USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 819 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 98 SER OG : rot 150:sc= -0.151 USER MOD Set 1.2: A 99 ASN : amide:sc= -1.63 K(o=-1.8,f=0.89) USER MOD Set 2.1: A 88 CYS SG : rot 180:sc= -0.84 USER MOD Set 2.2: A 95 SER OG : rot -145:sc=-0.00835 USER MOD Set 3.1: A 39 THR OG1 : rot 80:sc= -0.931 USER MOD Set 3.2: A 90 ASN : amide:sc= -6.54! C(o=-7.5!,f=-20!) USER MOD Set 4.1: A 45 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 61 LYS NZ :NH3+ 157:sc= 0.245 (180deg=0.0888) USER MOD Set 5.1: A 31 TYR OH : rot 159:sc= -1.13! USER MOD Set 5.2: A 36 ASN : amide:sc= -2.59! C(o=-3.7!,f=-6.5!) USER MOD Set 6.1: A 17 THR OG1 : rot 150:sc= 0 USER MOD Set 6.2: A 101 MET CE :methyl -114:sc= -0.0232 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -56:sc= 0.0608 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -2.4 K(o=-2.4,f=-5.6!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc=-0.00583 USER MOD Single : A 26 MET CE :methyl 167:sc= -8.63! (180deg=-9.82!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl -124:sc= -0.216 (180deg=-4.19!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.293 K(o=-0.29,f=0.89) USER MOD Single : A 38 ASN : amide:sc= -0.669 K(o=-0.67,f=-4.3!) USER MOD Single : A 42 HIS : no HE2:sc= -0.5 X(o=-0.5,f=-0.79) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.542 USER MOD Single : A 48 TYR OH : rot -46:sc= 1.22 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 0:sc= -0.658 USER MOD Single : A 55 ASN : amide:sc= -3.09! X(o=-3.1!,f=-3.3) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 110:sc= -2.33 USER MOD Single : A 71 HIS : no HD1:sc= -0.325 X(o=-0.33,f=0) USER MOD Single : A 72 SER OG : rot -10:sc= 0.932 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 GLN : amide:sc= -2.94 K(o=-2.9,f=-7.9!) USER MOD Single : A 80 THR OG1 : rot 56:sc= 0.143 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= -6.65! USER MOD Single : A 85 LYS NZ :NH3+ -158:sc= 1.22 (180deg=0.808) USER MOD Single : A 86 MET CE :methyl -148:sc= -0.561 (180deg=-2.59!) USER MOD Single : A 87 GLN : amide:sc= -5.54! K(o=-5.5!,f=-3.4) USER MOD Single : A 103 CYS SG : rot -110:sc= -0.0206 USER MOD Single : A 105 THR OG1 : rot 171:sc= 2.1 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 28:sc= 0.618 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.181 18.178 -10.266 1.00 0.00 N ATOM 2 CA GLY A 1 24.604 17.994 -10.049 1.00 0.00 C ATOM 3 C GLY A 1 24.905 17.297 -8.737 1.00 0.00 C ATOM 4 O GLY A 1 24.675 16.096 -8.597 1.00 0.00 O ATOM 0 H1 GLY A 1 23.028 18.658 -11.176 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.709 17.251 -10.280 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.785 18.756 -9.498 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.021 17.412 -10.870 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.099 18.965 -10.063 1.00 0.00 H new ATOM 8 N SER A 2 25.424 18.051 -7.774 1.00 0.00 N ATOM 9 CA SER A 2 25.763 17.497 -6.468 1.00 0.00 C ATOM 10 C SER A 2 24.507 17.066 -5.718 1.00 0.00 C ATOM 11 O SER A 2 23.691 17.898 -5.321 1.00 0.00 O ATOM 12 CB SER A 2 26.537 18.525 -5.640 1.00 0.00 C ATOM 13 OG SER A 2 26.870 18.006 -4.364 1.00 0.00 O ATOM 0 H SER A 2 25.619 19.047 -7.873 1.00 0.00 H new ATOM 0 HA SER A 2 26.391 16.620 -6.625 1.00 0.00 H new ATOM 0 HB2 SER A 2 27.446 18.811 -6.168 1.00 0.00 H new ATOM 0 HB3 SER A 2 25.938 19.428 -5.524 1.00 0.00 H new ATOM 0 HG SER A 2 27.365 18.681 -3.855 1.00 0.00 H new ATOM 19 N SER A 3 24.358 15.759 -5.529 1.00 0.00 N ATOM 20 CA SER A 3 23.199 15.214 -4.831 1.00 0.00 C ATOM 21 C SER A 3 21.915 15.894 -5.296 1.00 0.00 C ATOM 22 O SER A 3 21.073 16.277 -4.486 1.00 0.00 O ATOM 23 CB SER A 3 23.361 15.386 -3.319 1.00 0.00 C ATOM 24 OG SER A 3 22.468 14.544 -2.611 1.00 0.00 O ATOM 0 H SER A 3 25.025 15.057 -5.849 1.00 0.00 H new ATOM 0 HA SER A 3 23.132 14.151 -5.064 1.00 0.00 H new ATOM 0 HB2 SER A 3 24.387 15.156 -3.032 1.00 0.00 H new ATOM 0 HB3 SER A 3 23.179 16.426 -3.047 1.00 0.00 H new ATOM 0 HG SER A 3 21.550 14.723 -2.902 1.00 0.00 H new ATOM 30 N GLY A 4 21.773 16.040 -6.610 1.00 0.00 N ATOM 31 CA GLY A 4 20.590 16.674 -7.163 1.00 0.00 C ATOM 32 C GLY A 4 19.734 15.709 -7.958 1.00 0.00 C ATOM 33 O GLY A 4 19.751 15.723 -9.189 1.00 0.00 O ATOM 0 H GLY A 4 22.456 15.731 -7.301 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.997 17.099 -6.353 1.00 0.00 H new ATOM 0 HA3 GLY A 4 20.891 17.502 -7.805 1.00 0.00 H new ATOM 37 N SER A 5 18.984 14.867 -7.254 1.00 0.00 N ATOM 38 CA SER A 5 18.121 13.887 -7.903 1.00 0.00 C ATOM 39 C SER A 5 16.675 14.373 -7.936 1.00 0.00 C ATOM 40 O SER A 5 16.159 14.887 -6.944 1.00 0.00 O ATOM 41 CB SER A 5 18.203 12.544 -7.175 1.00 0.00 C ATOM 42 OG SER A 5 17.473 11.544 -7.866 1.00 0.00 O ATOM 0 H SER A 5 18.957 14.844 -6.235 1.00 0.00 H new ATOM 0 HA SER A 5 18.466 13.758 -8.929 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.246 12.240 -7.083 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.812 12.651 -6.163 1.00 0.00 H new ATOM 0 HG SER A 5 17.542 10.695 -7.382 1.00 0.00 H new ATOM 48 N SER A 6 16.027 14.207 -9.084 1.00 0.00 N ATOM 49 CA SER A 6 14.642 14.632 -9.249 1.00 0.00 C ATOM 50 C SER A 6 13.681 13.551 -8.763 1.00 0.00 C ATOM 51 O SER A 6 13.849 12.372 -9.069 1.00 0.00 O ATOM 52 CB SER A 6 14.359 14.960 -10.716 1.00 0.00 C ATOM 53 OG SER A 6 15.098 16.094 -11.137 1.00 0.00 O ATOM 0 H SER A 6 16.439 13.781 -9.914 1.00 0.00 H new ATOM 0 HA SER A 6 14.488 15.528 -8.648 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.615 14.103 -11.339 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.293 15.146 -10.851 1.00 0.00 H new ATOM 0 HG SER A 6 14.901 16.282 -12.078 1.00 0.00 H new ATOM 59 N GLY A 7 12.671 13.965 -8.003 1.00 0.00 N ATOM 60 CA GLY A 7 11.697 13.021 -7.487 1.00 0.00 C ATOM 61 C GLY A 7 12.298 12.060 -6.480 1.00 0.00 C ATOM 62 O GLY A 7 13.493 11.763 -6.511 1.00 0.00 O ATOM 0 H GLY A 7 12.510 14.936 -7.736 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.878 13.568 -7.019 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.270 12.455 -8.315 1.00 0.00 H new ATOM 66 N PRO A 8 11.460 11.557 -5.562 1.00 0.00 N ATOM 67 CA PRO A 8 11.894 10.618 -4.524 1.00 0.00 C ATOM 68 C PRO A 8 12.247 9.248 -5.093 1.00 0.00 C ATOM 69 O PRO A 8 11.643 8.794 -6.065 1.00 0.00 O ATOM 70 CB PRO A 8 10.674 10.516 -3.605 1.00 0.00 C ATOM 71 CG PRO A 8 9.514 10.858 -4.476 1.00 0.00 C ATOM 72 CD PRO A 8 10.023 11.868 -5.467 1.00 0.00 C ATOM 0 HA PRO A 8 12.798 10.958 -4.019 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.575 9.514 -3.189 1.00 0.00 H new ATOM 0 HB3 PRO A 8 10.754 11.204 -2.763 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.132 9.972 -4.983 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.692 11.268 -3.888 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.526 11.770 -6.432 1.00 0.00 H new ATOM 0 HD3 PRO A 8 9.854 12.889 -5.124 1.00 0.00 H new ATOM 80 N VAL A 9 13.229 8.593 -4.481 1.00 0.00 N ATOM 81 CA VAL A 9 13.662 7.274 -4.926 1.00 0.00 C ATOM 82 C VAL A 9 13.633 6.270 -3.779 1.00 0.00 C ATOM 83 O VAL A 9 13.258 5.113 -3.963 1.00 0.00 O ATOM 84 CB VAL A 9 15.083 7.320 -5.519 1.00 0.00 C ATOM 85 CG1 VAL A 9 15.106 8.160 -6.786 1.00 0.00 C ATOM 86 CG2 VAL A 9 16.070 7.858 -4.494 1.00 0.00 C ATOM 0 H VAL A 9 13.740 8.955 -3.675 1.00 0.00 H new ATOM 0 HA VAL A 9 12.964 6.956 -5.700 1.00 0.00 H new ATOM 0 HB VAL A 9 15.382 6.305 -5.780 1.00 0.00 H new ATOM 0 HG11 VAL A 9 16.118 8.181 -7.190 1.00 0.00 H new ATOM 0 HG12 VAL A 9 14.430 7.726 -7.523 1.00 0.00 H new ATOM 0 HG13 VAL A 9 14.787 9.176 -6.555 1.00 0.00 H new ATOM 0 HG21 VAL A 9 17.069 7.884 -4.929 1.00 0.00 H new ATOM 0 HG22 VAL A 9 15.776 8.866 -4.200 1.00 0.00 H new ATOM 0 HG23 VAL A 9 16.073 7.211 -3.617 1.00 0.00 H new ATOM 96 N ALA A 10 14.032 6.722 -2.595 1.00 0.00 N ATOM 97 CA ALA A 10 14.050 5.865 -1.416 1.00 0.00 C ATOM 98 C ALA A 10 12.724 5.130 -1.251 1.00 0.00 C ATOM 99 O ALA A 10 12.687 3.992 -0.787 1.00 0.00 O ATOM 100 CB ALA A 10 14.360 6.684 -0.172 1.00 0.00 C ATOM 0 H ALA A 10 14.347 7.677 -2.427 1.00 0.00 H new ATOM 0 HA ALA A 10 14.834 5.120 -1.551 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.370 6.031 0.701 1.00 0.00 H new ATOM 0 HB2 ALA A 10 15.336 7.158 -0.282 1.00 0.00 H new ATOM 0 HB3 ALA A 10 13.597 7.451 -0.042 1.00 0.00 H new ATOM 106 N GLY A 11 11.635 5.791 -1.635 1.00 0.00 N ATOM 107 CA GLY A 11 10.322 5.185 -1.520 1.00 0.00 C ATOM 108 C GLY A 11 9.990 4.783 -0.097 1.00 0.00 C ATOM 109 O GLY A 11 10.873 4.477 0.705 1.00 0.00 O ATOM 0 H GLY A 11 11.640 6.734 -2.023 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.569 5.886 -1.881 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.274 4.306 -2.163 1.00 0.00 H new ATOM 113 N PRO A 12 8.691 4.781 0.235 1.00 0.00 N ATOM 114 CA PRO A 12 8.216 4.416 1.572 1.00 0.00 C ATOM 115 C PRO A 12 8.393 2.930 1.866 1.00 0.00 C ATOM 116 O PRO A 12 8.586 2.127 0.953 1.00 0.00 O ATOM 117 CB PRO A 12 6.729 4.780 1.532 1.00 0.00 C ATOM 118 CG PRO A 12 6.361 4.708 0.091 1.00 0.00 C ATOM 119 CD PRO A 12 7.585 5.135 -0.671 1.00 0.00 C ATOM 0 HA PRO A 12 8.774 4.928 2.356 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.135 4.086 2.127 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.554 5.777 1.936 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.062 3.697 -0.185 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.517 5.361 -0.129 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.666 4.615 -1.626 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.570 6.203 -0.889 1.00 0.00 H new ATOM 127 N TYR A 13 8.326 2.572 3.143 1.00 0.00 N ATOM 128 CA TYR A 13 8.481 1.183 3.556 1.00 0.00 C ATOM 129 C TYR A 13 7.393 0.784 4.548 1.00 0.00 C ATOM 130 O TYR A 13 7.298 1.344 5.640 1.00 0.00 O ATOM 131 CB TYR A 13 9.860 0.965 4.181 1.00 0.00 C ATOM 132 CG TYR A 13 9.926 -0.231 5.103 1.00 0.00 C ATOM 133 CD1 TYR A 13 9.633 -1.508 4.638 1.00 0.00 C ATOM 134 CD2 TYR A 13 10.279 -0.086 6.439 1.00 0.00 C ATOM 135 CE1 TYR A 13 9.690 -2.604 5.477 1.00 0.00 C ATOM 136 CE2 TYR A 13 10.341 -1.177 7.284 1.00 0.00 C ATOM 137 CZ TYR A 13 10.045 -2.433 6.799 1.00 0.00 C ATOM 138 OH TYR A 13 10.104 -3.522 7.638 1.00 0.00 O ATOM 0 H TYR A 13 8.165 3.225 3.910 1.00 0.00 H new ATOM 0 HA TYR A 13 8.387 0.556 2.670 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.594 0.840 3.385 1.00 0.00 H new ATOM 0 HB3 TYR A 13 10.142 1.858 4.738 1.00 0.00 H new ATOM 0 HD1 TYR A 13 9.356 -1.646 3.603 1.00 0.00 H new ATOM 0 HD2 TYR A 13 10.509 0.897 6.823 1.00 0.00 H new ATOM 0 HE1 TYR A 13 9.458 -3.589 5.100 1.00 0.00 H new ATOM 0 HE2 TYR A 13 10.620 -1.047 8.319 1.00 0.00 H new ATOM 0 HH TYR A 13 10.370 -3.230 8.535 1.00 0.00 H new ATOM 148 N ILE A 14 6.574 -0.187 4.159 1.00 0.00 N ATOM 149 CA ILE A 14 5.493 -0.663 5.014 1.00 0.00 C ATOM 150 C ILE A 14 6.039 -1.388 6.239 1.00 0.00 C ATOM 151 O ILE A 14 6.787 -2.359 6.118 1.00 0.00 O ATOM 152 CB ILE A 14 4.546 -1.608 4.251 1.00 0.00 C ATOM 153 CG1 ILE A 14 4.047 -0.940 2.968 1.00 0.00 C ATOM 154 CG2 ILE A 14 3.376 -2.012 5.134 1.00 0.00 C ATOM 155 CD1 ILE A 14 3.676 -1.922 1.880 1.00 0.00 C ATOM 0 H ILE A 14 6.638 -0.660 3.257 1.00 0.00 H new ATOM 0 HA ILE A 14 4.934 0.216 5.335 1.00 0.00 H new ATOM 0 HB ILE A 14 5.097 -2.508 3.978 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.178 -0.325 3.203 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.820 -0.270 2.593 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.716 -2.680 4.580 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.749 -2.524 6.021 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.823 -1.122 5.435 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.331 -1.378 1.001 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.548 -2.521 1.617 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.881 -2.577 2.236 1.00 0.00 H new ATOM 167 N THR A 15 5.659 -0.912 7.420 1.00 0.00 N ATOM 168 CA THR A 15 6.109 -1.514 8.668 1.00 0.00 C ATOM 169 C THR A 15 4.929 -1.996 9.504 1.00 0.00 C ATOM 170 O THR A 15 5.091 -2.379 10.663 1.00 0.00 O ATOM 171 CB THR A 15 6.944 -0.524 9.502 1.00 0.00 C ATOM 172 OG1 THR A 15 6.083 0.424 10.142 1.00 0.00 O ATOM 173 CG2 THR A 15 7.949 0.208 8.625 1.00 0.00 C ATOM 0 H THR A 15 5.040 -0.110 7.538 1.00 0.00 H new ATOM 0 HA THR A 15 6.733 -2.367 8.399 1.00 0.00 H new ATOM 0 HB THR A 15 7.489 -1.089 10.259 1.00 0.00 H new ATOM 0 HG1 THR A 15 6.621 1.049 10.672 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.527 0.902 9.235 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.621 -0.514 8.161 1.00 0.00 H new ATOM 0 HG23 THR A 15 7.420 0.762 7.849 1.00 0.00 H new ATOM 181 N PHE A 16 3.740 -1.973 8.910 1.00 0.00 N ATOM 182 CA PHE A 16 2.532 -2.407 9.600 1.00 0.00 C ATOM 183 C PHE A 16 1.519 -2.982 8.614 1.00 0.00 C ATOM 184 O PHE A 16 1.123 -2.319 