USER MOD reduce.3.24.130724 H: found=0, std=0, add=1157, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1157 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 61 LYS NZ :NH3+ 175:sc= 0.328 (180deg=-0.0477) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.246 K(o=0.57,f=-4.3!) USER MOD Single : A 1 MET CE :methyl -102:sc= -0.636 (180deg=-3.84!) USER MOD Single : A 1 MET N :NH3+ -107:sc= 0.0394 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -145:sc= 1.31 (180deg=-0.367) USER MOD Single : A 8 ASN : amide:sc= -1.63! C(o=-1.6!,f=-3.9!) USER MOD Single : A 9 THR OG1 : rot 51:sc= 0.83 USER MOD Single : A 10 ASN : amide:sc=-0.00646 X(o=-0.0065,f=0) USER MOD Single : A 11 ASN : amide:sc= -1.02 K(o=-1,f=-2.7!) USER MOD Single : A 16 LYS NZ :NH3+ 159:sc= 0.551 (180deg=0.274) USER MOD Single : A 17 LYS NZ :NH3+ 143:sc= 0.884 (180deg=-0.0419) USER MOD Single : A 19 LYS NZ :NH3+ -142:sc= -1.27 (180deg=-3.45!) USER MOD Single : A 20 LYS NZ :NH3+ 148:sc= 0.437 (180deg=0.111) USER MOD Single : A 24 ASN : amide:sc= -0.262 X(o=-0.26,f=-0.36) USER MOD Single : A 25 GLN : amide:sc=-0.00753 X(o=-0.0075,f=0) USER MOD Single : A 27 TYR OH : rot 57:sc= 0.963 USER MOD Single : A 28 GLN :FLIP amide:sc= -0.0368 F(o=-1.4,f=-0.037) USER MOD Single : A 33 ASN : amide:sc= 0.428 X(o=0.43,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 156:sc= -0.0279 (180deg=-0.481) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -171:sc= -0.135 (180deg=-0.292) USER MOD Single : A 43 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0251) USER MOD Single : A 44 LYS NZ :NH3+ 149:sc= -0.408 (180deg=-2.06!) USER MOD Single : A 49 LYS NZ :NH3+ 166:sc= -0.0776 (180deg=-0.371) USER MOD Single : A 50 ASN : amide:sc= 0.18 K(o=0.18,f=-7.3!) USER MOD Single : A 53 LYS NZ :NH3+ -146:sc= 0.24 (180deg=0.016) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -127:sc= 0.486 USER MOD Single : A 59 ASN : amide:sc=-0.00807 X(o=-0.0081,f=-0.00062) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl 172:sc= -1.35 (180deg=-1.54) USER MOD Single : A 72 SER OG : rot -55:sc= 0.146 USER MOD Single : A 73 LYS NZ :NH3+ -163:sc= -1.4 (180deg=-2.17!) USER MOD Single : A 76 TYR OH : rot 180:sc= -0.0794 USER MOD Single : A 77 LYS NZ :NH3+ 153:sc= 0.948 (180deg=0.545) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ -131:sc= 0.995 (180deg=-0.028) USER MOD Single : A 96 LYS NZ :NH3+ -173:sc=-0.00726 (180deg=-0.0981) USER MOD Single : A 99 SER OG : rot -30:sc= 0.0685 USER MOD Single : A 100 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.3) USER MOD Single : A 102 TYR OH : rot -133:sc= 0.0924 USER MOD Single : A 106 LYS NZ :NH3+ -154:sc= 0.999 (180deg=0.0666) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ -144:sc= 1.13 (180deg=0.0546) USER MOD Single : A 121 MET CE :methyl 148:sc= -0.22 (180deg=-0.805) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 123 LYS NZ :NH3+ 162:sc= 0.743 (180deg=0.35) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 129 HIS : no HD1:sc= -0.0599 X(o=-0.06,f=0.0082) USER MOD Single : A 130 HIS : no HD1:sc= -0.266 K(o=-0.27,f=-2.4) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 132 HIS : no HD1:sc=-0.00306 X(o=-0.0031,f=-0.32) USER MOD Single : A 133 HIS : no HD1:sc= -0.0257 X(o=-0.026,f=-0.36) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.383 10.420 13.069 1.00 12.41 N ATOM 2 CA MET A 1 2.909 9.991 11.754 1.00 72.12 C