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 59 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 85 LYS NZ :NH3+ -109:sc= 0.487 (180deg=0) USER MOD Set 2.1: A 31 TYR OH : rot 122:sc= -0.86 USER MOD Set 2.2: A 36 ASN : amide:sc= -2.56! C(o=-3.4!,f=-9.3!) USER MOD Set 3.1: A 26 MET CE :methyl 169:sc= -8.46! (180deg=-9.42!) USER MOD Set 3.2: A 28 LYS NZ :NH3+ -176:sc= -0.326 (180deg=-0.381) USER MOD Set 4.1: A 17 THR OG1 : rot 150:sc= 0 USER MOD Set 4.2: A 101 MET CE :methyl -121:sc= -0.0146 (180deg=-0.0268) USER MOD Single : A 1 GLY N :NH3+ 139:sc= 0.00364 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 27:sc= 0.326 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= -1.35 K(o=-1.4,f=-4.1!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 165:sc= 0 (180deg=-0.114) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.128 K(o=-0.13,f=-1.4!) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.318 USER MOD Single : A 42 HIS : no HD1:sc= -2.76 K(o=-2.8,f=-1.5) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 165:sc= -2.4 USER MOD Single : A 48 TYR OH : rot 18:sc= 1.02 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -0.138 USER MOD Single : A 55 ASN : amide:sc= -0.991! C(o=-0.99!,f=-1.5!) USER MOD Single : A 57 SER OG : rot -29:sc= 0.0536 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 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 130:sc= -1.28 USER MOD Single : A 71 HIS : no HD1:sc= 0.00868 X(o=0.0087,f=-0.28) USER MOD Single : A 72 SER OG : rot 60:sc= 0.829 USER MOD Single : A 74 SER OG : rot 180:sc= -0.0429 USER MOD Single : A 75 HIS : no HD1:sc= -0.0597 X(o=-0.06,f=0) USER MOD Single : A 77 GLN : amide:sc= -1.26! C(o=-1.3!,f=-6.4!) USER MOD Single : A 80 THR OG1 : rot 57:sc= -0.24 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 178:sc= -5.62! USER MOD Single : A 86 MET CE :methyl -147:sc= -0.792 (180deg=-3.07!) USER MOD Single : A 87 GLN : amide:sc= -4.98! C(o=-5!,f=-3.8!) USER MOD Single : A 88 CYS SG : rot 60:sc= -3.05 USER MOD Single : A 90 ASN : amide:sc= -6.35! C(o=-6.3!,f=-16!) USER MOD Single : A 95 SER OG : rot 130:sc= 0.032 USER MOD Single : A 98 SER OG : rot 110:sc= 0.434 USER MOD Single : A 99 ASN : amide:sc= 0.14 K(o=0.14,f=-8.9!) USER MOD Single : A 103 CYS SG : rot -100:sc= -1.43 USER MOD Single : A 105 THR OG1 : rot -172:sc= 2.18 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 180:sc= 0 USER MOD Single : A 113 SER OG : rot 77:sc= 0.0579 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.470 1.476 -14.043 1.00 0.00 N ATOM 2 CA GLY A 1 25.262 2.765 -14.677 1.00 0.00 C ATOM 3 C GLY A 1 25.211 3.902 -13.676 1.00 0.00 C ATOM 4 O GLY A 1 24.602 3.776 -12.613 1.00 0.00 O ATOM 0 H1 GLY A 1 24.866 0.763 -14.500 1.00 0.00 H new ATOM 0 H2 GLY A 1 26.468 1.199 -14.140 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.225 1.542 -13.034 1.00 0.00 H new ATOM 0 HA2 GLY A 1 26.065 2.949 -15.391 1.00 0.00 H new ATOM 0 HA3 GLY A 1 24.331 2.742 -15.244 1.00 0.00 H new ATOM 8 N SER A 2 25.853 5.016 -14.014 1.00 0.00 N ATOM 9 CA SER A 2 25.883 6.178 -13.133 1.00 0.00 C ATOM 10 C SER A 2 25.129 7.349 -13.756 1.00 0.00 C ATOM 11 O SER A 2 25.619 7.996 -14.681 1.00 0.00 O ATOM 12 CB SER A 2 27.328 6.585 -12.840 1.00 0.00 C ATOM 13 OG SER A 2 28.035 5.533 -12.207 1.00 0.00 O ATOM 0 H SER A 2 26.359 5.138 -14.891 1.00 0.00 H new ATOM 0 HA SER A 2 25.393 5.908 -12.198 1.00 0.00 H new ATOM 0 HB2 SER A 2 27.828 6.856 -13.770 1.00 0.00 H new ATOM 0 HB3 SER A 2 27.338 7.469 -12.203 1.00 0.00 H new ATOM 0 HG SER A 2 28.956 5.817 -12.032 1.00 0.00 H new ATOM 19 N SER A 3 23.933 7.617 -13.240 1.00 0.00 N ATOM 20 CA SER A 3 23.109 8.707 -13.746 1.00 0.00 C ATOM 21 C SER A 3 22.189 9.245 -12.654 1.00 0.00 C ATOM 22 O SER A 3 21.591 8.480 -11.898 1.00 0.00 O ATOM 23 CB SER A 3 22.278 8.235 -14.941 1.00 0.00 C ATOM 24 OG SER A 3 23.025 8.312 -16.143 1.00 0.00 O ATOM 0 H SER A 3 23.514 7.093 -12.472 1.00 0.00 H new ATOM 0 HA SER A 3 23.772 9.510 -14.068 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.951 7.208 -14.778 1.00 0.00 H new ATOM 0 HB3 SER A 3 21.380 8.846 -15.028 1.00 0.00 H new ATOM 0 HG SER A 3 23.980 8.232 -15.940 1.00 0.00 H new ATOM 30 N GLY A 4 22.081 10.568 -12.578 1.00 0.00 N ATOM 31 CA GLY A 4 21.233 11.187 -11.576 1.00 0.00 C ATOM 32 C GLY A 4 19.758 10.979 -11.856 1.00 0.00 C ATOM 33 O GLY A 4 19.375 10.613 -12.968 1.00 0.00 O ATOM 0 H GLY A 4 22.566 11.222 -13.192 1.00 0.00 H new ATOM 0 HA2 GLY A 4 21.475 10.776 -10.596 1.00 0.00 H new ATOM 0 HA3 GLY A 4 21.445 12.255 -11.535 1.00 0.00 H new ATOM 37 N SER A 5 18.926 11.210 -10.845 1.00 0.00 N ATOM 38 CA SER A 5 17.485 11.040 -10.986 1.00 0.00 C ATOM 39 C SER A 5 16.733 12.128 -10.227 1.00 0.00 C ATOM 40 O SER A 5 17.170 12.578 -9.168 1.00 0.00 O ATOM 41 CB SER A 5 17.061 9.661 -10.477 1.00 0.00 C ATOM 42 OG SER A 5 15.919 9.190 -11.171 1.00 0.00 O ATOM 0 H SER A 5 19.226 11.515 -9.919 1.00 0.00 H new ATOM 0 HA SER A 5 17.236 11.121 -12.044 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.883 8.956 -10.601 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.846 9.714 -9.410 1.00 0.00 H new ATOM 0 HG SER A 5 15.669 8.306 -10.828 1.00 0.00 H new ATOM 48 N SER A 6 15.598 12.548 -10.778 1.00 0.00 N ATOM 49 CA SER A 6 14.785 13.587 -10.156 1.00 0.00 C ATOM 50 C SER A 6 13.621 12.976 -9.382 1.00 0.00 C ATOM 51 O SER A 6 13.066 11.953 -9.780 1.00 0.00 O ATOM 52 CB SER A 6 14.256 14.554 -11.217 1.00 0.00 C ATOM 53 OG SER A 6 15.319 15.137 -11.952 1.00 0.00 O ATOM 0 H SER A 6 15.221 12.185 -11.653 1.00 0.00 H new ATOM 0 HA SER A 6 15.415 14.136 -9.456 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.588 14.024 -11.896 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.668 15.337 -10.739 1.00 0.00 H new ATOM 0 HG SER A 6 14.954 15.749 -12.625 1.00 0.00 H new ATOM 59 N GLY A 7 13.257 13.613 -8.273 1.00 0.00 N ATOM 60 CA GLY A 7 12.161 13.118 -7.460 1.00 0.00 C ATOM 61 C GLY A 7 12.624 12.148 -6.392 1.00 0.00 C ATOM 62 O GLY A 7 13.794 11.772 -6.330 1.00 0.00 O ATOM 0 H GLY A 7 13.701 14.462 -7.923 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.654 13.959 -6.987 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.430 12.626 -8.102 1.00 0.00 H new ATOM 66 N PRO A 8 11.691 11.727 -5.525 1.00 0.00 N ATOM 67 CA PRO A 8 11.986 10.790 -4.437 1.00 0.00 C ATOM 68 C PRO A 8 12.285 9.385 -4.948 1.00 0.00 C ATOM 69 O PRO A 8 11.653 8.909 -5.891 1.00 0.00 O ATOM 70 CB PRO A 8 10.700 10.795 -3.606 1.00 0.00 C ATOM 71 CG PRO A 8 9.631 11.188 -4.565 1.00 0.00 C ATOM 72 CD PRO A 8 10.275 12.134 -5.540 1.00 0.00 C ATOM 0 HA PRO A 8 12.873 11.083 -3.876 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.504 9.813 -3.175 1.00 0.00 H new ATOM 0 HB3 PRO A 8 10.767 11.500 -2.777 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.227 10.315 -5.078 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.800 11.667 -4.048 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.841 12.042 -6.536 1.00 0.00 H new ATOM 0 HD3 PRO A 8 10.152 13.173 -5.233 1.00 0.00 H new ATOM 80 N VAL A 9 13.252 8.724 -4.319 1.00 0.00 N ATOM 81 CA VAL A 9 13.634 7.372 -4.709 1.00 0.00 C ATOM 82 C VAL A 9 13.626 6.432 -3.509 1.00 0.00 C ATOM 83 O VAL A 9 13.368 5.236 -3.647 1.00 0.00 O ATOM 84 CB VAL A 9 15.031 7.349 -5.357 1.00 0.00 C ATOM 85 CG1 VAL A 9 14.948 7.760 -6.820 1.00 0.00 C ATOM 86 CG2 VAL A 9 15.987 8.252 -4.595 1.00 0.00 C ATOM 0 H VAL A 9 13.785 9.103 -3.537 1.00 0.00 H new ATOM 0 HA VAL A 9 12.898 7.032 -5.438 1.00 0.00 H new ATOM 0 HB VAL A 9 15.416 6.330 -5.312 1.00 0.00 H new ATOM 0 HG11 VAL A 9 15.944 7.738 -7.261 1.00 0.00 H new ATOM 0 HG12 VAL A 9 14.298 7.068 -7.356 1.00 0.00 H new ATOM 0 HG13 VAL A 9 14.542 8.769 -6.892 1.00 0.00 H new ATOM 0 HG21 VAL A 9 16.969 8.223 -5.067 1.00 0.00 H new ATOM 0 HG22 VAL A 9 15.609 9.274 -4.606 1.00 0.00 H new ATOM 0 HG23 VAL A 9 16.070 7.907 -3.564 1.00 0.00 H new ATOM 96 N ALA A 10 13.912 6.980 -2.333 1.00 0.00 N ATOM 97 CA ALA A 10 13.935 6.190 -1.108 1.00 0.00 C ATOM 98 C ALA A 10 12.664 5.360 -0.965 1.00 0.00 C ATOM 99 O ALA A 10 12.698 4.235 -0.467 1.00 0.00 O ATOM 100 CB ALA A 10 14.114 7.096 0.101 1.00 0.00 C ATOM 0 H ALA A 10 14.131 7.968 -2.202 1.00 0.00 H new ATOM 0 HA ALA A 10 14.781 5.505 -1.164 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.129 6.493 1.009 1.00 0.00 H new ATOM 0 HB2 ALA A 10 15.054 7.641 0.011 1.00 0.00 H new ATOM 0 HB3 ALA A 10 13.287 7.805 0.150 1.00 0.00 H new ATOM 106 N GLY A 11 11.543 5.923 -1.405 1.00 0.00 N ATOM 107 CA GLY A 11 10.276 5.220 -1.316 1.00 0.00 C ATOM 108 C GLY A 11 9.908 4.866 0.111 1.00 0.00 C ATOM 109 O GLY A 11 10.770 4.615 0.953 1.00 0.00 O ATOM 0 H GLY A 11 11.489 6.853 -1.821 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.490 5.839 -1.748 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.327 4.308 -1.911 1.00 0.00 H new ATOM 113 N PRO A 12 8.598 4.845 0.401 1.00 0.00 N ATOM 114 CA PRO A 12 8.088 4.522 1.736 1.00 0.00 C ATOM 115 C PRO A 12 8.291 3.054 2.095 1.00 0.00 C ATOM 116 O PRO A 12 8.424 2.202 1.216 1.00 0.00 O ATOM 117 CB PRO A 12 6.595 4.845 1.634 1.00 0.00 C ATOM 118 CG PRO A 12 6.276 4.707 0.185 1.00 0.00 C ATOM 119 CD PRO A 12 7.515 5.134 -0.554 1.00 0.00 C ATOM 0 HA PRO A 12 8.607 5.080 2.516 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.000 4.160 2.238 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.382 5.852 1.992 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.010 3.679 -0.060 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.424 5.330 -0.088 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.640 4.579 -1.484 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.482 6.191 -0.816 1.00 0.00 H new ATOM 127 N TYR A 13 8.315 2.765 3.392 1.00 0.00 N ATOM 128 CA TYR A 13 8.504 1.399 3.867 1.00 0.00 C ATOM 129 C TYR A 13 7.318 0.948 4.713 1.00 0.00 C ATOM 130 O TYR A 13 6.908 1.640 5.646 1.00 0.00 O ATOM 131 CB TYR A 13 9.795 1.294 4.680 1.00 0.00 C ATOM 132 CG TYR A 13 9.835 0.095 5.601 1.00 0.00 C ATOM 133 CD1 TYR A 13 9.554 -1.180 5.125 1.00 0.00 C ATOM 134 CD2 TYR A 13 10.152 0.238 6.946 1.00 0.00 C ATOM 135 CE1 TYR A 13 9.589 -2.278 5.963 1.00 0.00 C ATOM 136 CE2 TYR A 13 10.190 -0.855 7.790 1.00 0.00 C ATOM 137 CZ TYR A 13 9.908 -2.110 7.294 1.00 0.00 C ATOM 138 OH TYR A 13 9.944 -3.201 8.132 1.00 0.00 O ATOM 0 H TYR A 13 8.206 3.458 4.133 1.00 0.00 H new ATOM 0 HA TYR A 13 8.576 0.745 2.998 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.642 1.245 3.996 1.00 0.00 H new ATOM 0 HB3 TYR A 13 9.916 2.201 5.272 1.00 0.00 H new ATOM 0 HD1 TYR A 13 9.304 -1.315 4.083 1.00 0.00 H new ATOM 0 HD2 TYR A 13 10.372 1.220 7.338 1.00 0.00 H new ATOM 0 HE1 TYR A 13 9.368 -3.262 5.578 1.00 0.00 H new ATOM 0 HE2 TYR A 13 10.439 -0.727 8.833 1.00 0.00 H new ATOM 0 HH TYR A 13 10.186 -2.911 9.036 1.00 0.00 H new ATOM 148 N ILE A 14 6.773 -0.218 4.382 1.00 0.00 N ATOM 149 CA ILE A 14 5.635 -0.764 5.112 1.00 0.00 C ATOM 150 C ILE A 14 6.090 -1.494 6.372 1.00 0.00 C ATOM 151 O ILE A 14 6.734 -2.541 6.298 1.00 0.00 O ATOM 152 CB ILE A 14 4.817 -1.732 4.238 1.00 0.00 C ATOM 153 CG1 ILE A 14 4.442 -1.065 2.913 1.00 0.00 C ATOM 154 CG2 ILE A 14 3.569 -2.189 4.979 1.00 0.00 C ATOM 155 CD1 ILE A 14 3.948 -2.038 1.866 1.00 0.00 C ATOM 0 H ILE A 14 7.101 -0.803 3.613 1.00 0.00 H new ATOM 0 HA ILE A 14 5.004 0.080 5.391 1.00 0.00 H new ATOM 0 HB ILE A 14 5.429 -2.608 4.022 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.669 -0.319 3.097 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.311 -0.535 2.524 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.001 -2.873 4.348 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.858 -2.699 5.898 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.953 -1.323 5.222 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.701 -1.496 0.953 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.727 -2.770 1.653 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.060 -2.550 2.236 1.00 0.00 H new ATOM 167 N THR A 15 5.748 -0.935 7.529 1.00 0.00 N ATOM 168 CA THR A 15 6.120 -1.533 8.805 1.00 0.00 C ATOM 169 C THR A 15 4.886 -1.960 9.592 1.00 0.00 C ATOM 170 O THR A 15 4.984 -2.345 10.758 1.00 0.00 O ATOM 171 CB THR A 15 6.949 -0.557 9.662 1.00 0.00 C ATOM 172 OG1 THR A 15 6.082 0.229 10.486 1.00 0.00 O ATOM 173 CG2 THR A 15 7.788 0.357 8.782 1.00 0.00 C ATOM 0 H THR A 15 5.214 -0.069 7.608 1.00 0.00 H new ATOM 0 HA THR A 15 6.725 -2.411 8.579 1.00 0.00 H new ATOM 0 HB THR A 15 7.618 -1.141 10.294 1.00 0.00 H new ATOM 0 HG1 THR A 15 6.617 0.845 11.029 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.364 1.037 9.409 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.468 -0.243 8.178 1.00 0.00 H new ATOM 0 HG23 THR A 15 7.134 0.933 8.128 1.00 0.00 H new ATOM 181 N PHE A 16 3.726 -1.889 8.949 1.00 0.00 N ATOM 182 CA PHE A 16 2.472 -2.269 9.590 1.00 0.00 C ATOM 183 C PHE A 