7.655 1.00 0.00 O ATOM 185 CB PHE A 16 1.908 -1.238 10.366 1.00 0.00 C ATOM 186 CG PHE A 16 0.993 -1.668 11.476 1.00 0.00 C ATOM 187 CD1 PHE A 16 -0.345 -1.931 11.226 1.00 0.00 C ATOM 188 CD2 PHE A 16 1.470 -1.811 12.769 1.00 0.00 C ATOM 189 CE1 PHE A 16 -1.189 -2.326 12.246 1.00 0.00 C ATOM 190 CE2 PHE A 16 0.630 -2.206 13.793 1.00 0.00 C ATOM 191 CZ PHE A 16 -0.701 -2.465 13.531 1.00 0.00 C ATOM 0 H PHE A 16 3.588 -1.658 7.952 1.00 0.00 H new ATOM 0 HA PHE A 16 2.809 -3.189 10.307 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.704 -0.620 10.781 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.351 -0.613 9.668 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.732 -1.826 10.223 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.510 -1.611 12.979 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.230 -2.526 12.039 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.014 -2.312 14.797 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.359 -2.776 14.329 1.00 0.00 H new ATOM 201 N THR A 17 1.103 -4.221 8.857 1.00 0.00 N ATOM 202 CA THR A 17 0.138 -4.887 7.992 1.00 0.00 C ATOM 203 C THR A 17 -0.805 -5.773 8.798 1.00 0.00 C ATOM 204 O THR A 17 -0.398 -6.805 9.331 1.00 0.00 O ATOM 205 CB THR A 17 0.841 -5.745 6.922 1.00 0.00 C ATOM 206 OG1 THR A 17 2.062 -6.277 7.447 1.00 0.00 O ATOM 207 CG2 THR A 17 1.134 -4.923 5.676 1.00 0.00 C ATOM 0 H THR A 17 1.420 -4.784 9.647 1.00 0.00 H new ATOM 0 HA THR A 17 -0.437 -4.103 7.499 1.00 0.00 H new ATOM 0 HB THR A 17 0.176 -6.564 6.649 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.253 -7.138 7.021 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.630 -5.550 4.935 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.200 -4.543 5.263 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.782 -4.086 5.936 1.00 0.00 H new ATOM 215 N ASP A 18 -2.066 -5.363 8.883 1.00 0.00 N ATOM 216 CA ASP A 18 -3.068 -6.121 9.624 1.00 0.00 C ATOM 217 C ASP A 18 -4.439 -5.995 8.967 1.00 0.00 C ATOM 218 O ASP A 18 -4.854 -4.904 8.578 1.00 0.00 O ATOM 219 CB ASP A 18 -3.136 -5.637 11.073 1.00 0.00 C ATOM 220 CG ASP A 18 -1.974 -6.139 11.907 1.00 0.00 C ATOM 221 OD1 ASP A 18 -2.016 -7.310 12.339 1.00 0.00 O ATOM 222 OD2 ASP A 18 -1.022 -5.362 12.127 1.00 0.00 O ATOM 0 H ASP A 18 -2.419 -4.510 8.448 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.775 -7.171 9.614 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.146 -4.547 11.089 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -4.072 -5.971 11.521 1.00 0.00 H new ATOM 227 N ALA A 19 -5.137 -7.120 8.847 1.00 0.00 N ATOM 228 CA ALA A 19 -6.461 -7.135 8.239 1.00 0.00 C ATOM 229 C ALA A 19 -7.516 -6.611 9.207 1.00 0.00 C ATOM 230 O ALA A 19 -7.776 -7.217 10.246 1.00 0.00 O ATOM 231 CB ALA A 19 -6.815 -8.543 7.781 1.00 0.00 C ATOM 0 H ALA A 19 -4.807 -8.032 9.163 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.443 -6.476 7.371 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.807 -8.540 7.329 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.083 -8.882 7.048 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.809 -9.217 8.638 1.00 0.00 H new ATOM 237 N VAL A 20 -8.122 -5.480 8.859 1.00 0.00 N ATOM 238 CA VAL A 20 -9.150 -4.874 9.697 1.00 0.00 C ATOM 239 C VAL A 20 -10.449 -5.669 9.636 1.00 0.00 C ATOM 240 O VAL A 20 -11.270 -5.607 10.549 1.00 0.00 O ATOM 241 CB VAL A 20 -9.431 -3.419 9.276 1.00 0.00 C ATOM 242 CG1 VAL A 20 -10.346 -2.739 10.284 1.00 0.00 C ATOM 243 CG2 VAL A 20 -8.129 -2.648 9.122 1.00 0.00 C ATOM 0 H VAL A 20 -7.919 -4.965 8.002 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.771 -4.882 10.719 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.937 -3.430 8.311 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.534 -1.712 9.970 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.291 -3.280 10.340 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.870 -2.738 11.265 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.347 -1.622 8.824 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.594 -2.644 10.072 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.512 -3.124 8.360 1.00 0.00 H new ATOM 253 N ASN A 21 -10.628 -6.417 8.552 1.00 0.00 N ATOM 254 CA ASN A 21 -11.828 -7.226 8.370 1.00 0.00 C ATOM 255 C ASN A 21 -11.644 -8.224 7.231 1.00 0.00 C ATOM 256 O ASN A 21 -10.601 -8.251 6.579 1.00 0.00 O ATOM 257 CB ASN A 21 -13.035 -6.329 8.089 1.00 0.00 C ATOM 258 CG ASN A 21 -13.744 -5.899 9.359 1.00 0.00 C ATOM 259 OD1 ASN A 21 -13.523 -6.466 10.429 1.00 0.00 O ATOM 260 ND2 ASN A 21 -14.601 -4.891 9.245 1.00 0.00 N ATOM 0 H ASN A 21 -9.957 -6.480 7.786 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.004 -7.782 9.291 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -12.708 -5.445 7.542 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.737 -6.860 7.446 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -15.108 -4.557 10.065 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -14.753 -4.451 8.338 1.00 0.00 H new ATOM 267 N GLU A 22 -12.667 -9.040 6.996 1.00 0.00 N ATOM 268 CA GLU A 22 -12.618 -10.039 5.935 1.00 0.00 C ATOM 269 C GLU A 22 -12.536 -9.373 4.564 1.00 0.00 C ATOM 270 O GLU A 22 -12.190 -10.012 3.570 1.00 0.00 O ATOM 271 CB GLU A 22 -13.848 -10.946 6.001 1.00 0.00 C ATOM 272 CG GLU A 22 -15.146 -10.237 5.654 1.00 0.00 C ATOM 273 CD GLU A 22 -15.805 -9.602 6.864 1.00 0.00 C ATOM 274 OE1 GLU A 22 -16.037 -10.319 7.859 1.00 0.00 O ATOM 275 OE2 GLU A 22 -16.088 -8.386 6.814 1.00 0.00 O ATOM 0 H GLU A 22 -13.539 -9.029 7.526 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.722 -10.643 6.081 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.708 -11.784 5.318 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.928 -11.363 7.005 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.947 -9.468 4.908 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -15.835 -10.950 5.202 1.00 0.00 H new ATOM 282 N THR A 23 -12.857 -8.084 4.519 1.00 0.00 N ATOM 283 CA THR A 23 -12.822 -7.331 3.272 1.00 0.00 C ATOM 284 C THR A 23 -12.126 -5.988 3.460 1.00 0.00 C ATOM 285 O THR A 23 -12.263 -5.084 2.634 1.00 0.00 O ATOM 286 CB THR A 23 -14.240 -7.089 2.722 1.00 0.00 C ATOM 287 OG1 THR A 23 -15.102 -6.634 3.772 1.00 0.00 O ATOM 288 CG2 THR A 23 -14.807 -8.360 2.109 1.00 0.00 C ATOM 0 H THR A 23 -13.144 -7.540 5.332 1.00 0.00 H new ATOM 0 HA THR A 23 -12.260 -7.931 2.556 1.00 0.00 H new ATOM 0 HB THR A 23 -14.179 -6.326 1.946 1.00 0.00 H new ATOM 0 HG1 THR A 23 -16.001 -6.481 3.414 1.00 0.00 H new ATOM 0 HG21 THR A 23 -15.809 -8.164 1.727 1.00 0.00 H new ATOM 0 HG22 THR A 23 -14.165 -8.687 1.291 1.00 0.00 H new ATOM 0 HG23 THR A 23 -14.854 -9.141 2.868 1.00 0.00 H new ATOM 296 N THR A 24 -11.377 -5.862 4.551 1.00 0.00 N ATOM 297 CA THR A 24 -10.660 -4.629 4.848 1.00 0.00 C ATOM 298 C THR A 24 -9.261 -4.921 5.379 1.00 0.00 C ATOM 299 O THR A 24 -9.050 -5.901 6.093 1.00 0.00 O ATOM 300 CB THR A 24 -11.419 -3.771 5.877 1.00 0.00 C ATOM 301 OG1 THR A 24 -12.824 -3.805 5.603 1.00 0.00 O ATOM 302 CG2 THR A 24 -10.926 -2.332 5.851 1.00 0.00 C ATOM 0 H THR A 24 -11.251 -6.600 5.244 1.00 0.00 H new ATOM 0 HA THR A 24 -10.582 -4.076 3.912 1.00 0.00 H new ATOM 0 HB THR A 24 -11.233 -4.184 6.869 1.00 0.00 H new ATOM 0 HG1 THR A 24 -13.299 -3.258 6.263 1.00 0.00 H new ATOM 0 HG21 THR A 24 -11.477 -1.745 6.586 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.863 -2.307 6.090 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.085 -1.911 4.858 1.00 0.00 H new ATOM 310 N ILE A 25 -8.308 -4.064 5.026 1.00 0.00 N ATOM 311 CA ILE A 25 -6.930 -4.230 5.469 1.00 0.00 C ATOM 312 C ILE A 25 -6.296 -2.886 5.810 1.00 0.00 C ATOM 313 O ILE A 25 -6.404 -1.926 5.047 1.00 0.00 O ATOM 314 CB ILE A 25 -6.074 -4.931 4.397 1.00 0.00 C ATOM 315 CG1 ILE A 25 -6.421 -6.419 4.329 1.00 0.00 C ATOM 316 CG2 ILE A 25 -4.594 -4.740 4.692 1.00 0.00 C ATOM 317 CD1 ILE A 25 -5.681 -7.164 3.240 1.00 0.00 C ATOM 0 H ILE A 25 -8.466 -3.248 4.435 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.960 -4.853 6.363 1.00 0.00 H new ATOM 0 HB ILE A 25 -6.292 -4.481 3.428 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.196 -6.880 5.291 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.494 -6.526 4.167 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -4.003 -5.241 3.926 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -4.358 -3.676 4.695 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.360 -5.166 5.668 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.977 -8.213 3.251 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -5.925 -6.729 2.271 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.607 -7.088 3.412 1.00 0.00 H new ATOM 329 N MET A 26 -5.634 -2.825 6.960 1.00 0.00 N ATOM 330 CA MET A 26 -4.979 -1.598 7.401 1.00 0.00 C ATOM 331 C MET A 26 -3.463 -1.717 7.282 1.00 0.00 C ATOM 332 O MET A 26 -2.851 -2.601 7.883 1.00 0.00 O ATOM 333 CB MET A 26 -5.366 -1.280 8.847 1.00 0.00 C ATOM 334 CG MET A 26 -4.548 -0.155 9.461 1.00 0.00 C ATOM 335 SD MET A 26 -5.311 1.463 9.232 1.00 0.00 S ATOM 336 CE MET A 26 -4.468 2.029 7.756 1.00 0.00 C ATOM 0 H MET A 26 -5.536 -3.610 7.604 1.00 0.00 H new ATOM 0 HA MET A 26 -5.313 -0.785 6.756 1.00 0.00 H new ATOM 0 HB2 MET A 26 -6.422 -1.011 8.881 1.00 0.00 H new ATOM 0 HB3 MET A 26 -5.246 -2.178 9.453 1.00 0.00 H new ATOM 0 HG2 MET A 26 -4.419 -0.344 10.527 1.00 0.00 H new ATOM 0 HG3 MET A 26 -3.553 -0.150 9.016 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.983 2.902 7.355 1.00 0.00 H new ATOM 0 HE2 MET A 26 -3.441 2.296 8.004 1.00 0.00 H new ATOM 0 HE3 MET A 26 -4.466 1.234 7.010 1.00 0.00 H new ATOM 346 N LEU A 27 -2.863 -0.824 6.504 1.00 0.00 N ATOM 347 CA LEU A 27 -1.418 -0.829 6.306 1.00 0.00 C ATOM 348 C LEU A 27 -0.838 0.570 6.488 1.00 0.00 C ATOM 349 O LEU A 27 -1.379 1.550 5.975 1.00 0.00 O ATOM 350 CB LEU A 27 -1.076 -1.358 4.912 1.00 0.00 C ATOM 351 CG LEU A 27 -1.058 -0.322 3.787 1.00 0.00 C ATOM 352 CD1 LEU A 27 -0.222 -0.819 2.617 1.00 0.00 C ATOM 353 CD2 LEU A 27 -2.475 -0.001 3.334 1.00 0.00 C ATOM 0 H LEU A 27 -3.355 -0.087 5.999 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.976 -1.486 7.056 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.096 -1.834 4.956 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.796 -2.134 4.653 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.604 0.593 4.169 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.221 -0.069 1.826 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.801 -0.997 2.950 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.646 -1.748 2.235 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.442 0.738 2.533 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.955 -0.909 2.970 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.044 0.399 4.174 1.00 0.00 H new ATOM 365 N LYS A 28 0.268 0.656 7.219 1.00 0.00 N ATOM 366 CA LYS A 28 0.924 1.934 7.467 1.00 0.00 C ATOM 367 C LYS A 28 2.364 1.912 6.963 1.00 0.00 C ATOM 368 O LYS A 28 3.074 0.921 7.129 1.00 0.00 O ATOM 369 CB LYS A 28 0.901 2.262 8.962 1.00 0.00 C ATOM 370 CG LYS A 28 -0.494 2.511 9.508 1.00 0.00 C ATOM 371 CD LYS A 28 -0.602 2.104 10.968 1.00 0.00 C ATOM 372 CE LYS A 28 -2.026 1.711 11.333 1.00 0.00 C ATOM 373 NZ LYS A 28 -2.817 2.878 11.814 1.00 0.00 N ATOM 0 H LYS A 28 0.729 -0.145 7.650 1.00 0.00 H new ATOM 0 HA LYS A 28 0.378 2.706 6.924 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.356 1.439 9.513 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.515 3.144 9.141 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.743 3.567 9.404 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.221 1.953 8.919 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.069 1.268 11.164 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.277 2.929 11.602 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.516 1.273 10.463 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.004 0.943 12.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.781 2.569 12.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.363 3.280 12.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.860 3.600 11.067 1.00 0.00 H new ATOM 387 N TRP A 29 2.787 3.011 6.349 1.00 0.00 N ATOM 388 CA TRP A 29 4.143 3.118 5.823 1.00 0.00 C ATOM 389 C TRP A 29 4.947 4.158 6.596 1.00 0.00 C ATOM 390 O TRP A 29 4.385 4.972 7.328 1.00 0.00 O ATOM 391 CB TRP A 29 4.108 3.484 4.338 1.00 0.00 C ATOM 392 CG TRP A 29 3.232 4.662 4.037 1.00 0.00 C ATOM 393 CD1 TRP A 29 3.604 5.976 4.014 1.00 0.00 C ATOM 394 CD2 TRP A 29 1.837 4.633 3.717 1.00 0.00 C ATOM 395 NE1 TRP A 29 2.524 6.765 3.700 1.00 0.00 N ATOM 396 CE2 TRP A 29 1.428 5.965 3.512 1.00 0.00 C ATOM 397 CE3 TRP A 29 0.894 3.611 3.581 1.00 0.00 C ATOM 398 CZ2 TRP A 29 0.118 6.299 3.180 1.00 0.00 C ATOM 399 CZ3 TRP A 29 -0.407 3.944 3.253 1.00 0.00 C ATOM 400 CH2 TRP A 29 -0.785 5.278 3.055 1.00 0.00 C ATOM 0 H TRP A 29 2.211 3.840 6.203 1.00 0.00 H new ATOM 0 HA TRP A 29 4.629 2.149 5.941 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.122 3.699 4.000 1.00 0.00 H new ATOM 0 HB3 TRP A 29 3.757 2.624 3.767 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.601 6.341 4.213 1.00 0.00 H new ATOM 0 HE1 TRP A 29 2.536 7.782 3.620 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.176 2.579 3.729 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -0.175 7.327 3.