ATOM 3 C MET A 1 3.247 8.491 11.793 1.00 15.31 C ATOM 4 O MET A 1 3.672 7.967 12.826 1.00 43.01 O ATOM 5 CB MET A 1 4.138 10.856 11.363 1.00 41.02 C ATOM 6 CG MET A 1 4.858 10.442 10.069 1.00 32.00 C ATOM 7 SD MET A 1 3.772 10.456 8.628 1.00 13.05 S ATOM 8 CE MET A 1 4.786 9.604 7.421 1.00 41.13 C ATOM 0 H1 MET A 1 1.359 10.584 12.996 1.00 12.41 H new ATOM 0 H2 MET A 1 2.566 9.678 13.775 1.00 12.41 H new ATOM 0 H3 MET A 1 2.855 11.300 13.361 1.00 12.41 H new ATOM 0 HA MET A 1 2.149 10.140 10.987 1.00 72.12 H new ATOM 0 HB2 MET A 1 3.813 11.892 11.261 1.00 41.02 H new ATOM 0 HB3 MET A 1 4.856 10.826 12.182 1.00 41.02 H new ATOM 0 HG2 MET A 1 5.696 11.117 9.893 1.00 32.00 H new ATOM 0 HG3 MET A 1 5.275 9.443 10.194 1.00 32.00 H new ATOM 0 HE1 MET A 1 5.231 10.331 6.742 1.00 41.13 H new ATOM 0 HE2 MET A 1 5.576 9.054 7.933 1.00 41.13 H new ATOM 0 HE3 MET A 1 4.168 8.908 6.853 1.00 41.13 H new ATOM 20 N LYS A 2 3.035 7.811 10.656 1.00 34.33 N ATOM 21 CA LYS A 2 3.261 6.368 10.508 1.00 11.33 C ATOM 22 C LYS A 2 3.444 6.077 9.006 1.00 73.52 C ATOM 23 O LYS A 2 2.898 6.801 8.169 1.00 4.33 O ATOM 24 CB LYS A 2 2.050 5.574 11.113 1.00 40.21 C ATOM 25 CG LYS A 2 2.410 4.190 11.703 1.00 74.23 C ATOM 26 CD LYS A 2 1.194 3.410 12.270 1.00 2.22 C ATOM 27 CE LYS A 2 0.315 4.244 13.224 1.00 11.31 C ATOM 28 NZ LYS A 2 1.087 4.840 14.353 1.00 44.13 N ATOM 0 H LYS A 2 2.697 8.256 9.803 1.00 34.33 H new ATOM 0 HA LYS A 2 4.153 6.050 11.048 1.00 11.33 H new ATOM 0 HB2 LYS A 2 1.592 6.179 11.896 1.00 40.21 H new ATOM 0 HB3 LYS A 2 1.299 5.437 10.335 1.00 40.21 H new ATOM 0 HG2 LYS A 2 2.885 3.589 10.928 1.00 74.23 H new ATOM 0 HG3 LYS A 2 3.144 4.325 12.497 1.00 74.23 H new ATOM 0 HD2 LYS A 2 0.581 3.057 11.441 1.00 2.22 H new ATOM 0 HD3 LYS A 2 1.554 2.528 12.799 1.00 2.22 H new ATOM 0 HE2 LYS A 2 -0.169 5.042 12.660 1.00 11.31 H new ATOM 0 HE3 LYS A 2 -0.477 3.612 13.626 1.00 11.31 H new ATOM 0 HZ1 LYS A 2 0.495 4.856 15.208 1.00 44.13 H new ATOM 0 HZ2 LYS A 2 1.938 4.269 14.531 1.00 44.13 H new ATOM 0 HZ3 LYS A 2 1.367 5.811 14.108 1.00 44.13 H new ATOM 42 N ILE A 3 4.233 5.054 8.656 1.00 55.31 N ATOM 43 CA ILE A 3 4.489 4.692 7.245 1.00 33.10 C ATOM 44 C ILE A 3 3.830 3.339 6.935 1.00 1.11 C ATOM 45 O ILE A 3 4.306 2.292 7.363 1.00 63.22 O ATOM 46 CB ILE A 3 6.043 4.661 6.941 1.00 23.14 C ATOM 47 CG1 ILE A 3 6.653 6.088 7.153 1.00 40.31 C ATOM 48 CG2 ILE A 3 6.339 4.132 5.516 1.00 13.52 C ATOM 49 CD1 ILE A 3 8.150 6.195 6.928 1.00 21.33 C ATOM 0 H ILE A 3 4.710 4.456 9.330 1.00 55.31 H new ATOM 0 HA ILE A 3 4.050 5.450 6.597 1.00 33.10 H new ATOM 0 HB ILE A 3 6.514 3.968 7.638 1.00 23.14 H new ATOM 0 HG12 ILE A 3 6.151 6.783 6.480 1.00 40.31 H new ATOM 0 HG13 ILE A 3 6.431 6.412 8.170 1.00 40.31 H new ATOM 0 HG21 ILE A 3 7.416 4.126 5.346 1.00 13.52 H new ATOM 0 HG22 ILE A 3 5.950 3.118 5.416 1.00 13.52 H new ATOM 0 HG23 ILE A 3 5.859 4.778 4.781 1.00 13.52 H new ATOM 0 HD11 ILE A 3 8.471 7.222 7.100 1.00 21.33 H new ATOM 0 HD12 ILE A 3 8.670 5.531 7.619 1.00 21.33 H new ATOM 0 HD13 ILE A 3 8.385 5.908 5.903 1.00 21.33 H new ATOM 61 N LEU A 4 2.689 3.388 6.229 1.00 63.42 N ATOM 62 CA LEU A 4 1.986 2.191 5.731 1.00 2.34 C ATOM 63 C LEU A 4 2.173 2.113 4.216 1.00 4.31 C ATOM 64 O LEU A 4 2.003 3.112 3.521 1.00 11.41 O ATOM 65 CB LEU A 4 0.462 2.219 6.088 1.00 52.40 C ATOM 66 CG LEU A 4 0.061 1.776 7.540 1.00 2.22 C ATOM 67 CD1 LEU A 4 0.660 2.692 8.620 