 CG LYS A 100 -19.163 -5.222 -5.266 1.00 0.00 C ATOM 1544 CD LYS A 100 -18.985 -4.418 -6.548 1.00 0.00 C ATOM 1545 CE LYS A 100 -20.128 -4.797 -7.448 1.00 0.00 C ATOM 1546 NZ LYS A 100 -19.571 -4.815 -8.829 1.00 0.00 N ATOM 0 H LYS A 100 -17.231 -4.096 -4.390 1.00 0.00 H new ATOM 0 HA LYS A 100 -19.518 -2.170 -4.670 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -19.642 -4.780 -3.215 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -20.776 -4.112 -4.373 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -18.210 -5.646 -4.949 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -19.843 -6.057 -5.434 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -18.993 -3.348 -6.340 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -18.028 -4.644 -7.019 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -20.532 -5.772 -7.177 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -20.945 -4.080 -7.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -20.350 -4.836 -9.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -18.996 -3.962 -8.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -18.977 -5.660 -8.953 1.00 0.00 H new ATOM 1560 N SER A 101 -18.860 -1.155 -2.514 1.00 0.00 N ATOM 1561 CA SER A 101 -18.634 -0.665 -1.100 1.00 0.00 C ATOM 1562 C SER A 101 -19.337 -1.597 -0.149 1.00 0.00 C ATOM 1563 O SER A 101 -20.529 -1.562 0.067 1.00 0.00 O ATOM 1564 CB SER A 101 -19.152 0.766 -0.983 1.00 0.00 C ATOM 1565 OG SER A 101 -20.421 0.871 -1.616 1.00 0.00 O ATOM 0 H SER A 101 -19.079 -0.441 -3.208 1.00 0.00 H new ATOM 0 HA SER A 101 -17.573 -0.659 -0.849 1.00 0.00 H new ATOM 0 HB2 SER A 101 -19.234 1.048 0.067 1.00 0.00 H new ATOM 0 HB3 SER A 101 -18.447 1.457 -1.445 1.00 0.00 H new ATOM 0 HG SER A 101 -20.989 0.123 -1.336 1.00 0.00 H new ATOM 1571 N GLU A 102 -18.548 -2.450 0.392 1.00 0.00 N ATOM 1572 CA GLU A 102 -19.064 -3.475 1.356 1.00 0.00 C ATOM 1573 C GLU A 102 -17.991 -4.075 2.125 1.00 0.00 C ATOM 1574 O GLU A 102 -18.122 -4.442 3.276 1.00 0.00 O ATOM 1575 CB GLU A 102 -19.489 -4.754 0.600 1.00 0.00 C ATOM 1576 CG GLU A 102 -20.629 -4.460 -0.376 1.00 0.00 C ATOM 1577 CD GLU A 102 -20.771 -5.625 -1.360 1.00 0.00 C ATOM 1578 OE1 GLU A 102 -19.836 -6.400 -1.467 1.00 0.00 O ATOM 1579 OE2 GLU A 102 -21.812 -5.720 -1.988 1.00 0.00 O ATOM 0 H GLU A 102 -17.544 -2.497 0.216 1.00 0.00 H new ATOM 0 HA GLU A 102 -19.829 -2.948 1.925 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -18.636 -5.160 0.057 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -19.804 -5.515 1.314 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -21.561 -4.315 0.170 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -20.430 -3.535 -0.917 1.00 0.00 H new ATOM 1586 N ASN A 