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.145 3.162 3.148 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.809 5.506 2.799 1.00 0.00 H new ATOM 411 N MET A 30 6.265 4.124 6.429 1.00 0.00 N ATOM 412 CA MET A 30 7.146 5.066 7.112 1.00 0.00 C ATOM 413 C MET A 30 7.987 5.849 6.108 1.00 0.00 C ATOM 414 O MET A 30 8.079 5.477 4.938 1.00 0.00 O ATOM 415 CB MET A 30 8.058 4.325 8.092 1.00 0.00 C ATOM 416 CG MET A 30 9.253 3.662 7.427 1.00 0.00 C ATOM 417 SD MET A 30 10.427 2.991 8.619 1.00 0.00 S ATOM 418 CE MET A 30 11.318 4.473 9.088 1.00 0.00 C ATOM 0 H MET A 30 6.747 3.456 5.828 1.00 0.00 H new ATOM 0 HA MET A 30 6.525 5.770 7.666 1.00 0.00 H new ATOM 0 HB2 MET A 30 8.415 5.027 8.845 1.00 0.00 H new ATOM 0 HB3 MET A 30 7.476 3.566 8.614 1.00 0.00 H new ATOM 0 HG2 MET A 30 8.903 2.860 6.776 1.00 0.00 H new ATOM 0 HG3 MET A 30 9.760 4.389 6.793 1.00 0.00 H new ATOM 0 HE1 MET A 30 12.384 4.327 8.913 1.00 0.00 H new ATOM 0 HE2 MET A 30 10.964 5.314 8.492 1.00 0.00 H new ATOM 0 HE3 MET A 30 11.149 4.680 10.145 1.00 0.00 H new ATOM 428 N TYR A 31 8.597 6.933 6.574 1.00 0.00 N ATOM 429 CA TYR A 31 9.428 7.769 5.716 1.00 0.00 C ATOM 430 C TYR A 31 10.756 8.093 6.393 1.00 0.00 C ATOM 431 O TYR A 31 10.791 8.488 7.559 1.00 0.00 O ATOM 432 CB TYR A 31 8.693 9.064 5.364 1.00 0.00 C ATOM 433 CG TYR A 31 9.329 9.830 4.226 1.00 0.00 C ATOM 434 CD1 TYR A 31 9.017 9.536 2.904 1.00 0.00 C ATOM 435 CD2 TYR A 31 10.242 10.848 4.473 1.00 0.00 C ATOM 436 CE1 TYR A 31 9.595 10.234 1.862 1.00 0.00 C ATOM 437 CE2 TYR A 31 10.824 11.552 3.436 1.00 0.00 C ATOM 438 CZ TYR A 31 10.498 11.241 2.133 1.00 0.00 C ATOM 439 OH TYR A 31 11.077 11.938 1.098 1.00 0.00 O ATOM 0 H TYR A 31 8.532 7.253 7.540 1.00 0.00 H new ATOM 0 HA TYR A 31 9.633 7.215 4.800 1.00 0.00 H new ATOM 0 HB2 TYR A 31 7.662 8.827 5.100 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.657 9.703 6.246 1.00 0.00 H new ATOM 0 HD1 TYR A 31 8.310 8.748 2.688 1.00 0.00 H new ATOM 0 HD2 TYR A 31 10.501 11.093 5.492 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.341 9.993 0.840 1.00 0.00 H new ATOM 0 HE2 TYR A 31 11.530 12.342 3.645 1.00 0.00 H new ATOM 0 HH TYR A 31 11.410 12.798 1.429 1.00 0.00 H new ATOM 449 N ILE A 32 11.847 7.925 5.653 1.00 0.00 N ATOM 450 CA ILE A 32 13.177 8.201 6.180 1.00 0.00 C ATOM 451 C ILE A 32 13.806 9.403 5.484 1.00 0.00 C ATOM 452 O ILE A 32 14.354 9.301 4.387 1.00 0.00 O ATOM 453 CB ILE A 32 14.109 6.985 6.020 1.00 0.00 C ATOM 454 CG1 ILE A 32 13.485 5.748 6.668 1.00 0.00 C ATOM 455 CG2 ILE A 32 15.472 7.279 6.630 1.00 0.00 C ATOM 456 CD1 ILE A 32 12.542 4.997 5.754 1.00 0.00 C ATOM 0 H ILE A 32 11.835 7.599 4.687 1.00 0.00 H new ATOM 0 HA ILE A 32 13.057 8.420 7.241 1.00 0.00 H new ATOM 0 HB ILE A 32 14.243 6.786 4.957 1.00 0.00 H new ATOM 0 HG12 ILE A 32 14.281 5.075 6.988 1.00 0.00 H new ATOM 0 HG13 ILE A 32 12.944 6.051 7.565 1.00 0.00 H new ATOM 0 HG21 ILE A 32 16.120 6.411 6.509 1.00 0.00 H new ATOM 0 HG22 ILE A 32 15.918 8.137 6.127 1.00 0.00 H new ATOM 0 HG23 ILE A 32 15.356 7.500 7.691 1.00 0.00 H new ATOM 0 HD11 ILE A 32 12.137 4.132 6.280 1.00 0.00 H new ATOM 0 HD12 ILE A 32 11.726 5.654 5.454 1.00 0.00 H new ATOM 0 HD13 ILE A 32 13.083 4.663 4.869 1.00 0.00 H new ATOM 468 N PRO A 33 13.727 10.572 6.137 1.00 0.00 N ATOM 469 CA PRO A 33 14.284 11.818 5.601 1.00 0.00 C ATOM 470 C PRO A 33 15.809 11.814 5.593 1.00 0.00 C ATOM 471 O PRO A 33 16.438 12.656 4.953 1.00 0.00 O ATOM 472 CB PRO A 33 13.758 12.885 6.564 1.00 0.00 C ATOM 473 CG PRO A 33 13.513 12.157 7.840 1.00 0.00 C ATOM 474 CD PRO A 33 13.088 10.768 7.449 1.00 0.00 C ATOM 0 HA PRO A 33 13.994 11.981 4.563 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.483 13.688 6.699 1.00 0.00 H new ATOM 0 HB3 PRO A 33 12.843 13.342 6.187 1.00 0.00 H new ATOM 0 HG2 PRO A 33 14.413 12.131 8.454 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.740 12.651 8.429 1.00 0.00 H new ATOM 0 HD2 PRO A 33 13.423 10.026 8.174 1.00 0.00 H new ATOM 0 HD3 PRO A 33 12.003 10.683 7.384 1.00 0.00 H new ATOM 482 N ALA A 34 16.398 10.860 6.307 1.00 0.00 N ATOM 483 CA ALA A 34 17.849 10.745 6.379 1.00 0.00 C ATOM 484 C ALA A 34 18.463 10.658 4.985 1.00 0.00 C ATOM 485 O ALA A 34 19.213 11.542 4.571 1.00 0.00 O ATOM 486 CB ALA A 34 18.242 9.531 7.207 1.00 0.00 C ATOM 0 H ALA A 34 15.892 10.156 6.844 1.00 0.00 H new ATOM 0 HA ALA A 34 18.236 11.642 6.863 1.00 0.00 H new ATOM 0 HB1 ALA A 34 19.329 9.458 7.252 1.00 0.00 H new ATOM 0 HB2 ALA A 34 17.843 9.634 8.216 1.00 0.00 H new ATOM 0 HB3 ALA A 34 17.836 8.630 6.747 1.00 0.00 H new ATOM 492 N SER A 35 18.140 9.587 4.267 1.00 0.00 N ATOM 493 CA SER A 35 18.663 9.383 2.922 1.00 0.00 C ATOM 494 C SER A 35 17.688 9.910 1.873 1.00 0.00 C ATOM 495 O SER A 35 17.523 9.316 0.809 1.00 0.00 O ATOM 496 CB SER A 35 18.937 7.897 2.678 1.00 0.00 C ATOM 497 OG SER A 35 20.198 7.518 3.201 1.00 0.00 O ATOM 0 H SER A 35 17.519 8.847 4.595 1.00 0.00 H new ATOM 0 HA SER A 35 19.598 9.937 2.835 1.00 0.00 H new ATOM 0 HB2 SER A 35 18.153 7.299 3.142 1.00 0.00 H new ATOM 0 HB3 SER A 35 18.906 7.689 1.608 1.00 0.00 H new ATOM 0 HG SER A 35 20.348 6.564 3.034 1.00 0.00 H new ATOM 503 N ASN A 36 17.045 11.031 2.184 1.00 0.00 N ATOM 504 CA ASN A 36 16.085 11.640 1.270 1.00 0.00 C ATOM 505 C ASN A 36 16.602 12.978 0.750 1.00 0.00 C ATOM 506 O ASN A 36 17.467 13.601 1.364 1.00 0.00 O ATOM 507 CB ASN A 36 14.738 11.837 1.969 1.00 0.00 C ATOM 508 CG ASN A 36 13.701 12.464 1.057 1.00 0.00 C ATOM 509 OD1 ASN A 36 13.078 13.467 1.405 1.00 0.00 O ATOM 510 ND2 ASN A 36 13.509 11.872 -0.116 1.00 0.00 N ATOM 0 H ASN A 36 17.171 11.536 3.061 1.00 0.00 H new ATOM 0 HA ASN A 36 15.952 10.968 0.422 1.00 0.00 H new ATOM 0 HB2 ASN A 36 14.371 10.874 2.324 1.00 0.00 H new ATOM 0 HB3 ASN A 36 14.876 12.469 2.847 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.822 12.247 -0.770 1.00 0.00 H new ATOM 0 HD22 ASN A 36 14.048 11.042 -0.363 1.00 0.00 H new ATOM 517 N ASN A 37 16.065 13.413 -0.385 1.00 0.00 N ATOM 518 CA ASN A 37 16.471 14.677 -0.987 1.00 0.00 C ATOM 519 C ASN A 37 15.548 15.810 -0.550 1.00 0.00 C ATOM 520 O ASN A 37 15.299 16.749 -1.306 1.00 0.00 O ATOM 521 CB ASN A 37 16.470 14.563 -2.513 1.00 0.00 C ATOM 522 CG ASN A 37 17.499 15.468 -3.162 1.00 0.00 C ATOM 523 OD1 ASN A 37 17.516 16.676 -2.926 1.00 0.00 O ATOM 524 ND2 ASN A 37 18.364 14.886 -3.984 1.00 0.00 N ATOM 0 H ASN A 37 15.348 12.909 -0.906 1.00 0.00 H new ATOM 0 HA ASN A 37 17.481 14.904 -0.647 1.00 0.00 H new ATOM 0 HB2 ASN A 37 16.668 13.530 -2.797 1.00 0.00 H new ATOM 0 HB3 ASN A 37 15.479 14.813 -2.892 1.00 0.00 H new ATOM 0 HD21 ASN A 37 19.080 15.444 -4.449 1.00 0.00 H new ATOM 0 HD22 ASN A 37 18.313 13.881 -4.150 1.00 0.00 H new ATOM 531 N ASN A 38 15.043 15.716 0.676 1.00 0.00 N ATOM 532 CA ASN A 38 14.147 16.732 1.214 1.00 0.00 C ATOM 533 C ASN A 38 13.227 17.278 0.126 1.00 0.00 C ATOM 534 O ASN A 38 13.018 18.487 0.022 1.00 0.00 O ATOM 535 CB ASN A 38 14.953 17.874 1.836 1.00 0.00 C ATOM 536 CG ASN A 38 15.902 17.391 2.915 1.00 0.00 C ATOM 537 OD1 ASN A 38 16.496 16.319 2.800 1.00 0.00 O ATOM 538 ND2 ASN A 38 16.049 18.182 3.971 1.00 0.00 N ATOM 0 H ASN A 38 15.239 14.946 1.315 1.00 0.00 H new ATOM 0 HA ASN A 38 13.532 16.267 1.985 1.00 0.00 H new ATOM 0 HB2 ASN A 38 15.522 18.381 1.056 1.00 0.00 H new ATOM 0 HB3 ASN A 38 14.269 18.609 2.260 1.00 0.00 H new ATOM 0 HD21 ASN A 38 16.675 17.910 4.729 1.00 0.00 H new ATOM 0 HD22 ASN A 38 15.536 19.062 4.024 1.00 0.00 H new ATOM 545 N THR A 39 12.678 16.378 -0.684 1.00 0.00 N ATOM 546 CA THR A 39 11.781 16.768 -1.765 1.00 0.00 C ATOM 547 C THR A 39 10.325 16.532 -1.382 1.00 0.00 C ATOM 548 O THR A 39 9.978 15.535 -0.748 1.00 0.00 O ATOM 549 CB THR A 39 12.092 15.994 -3.060 1.00 0.00 C ATOM 550 OG1 THR A 39 11.385 16.577 -4.160 1.00 0.00 O ATOM 551 CG2 THR A 39 11.706 14.529 -2.921 1.00 0.00 C ATOM 0 H THR A 39 12.839 15.373 -0.612 1.00 0.00 H new ATOM 0 HA THR A 39 11.940 17.832 -1.940 1.00 0.00 H new ATOM 0 HB THR A 39 13.165 16.054 -3.245 1.00 0.00 H new ATOM 0 HG1 THR A 39 11.864 17.373 -4.472 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.935 14.003 -3.848 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.268 14.081 -2.101 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.639 14.452 -2.714 1.00 0.00 H new ATOM 559 N PRO A 40 9.449 17.469 -1.777 1.00 0.00 N ATOM 560 CA PRO A 40 8.015 17.384 -1.487 1.00 0.00 C ATOM 561 C PRO A 40 7.329 16.272 -2.274 1.00 0.00 C ATOM 562 O PRO A 40 7.559 16.116 -3.474 1.00 0.00 O ATOM 563 CB PRO A 40 7.484 18.752 -1.921 1.00 0.00 C ATOM 564 CG PRO A 40 8.453 19.226 -2.949 1.00 0.00 C ATOM 565 CD PRO A 40 9.793 18.683 -2.536 1.00 0.00 C ATOM 0 HA PRO A 40 7.824 17.150 -0.440 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.478 18.674 -2.332 1.00 0.00 H new ATOM 0 HB3 PRO A 40 7.432 19.442 -1.079 1.00 0.00 H new ATOM 0 HG2 PRO A 40 8.176 18.869 -3.941 1.00 0.00 H new ATOM 0 HG3 PRO A 40 8.471 20.315 -2.996 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.417 18.454 -3.400 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.345 19.397 -1.924 1.00 0.00 H new ATOM 573 N ILE A 41 6.488 15.503 -1.592 1.00 0.00 N ATOM 574 CA ILE A 41 5.768 14.407 -2.229 1.00 0.00 C ATOM 575 C ILE A 41 4.322 14.794 -2.520 1.00 0.00 C ATOM 576 O ILE A 41 3.659 15.423 -1.695 1.00 0.00 O ATOM 577 CB ILE A 41 5.782 13.140 -1.354 1.00 0.00 C ATOM 578 CG1 ILE A 41 7.191 12.881 -0.816 1.00 0.00 C ATOM 579 CG2 ILE A 41 5.284 11.942 -2.148 1.00 0.00 C ATOM 580 CD1 ILE A 41 7.283 11.660 0.073 1.00 0.00 C ATOM 0 H ILE A 41 6.288 15.618 -0.598 1.00 0.00 H new ATOM 0 HA ILE A 41 6.281 14.196 -3.167 1.00 0.00 H new ATOM 0 HB ILE A 41 5.113 13.294 -0.508 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.876 12.762 -1.656 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.524 13.755 -0.255 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.300 11.054 -1.516 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.265 12.128 -2.487 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.930 11.784 -3.012 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.310 11.538 0.418 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.624 11.785 0.932 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.982 10.777 -0.490 1.00 0.00 H new ATOM 592 N HIS A 42 3.839 14.413 -3.698 1.00 0.00 N ATOM 593 CA HIS A 42 2.469 14.718 -4.098 1.00 0.00 C ATOM 594 C HIS A 42 1.469 13.950 -3.239 1.00 0.00 C ATOM 595 O HIS A 42 0.472 14.507 -2.782 1.00 0.00 O ATOM 596 CB HIS A 42 2.259 14.378 -5.573 1.00 0.00 C ATOM 597 CG HIS A 42 2.616 15.497 -6.503 1.00 0.00 C ATOM 598 ND1 HIS A 42 2.151 15.578 -7.798 1.00 0.00 N ATOM 599 CD2 HIS A 42 3.398 16.587 -6.317 1.00 0.00 C ATOM 600 CE1 HIS A 42 2.632 16.667 -8.370 1.00 0.00 C ATOM 601 NE2 HIS A 42 3.392 17.297 -7.492 1.00 0.00 N ATOM 0 H HIS A 42 4.375 13.893 -4.392 1.00 0.00 H new ATOM 0 HA HIS A 42 2.302 15.785 -3.952 1.00 0.00 H new ATOM 0 HB2 HIS A 42 2.858 13.503 -5.824 1.00 0.00 H new ATOM 0 HB3 HIS A 42 1.215 14.106 -5.729 1.00 0.00 H new ATOM 0 HD1 HIS A 42 1.532 14.902 -8.245 1.00 0.00 H new ATOM 0 HD2 HIS A 42 3.928 16.849 -5.413 1.00 0.00 H new ATOM 0 HE1 HIS A 42 2.437 16.988 -9.383 1.00 0.00 H new ATOM 610 N GLY A 43 1.743 12.667 -3.024 1.00 0.00 N ATOM 611 CA GLY A 43 0.857 11.844 -2.221 1.00 0.00 C ATOM 612 C GLY A 43 1.431 10.467 -1.951 1.00 0.00 C ATOM 613 O GLY A 43 2.642 10.313 -1.787 1.00 0.00 O ATOM 0 H GLY A 43 2.562 12.183 -3.391 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.661 12.345 -1.273 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.101 11.741 -2.731 1.00 0.00 H new ATOM 617 N PHE A 44 0.561 9.464 -1.902 1.00 0.00 N ATOM 618 CA PHE A 44 0.988 8.093 -1.646 1.00 0.00 C ATOM 619 C PHE A 44 0.114 7.101 -2.407 1.00 0.00 C ATOM 620 O PHE A 44 -1.098 7.036 -2.196 1.00 0.00 O ATOM 621 CB PHE A 44 0.937 7.792 -0.147 1.00 0.00 C ATOM 622 CG PHE A 44 2.091 8.370 0.620 1.00 0.00 C ATOM 623 CD1 PHE A 44 3.396 8.080 0.257 1.00 0.00 C ATOM 624 CD2 PHE A 44 1.871 9.204 1.705 1.00 0.00 C ATOM 625 CE1 PHE A 44 4.460 8.610 0.963 1.00 0.00 C ATOM 626 CE2 PHE A 44 2.931 9.738 2.414 1.00 0.00 C ATOM 627 CZ PHE A 44 4.227 9.441 2.041 1.00 0.00 C ATOM 0 H PHE A 44 -0.444 9.575 -2.036 1.00 0.00 H new ATOM 0 HA PHE A 44 2.015 7.987 -1.995 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.006 8.184 0.263 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.919 