16 1.516 -2.900 8.582 1.00 0.00 C ATOM 184 O PHE A 16 1.161 -2.285 7.575 1.00 0.00 O ATOM 185 CB PHE A 16 1.816 -1.048 10.238 1.00 0.00 C ATOM 186 CG PHE A 16 0.904 -1.393 11.380 1.00 0.00 C ATOM 187 CD1 PHE A 16 -0.084 -2.353 11.229 1.00 0.00 C ATOM 188 CD2 PHE A 16 1.034 -0.758 12.604 1.00 0.00 C ATOM 189 CE1 PHE A 16 -0.925 -2.672 12.278 1.00 0.00 C ATOM 190 CE2 PHE A 16 0.196 -1.073 13.657 1.00 0.00 C ATOM 191 CZ PHE A 16 -0.784 -2.032 13.494 1.00 0.00 C ATOM 0 H PHE A 16 3.628 -1.572 7.985 1.00 0.00 H new ATOM 0 HA PHE A 16 2.695 -3.005 10.362 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.595 -0.374 10.596 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.249 -0.506 9.481 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.198 -2.857 10.281 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.799 -0.008 12.737 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.692 -3.421 12.147 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.308 -0.570 14.606 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.439 -2.281 14.316 1.00 0.00 H new ATOM 201 N THR A 17 1.101 -4.132 8.860 1.00 0.00 N ATOM 202 CA THR A 17 0.187 -4.848 7.978 1.00 0.00 C ATOM 203 C THR A 17 -0.780 -5.714 8.776 1.00 0.00 C ATOM 204 O THR A 17 -0.383 -6.711 9.381 1.00 0.00 O ATOM 205 CB THR A 17 0.952 -5.738 6.980 1.00 0.00 C ATOM 206 OG1 THR A 17 2.104 -6.306 7.613 1.00 0.00 O ATOM 207 CG2 THR A 17 1.380 -4.937 5.759 1.00 0.00 C ATOM 0 H THR A 17 1.383 -4.655 9.689 1.00 0.00 H new ATOM 0 HA THR A 17 -0.375 -4.095 7.425 1.00 0.00 H new ATOM 0 HB THR A 17 0.286 -6.537 6.655 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.303 -7.177 7.210 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.918 -5.586 5.068 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.498 -4.531 5.263 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.030 -4.119 6.070 1.00 0.00 H new ATOM 215 N ASP A 18 -2.052 -5.329 8.774 1.00 0.00 N ATOM 216 CA ASP A 18 -3.077 -6.072 9.496 1.00 0.00 C ATOM 217 C ASP A 18 -4.407 -6.029 8.750 1.00 0.00 C ATOM 218 O ASP A 18 -4.673 -5.100 7.988 1.00 0.00 O ATOM 219 CB ASP A 18 -3.251 -5.504 10.906 1.00 0.00 C ATOM 220 CG ASP A 18 -4.132 -4.270 10.928 1.00 0.00 C ATOM 221 OD1 ASP A 18 -5.367 -4.422 10.833 1.00 0.00 O ATOM 222 OD2 ASP A 18 -3.585 -3.153 11.040 1.00 0.00 O ATOM 0 H ASP A 18 -2.397 -4.506 8.280 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.755 -7.111 9.568 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.684 -6.268 11.551 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.273 -5.256 11.318 1.00 0.00 H new ATOM 227 N ALA A 19 -5.238 -7.042 8.973 1.00 0.00 N ATOM 228 CA ALA A 19 -6.540 -7.120 8.322 1.00 0.00 C ATOM 229 C ALA A 19 -7.642 -6.593 9.235 1.00 0.00 C ATOM 230 O ALA A 19 -8.012 -7.238 10.216 1.00 0.00 O ATOM 231 CB ALA A 19 -6.837 -8.553 7.906 1.00 0.00 C ATOM 0 H ALA A 19 -5.033 -7.820 9.600 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.512 -6.493 7.431 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.812 -8.596 7.421 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.071 -8.896 7.211 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.841 -9.194 8.787 1.00 0.00 H new ATOM 237 N VAL A 20 -8.163 -5.414 8.907 1.00 0.00 N ATOM 238 CA VAL A 20 -9.223 -4.800 9.697 1.00 0.00 C ATOM 239 C VAL A 20 -10.508 -5.617 9.621 1.00 0.00 C ATOM 240 O VAL A 20 -11.319 -5.604 10.546 1.00 0.00 O ATOM 241 CB VAL A 20 -9.513 -3.363 9.226 1.00 0.00 C ATOM 242 CG1 VAL A 20 -10.495 -2.681 10.167 1.00 0.00 C ATOM 243 CG2 VAL A 20 -8.221 -2.566 9.122 1.00 0.00 C ATOM 0 H VAL A 20 -7.868 -4.866 8.099 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.874 -4.773 10.729 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.966 -3.408 8.236 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.688 -1.666 9.818 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.429 -3.242 10.187 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -10.072 -2.645 11.171 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.444 -1.553 8.788 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.737 -2.528 10.098 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.554 -3.046 8.405 1.00 0.00 H new ATOM 253 N ASN A 21 -10.687 -6.327 8.512 1.00 0.00 N ATOM 254 CA ASN A 21 -11.874 -7.151 8.315 1.00 0.00 C ATOM 255 C ASN A 21 -11.652 -8.168 7.200 1.00 0.00 C ATOM 256 O ASN A 21 -10.556 -8.269 6.648 1.00 0.00 O ATOM 257 CB ASN A 21 -13.082 -6.271 7.984 1.00 0.00 C ATOM 258 CG ASN A 21 -13.829 -5.824 9.226 1.00 0.00 C ATOM 259 OD1 ASN A 21 -13.719 -6.441 10.286 1.00 0.00 O ATOM 260 ND2 ASN A 21 -14.594 -4.747 9.100 1.00 0.00 N ATOM 0 H ASN A 21 -10.025 -6.348 7.736 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.068 -7.691 9.242 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -12.748 -5.394 7.429 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.761 -6.821 7.333 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -15.121 -4.399 9.901 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -14.655 -4.267 8.202 1.00 0.00 H new ATOM 267 N GLU A 22 -12.699 -8.919 6.874 1.00 0.00 N ATOM 268 CA GLU A 22 -12.617 -9.929 5.824 1.00 0.00 C ATOM 269 C GLU A 22 -12.474 -9.277 4.452 1.00 0.00 C ATOM 270 O GLU A 22 -12.047 -9.915 3.489 1.00 0.00 O ATOM 271 CB GLU A 22 -13.858 -10.824 5.849 1.00 0.00 C ATOM 272 CG GLU A 22 -15.142 -10.094 5.492 1.00 0.00 C ATOM 273 CD GLU A 22 -15.823 -9.487 6.703 1.00 0.00 C ATOM 274 OE1 GLU A 22 -16.105 -10.233 7.663 1.00 0.00 O ATOM 275 OE2 GLU A 22 -16.074 -8.263 6.689 1.00 0.00 O ATOM 0 H GLU A 22 -13.613 -8.848 7.321 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.734 -10.540 6.011 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.714 -11.650 5.153 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.962 -11.259 6.843 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.920 -9.307 4.772 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -15.827 -10.788 5.004 1.00 0.00 H new ATOM 282 N THR A 23 -12.836 -8.000 4.369 1.00 0.00 N ATOM 283 CA THR A 23 -12.750 -7.261 3.116 1.00 0.00 C ATOM 284 C THR A 23 -12.041 -5.926 3.312 1.00 0.00 C ATOM 285 O THR A 23 -12.136 -5.030 2.472 1.00 0.00 O ATOM 286 CB THR A 23 -14.147 -7.005 2.519 1.00 0.00 C ATOM 287 OG1 THR A 23 -14.972 -6.328 3.474 1.00 0.00 O ATOM 288 CG2 THR A 23 -14.807 -8.312 2.106 1.00 0.00 C ATOM 0 H THR A 23 -13.192 -7.456 5.155 1.00 0.00 H new ATOM 0 HA THR A 23 -12.174 -7.876 2.425 1.00 0.00 H new ATOM 0 HB THR A 23 -14.030 -6.380 1.634 1.00 0.00 H new ATOM 0 HG1 THR A 23 -15.857 -6.168 3.086 1.00 0.00 H new ATOM 0 HG21 THR A 23 -15.792 -8.106 1.687 1.00 0.00 H new ATOM 0 HG22 THR A 23 -14.191 -8.810 1.357 1.00 0.00 H new ATOM 0 HG23 THR A 23 -14.911 -8.958 2.978 1.00 0.00 H new ATOM 296 N THR A 24 -11.329 -5.797 4.427 1.00 0.00 N ATOM 297 CA THR A 24 -10.604 -4.571 4.734 1.00 0.00 C ATOM 298 C THR A 24 -9.228 -4.876 5.315 1.00 0.00 C ATOM 299 O THR A 24 -9.042 -5.884 5.998 1.00 0.00 O ATOM 300 CB THR A 24 -11.384 -3.691 5.728 1.00 0.00 C ATOM 301 OG1 THR A 24 -12.764 -3.628 5.349 1.00 0.00 O ATOM 302 CG2 THR A 24 -10.803 -2.286 5.779 1.00 0.00 C ATOM 0 H THR A 24 -11.239 -6.528 5.133 1.00 0.00 H new ATOM 0 HA THR A 24 -10.487 -4.030 3.795 1.00 0.00 H new ATOM 0 HB THR A 24 -11.299 -4.138 6.718 1.00 0.00 H new ATOM 0 HG1 THR A 24 -13.253 -3.068 5.987 1.00 0.00 H new ATOM 0 HG21 THR A 24 -11.371 -1.683 6.488 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.761 -2.334 6.096 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.860 -1.832 4.790 1.00 0.00 H new ATOM 310 N ILE A 25 -8.267 -4.001 5.040 1.00 0.00 N ATOM 311 CA ILE A 25 -6.908 -4.177 5.538 1.00 0.00 C ATOM 312 C ILE A 25 -6.275 -2.836 5.893 1.00 0.00 C ATOM 313 O ILE A 25 -6.377 -1.870 5.137 1.00 0.00 O ATOM 314 CB ILE A 25 -6.019 -4.895 4.505 1.00 0.00 C ATOM 315 CG1 ILE A 25 -6.380 -6.380 4.433 1.00 0.00 C ATOM 316 CG2 ILE A 25 -4.550 -4.717 4.857 1.00 0.00 C ATOM 317 CD1 ILE A 25 -5.738 -7.102 3.270 1.00 0.00 C ATOM 0 H ILE A 25 -8.404 -3.163 4.475 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.977 -4.792 6.435 1.00 0.00 H new ATOM 0 HB ILE A 25 -6.194 -4.451 3.525 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.079 -6.864 5.362 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.463 -6.479 4.359 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.934 -5.230 4.118 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -4.303 -3.655 4.861 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.359 -5.138 5.844 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.038 -8.150 3.282 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -6.059 -6.643 2.335 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.653 -7.034 3.354 1.00 0.00 H new ATOM 329 N MET A 26 -5.618 -2.785 7.047 1.00 0.00 N ATOM 330 CA MET A 26 -4.964 -1.563 7.501 1.00 0.00 C ATOM 331 C MET A 26 -3.447 -1.699 7.430 1.00 0.00 C ATOM 332 O MET A 26 -2.865 -2.599 8.037 1.00 0.00 O ATOM 333 CB MET A 26 -5.392 -1.232 8.932 1.00 0.00 C ATOM 334 CG MET A 26 -4.595 -0.099 9.558 1.00 0.00 C ATOM 335 SD MET A 26 -5.358 1.514 9.296 1.00 0.00 S ATOM 336 CE MET A 26 -4.540 2.036 7.791 1.00 0.00 C ATOM 0 H MET A 26 -5.524 -3.575 7.685 1.00 0.00 H new ATOM 0 HA MET A 26 -5.269 -0.751 6.841 1.00 0.00 H new ATOM 0 HB2 MET A 26 -6.449 -0.966 8.934 1.00 0.00 H new ATOM 0 HB3 MET A 26 -5.287 -2.124 9.550 1.00 0.00 H new ATOM 0 HG2 MET A 26 -4.494 -0.279 10.628 1.00 0.00 H new ATOM 0 HG3 MET A 26 -3.589 -0.093 9.139 1.00 0.00 H new ATOM 0 HE1 MET A 26 -5.039 2.920 7.393 1.00 0.00 H new ATOM 0 HE2 MET A 26 -3.498 2.274 8.007 1.00 0.00 H new ATOM 0 HE3 MET A 26 -4.584 1.233 7.055 1.00 0.00 H new ATOM 346 N LEU A 27 -2.811 -0.802 6.684 1.00 0.00 N ATOM 347 CA LEU A 27 -1.360 -0.822 6.533 1.00 0.00 C ATOM 348 C LEU A 27 -0.778 0.580 6.680 1.00 0.00 C ATOM 349 O LEU A 27 -1.356 1.557 6.204 1.00 0.00 O ATOM 350 CB LEU A 27 -0.978 -1.406 5.172 1.00 0.00 C ATOM 351 CG LEU A 27 -0.926 -0.416 4.008 1.00 0.00 C ATOM 352 CD1 LEU A 27 -0.060 -0.961 2.883 1.00 0.00 C ATOM 353 CD2 LEU A 27 -2.329 -0.111 3.504 1.00 0.00 C ATOM 0 H LEU A 27 -3.277 -0.052 6.174 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.945 -1.451 7.321 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.001 -1.880 5.264 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.691 -2.192 4.923 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.480 0.512 4.365 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.034 -0.243 2.063 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.952 -1.128 3.251 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.476 -1.903 2.527 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.273 0.595 2.676 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.802 -1.032 3.164 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.919 0.323 4.311 1.00 0.00 H new ATOM 365 N LYS A 28 0.372 0.671 7.340 1.00 0.00 N ATOM 366 CA LYS A 28 1.036 1.952 7.547 1.00 0.00 C ATOM 367 C LYS A 28 2.443 1.937 6.960 1.00 0.00 C ATOM 368 O LYS A 28 3.137 0.921 7.013 1.00 0.00 O ATOM 369 CB LYS A 28 1.098 2.282 9.041 1.00 0.00 C ATOM 370 CG LYS A 28 -0.259 2.574 9.656 1.00 0.00 C ATOM 371 CD LYS A 28 -1.062 1.300 9.863 1.00 0.00 C ATOM 372 CE LYS A 28 -2.041 1.441 11.019 1.00 0.00 C ATOM 373 NZ LYS A 28 -2.734 2.759 11.003 1.00 0.00 N ATOM 0 H LYS A 28 0.863 -0.128 7.741 1.00 0.00 H new ATOM 0 HA LYS A 28 0.456 2.720 7.035 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.555 1.446 9.570 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.747 3.145 9.187 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.125 3.080 10.612 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.814 3.254 9.010 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.607 1.060 8.950 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.384 0.469 10.058 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.780 0.642 10.968 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.508 1.323 11.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.341 2.842 11.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.028 3.523 11.