1.00 52.40 C ATOM 68 CD2 LEU A 4 -1.475 1.676 7.676 1.00 10.33 C ATOM 0 H LEU A 4 2.225 4.263 5.986 1.00 63.42 H new ATOM 0 HA LEU A 4 2.410 1.310 6.213 1.00 2.34 H new ATOM 0 HB2 LEU A 4 0.096 3.233 5.930 1.00 52.40 H new ATOM 0 HB3 LEU A 4 -0.063 1.577 5.381 1.00 52.40 H new ATOM 0 HG LEU A 4 0.486 0.786 7.704 1.00 2.22 H new ATOM 0 HD11 LEU A 4 0.352 2.342 9.605 1.00 52.40 H new ATOM 0 HD12 LEU A 4 1.748 2.673 8.551 1.00 52.40 H new ATOM 0 HD13 LEU A 4 0.305 3.712 8.470 1.00 52.40 H new ATOM 0 HD21 LEU A 4 -1.731 1.368 8.690 1.00 10.33 H new ATOM 0 HD22 LEU A 4 -1.923 2.648 7.468 1.00 10.33 H new ATOM 0 HD23 LEU A 4 -1.856 0.942 6.966 1.00 10.33 H new ATOM 80 N ILE A 5 2.565 0.937 3.717 1.00 20.24 N ATOM 81 CA ILE A 5 2.597 0.645 2.283 1.00 4.24 C ATOM 82 C ILE A 5 1.481 -0.366 1.976 1.00 12.40 C ATOM 83 O ILE A 5 1.502 -1.494 2.476 1.00 64.14 O ATOM 84 CB ILE A 5 4.002 0.105 1.798 1.00 70.40 C ATOM 85 CG1 ILE A 5 5.129 1.141 2.127 1.00 32.24 C ATOM 86 CG2 ILE A 5 3.982 -0.236 0.282 1.00 12.30 C ATOM 87 CD1 ILE A 5 6.495 0.832 1.530 1.00 35.43 C ATOM 0 H ILE A 5 2.870 0.158 4.300 1.00 20.24 H new ATOM 0 HA ILE A 5 2.434 1.573 1.734 1.00 4.24 H new ATOM 0 HB ILE A 5 4.216 -0.817 2.338 1.00 70.40 H new ATOM 0 HG12 ILE A 5 4.811 2.122 1.775 1.00 32.24 H new ATOM 0 HG13 ILE A 5 5.232 1.209 3.210 1.00 32.24 H new ATOM 0 HG21 ILE A 5 4.962 -0.605 -0.021 1.00 12.30 H new ATOM 0 HG22 ILE A 5 3.231 -1.003 0.091 1.00 12.30 H new ATOM 0 HG23 ILE A 5 3.739 0.660 -0.289 1.00 12.30 H new ATOM 0 HD11 ILE A 5 7.202 1.610 1.818 1.00 35.43 H new ATOM 0 HD12 ILE A 5 6.845 -0.132 1.901 1.00 35.43 H new ATOM 0 HD13 ILE A 5 6.417 0.796 0.443 1.00 35.43 H new ATOM 99 N LEU A 6 0.489 0.075 1.191 1.00 51.22 N ATOM 100 CA LEU A 6 -0.638 -0.762 0.764 1.00 13.23 C ATOM 101 C LEU A 6 -0.276 -1.457 -0.547 1.00 42.53 C ATOM 102 O LEU A 6 0.256 -0.830 -1.464 1.00 71.23 O ATOM 103 CB LEU A 6 -1.912 0.096 0.565 1.00 52.12 C ATOM 104 CG LEU A 6 -2.387 0.892 1.804 1.00 42.44 C ATOM 105 CD1 LEU A 6 -3.694 1.663 1.524 1.00 70.15 C ATOM 106 CD2 LEU A 6 -2.512 -0.010 3.038 1.00 4.22 C ATOM 0 H LEU A 6 0.447 1.029 0.833 1.00 51.22 H new ATOM 0 HA LEU A 6 -0.840 -1.505 1.536 1.00 13.23 H new ATOM 0 HB2 LEU A 6 -1.730 0.799 -0.248 1.00 52.12 H new ATOM 0 HB3 LEU A 6 -2.722 -0.559 0.245 1.00 52.12 H new ATOM 0 HG LEU A 6 -1.621 1.635 2.023 1.00 42.44 H new ATOM 0 HD11 LEU A 6 -3.993 2.209 2.419 1.00 70.15 H new ATOM 0 HD12 LEU A 6 -3.534 2.366 0.707 1.00 70.15 H new ATOM 0 HD13 LEU A 6 -4.480 0.959 1.248 1.00 70.15 H new ATOM 0 HD21 LEU A 6 -2.848 0.582 3.889 1.00 4.22 H new ATOM 0 HD22 LEU A 6 -3.235 -0.801 2.839 1.00 4.22 H new ATOM 0 HD23 LEU A 6 -1.542 -0.453 3.264 1.00 4.22 H new ATOM 118 N ILE A 7 -0.551 -2.762 -0.613 1.00 71.45 N ATOM 119 CA ILE A 7 -0.309 -3.578 -1.811 1.00 10.21 C ATOM 120 C ILE A 7 -1.616 -4.253 -2.223 1.00 64.32 C ATOM 121 O ILE A 7 -2.181 -5.048 -1.460 1.00 4.24 O ATOM 122 CB ILE A 7 0.809 -4.670 -1.563 1.00 63.40 C ATOM 123 CG1 ILE A 7 2.164 -3.998 -1.185 1.00 32.31 C ATOM 124 CG2 ILE A 7 0.986 -5.607 -2.787 1.00 61.14 C ATOM 125 CD1 ILE A 7 2.734 -3.050 -2.229 1.00 32.32 C ATOM 0 H ILE A 7 -0.950 -3.287 0.165 1.00 71.45 H new ATOM 0 HA ILE A 7 0.047 -2.924 -2.607 1.00 10.21 H new ATOM 0 HB ILE A 7 0.480 -5.286 -0.726 1.00 63.40 H new ATOM 0 HG12 ILE A 7 2.030 -3.448 -0.253 1.00 32.31 H new ATOM 0 HG13 ILE A 7 2.897 -4.781 -0.991 1.00 32.31 H new