6.712 -0.002 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.584 7.433 -0.587 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.859 9.440 2.000 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.473 8.374 0.672 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.746 10.386 3.258 1.00 0.00 H new ATOM 0 HZ PHE A 44 5.057 9.858 2.592 1.00 0.00 H new ATOM 637 N TYR A 45 0.736 6.330 -3.292 1.00 0.00 N ATOM 638 CA TYR A 45 0.015 5.343 -4.086 1.00 0.00 C ATOM 639 C TYR A 45 0.092 3.963 -3.440 1.00 0.00 C ATOM 640 O TYR A 45 1.147 3.548 -2.960 1.00 0.00 O ATOM 641 CB TYR A 45 0.584 5.286 -5.505 1.00 0.00 C ATOM 642 CG TYR A 45 -0.014 6.314 -6.439 1.00 0.00 C ATOM 643 CD1 TYR A 45 -1.388 6.510 -6.502 1.00 0.00 C ATOM 644 CD2 TYR A 45 0.797 7.092 -7.257 1.00 0.00 C ATOM 645 CE1 TYR A 45 -1.937 7.448 -7.353 1.00 0.00 C ATOM 646 CE2 TYR A 45 0.256 8.033 -8.111 1.00 0.00 C ATOM 647 CZ TYR A 45 -1.112 8.207 -8.156 1.00 0.00 C ATOM 648 OH TYR A 45 -1.656 9.144 -9.005 1.00 0.00 O ATOM 0 H TYR A 45 1.738 6.370 -3.477 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.031 5.645 -4.132 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.663 5.432 -5.461 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.413 4.291 -5.916 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.038 5.918 -5.874 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.868 6.958 -7.224 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.007 7.587 -7.390 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.900 8.629 -8.740 1.00 0.00 H new ATOM 0 HH TYR A 45 -0.939 9.593 -9.499 1.00 0.00 H new ATOM 658 N ILE A 46 -1.034 3.257 -3.433 1.00 0.00 N ATOM 659 CA ILE A 46 -1.096 1.924 -2.848 1.00 0.00 C ATOM 660 C ILE A 46 -1.722 0.927 -3.817 1.00 0.00 C ATOM 661 O ILE A 46 -2.844 1.122 -4.286 1.00 0.00 O ATOM 662 CB ILE A 46 -1.901 1.922 -1.535 1.00 0.00 C ATOM 663 CG1 ILE A 46 -1.322 2.943 -0.554 1.00 0.00 C ATOM 664 CG2 ILE A 46 -1.905 0.531 -0.918 1.00 0.00 C ATOM 665 CD1 ILE A 46 -2.340 3.487 0.423 1.00 0.00 C ATOM 0 H ILE A 46 -1.916 3.587 -3.826 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.070 1.625 -2.635 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.930 2.203 -1.758 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.508 2.479 0.003 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.891 3.771 -1.116 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.478 0.546 0.009 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.359 -0.174 -1.614 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.881 0.224 -0.707 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.859 4.205 1.088 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.142 3.981 -0.125 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.753 2.668 1.012 1.00 0.00 H new ATOM 677 N TYR A 47 -0.991 -0.143 -4.111 1.00 0.00 N ATOM 678 CA TYR A 47 -1.474 -1.171 -5.025 1.00 0.00 C ATOM 679 C TYR A 47 -1.874 -2.431 -4.264 1.00 0.00 C ATOM 680 O TYR A 47 -1.292 -2.757 -3.229 1.00 0.00 O ATOM 681 CB TYR A 47 -0.401 -1.507 -6.062 1.00 0.00 C ATOM 682 CG TYR A 47 0.008 -0.326 -6.914 1.00 0.00 C ATOM 683 CD1 TYR A 47 0.586 0.801 -6.343 1.00 0.00 C ATOM 684 CD2 TYR A 47 -0.183 -0.339 -8.290 1.00 0.00 C ATOM 685 CE1 TYR A 47 0.961 1.881 -7.117 1.00 0.00 C ATOM 686 CE2 TYR A 47 0.190 0.737 -9.072 1.00 0.00 C ATOM 687 CZ TYR A 47 0.761 1.845 -8.482 1.00 0.00 C ATOM 688 OH TYR A 47 1.134 2.919 -9.257 1.00 0.00 O ATOM 0 H TYR A 47 -0.062 -0.321 -3.729 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.354 -0.782 -5.537 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.479 -1.897 -5.549 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.770 -2.302 -6.710 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.745 0.833 -5.275 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.630 -1.204 -8.756 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.409 2.749 -6.657 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.035 0.711 -10.141 1.00 0.00 H new ATOM 0 HH TYR A 47 0.926 2.733 -10.196 1.00 0.00 H new ATOM 698 N TYR A 48 -2.872 -3.137 -4.785 1.00 0.00 N ATOM 699 CA TYR A 48 -3.352 -4.361 -4.155 1.00 0.00 C ATOM 700 C TYR A 48 -4.063 -5.253 -5.169 1.00 0.00 C ATOM 701 O TYR A 48 -4.744 -4.765 -6.071 1.00 0.00 O ATOM 702 CB TYR A 48 -4.299 -4.028 -3.001 1.00 0.00 C ATOM 703 CG TYR A 48 -5.341 -2.990 -3.352 1.00 0.00 C ATOM 704 CD1 TYR A 48 -5.038 -1.635 -3.320 1.00 0.00 C ATOM 705 CD2 TYR A 48 -6.628 -3.365 -3.718 1.00 0.00 C ATOM 706 CE1 TYR A 48 -5.987 -0.683 -3.639 1.00 0.00 C ATOM 707 CE2 TYR A 48 -7.583 -2.421 -4.040 1.00 0.00 C ATOM 708 CZ TYR A 48 -7.258 -1.081 -3.999 1.00 0.00 C ATOM 709 OH TYR A 48 -8.206 -0.136 -4.320 1.00 0.00 O ATOM 0 H TYR A 48 -3.364 -2.882 -5.642 1.00 0.00 H new ATOM 0 HA TYR A 48 -2.489 -4.901 -3.765 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -4.801 -4.940 -2.680 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -3.714 -3.671 -2.154 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.043 -1.320 -3.041 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.886 -4.413 -3.751 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -5.735 0.367 -3.607 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -8.579 -2.730 -4.322 1.00 0.00 H new ATOM 0 HH TYR A 48 -8.187 0.585 -3.656 1.00 0.00 H new ATOM 719 N ARG A 49 -3.898 -6.562 -5.013 1.00 0.00 N ATOM 720 CA ARG A 49 -4.523 -7.523 -5.915 1.00 0.00 C ATOM 721 C ARG A 49 -4.460 -8.933 -5.334 1.00 0.00 C ATOM 722 O ARG A 49 -3.458 -9.347 -4.750 1.00 0.00 O ATOM 723 CB ARG A 49 -3.837 -7.492 -7.282 1.00 0.00 C ATOM 724 CG ARG A 49 -2.446 -8.105 -7.279 1.00 0.00 C ATOM 725 CD ARG A 49 -2.490 -9.590 -7.601 1.00 0.00 C ATOM 726 NE ARG A 49 -1.405 -10.323 -6.955 1.00 0.00 N ATOM 727 CZ ARG A 49 -0.955 -11.498 -7.382 1.00 0.00 C ATOM 728 NH1 ARG A 49 -1.494 -12.070 -8.450 1.00 0.00 N ATOM 729 NH2 ARG A 49 0.037 -12.103 -6.741 1.00 0.00 N ATOM 0 H ARG A 49 -3.337 -6.982 -4.271 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.570 -7.244 -6.035 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.458 -8.024 -8.003 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.769 -6.458 -7.622 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.820 -7.592 -8.009 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.984 -7.957 -6.303 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.447 -10.002 -7.280 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.429 -9.729 -8.680 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.968 -9.910 -6.131 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.256 -11.608 -8.946 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.146 -12.972 -8.775 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.455 -11.666 -5.920 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.382 -13.005 -7.070 1.00 0.00 H new ATOM 743 N PRO A 50 -5.556 -9.689 -5.497 1.00 0.00 N ATOM 744 CA PRO A 50 -5.651 -11.064 -4.996 1.00 0.00 C ATOM 745 C PRO A 50 -4.753 -12.025 -5.768 1.00 0.00 C ATOM 746 O PRO A 50 -4.539 -11.862 -6.970 1.00 0.00 O ATOM 747 CB PRO A 50 -7.124 -11.419 -5.211 1.00 0.00 C ATOM 748 CG PRO A 50 -7.567 -10.538 -6.328 1.00 0.00 C ATOM 749 CD PRO A 50 -6.787 -9.261 -6.183 1.00 0.00 C ATOM 0 HA PRO A 50 -5.327 -11.143 -3.958 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -7.244 -12.472 -5.466 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.710 -11.240 -4.309 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.374 -11.005 -7.294 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.639 -10.349 -6.274 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -6.571 -8.810 -7.151 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.334 -8.520 -5.601 1.00 0.00 H new ATOM 757 N THR A 51 -4.230 -13.028 -5.070 1.00 0.00 N ATOM 758 CA THR A 51 -3.354 -14.016 -5.690 1.00 0.00 C ATOM 759 C THR A 51 -4.021 -14.658 -6.900 1.00 0.00 C ATOM 760 O THR A 51 -3.347 -15.191 -7.782 1.00 0.00 O ATOM 761 CB THR A 51 -2.956 -15.119 -4.691 1.00 0.00 C ATOM 762 OG1 THR A 51 -1.730 -15.733 -5.103 1.00 0.00 O ATOM 763 CG2 THR A 51 -4.048 -16.174 -4.587 1.00 0.00 C ATOM 0 H THR A 51 -4.397 -13.178 -4.075 1.00 0.00 H new ATOM 0 HA THR A 51 -2.457 -13.487 -6.011 1.00 0.00 H new ATOM 0 HB THR A 51 -2.821 -14.661 -3.711 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.483 -16.432 -4.462 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.745 -16.943 -3.876 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.973 -15.708 -4.246 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.210 -16.628 -5.565 1.00 0.00 H new ATOM 771 N ASP A 52 -5.348 -14.605 -6.937 1.00 0.00 N ATOM 772 CA ASP A 52 -6.106 -15.181 -8.042 1.00 0.00 C ATOM 773 C ASP A 52 -5.975 -14.322 -9.296 1.00 0.00 C ATOM 774 O ASP A 52 -6.148 -14.809 -10.414 1.00 0.00 O ATOM 775 CB ASP A 52 -7.580 -15.323 -7.658 1.00 0.00 C ATOM 776 CG ASP A 52 -8.353 -16.183 -8.638 1.00 0.00 C ATOM 777 OD1 ASP A 52 -8.839 -15.638 -9.651 1.00 0.00 O ATOM 778 OD2 ASP A 52 -8.472 -17.401 -8.392 1.00 0.00 O ATOM 0 H ASP A 52 -5.921 -14.169 -6.215 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.697 -16.169 -8.255 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.653 -15.758 -6.661 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.036 -14.334 -7.608 1.00 0.00 H new ATOM 783 N SER A 53 -5.670 -13.043 -9.103 1.00 0.00 N ATOM 784 CA SER A 53 -5.521 -12.116 -10.219 1.00 0.00 C ATOM 785 C SER A 53 -4.654 -12.723 -11.317 1.00 0.00 C ATOM 786 O SER A 53 -3.783 -13.551 -11.050 1.00 0.00 O ATOM 787 CB SER A 53 -4.907 -10.800 -9.737 1.00 0.00 C ATOM 788 OG SER A 53 -5.900 -9.934 -9.216 1.00 0.00 O ATOM 0 H SER A 53 -5.521 -12.625 -8.185 1.00 0.00 H new ATOM 0 HA SER A 53 -6.511 -11.918 -10.630 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.159 -11.003 -8.971 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.391 -10.311 -10.564 1.00 0.00 H new ATOM 0 HG SER A 53 -6.777 -10.367 -9.278 1.00 0.00 H new ATOM 794 N ASP A 54 -4.900 -12.305 -12.554 1.00 0.00 N ATOM 795 CA ASP A 54 -4.142 -12.806 -13.695 1.00 0.00 C ATOM 796 C ASP A 54 -2.668 -12.430 -13.576 1.00 0.00 C ATOM 797 O ASP A 54 -1.795 -13.296 -13.574 1.00 0.00 O ATOM 798 CB ASP A 54 -4.718 -12.253 -15.000 1.00 0.00 C ATOM 799 CG ASP A 54 -4.528 -13.204 -16.165 1.00 0.00 C ATOM 800 OD1 ASP A 54 -3.399 -13.707 -16.342 1.00 0.00 O ATOM 801 OD2 ASP A 54 -5.508 -13.444 -16.902 1.00 0.00 O ATOM 0 H ASP A 54 -5.618 -11.621 -12.792 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.222 -13.893 -13.703 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.781 -12.052 -14.868 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -4.240 -11.301 -15.230 1.00 0.00 H new ATOM 806 N ASN A 55 -2.400 -11.132 -13.478 1.00 0.00 N ATOM 807 CA ASN A 55 -1.032 -10.640 -13.360 1.00 0.00 C ATOM 808 C ASN A 55 -1.009 -9.232 -12.773 1.00 0.00 C ATOM 809 O ASN A 55 -2.045 -8.692 -12.388 1.00 0.00 O ATOM 810 CB ASN A 55 -0.347 -10.646 -14.728 1.00 0.00 C ATOM 811 CG ASN A 55 -1.278 -10.211 -15.843 1.00 0.00 C ATOM 812 OD1 ASN A 55 -2.147 -10.969 -16.273 1.00 0.00 O ATOM 813 ND2 ASN A 55 -1.098 -8.983 -16.317 1.00 0.00 N ATOM 0 H ASN A 55 -3.112 -10.402 -13.478 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.490 -11.304 -12.686 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.518 -9.983 -14.701 1.00 0.00 H new ATOM 0 HB3 ASN A 55 0.026 -11.648 -14.940 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.693 -8.634 -17.068 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.365 -8.389 -15.930 1.00 0.00 H new ATOM 820 N ASP A 56 0.181 -8.645 -12.708 1.00 0.00 N ATOM 821 CA ASP A 56 0.340 -7.299 -12.169 1.00 0.00 C ATOM 822 C ASP A 56 -0.694 -6.349 -12.765 1.00 0.00 C ATOM 823 O ASP A 56 -1.216 -5.472 -12.076 1.00 0.00 O ATOM 824 CB ASP A 56 1.751 -6.778 -12.451 1.00 0.00 C ATOM 825 CG ASP A 56 2.790 -7.400 -11.540 1.00 0.00 C ATOM 826 OD1 ASP A 56 2.597 -8.563 -11.127 1.00 0.00 O ATOM 827 OD2 ASP A 56 3.797 -6.725 -11.239 1.00 0.00 O ATOM 0 H ASP A 56 1.049 -9.079 -13.021 1.00 0.00 H new ATOM 0 HA ASP A 56 0.186 -7.345 -11.091 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.011 -6.985 -13.489 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.766 -5.695 -12.329 1.00 0.00 H new ATOM 832 N SER A 57 -0.986 -6.530 -14.049 1.00 0.00 N ATOM 833 CA SER A 57 -1.955 -5.686 -14.739 1.00 0.00 C ATOM 834 C SER A 57 -3.190 -5.457 -13.873 1.00 0.00 C ATOM 835 O SER A 57 -3.920 -4.483 -14.059 1.00 0.00 O ATOM 836 CB SER A 57 -2.362 -6.323 -16.069 1.00 0.00 C ATOM 837 OG SER A 57 -2.971 -5.372 -16.925 1.00 0.00 O ATOM 0 H SER A 57 -0.566 -7.253 -14.633 1.00 0.00 H new ATOM 0 HA SER A 57 -1.486 -4.722 -14.934 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.484 -6.746 -16.557 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.052 -7.146 -15.885 1.00 0.00 H new ATOM 0 HG SER