103 -17.058 -4.502 1.355 1.00 0.00 N ATOM 1587 CA ASN A 103 -16.163 -5.437 1.940 1.00 0.00 C ATOM 1588 C ASN A 103 -14.841 -5.535 1.216 1.00 0.00 C ATOM 1589 O ASN A 103 -14.587 -6.452 0.467 1.00 0.00 O ATOM 1590 CB ASN A 103 -17.097 -6.594 1.661 1.00 0.00 C ATOM 1591 CG ASN A 103 -16.431 -7.929 1.987 1.00 0.00 C ATOM 1592 OD1 ASN A 103 -15.285 -7.954 2.629 1.00 0.00 O flip ATOM 1593 ND2 ASN A 103 -16.957 -8.974 1.657 1.00 0.00 N flip ATOM 0 H ASN A 103 -16.896 -4.243 0.382 1.00 0.00 H new ATOM 0 HA ASN A 103 -15.810 -5.275 2.959 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -18.005 -6.483 2.253 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -17.396 -6.580 0.613 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -17.847 -8.962 1.158 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -16.509 -9.863 1.879 1.00 0.00 H new ATOM 1600 N VAL A 104 -13.994 -4.608 1.464 1.00 0.00 N ATOM 1601 CA VAL A 104 -12.652 -4.636 0.813 1.00 0.00 C ATOM 1602 C VAL A 104 -11.548 -4.180 1.789 1.00 0.00 C ATOM 1603 O VAL A 104 -11.681 -3.184 2.472 1.00 0.00 O ATOM 1604 CB VAL A 104 -12.715 -3.702 -0.385 1.00 0.00 C ATOM 1605 CG1 VAL A 104 -11.428 -3.797 -1.202 1.00 0.00 C ATOM 1606 CG2 VAL A 104 -13.960 -3.941 -1.273 1.00 0.00 C ATOM 0 H VAL A 104 -14.158 -3.820 2.091 1.00 0.00 H new ATOM 0 HA VAL A 104 -12.405 -5.652 0.505 1.00 0.00 H new ATOM 0 HB VAL A 104 -12.812 -2.689 0.006 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -11.489 -3.123 -2.056 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -10.579 -3.517 -0.578 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -11.296 -4.820 -1.556 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -13.948 -3.244 -2.111 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -13.947 -4.963 -1.651 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -14.863 -3.784 -0.683 1.00 0.00 H new ATOM 1616 N VAL A 105 -10.452 -4.904 1.842 1.00 0.00 N ATOM 1617 CA VAL A 105 -9.324 -4.543 2.739 1.00 0.00 C ATOM 1618 C VAL A 105 -8.023 -4.710 1.964 1.00 0.00 C ATOM 1619 O VAL A 105 -7.744 -5.750 1.401 1.00 0.00 O ATOM 1620 CB VAL A 105 -9.408 -5.548 3.893 1.00 0.00 C ATOM 1621 CG1 VAL A 105 -8.162 -5.439 4.771 1.00 0.00 C ATOM 1622 CG2 VAL A 105 -10.652 -5.253 4.733 1.00 0.00 C ATOM 0 H VAL A 105 -10.297 -5.745 1.287 1.00 0.00 H new ATOM 0 HA VAL A 105 -9.365 -3.517 3.105 1.00 0.00 H new ATOM 0 HB VAL A 105 -9.471 -6.557 3.486 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -8.229 -6.156 5.589 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -7.276 -5.652 4.173 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -8.091 -4.430 5.178 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -10.714 -5.967 5.555 