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.318 2.834 10.146 1.00 0.00 H new ATOM 387 N TRP A 29 2.859 3.068 6.403 1.00 0.00 N ATOM 388 CA TRP A 29 4.186 3.184 5.807 1.00 0.00 C ATOM 389 C TRP A 29 5.000 4.272 6.499 1.00 0.00 C ATOM 390 O TRP A 29 4.442 5.191 7.098 1.00 0.00 O ATOM 391 CB TRP A 29 4.071 3.489 4.313 1.00 0.00 C ATOM 392 CG TRP A 29 3.177 4.653 4.011 1.00 0.00 C ATOM 393 CD1 TRP A 29 3.525 5.973 4.002 1.00 0.00 C ATOM 394 CD2 TRP A 29 1.786 4.601 3.675 1.00 0.00 C ATOM 395 NE1 TRP A 29 2.434 6.745 3.682 1.00 0.00 N ATOM 396 CE2 TRP A 29 1.355 5.927 3.476 1.00 0.00 C ATOM 397 CE3 TRP A 29 0.863 3.563 3.522 1.00 0.00 C ATOM 398 CZ2 TRP A 29 0.042 6.239 3.133 1.00 0.00 C ATOM 399 CZ3 TRP A 29 -0.440 3.874 3.182 1.00 0.00 C ATOM 400 CH2 TRP A 29 -0.840 5.203 2.990 1.00 0.00 C ATOM 0 H TRP A 29 2.298 3.918 6.351 1.00 0.00 H new ATOM 0 HA TRP A 29 4.701 2.232 5.938 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.065 3.690 3.913 1.00 0.00 H new ATOM 0 HB3 TRP A 29 3.693 2.606 3.797 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.513 6.355 4.215 1.00 0.00 H new ATOM 0 HE1 TRP A 29 2.429 7.762 3.610 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.163 2.536 3.667 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -0.269 7.263 2.985 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.162 3.080 3.062 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.865 5.414 2.724 1.00 0.00 H new ATOM 411 N MET A 30 6.322 4.161 6.413 1.00 0.00 N ATOM 412 CA MET A 30 7.212 5.136 7.030 1.00 0.00 C ATOM 413 C MET A 30 8.071 5.831 5.978 1.00 0.00 C ATOM 414 O MET A 30 8.220 5.337 4.860 1.00 0.00 O ATOM 415 CB MET A 30 8.107 4.457 8.069 1.00 0.00 C ATOM 416 CG MET A 30 9.417 3.940 7.497 1.00 0.00 C ATOM 417 SD MET A 30 10.738 5.164 7.571 1.00 0.00 S ATOM 418 CE MET A 30 11.155 5.108 9.312 1.00 0.00 C ATOM 0 H MET A 30 6.800 3.405 5.922 1.00 0.00 H new ATOM 0 HA MET A 30 6.598 5.887 7.526 1.00 0.00 H new ATOM 0 HB2 MET A 30 8.324 5.165 8.869 1.00 0.00 H new ATOM 0 HB3 MET A 30 7.563 3.626 8.518 1.00 0.00 H new ATOM 0 HG2 MET A 30 9.722 3.049 8.045 1.00 0.00 H new ATOM 0 HG3 MET A 30 9.263 3.640 6.461 1.00 0.00 H new ATOM 0 HE1 MET A 30 12.115 5.599 9.472 1.00 0.00 H new ATOM 0 HE2 MET A 30 10.385 5.621 9.887 1.00 0.00 H new ATOM 0 HE3 MET A 30 11.219 4.070 9.637 1.00 0.00 H new ATOM 428 N TYR A 31 8.633 6.978 6.343 1.00 0.00 N ATOM 429 CA TYR A 31 9.475 7.741 5.429 1.00 0.00 C ATOM 430 C TYR A 31 10.891 7.880 5.980 1.00 0.00 C ATOM 431 O TYR A 31 11.084 8.103 7.176 1.00 0.00 O ATOM 432 CB TYR A 31 8.873 9.126 5.184 1.00 0.00 C ATOM 433 CG TYR A 31 9.531 9.880 4.051 1.00 0.00 C ATOM 434 CD1 TYR A 31 9.196 9.617 2.728 1.00 0.00 C ATOM 435 CD2 TYR A 31 10.489 10.854 4.303 1.00 0.00 C ATOM 436 CE1 TYR A 31 9.795 10.303 1.690 1.00 0.00 C ATOM 437 CE2 TYR A 31 11.092 11.547 3.271 1.00 0.00 C ATOM 438 CZ TYR A 31 10.742 11.267 1.966 1.00 0.00 C ATOM 439 OH TYR A 31 11.342 11.953 0.935 1.00 0.00 O ATOM 0 H TYR A 31 8.521 7.400 7.265 1.00 0.00 H new ATOM 0 HA TYR A 31 9.524 7.201 4.484 1.00 0.00 H new ATOM 0 HB2 TYR A 31 7.810 9.018 4.968 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.955 9.715 6.097 1.00 0.00 H new ATOM 0 HD1 TYR A 31 8.455 8.863 2.508 1.00 0.00 H new ATOM 0 HD2 TYR A 31 10.767 11.073 5.323 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.523 10.086 0.668 1.00 0.00 H new ATOM 0 HE2 TYR A 31 11.833 12.303 3.484 1.00 0.00 H new ATOM 0 HH TYR A 31 11.186 12.914 1.047 1.00 0.00 H new ATOM 449 N ILE A 32 11.877 7.747 5.100 1.00 0.00 N ATOM 450 CA ILE A 32 13.275 7.859 5.497 1.00 0.00 C ATOM 451 C ILE A 32 13.852 9.214 5.101 1.00 0.00 C ATOM 452 O ILE A 32 14.287 9.425 3.969 1.00 0.00 O ATOM 453 CB ILE A 32 14.131 6.745 4.865 1.00 0.00 C ATOM 454 CG1 ILE A 32 13.594 5.370 5.266 1.00 0.00 C ATOM 455 CG2 ILE A 32 15.586 6.895 5.282 1.00 0.00 C ATOM 456 CD1 ILE A 32 13.838 5.027 6.719 1.00 0.00 C ATOM 0 H ILE A 32 11.734 7.562 4.107 1.00 0.00 H new ATOM 0 HA ILE A 32 13.304 7.757 6.582 1.00 0.00 H new ATOM 0 HB ILE A 32 14.074 6.833 3.780 1.00 0.00 H new ATOM 0 HG12 ILE A 32 12.523 5.335 5.068 1.00 0.00 H new ATOM 0 HG13 ILE A 32 14.059 4.610 4.638 1.00 0.00 H new ATOM 0 HG21 ILE A 32 16.178 6.101 4.828 1.00 0.00 H new ATOM 0 HG22 ILE A 32 15.962 7.863 4.950 1.00 0.00 H new ATOM 0 HG23 ILE A 32 15.662 6.829 6.367 1.00 0.00 H new ATOM 0 HD11 ILE A 32 13.431 4.039 6.933 1.00 0.00 H new ATOM 0 HD12 ILE A 32 14.910 5.029 6.918 1.00 0.00 H new ATOM 0 HD13 ILE A 32 13.349 5.766 7.354 1.00 0.00 H new ATOM 468 N PRO A 33 13.858 10.156 6.056 1.00 0.00 N ATOM 469 CA PRO A 33 14.381 11.507 5.832 1.00 0.00 C ATOM 470 C PRO A 33 15.897 11.522 5.670 1.00 0.00 C ATOM 471 O PRO A 33 16.457 12.438 5.068 1.00 0.00 O ATOM 472 CB PRO A 33 13.971 12.261 7.100 1.00 0.00 C ATOM 473 CG PRO A 33 13.841 11.205 8.143 1.00 0.00 C ATOM 474 CD PRO A 33 13.355 9.974 7.429 1.00 0.00 C ATOM 0 HA PRO A 33 13.993 11.947 4.914 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.719 13.003 7.379 1.00 0.00 H new ATOM 0 HB3 PRO A 33 13.031 12.794 6.957 1.00 0.00 H new ATOM 0 HG2 PRO A 33 14.797 11.020 8.632 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.139 11.508 8.920 1.00 0.00 H new ATOM 0 HD2 PRO A 33 13.747 9.064 7.884 1.00 0.00 H new ATOM 0 HD3 PRO A 33 12.268 9.899 7.452 1.00 0.00 H new ATOM 482 N ALA A 34 16.555 10.503 6.212 1.00 0.00 N ATOM 483 CA ALA A 34 18.007 10.398 6.125 1.00 0.00 C ATOM 484 C ALA A 34 18.481 10.532 4.682 1.00 0.00 C ATOM 485 O ALA A 34 19.069 11.545 4.303 1.00 0.00 O ATOM 486 CB ALA A 34 18.477 9.078 6.717 1.00 0.00 C ATOM 0 H ALA A 34 16.106 9.738 6.716 1.00 0.00 H new ATOM 0 HA ALA A 34 18.441 11.216 6.700 1.00 0.00 H new ATOM 0 HB1 ALA A 34 19.563 9.013 6.645 1.00 0.00 H new ATOM 0 HB2 ALA A 34 18.178 9.022 7.764 1.00 0.00 H new ATOM 0 HB3 ALA A 34 18.027 8.252 6.167 1.00 0.00 H new ATOM 492 N SER A 35 18.223 9.503 3.881 1.00 0.00 N ATOM 493 CA SER A 35 18.628 9.504 2.480 1.00 0.00 C ATOM 494 C SER A 35 17.577 10.189 1.612 1.00 0.00 C ATOM 495 O SER A 35 17.301 9.755 0.494 1.00 0.00 O ATOM 496 CB SER A 35 18.855 8.072 1.992 1.00 0.00 C ATOM 497 OG SER A 35 20.187 7.656 2.234 1.00 0.00 O ATOM 0 H SER A 35 17.735 8.658 4.178 1.00 0.00 H new ATOM 0 HA SER A 35 19.562 10.060 2.397 1.00 0.00 H new ATOM 0 HB2 SER A 35 18.163 7.398 2.497 1.00 0.00 H new ATOM 0 HB3 SER A 35 18.639 8.009 0.925 1.00 0.00 H new ATOM 0 HG SER A 35 20.306 6.737 1.915 1.00 0.00 H new ATOM 503 N ASN A 36 16.995 11.263 2.135 1.00 0.00 N ATOM 504 CA ASN A 36 15.974 12.009 1.408 1.00 0.00 C ATOM 505 C ASN A 36 16.555 13.289 0.813 1.00 0.00 C ATOM 506 O ASN A 36 17.550 13.818 1.306 1.00 0.00 O ATOM 507 CB ASN A 36 14.805 12.350 2.335 1.00 0.00 C ATOM 508 CG ASN A 36 13.769 13.228 1.660 1.00 0.00 C ATOM 509 OD1 ASN A 36 13.640 13.226 0.436 1.00 0.00 O ATOM 510 ND2 ASN A 36 13.024 13.984 2.458 1.00 0.00 N ATOM 0 H ASN A 36 17.213 11.636 3.059 1.00 0.00 H new ATOM 0 HA ASN A 36 15.613 11.382 0.593 1.00 0.00 H new ATOM 0 HB2 ASN A 36 14.332 11.428 2.672 1.00 0.00 H new ATOM 0 HB3 ASN A 36 15.184 12.857 3.222 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.310 14.595 2.061 1.00 0.00 H new ATOM 0 HD22 ASN A 36 13.166 13.954 3.468 1.00 0.00 H new ATOM 517 N ASN A 37 15.926 13.780 -0.249 1.00 0.00 N ATOM 518 CA ASN A 37 16.380 14.997 -0.912 1.00 0.00 C ATOM 519 C ASN A 37 15.549 16.198 -0.472 1.00 0.00 C ATOM 520 O ASN A 37 15.375 17.155 -1.225 1.00 0.00 O ATOM 521 CB ASN A 37 16.298 14.836 -2.431 1.00 0.00 C ATOM 522 CG ASN A 37 17.243 15.769 -3.163 1.00 0.00 C ATOM 523 OD1 ASN A 37 18.307 16.121 -2.652 1.00 0.00 O ATOM 524 ND2 ASN A 37 16.858 16.176 -4.367 1.00 0.00 N ATOM 0 H ASN A 37 15.100 13.354 -0.669 1.00 0.00 H new ATOM 0 HA ASN A 37 17.418 15.171 -0.627 1.00 0.00 H new ATOM 0 HB2 ASN A 37 16.531 13.805 -2.697 1.00 0.00 H new ATOM 0 HB3 ASN A 37 15.276 15.027 -2.759 1.00 0.00 H new ATOM 0 HD21 ASN A 37 17.452 16.805 -4.907 1.00 0.00 H new ATOM 0 HD22 ASN A 37 15.968 15.859 -4.752 1.00 0.00 H new ATOM 531 N ASN A 38 15.040 16.141 0.755 1.00 0.00 N ATOM 532 CA ASN A 38 14.227 17.225 1.296 1.00 0.00 C ATOM 533 C ASN A 38 13.234 17.732 0.255 1.00 0.00 C ATOM 534 O ASN A 38 13.042 18.939 0.100 1.00 0.00 O ATOM 535 CB ASN A 38 15.121 18.373 1.767 1.00 0.00 C ATOM 536 CG ASN A 38 15.863 18.041 3.048 1.00 0.00 C ATOM 537 OD1 ASN A 38 16.914 17.402 3.021 1.00 0.00 O ATOM 538 ND2 ASN A 38 15.316 18.476 4.177 1.00 0.00 N ATOM 0 H ASN A 38 15.176 15.357 1.393 1.00 0.00 H new ATOM 0 HA ASN A 38 13.667 16.837 2.147 1.00 0.00 H new ATOM 0 HB2 ASN A 38 15.841 18.613 0.985 1.00 0.00 H new ATOM 0 HB3 ASN A 38 14.512 19.263 1.924 1.00 0.00 H new ATOM 0 HD21 ASN A 38 15.769 18.284 5.070 1.00 0.00 H new ATOM 0 HD22 ASN A 38 14.443 19.002 4.151 1.00 0.00 H new ATOM 545 N THR A 39 12.603 16.803 -0.456 1.00 0.00 N ATOM 546 CA THR A 39 11.630 17.155 -1.482 1.00 0.00 C ATOM 547 C THR A 39 10.218 16.771 -1.055 1.00 0.00 C ATOM 548 O THR A 39 9.979 15.692 -0.513 1.00 0.00 O ATOM 549 CB THR A 39 11.954 16.468 -2.822 1.00 0.00 C ATOM 550 OG1 THR A 39 11.398 17.221 -3.906 1.00 0.00 O ATOM 551 CG2 THR A 39 11.405 15.049 -2.850 1.00 0.00 C ATOM 0 H THR A 39 12.749 15.800 -0.340 1.00 0.00 H new ATOM 0 HA THR A 39 11.685 18.236 -1.613 1.00 0.00 H new ATOM 0 HB THR A 39 13.038 16.424 -2.929 1.00 0.00 H new ATOM 0 HG1 THR A 39 11.610 16.778 -4.754 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.646 14.584 -3.806 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.852 14.470 -2.042 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.323 15.075 -2.722 1.00 0.00 H new ATOM 559 N PRO A 40 9.258 17.674 -1.305 1.00 0.00 N ATOM 560 CA PRO A 40 7.852 17.451 -0.955 1.00 0.00 C ATOM 561 C PRO A 40 7.203 16.376 -1.820 1.00 0.00 C ATOM 562 O PRO A 40 7.526 16.237 -3.000 1.00 0.00 O ATOM 563 CB PRO A 40 7.201 18.812 -1.216 1.00 0.00 C ATOM 564 CG PRO A 40 8.074 19.460 -2.234 1.00 0.00 C ATOM 565 CD PRO A 40 9.471 18.981 -1.948 1.00 0.00 C ATOM 0 HA PRO A 40 7.738 17.098 0.070 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.181 18.699 -1.583 1.00 0.00 H new ATOM 0 HB3 PRO A 40 7.147 19.407 -0.304 1.00 0.00 H new ATOM 0 HG2 PRO A 40 7.766 19.186 -3.243 1.00 0.00 H new ATOM 0 HG3 PRO A 40 8.012 20.546 -2.166 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.059 18.889 -2.861 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.006 19.669 -1.293 1.00 0.00 H new ATOM 573 N ILE A 41 6.286 15.619 -1.227 1.00 0.00 N ATOM 574 CA ILE A 41 5.591 14.558 -1.945 1.00 0.00 C ATOM 575 C ILE A 41 4.146 14.948 -2.238 1.00 0.00 C ATOM 576 O ILE A 41 3.497 15.618 -1.434 1.00 0.00 O ATOM 577 CB ILE A 41 5.603 13.239 -1.150 1.00 0.00 C ATOM 578 CG1 ILE A 41 7.000 12.972 -0.585 1.00 0.00 C ATOM 579 CG2 ILE A 41 5.154 12.084 -2.033 1.00 0.00 C ATOM 580 CD1 ILE A 41 7.058 11.779 0.343 1.00 0.00 C ATOM 0 H ILE A 41 6.007 15.721 -0.251 1.00 0.00 H new ATOM 0 HA ILE A 41 6.124 14.412 -2.885 1.00 0.00 H new ATOM 0 HB ILE A 41 4.905 13.327 -0.318 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.693 12.814 -1.411 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.341 13.857 -0.048 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.168 11.159 -1.457 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.142 12.273 -2.392 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.830 11.992 -2.883 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.078 11.649 0.706 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.390 11.943 1.189 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.748 10.884 -0.196 1.00 0.00 H new ATOM 592 N HIS A 42 3.647 14.523 -3.394 1.00 0.00 N ATOM 593 CA HIS A 42 2.277 14.825 -3.793 1.00 0.00 C ATOM 594 C HIS A 42 1.283 13.969 -3.015 1.00 0.00 C ATOM 595 O HIS A 42 0.263 14.464 -2.537 1.00 0.00 O ATOM 596 CB HIS A 42 2.098 14.597 -5.295 1.00 0.00 C ATOM 597 CG HIS A 42 2.528 15.761 -6.133 1.00 0.00 C ATOM 598 ND1 HIS A 42 2.942 15.633 -7.442 1.00 0.00 N ATOM 599 CD2 HIS A 42 2.607 17.080 -5.842 1.00 0.00 C ATOM 600 CE1 HIS A 42 3.257 16.824 -7.920 1.00 0.00 C ATOM 601 NE2 HIS A 42 3.062 17.719 -6.969 1.00 0.00 N ATOM 0 H HIS A 42 4.171 13.968 -4.071 1.00 0.00 H new ATOM 0 HA HIS A 42 2.082 15.873 -3.567 1.00 0.00 H new ATOM 0 HB2 HIS A 42 2.668 13.717 -5.591 1.00 0.00 H new ATOM 0 HB3 HIS A 42 1.049 14.381 -5.499 1.00 0.00 H new ATOM 0 HD2 HIS A 42 2.358 17.544 -4.899 1.00 0.00 H new ATOM 0 HE1 HIS A 42 3.613 17.030 -8.918 1.00 0.00 H new ATOM 0 HE2 HIS A 42 3.223 18.722 -7.057 1.00 0.00 H new ATOM 610 N GLY A 43 1.587 12.680 -2.892 1.00 0.00 N ATOM 611 CA GLY A 43 0.710 11.776 -2.171 1.00 0.00 C ATOM 612 C GLY A 43 1.323 10.404 -1.979 1.00 0.00 C ATOM 613 O GLY A 43 2.546 10.258 -1.966 1.00 0.00 O ATOM 0 H GLY A 43 2.425 12.246 -3.279 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.473 12.204 -1.197 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.230 11.678 -2.713 1.00 0.00 H new ATOM 617 N PHE A 44 0.473 9.393 -1.828 1.00 0.00 N ATOM 618 CA PHE A 44 0.939 8.025 -1.633 1.00 0.00 C ATOM 619 C PHE A 44 0.065 7.038 -2.401 1.00 0.00 C ATOM 620 O PHE A 44 -1.145 6.965 -2.185 1.00 0.00 O ATOM 621 CB PHE A 44 0.939 7.672 -0.144 1.00 0.00 C ATOM 622 CG PHE A 44 2.100 8.256 0.610 1.00 0.00 C ATOM 623 CD1 PHE A 44 3.401 7.911 0.281 1.00 0.00 C ATOM 624 CD2 PHE A 44 1.890 9.149 1.648 1.00 0.00 C ATOM 625 CE1 PHE A 44 4.470 8.446 0.974 1.00 0.00 C ATOM 626 CE2 PHE A 44 2.955 9.688 2.344 1.00 0.00 C ATOM 627 CZ PHE A 44 4.247 9.337 2.006 1.00 0.00 C ATOM 0 H PHE A 44 -0.542 9.496 -1.837 1.00 0.00 H new ATOM 0 HA PHE A 44 1.957 7.956 -2.016 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.010 8.024 0.305 