A 57 -3.220 -5.804 -17.769 1.00 0.00 H new ATOM 843 N ASP A 58 -3.416 -6.361 -12.926 1.00 0.00 N ATOM 844 CA ASP A 58 -4.562 -6.258 -12.029 1.00 0.00 C ATOM 845 C ASP A 58 -4.294 -5.246 -10.919 1.00 0.00 C ATOM 846 O ASP A 58 -5.173 -4.467 -10.550 1.00 0.00 O ATOM 847 CB ASP A 58 -4.886 -7.624 -11.423 1.00 0.00 C ATOM 848 CG ASP A 58 -6.354 -7.768 -11.071 1.00 0.00 C ATOM 849 OD1 ASP A 58 -6.763 -7.249 -10.011 1.00 0.00 O ATOM 850 OD2 ASP A 58 -7.093 -8.397 -11.856 1.00 0.00 O ATOM 0 H ASP A 58 -2.821 -7.173 -12.759 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.418 -5.915 -12.610 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.606 -8.407 -12.128 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.284 -7.772 -10.526 1.00 0.00 H new ATOM 855 N TYR A 59 -3.075 -5.264 -10.391 1.00 0.00 N ATOM 856 CA TYR A 59 -2.693 -4.351 -9.320 1.00 0.00 C ATOM 857 C TYR A 59 -3.373 -2.996 -9.491 1.00 0.00 C ATOM 858 O TYR A 59 -3.206 -2.328 -10.512 1.00 0.00 O ATOM 859 CB TYR A 59 -1.174 -4.173 -9.292 1.00 0.00 C ATOM 860 CG TYR A 59 -0.463 -5.168 -8.403 1.00 0.00 C ATOM 861 CD1 TYR A 59 -0.941 -5.457 -7.131 1.00 0.00 C ATOM 862 CD2 TYR A 59 0.686 -5.818 -8.835 1.00 0.00 C ATOM 863 CE1 TYR A 59 -0.295 -6.365 -6.314 1.00 0.00 C ATOM 864 CE2 TYR A 59 1.338 -6.729 -8.026 1.00 0.00 C ATOM 865 CZ TYR A 59 0.844 -6.998 -6.766 1.00 0.00 C ATOM 866 OH TYR A 59 1.491 -7.904 -5.957 1.00 0.00 O ATOM 0 H TYR A 59 -2.335 -5.900 -10.687 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.019 -4.783 -8.374 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.787 -4.265 -10.307 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -0.941 -3.164 -8.952 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.833 -4.963 -6.775 1.00 0.00 H new ATOM 0 HD2 TYR A 59 1.076 -5.608 -9.820 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.680 -6.578 -5.327 1.00 0.00 H new ATOM 0 HE2 TYR A 59 2.229 -7.228 -8.378 1.00 0.00 H new ATOM 0 HH TYR A 59 2.274 -8.260 -6.426 1.00 0.00 H new ATOM 876 N LYS A 60 -4.140 -2.595 -8.483 1.00 0.00 N ATOM 877 CA LYS A 60 -4.845 -1.319 -8.518 1.00 0.00 C ATOM 878 C LYS A 60 -3.961 -0.195 -7.990 1.00 0.00 C ATOM 879 O LYS A 60 -2.784 -0.403 -7.691 1.00 0.00 O ATOM 880 CB LYS A 60 -6.131 -1.401 -7.694 1.00 0.00 C ATOM 881 CG LYS A 60 -7.289 -2.047 -8.435 1.00 0.00 C ATOM 882 CD LYS A 60 -8.488 -2.254 -7.525 1.00 0.00 C ATOM 883 CE LYS A 60 -9.424 -3.322 -8.071 1.00 0.00 C ATOM 884 NZ LYS A 60 -10.695 -3.393 -7.298 1.00 0.00 N ATOM 0 H LYS A 60 -4.289 -3.136 -7.631 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.099 -1.101 -9.555 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.933 -1.966 -6.783 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.422 -0.396 -7.389 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.576 -1.421 -9.280 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.971 -3.006 -8.843 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.146 -2.542 -6.531 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.030 -1.315 -7.416 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.646 -3.110 -9.117 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.926 -4.291 -8.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.306 -4.132 -7.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.485 -3.620 -6.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.183 -2.476 -7.347 1.00 0.00 H new ATOM 898 N LYS A 61 -4.534 0.998 -7.875 1.00 0.00 N ATOM 899 CA LYS A 61 -3.800 2.157 -7.380 1.00 0.00 C ATOM 900 C LYS A 61 -4.716 3.084 -6.588 1.00 0.00 C ATOM 901 O LYS A 61 -5.739 3.544 -7.097 1.00 0.00 O ATOM 902 CB LYS A 61 -3.165 2.920 -8.544 1.00 0.00 C ATOM 903 CG LYS A 61 -2.131 3.944 -8.109 1.00 0.00 C ATOM 904 CD LYS A 61 -1.357 4.494 -9.295 1.00 0.00 C ATOM 905 CE LYS A 61 -2.208 5.442 -10.125 1.00 0.00 C ATOM 906 NZ LYS A 61 -1.373 6.337 -10.974 1.00 0.00 N ATOM 0 H LYS A 61 -5.506 1.188 -8.118 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.013 1.800 -6.716 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.695 2.207 -9.221 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.950 3.425 -9.107 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.626 4.762 -7.585 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.439 3.486 -7.403 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.469 5.017 -8.940 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.013 3.670 -9.920 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.882 4.865 -10.758 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.830 6.045 -9.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.937 6.677 -11.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.051 7.149 -10.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.548 5.811 -11.326 1.00 0.00 H new ATOM 920 N ASP A 62 -4.342 3.357 -5.343 1.00 0.00 N ATOM 921 CA ASP A 62 -5.129 4.232 -4.483 1.00 0.00 C ATOM 922 C ASP A 62 -4.295 5.415 -4.002 1.00 0.00 C ATOM 923 O ASP A 62 -3.356 5.250 -3.224 1.00 0.00 O ATOM 924 CB ASP A 62 -5.669 3.452 -3.283 1.00 0.00 C ATOM 925 CG ASP A 62 -7.009 2.802 -3.570 1.00 0.00 C ATOM 926 OD1 ASP A 62 -7.634 3.158 -4.591 1.00 0.00 O ATOM 927 OD2 ASP A 62 -7.431 1.938 -2.775 1.00 0.00 O ATOM 0 H ASP A 62 -3.498 2.985 -4.907 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.967 4.614 -5.065 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.949 2.684 -2.999 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.770 4.125 -2.432 1.00 0.00 H new ATOM 932 N MET A 63 -4.644 6.609 -4.472 1.00 0.00 N ATOM 933 CA MET A 63 -3.926 7.819 -4.089 1.00 0.00 C ATOM 934 C MET A 63 -4.284 8.236 -2.666 1.00 0.00 C ATOM 935 O MET A 63 -5.445 8.175 -2.264 1.00 0.00 O ATOM 936 CB MET A 63 -4.247 8.956 -5.062 1.00 0.00 C ATOM 937 CG MET A 63 -3.159 10.015 -5.138 1.00 0.00 C ATOM 938 SD MET A 63 -3.801 11.640 -5.583 1.00 0.00 S ATOM 939 CE MET A 63 -4.036 12.366 -3.962 1.00 0.00 C ATOM 0 H MET A 63 -5.418 6.764 -5.118 1.00 0.00 H new ATOM 0 HA MET A 63 -2.858 7.606 -4.128 1.00 0.00 H new ATOM 0 HB2 MET A 63 -4.407 8.539 -6.056 1.00 0.00 H new ATOM 0 HB3 MET A 63 -5.182 9.428 -4.761 1.00 0.00 H new ATOM 0 HG2 MET A 63 -2.653 10.080 -4.175 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.412 9.711 -5.871 1.00 0.00 H new ATOM 0 HE1 MET A 63 -4.430 13.376 -4.070 1.00 0.00 H new ATOM 0 HE2 MET A 63 -4.740 11.761 -3.391 1.00 0.00 H new ATOM 0 HE3 MET A 63 -3.081 12.403 -3.438 1.00 0.00 H new ATOM 949 N VAL A 64 -3.277 8.659 -1.908 1.00 0.00 N ATOM 950 CA VAL A 64 -3.485 9.087 -0.529 1.00 0.00 C ATOM 951 C VAL A 64 -2.688 10.349 -0.219 1.00 0.00 C ATOM 952 O VAL A 64 -1.559 10.510 -0.682 1.00 0.00 O ATOM 953 CB VAL A 64 -3.087 7.983 0.467 1.00 0.00 C ATOM 954 CG1 VAL A 64 -3.580 8.321 1.866 1.00 0.00 C ATOM 955 CG2 VAL A 64 -3.628 6.635 0.014 1.00 0.00 C ATOM 0 H VAL A 64 -2.309 8.715 -2.225 1.00 0.00 H new ATOM 0 HA VAL A 64 -4.549 9.297 -0.420 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.999 7.921 0.496 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.289 7.529 2.556 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.139 9.264 2.189 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.666 8.413 1.857 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.337 5.867 0.730 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.715 6.681 -0.047 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.220 6.390 -0.967 1.00 0.00 H new ATOM 965 N GLU A 65 -3.283 11.240 0.568 1.00 0.00 N ATOM 966 CA GLU A 65 -2.627 12.488 0.940 1.00 0.00 C ATOM 967 C GLU A 65 -1.147 12.258 1.234 1.00 0.00 C ATOM 968 O GLU A 65 -0.754 11.187 1.693 1.00 0.00 O ATOM 969 CB GLU A 65 -3.311 13.105 2.162 1.00 0.00 C ATOM 970 CG GLU A 65 -4.809 12.851 2.213 1.00 0.00 C ATOM 971 CD GLU A 65 -5.493 13.123 0.888 1.00 0.00 C ATOM 972 OE1 GLU A 65 -5.015 14.005 0.144 1.00 0.00 O ATOM 973 OE2 GLU A 65 -6.505 12.454 0.594 1.00 0.00 O ATOM 0 H GLU A 65 -4.217 11.121 0.960 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.710 13.177 0.099 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.852 12.705 3.066 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.133 14.180 2.164 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.988 11.816 2.504 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.254 13.481 2.983 1.00 0.00 H new ATOM 980 N GLY A 66 -0.332 13.273 0.965 1.00 0.00 N ATOM 981 CA GLY A 66 1.095 13.163 1.206 1.00 0.00 C ATOM 982 C GLY A 66 1.435 13.167 2.683 1.00 0.00 C ATOM 983 O GLY A 66 2.466 12.631 3.091 1.00 0.00 O ATOM 0 H GLY A 66 -0.634 14.170 0.584 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.467 12.244 0.753 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.608 13.990 0.716 1.00 0.00 H new ATOM 987 N ASP A 67 0.569 13.774 3.487 1.00 0.00 N ATOM 988 CA ASP A 67 0.783 13.846 4.927 1.00 0.00 C ATOM 989 C ASP A 67 0.168 12.640 5.630 1.00 0.00 C ATOM 990 O ASP A 67 0.273 12.499 6.848 1.00 0.00 O ATOM 991 CB ASP A 67 0.187 15.138 5.489 1.00 0.00 C ATOM 992 CG ASP A 67 0.952 16.369 5.046 1.00 0.00 C ATOM 993 OD1 ASP A 67 0.674 16.874 3.938 1.00 0.00 O ATOM 994 OD2 ASP A 67 1.828 16.829 5.808 1.00 0.00 O ATOM 0 H ASP A 67 -0.288 14.223 3.165 1.00 0.00 H new ATOM 0 HA ASP A 67 1.858 13.841 5.110 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.851 15.225 5.169 1.00 0.00 H new ATOM 0 HB3 ASP A 67 0.182 15.089 6.578 1.00 0.00 H new ATOM 999 N ARG A 68 -0.474 11.774 4.853 1.00 0.00 N ATOM 1000 CA ARG A 68 -1.108 10.581 5.401 1.00 0.00 C ATOM 1001 C ARG A 68 -0.154 9.391 5.361 1.00 0.00 C ATOM 1002 O ARG A 68 0.424 9.081 4.319 1.00 0.00 O ATOM 1003 CB ARG A 68 -2.384 10.252 4.622 1.00 0.00 C ATOM 1004 CG ARG A 68 -3.357 9.374 5.391 1.00 0.00 C ATOM 1005 CD ARG A 68 -4.315 10.205 6.230 1.00 0.00 C ATOM 1006 NE ARG A 68 -5.611 9.551 6.391 1.00 0.00 N ATOM 1007 CZ ARG A 68 -6.573 9.589 5.476 1.00 0.00 C ATOM 1008 NH1 ARG A 68 -6.385 10.247 4.340 1.00 0.00 N ATOM 1009 NH2 ARG A 68 -7.725 8.969 5.696 1.00 0.00 N ATOM 0 H ARG A 68 -0.569 11.876 3.843 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.367 10.783 6.441 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.884 11.182 4.350 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.113 9.752 3.692 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.924 8.759 4.692 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.802 8.694 6.037 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.875 10.384 7.211 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.456 11.179 5.761 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.787 9.037 7.254 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.501 10.725 4.168 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.125 10.275 3.638 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.873 8.462 6.569 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.463 8.999 4.992 1.00 0.00 H new ATOM 1023 N TYR A 69 0.005 8.728 6.501 1.00 0.00 N ATOM 1024 CA TYR A 69 0.891 7.574 6.597 1.00 0.00 C ATOM 1025 C TYR A 69 0.102 6.305 6.900 1.00 0.00 C ATOM 1026 O TYR A 69 0.673 5.277 7.262 1.00 0.00 O ATOM 1027 CB TYR A 69 1.946 7.804 7.681 1.00 0.00 C ATOM 1028 CG TYR A 69 3.166 8.550 7.191 1.00 0.00 C ATOM 1029 CD1 TYR A 69 3.043 9.634 6.331 1.00 0.00 C ATOM 1030 CD2 TYR A 69 4.442 8.172 7.590 1.00 0.00 C ATOM 1031 CE1 TYR A 69 4.155 10.318 5.880 1.00 0.00 C ATOM 1032 CE2 TYR A 69 5.560 8.851 7.146 1.00 0.00 C ATOM 1033 CZ TYR A 69 5.411 9.923 6.291 1.00 0.00 C ATOM 1034 OH TYR A 69 6.522 10.603 5.845 1.00 0.00 O ATOM 0 H TYR A 69 -0.468 8.970 7.372 1.00 0.00 H new ATOM 0 HA TYR A 69 1.389 7.449 5.635 1.00 0.00 H new ATOM 0 HB2 TYR A 69 1.495 8.361 8.502 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.257 6.840 8.083 1.00 0.00 H new ATOM 0 HD1 TYR A 69 2.061 9.947 6.009 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.562 7.333 8.259 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.042 11.157 5.210 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.545 8.544 7.466 1.00 0.00 H new ATOM 0 HH TYR A 69 6.917 11.107 6.587 1.00 0.00 H new ATOM 1044 N TRP A 70 -1.215 6.385 6.749 1.00 0.00 N ATOM 1045 CA TRP A 70 -2.085 5.243 7.006 1.00 0.00 C ATOM 1046 C TRP A 70 -3.216 5.180 5.985 1.00 0.00 C ATOM 1047 O TRP A 70 -3.679 6.209 5.492 1.00 0.00 O ATOM 1048 CB TRP A 70 -2.663 5.323 8.420 1.00 0.00 C ATOM 1049 CG TRP A 70 -3.732 6.363 8.567 1.00 0.00 C ATOM 1050 CD1 TRP A 70 -3.561 7.717 8.589 1.00 0.00 C ATOM 1051 CD2 TRP A 70 -5.137 6.131 8.713 1.00 0.00 C ATOM 1052 NE1 TRP A 70 -4.775 8.342 8.741 1.00 0.00 N ATOM 1053 CE2 TRP A 70 -5.758 7.392 8.819 1.00 0.00 C ATOM 1054 CE3 TRP A 70 -5.932 4.983 8.764 1.00 0.00 C ATOM 1055 CZ2 TRP A 70 -7.135 7.532 8.973 1.00 0.00 C ATOM 1056 CZ3 TRP A 70 -7.298 5.124 8.917 1.00 0.00 C ATOM 1057 CH2 TRP A 70 -7.888 6.391 9.019 1.00 0.00 C ATOM 0 H TRP A 70 -1.704 7.229 6.450 1.00 0.00 H new ATOM 0 HA TRP A 70 -1.487 4.336 6.916 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.072 4.350 8.693 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -1.858 5.538 9.122 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -2.611 8.223 8.500 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -4.920 9.350 8.788 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -5.486 4.002 8.685 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -7.592 8.507 9.