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -10.588 -4.242 5.135 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -11.541 -5.340 4.109 1.00 0.00 H new ATOM 1632 N VAL A 106 -7.243 -3.676 1.915 1.00 0.00 N ATOM 1633 CA VAL A 106 -5.960 -3.754 1.150 1.00 0.00 C ATOM 1634 C VAL A 106 -4.760 -3.816 2.066 1.00 0.00 C ATOM 1635 O VAL A 106 -4.651 -3.118 3.037 1.00 0.00 O ATOM 1636 CB VAL A 106 -5.939 -2.520 0.253 1.00 0.00 C ATOM 1637 CG1 VAL A 106 -5.126 -1.381 0.885 1.00 0.00 C ATOM 1638 CG2 VAL A 106 -5.322 -2.925 -1.084 1.00 0.00 C ATOM 0 H VAL A 106 -7.429 -2.780 2.366 1.00 0.00 H new ATOM 0 HA VAL A 106 -5.905 -4.668 0.559 1.00 0.00 H new ATOM 0 HB VAL A 106 -6.956 -2.153 0.116 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -5.132 -0.517 0.220 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -5.569 -1.105 1.842 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -4.099 -1.711 1.043 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -5.293 -2.061 -1.748 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -4.308 -3.291 -0.921 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -5.923 -3.712 -1.539 1.00 0.00 H new ATOM 1648 N THR A 107 -3.851 -4.641 1.719 1.00 0.00 N ATOM 1649 CA THR A 107 -2.604 -4.795 2.518 1.00 0.00 C ATOM 1650 C THR A 107 -1.455 -4.728 1.535 1.00 0.00 C ATOM 1651 O THR A 107 -1.303 -5.613 0.709 1.00 0.00 O ATOM 1652 CB THR A 107 -2.693 -6.165 3.113 1.00 0.00 C ATOM 1653 OG1 THR A 107 -4.053 -6.570 3.198 1.00 0.00 O ATOM 1654 CG2 THR A 107 -2.058 -6.128 4.502 1.00 0.00 C ATOM 0 H THR A 107 -3.905 -5.240 0.895 1.00 0.00 H new ATOM 0 HA THR A 107 -2.469 -4.040 3.293 1.00 0.00 H new ATOM 0 HB THR A 107 -2.165 -6.883 2.486 1.00 0.00 H new ATOM 0 HG1 THR A 107 -4.103 -7.468 3.587 1.00 0.00 H new ATOM 0 HG21 THR A 107 -2.113 -7.119 4.954 1.00 0.00 H new ATOM 0 HG22 THR A 107 -1.014 -5.825 4.417 1.00 0.00 H new ATOM 0 HG23 THR A 107 -2.593 -5.414 5.128 1.00 0.00 H new ATOM 1662 N VAL A 108 -0.665 -3.701 1.538 1.00 0.00 N ATOM 1663 CA VAL A 108 0.416 -3.672 0.516 1.00 0.00 C ATOM 1664 C VAL A 108 1.754 -3.532 1.222 1.00 0.00 C ATOM 1665 O VAL A 108 1.889 -2.886 2.231 1.00 0.00 O ATOM 1666 CB VAL A 108 0.062 -2.500 -0.432 1.00 0.00 C ATOM 1667 CG1 VAL A 108 0.808 -2.581 -1.763 1.00 0.00 C ATOM 1668 CG2 VAL A 108 -1.461 -2.447 -0.682 1.00 0.00 C ATOM 0 H VAL A 108 -0.711 -2.906 2.175 1.00 0.00 H new ATOM 0 HA VAL A 108 0.498 -4.583 -0.076 1.00 0.00 H new ATOM 0 HB VAL A 108 0.380 -1.584 0.065 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.524 -1.736 -2.391 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.882 -2.553 -1.580 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.550 -3.512 -2.268 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.691 -1.617 -1.350 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.788 -3.382 -1.138 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.981 -2.305 0.266 1.00 0.00 H new ATOM 1678 N LYS A 109 2.728 -4.208 0.696 1.00 0.00 N ATOM 1679 CA LYS A 109 4.072 -4.211 1.335 1.00 0.00 C ATOM 1680 C LYS A 109 5.188 -4.096 0.308 1.00 0.00 C ATOM 1681 O LYS A 109 5.138 -4.645 -0.773 1.00 0.00 O ATOM 1682 CB LYS A 109 4.141 -5.529 2.054 1.00 0.00 C ATOM 1683 CG LYS A 109 5.539 -5.912 2.306 1.00 0.00 C ATOM 1684 CD LYS A 109 6.113 -6.637 1.094 1.00 0.00 C ATOM 1685 CE LYS A 109 6.400 -8.081 1.486 1.00 0.00 C ATOM 1686 NZ LYS A 109 6.059 -8.886 0.279 1.00 0.00 N ATOM 0 H LYS A 109 2.654 -4.764 -0.156 1.00 0.00 H new ATOM 0 HA LYS A 109 4.204 -3.359 2.002 1.00 0.00 H new ATOM 0 HB2 LYS A 109 3.601 -5.462 2.999 1.00 0.00 H new ATOM 0 HB3 LYS A 109 3.649 -6.299 1.460 1.00 0.00 H new ATOM 0 HG2 LYS A 109 6.133 -5.024 2.523 1.00 0.00 H new ATOM 0 HG3 LYS A 109 5.595 -6.556 3.184 1.00 0.00 H new ATOM 0 HD2 LYS A 109 5.408 -6.603 0.263 1.00 0.00 H new ATOM 0 HD3 LYS A 109 7.027 -6.147 0.757 1.00 0.00 H new ATOM 0 HE2 LYS A 109 7.445 -8.213 1.766 1.00 0.00 H new ATOM 0 HE3 LYS A 109 5.800 -8.383 2.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 6.279 -9.887 0.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 5.045 -8.786 0.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 6.614 -8.547 -0.532 1.00 0.00 H new ATOM 1700 N VAL A 110 6.209 -3.423 0.689 1.00 0.00 N ATOM 1701 CA VAL A 110 7.395 -3.263 -0.160 1.00 0.00 C ATOM 1702 C VAL A 110 8.402 -4.337 0.295 1.00 0.00 C ATOM 1703 O VAL A 110 8.721 -4.416 1.481 1.00 0.00 O ATOM 1704 CB VAL A 110 7.903 -1.859 0.139 1.00 0.00 C ATOM 1705 CG1 VAL A 110 9.387 -1.725 -0.243 1.00 0.00 C ATOM 1706 CG2 VAL A 110 7.071 -0.842 -0.644 1.00 0.00 C ATOM 0 H VAL A 110 6.275 -2.956 1.593 1.00 0.00 H new ATOM 0 HA VAL A 110 7.216 -3.379 -1.229 1.00 0.00 H new ATOM 0 HB VAL A 110 7.806 -1.669 1.208 1.00 0.00 H new ATOM 0 HG11 VAL A 110 9.730 -0.714 -0.021 1.00 0.00 H new ATOM 0 HG12 VAL A 110 9.976 -2.442 0.329 1.00 0.00 H new ATOM 0 HG13 VAL A 110 9.508 -1.924 -1.308 1.00 0.00 H new ATOM 0 HG21 VAL A 110 7.432 0.164 -0.432 1.00 0.00 H new ATOM 0 HG22 VAL A 110 7.162 -1.043 -1.712 1.00 0.00 H new ATOM 0 HG23 VAL A 110 6.025 -0.922 -0.347 1.00 0.00 H new ATOM 1716 N MET A 111 8.884 -5.165 -0.626 1.00 0.00 N ATOM 1717 CA MET A 111 9.860 -6.255 -0.272 1.00 0.00 C ATOM 1718 C MET A 111 11.225 -5.837 -0.763 1.00 0.00 C ATOM 1719 O MET A 111 11.422 -5.577 -1.932 1.00 0.00 O ATOM 1720 CB MET A 111 9.348 -7.499 -1.009 1.00 0.00 C ATOM 1721 CG MET A 111 10.514 -8.363 -1.524 1.00 0.00 C ATOM 1722 SD MET A 111 10.902 -7.932 -3.237 1.00 0.00 S ATOM 1723 CE MET A 111 10.969 -9.620 -3.886 1.00 0.00 C ATOM 0 H MET A 111 8.636 -5.125 -1.615 1.00 0.00 H new ATOM 0 HA MET A 111 9.940 -6.450 0.797 1.00 0.00 H new ATOM 0 HB2 MET A 111 8.723 -8.090 -0.339 1.00 0.00 H new ATOM 0 HB3 MET A 111 8.720 -7.195 -1.846 1.00 0.00 H new ATOM 0 HG2 MET A 111 11.392 -8.213 -0.896 1.00 0.00 H new ATOM 0 HG3 MET A 111 10.251 -9.419 -1.458 1.00 0.00 H new ATOM 0 HE1 MET A 111 11.004 -9.590 -4.975 1.00 0.00 H new ATOM 0 HE2 MET A 111 11.860 -10.120 -3.508 1.00 0.00 H new ATOM 0 HE3 MET A 111 10.082 -10.168 -3.567 1.00 0.00 H new ATOM 1733 N GLY A 112 12.146 -5.707 0.119 1.00 0.00 N ATOM 1734 CA GLY A 112 13.496 -5.219 -0.305 1.00 0.00 C ATOM 1735 C GLY A 112 14.343 -6.282 -1.033 1.00 0.00 C ATOM 1736 O GLY A 112 13.897 -6.962 -1.936 1.00 0.00 O ATOM 0 H GLY A 112 12.043 -5.911 1.113 1.00 0.00 H new ATOM 0 HA2 GLY A 112 13.371 -4.357 -0.960 1.00 0.00 H new ATOM 0 HA3 GLY A 112 14.040 -4.875 0.575 1.00 0.00 H new ATOM 1740 N ASP A 113 15.597 -6.354 -0.656 1.00 0.00 N ATOM 1741 CA ASP A 113 16.591 -7.274 -1.296 1.00 0.00 C ATOM 1742 C ASP A 113 16.613 -8.635 -0.644 1.00 0.00 C ATOM 1743 O ASP A 113 17.341 -9.526 -1.034 1.00 0.00 O ATOM 1744 CB ASP A 113 17.923 -6.566 -1.081 1.00 0.00 C ATOM 1745 CG ASP A 113 18.391 -6.762 0.364 1.00 0.00 C ATOM 1746 OD1 ASP A 113 17.558 -6.692 1.252 1.00 0.00 O ATOM 1747 OD2 ASP A 113 19.577 -6.977 0.557 1.00 0.00 O ATOM 0 H ASP A 113 15.987 -5.790 0.099 1.00 0.00 H new ATOM 0 HA ASP A 113 16.355 -7.459 -2.344 1.00 0.00 H new ATOM 0 HB2 ASP A 113 18.669 -6.960 -1.771 1.00 0.00 H new ATOM 0 HB3 ASP A 113 17.819 -5.503 -1.297 1.00 0.00 H new ATOM 1752 N ASP A 114 15.820 -8.793 0.334 1.00 0.00 N ATOM 1753 CA ASP A 114 15.761 -10.068 1.030 1.00 0.00 C ATOM 1754 C ASP A 114 14.318 -10.501 1.252 1.00 0.00 C ATOM 1755 O ASP A 114 14.048 -11.589 1.720 1.00 0.00 O ATOM 1756 CB ASP A 114 16.510 -9.887 2.341 1.00 0.00 C ATOM 1757 CG ASP A 114 16.069 -8.588 3.016 1.00 0.00 C ATOM 1758 OD1 ASP A 114 14.879 -8.320 3.022 1.00 0.00 O ATOM 1759 OD2 ASP A 114 16.930 -7.883 3.517 1.00 0.00 O ATOM 0 H ASP A 114 15.191 -8.075 0.693 1.00 0.00 H new ATOM 0 HA ASP A 114 16.222 -10.860 0.441 1.00 0.00 H new ATOM 0 HB2 ASP A 114 16.317 -10.733 3.000 1.00 0.00 H new ATOM 0 HB3 ASP A 114 17.584 -9.865 2.156 1.00 0.00 H new ATOM 1764 N GLY A 115 13.390 -9.673 0.889 1.00 0.00 N ATOM 1765 CA GLY A 115 11.981 -10.021 1.031 1.00 0.00 C ATOM 1766 C GLY A 115 11.430 -9.488 2.285 1.00 0.00 C ATOM 1767 O GLY A 115 11.261 -10.138 3.295 1.00 0.00 O ATOM 0 H GLY A 115 13.565 -8.750 0.491 1.00 0.00 H new ATOM 0 HA2 GLY A 115 11.418 -9.626 0.185 1.00 0.00 H new ATOM 0 HA3 GLY A 115 11.867 -11.105 1.011 1.00 0.00 