ATOM 0 HG21 ILE A 7 1.763 -6.341 -2.574 1.00 61.14 H new ATOM 0 HG22 ILE A 7 0.047 -6.121 -2.990 1.00 61.14 H new ATOM 0 HG23 ILE A 7 1.273 -5.018 -3.658 1.00 61.14 H new ATOM 0 HD11 ILE A 7 3.676 -2.636 -1.869 1.00 32.32 H new ATOM 0 HD12 ILE A 7 2.907 -3.593 -3.158 1.00 32.32 H new ATOM 0 HD13 ILE A 7 2.027 -2.240 -2.409 1.00 32.32 H new ATOM 137 N ASN A 8 -2.100 -3.901 -3.418 1.00 11.32 N ATOM 138 CA ASN A 8 -3.165 -4.636 -4.085 1.00 72.10 C ATOM 139 C ASN A 8 -2.701 -4.972 -5.504 1.00 32.12 C ATOM 140 O ASN A 8 -2.681 -4.122 -6.393 1.00 62.23 O ATOM 141 CB ASN A 8 -4.495 -3.838 -4.117 1.00 54.13 C ATOM 142 CG ASN A 8 -5.614 -4.573 -4.877 1.00 23.33 C ATOM 143 OD1 ASN A 8 -6.389 -3.972 -5.613 1.00 35.11 O ATOM 144 ND2 ASN A 8 -5.722 -5.876 -4.680 1.00 21.15 N ATOM 0 H ASN A 8 -1.760 -3.097 -3.946 1.00 11.32 H new ATOM 0 HA ASN A 8 -3.368 -5.549 -3.526 1.00 72.10 H new ATOM 0 HB2 ASN A 8 -4.822 -3.645 -3.095 1.00 54.13 H new ATOM 0 HB3 ASN A 8 -4.321 -2.869 -4.584 1.00 54.13 H new ATOM 0 HD21 ASN A 8 -6.462 -6.402 -5.145 1.00 21.15 H new ATOM 0 HD22 ASN A 8 -5.066 -6.355 -4.063 1.00 21.15 H new ATOM 151 N THR A 9 -2.296 -6.224 -5.681 1.00 53.12 N ATOM 152 CA THR A 9 -1.994 -6.808 -6.988 1.00 1.42 C ATOM 153 C THR A 9 -2.789 -8.110 -7.114 1.00 54.04 C ATOM 154 O THR A 9 -2.926 -8.851 -6.128 1.00 43.44 O ATOM 155 CB THR A 9 -0.451 -7.041 -7.201 1.00 51.22 C ATOM 156 OG1 THR A 9 -0.207 -7.851 -8.363 1.00 44.24 O ATOM 157 CG2 THR A 9 0.221 -7.694 -6.001 1.00 74.31 C ATOM 0 H THR A 9 -2.165 -6.876 -4.908 1.00 53.12 H new ATOM 0 HA THR A 9 -2.289 -6.112 -7.773 1.00 1.42 H new ATOM 0 HB THR A 9 -0.018 -6.050 -7.336 1.00 51.22 H new ATOM 0 HG1 THR A 9 -0.688 -7.476 -9.130 1.00 44.24 H new ATOM 0 HG21 THR A 9 1.283 -7.829 -6.207 1.00 74.31 H new ATOM 0 HG22 THR A 9 0.100 -7.057 -5.125 1.00 74.31 H new ATOM 0 HG23 THR A 9 -0.238 -8.664 -5.811 1.00 74.31 H new ATOM 165 N ASN A 10 -3.344 -8.363 -8.311 1.00 71.13 N ATOM 166 CA ASN A 10 -4.191 -9.550 -8.551 1.00 15.12 C ATOM 167 C ASN A 10 -3.341 -10.823 -8.519 1.00 4.24 C ATOM 168 O ASN A 10 -3.767 -11.863 -7.988 1.00 42.01 O ATOM 169 CB ASN A 10 -4.936 -9.418 -9.895 1.00 54.01 C ATOM 170 CG ASN A 10 -5.793 -10.638 -10.255 1.00 50.11 C ATOM 171 OD1 ASN A 10 -6.954 -10.743 -9.860 1.00 4.00 O ATOM 172 ND2 ASN A 10 -5.224 -11.564 -11.018 1.00 35.35 N ATOM 0 H ASN A 10 -3.223 -7.764 -9.128 1.00 71.13 H new ATOM 0 HA ASN A 10 -4.935 -9.616 -7.757 1.00 15.12 H new ATOM 0 HB2 ASN A 10 -5.575 -8.536 -9.859 1.00 54.01 H new ATOM 0 HB3 ASN A 10 -4.207 -9.252 -10.688 1.00 54.01 H new ATOM 0 HD21 ASN A 10 -5.751 -12.392 -11.293 1.00 35.35 H new ATOM 0 HD22 ASN A 10 -4.260 -11.447 -11.329 1.00 35.35 H new ATOM 179 N ASN A 11 -2.134 -10.727 -9.099 1.00 44.40 N ATOM 180 CA ASN A 11 -1.145 -11.805 -9.053 1.00 52.11 C ATOM 181 C ASN A 11 -0.481 -11.821 -7.654 1.00 4.51 C ATOM 182 O ASN A 11 0.467 -11.081 -7.379 1.00 2.42 O ATOM 183 CB ASN A 11 -0.127 -11.709 -10.234 1.00 2.13 C ATOM 184 CG ASN A 11 0.518 -10.336 -10.440 1.00 21.15 C ATOM 185 OD1 ASN A 11 -0.159 -9.361 -10.767 1.00 42.34 O ATOM 186 ND2 ASN A 11 1.825 -10.257 -10.309 1.00 54.23 N ATOM 0 H ASN A 11 -1.821 -9.902 -9.610 1.00 44.40 H new ATOM 0 HA ASN A 11 -1.639 -12.766 -9.194 1.00 52.11 H new ATOM 0 HB2 ASN A 11 0.664 -12.441 -10.069 1.00 2.13 H new ATOM 0 HB3 ASN A 11 -0.637 -11.993 -11.154 1.00 2.13 H new ATOM 0 HD21 ASN A 11 2.302 -9.372 -10.480 