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -7.921 4.243 8.959 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -8.959 6.468 9.136 1.00 0.00 H new ATOM 1068 N HIS A 71 -3.656 3.966 5.670 1.00 0.00 N ATOM 1069 CA HIS A 71 -4.734 3.769 4.708 1.00 0.00 C ATOM 1070 C HIS A 71 -5.399 2.410 4.906 1.00 0.00 C ATOM 1071 O HIS A 71 -4.723 1.386 5.003 1.00 0.00 O ATOM 1072 CB HIS A 71 -4.199 3.884 3.280 1.00 0.00 C ATOM 1073 CG HIS A 71 -5.270 3.852 2.234 1.00 0.00 C ATOM 1074 ND1 HIS A 71 -6.286 4.783 2.169 1.00 0.00 N ATOM 1075 CD2 HIS A 71 -5.480 2.996 1.207 1.00 0.00 C ATOM 1076 CE1 HIS A 71 -7.075 4.499 1.148 1.00 0.00 C ATOM 1077 NE2 HIS A 71 -6.607 3.420 0.547 1.00 0.00 N ATOM 0 H HIS A 71 -3.282 3.104 6.067 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.480 4.546 4.873 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -3.638 4.814 3.185 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -3.499 3.069 3.096 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -4.874 2.139 0.954 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -7.953 5.055 0.855 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -7.016 2.974 -0.274 1.00 0.00 H new ATOM 1086 N SER A 72 -6.727 2.409 4.967 1.00 0.00 N ATOM 1087 CA SER A 72 -7.482 1.177 5.159 1.00 0.00 C ATOM 1088 C SER A 72 -8.164 0.750 3.863 1.00 0.00 C ATOM 1089 O SER A 72 -9.164 1.340 3.452 1.00 0.00 O ATOM 1090 CB SER A 72 -8.527 1.360 6.262 1.00 0.00 C ATOM 1091 OG SER A 72 -9.677 2.026 5.769 1.00 0.00 O ATOM 0 H SER A 72 -7.302 3.248 4.886 1.00 0.00 H new ATOM 0 HA SER A 72 -6.783 0.395 5.456 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.810 0.387 6.664 1.00 0.00 H new ATOM 0 HB3 SER A 72 -8.096 1.931 7.084 1.00 0.00 H new ATOM 0 HG SER A 72 -9.493 2.375 4.872 1.00 0.00 H new ATOM 1097 N ILE A 73 -7.616 -0.278 3.223 1.00 0.00 N ATOM 1098 CA ILE A 73 -8.171 -0.784 1.975 1.00 0.00 C ATOM 1099 C ILE A 73 -9.470 -1.546 2.219 1.00 0.00 C ATOM 1100 O ILE A 73 -9.634 -2.198 3.250 1.00 0.00 O ATOM 1101 CB ILE A 73 -7.175 -1.709 1.250 1.00 0.00 C ATOM 1102 CG1 ILE A 73 -5.788 -1.065 1.205 1.00 0.00 C ATOM 1103 CG2 ILE A 73 -7.667 -2.018 -0.157 1.00 0.00 C ATOM 1104 CD1 ILE A 73 -4.688 -2.027 0.816 1.00 0.00 C ATOM 0 H ILE A 73 -6.788 -0.776 3.549 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.374 0.083 1.346 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.103 -2.646 1.803 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.803 -0.237 0.496 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.561 -0.642 2.184 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.953 -2.672 -0.657 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.637 -2.513 -0.103 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.764 -1.090 -0.720 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.733 -1.502 0.805 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.645 -2.842 1.538 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.892 -2.431 -0.176 1.00 0.00 H new ATOM 1116 N SER A 74 -10.389 -1.460 1.263 1.00 0.00 N ATOM 1117 CA SER A 74 -11.674 -2.140 1.375 1.00 0.00 C ATOM 1118 C SER A 74 -12.008 -2.886 0.087 1.00 0.00 C ATOM 1119 O SER A 74 -11.227 -2.884 -0.866 1.00 0.00 O ATOM 1120 CB SER A 74 -12.781 -1.134 1.697 1.00 0.00 C ATOM 1121 OG SER A 74 -12.296 -0.089 2.523 1.00 0.00 O ATOM 0 H SER A 74 -10.268 -0.926 0.402 1.00 0.00 H new ATOM 0 HA SER A 74 -11.604 -2.865 2.186 1.00 0.00 H new ATOM 0 HB2 SER A 74 -13.177 -0.716 0.772 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.606 -1.643 2.196 1.00 0.00 H new ATOM 0 HG SER A 74 -13.022 0.541 2.713 1.00 0.00 H new ATOM 1127 N HIS A 75 -13.175 -3.523 0.065 1.00 0.00 N ATOM 1128 CA HIS A 75 -13.614 -4.273 -1.107 1.00 0.00 C ATOM 1129 C HIS A 75 -12.580 -5.325 -1.497 1.00 0.00 C ATOM 1130 O HIS A 75 -12.159 -5.398 -2.653 1.00 0.00 O ATOM 1131 CB HIS A 75 -13.864 -3.326 -2.281 1.00 0.00 C ATOM 1132 CG HIS A 75 -15.189 -2.630 -2.217 1.00 0.00 C ATOM 1133 ND1 HIS A 75 -16.366 -3.213 -2.635 1.00 0.00 N ATOM 1134 CD2 HIS A 75 -15.518 -1.393 -1.778 1.00 0.00 C ATOM 1135 CE1 HIS A 75 -17.362 -2.363 -2.458 1.00 0.00 C ATOM 1136 NE2 HIS A 75 -16.875 -1.251 -1.939 1.00 0.00 N ATOM 0 H HIS A 75 -13.833 -3.535 0.844 1.00 0.00 H new ATOM 0 HA HIS A 75 -14.545 -4.780 -0.855 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -13.071 -2.579 -2.310 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -13.804 -3.890 -3.212 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -14.840 -0.655 -1.376 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -18.399 -2.547 -2.697 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -17.418 -0.422 -1.697 1.00 0.00 H new ATOM 1145 N LEU A 76 -12.174 -6.137 -0.528 1.00 0.00 N ATOM 1146 CA LEU A 76 -11.188 -7.185 -0.770 1.00 0.00 C ATOM 1147 C LEU A 76 -11.822 -8.567 -0.651 1.00 0.00 C ATOM 1148 O LEU A 76 -13.030 -8.690 -0.451 1.00 0.00 O ATOM 1149 CB LEU A 76 -10.026 -7.058 0.217 1.00 0.00 C ATOM 1150 CG LEU A 76 -9.335 -5.695 0.269 1.00 0.00 C ATOM 1151 CD1 LEU A 76 -8.593 -5.522 1.585 1.00 0.00 C ATOM 1152 CD2 LEU A 76 -8.383 -5.535 -0.908 1.00 0.00 C ATOM 0 H LEU A 76 -12.512 -6.090 0.433 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.809 -7.065 -1.785 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.396 -7.294 1.215 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.280 -7.812 -0.033 1.00 0.00 H new ATOM 0 HG LEU A 76 -10.098 -4.919 0.202 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.108 -4.546 1.603 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.299 -5.592 2.413 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.840 -6.304 1.684 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.900 -4.559 -0.855 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.625 -6.318 -0.872 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.941 -5.613 -1.841 1.00 0.00 H new ATOM 1164 N GLN A 77 -10.998 -9.603 -0.774 1.00 0.00 N ATOM 1165 CA GLN A 77 -11.479 -10.976 -0.679 1.00 0.00 C ATOM 1166 C GLN A 77 -11.241 -11.541 0.717 1.00 0.00 C ATOM 1167 O GLN A 77 -10.206 -11.304 1.341 1.00 0.00 O ATOM 1168 CB GLN A 77 -10.787 -11.855 -1.723 1.00 0.00 C ATOM 1169 CG GLN A 77 -10.826 -11.276 -3.128 1.00 0.00 C ATOM 1170 CD GLN A 77 -9.823 -10.156 -3.326 1.00 0.00 C ATOM 1171 OE1 GLN A 77 -9.024 -9.858 -2.437 1.00 0.00 O ATOM 1172 NE2 GLN A 77 -9.859 -9.528 -4.495 1.00 0.00 N ATOM 0 H GLN A 77 -9.995 -9.517 -0.939 1.00 0.00 H new ATOM 0 HA GLN A 77 -12.552 -10.972 -0.871 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -9.748 -12.004 -1.429 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -11.260 -12.837 -1.730 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -10.627 -12.069 -3.849 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -11.829 -10.902 -3.335 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -10.538 -9.808 -5.203 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -9.208 -8.766 -4.685 1.00 0.00 H new ATOM 1181 N PRO A 78 -12.220 -12.306 1.221 1.00 0.00 N ATOM 1182 CA PRO A 78 -12.140 -12.921 2.550 1.00 0.00 C ATOM 1183 C PRO A 78 -11.103 -14.037 2.610 1.00 0.00 C ATOM 1184 O PRO A 78 -10.866 -14.731 1.622 1.00 0.00 O ATOM 1185 CB PRO A 78 -13.546 -13.486 2.765 1.00 0.00 C ATOM 1186 CG PRO A 78 -14.078 -13.712 1.391 1.00 0.00 C ATOM 1187 CD PRO A 78 -13.481 -12.631 0.533 1.00 0.00 C ATOM 0 HA PRO A 78 -11.832 -12.205 3.312 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -13.517 -14.414 3.336 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -14.172 -12.789 3.322 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -13.801 -14.700 1.023 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -15.167 -13.662 1.381 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.305 -12.978 -0.485 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -14.137 -11.763 0.466 1.00 0.00 H new ATOM 1195 N GLU A 79 -10.487 -14.204 3.777 1.00 0.00 N ATOM 1196 CA GLU A 79 -9.475 -15.237 3.964 1.00 0.00 C ATOM 1197 C GLU A 79 -8.666 -15.444 2.687 1.00 0.00 C ATOM 1198 O GLU A 79 -8.374 -16.576 2.300 1.00 0.00 O ATOM 1199 CB GLU A 79 -10.130 -16.554 4.386 1.00 0.00 C ATOM 1200 CG GLU A 79 -11.519 -16.756 3.805 1.00 0.00 C ATOM 1201 CD GLU A 79 -12.022 -18.176 3.976 1.00 0.00 C ATOM 1202 OE1 GLU A 79 -11.347 -19.108 3.491 1.00 0.00 O ATOM 1203 OE2 GLU A 79 -13.092 -18.356 4.595 1.00 0.00 O ATOM 0 H GLU A 79 -10.671 -13.638 4.605 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.798 -14.908 4.752 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -9.492 -17.382 4.078 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.192 -16.587 5.474 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.214 -16.068 4.287 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.505 -16.505 2.744 1.00 0.00 H new ATOM 1210 N THR A 80 -8.307 -14.342 2.035 1.00 0.00 N ATOM 1211 CA THR A 80 -7.534 -14.402 0.801 1.00 0.00 C ATOM 1212 C THR A 80 -6.130 -13.844 1.005 1.00 0.00 C ATOM 1213 O THR A 80 -5.936 -12.630 1.055 1.00 0.00 O ATOM 1214 CB THR A 80 -8.225 -13.621 -0.333 1.00 0.00 C ATOM 1215 OG1 THR A 80 -9.554 -14.117 -0.530 1.00 0.00 O ATOM 1216 CG2 THR A 80 -7.437 -13.739 -1.629 1.00 0.00 C ATOM 0 H THR A 80 -8.540 -13.397 2.341 1.00 0.00 H new ATOM 0 HA THR A 80 -7.467 -15.453 0.520 1.00 0.00 H new ATOM 0 HB THR A 80 -8.268 -12.570 -0.047 1.00 0.00 H new ATOM 0 HG1 THR A 80 -10.051 -14.064 0.313 1.00 0.00 H new ATOM 0 HG21 THR A 80 -7.944 -13.180 -2.415 1.00 0.00 H new ATOM 0 HG22 THR A 80 -6.435 -13.334 -1.484 1.00 0.00 H new ATOM 0 HG23 THR A 80 -7.366 -14.788 -1.918 1.00 0.00 H new ATOM 1224 N SER A 81 -5.154 -14.739 1.121 1.00 0.00 N ATOM 1225 CA SER A 81 -3.767 -14.335 1.322 1.00 0.00 C ATOM 1226 C SER A 81 -3.152 -13.835 0.018 1.00 0.00 C ATOM 1227 O SER A 81 -2.774 -14.627 -0.846 1.00 0.00 O ATOM 1228 CB SER A 81 -2.948 -15.505 1.870 1.00 0.00 C ATOM 1229 OG SER A 81 -1.867 -15.044 2.662 1.00 0.00 O ATOM 0 H SER A 81 -5.298 -15.748 1.079 1.00 0.00 H new ATOM 0 HA SER A 81 -3.753 -13.520 2.046 1.00 0.00 H new ATOM 0 HB2 SER A 81 -3.589 -16.154 2.467 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.567 -16.105 1.044 1.00 0.00 H new ATOM 0 HG SER A 81 -1.360 -15.811 3.002 1.00 0.00 H new ATOM 1235 N TYR A 82 -3.056 -12.517 -0.117 1.00 0.00 N ATOM 1236 CA TYR A 82 -2.490 -11.911 -1.315 1.00 0.00 C ATOM 1237 C TYR A 82 -1.400 -10.906 -0.954 1.00 0.00 C ATOM 1238 O TYR A 82 -1.382 -10.362 0.150 1.00 0.00 O ATOM 1239 CB TYR A 82 -3.586 -11.221 -2.130 1.00 0.00 C ATOM 1240 CG TYR A 82 -4.497 -10.346 -1.299 1.00 0.00 C ATOM 1241 CD1 TYR A 82 -4.054 -9.128 -0.798 1.00 0.00 C ATOM 1242 CD2 TYR A 82 -5.800 -10.736 -1.016 1.00 0.00 C ATOM 1243 CE1 TYR A 82 -4.883 -8.325 -0.038 1.00 0.00 C ATOM 1244 CE2 TYR A 82 -6.636 -9.939 -0.258 1.00 0.00 C ATOM 1245 CZ TYR A 82 -6.173 -8.735 0.228 1.00 0.00 C ATOM 1246 OH TYR A 82 -7.002 -7.938 0.985 1.00 0.00 O ATOM 0 H TYR A 82 -3.363 -11.848 0.589 1.00 0.00 H new ATOM 0 HA TYR A 82 -2.044 -12.703 -1.916 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -3.122 -10.614 -2.907 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.185 -11.980 -2.634 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.045 -8.804 -1.006 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -6.166 -11.679 -1.395 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.523 -7.382 0.346 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -7.646 -10.257 -0.047 1.00 0.00 H new ATOM 0 HH TYR A 82 -7.876 -8.371 1.078 1.00 0.00 H new ATOM 1256 N ASP A 83 -0.493 -10.663 -1.894 1.00 0.00 N ATOM 1257 CA ASP A 83 0.600 -9.722 -1.678 1.00 0.00 C ATOM 1258 C ASP A 83 0.093 -8.284 -1.713 1.00 0.00 C ATOM 1259 O ASP A 83 -0.918 -7.987 -2.350 1.00 0.00 O ATOM 1260 CB ASP A 83 1.687 -9.919 -2.736 1.00 0.00 C ATOM 1261 CG ASP A 83 2.658 -11.023 -2.369 1.00 0.00 C ATOM 1262 OD1 ASP A 83 3.229 -10.968 -1.259 1.00 0.00 O ATOM 1263 OD2 ASP A 83 2.848 -11.943 -3.191 1.00 0.00 O ATOM 0 H ASP A 83 -0.493 -11.105 -2.813 1.00 0.00 H new ATOM 0 HA ASP A 83 1.024 -9.915 -0.693 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.220 -10.153 -3.693 1.00 0.00 H new ATOM 0 HB3 ASP A 83 2.235 -8.986 -2.868 1.00 0.00 H new ATOM 1268 N ILE A 84 0.801 -7.396 -1.023 1.00 0.00 N ATOM 1269 CA ILE A 84 0.423 -5.989 -0.975 1.00 0.00 C ATOM 1270 C ILE A 84 1.654 -5.089 -0.974 1.00 0.00 C ATOM 1271 O ILE A 84 2.584 -5.290 -0.193 1.00 0.00 O ATOM 1272 CB ILE A 84 -0.428 -5.677 0.270 1.00 0.00 C