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.954 6.587 -0.036 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.581 7.216 -0.526 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.882 9.427 1.916 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.479 8.168 0.709 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.777 10.383 3.151 1.00 0.00 H new ATOM 0 HZ PHE A 44 5.081 9.758 2.547 1.00 0.00 H new ATOM 637 N TYR A 45 0.686 6.282 -3.299 1.00 0.00 N ATOM 638 CA TYR A 45 -0.035 5.301 -4.102 1.00 0.00 C ATOM 639 C TYR A 45 0.050 3.914 -3.473 1.00 0.00 C ATOM 640 O TYR A 45 1.107 3.501 -2.993 1.00 0.00 O ATOM 641 CB TYR A 45 0.526 5.264 -5.524 1.00 0.00 C ATOM 642 CG TYR A 45 -0.045 6.332 -6.429 1.00 0.00 C ATOM 643 CD1 TYR A 45 -1.411 6.584 -6.463 1.00 0.00 C ATOM 644 CD2 TYR A 45 0.781 7.090 -7.249 1.00 0.00 C ATOM 645 CE1 TYR A 45 -1.937 7.559 -7.288 1.00 0.00 C ATOM 646 CE2 TYR A 45 0.264 8.068 -8.077 1.00 0.00 C ATOM 647 CZ TYR A 45 -1.096 8.298 -8.093 1.00 0.00 C ATOM 648 OH TYR A 45 -1.617 9.270 -8.916 1.00 0.00 O ATOM 0 H TYR A 45 1.687 6.329 -3.489 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.083 5.599 -4.140 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.609 5.377 -5.481 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.325 4.285 -5.959 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.073 6.008 -5.834 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.846 6.912 -7.239 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.001 7.742 -7.302 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.921 8.649 -8.708 1.00 0.00 H new ATOM 0 HH TYR A 45 -0.891 9.699 -9.416 1.00 0.00 H new ATOM 658 N ILE A 46 -1.070 3.198 -3.480 1.00 0.00 N ATOM 659 CA ILE A 46 -1.122 1.857 -2.913 1.00 0.00 C ATOM 660 C ILE A 46 -1.692 0.858 -3.915 1.00 0.00 C ATOM 661 O ILE A 46 -2.796 1.039 -4.428 1.00 0.00 O ATOM 662 CB ILE A 46 -1.973 1.821 -1.629 1.00 0.00 C ATOM 663 CG1 ILE A 46 -1.339 2.697 -0.547 1.00 0.00 C ATOM 664 CG2 ILE A 46 -2.130 0.390 -1.137 1.00 0.00 C ATOM 665 CD1 ILE A 46 -2.343 3.284 0.420 1.00 0.00 C ATOM 0 H ILE A 46 -1.953 3.525 -3.872 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.097 1.578 -2.668 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.963 2.216 -1.855 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.614 2.104 0.010 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.789 3.508 -1.024 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.734 0.381 -0.229 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.621 -0.207 -1.905 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.148 -0.031 -0.923 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.823 3.893 1.159 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.054 3.904 -0.126 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.876 2.478 0.924 1.00 0.00 H new ATOM 677 N TYR A 47 -0.932 -0.196 -4.187 1.00 0.00 N ATOM 678 CA TYR A 47 -1.360 -1.225 -5.128 1.00 0.00 C ATOM 679 C TYR A 47 -1.705 -2.520 -4.400 1.00 0.00 C ATOM 680 O TYR A 47 -1.090 -2.860 -3.388 1.00 0.00 O ATOM 681 CB TYR A 47 -0.265 -1.485 -6.165 1.00 0.00 C ATOM 682 CG TYR A 47 0.090 -0.268 -6.989 1.00 0.00 C ATOM 683 CD1 TYR A 47 0.701 0.836 -6.407 1.00 0.00 C ATOM 684 CD2 TYR A 47 -0.185 -0.223 -8.350 1.00 0.00 C ATOM 685 CE1 TYR A 47 1.026 1.950 -7.156 1.00 0.00 C ATOM 686 CE2 TYR A 47 0.139 0.887 -9.107 1.00 0.00 C ATOM 687 CZ TYR A 47 0.743 1.970 -8.506 1.00 0.00 C ATOM 688 OH TYR A 47 1.067 3.078 -9.256 1.00 0.00 O ATOM 0 H TYR A 47 -0.016 -0.361 -3.769 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.255 -0.867 -5.637 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.630 -1.841 -5.655 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.590 -2.283 -6.832 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.926 0.823 -5.351 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.660 -1.069 -8.824 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.499 2.800 -6.688 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.080 0.906 -10.164 1.00 0.00 H new ATOM 0 HH TYR A 47 1.029 2.851 -10.209 1.00 0.00 H new ATOM 698 N TYR A 48 -2.691 -3.240 -4.922 1.00 0.00 N ATOM 699 CA TYR A 48 -3.121 -4.497 -4.322 1.00 0.00 C ATOM 700 C TYR A 48 -3.827 -5.378 -5.349 1.00 0.00 C ATOM 701 O TYR A 48 -4.375 -4.884 -6.335 1.00 0.00 O ATOM 702 CB TYR A 48 -4.050 -4.230 -3.138 1.00 0.00 C ATOM 703 CG TYR A 48 -5.103 -3.182 -3.418 1.00 0.00 C ATOM 704 CD1 TYR A 48 -4.791 -1.828 -3.382 1.00 0.00 C ATOM 705 CD2 TYR A 48 -6.410 -3.544 -3.721 1.00 0.00 C ATOM 706 CE1 TYR A 48 -5.749 -0.867 -3.637 1.00 0.00 C ATOM 707 CE2 TYR A 48 -7.375 -2.590 -3.978 1.00 0.00 C ATOM 708 CZ TYR A 48 -7.039 -1.252 -3.935 1.00 0.00 C ATOM 709 OH TYR A 48 -7.997 -0.298 -4.191 1.00 0.00 O ATOM 0 H TYR A 48 -3.208 -2.974 -5.760 1.00 0.00 H new ATOM 0 HA TYR A 48 -2.234 -5.023 -3.968 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -4.542 -5.161 -2.856 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -3.453 -3.913 -2.283 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.781 -1.522 -3.150 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.676 -4.590 -3.756 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -5.489 0.181 -3.603 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -8.386 -2.889 -4.211 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.562 0.554 -4.403 1.00 0.00 H new ATOM 719 N ARG A 49 -3.810 -6.685 -5.109 1.00 0.00 N ATOM 720 CA ARG A 49 -4.447 -7.636 -6.012 1.00 0.00 C ATOM 721 C ARG A 49 -4.387 -9.050 -5.444 1.00 0.00 C ATOM 722 O ARG A 49 -3.403 -9.455 -4.824 1.00 0.00 O ATOM 723 CB ARG A 49 -3.774 -7.597 -7.386 1.00 0.00 C ATOM 724 CG ARG A 49 -2.402 -8.250 -7.410 1.00 0.00 C ATOM 725 CD ARG A 49 -2.493 -9.726 -7.764 1.00 0.00 C ATOM 726 NE ARG A 49 -1.246 -10.434 -7.485 1.00 0.00 N ATOM 727 CZ ARG A 49 -0.126 -10.250 -8.175 1.00 0.00 C ATOM 728 NH1 ARG A 49 -0.098 -9.386 -9.180 1.00 0.00 N ATOM 729 NH2 ARG A 49 0.968 -10.932 -7.861 1.00 0.00 N ATOM 0 H ARG A 49 -3.362 -7.110 -4.297 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.494 -7.351 -6.119 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.417 -8.096 -8.111 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.679 -6.559 -7.705 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.768 -7.740 -8.135 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.927 -8.137 -6.435 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.304 -10.185 -7.199 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.741 -9.831 -8.820 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.235 -11.107 -6.718 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.938 -8.861 -9.425 1.00 0.00 H new ATOM 0 HH12 ARG A 49 0.763 -9.246 -9.709 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.950 -11.598 -7.089 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.827 -10.790 -8.392 1.00 0.00 H new ATOM 743 N PRO A 50 -5.463 -9.821 -5.658 1.00 0.00 N ATOM 744 CA PRO A 50 -5.557 -11.202 -5.174 1.00 0.00 C ATOM 745 C PRO A 50 -4.615 -12.142 -5.919 1.00 0.00 C ATOM 746 O PRO A 50 -4.451 -12.039 -7.135 1.00 0.00 O ATOM 747 CB PRO A 50 -7.015 -11.576 -5.452 1.00 0.00 C ATOM 748 CG PRO A 50 -7.426 -10.691 -6.577 1.00 0.00 C ATOM 749 CD PRO A 50 -6.672 -9.404 -6.388 1.00 0.00 C ATOM 0 HA PRO A 50 -5.273 -11.287 -4.125 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -7.109 -12.628 -5.721 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.639 -11.415 -4.573 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.187 -11.146 -7.538 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.502 -10.518 -6.565 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -6.425 -8.939 -7.342 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.253 -8.677 -5.821 1.00 0.00 H new ATOM 757 N THR A 51 -3.997 -13.059 -5.182 1.00 0.00 N ATOM 758 CA THR A 51 -3.071 -14.017 -5.772 1.00 0.00 C ATOM 759 C THR A 51 -3.739 -14.814 -6.886 1.00 0.00 C ATOM 760 O THR A 51 -3.071 -15.321 -7.787 1.00 0.00 O ATOM 761 CB THR A 51 -2.524 -14.995 -4.714 1.00 0.00 C ATOM 762 OG1 THR A 51 -1.229 -15.465 -5.105 1.00 0.00 O ATOM 763 CG2 THR A 51 -3.465 -16.176 -4.532 1.00 0.00 C ATOM 0 H THR A 51 -4.121 -13.158 -4.174 1.00 0.00 H new ATOM 0 HA THR A 51 -2.244 -13.441 -6.187 1.00 0.00 H new ATOM 0 HB THR A 51 -2.446 -14.464 -3.765 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.887 -16.085 -4.427 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.058 -16.853 -3.781 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.441 -15.817 -4.206 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.571 -16.706 -5.479 1.00 0.00 H new ATOM 771 N ASP A 52 -5.062 -14.919 -6.820 1.00 0.00 N ATOM 772 CA ASP A 52 -5.822 -15.653 -7.826 1.00 0.00 C ATOM 773 C ASP A 52 -5.807 -14.917 -9.162 1.00 0.00 C ATOM 774 O ASP A 52 -6.137 -15.490 -10.201 1.00 0.00 O ATOM 775 CB ASP A 52 -7.264 -15.857 -7.358 1.00 0.00 C ATOM 776 CG ASP A 52 -7.440 -17.137 -6.565 1.00 0.00 C ATOM 777 OD1 ASP A 52 -6.662 -18.088 -6.793 1.00 0.00 O ATOM 778 OD2 ASP A 52 -8.354 -17.187 -5.716 1.00 0.00 O ATOM 0 H ASP A 52 -5.630 -14.505 -6.081 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.351 -16.627 -7.963 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.567 -15.009 -6.745 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.925 -15.876 -8.225 1.00 0.00 H new ATOM 783 N SER A 53 -5.422 -13.645 -9.128 1.00 0.00 N ATOM 784 CA SER A 53 -5.368 -12.830 -10.335 1.00 0.00 C ATOM 785 C SER A 53 -4.490 -13.487 -11.396 1.00 0.00 C ATOM 786 O SER A 53 -4.007 -14.604 -11.212 1.00 0.00 O ATOM 787 CB SER A 53 -4.836 -11.433 -10.010 1.00 0.00 C ATOM 788 OG SER A 53 -5.870 -10.593 -9.527 1.00 0.00 O ATOM 0 H SER A 53 -5.143 -13.157 -8.277 1.00 0.00 H new ATOM 0 HA SER A 53 -6.380 -12.742 -10.729 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.045 -11.506 -9.264 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.393 -10.992 -10.903 1.00 0.00 H new ATOM 0 HG SER A 53 -5.504 -9.707 -9.325 1.00 0.00 H new ATOM 794 N ASP A 54 -4.288 -12.785 -12.505 1.00 0.00 N ATOM 795 CA ASP A 54 -3.467 -13.298 -13.596 1.00 0.00 C ATOM 796 C ASP A 54 -2.088 -12.646 -13.591 1.00 0.00 C ATOM 797 O ASP A 54 -1.068 -13.331 -13.546 1.00 0.00 O ATOM 798 CB ASP A 54 -4.156 -13.053 -14.940 1.00 0.00 C ATOM 799 CG ASP A 54 -3.690 -14.016 -16.013 1.00 0.00 C ATOM 800 OD1 ASP A 54 -3.423 -15.191 -15.682 1.00 0.00 O ATOM 801 OD2 ASP A 54 -3.593 -13.597 -17.185 1.00 0.00 O ATOM 0 H ASP A 54 -4.681 -11.859 -12.673 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.342 -14.371 -13.451 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.235 -13.148 -14.815 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.961 -12.031 -15.264 1.00 0.00 H new ATOM 806 N ASN A 55 -2.067 -11.318 -13.640 1.00 0.00 N ATOM 807 CA ASN A 55 -0.812 -10.574 -13.643 1.00 0.00 C ATOM 808 C ASN A 55 -1.003 -9.184 -13.043 1.00 0.00 C ATOM 809 O ASN A 55 -2.088 -8.845 -12.569 1.00 0.00 O ATOM 810 CB ASN A 55 -0.269 -10.456 -15.068 1.00 0.00 C ATOM 811 CG ASN A 55 -0.627 -11.655 -15.925 1.00 0.00 C ATOM 812 OD1 ASN A 55 0.118 -12.634 -15.984 1.00 0.00 O ATOM 813 ND2 ASN A 55 -1.772 -11.584 -16.593 1.00 0.00 N ATOM 0 H ASN A 55 -2.903 -10.735 -13.678 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.093 -11.119 -13.031 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -0.664 -9.551 -15.531 1.00 0.00 H new ATOM 0 HB3 ASN A 55 0.815 -10.349 -15.033 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.066 -12.361 -17.185 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.358 -10.753 -16.514 1.00 0.00 H new ATOM 820 N ASP A 56 0.057 -8.384 -13.068 1.00 0.00 N ATOM 821 CA ASP A 56 0.006 -7.030 -12.529 1.00 0.00 C ATOM 822 C ASP A 56 -1.143 -6.241 -13.147 1.00 0.00 C ATOM 823 O ASP A 56 -1.533 -5.190 -12.638 1.00 0.00 O ATOM 824 CB ASP A 56 1.331 -6.308 -12.781 1.00 0.00 C ATOM 825 CG ASP A 56 1.535 -5.968 -14.244 1.00 0.00 C ATOM 826 OD1 ASP A 56 1.411 -6.879 -15.089 1.00 0.00 O ATOM 827 OD2 ASP A 56 1.818 -4.789 -14.544 1.00 0.00 O ATOM 0 H ASP A 56 0.962 -8.650 -13.456 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.163 -7.100 -11.454 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.361 -5.392 -12.191 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.154 -6.935 -12.438 1.00 0.00 H new ATOM 832 N SER A 57 -1.681 -6.754 -14.249 1.00 0.00 N ATOM 833 CA SER A 57 -2.783 -6.095 -14.941 1.00 0.00 C ATOM 834 C SER A 57 -3.966 -5.885 -14.000 1.00 0.00 C ATOM 835 O SER A 57 -4.895 -5.139 -14.310 1.00 0.00 O ATOM 836 CB SER A 57 -3.220 -6.921 -16.152 1.00 0.00 C ATOM 837 OG SER A 57 -4.043 -6.160 -17.018 1.00 0.00 O ATOM 0 H SER A 57 -1.372 -7.624 -14.682 1.00 0.00 H new ATOM 0 HA SER A 57 -2.435 -5.120 -15.283 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.341 -7.270 -16.694 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.760 -7.806 -15.817 1.00 