H new ATOM 1771 N VAL A 116 11.102 -8.293 2.096 1.00 0.00 N ATOM 1772 CA VAL A 116 10.422 -7.410 3.113 1.00 0.00 C ATOM 1773 C VAL A 116 11.025 -6.002 3.172 1.00 0.00 C ATOM 1774 O VAL A 116 12.188 -5.790 2.892 1.00 0.00 O ATOM 1775 CB VAL A 116 10.528 -8.071 4.475 1.00 0.00 C ATOM 1776 CG1 VAL A 116 11.995 -8.155 4.888 1.00 0.00 C ATOM 1777 CG2 VAL A 116 9.748 -7.222 5.475 1.00 0.00 C ATOM 0 H VAL A 116 11.277 -7.815 1.212 1.00 0.00 H new ATOM 0 HA VAL A 116 9.380 -7.293 2.814 1.00 0.00 H new ATOM 0 HB VAL A 116 10.118 -9.081 4.444 1.00 0.00 H new ATOM 0 HG11 VAL A 116 12.071 -8.630 5.866 1.00 0.00 H new ATOM 0 HG12 VAL A 116 12.546 -8.744 4.155 1.00 0.00 H new ATOM 0 HG13 VAL A 116 12.417 -7.151 4.938 1.00 0.00 H new ATOM 0 HG21 VAL A 116 9.809 -7.677 6.464 1.00 0.00 H new ATOM 0 HG22 VAL A 116 10.173 -6.219 5.510 1.00 0.00 H new ATOM 0 HG23 VAL A 116 8.704 -7.163 5.166 1.00 0.00 H new ATOM 1787 N LEU A 117 10.223 -5.041 3.557 1.00 0.00 N ATOM 1788 CA LEU A 117 10.703 -3.632 3.672 1.00 0.00 C ATOM 1789 C LEU A 117 9.744 -2.815 4.534 1.00 0.00 C ATOM 1790 O LEU A 117 10.113 -2.284 5.563 1.00 0.00 O ATOM 1791 CB LEU A 117 10.771 -3.114 2.251 1.00 0.00 C ATOM 1792 CG LEU A 117 11.854 -2.035 2.139 1.00 0.00 C ATOM 1793 CD1 LEU A 117 11.733 -1.047 3.301 1.00 0.00 C ATOM 1794 CD2 LEU A 117 13.237 -2.692 2.175 1.00 0.00 C ATOM 0 H LEU A 117 9.242 -5.177 3.800 1.00 0.00 H new ATOM 0 HA LEU A 117 11.676 -3.561 4.157 1.00 0.00 H new ATOM 0 HB2 LEU A 117 10.990 -3.933 1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 117 9.805 -2.703 1.958 1.00 0.00 H new ATOM 0 HG LEU A 117 11.725 -1.500 1.198 1.00 0.00 H new ATOM 0 HD11 LEU A 117 12.507 -0.284 3.212 1.00 0.00 H new ATOM 0 HD12 LEU A 117 10.752 -0.573 3.275 1.00 0.00 H new ATOM 0 HD13 LEU A 117 11.854 -1.579 4.245 1.00 0.00 H new ATOM 0 HD21 LEU A 117 14.007 -1.924 2.095 1.00 0.00 H new ATOM 0 HD22 LEU A 117 13.359 -3.232 3.114 1.00 0.00 H new ATOM 0 HD23 LEU A 117 13.331 -3.388 1.341 1.00 0.00 H new ATOM 1806 N ALA A 118 8.511 -2.727 4.131 1.00 0.00 N ATOM 1807 CA ALA A 118 7.506 -1.950 4.948 1.00 0.00 C ATOM 1808 C ALA A 118 6.119 -2.315 4.478 1.00 0.00 C ATOM 1809 O ALA A 118 5.818 -2.248 3.317 1.00 0.00 O ATOM 1810 CB ALA A 118 7.809 -0.473 4.686 1.00 0.00 C ATOM 0 H ALA A 118 8.144 -3.152 3.279 1.00 0.00 H new ATOM 0 HA ALA A 118 7.564 -2.168 6.014 1.00 0.00 H new ATOM 0 HB1 ALA A 118 7.113 0.147 5.251 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.829 -0.250 4.998 1.00 0.00 H new ATOM 0 HB3 ALA A 118 7.701 -0.263 3.622 1.00 0.00 H new ATOM 1816 N CYS A 119 5.272 -2.726 5.347 1.00 0.00 N ATOM 1817 CA CYS A 119 3.913 -3.143 4.862 1.00 0.00 C ATOM 1818 C CYS A 119 2.788 -2.583 5.698 1.00 0.00 C ATOM 