1.00 54.23 H new ATOM 0 HD22 ASN A 11 2.361 -11.081 -10.037 1.00 54.23 H new ATOM 193 N ASP A 12 -1.054 -12.665 -6.773 1.00 21.42 N ATOM 194 CA ASP A 12 -0.726 -12.751 -5.328 1.00 51.10 C ATOM 195 C ASP A 12 0.725 -13.227 -5.074 1.00 13.12 C ATOM 196 O ASP A 12 1.306 -12.951 -4.014 1.00 61.31 O ATOM 197 CB ASP A 12 -1.764 -13.690 -4.650 1.00 5.02 C ATOM 198 CG ASP A 12 -1.494 -13.999 -3.162 1.00 42.25 C ATOM 199 OD1 ASP A 12 -1.630 -13.090 -2.321 1.00 52.02 O ATOM 200 OD2 ASP A 12 -1.156 -15.158 -2.825 1.00 41.44 O ATOM 0 H ASP A 12 -1.779 -13.326 -7.051 1.00 21.42 H new ATOM 0 HA ASP A 12 -0.783 -11.754 -4.891 1.00 51.10 H new ATOM 0 HB2 ASP A 12 -2.752 -13.237 -4.738 1.00 5.02 H new ATOM 0 HB3 ASP A 12 -1.794 -14.630 -5.201 1.00 5.02 H new ATOM 205 N GLU A 13 1.308 -13.913 -6.068 1.00 64.14 N ATOM 206 CA GLU A 13 2.701 -14.397 -6.009 1.00 62.24 C ATOM 207 C GLU A 13 3.707 -13.220 -6.028 1.00 62.20 C ATOM 208 O GLU A 13 4.786 -13.312 -5.436 1.00 43.51 O ATOM 209 CB GLU A 13 2.977 -15.364 -7.181 1.00 1.30 C ATOM 210 CG GLU A 13 2.052 -16.594 -7.224 1.00 40.23 C ATOM 211 CD GLU A 13 2.417 -17.557 -8.363 1.00 72.22 C ATOM 212 OE1 GLU A 13 1.902 -17.396 -9.488 1.00 72.32 O ATOM 213 OE2 GLU A 13 3.245 -18.464 -8.148 1.00 23.21 O ATOM 0 H GLU A 13 0.829 -14.150 -6.937 1.00 64.14 H new ATOM 0 HA GLU A 13 2.835 -14.932 -5.069 1.00 62.24 H new ATOM 0 HB2 GLU A 13 2.877 -14.817 -8.118 1.00 1.30 H new ATOM 0 HB3 GLU A 13 4.011 -15.704 -7.119 1.00 1.30 H new ATOM 0 HG2 GLU A 13 2.109 -17.122 -6.272 1.00 40.23 H new ATOM 0 HG3 GLU A 13 1.020 -16.266 -7.345 1.00 40.23 H new ATOM 220 N LEU A 14 3.331 -12.110 -6.700 1.00 51.12 N ATOM 221 CA LEU A 14 4.137 -10.868 -6.723 1.00 51.01 C ATOM 222 C LEU A 14 4.294 -10.286 -5.304 1.00 61.22 C ATOM 223 O LEU A 14 5.358 -9.751 -4.968 1.00 5.20 O ATOM 224 CB LEU A 14 3.496 -9.819 -7.670 1.00 25.21 C ATOM 225 CG LEU A 14 4.117 -8.381 -7.670 1.00 62.14 C ATOM 226 CD1 LEU A 14 5.638 -8.394 -7.934 1.00 22.45 C ATOM 227 CD2 LEU A 14 3.383 -7.467 -8.668 1.00 33.50 C ATOM 0 H LEU A 14 2.467 -12.049 -7.238 1.00 51.12 H new ATOM 0 HA LEU A 14 5.129 -11.117 -7.101 1.00 51.01 H new ATOM 0 HB2 LEU A 14 3.544 -10.208 -8.687 1.00 25.21 H new ATOM 0 HB3 LEU A 14 2.441 -9.731 -7.412 1.00 25.21 H new ATOM 0 HG LEU A 14 3.980 -7.974 -6.668 1.00 62.14 H new ATOM 0 HD11 LEU A 14 6.018 -7.372 -7.923 1.00 22.45 H new ATOM 0 HD12 LEU A 14 6.137 -8.975 -7.158 1.00 22.45 H new ATOM 0 HD13 LEU A 14 5.835 -8.844 -8.907 1.00 22.45 H new ATOM 0 HD21 LEU A 14 3.832 -6.474 -8.650 1.00 33.50 H new ATOM 0 HD22 LEU A 14 3.465 -7.884 -9.672 1.00 33.50 H new ATOM 0 HD23 LEU A 14 2.332 -7.395 -8.390 1.00 33.50 H new ATOM 239 N ILE A 15 3.238 -10.431 -4.480 1.00 74.34 N ATOM 240 CA ILE A 15 3.220 -9.931 -3.094 1.00 22.15 C ATOM 241 C ILE A 15 4.361 -10.552 -2.276 1.00 52.45 C ATOM 242 O ILE A 15 4.969 -9.867 -1.471 1.00 15.40 O ATOM 243 CB ILE A 15 1.842 -10.223 -2.392 1.00 41.54 C ATOM 244 CG1 ILE A 15 0.691 -9.600 -3.235 1.00 44.10 C ATOM 245 CG2 ILE A 15 1.830 -9.699 -0.935 1.00 50.42 C ATOM 246 CD1 ILE A 15 -0.722 -9.895 -2.777 1.00 34.32 C ATOM 0 H ILE A 15 2.375 -10.898 -4.758 1.00 74.34 H new ATOM 0 HA ILE A 15 3.360 -8.851 -3.139 1.00 22.15 H new ATOM 0 HB ILE A 15 1.692 -11.301 -2.338 1.00 41.54 H new ATOM 0 HG12 ILE A 15 0.826 -8.518 -3.249 1.00 44.10 H new ATOM 0 HG13 ILE A 15 0.795 -9.947 -4.263 1.00 44.10 H new ATOM 0 HG21 ILE A 15 