0.00 H new ATOM 0 HG SER A 57 -4.530 -5.486 -16.499 1.00 0.00 H new ATOM 843 N ASP A 58 -3.925 -6.550 -12.851 1.00 0.00 N ATOM 844 CA ASP A 58 -4.993 -6.436 -11.864 1.00 0.00 C ATOM 845 C ASP A 58 -4.630 -5.421 -10.785 1.00 0.00 C ATOM 846 O ASP A 58 -5.498 -4.731 -10.250 1.00 0.00 O ATOM 847 CB ASP A 58 -5.273 -7.798 -11.226 1.00 0.00 C ATOM 848 CG ASP A 58 -5.904 -8.774 -12.199 1.00 0.00 C ATOM 849 OD1 ASP A 58 -5.154 -9.428 -12.953 1.00 0.00 O ATOM 850 OD2 ASP A 58 -7.148 -8.884 -12.208 1.00 0.00 O ATOM 0 H ASP A 58 -3.164 -7.173 -12.580 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.891 -6.090 -12.375 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.341 -8.218 -10.848 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.933 -7.666 -10.369 1.00 0.00 H new ATOM 855 N TYR A 59 -3.342 -5.335 -10.470 1.00 0.00 N ATOM 856 CA TYR A 59 -2.864 -4.406 -9.453 1.00 0.00 C ATOM 857 C TYR A 59 -3.554 -3.051 -9.585 1.00 0.00 C ATOM 858 O TYR A 59 -3.490 -2.408 -10.632 1.00 0.00 O ATOM 859 CB TYR A 59 -1.349 -4.232 -9.563 1.00 0.00 C ATOM 860 CG TYR A 59 -0.564 -5.215 -8.724 1.00 0.00 C ATOM 861 CD1 TYR A 59 -0.901 -5.450 -7.397 1.00 0.00 C ATOM 862 CD2 TYR A 59 0.516 -5.908 -9.258 1.00 0.00 C ATOM 863 CE1 TYR A 59 -0.186 -6.347 -6.626 1.00 0.00 C ATOM 864 CE2 TYR A 59 1.235 -6.807 -8.496 1.00 0.00 C ATOM 865 CZ TYR A 59 0.880 -7.023 -7.180 1.00 0.00 C ATOM 866 OH TYR A 59 1.595 -7.918 -6.417 1.00 0.00 O ATOM 0 H TYR A 59 -2.610 -5.898 -10.904 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.105 -4.822 -8.475 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -1.054 -4.341 -10.607 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -1.085 -3.218 -9.262 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.736 -4.923 -6.960 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.798 -5.740 -10.287 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.461 -6.517 -5.596 1.00 0.00 H new ATOM 0 HE2 TYR A 59 2.071 -7.338 -8.927 1.00 0.00 H new ATOM 0 HH TYR A 59 2.313 -8.309 -6.958 1.00 0.00 H new ATOM 876 N LYS A 60 -4.214 -2.624 -8.513 1.00 0.00 N ATOM 877 CA LYS A 60 -4.915 -1.346 -8.505 1.00 0.00 C ATOM 878 C LYS A 60 -4.012 -0.233 -7.981 1.00 0.00 C ATOM 879 O LYS A 60 -2.831 -0.452 -7.713 1.00 0.00 O ATOM 880 CB LYS A 60 -6.178 -1.439 -7.647 1.00 0.00 C ATOM 881 CG LYS A 60 -7.356 -2.075 -8.365 1.00 0.00 C ATOM 882 CD LYS A 60 -8.524 -2.308 -7.422 1.00 0.00 C ATOM 883 CE LYS A 60 -9.405 -1.073 -7.309 1.00 0.00 C ATOM 884 NZ LYS A 60 -10.503 -1.080 -8.315 1.00 0.00 N ATOM 0 H LYS A 60 -4.278 -3.145 -7.638 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.197 -1.108 -9.531 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.956 -2.016 -6.750 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.460 -0.438 -7.320 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.673 -1.432 -9.186 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.047 -3.024 -8.804 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.119 -3.149 -7.779 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.148 -2.579 -6.436 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.831 -1.021 -6.307 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.796 -0.179 -7.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.080 -0.222 -8.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.097 -1.103 -9.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.100 -1.920 -8.172 1.00 0.00 H new ATOM 898 N LYS A 61 -4.577 0.961 -7.835 1.00 0.00 N ATOM 899 CA LYS A 61 -3.824 2.107 -7.339 1.00 0.00 C ATOM 900 C LYS A 61 -4.703 2.998 -6.466 1.00 0.00 C ATOM 901 O LYS A 61 -5.791 3.403 -6.874 1.00 0.00 O ATOM 902 CB LYS A 61 -3.261 2.918 -8.509 1.00 0.00 C ATOM 903 CG LYS A 61 -2.270 3.988 -8.086 1.00 0.00 C ATOM 904 CD LYS A 61 -1.330 4.358 -9.222 1.00 0.00 C ATOM 905 CE LYS A 61 -1.939 5.418 -10.126 1.00 0.00 C ATOM 906 NZ LYS A 61 -1.076 5.704 -11.305 1.00 0.00 N ATOM 0 H LYS A 61 -5.553 1.160 -8.053 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.999 1.734 -6.733 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.774 2.240 -9.209 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.086 3.389 -9.044 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.810 4.875 -7.756 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.690 3.632 -7.234 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.389 4.725 -8.812 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.098 3.469 -9.808 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.920 5.085 -10.466 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.093 6.335 -9.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.526 6.432 -11.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.148 6.046 -10.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.950 4.835 -11.862 1.00 0.00 H new ATOM 920 N ASP A 62 -4.222 3.300 -5.265 1.00 0.00 N ATOM 921 CA ASP A 62 -4.962 4.145 -4.336 1.00 0.00 C ATOM 922 C ASP A 62 -4.115 5.332 -3.887 1.00 0.00 C ATOM 923 O ASP A 62 -3.116 5.165 -3.188 1.00 0.00 O ATOM 924 CB ASP A 62 -5.409 3.333 -3.119 1.00 0.00 C ATOM 925 CG ASP A 62 -6.752 2.663 -3.331 1.00 0.00 C ATOM 926 OD1 ASP A 62 -7.066 2.317 -4.489 1.00 0.00 O ATOM 927 OD2 ASP A 62 -7.491 2.486 -2.340 1.00 0.00 O ATOM 0 H ASP A 62 -3.323 2.972 -4.912 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.843 4.525 -4.853 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.659 2.574 -2.897 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.466 3.988 -2.250 1.00 0.00 H new ATOM 932 N MET A 63 -4.521 6.530 -4.296 1.00 0.00 N ATOM 933 CA MET A 63 -3.798 7.745 -3.936 1.00 0.00 C ATOM 934 C MET A 63 -4.168 8.200 -2.528 1.00 0.00 C ATOM 935 O MET A 63 -5.332 8.141 -2.131 1.00 0.00 O ATOM 936 CB MET A 63 -4.099 8.859 -4.940 1.00 0.00 C ATOM 937 CG MET A 63 -2.964 9.858 -5.097 1.00 0.00 C ATOM 938 SD MET A 63 -3.535 11.478 -5.643 1.00 0.00 S ATOM 939 CE MET A 63 -3.761 12.305 -4.071 1.00 0.00 C ATOM 0 H MET A 63 -5.345 6.685 -4.876 1.00 0.00 H new ATOM 0 HA MET A 63 -2.731 7.524 -3.959 1.00 0.00 H new ATOM 0 HB2 MET A 63 -4.317 8.413 -5.911 1.00 0.00 H new ATOM 0 HB3 MET A 63 -4.998 9.389 -4.624 1.00 0.00 H new ATOM 0 HG2 MET A 63 -2.443 9.963 -4.145 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.241 9.471 -5.815 1.00 0.00 H new ATOM 0 HE1 MET A 63 -4.113 13.322 -4.242 1.00 0.00 H new ATOM 0 HE2 MET A 63 -4.495 11.762 -3.476 1.00 0.00 H new ATOM 0 HE3 MET A 63 -2.812 12.335 -3.536 1.00 0.00 H new ATOM 949 N VAL A 64 -3.170 8.654 -1.776 1.00 0.00 N ATOM 950 CA VAL A 64 -3.391 9.120 -0.412 1.00 0.00 C ATOM 951 C VAL A 64 -2.560 10.362 -0.114 1.00 0.00 C ATOM 952 O VAL A 64 -1.419 10.479 -0.561 1.00 0.00 O ATOM 953 CB VAL A 64 -3.048 8.026 0.617 1.00 0.00 C ATOM 954 CG1 VAL A 64 -3.563 8.410 1.996 1.00 0.00 C ATOM 955 CG2 VAL A 64 -3.618 6.686 0.180 1.00 0.00 C ATOM 0 H VAL A 64 -2.201 8.709 -2.088 1.00 0.00 H new ATOM 0 HA VAL A 64 -4.449 9.367 -0.329 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.964 7.932 0.674 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.312 7.625 2.710 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.102 9.347 2.309 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.645 8.533 1.959 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.366 5.925 0.919 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.702 6.763 0.093 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.195 6.408 -0.786 1.00 0.00 H new ATOM 965 N GLU A 65 -3.139 11.288 0.644 1.00 0.00 N ATOM 966 CA GLU A 65 -2.450 12.522 1.001 1.00 0.00 C ATOM 967 C GLU A 65 -0.980 12.256 1.309 1.00 0.00 C ATOM 968 O GLU A 65 -0.623 11.191 1.813 1.00 0.00 O ATOM 969 CB GLU A 65 -3.125 13.178 2.208 1.00 0.00 C ATOM 970 CG GLU A 65 -4.638 13.249 2.095 1.00 0.00 C ATOM 971 CD GLU A 65 -5.232 14.375 2.920 1.00 0.00 C ATOM 972 OE1 GLU A 65 -4.774 14.576 4.065 1.00 0.00 O ATOM 973 OE2 GLU A 65 -6.154 15.053 2.422 1.00 0.00 O ATOM 0 H GLU A 65 -4.083 11.207 1.022 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.507 13.199 0.149 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.862 12.621 3.108 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.731 14.187 2.330 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.915 13.384 1.049 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.068 12.301 2.418 1.00 0.00 H new ATOM 980 N GLY A 66 -0.130 13.231 1.001 1.00 0.00 N ATOM 981 CA GLY A 66 1.292 13.083 1.251 1.00 0.00 C ATOM 982 C GLY A 66 1.625 13.094 2.729 1.00 0.00 C ATOM 983 O GLY A 66 2.663 12.578 3.143 1.00 0.00 O ATOM 0 H GLY A 66 -0.401 14.121 0.583 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.640 12.149 0.810 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.831 13.890 0.754 1.00 0.00 H new ATOM 987 N ASP A 67 0.744 13.686 3.528 1.00 0.00 N ATOM 988 CA ASP A 67 0.950 13.764 4.970 1.00 0.00 C ATOM 989 C ASP A 67 0.368 12.539 5.669 1.00 0.00 C ATOM 990 O ASP A 67 0.654 12.286 6.839 1.00 0.00 O ATOM 991 CB ASP A 67 0.313 15.037 5.529 1.00 0.00 C ATOM 992 CG ASP A 67 0.377 15.099 7.043 1.00 0.00 C ATOM 993 OD1 ASP A 67 1.500 15.146 7.588 1.00 0.00 O ATOM 994 OD2 ASP A 67 -0.696 15.102 7.682 1.00 0.00 O ATOM 0 H ASP A 67 -0.120 14.119 3.202 1.00 0.00 H new ATOM 0 HA ASP A 67 2.023 13.791 5.158 1.00 0.00 H new ATOM 0 HB2 ASP A 67 0.819 15.907 5.111 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.728 15.090 5.210 1.00 0.00 H new ATOM 999 N ARG A 68 -0.450 11.783 4.944 1.00 0.00 N ATOM 1000 CA ARG A 68 -1.074 10.587 5.495 1.00 0.00 C ATOM 1001 C ARG A 68 -0.121 9.397 5.429 1.00 0.00 C ATOM 1002 O ARG A 68 0.452 9.105 4.378 1.00 0.00 O ATOM 1003 CB ARG A 68 -2.363 10.263 4.738 1.00 0.00 C ATOM 1004 CG ARG A 68 -3.328 9.391 5.524 1.00 0.00 C ATOM 1005 CD ARG A 68 -4.289 10.229 6.353 1.00 0.00 C ATOM 1006 NE ARG A 68 -5.547 9.531 6.605 1.00 0.00 N ATOM 1007 CZ ARG A 68 -6.433 9.247 5.657 1.00 0.00 C ATOM 1008 NH1 ARG A 68 -6.199 9.600 4.400 1.00 0.00 N ATOM 1009 NH2 ARG A 68 -7.555 8.609 5.964 1.00 0.00 N ATOM 0 H ARG A 68 -0.696 11.978 3.973 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.314 10.782 6.540 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.862 11.195 4.472 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.110 9.760 3.805 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.893 8.761 4.837 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.767 8.725 6.179 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.820 10.485 7.303 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.492 11.166 5.835 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.757 9.246 7.562 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.337 10.090 4.160 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.881 9.381 3.673 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.738 8.336 6.929 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.234 8.392 5.235 1.00 0.00 H new ATOM 1023 N TYR A 69 0.045 8.714 6.556 1.00 0.00 N ATOM 1024 CA TYR A 69 0.930 7.559 6.627 1.00 0.00 C ATOM 1025 C TYR A 69 0.144 6.287 6.930 1.00 0.00 C ATOM 1026 O TYR A 69 0.715 5.268 7.319 1.00 0.00 O ATOM 1027 CB TYR A 69 2.002 7.776 7.697 1.00 0.00 C ATOM 1028 CG TYR A 69 3.209 8.539 7.199 1.00 0.00 C ATOM 1029 CD1 TYR A 69 3.061 9.678 6.417 1.00 0.00 C ATOM 1030 CD2 TYR A 69 4.497 8.121 7.512 1.00 0.00 C ATOM 1031 CE1 TYR A 69 4.161 10.378 5.959 1.00 0.00 C ATOM 1032 CE2 TYR A 69 5.602 8.816 7.060 1.00 0.00 C ATOM 1033 CZ TYR A 69 5.429 9.943 6.284 1.00 0.00 C ATOM 1034 OH TYR A 69 6.527 10.638 5.831 1.00 0.00 O ATOM 0 H TYR A 69 -0.423 8.941 7.434 1.00 0.00 H new ATOM 0 HA TYR A 69 1.412 7.444 5.656 1.00 0.00 H new ATOM 0 HB2 TYR A 69 1.562 8.316 8.536 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.326 6.807 8.076 1.00 0.00 H new ATOM 0 HD1 TYR A 69 2.069 10.022 6.163 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.636 7.238 8.119 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.029 11.260 5.350 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.596 8.479 7.313 1.00 0.00 H new ATOM 0 HH TYR A 69 7.133 10.817 6.580 1.00 0.00 H new ATOM 1044 N TRP A 70 -1.170 6.355 6.749 1.00 0.00 N ATOM 1045 CA TRP A 70 -2.037 5.210 7.002 1.00 0.00 C ATOM 1046 C TRP A 70 -3.190 5.169 6.006 1.00 0.00 C ATOM 1047 O TRP A 70 -3.649 6.208 5.530 1.00 0.00 O ATOM 1048 CB TRP A 70 -2.582 5.262 8.430 1.00 0.00 C ATOM 1049 CG TRP A 70 -3.602 6.340 8.637 1.00 0.00 C ATOM 1050 CD1 TRP A 70 -3.374 7.686 8.691 1.00 0.00 C ATOM 1051 CD2 TRP A 70 -5.011 6.163 8.820 1.00 0.00 C ATOM 1052 NE1 TRP A 70 -4.556 8.355 8.897 1.00 0.00 N ATOM 1053 CE2 TRP A 70 -5.575 7.444 8.978 1.00 0.00 C ATOM 1054 CE3 TRP A 70 -5.851 5.047 8.863 1.00 0.00 C ATOM 1055 CZ2 TRP A 70 -6.940 7.637 9.177 1.00 0.00 C ATOM 1056 CZ3 TRP A 70 -7.205 5.240 9.061 1.00 0.00 C ATOM 1057 CH2 TRP A 70 -7.739 6.527 9.216 1.00 0.00 C ATOM 0 H TRP A 70 -1.658 7.191 6.428 1.00 0.00 H new ATOM 0 HA TRP A 70 -1.444 4.304 6.880 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.027 4.298 8.677 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -1.754 5.417 9.122 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -2.407 8.155 8.587 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -4.658 9.367 8.977 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -5.449 4.052 8.744 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -7.353 8.628 9.