1819 O CYS A 119 2.820 -2.571 6.913 1.00 0.00 O ATOM 1820 CB CYS A 119 3.925 -4.666 4.869 1.00 0.00 C ATOM 1821 SG CYS A 119 3.370 -5.316 6.435 1.00 0.00 S ATOM 0 H CYS A 119 5.433 -2.799 6.352 1.00 0.00 H new ATOM 0 HA CYS A 119 3.724 -2.746 3.865 1.00 0.00 H new ATOM 0 HB2 CYS A 119 3.284 -5.040 4.071 1.00 0.00 H new ATOM 0 HB3 CYS A 119 4.933 -5.024 4.662 1.00 0.00 H new ATOM 1826 N ALA A 120 1.790 -2.106 5.022 1.00 0.00 N ATOM 1827 CA ALA A 120 0.630 -1.516 5.742 1.00 0.00 C ATOM 1828 C ALA A 120 -0.694 -1.810 5.049 1.00 0.00 C ATOM 1829 O ALA A 120 -0.838 -1.748 3.832 1.00 0.00 O ATOM 1830 CB ALA A 120 0.899 -0.005 5.784 1.00 0.00 C ATOM 0 H ALA A 120 1.723 -2.097 4.004 1.00 0.00 H new ATOM 0 HA ALA A 120 0.536 -1.947 6.739 1.00 0.00 H new ATOM 0 HB1 ALA A 120 0.081 0.496 6.302 1.00 0.00 H new ATOM 0 HB2 ALA A 120 1.833 0.184 6.313 1.00 0.00 H new ATOM 0 HB3 ALA A 120 0.974 0.380 4.767 1.00 0.00 H new ATOM 1836 N ILE A 121 -1.648 -2.159 5.855 1.00 0.00 N ATOM 1837 CA ILE A 121 -3.003 -2.493 5.372 1.00 0.00 C ATOM 1838 C ILE A 121 -4.004 -1.382 5.723 1.00 0.00 C ATOM 1839 O ILE A 121 -3.755 -0.544 6.564 1.00 0.00 O ATOM 1840 CB ILE A 121 -3.284 -3.770 6.093 1.00 0.00 C ATOM 1841 CG1 ILE A 121 -4.428 -4.459 5.565 1.00 0.00 C ATOM 1842 CG2 ILE A 121 -3.429 -3.565 7.582 1.00 0.00 C ATOM 1843 CD1 ILE A 121 -5.736 -3.777 5.965 1.00 0.00 C ATOM 0 H ILE A 121 -1.537 -2.228 6.867 1.00 0.00 H new ATOM 0 HA ILE A 121 -3.084 -2.591 4.289 1.00 0.00 H new ATOM 0 HB ILE A 121 -2.412 -4.403 5.925 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -4.357 -4.501 4.478 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -4.430 -5.488 5.924 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -3.633 -4.522 8.063 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -2.506 -3.146 7.983 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -4.253 -2.879 7.776 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -6.577 -4.329 5.546 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -5.819 -3.759 7.052 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -5.746 -2.756 5.583 1.00 0.00 H new ATOM 1855 N ALA A 122 -5.128 -1.374 5.069 1.00 0.00 N ATOM 1856 CA ALA A 122 -6.172 -0.350 5.316 1.00 0.00 C ATOM 1857 C ALA A 122 -7.550 -0.969 4.967 1.00 0.00 C ATOM 1858 O ALA A 122 -7.620 -1.926 4.212 1.00 0.00 O ATOM 1859 CB ALA A 122 -5.828 0.795 4.357 1.00 0.00 C ATOM 0 H ALA A 122 -5.372 -2.057 4.352 1.00 0.00 H new ATOM 0 HA ALA A 122 -6.212 -0.002 6.348 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -6.555 1.599 4.475 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -4.830 1.172 4.583 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -5.854 0.430 3.330 1.00 0.00 H new