0.865 -9.916 -0.478 1.00 50.42 H new ATOM 0 HG22 ILE A 15 2.620 -10.189 -0.365 1.00 50.42 H new ATOM 0 HG23 ILE A 15 1.998 -8.622 -0.934 1.00 50.42 H new ATOM 0 HD11 ILE A 15 -1.431 -9.406 -3.445 1.00 34.32 H new ATOM 0 HD12 ILE A 15 -0.892 -10.971 -2.793 1.00 34.32 H new ATOM 0 HD13 ILE A 15 -0.861 -9.521 -1.763 1.00 34.32 H new ATOM 258 N LYS A 16 4.676 -11.835 -2.548 1.00 43.51 N ATOM 259 CA LYS A 16 5.728 -12.573 -1.808 1.00 2.33 C ATOM 260 C LYS A 16 7.110 -11.912 -2.048 1.00 2.54 C ATOM 261 O LYS A 16 7.944 -11.850 -1.142 1.00 73.41 O ATOM 262 CB LYS A 16 5.781 -14.083 -2.211 1.00 64.11 C ATOM 263 CG LYS A 16 4.413 -14.759 -2.456 1.00 34.21 C ATOM 264 CD LYS A 16 3.373 -14.555 -1.328 1.00 41.01 C ATOM 265 CE LYS A 16 2.010 -15.162 -1.700 1.00 51.10 C ATOM 266 NZ LYS A 16 0.925 -14.726 -0.783 1.00 51.31 N ATOM 0 H LYS A 16 4.218 -12.385 -3.275 1.00 43.51 H new ATOM 0 HA LYS A 16 5.477 -12.525 -0.748 1.00 2.33 H new ATOM 0 HB2 LYS A 16 6.380 -14.178 -3.117 1.00 64.11 H new ATOM 0 HB3 LYS A 16 6.301 -14.632 -1.426 1.00 64.11 H new ATOM 0 HG2 LYS A 16 3.997 -14.376 -3.388 1.00 34.21 H new ATOM 0 HG3 LYS A 16 4.572 -15.828 -2.594 1.00 34.21 H new ATOM 0 HD2 LYS A 16 3.738 -15.013 -0.409 1.00 41.01 H new ATOM 0 HD3 LYS A 16 3.256 -13.490 -1.128 1.00 41.01 H new ATOM 0 HE2 LYS A 16 1.755 -14.877 -2.721 1.00 51.10 H new ATOM 0 HE3 LYS A 16 2.083 -16.249 -1.681 1.00 51.10 H new ATOM 0 HZ1 LYS A 16 0.004 -14.851 -1.250 1.00 51.31 H new ATOM 0 HZ2 LYS A 16 0.953 -15.298 0.085 1.00 51.31 H new ATOM 0 HZ3 LYS A 16 1.057 -13.723 -0.541 1.00 51.31 H new ATOM 280 N LYS A 17 7.301 -11.392 -3.279 1.00 74.23 N ATOM 281 CA LYS A 17 8.538 -10.708 -3.697 1.00 23.31 C ATOM 282 C LYS A 17 8.614 -9.295 -3.070 1.00 54.14 C ATOM 283 O LYS A 17 9.664 -8.886 -2.567 1.00 54.41 O ATOM 284 CB LYS A 17 8.593 -10.608 -5.247 1.00 30.00 C ATOM 285 CG LYS A 17 8.356 -11.937 -6.002 1.00 41.41 C ATOM 286 CD LYS A 17 8.539 -11.795 -7.540 1.00 30.30 C ATOM 287 CE LYS A 17 9.997 -11.499 -7.934 1.00 55.34 C ATOM 288 NZ LYS A 17 10.185 -11.368 -9.403 1.00 50.14 N ATOM 0 H LYS A 17 6.595 -11.437 -4.014 1.00 74.23 H new ATOM 0 HA LYS A 17 9.392 -11.289 -3.348 1.00 23.31 H new ATOM 0 HB2 LYS A 17 7.847 -9.884 -5.575 1.00 30.00 H new ATOM 0 HB3 LYS A 17 9.567 -10.214 -5.535 1.00 30.00 H new ATOM 0 HG2 LYS A 17 9.047 -12.692 -5.626 1.00 41.41 H new ATOM 0 HG3 LYS A 17 7.348 -12.295 -5.792 1.00 41.41 H new ATOM 0 HD2 LYS A 17 8.213 -12.714 -8.028 1.00 30.30 H new ATOM 0 HD3 LYS A 17 7.897 -10.994 -7.907 1.00 30.30 H new ATOM 0 HE2 LYS A 17 10.319 -10.578 -7.448 1.00 55.34 H new ATOM 0 HE3 LYS A 17 10.638 -12.298 -7.561 1.00 55.34 H new ATOM 0 HZ1 LYS A 17 10.885 -10.624 -9.598 1.00 50.14 H new ATOM 0 HZ2 LYS A 17 10.522 -12.272 -9.792 1.00 50.14 H new ATOM 0 HZ3 LYS A 17 9.279 -11.116 -9.848 1.00 50.14 H new ATOM 302 N ILE A 18 7.462 -8.575 -3.103 1.00 72.22 N ATOM 303 CA ILE A 18 7.309 -7.217 -2.529 1.00 24.31 C ATOM 304 C ILE A 18 7.559 -7.251 -1.008 1.00 71.11 C ATOM 305 O ILE A 18 8.181 -6.335 -0.450 1.00 64.10 O ATOM 306 CB ILE A 18 5.871 -6.628 -2.831 1.00 62.34 C ATOM 307 CG1 ILE A 18 5.654 -6.439 -4.373 1.00 11.13 C ATOM 308 CG2 ILE A 18 5.624 -5.305 -2.068 1.00 60.12 C ATOM 309 CD1 ILE A 18 4.271 -5.941 -4.776 1.00 42.41 C ATOM 0 H ILE A 18 6.607 -8.927 -3.534 1.00 72.22 H new ATOM 0 HA ILE A 18 8.047 -6.567 -2.998 1.00 24.31 H new ATOM 0 HB ILE A 18 5.139 -7.352 -2.472 