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -7.863 4.385 9.097 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -8.802 6.645 9.369 1.00 0.00 H new ATOM 1068 N HIS A 71 -3.656 3.964 5.694 1.00 0.00 N ATOM 1069 CA HIS A 71 -4.757 3.789 4.755 1.00 0.00 C ATOM 1070 C HIS A 71 -5.439 2.439 4.961 1.00 0.00 C ATOM 1071 O HIS A 71 -4.779 1.401 5.006 1.00 0.00 O ATOM 1072 CB HIS A 71 -4.252 3.903 3.316 1.00 0.00 C ATOM 1073 CG HIS A 71 -5.343 3.855 2.292 1.00 0.00 C ATOM 1074 ND1 HIS A 71 -6.322 4.821 2.189 1.00 0.00 N ATOM 1075 CD2 HIS A 71 -5.606 2.950 1.320 1.00 0.00 C ATOM 1076 CE1 HIS A 71 -7.140 4.511 1.199 1.00 0.00 C ATOM 1077 NE2 HIS A 71 -6.728 3.380 0.656 1.00 0.00 N ATOM 0 H HIS A 71 -3.288 3.094 6.078 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.487 4.577 4.940 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -3.703 4.838 3.206 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -3.547 3.094 3.122 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -5.039 2.056 1.107 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -8.000 5.085 0.887 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -7.171 2.903 -0.129 1.00 0.00 H new ATOM 1086 N SER A 72 -6.762 2.463 5.086 1.00 0.00 N ATOM 1087 CA SER A 72 -7.532 1.241 5.292 1.00 0.00 C ATOM 1088 C SER A 72 -8.196 0.792 3.994 1.00 0.00 C ATOM 1089 O SER A 72 -9.221 1.340 3.588 1.00 0.00 O ATOM 1090 CB SER A 72 -8.592 1.459 6.373 1.00 0.00 C ATOM 1091 OG SER A 72 -9.728 2.124 5.847 1.00 0.00 O ATOM 0 H SER A 72 -7.323 3.314 5.048 1.00 0.00 H new ATOM 0 HA SER A 72 -6.847 0.458 5.618 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.891 0.498 6.793 1.00 0.00 H new ATOM 0 HB3 SER A 72 -8.169 2.045 7.189 1.00 0.00 H new ATOM 0 HG SER A 72 -10.119 1.585 5.128 1.00 0.00 H new ATOM 1097 N ILE A 73 -7.604 -0.207 3.349 1.00 0.00 N ATOM 1098 CA ILE A 73 -8.139 -0.731 2.099 1.00 0.00 C ATOM 1099 C ILE A 73 -9.458 -1.461 2.327 1.00 0.00 C ATOM 1100 O ILE A 73 -9.730 -1.944 3.426 1.00 0.00 O ATOM 1101 CB ILE A 73 -7.144 -1.692 1.420 1.00 0.00 C ATOM 1102 CG1 ILE A 73 -5.767 -1.036 1.304 1.00 0.00 C ATOM 1103 CG2 ILE A 73 -7.658 -2.104 0.048 1.00 0.00 C ATOM 1104 CD1 ILE A 73 -4.644 -2.025 1.083 1.00 0.00 C ATOM 0 H ILE A 73 -6.754 -0.670 3.671 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.309 0.125 1.446 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.049 -2.587 2.035 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.781 -0.324 0.479 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.566 -0.468 2.212 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.944 -2.783 -0.419 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.620 -2.606 0.155 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.779 -1.219 -0.576 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.697 -1.490 1.010 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.603 -2.722 1.920 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.821 -2.576 0.160 1.00 0.00 H new ATOM 1116 N SER A 74 -10.274 -1.539 1.281 1.00 0.00 N ATOM 1117 CA SER A 74 -11.566 -2.209 1.367 1.00 0.00 C ATOM 1118 C SER A 74 -11.904 -2.910 0.055 1.00 0.00 C ATOM 1119 O SER A 74 -11.119 -2.888 -0.894 1.00 0.00 O ATOM 1120 CB SER A 74 -12.664 -1.202 1.717 1.00 0.00 C ATOM 1121 OG SER A 74 -12.206 -0.260 2.672 1.00 0.00 O ATOM 0 H SER A 74 -10.063 -1.146 0.364 1.00 0.00 H new ATOM 0 HA SER A 74 -11.506 -2.960 2.155 1.00 0.00 H new ATOM 0 HB2 SER A 74 -12.986 -0.682 0.815 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.534 -1.729 2.109 1.00 0.00 H new ATOM 0 HG SER A 74 -12.925 0.373 2.878 1.00 0.00 H new ATOM 1127 N HIS A 75 -13.077 -3.533 0.009 1.00 0.00 N ATOM 1128 CA HIS A 75 -13.520 -4.242 -1.186 1.00 0.00 C ATOM 1129 C HIS A 75 -12.505 -5.304 -1.596 1.00 0.00 C ATOM 1130 O HIS A 75 -12.084 -5.363 -2.752 1.00 0.00 O ATOM 1131 CB HIS A 75 -13.738 -3.258 -2.336 1.00 0.00 C ATOM 1132 CG HIS A 75 -14.960 -2.407 -2.173 1.00 0.00 C ATOM 1133 ND1 HIS A 75 -15.601 -1.800 -3.232 1.00 0.00 N ATOM 1134 CD2 HIS A 75 -15.658 -2.064 -1.065 1.00 0.00 C ATOM 1135 CE1 HIS A 75 -16.641 -1.119 -2.782 1.00 0.00 C ATOM 1136 NE2 HIS A 75 -16.698 -1.263 -1.471 1.00 0.00 N ATOM 0 H HIS A 75 -13.738 -3.561 0.785 1.00 0.00 H new ATOM 0 HA HIS A 75 -14.464 -4.737 -0.956 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -12.864 -2.612 -2.421 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -13.815 -3.815 -3.270 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -15.438 -2.364 -0.051 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -17.327 -0.543 -3.385 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -17.400 -0.847 -0.859 1.00 0.00 H new ATOM 1145 N LEU A 76 -12.114 -6.141 -0.641 1.00 0.00 N ATOM 1146 CA LEU A 76 -11.147 -7.202 -0.902 1.00 0.00 C ATOM 1147 C LEU A 76 -11.790 -8.576 -0.746 1.00 0.00 C ATOM 1148 O LEU A 76 -12.994 -8.685 -0.515 1.00 0.00 O ATOM 1149 CB LEU A 76 -9.953 -7.074 0.045 1.00 0.00 C ATOM 1150 CG LEU A 76 -9.333 -5.681 0.161 1.00 0.00 C ATOM 1151 CD1 LEU A 76 -8.653 -5.509 1.510 1.00 0.00 C ATOM 1152 CD2 LEU A 76 -8.345 -5.441 -0.971 1.00 0.00 C ATOM 0 H LEU A 76 -12.452 -6.106 0.321 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.800 -7.099 -1.930 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.267 -7.393 1.039 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.179 -7.768 -0.283 1.00 0.00 H new ATOM 0 HG LEU A 76 -10.131 -4.942 0.083 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.218 -4.512 1.574 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.387 -5.636 2.306 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.866 -6.256 1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.914 -4.445 -0.872 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.551 -6.186 -0.925 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.862 -5.520 -1.928 1.00 0.00 H new ATOM 1164 N GLN A 77 -10.979 -9.621 -0.872 1.00 0.00 N ATOM 1165 CA GLN A 77 -11.470 -10.988 -0.743 1.00 0.00 C ATOM 1166 C GLN A 77 -11.235 -11.520 0.667 1.00 0.00 C ATOM 1167 O GLN A 77 -10.201 -11.271 1.287 1.00 0.00 O ATOM 1168 CB GLN A 77 -10.783 -11.897 -1.764 1.00 0.00 C ATOM 1169 CG GLN A 77 -10.781 -11.333 -3.176 1.00 0.00 C ATOM 1170 CD GLN A 77 -9.772 -10.216 -3.356 1.00 0.00 C ATOM 1171 OE1 GLN A 77 -8.867 -10.043 -2.539 1.00 0.00 O ATOM 1172 NE2 GLN A 77 -9.922 -9.451 -4.431 1.00 0.00 N ATOM 0 H GLN A 77 -9.980 -9.548 -1.063 1.00 0.00 H new ATOM 0 HA GLN A 77 -12.543 -10.982 -0.936 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -9.754 -12.070 -1.449 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -11.282 -12.866 -1.769 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -10.561 -12.133 -3.883 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -11.777 -10.960 -3.416 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -10.687 -9.630 -5.082 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -9.273 -8.684 -4.606 1.00 0.00 H new ATOM 1181 N PRO A 78 -12.218 -12.269 1.189 1.00 0.00 N ATOM 1182 CA PRO A 78 -12.142 -12.851 2.532 1.00 0.00 C ATOM 1183 C PRO A 78 -11.109 -13.970 2.621 1.00 0.00 C ATOM 1184 O PRO A 78 -10.862 -14.677 1.645 1.00 0.00 O ATOM 1185 CB PRO A 78 -13.550 -13.406 2.759 1.00 0.00 C ATOM 1186 CG PRO A 78 -14.081 -13.663 1.391 1.00 0.00 C ATOM 1187 CD PRO A 78 -13.479 -12.606 0.507 1.00 0.00 C ATOM 0 HA PRO A 78 -11.833 -12.117 3.277 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -13.524 -14.320 3.352 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -14.174 -12.694 3.299 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -13.808 -14.661 1.048 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -15.170 -13.609 1.378 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.303 -12.978 -0.502 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -14.132 -11.738 0.417 1.00 0.00 H new ATOM 1195 N GLU A 79 -10.509 -14.123 3.797 1.00 0.00 N ATOM 1196 CA GLU A 79 -9.502 -15.156 4.012 1.00 0.00 C ATOM 1197 C GLU A 79 -8.682 -15.388 2.746 1.00 0.00 C ATOM 1198 O GLU A 79 -8.352 -16.524 2.406 1.00 0.00 O ATOM 1199 CB GLU A 79 -10.166 -16.463 4.450 1.00 0.00 C ATOM 1200 CG GLU A 79 -11.557 -16.663 3.872 1.00 0.00 C ATOM 1201 CD GLU A 79 -12.116 -18.042 4.160 1.00 0.00 C ATOM 1202 OE1 GLU A 79 -11.783 -18.607 5.223 1.00 0.00 O ATOM 1203 OE2 GLU A 79 -12.886 -18.558 3.323 1.00 0.00 O ATOM 0 H GLU A 79 -10.702 -13.545 4.615 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.831 -14.816 4.801 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -9.534 -17.299 4.152 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.228 -16.482 5.538 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.229 -15.910 4.283 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.524 -16.506 2.794 1.00 0.00 H new ATOM 1210 N THR A 80 -8.357 -14.302 2.052 1.00 0.00 N ATOM 1211 CA THR A 80 -7.578 -14.386 0.823 1.00 0.00 C ATOM 1212 C THR A 80 -6.171 -13.835 1.026 1.00 0.00 C ATOM 1213 O THR A 80 -5.973 -12.622 1.098 1.00 0.00 O ATOM 1214 CB THR A 80 -8.257 -13.617 -0.326 1.00 0.00 C ATOM 1215 OG1 THR A 80 -9.599 -14.083 -0.501 1.00 0.00 O ATOM 1216 CG2 THR A 80 -7.482 -13.789 -1.624 1.00 0.00 C ATOM 0 H THR A 80 -8.621 -13.354 2.320 1.00 0.00 H new ATOM 0 HA THR A 80 -7.518 -15.442 0.558 1.00 0.00 H new ATOM 0 HB THR A 80 -8.271 -12.558 -0.067 1.00 0.00 H new ATOM 0 HG1 THR A 80 -10.093 -13.981 0.339 1.00 0.00 H new ATOM 0 HG21 THR A 80 -7.980 -13.237 -2.421 1.00 0.00 H new ATOM 0 HG22 THR A 80 -6.469 -13.407 -1.496 1.00 0.00 H new ATOM 0 HG23 THR A 80 -7.441 -14.846 -1.886 1.00 0.00 H new ATOM 1224 N SER A 81 -5.196 -14.734 1.116 1.00 0.00 N ATOM 1225 CA SER A 81 -3.806 -14.338 1.313 1.00 0.00 C ATOM 1226 C SER A 81 -3.194 -13.835 0.009 1.00 0.00 C ATOM 1227 O SER A 81 -2.828 -14.624 -0.862 1.00 0.00 O ATOM 1228 CB SER A 81 -2.990 -15.514 1.853 1.00 0.00 C ATOM 1229 OG SER A 81 -1.914 -15.061 2.656 1.00 0.00 O ATOM 0 H SER A 81 -5.343 -15.742 1.056 1.00 0.00 H new ATOM 0 HA SER A 81 -3.785 -13.526 2.040 1.00 0.00 H new ATOM 0 HB2 SER A 81 -3.634 -16.169 2.439 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.604 -16.105 1.022 1.00 0.00 H new ATOM 0 HG SER A 81 -1.409 -15.831 2.991 1.00 0.00 H new ATOM 1235 N TYR A 82 -3.087 -12.517 -0.117 1.00 0.00 N ATOM 1236 CA TYR A 82 -2.522 -11.907 -1.315 1.00 0.00 C ATOM 1237 C TYR A 82 -1.428 -10.907 -0.953 1.00 0.00 C ATOM 1238 O TYR A 82 -1.432 -10.333 0.136 1.00 0.00 O ATOM 1239 CB TYR A 82 -3.618 -11.211 -2.124 1.00 0.00 C ATOM 1240 CG TYR A 82 -4.555 -10.377 -1.280 1.00 0.00 C ATOM 1241 CD1 TYR A 82 -4.106 -9.233 -0.632 1.00 0.00 C ATOM 1242 CD2 TYR A 82 -5.890 -10.733 -1.131 1.00 0.00 C ATOM 1243 CE1 TYR A 82 -4.959 -8.468 0.140 1.00 0.00 C ATOM 1244 CE2 TYR A 82 -6.750 -9.973 -0.362 1.00 0.00 C ATOM 1245 CZ TYR A 82 -6.280 -8.842 0.271 1.00 0.00 C ATOM 1246 OH TYR A 82 -7.133 -8.083 1.039 1.00 0.00 O ATOM 0 H TYR A 82 -3.384 -11.850 0.596 1.00 0.00 H new ATOM 0 HA TYR A 82 -2.080 -12.698 -1.921 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -3.154 -10.573 -2.875 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.197 -11.964 -2.659 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.072 -8.937 -0.733 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -6.261 -11.619 -1.625 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.593 -7.582 0.638 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -7.785 -10.263 -0.257 1.00 0.00 H new ATOM 0 HH TYR A 82 -8.035 -8.465 1.001 1.00 0.00 H new ATOM 1256 N ASP A 83 -0.493 -10.705 -1.875 1.00 0.00 N ATOM 1257 CA ASP A 83 0.608 -9.773 -1.655 1.00 0.00 C ATOM 1258 C ASP A 83 0.116 -8.330 -1.704 1.00 0.00 C ATOM 1259 O ASP A 83 -0.882 -8.026 -2.359 1.00 0.00 O ATOM 1260 CB ASP A 83 1.702 -9.988 -2.702 1.00 0.00 C ATOM 1261 CG ASP A 83 2.548 -11.212 -2.412 1.00 0.00 C ATOM 1262 OD1 ASP A 83 3.445 -11.123 -1.547 1.00 0.00 O ATOM 1263 OD2 ASP A 83 2.313 -12.259 -3.050 1.00 0.00 O ATOM 0 H ASP A 83 -0.475 -11.173 -2.781 1.00 0.00 H new ATOM 0 HA ASP A 83 1.021 -9.963 -0.664 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.244 -10.091 -3.686 1.00 0.00 H new ATOM 0 HB3 ASP A 83 2.343 -9.107 -2.740 1.00 0.00 H new ATOM 1268 N ILE A 84 0.821 -7.446 -1.007 1.00 0.00 N ATOM 1269 CA ILE A 84 0.456 -6.035 -0.971 1.00 0.00 C ATOM 1270 C ILE A 84 1.693 -5.145 -1.031 1.00 0.00 C ATOM 1271 O ILE A 84 2.689 -5.401 -0.353 1.00 0.00 O ATOM 1272 CB ILE A 84 -0.348 -5.694 0.297 1.00 0.00 C