ATOM 1273 CG1 ILE A 84 -1.685 -6.549 0.287 1.00 0.00 C ATOM 1274 CG2 ILE A 84 -0.800 -4.202 0.301 1.00 0.00 C ATOM 1275 CD1 ILE A 84 -2.278 -6.728 1.667 1.00 0.00 C ATOM 0 H ILE A 84 1.639 -7.626 -0.490 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.169 -5.790 -1.869 1.00 0.00 H new ATOM 0 HB ILE A 84 0.160 -5.902 1.160 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.435 -6.104 -0.367 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.443 -7.529 -0.126 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.401 -3.997 1.187 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.107 -3.599 0.331 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.373 -3.952 -0.592 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.166 -7.357 1.603 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.544 -7.201 2.320 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.551 -5.755 2.075 1.00 0.00 H new ATOM 1287 N LYS A 85 1.653 -4.094 -1.855 1.00 0.00 N ATOM 1288 CA LYS A 85 2.767 -3.159 -1.955 1.00 0.00 C ATOM 1289 C LYS A 85 2.270 -1.750 -2.261 1.00 0.00 C ATOM 1290 O LYS A 85 1.125 -1.561 -2.671 1.00 0.00 O ATOM 1291 CB LYS A 85 3.745 -3.613 -3.041 1.00 0.00 C ATOM 1292 CG LYS A 85 3.212 -3.434 -4.453 1.00 0.00 C ATOM 1293 CD LYS A 85 4.309 -3.608 -5.489 1.00 0.00 C ATOM 1294 CE LYS A 85 3.750 -4.100 -6.816 1.00 0.00 C ATOM 1295 NZ LYS A 85 3.158 -2.990 -7.613 1.00 0.00 N ATOM 0 H LYS A 85 0.892 -3.915 -2.510 1.00 0.00 H new ATOM 0 HA LYS A 85 3.282 -3.143 -0.994 1.00 0.00 H new ATOM 0 HB2 LYS A 85 4.674 -3.053 -2.939 1.00 0.00 H new ATOM 0 HB3 LYS A 85 3.987 -4.664 -2.884 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.418 -4.158 -4.638 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.770 -2.443 -4.553 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.823 -2.659 -5.639 1.00 0.00 H new ATOM 0 HD3 LYS A 85 5.050 -4.317 -5.120 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.544 -4.576 -7.391 1.00 0.00 H new ATOM 0 HE3 LYS A 85 2.991 -4.860 -6.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.479 -3.378 -8.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.668 -2.329 -6.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.913 -2.486 -8.121 1.00 0.00 H new ATOM 1309 N MET A 86 3.138 -0.764 -2.061 1.00 0.00 N ATOM 1310 CA MET A 86 2.787 0.628 -2.318 1.00 0.00 C ATOM 1311 C MET A 86 3.994 1.408 -2.828 1.00 0.00 C ATOM 1312 O MET A 86 5.097 0.870 -2.922 1.00 0.00 O ATOM 1313 CB MET A 86 2.242 1.282 -1.047 1.00 0.00 C ATOM 1314 CG MET A 86 3.261 1.369 0.077 1.00 0.00 C ATOM 1315 SD MET A 86 2.782 2.542 1.360 1.00 0.00 S ATOM 1316 CE MET A 86 2.435 3.998 0.375 1.00 0.00 C ATOM 0 H MET A 86 4.090 -0.903 -1.722 1.00 0.00 H new ATOM 0 HA MET A 86 2.014 0.646 -3.087 1.00 0.00 H new ATOM 0 HB2 MET A 86 1.891 2.286 -1.287 1.00 0.00 H new ATOM 0 HB3 MET A 86 1.377 0.717 -0.699 1.00 0.00 H new ATOM 0 HG2 MET A 86 3.390 0.382 0.522 1.00 0.00 H new ATOM 0 HG3 MET A 86 4.227 1.662 -0.335 1.00 0.00 H new ATOM 0 HE1 MET A 86 2.680 4.892 0.948 1.00 0.00 H new ATOM 0 HE2 MET A 86 3.036 3.974 -0.534 1.00 0.00 H new ATOM 0 HE3 MET A 86 1.378 4.015 0.111 1.00 0.00 H new ATOM 1326 N GLN A 87 3.777 2.678 -3.156 1.00 0.00 N ATOM 1327 CA GLN A 87 4.849 3.531 -3.657 1.00 0.00 C ATOM 1328 C GLN A 87 4.428 4.997 -3.645 1.00 0.00 C ATOM 1329 O GLN A 87 3.263 5.320 -3.882 1.00 0.00 O ATOM 1330 CB GLN A 87 5.242 3.112 -5.075 1.00 0.00 C ATOM 1331 CG GLN A 87 6.199 4.079 -5.751 1.00 0.00 C ATOM 1332 CD GLN A 87 6.054 4.084 -7.260 1.00 0.00 C ATOM 1333 OE1 GLN A 87 6.566 3.201 -7.948 1.00 0.00 O ATOM 1334 NE2 GLN A 87 5.352 5.083 -7.784 1.00 0.00 N ATOM 0 H GLN A 87 2.870 3.139 -3.084 1.00 0.00 H new ATOM 0 HA GLN A 87 5.710 3.414 -3.000 1.00 0.00 H new ATOM 0 HB2 GLN A 87 5.702 2.124 -5.039 1.00 0.00 H new ATOM 0 HB3 GLN A 87 4.341 3.022 -5.681 1.00 0.00 H new ATOM 0 HG2 GLN A 87 6.023 5.085 -5.370 1.00 0.00 H new ATOM 0 HG3 GLN A 87 7.223 3.813 -5.489 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.945 5.794 -7.176 1.00 0.00 H new ATOM 0 HE22 GLN A 87 5.220 5.139 -8.794 1.00 0.00 H new ATOM 1343 N CYS A 88 5.382 5.878 -3.369 1.00 0.00 N ATOM 1344 CA CYS A 88 5.110 7.311 -3.325 1.00 0.00 C ATOM 1345 C CYS A 88 5.597 7.996 -4.598 1.00 0.00 C ATOM 1346 O CYS A 88 6.508 7.508 -5.268 1.00 0.00 O ATOM 1347 CB CYS A 88 5.780 7.941 -2.104 1.00 0.00 C ATOM 1348 SG CYS A 88 7.500 8.428 -2.374 1.00 0.00 S ATOM 0 H CYS A 88 6.351 5.626 -3.172 1.00 0.00 H new ATOM 0 HA CYS A 88 4.031 7.449 -3.250 1.00 0.00 H new ATOM 0 HB2 CYS A 88 5.208 8.819 -1.802 1.00 0.00 H new ATOM 0 HB3 CYS A 88 5.740 7.234 -1.276 1.00 0.00 H new ATOM 0 HG CYS A 88 7.979 8.952 -1.285 1.00 0.00 H new ATOM 1354 N PHE A 89 4.984 9.128 -4.926 1.00 0.00 N ATOM 1355 CA PHE A 89 5.353 9.879 -6.120 1.00 0.00 C ATOM 1356 C PHE A 89 5.350 11.379 -5.842 1.00 0.00 C ATOM 1357 O PHE A 89 4.958 11.820 -4.762 1.00 0.00 O ATOM 1358 CB PHE A 89 4.391 9.560 -7.267 1.00 0.00 C ATOM 1359 CG PHE A 89 2.984 10.020 -7.015 1.00 0.00 C ATOM 1360 CD1 PHE A 89 2.182 9.366 -6.093 1.00 0.00 C ATOM 1361 CD2 PHE A 89 2.463 11.106 -7.699 1.00 0.00 C ATOM 1362 CE1 PHE A 89 0.887 9.787 -5.858 1.00 0.00 C ATOM 1363 CE2 PHE A 89 1.168 11.532 -7.468 1.00 0.00 C ATOM 1364 CZ PHE A 89 0.379 10.871 -6.548 1.00 0.00 C ATOM 0 H PHE A 89 4.229 9.546 -4.382 1.00 0.00 H new ATOM 0 HA PHE A 89 6.362 9.582 -6.407 1.00 0.00 H new ATOM 0 HB2 PHE A 89 4.759 10.027 -8.180 1.00 0.00 H new ATOM 0 HB3 PHE A 89 4.388 8.484 -7.439 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.574 8.517 -5.552 1.00 0.00 H new ATOM 0 HD2 PHE A 89 3.075 11.626 -8.421 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.273 9.269 -5.136 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.774 12.381 -8.007 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.634 11.201 -6.368 1.00 0.00 H new ATOM 1374 N ASN A 90 5.791 12.158 -6.824 1.00 0.00 N ATOM 1375 CA ASN A 90 5.841 13.609 -6.686 1.00 0.00 C ATOM 1376 C ASN A 90 6.180 14.272 -8.018 1.00 0.00 C ATOM 1377 O ASN A 90 6.565 13.601 -8.975 1.00 0.00 O ATOM 1378 CB ASN A 90 6.874 14.006 -5.629 1.00 0.00 C ATOM 1379 CG ASN A 90 8.261 14.186 -6.215 1.00 0.00 C ATOM 1380 OD1 ASN A 90 8.607 13.568 -7.221 1.00 0.00 O ATOM 1381 ND2 ASN A 90 9.063 15.037 -5.585 1.00 0.00 N ATOM 0 H ASN A 90 6.119 11.809 -7.724 1.00 0.00 H new ATOM 0 HA ASN A 90 4.856 13.953 -6.370 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.562 14.934 -5.150 1.00 0.00 H new ATOM 0 HB3 ASN A 90 6.907 13.242 -4.852 1.00 0.00 H new ATOM 0 HD21 ASN A 90 10.008 15.200 -5.932 1.00 0.00 H new ATOM 0 HD22 ASN A 90 8.734 15.528 -4.754 1.00 0.00 H new ATOM 1388 N GLU A 91 6.033 15.592 -8.070 1.00 0.00 N ATOM 1389 CA GLU A 91 6.324 16.345 -9.284 1.00 0.00 C ATOM 1390 C GLU A 91 7.525 15.754 -10.017 1.00 0.00 C ATOM 1391 O GLU A 91 7.547 15.689 -11.245 1.00 0.00 O ATOM 1392 CB GLU A 91 6.589 17.814 -8.949 1.00 0.00 C ATOM 1393 CG GLU A 91 7.726 18.017 -7.963 1.00 0.00 C ATOM 1394 CD GLU A 91 8.152 19.469 -7.854 1.00 0.00 C ATOM 1395 OE1 GLU A 91 8.899 19.936 -8.739 1.00 0.00 O ATOM 1396 OE2 GLU A 91 7.737 20.137 -6.884 1.00 0.00 O ATOM 0 H GLU A 91 5.714 16.162 -7.286 1.00 0.00 H new ATOM 0 HA GLU A 91 5.454 16.280 -9.938 1.00 0.00 H new ATOM 0 HB2 GLU A 91 6.816 18.352 -9.869 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.680 18.254 -8.538 1.00 0.00 H new ATOM 0 HG2 GLU A 91 7.419 17.658 -6.981 1.00 0.00 H new ATOM 0 HG3 GLU A 91 8.580 17.414 -8.270 1.00 0.00 H new ATOM 1403 N GLY A 92 8.524 15.323 -9.252 1.00 0.00 N ATOM 1404 CA GLY A 92 9.715 14.744 -9.845 1.00 0.00 C ATOM 1405 C GLY A 92 9.429 13.443 -10.568 1.00 0.00 C ATOM 1406 O GLY A 92 9.904 13.226 -11.681 1.00 0.00 O ATOM 0 H GLY A 92 8.529 15.365 -8.233 1.00 0.00 H new ATOM 0 HA2 GLY A 92 10.152 15.456 -10.545 1.00 0.00 H new ATOM 0 HA3 GLY A 92 10.456 14.568 -9.066 1.00 0.00 H new ATOM 1410 N GLY A 93 8.651 12.573 -9.931 1.00 0.00 N ATOM 1411 CA GLY A 93 8.317 11.296 -10.535 1.00 0.00 C ATOM 1412 C GLY A 93 7.951 10.245 -9.505 1.00 0.00 C ATOM 1413 O GLY A 93 7.748 10.561 -8.333 1.00 0.00 O ATOM 0 H GLY A 93 8.246 12.730 -9.008 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.483 11.431 -11.224 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.164 10.944 -11.124 1.00 0.00 H new ATOM 1417 N GLU A 94 7.866 8.993 -9.944 1.00 0.00 N ATOM 1418 CA GLU A 94 7.519 7.894 -9.051 1.00 0.00 C ATOM 1419 C GLU A 94 8.767 7.320 -8.385 1.00 0.00 C ATOM 1420 O GLU A 94 9.864 7.381 -8.940 1.00 0.00 O ATOM 1421 CB GLU A 94 6.787 6.793 -9.821 1.00 0.00 C ATOM 1422 CG GLU A 94 5.300 7.057 -9.993 1.00 0.00 C ATOM 1423 CD GLU A 94 4.626 6.033 -10.886 1.00 0.00 C ATOM 1424 OE1 GLU A 94 4.874 6.057 -12.109 1.00 0.00 O ATOM 1425 OE2 GLU A 94 3.850 5.208 -10.360 1.00 0.00 O ATOM 0 H GLU A 94 8.032 8.715 -10.911 1.00 0.00 H new ATOM 0 HA GLU A 94 6.860 8.284 -8.275 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.244 6.683 -10.804 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.921 5.845 -9.299 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.819 7.054 -9.015 1.00 0.00 H new ATOM 0 HG3 GLU A 94 5.158 8.052 -10.415 1.00 0.00 H new ATOM 1432 N SER A 95 8.590 6.762 -7.192 1.00 0.00 N ATOM 1433 CA SER A 95 9.701 6.181 -6.447 1.00 0.00 C ATOM 1434 C SER A 95 9.765 4.671 -6.657 1.00 0.00 C ATOM 1435 O SER A 95 9.006 4.112 -7.448 1.00 0.00 O ATOM 1436 CB SER A 95 9.564 6.495 -4.956 1.00 0.00 C ATOM 1437 OG SER A 95 8.790 5.508 -4.297 1.00 0.00 O ATOM 0 H SER A 95 7.688 6.700 -6.720 1.00 0.00 H new ATOM 0 HA SER A 95 10.626 6.622 -6.820 1.00 0.00 H new ATOM 0 HB2 SER A 95 10.553 6.551 -4.500 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.099 7.472 -4.828 1.00 0.00 H new ATOM 0 HG SER A 95 8.255 5.929 -3.592 1.00 0.00 H new ATOM 1443 N GLU A 96 10.677 4.019 -5.943 1.00 0.00 N ATOM 1444 CA GLU A 96 10.840 2.574 -6.051 1.00 0.00 C ATOM 1445 C GLU A 96 9.627 1.845 -5.482 1.00 0.00 C ATOM 1446 O GLU A 96 8.853 2.412 -4.710 1.00 0.00 O ATOM 1447 CB GLU A 96 12.108 2.126 -5.320 1.00 0.00 C ATOM 1448 CG GLU A 96 13.382 2.733 -5.882 1.00 0.00 C ATOM 1449 CD GLU A 96 13.737 2.182 -7.249 1.00 0.00 C ATOM 1450 OE1 GLU A 96 14.347 1.094 -7.311 1.00 0.00 O ATOM 1451 OE2 GLU A 96 13.405 2.839 -8.258 1.00 0.00 O ATOM 0 H GLU A 96 11.314 4.468 -5.284 1.00 0.00 H new ATOM 0 HA GLU A 96 10.930 2.322 -7.108 1.00 0.00 H new ATOM 0 HB2 GLU A 96 12.023 2.392 -4.266 1.00 0.00 H new ATOM 0 HB3 GLU A 96 12.181 1.040 -5.369 1.00 0.00 H new ATOM 0 HG2 GLU A 96 13.266 3.815 -5.949 1.00 0.00 H new ATOM 0 HG3 GLU A 96 14.205 2.543 -5.193 1.00 0.00 H new ATOM 1458 N PHE A 97 9.466 0.583 -5.869 1.00 0.00 N ATOM 1459 CA PHE A 97 8.347 -0.224 -5.399 1.00 0.00 C ATOM 1460 C PHE A 97 8.602 -0.738 -3.986 1.00 0.00 C ATOM 1461 O PHE A 97 9.521 -1.525 -3.756 1.00 0.00 O ATOM 1462 CB PHE A 97 8.106 -1.401 -6.347 1.00 0.00 C ATOM 1463 CG PHE A 97 7.265 -1.048 -7.540 1.00 0.00 C ATOM 1464 CD1 PHE A 97 7.342 0.212 -8.110 1.00 0.00 C ATOM 1465 CD2 PHE A 97 6.395 -1.977 -8.090 1.00 0.00 C ATOM 1466 CE1 PHE A 97 6.569 0.539 -9.208 1.00 0.00 C ATOM 1467 CE2 PHE A 97 5.620 -1.655 -9.188 1.00 0.00 C ATOM 1468 CZ PHE A 97 5.706 -0.395 -9.747 1.00 0.00 C ATOM 0 H PHE A 97 10.097 0.098 -6.507 1.00 0.00 H new ATOM 0 HA PHE A 97 7.459 0.407 -5.381 1.00 0.00 H new ATOM 0 HB2 PHE A 97 9.067 -1.783 -6.691 1.00 0.00 H new ATOM 0 HB3 PHE A 97 7.621 -2.207 -5.796 1.00 0.00 H new ATOM 0 HD1 PHE A 97 8.014 0.947 -7.692 1.00 0.00 H new ATOM 0 HD2 PHE A 97 6.322 -2.963 -7.656 1.00 0.00 H new ATOM 0 HE1 PHE A 97 6.640 1.524 -9.644 1.00 0.00 H new ATOM 0 HE2 PHE A 97 4.948 -2.388 -9.609 1.00 0.00 H new ATOM 0 HZ PHE A 97 5.100 -0.141 -10.604 1.00 0.00 H new ATOM 1478 N SER A 98 7.783 -0.287 -3.041 1.00 0.00 N ATOM 1479 CA SER A 98 7.922 -0.698 -1.649 1.00 0.00 C ATOM 1480 C SER A 98 7.980 -2.218 -1.533 1.00 0.00 C ATOM 1481 O SER A 98 7.645 -2.935 -2.475 1.00 0.00 O ATOM 1482 CB SER A 98 6.759 -0.155 -0.816 1.00 0.00 C ATOM 1483 OG SER A 98 6.894 -0.519 0.547 1.00 0.00 O ATOM 0 H SER A 98 7.016 0.363 -3.214 1.00 0.00 H new ATOM 0 HA SER A 98 8.856 -0.287 -1.267 1.00 0.00 H new ATOM 0 HB2 SER A 98 6.721 0.931 -0.904 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.817 -0.540 -1.207 1.00 0.00 H new ATOM 0 HG SER A 98 6.484 0.169 1.112 1.00 0.00 H new ATOM 1489 N ASN A 99 8.407 -2.701 -0.371 1.00 0.00 N ATOM 1490 CA ASN A 99 8.509 -4.136 -0.132 1.00 0.00 C ATOM 1491 C ASN A 99 7.145 -4.808 -0.259 1.00 0.00 C ATOM 1492 O ASN A 99 6.108 -4.145 -0.214 1.00 0.00 O ATOM 1493 CB ASN A 99 9.093 -4.402 1.257 1.00 0.00 C ATOM 1494 CG ASN A 99 8.022 -4.489 2.328 1.00 0.00 C ATOM 1495 OD1 ASN A 99 7.903 -5.498 3.022 1.00 0.00 O ATOM 1496 ND2 ASN A 99 7.236 -3.427 2.466 1.00 0.00 N ATOM 0 H ASN A 99 8.688 -2.120 0.419 1.00 0.00 H new ATOM 0 HA ASN A 99 9.173 -4.558 -0.886 1.00 0.00 H new ATOM 0 HB2 ASN A 99 9.660 -5.333 1.238 1.00 0.00 H new ATOM 0 