ATOM 1273 CG1 ILE A 84 -1.622 -6.538 0.363 1.00 0.00 C ATOM 1274 CG2 ILE A 84 -0.687 -4.211 0.327 1.00 0.00 C ATOM 1275 CD1 ILE A 84 -2.115 -6.780 1.772 1.00 0.00 C ATOM 0 H ILE A 84 1.649 -7.682 -0.459 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.166 -5.847 -1.846 1.00 0.00 H new ATOM 0 HB ILE A 84 0.264 -5.925 1.169 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.407 -6.041 -0.207 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.437 -7.498 -0.118 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.255 -3.986 1.229 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.233 -3.627 0.323 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.282 -3.956 -0.550 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.021 -7.385 1.742 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.347 -7.305 2.341 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.332 -5.825 2.250 1.00 0.00 H new ATOM 1287 N LYS A 85 1.622 -4.097 -1.844 1.00 0.00 N ATOM 1288 CA LYS A 85 2.735 -3.166 -1.991 1.00 0.00 C ATOM 1289 C LYS A 85 2.230 -1.759 -2.297 1.00 0.00 C ATOM 1290 O LYS A 85 1.069 -1.572 -2.662 1.00 0.00 O ATOM 1291 CB LYS A 85 3.675 -3.634 -3.104 1.00 0.00 C ATOM 1292 CG LYS A 85 3.124 -3.410 -4.501 1.00 0.00 C ATOM 1293 CD LYS A 85 4.237 -3.322 -5.532 1.00 0.00 C ATOM 1294 CE LYS A 85 3.760 -3.768 -6.906 1.00 0.00 C ATOM 1295 NZ LYS A 85 3.950 -5.230 -7.112 1.00 0.00 N ATOM 0 H LYS A 85 0.805 -3.871 -2.412 1.00 0.00 H new ATOM 0 HA LYS A 85 3.282 -3.141 -1.048 1.00 0.00 H new ATOM 0 HB2 LYS A 85 4.626 -3.109 -3.009 1.00 0.00 H new ATOM 0 HB3 LYS A 85 3.882 -4.696 -2.970 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.449 -4.225 -4.762 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.537 -2.492 -4.519 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.603 -2.297 -5.588 1.00 0.00 H new ATOM 0 HD3 LYS A 85 5.076 -3.943 -5.218 1.00 0.00 H new ATOM 0 HE2 LYS A 85 2.705 -3.519 -7.023 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.304 -3.219 -7.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.716 -5.387 -7.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 4.198 -5.679 -6.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.069 -5.647 -7.475 1.00 0.00 H new ATOM 1309 N MET A 86 3.109 -0.774 -2.146 1.00 0.00 N ATOM 1310 CA MET A 86 2.752 0.615 -2.409 1.00 0.00 C ATOM 1311 C MET A 86 3.965 1.408 -2.882 1.00 0.00 C ATOM 1312 O MET A 86 5.086 0.900 -2.887 1.00 0.00 O ATOM 1313 CB MET A 86 2.165 1.260 -1.151 1.00 0.00 C ATOM 1314 CG MET A 86 3.092 1.197 0.052 1.00 0.00 C ATOM 1315 SD MET A 86 2.623 2.357 1.351 1.00 0.00 S ATOM 1316 CE MET A 86 2.463 3.873 0.409 1.00 0.00 C ATOM 0 H MET A 86 4.073 -0.912 -1.843 1.00 0.00 H new ATOM 0 HA MET A 86 2.001 0.628 -3.199 1.00 0.00 H new ATOM 0 HB2 MET A 86 1.929 2.303 -1.363 1.00 0.00 H new ATOM 0 HB3 MET A 86 1.226 0.765 -0.903 1.00 0.00 H new ATOM 0 HG2 MET A 86 3.089 0.185 0.456 1.00 0.00 H new ATOM 0 HG3 MET A 86 4.112 1.409 -0.268 1.00 0.00 H new ATOM 0 HE1 MET A 86 2.757 4.720 1.029 1.00 0.00 H new ATOM 0 HE2 MET A 86 3.107 3.825 -0.469 1.00 0.00 H new ATOM 0 HE3 MET A 86 1.427 3.997 0.093 1.00 0.00 H new ATOM 1326 N GLN A 87 3.734 2.655 -3.280 1.00 0.00 N ATOM 1327 CA GLN A 87 4.809 3.517 -3.756 1.00 0.00 C ATOM 1328 C GLN A 87 4.395 4.984 -3.703 1.00 0.00 C ATOM 1329 O GLN A 87 3.226 5.316 -3.901 1.00 0.00 O ATOM 1330 CB GLN A 87 5.201 3.137 -5.185 1.00 0.00 C ATOM 1331 CG GLN A 87 6.140 4.134 -5.845 1.00 0.00 C ATOM 1332 CD GLN A 87 6.092 4.068 -7.358 1.00 0.00 C ATOM 1333 OE1 GLN A 87 6.813 3.287 -7.980 1.00 0.00 O ATOM 1334 NE2 GLN A 87 5.240 4.889 -7.961 1.00 0.00 N ATOM 0 H GLN A 87 2.812 3.091 -3.282 1.00 0.00 H new ATOM 0 HA GLN A 87 5.669 3.377 -3.101 1.00 0.00 H new ATOM 0 HB2 GLN A 87 5.676 2.156 -5.174 1.00 0.00 H new ATOM 0 HB3 GLN A 87 4.298 3.047 -5.789 1.00 0.00 H new ATOM 0 HG2 GLN A 87 5.880 5.142 -5.521 1.00 0.00 H new ATOM 0 HG3 GLN A 87 7.159 3.944 -5.509 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.661 5.520 -7.407 1.00 0.00 H new ATOM 0 HE22 GLN A 87 5.164 4.888 -8.978 1.00 0.00 H new ATOM 1343 N CYS A 88 5.360 5.856 -3.435 1.00 0.00 N ATOM 1344 CA CYS A 88 5.096 7.288 -3.354 1.00 0.00 C ATOM 1345 C CYS A 88 5.396 7.972 -4.684 1.00 0.00 C ATOM 1346 O CYS A 88 6.079 7.412 -5.542 1.00 0.00 O ATOM 1347 CB CYS A 88 5.932 7.921 -2.241 1.00 0.00 C ATOM 1348 SG CYS A 88 7.666 8.185 -2.680 1.00 0.00 S ATOM 0 H CYS A 88 6.333 5.597 -3.270 1.00 0.00 H new ATOM 0 HA CYS A 88 4.039 7.425 -3.126 1.00 0.00 H new ATOM 0 HB2 CYS A 88 5.488 8.878 -1.967 1.00 0.00 H new ATOM 0 HB3 CYS A 88 5.885 7.283 -1.358 1.00 0.00 H new ATOM 0 HG CYS A 88 7.737 8.974 -3.710 1.00 0.00 H new ATOM 1354 N PHE A 89 4.881 9.186 -4.849 1.00 0.00 N ATOM 1355 CA PHE A 89 5.092 9.946 -6.076 1.00 0.00 C ATOM 1356 C PHE A 89 5.067 11.446 -5.797 1.00 0.00 C ATOM 1357 O PHE A 89 4.519 11.892 -4.790 1.00 0.00 O ATOM 1358 CB PHE A 89 4.023 9.590 -7.111 1.00 0.00 C ATOM 1359 CG PHE A 89 2.680 10.194 -6.818 1.00 0.00 C ATOM 1360 CD1 PHE A 89 1.910 9.725 -5.765 1.00 0.00 C ATOM 1361 CD2 PHE A 89 2.186 11.229 -7.595 1.00 0.00 C ATOM 1362 CE1 PHE A 89 0.674 10.279 -5.492 1.00 0.00 C ATOM 1363 CE2 PHE A 89 0.950 11.786 -7.326 1.00 0.00 C ATOM 1364 CZ PHE A 89 0.192 11.310 -6.274 1.00 0.00 C ATOM 0 H PHE A 89 4.315 9.665 -4.149 1.00 0.00 H new ATOM 0 HA PHE A 89 6.073 9.684 -6.473 1.00 0.00 H new ATOM 0 HB2 PHE A 89 4.355 9.923 -8.094 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.922 8.506 -7.159 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.280 8.917 -5.151 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.773 11.605 -8.420 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.085 9.906 -4.667 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.577 12.594 -7.938 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.775 11.743 -6.064 1.00 0.00 H new ATOM 1374 N ASN A 90 5.666 12.219 -6.697 1.00 0.00 N ATOM 1375 CA ASN A 90 5.714 13.669 -6.549 1.00 0.00 C ATOM 1376 C ASN A 90 6.037 14.341 -7.880 1.00 0.00 C ATOM 1377 O ASN A 90 6.409 13.678 -8.847 1.00 0.00 O ATOM 1378 CB ASN A 90 6.757 14.060 -5.500 1.00 0.00 C ATOM 1379 CG ASN A 90 8.135 14.261 -6.102 1.00 0.00 C ATOM 1380 OD1 ASN A 90 8.450 13.710 -7.157 1.00 0.00 O ATOM 1381 ND2 ASN A 90 8.964 15.053 -5.431 1.00 0.00 N ATOM 0 H ASN A 90 6.125 11.865 -7.537 1.00 0.00 H new ATOM 0 HA ASN A 90 4.732 14.009 -6.220 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.443 14.978 -5.004 1.00 0.00 H new ATOM 0 HB3 ASN A 90 6.807 13.285 -4.735 1.00 0.00 H new ATOM 0 HD21 ASN A 90 9.904 15.225 -5.786 1.00 0.00 H new ATOM 0 HD22 ASN A 90 8.660 15.489 -4.560 1.00 0.00 H new ATOM 1388 N GLU A 91 5.893 15.662 -7.919 1.00 0.00 N ATOM 1389 CA GLU A 91 6.170 16.424 -9.132 1.00 0.00 C ATOM 1390 C GLU A 91 7.386 15.862 -9.862 1.00 0.00 C ATOM 1391 O GLU A 91 7.410 15.796 -11.091 1.00 0.00 O ATOM 1392 CB GLU A 91 6.402 17.898 -8.792 1.00 0.00 C ATOM 1393 CG GLU A 91 6.744 18.754 -10.000 1.00 0.00 C ATOM 1394 CD GLU A 91 6.693 20.239 -9.696 1.00 0.00 C ATOM 1395 OE1 GLU A 91 6.866 20.608 -8.516 1.00 0.00 O ATOM 1396 OE2 GLU A 91 6.479 21.031 -10.638 1.00 0.00 O ATOM 0 H GLU A 91 5.587 16.226 -7.126 1.00 0.00 H new ATOM 0 HA GLU A 91 5.304 16.341 -9.788 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.507 18.298 -8.316 1.00 0.00 H new ATOM 0 HB3 GLU A 91 7.210 17.972 -8.064 1.00 0.00 H new ATOM 0 HG2 GLU A 91 7.741 18.494 -10.355 1.00 0.00 H new ATOM 0 HG3 GLU A 91 6.049 18.528 -10.809 1.00 0.00 H new ATOM 1403 N GLY A 92 8.394 15.457 -9.097 1.00 0.00 N ATOM 1404 CA GLY A 92 9.600 14.906 -9.687 1.00 0.00 C ATOM 1405 C GLY A 92 9.338 13.620 -10.446 1.00 0.00 C ATOM 1406 O GLY A 92 9.804 13.449 -11.572 1.00 0.00 O ATOM 0 H GLY A 92 8.397 15.501 -8.078 1.00 0.00 H new ATOM 0 HA2 GLY A 92 10.039 15.640 -10.363 1.00 0.00 H new ATOM 0 HA3 GLY A 92 10.332 14.718 -8.902 1.00 0.00 H new ATOM 1410 N GLY A 93 8.591 12.711 -9.827 1.00 0.00 N ATOM 1411 CA GLY A 93 8.283 11.445 -10.465 1.00 0.00 C ATOM 1412 C GLY A 93 8.089 10.323 -9.465 1.00 0.00 C ATOM 1413 O GLY A 93 8.544 10.415 -8.325 1.00 0.00 O ATOM 0 H GLY A 93 8.194 12.829 -8.895 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.379 11.554 -11.064 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.089 11.182 -11.150 1.00 0.00 H new ATOM 1417 N GLU A 94 7.411 9.262 -9.891 1.00 0.00 N ATOM 1418 CA GLU A 94 7.157 8.119 -9.022 1.00 0.00 C ATOM 1419 C GLU A 94 8.452 7.615 -8.392 1.00 0.00 C ATOM 1420 O GLU A 94 9.519 7.681 -9.003 1.00 0.00 O ATOM 1421 CB GLU A 94 6.487 6.990 -9.809 1.00 0.00 C ATOM 1422 CG GLU A 94 4.992 7.184 -9.998 1.00 0.00 C ATOM 1423 CD GLU A 94 4.456 6.445 -11.208 1.00 0.00 C ATOM 1424 OE1 GLU A 94 5.259 6.114 -12.106 1.00 0.00 O ATOM 1425 OE2 GLU A 94 3.233 6.197 -11.258 1.00 0.00 O ATOM 0 H GLU A 94 7.028 9.170 -10.832 1.00 0.00 H new ATOM 0 HA GLU A 94 6.488 8.444 -8.225 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.961 6.909 -10.787 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.660 6.046 -9.292 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.469 6.840 -9.106 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.778 8.248 -10.102 1.00 0.00 H new ATOM 1432 N SER A 95 8.351 7.112 -7.166 1.00 0.00 N ATOM 1433 CA SER A 95 9.514 6.601 -6.451 1.00 0.00 C ATOM 1434 C SER A 95 9.655 5.095 -6.648 1.00 0.00 C ATOM 1435 O SER A 95 8.880 4.480 -7.379 1.00 0.00 O ATOM 1436 CB SER A 95 9.405 6.924 -4.959 1.00 0.00 C ATOM 1437 OG SER A 95 10.584 6.549 -4.268 1.00 0.00 O ATOM 0 H SER A 95 7.475 7.047 -6.647 1.00 0.00 H new ATOM 0 HA SER A 95 10.401 7.087 -6.857 1.00 0.00 H new ATOM 0 HB2 SER A 95 9.226 7.991 -4.827 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.548 6.402 -4.532 1.00 0.00 H new ATOM 0 HG SER A 95 10.895 7.300 -3.720 1.00 0.00 H new ATOM 1443 N GLU A 96 10.649 4.508 -5.989 1.00 0.00 N ATOM 1444 CA GLU A 96 10.892 3.074 -6.092 1.00 0.00 C ATOM 1445 C GLU A 96 9.723 2.282 -5.515 1.00 0.00 C ATOM 1446 O GLU A 96 8.905 2.816 -4.766 1.00 0.00 O ATOM 1447 CB GLU A 96 12.185 2.700 -5.364 1.00 0.00 C ATOM 1448 CG GLU A 96 13.425 3.355 -5.949 1.00 0.00 C ATOM 1449 CD GLU A 96 13.912 2.663 -7.207 1.00 0.00 C ATOM 1450 OE1 GLU A 96 13.425 3.011 -8.302 1.00 0.00 O ATOM 1451 OE2 GLU A 96 14.781 1.773 -7.096 1.00 0.00 O ATOM 0 H GLU A 96 11.299 5.003 -5.378 1.00 0.00 H new ATOM 0 HA GLU A 96 10.993 2.823 -7.148 1.00 0.00 H new ATOM 0 HB2 GLU A 96 12.096 2.982 -4.315 1.00 0.00 H new ATOM 0 HB3 GLU A 96 12.308 1.617 -5.393 1.00 0.00 H new ATOM 0 HG2 GLU A 96 13.208 4.399 -6.174 1.00 0.00 H new ATOM 0 HG3 GLU A 96 14.221 3.348 -5.204 1.00 0.00 H new ATOM 1458 N PHE A 97 9.650 1.003 -5.870 1.00 0.00 N ATOM 1459 CA PHE A 97 8.580 0.136 -5.390 1.00 0.00 C ATOM 1460 C PHE A 97 8.875 -0.359 -3.977 1.00 0.00 C ATOM 1461 O PHE A 97 9.905 -0.986 -3.729 1.00 0.00 O ATOM 1462 CB PHE A 97 8.399 -1.056 -6.332 1.00 0.00 C ATOM 1463 CG PHE A 97 7.601 -0.730 -7.563 1.00 0.00 C ATOM 1464 CD1 PHE A 97 8.032 0.248 -8.445 1.00 0.00 C ATOM 1465 CD2 PHE A 97 6.422 -1.403 -7.838 1.00 0.00 C ATOM 1466 CE1 PHE A 97 7.301 0.549 -9.579 1.00 0.00 C ATOM 1467 CE2 PHE A 97 5.687 -1.106 -8.970 1.00 0.00 C ATOM 1468 CZ PHE A 97 6.126 -0.128 -9.841 1.00 0.00 C ATOM 0 H PHE A 97 10.319 0.544 -6.488 1.00 0.00 H new ATOM 0 HA PHE A 97 7.658 0.716 -5.369 1.00 0.00 H new ATOM 0 HB2 PHE A 97 9.380 -1.425 -6.631 1.00 0.00 H new ATOM 0 HB3 PHE A 97 7.906 -1.864 -5.792 1.00 0.00 H new ATOM 0 HD1 PHE A 97 8.949 0.781 -8.244 1.00 0.00 H new ATOM 0 HD2 PHE A 97 6.073 -2.168 -7.160 1.00 0.00 H new ATOM 0 HE1 PHE A 97 7.648 1.313 -10.259 1.00 0.00 H new ATOM 0 HE2 PHE A 97 4.770 -1.638 -9.174 1.00 0.00 H new ATOM 0 HZ PHE A 97 5.552 0.107 -10.725 1.00 0.00 H new ATOM 1478 N SER A 98 7.962 -0.072 -3.054 1.00 0.00 N ATOM 1479 CA SER A 98 8.125 -0.484 -1.664 1.00 0.00 C ATOM 1480 C SER A 98 8.219 -2.003 -1.555 1.00 0.00 C ATOM 1481 O SER A 98 8.114 -2.715 -2.552 1.00 0.00 O ATOM 1482 CB SER A 98 6.957 0.028 -0.819 1.00 0.00 C ATOM 1483 OG SER A 98 5.851 -0.855 -0.888 1.00 0.00 O ATOM 0 H SER A 98 7.103 0.444 -3.243 1.00 0.00 H new ATOM 0 HA SER A 98 9.053 -0.052 -1.289 1.00 0.00 H new ATOM 0 HB2 SER A 98 7.275 0.137 0.218 1.00 0.00 H new ATOM 0 HB3 SER A 98 6.659 1.017 -1.167 1.00 0.00 H new ATOM 0 HG SER A 98 5.738 -1.306 -0.025 1.00 0.00 H new ATOM 1489 N ASN A 99 8.418 -2.491 -0.335 1.00 0.00 N ATOM 1490 CA ASN A 99 8.527 -3.925 -0.094 1.00 0.00 C ATOM 1491 C ASN A 99 7.187 -4.618 -0.321 1.00 0.00 C ATOM 1492 O ASN A 99 6.169 -3.965 -0.548 1.00 0.00 O ATOM 1493 CB ASN A 99 9.015 -4.188 1.332 1.00 0.00 C ATOM 1494 CG ASN A 99 8.321 -3.307 2.352 1.00 0.00 C ATOM 1495 OD1 ASN A 99 8.356 -2.080 2.256 1.00 0.00 O ATOM 1496 ND2 ASN A 99 7.685 -3.930 3.338 1.00 0.00 N ATOM 0 H ASN A 99 8.507 -1.915 0.502 1.00 0.00 H new ATOM 0 HA ASN A 99 9.251 -4.333 -0.799 1.00 0.00 H new ATOM 0 HB2 ASN A 99 8.845 -5.235 1.584 