HB3 ASN A 99 9.794 -3.607 1.512 1.00 0.00 H new ATOM 0 HD21 ASN A 99 6.498 -3.427 3.170 1.00 0.00 H new ATOM 0 HD22 ASN A 99 7.371 -2.612 1.868 1.00 0.00 H new ATOM 1503 N VAL A 100 7.154 -6.127 -0.418 1.00 0.00 N ATOM 1504 CA VAL A 100 5.918 -6.889 -0.551 1.00 0.00 C ATOM 1505 C VAL A 100 5.467 -7.444 0.796 1.00 0.00 C ATOM 1506 O VAL A 100 6.119 -8.318 1.368 1.00 0.00 O ATOM 1507 CB VAL A 100 6.080 -8.055 -1.545 1.00 0.00 C ATOM 1508 CG1 VAL A 100 4.758 -8.781 -1.738 1.00 0.00 C ATOM 1509 CG2 VAL A 100 6.619 -7.549 -2.874 1.00 0.00 C ATOM 0 H VAL A 100 8.003 -6.690 -0.458 1.00 0.00 H new ATOM 0 HA VAL A 100 5.162 -6.201 -0.930 1.00 0.00 H new ATOM 0 HB VAL A 100 6.798 -8.764 -1.133 1.00 0.00 H new ATOM 0 HG11 VAL A 100 4.893 -9.601 -2.443 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.418 -9.177 -0.781 1.00 0.00 H new ATOM 0 HG13 VAL A 100 4.015 -8.086 -2.128 1.00 0.00 H new ATOM 0 HG21 VAL A 100 6.728 -8.385 -3.565 1.00 0.00 H new ATOM 0 HG22 VAL A 100 5.926 -6.819 -3.293 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.590 -7.079 -2.718 1.00 0.00 H new ATOM 1519 N MET A 101 4.349 -6.930 1.297 1.00 0.00 N ATOM 1520 CA MET A 101 3.810 -7.376 2.577 1.00 0.00 C ATOM 1521 C MET A 101 2.591 -8.270 2.372 1.00 0.00 C ATOM 1522 O MET A 101 1.597 -7.853 1.775 1.00 0.00 O ATOM 1523 CB MET A 101 3.434 -6.173 3.443 1.00 0.00 C ATOM 1524 CG MET A 101 4.621 -5.300 3.818 1.00 0.00 C ATOM 1525 SD MET A 101 5.755 -6.121 4.954 1.00 0.00 S ATOM 1526 CE MET A 101 5.043 -5.664 6.533 1.00 0.00 C ATOM 0 H MET A 101 3.799 -6.205 0.837 1.00 0.00 H new ATOM 0 HA MET A 101 4.581 -7.954 3.086 1.00 0.00 H new ATOM 0 HB2 MET A 101 2.701 -5.567 2.910 1.00 0.00 H new ATOM 0 HB3 MET A 101 2.952 -6.528 4.354 1.00 0.00 H new ATOM 0 HG2 MET A 101 5.160 -5.018 2.913 1.00 0.00 H new ATOM 0 HG3 MET A 101 4.260 -4.378 4.274 1.00 0.00 H new ATOM 0 HE1 MET A 101 5.735 -5.016 7.070 1.00 0.00 H new ATOM 0 HE2 MET A 101 4.104 -5.135 6.369 1.00 0.00 H new ATOM 0 HE3 MET A 101 4.856 -6.562 7.121 1.00 0.00 H new ATOM 1536 N ILE A 102 2.674 -9.499 2.869 1.00 0.00 N ATOM 1537 CA ILE A 102 1.577 -10.451 2.740 1.00 0.00 C ATOM 1538 C ILE A 102 0.614 -10.341 3.917 1.00 0.00 C ATOM 1539 O ILE A 102 0.880 -10.862 5.001 1.00 0.00 O ATOM 1540 CB ILE A 102 2.095 -11.898 2.648 1.00 0.00 C ATOM 1541 CG1 ILE A 102 2.977 -12.069 1.409 1.00 0.00 C ATOM 1542 CG2 ILE A 102 0.930 -12.876 2.615 1.00 0.00 C ATOM 1543 CD1 ILE A 102 3.815 -13.328 1.434 1.00 0.00 C ATOM 0 H ILE A 102 3.489 -9.859 3.365 1.00 0.00 H new ATOM 0 HA ILE A 102 1.051 -10.204 1.818 1.00 0.00 H new ATOM 0 HB ILE A 102 2.697 -12.110 3.531 1.00 0.00 H new ATOM 0 HG12 ILE A 102 2.345 -12.081 0.521 1.00 0.00 H new ATOM 0 HG13 ILE A 102 3.636 -11.205 1.320 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.312 -13.895 2.550 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.338 -12.768 3.524 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.304 -12.667 1.747 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.415 -13.384 0.526 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.473 -13.310 2.303 1.00 0.00 H new ATOM 0 HD13 ILE A 102 3.162 -14.199 1.492 1.00 0.00 H new ATOM 1555 N CYS A 103 -0.507 -9.663 3.696 1.00 0.00 N ATOM 1556 CA CYS A 103 -1.512 -9.486 4.739 1.00 0.00 C ATOM 1557 C CYS A 103 -2.760 -10.308 4.436 1.00 0.00 C ATOM 1558 O CYS A 103 -3.518 -9.988 3.522 1.00 0.00 O ATOM 1559 CB CYS A 103 -1.881 -8.008 4.874 1.00 0.00 C ATOM 1560 SG CYS A 103 -2.777 -7.607 6.393 1.00 0.00 S ATOM 0 H CYS A 103 -0.743 -9.227 2.805 1.00 0.00 H new ATOM 0 HA CYS A 103 -1.089 -9.835 5.681 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -0.969 -7.412 4.834 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -2.490 -7.717 4.018 1.00 0.00 H new ATOM 0 HG CYS A 103 -4.008 -7.307 6.104 1.00 0.00 H new ATOM 1566 N GLU A 104 -2.964 -11.370 5.209 1.00 0.00 N ATOM 1567 CA GLU A 104 -4.119 -12.240 5.021 1.00 0.00 C ATOM 1568 C GLU A 104 -5.371 -11.623 5.639 1.00 0.00 C ATOM 1569 O GLU A 104 -5.370 -11.223 6.804 1.00 0.00 O ATOM 1570 CB GLU A 104 -3.856 -13.615 5.640 1.00 0.00 C ATOM 1571 CG GLU A 104 -4.677 -14.730 5.015 1.00 0.00 C ATOM 1572 CD GLU A 104 -4.980 -15.850 5.992 1.00 0.00 C ATOM 1573 OE1 GLU A 104 -5.815 -15.639 6.897 1.00 0.00 O ATOM 1574 OE2 GLU A 104 -4.381 -16.937 5.852 1.00 0.00 O ATOM 0 H GLU A 104 -2.345 -11.648 5.971 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.283 -12.357 3.950 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -2.797 -13.854 5.538 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.072 -13.571 6.708 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.613 -14.319 4.638 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.139 -15.136 4.158 1.00 0.00 H new ATOM 1581 N THR A 105 -6.438 -11.550 4.850 1.00 0.00 N ATOM 1582 CA THR A 105 -7.696 -10.981 5.317 1.00 0.00 C ATOM 1583 C THR A 105 -8.370 -11.896 6.334 1.00 0.00 C ATOM 1584 O THR A 105 -7.853 -12.964 6.661 1.00 0.00 O ATOM 1585 CB THR A 105 -8.667 -10.728 4.148 1.00 0.00 C ATOM 1586 OG1 THR A 105 -8.701 -11.870 3.285 1.00 0.00 O ATOM 1587 CG2 THR A 105 -8.251 -9.498 3.356 1.00 0.00 C ATOM 0 H THR A 105 -6.456 -11.878 3.884 1.00 0.00 H new ATOM 0 HA THR A 105 -7.455 -10.030 5.792 1.00 0.00 H new ATOM 0 HB THR A 105 -9.661 -10.555 4.560 1.00 0.00 H new ATOM 0 HG1 THR A 105 -9.419 -11.761 2.627 1.00 0.00 H new ATOM 0 HG21 THR A 105 -8.951 -9.339 2.536 1.00 0.00 H new ATOM 0 HG22 THR A 105 -8.254 -8.626 4.010 1.00 0.00 H new ATOM 0 HG23 THR A 105 -7.249 -9.646 2.954 1.00 0.00 H new ATOM 1595 N LYS A 106 -9.526 -11.470 6.831 1.00 0.00 N ATOM 1596 CA LYS A 106 -10.273 -12.252 7.809 1.00 0.00 C ATOM 1597 C LYS A 106 -11.193 -13.254 7.118 1.00 0.00 C ATOM 1598 O LYS A 106 -11.625 -13.036 5.987 1.00 0.00 O ATOM 1599 CB LYS A 106 -11.094 -11.328 8.712 1.00 0.00 C ATOM 1600 CG LYS A 106 -10.261 -10.276 9.424 1.00 0.00 C ATOM 1601 CD LYS A 106 -9.753 -10.781 10.764 1.00 0.00 C ATOM 1602 CE LYS A 106 -8.434 -10.125 11.143 1.00 0.00 C ATOM 1603 NZ LYS A 106 -7.660 -10.953 12.109 1.00 0.00 N ATOM 0 H LYS A 106 -9.966 -10.587 6.572 1.00 0.00 H new ATOM 0 HA LYS A 106 -9.557 -12.804 8.418 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.856 -10.831 8.112 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.616 -11.930 9.455 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -9.416 -9.994 8.796 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.860 -9.378 9.576 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -10.496 -10.579 11.536 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.624 -11.862 10.721 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -7.838 -9.962 10.245 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -8.628 -9.145 11.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.768 -10.472 12.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -8.218 -11.087 12.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -7.453 -11.879 11.684 1.00 0.00 H new ATOM 1617 N ALA A 107 -11.489 -14.351 7.807 1.00 0.00 N ATOM 1618 CA ALA A 107 -12.360 -15.384 7.260 1.00 0.00 C ATOM 1619 C ALA A 107 -13.823 -14.957 7.321 1.00 0.00 C ATOM 1620 O ALA A 107 -14.295 -14.468 8.347 1.00 0.00 O ATOM 1621 CB ALA A 107 -12.159 -16.694 8.009 1.00 0.00 C ATOM 0 H ALA A 107 -11.139 -14.547 8.745 1.00 0.00 H new ATOM 0 HA ALA A 107 -12.095 -15.532 6.213 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -12.815 -17.457 7.590 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -11.122 -17.014 7.910 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -12.396 -16.550 9.063 1.00 0.00 H new ATOM 1627 N ARG A 108 -14.535 -15.143 6.214 1.00 0.00 N ATOM 1628 CA ARG A 108 -15.943 -14.775 6.141 1.00 0.00 C ATOM 1629 C ARG A 108 -16.808 -15.782 6.893 1.00 0.00 C ATOM 1630 O ARG A 108 -17.427 -16.658 6.289 1.00 0.00 O ATOM 1631 CB ARG A 108 -16.395 -14.689 4.682 1.00 0.00 C ATOM 1632 CG ARG A 108 -15.981 -15.887 3.844 1.00 0.00 C ATOM 1633 CD ARG A 108 -16.975 -16.155 2.725 1.00 0.00 C ATOM 1634 NE ARG A 108 -16.391 -16.960 1.655 1.00 0.00 N ATOM 1635 CZ ARG A 108 -17.098 -17.482 0.659 1.00 0.00 C ATOM 1636 NH1 ARG A 108 -18.407 -17.285 0.596 1.00 0.00 N ATOM 1637 NH2 ARG A 108 -16.494 -18.203 -0.277 1.00 0.00 N ATOM 0 H ARG A 108 -14.159 -15.546 5.356 1.00 0.00 H new ATOM 0 HA ARG A 108 -16.062 -13.798 6.610 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -17.480 -14.593 4.652 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -15.983 -13.784 4.236 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -14.993 -15.711 3.420 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -15.902 -16.768 4.481 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -17.847 -16.668 3.130 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -17.325 -15.207 2.316 1.00 0.00 H new ATOM 0 HE ARG A 108 -15.386 -17.131 1.674 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -18.875 -16.731 1.314 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -18.947 -17.687 -0.170 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -15.487 -18.356 -0.232 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -17.037 -18.604 -1.042 1.00 0.00 H new ATOM 1651 N SER A 109 -16.845 -15.651 8.215 1.00 0.00 N ATOM 1652 CA SER A 109 -17.631 -16.552 9.051 1.00 0.00 C ATOM 1653 C SER A 109 -18.701 -15.785 9.821 1.00 0.00 C ATOM 1654 O SER A 109 -18.455 -14.689 10.323 1.00 0.00 O ATOM 1655 CB SER A 109 -16.720 -17.299 10.028 1.00 0.00 C ATOM 1656 OG SER A 109 -17.450 -18.261 10.771 1.00 0.00 O ATOM 0 H SER A 109 -16.340 -14.930 8.731 1.00 0.00 H new ATOM 0 HA SER A 109 -18.125 -17.274 8.400 1.00 0.00 H new ATOM 0 HB2 SER A 109 -15.918 -17.791 9.478 1.00 0.00 H new ATOM 0 HB3 SER A 109 -16.251 -16.589 10.709 1.00 0.00 H new ATOM 0 HG SER A 109 -16.846 -18.726 11.387 1.00 0.00 H new ATOM 1662 N GLY A 110 -19.892 -16.370 9.910 1.00 0.00 N ATOM 1663 CA GLY A 110 -20.982 -15.728 10.620 1.00 0.00 C ATOM 1664 C GLY A 110 -21.471 -14.474 9.921 1.00 0.00 C ATOM 1665 O GLY A 110 -20.753 -13.858 9.133 1.00 0.00 O ATOM 0 H GLY A 110 -20.121 -17.277 9.503 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -21.810 -16.430 10.721 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -20.655 -15.474 11.628 1.00 0.00 H new ATOM 1669 N PRO A 111 -22.720 -14.080 10.209 1.00 0.00 N ATOM 1670 CA PRO A 111 -23.332 -12.889 9.612 1.00 0.00 C ATOM 1671 C PRO A 111 -22.702 -11.597 10.121 1.00 0.00 C ATOM 1672 O PRO A 111 -22.572 -11.393 11.328 1.00 0.00 O ATOM 1673 CB PRO A 111 -24.794 -12.982 10.054 1.00 0.00 C ATOM 1674 CG PRO A 111 -24.761 -13.788 11.307 1.00 0.00 C ATOM 1675 CD PRO A 111 -23.632 -14.767 11.139 1.00 0.00 C ATOM 0 HA PRO A 111 -23.201 -12.862 8.530 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -25.218 -11.993 10.230 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -25.408 -13.461 9.291 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -24.599 -13.151 12.177 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -25.707 -14.306 11.463 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -23.146 -14.987 12.090 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -23.981 -15.716 10.732 1.00 0.00 H new ATOM 1683 N SER A 112 -22.314 -10.728 9.194 1.00 0.00 N ATOM 1684 CA SER A 112 -21.695 -9.456 9.550 1.00 0.00 C ATOM 1685 C SER A 112 -22.671 -8.574 10.323 1.00 0.00 C ATOM 1686 O SER A 112 -23.680 -8.124 9.781 1.00 0.00 O ATOM 1687 CB SER A 112 -21.218 -8.728 8.292 1.00 0.00 C ATOM 1688 OG SER A 112 -22.299 -8.460 7.416 1.00 0.00 O ATOM 0 H SER A 112 -22.417 -10.881 8.191 1.00 0.00 H new ATOM 0 HA SER A 112 -20.837 -9.664 10.189 1.00 0.00 H new ATOM 0 HB2 SER A 112 -20.732 -7.793 8.571 1.00 0.00 H new ATOM 0 HB3 SER A 112 -20.472 -9.334 7.779 1.00 0.00 H new ATOM 0 HG SER A 112 -23.126 -8.375 7.934 1.00 0.00 H new ATOM 1694 N SER A 113 -22.361 -8.332 11.593 1.00 0.00 N ATOM 1695 CA SER A 113 -23.212 -7.507 12.443 1.00 0.00 C ATOM 1696 C SER A 113 -22.386 -6.796 13.510 1.00 0.00 C ATOM 1697 O SER A 113 -21.885 -7.422 14.443 1.00 0.00 O ATOM 1698 CB SER A 113 -24.292 -8.365 13.104 1.00 0.00 C ATOM 1699 OG SER A 113 -25.112 -7.584 13.956 1.00 0.00 O ATOM 0 H SER A 113 -21.528 -8.695 12.056 1.00 0.00 H new ATOM 0 HA SER A 113 -23.690 -6.754 11.817 1.00 0.00 H new ATOM 0 HB2 SER A 113 -24.905 -8.838 12.337 1.00 0.00 H new ATOM 0 HB3 SER A 113 -23.825 -9.166 13.677 1.00 0.00 H new ATOM 0 HG SER A 113 -25.795 -8.155 14.365 1.00 0.00 H new ATOM 1705 N GLY A 114 -22.249 -5.481 13.366 1.00 0.00 N ATOM 1706 CA GLY A 114 -21.484 -4.705 14.324 1.00 0.00 C ATOM 1707 C GLY A 114 -21.875 -3.241 14.329 1.00 0.00 C ATOM 1708 O GLY A 114 -22.798 -2.841 15.039 1.00 0.00 O ATOM 0 H GLY A 114 -22.654 -4.940 12.603 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -21.629 -5.120 15.321 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -20.422 -4.793 14.093 1.00 0.00 H new TER 1712 GLY A 114