1.00 0.00 H new ATOM 0 HB3 ASN A 99 10.091 -4.019 1.382 1.00 0.00 H new ATOM 0 HD21 ASN A 99 7.200 -3.389 4.054 1.00 0.00 H new ATOM 0 HD22 ASN A 99 7.682 -4.949 3.379 1.00 0.00 H new ATOM 1503 N VAL A 100 7.196 -5.946 -0.257 1.00 0.00 N ATOM 1504 CA VAL A 100 5.982 -6.729 -0.454 1.00 0.00 C ATOM 1505 C VAL A 100 5.509 -7.348 0.856 1.00 0.00 C ATOM 1506 O VAL A 100 6.185 -8.201 1.431 1.00 0.00 O ATOM 1507 CB VAL A 100 6.197 -7.848 -1.490 1.00 0.00 C ATOM 1508 CG1 VAL A 100 4.920 -8.653 -1.679 1.00 0.00 C ATOM 1509 CG2 VAL A 100 6.671 -7.266 -2.813 1.00 0.00 C ATOM 0 H VAL A 100 8.031 -6.502 -0.070 1.00 0.00 H new ATOM 0 HA VAL A 100 5.220 -6.043 -0.825 1.00 0.00 H new ATOM 0 HB VAL A 100 6.970 -8.520 -1.118 1.00 0.00 H new ATOM 0 HG11 VAL A 100 5.091 -9.439 -2.415 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.629 -9.102 -0.729 1.00 0.00 H new ATOM 0 HG13 VAL A 100 4.124 -7.996 -2.029 1.00 0.00 H new ATOM 0 HG21 VAL A 100 6.818 -8.071 -3.533 1.00 0.00 H new ATOM 0 HG22 VAL A 100 5.923 -6.571 -3.194 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.613 -6.738 -2.662 1.00 0.00 H new ATOM 1519 N MET A 101 4.343 -6.913 1.323 1.00 0.00 N ATOM 1520 CA MET A 101 3.778 -7.426 2.566 1.00 0.00 C ATOM 1521 C MET A 101 2.524 -8.251 2.293 1.00 0.00 C ATOM 1522 O MET A 101 1.575 -7.768 1.674 1.00 0.00 O ATOM 1523 CB MET A 101 3.448 -6.274 3.516 1.00 0.00 C ATOM 1524 CG MET A 101 4.617 -5.332 3.758 1.00 0.00 C ATOM 1525 SD MET A 101 5.850 -6.029 4.874 1.00 0.00 S ATOM 1526 CE MET A 101 5.125 -5.639 6.465 1.00 0.00 C ATOM 0 H MET A 101 3.771 -6.207 0.860 1.00 0.00 H new ATOM 0 HA MET A 101 4.521 -8.071 3.035 1.00 0.00 H new ATOM 0 HB2 MET A 101 2.612 -5.705 3.108 1.00 0.00 H new ATOM 0 HB3 MET A 101 3.119 -6.684 4.471 1.00 0.00 H new ATOM 0 HG2 MET A 101 5.089 -5.092 2.805 1.00 0.00 H new ATOM 0 HG3 MET A 101 4.244 -4.396 4.173 1.00 0.00 H new ATOM 0 HE1 MET A 101 5.816 -5.021 7.038 1.00 0.00 H new ATOM 0 HE2 MET A 101 4.191 -5.097 6.316 1.00 0.00 H new ATOM 0 HE3 MET A 101 4.926 -6.562 7.010 1.00 0.00 H new ATOM 1536 N ILE A 102 2.527 -9.495 2.759 1.00 0.00 N ATOM 1537 CA ILE A 102 1.388 -10.385 2.565 1.00 0.00 C ATOM 1538 C ILE A 102 0.469 -10.375 3.782 1.00 0.00 C ATOM 1539 O ILE A 102 0.744 -11.034 4.786 1.00 0.00 O ATOM 1540 CB ILE A 102 1.844 -11.831 2.293 1.00 0.00 C ATOM 1541 CG1 ILE A 102 2.684 -11.892 1.015 1.00 0.00 C ATOM 1542 CG2 ILE A 102 0.640 -12.755 2.186 1.00 0.00 C ATOM 1543 CD1 ILE A 102 3.489 -13.166 0.881 1.00 0.00 C ATOM 0 H ILE A 102 3.304 -9.910 3.273 1.00 0.00 H new ATOM 0 HA ILE A 102 0.842 -10.015 1.697 1.00 0.00 H new ATOM 0 HB ILE A 102 2.461 -12.165 3.127 1.00 0.00 H new ATOM 0 HG12 ILE A 102 2.025 -11.796 0.152 1.00 0.00 H new ATOM 0 HG13 ILE A 102 3.363 -11.039 0.995 1.00 0.00 H new ATOM 0 HG21 ILE A 102 0.979 -13.773 1.994 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.078 -12.730 3.120 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -0.000 -12.425 1.368 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.059 -13.140 -0.047 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.173 -13.255 1.725 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.815 -14.023 0.869 1.00 0.00 H new ATOM 1555 N CYS A 103 -0.623 -9.625 3.685 1.00 0.00 N ATOM 1556 CA CYS A 103 -1.584 -9.529 4.778 1.00 0.00 C ATOM 1557 C CYS A 103 -2.838 -10.341 4.471 1.00 0.00 C ATOM 1558 O CYS A 103 -3.608 -9.997 3.575 1.00 0.00 O ATOM 1559 CB CYS A 103 -1.957 -8.067 5.030 1.00 0.00 C ATOM 1560 SG CYS A 103 -2.645 -7.753 6.672 1.00 0.00 S ATOM 0 H CYS A 103 -0.865 -9.075 2.861 1.00 0.00 H new ATOM 0 HA CYS A 103 -1.119 -9.937 5.675 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -1.070 -7.448 4.895 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -2.681 -7.753 4.278 1.00 0.00 H new ATOM 0 HG CYS A 103 -3.940 -7.679 6.593 1.00 0.00 H new ATOM 1566 N GLU A 104 -3.035 -11.421 5.221 1.00 0.00 N ATOM 1567 CA GLU A 104 -4.195 -12.284 5.026 1.00 0.00 C ATOM 1568 C GLU A 104 -5.446 -11.657 5.634 1.00 0.00 C ATOM 1569 O GLU A 104 -5.477 -11.325 6.819 1.00 0.00 O ATOM 1570 CB GLU A 104 -3.945 -13.659 5.650 1.00 0.00 C ATOM 1571 CG GLU A 104 -4.802 -14.762 5.053 1.00 0.00 C ATOM 1572 CD GLU A 104 -5.104 -15.868 6.045 1.00 0.00 C ATOM 1573 OE1 GLU A 104 -5.025 -15.610 7.264 1.00 0.00 O ATOM 1574 OE2 GLU A 104 -5.420 -16.992 5.602 1.00 0.00 O ATOM 0 H GLU A 104 -2.408 -11.719 5.968 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.353 -12.403 3.954 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -2.894 -13.919 5.526 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.135 -13.602 6.722 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.739 -14.335 4.694 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.292 -15.185 4.187 1.00 0.00 H new ATOM 1581 N THR A 105 -6.479 -11.498 4.812 1.00 0.00 N ATOM 1582 CA THR A 105 -7.733 -10.910 5.266 1.00 0.00 C ATOM 1583 C THR A 105 -8.421 -11.805 6.291 1.00 0.00 C ATOM 1584 O THR A 105 -7.954 -12.906 6.581 1.00 0.00 O ATOM 1585 CB THR A 105 -8.696 -10.662 4.090 1.00 0.00 C ATOM 1586 OG1 THR A 105 -8.646 -11.763 3.176 1.00 0.00 O ATOM 1587 CG2 THR A 105 -8.341 -9.375 3.361 1.00 0.00 C ATOM 0 H THR A 105 -6.472 -11.768 3.829 1.00 0.00 H new ATOM 0 HA THR A 105 -7.484 -9.955 5.730 1.00 0.00 H new ATOM 0 HB THR A 105 -9.706 -10.567 4.490 1.00 0.00 H new ATOM 0 HG1 THR A 105 -9.163 -11.545 2.373 1.00 0.00 H new ATOM 0 HG21 THR A 105 -9.035 -9.222 2.535 1.00 0.00 H new ATOM 0 HG22 THR A 105 -8.408 -8.535 4.052 1.00 0.00 H new ATOM 0 HG23 THR A 105 -7.325 -9.445 2.973 1.00 0.00 H new ATOM 1595 N LYS A 106 -9.533 -11.325 6.837 1.00 0.00 N ATOM 1596 CA LYS A 106 -10.287 -12.082 7.829 1.00 0.00 C ATOM 1597 C LYS A 106 -11.213 -13.090 7.155 1.00 0.00 C ATOM 1598 O LYS A 106 -11.630 -12.897 6.014 1.00 0.00 O ATOM 1599 CB LYS A 106 -11.103 -11.134 8.712 1.00 0.00 C ATOM 1600 CG LYS A 106 -10.255 -10.128 9.469 1.00 0.00 C ATOM 1601 CD LYS A 106 -9.831 -10.665 10.826 1.00 0.00 C ATOM 1602 CE LYS A 106 -8.506 -10.066 11.273 1.00 0.00 C ATOM 1603 NZ LYS A 106 -8.047 -10.640 12.568 1.00 0.00 N ATOM 0 H LYS A 106 -9.932 -10.414 6.609 1.00 0.00 H new ATOM 0 HA LYS A 106 -9.577 -12.627 8.451 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.819 -10.598 8.090 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.679 -11.722 9.427 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -9.370 -9.881 8.882 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.817 -9.204 9.602 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -10.601 -10.440 11.564 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.743 -11.750 10.778 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -7.750 -10.245 10.508 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -8.611 -8.985 11.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -7.141 -10.206 12.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -8.756 -10.448 13.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -7.922 -11.668 12.468 1.00 0.00 H new ATOM 1617 N ALA A 107 -11.532 -14.164 7.871 1.00 0.00 N ATOM 1618 CA ALA A 107 -12.411 -15.199 7.343 1.00 0.00 C ATOM 1619 C ALA A 107 -13.875 -14.788 7.459 1.00 0.00 C ATOM 1620 O ALA A 107 -14.320 -14.332 8.512 1.00 0.00 O ATOM 1621 CB ALA A 107 -12.172 -16.515 8.069 1.00 0.00 C ATOM 0 H ALA A 107 -11.195 -14.339 8.818 1.00 0.00 H new ATOM 0 HA ALA A 107 -12.181 -15.332 6.286 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -12.835 -17.279 7.664 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -11.136 -16.824 7.931 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -12.373 -16.386 9.132 1.00 0.00 H new ATOM 1627 N ARG A 108 -14.619 -14.952 6.370 1.00 0.00 N ATOM 1628 CA ARG A 108 -16.033 -14.595 6.349 1.00 0.00 C ATOM 1629 C ARG A 108 -16.844 -15.538 7.234 1.00 0.00 C ATOM 1630 O ARG A 108 -16.718 -16.758 7.137 1.00 0.00 O ATOM 1631 CB ARG A 108 -16.569 -14.635 4.917 1.00 0.00 C ATOM 1632 CG ARG A 108 -16.024 -15.790 4.094 1.00 0.00 C ATOM 1633 CD ARG A 108 -17.024 -16.247 3.044 1.00 0.00 C ATOM 1634 NE ARG A 108 -16.771 -17.617 2.606 1.00 0.00 N ATOM 1635 CZ ARG A 108 -17.605 -18.309 1.838 1.00 0.00 C ATOM 1636 NH1 ARG A 108 -18.740 -17.762 1.425 1.00 0.00 N ATOM 1637 NH2 ARG A 108 -17.304 -19.551 1.481 1.00 0.00 N ATOM 0 H ARG A 108 -14.266 -15.330 5.491 1.00 0.00 H new ATOM 0 HA ARG A 108 -16.133 -13.582 6.739 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -17.656 -14.703 4.947 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -16.322 -13.697 4.419 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -15.097 -15.486 3.607 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -15.780 -16.624 4.752 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -18.033 -16.177 3.450 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -16.979 -15.578 2.185 1.00 0.00 H new ATOM 0 HE ARG A 108 -15.906 -18.067 2.906 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -18.975 -16.807 1.697 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -19.378 -18.296 0.835 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -16.432 -19.975 1.796 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -17.945 -20.082 0.891 1.00 0.00 H new ATOM 1651 N SER A 109 -17.676 -14.962 8.096 1.00 0.00 N ATOM 1652 CA SER A 109 -18.504 -15.750 9.001 1.00 0.00 C ATOM 1653 C SER A 109 -19.986 -15.490 8.747 1.00 0.00 C ATOM 1654 O SER A 109 -20.434 -14.344 8.739 1.00 0.00 O ATOM 1655 CB SER A 109 -18.160 -15.424 10.456 1.00 0.00 C ATOM 1656 OG SER A 109 -18.855 -16.277 11.348 1.00 0.00 O ATOM 0 H SER A 109 -17.794 -13.953 8.187 1.00 0.00 H new ATOM 0 HA SER A 109 -18.300 -16.804 8.814 1.00 0.00 H new ATOM 0 HB2 SER A 109 -17.086 -15.528 10.611 1.00 0.00 H new ATOM 0 HB3 SER A 109 -18.414 -14.386 10.669 1.00 0.00 H new ATOM 0 HG SER A 109 -18.617 -16.049 12.271 1.00 0.00 H new ATOM 1662 N GLY A 110 -20.742 -16.564 8.539 1.00 0.00 N ATOM 1663 CA GLY A 110 -22.165 -16.432 8.286 1.00 0.00 C ATOM 1664 C GLY A 110 -22.492 -16.420 6.806 1.00 0.00 C ATOM 1665 O GLY A 110 -21.684 -16.010 5.973 1.00 0.00 O ATOM 0 H GLY A 110 -20.394 -17.523 8.541 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -22.694 -17.256 8.765 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -22.528 -15.511 8.743 1.00 0.00 H new ATOM 1669 N PRO A 111 -23.703 -16.882 6.461 1.00 0.00 N ATOM 1670 CA PRO A 111 -24.163 -16.935 5.070 1.00 0.00 C ATOM 1671 C PRO A 111 -24.419 -15.547 4.491 1.00 0.00 C ATOM 1672 O PRO A 111 -23.947 -15.223 3.401 1.00 0.00 O ATOM 1673 CB PRO A 111 -25.470 -17.726 5.158 1.00 0.00 C ATOM 1674 CG PRO A 111 -25.952 -17.509 6.551 1.00 0.00 C ATOM 1675 CD PRO A 111 -24.717 -17.387 7.401 1.00 0.00 C ATOM 0 HA PRO A 111 -23.420 -17.385 4.412 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -26.197 -17.371 4.428 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -25.306 -18.785 4.956 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -26.562 -16.608 6.617 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -26.574 -18.340 6.883 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -24.869 -16.701 8.234 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -24.427 -18.347 7.827 1.00 0.00 H new ATOM 1683 N SER A 112 -25.168 -14.733 5.226 1.00 0.00 N ATOM 1684 CA SER A 112 -25.489 -13.381 4.784 1.00 0.00 C ATOM 1685 C SER A 112 -24.248 -12.678 4.241 1.00 0.00 C ATOM 1686 O SER A 112 -23.277 -12.463 4.965 1.00 0.00 O ATOM 1687 CB SER A 112 -26.083 -12.571 5.938 1.00 0.00 C ATOM 1688 OG SER A 112 -27.284 -13.159 6.408 1.00 0.00 O ATOM 0 H SER A 112 -25.565 -14.986 6.131 1.00 0.00 H new ATOM 0 HA SER A 112 -26.225 -13.453 3.983 1.00 0.00 H new ATOM 0 HB2 SER A 112 -25.361 -12.509 6.753 1.00 0.00 H new ATOM 0 HB3 SER A 112 -26.279 -11.551 5.608 1.00 0.00 H new ATOM 0 HG SER A 112 -27.643 -12.624 7.146 1.00 0.00 H new ATOM 1694 N SER A 113 -24.289 -12.324 2.960 1.00 0.00 N ATOM 1695 CA SER A 113 -23.168 -11.649 2.317 1.00 0.00 C ATOM 1696 C SER A 113 -23.661 -10.579 1.349 1.00 0.00 C ATOM 1697 O SER A 113 -24.680 -10.752 0.681 1.00 0.00 O ATOM 1698 CB SER A 113 -22.294 -12.662 1.575 1.00 0.00 C ATOM 1699 OG SER A 113 -21.491 -13.402 2.478 1.00 0.00 O ATOM 0 H SER A 113 -25.087 -12.494 2.347 1.00 0.00 H new ATOM 0 HA SER A 113 -22.573 -11.166 3.092 1.00 0.00 H new ATOM 0 HB2 SER A 113 -22.926 -13.342 1.004 1.00 0.00 H new ATOM 0 HB3 SER A 113 -21.657 -12.142 0.859 1.00 0.00 H new ATOM 0 HG SER A 113 -22.038 -14.087 2.916 1.00 0.00 H new ATOM 1705 N GLY A 114 -22.930 -9.471 1.278 1.00 0.00 N ATOM 1706 CA GLY A 114 -23.307 -8.387 0.389 1.00 0.00 C ATOM 1707 C GLY A 114 -22.130 -7.511 0.011 1.00 0.00 C ATOM 1708 O GLY A 114 -21.200 -7.964 -0.656 1.00 0.00 O ATOM 0 H GLY A 114 -22.083 -9.304 1.821 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -23.753 -8.801 -0.515 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -24.071 -7.776 0.870 1.00 0.00 H new TER 1712 GLY A 114