1.00 62.34 H new ATOM 0 HG12 ILE A 18 6.399 -5.736 -4.745 1.00 11.13 H new ATOM 0 HG13 ILE A 18 5.839 -7.392 -4.869 1.00 11.13 H new ATOM 0 HG21 ILE A 18 4.627 -4.931 -2.301 1.00 60.12 H new ATOM 0 HG22 ILE A 18 5.704 -5.483 -0.996 1.00 60.12 H new ATOM 0 HG23 ILE A 18 6.367 -4.567 -2.369 1.00 60.12 H new ATOM 0 HD11 ILE A 18 4.221 -5.843 -5.860 1.00 42.41 H new ATOM 0 HD12 ILE A 18 3.516 -6.653 -4.441 1.00 42.41 H new ATOM 0 HD13 ILE A 18 4.085 -4.971 -4.315 1.00 42.41 H new ATOM 321 N LYS A 19 7.083 -8.341 -0.368 1.00 3.31 N ATOM 322 CA LYS A 19 7.292 -8.601 1.063 1.00 14.14 C ATOM 323 C LYS A 19 8.788 -8.633 1.364 1.00 61.42 C ATOM 324 O LYS A 19 9.245 -7.938 2.253 1.00 1.11 O ATOM 325 CB LYS A 19 6.643 -9.942 1.497 1.00 32.22 C ATOM 326 CG LYS A 19 5.108 -9.921 1.630 1.00 3.25 C ATOM 327 CD LYS A 19 4.506 -11.305 1.993 1.00 44.32 C ATOM 328 CE LYS A 19 4.840 -11.795 3.424 1.00 71.22 C ATOM 329 NZ LYS A 19 6.288 -12.100 3.657 1.00 50.11 N ATOM 0 H LYS A 19 6.540 -9.066 -0.837 1.00 3.31 H new ATOM 0 HA LYS A 19 6.816 -7.798 1.626 1.00 14.14 H new ATOM 0 HB2 LYS A 19 6.918 -10.710 0.774 1.00 32.22 H new ATOM 0 HB3 LYS A 19 7.070 -10.239 2.455 1.00 32.22 H new ATOM 0 HG2 LYS A 19 4.826 -9.198 2.395 1.00 3.25 H new ATOM 0 HG3 LYS A 19 4.673 -9.578 0.691 1.00 3.25 H new ATOM 0 HD2 LYS A 19 3.423 -11.256 1.883 1.00 44.32 H new ATOM 0 HD3 LYS A 19 4.866 -12.043 1.276 1.00 44.32 H new ATOM 0 HE2 LYS A 19 4.523 -11.034 4.137 1.00 71.22 H new ATOM 0 HE3 LYS A 19 4.255 -12.691 3.633 1.00 71.22 H new ATOM 0 HZ1 LYS A 19 6.372 -12.938 4.267 1.00 50.11 H new ATOM 0 HZ2 LYS A 19 6.754 -12.286 2.746 1.00 50.11 H new ATOM 0 HZ3 LYS A 19 6.744 -11.288 4.120 1.00 50.11 H new ATOM 343 N LYS A 20 9.542 -9.418 0.577 1.00 52.22 N ATOM 344 CA LYS A 20 10.989 -9.582 0.773 1.00 41.44 C ATOM 345 C LYS A 20 11.748 -8.256 0.572 1.00 72.14 C ATOM 346 O LYS A 20 12.729 -7.996 1.273 1.00 22.15 O ATOM 347 CB LYS A 20 11.539 -10.711 -0.143 1.00 55.43 C ATOM 348 CG LYS A 20 10.975 -12.113 0.197 1.00 11.44 C ATOM 349 CD LYS A 20 11.209 -12.502 1.680 1.00 12.41 C ATOM 350 CE LYS A 20 10.508 -13.804 2.086 1.00 4.04 C ATOM 351 NZ LYS A 20 10.528 -13.994 3.561 1.00 63.41 N ATOM 0 H LYS A 20 9.168 -9.953 -0.207 1.00 52.22 H new ATOM 0 HA LYS A 20 11.157 -9.880 1.808 1.00 41.44 H new ATOM 0 HB2 LYS A 20 11.301 -10.474 -1.180 1.00 55.43 H new ATOM 0 HB3 LYS A 20 12.626 -10.736 -0.063 1.00 55.43 H new ATOM 0 HG2 LYS A 20 9.906 -12.133 -0.017 1.00 11.44 H new ATOM 0 HG3 LYS A 20 11.443 -12.856 -0.449 1.00 11.44 H new ATOM 0 HD2 LYS A 20 12.280 -12.604 1.856 1.00 12.41 H new ATOM 0 HD3 LYS A 20 10.856 -11.693 2.320 1.00 12.41 H new ATOM 0 HE2 LYS A 20 9.477 -13.789 1.734 1.00 4.04 H new ATOM 0 HE3 LYS A 20 10.998 -14.649 1.602 1.00 4.04 H new ATOM 0 HZ1 LYS A 20 9.669 -14.500 3.858 1.00 63.41 H new ATOM 0 HZ2 LYS A 20 11.366 -14.549 3.828 1.00 63.41 H new ATOM 0 HZ3 LYS A 20 10.563 -13.066 4.030 1.00 63.41 H new ATOM 365 N GLU A 21 11.256 -7.409 -0.352 1.00 13.43 N ATOM 366 CA GLU A 21 11.820 -6.065 -0.594 1.00 65.50 C ATOM 367 C GLU A 21 11.632 -5.135 0.623 1.00 32.31 C ATOM 368 O GLU A 21 12.565 -4.412 1.011 1.00 34.42 O ATOM 369 CB GLU A 21 11.193 -5.424 -1.860 1.00 44.12 C ATOM 370 CG GLU A 21 11.476 -6.182 -3.174 1.00 30.33 C ATOM 371 CD GLU A 21 12.975 -6.414 -3.465 1.00 10.43 C ATOM 372 OE1 GLU A 21 13.766 -5.451 -3.371 1.00 11.03 O ATOM 373 OE2 GLU A 21 13.363 -7.550 -3.817 1.00 25.12 O ATOM 0 H GLU A 21 10.461 -7.634 -0.949 1.00 13.43 H new ATOM 0 HA GLU A 21 12.891 -6.190 -0.755 1.00 65.50 H new ATOM 0 HB2 GLU A 21 10.114 -5.357 -1.720 1.00 44.12 H new ATOM 0 HB3 GLU A 21 11.566 -4.404 -1.957 1.00 44.12 H new ATOM 0 HG2 GLU A 21 10.971 -7.147 -3.138 1.00 30.33 H new ATOM 0 HG3 GLU A 21 11.039 -5.624 -4.003 1.00 30.33 H new ATOM 380 N VAL A 22 10.426 -5.159 1.236 1.00 20.13 N ATOM 381 CA VAL A 22 10.128 -4.325 2.426 1.00 54.15 C ATOM 382 C VAL A 22 10.775 -4.930 3.693 1.00 52.40 C ATOM 383 O VAL A 22 11.096 -4.197 4.624 1.00 13.33 O ATOM 384 CB VAL A 22 8.584 -4.088 2.657 1.00 61.14 C ATOM 385 CG1 VAL A 22 7.898 -3.558 1.384 1.00 40.20 C ATOM 386 CG2 VAL A 22 7.858 -5.339 3.195 1.00 33.22 C ATOM 0 H VAL A 22 9.647 -5.742 0.930 1.00 20.13 H new ATOM 0 HA VAL A 22 10.565 -3.346 2.227 1.00 54.15 H new ATOM 0 HB VAL A 22 8.507 -3.324 3.431 1.00 61.14 H new ATOM 0 HG11 VAL A 22 6.836 -3.406 1.579 1.00 40.20 H new ATOM 0 HG12 VAL A 22 8.353 -2.611 1.093 1.00 40.20 H new ATOM 0 HG13 VAL A 22 8.019 -4.281 0.578 1.00 40.20 H new ATOM 0 HG21 VAL A 22 6.800 -5.114 3.334 1.00 33.22 H new ATOM 0 HG22 VAL A 22 7.965 -6.157 2.482 1.00 33.22 H new ATOM 0 HG23 VAL A 22 8.295 -5.631 4.150 1.00 33.22 H new ATOM 396 N GLU A 23 10.977 -6.271 3.692 1.00 34.34 N ATOM 397 CA GLU A 23 11.656 -7.006 4.788 1.00 15.44 C ATOM 398 C GLU A 23 13.150 -6.616 4.837 1.00 33.44 C ATOM 399 O GLU A 23 13.745 -6.564 5.920 1.00 45.33 O ATOM 400 CB GLU A 23 11.476 -8.559 4.622 1.00 42.21 C ATOM 401 CG GLU A 23 10.067 -9.097 4.975 1.00 41.55 C ATOM 402 CD GLU A 23 9.863 -10.606 4.680 1.00 2.12 C ATOM 403 OE1 GLU A 23 10.583 -11.447 5.266 1.00 2.54 O ATOM 404 OE2 GLU A 23 8.965 -10.965 3.884 1.00 62.21 O ATOM 0 H GLU A 23 10.673 -6.875 2.928 1.00 34.34 H new ATOM 0 HA GLU A 23 11.195 -6.726 5.735 1.00 15.44 H new ATOM 0 HB2 GLU A 23 11.703 -8.827 3.590 1.00 42.21 H new ATOM 0 HB3 GLU A 23 12.209 -9.064 5.251 1.00 42.21 H new ATOM 0 HG2 GLU A 23 9.878 -8.918 6.033 1.00 41.55 H new ATOM 0 HG3 GLU A 23 9.324 -8.527 4.417 1.00 41.55 H new ATOM 411 N ASN A 24 13.730 -6.324 3.652 1.00 3.34 N ATOM 412 CA ASN A 24 15.099 -5.762 3.525 1.00 44.23 C ATOM 413 C ASN A 24 15.192 -4.382 4.216 1.00 60.30 C ATOM 414 O ASN A 24 16.232 -4.022 4.781 1.00 41.15 O ATOM 415 CB ASN A 24 15.510 -5.610 2.031 1.00 60.34 C ATOM 416 CG ASN A 24 15.558 -6.926 1.255 1.00 54.10 C ATOM 417 OD1 ASN A 24 15.855 -7.986 1.809 1.00 43.22 O ATOM 418 ND2 ASN A 24 15.264 -6.869 -0.036 1.00 52.54 N ATOM 0 H ASN A 24 13.265 -6.470 2.756 1.00 3.34 H new ATOM 0 HA ASN A 24 15.780 -6.460 4.012 1.00 44.23 H new ATOM 0 HB2 ASN A 24 14.807 -4.937 1.540 1.00 60.34 H new ATOM 0 HB3 ASN A 24 16.491 -5.137 1.982 1.00 60.34 H new ATOM 0 HD21 ASN A 24 15.280 -7.718 -0.601 1.00 52.54 H new ATOM 0 HD22 ASN A 24 15.022 -5.976 -0.465 1.00 52.54 H new ATOM 425 N GLN A 25 14.088 -3.612 4.138 1.00 21.13 N ATOM 426 CA GLN A 25 14.000 -2.254 4.715 1.00 54.31 C ATOM 427 C GLN A 25 13.486 -2.304 6.176 1.00 40.53 C ATOM 428 O GLN A 25 13.481 -1.286 6.871 1.00 62.31 O ATOM 429 CB GLN A 25 13.068 -1.370 3.841 1.00 0.55 C ATOM 430 CG GLN A 25 13.370 -1.401 2.325 1.00 41.33 C ATOM 431 CD GLN A 25 14.792 -0.972 1.958 1.00 34.33 C ATOM 432 OE1 GLN A 25 15.069 0.210 1.758 1.00 4.52 O ATOM 433 NE2 GLN A 25 15.696 -1.935 1.829 1.00 32.55 N ATOM 0 H GLN A 25 13.232 -3.914 3.673 1.00 21.13 H new ATOM 0 HA GLN A 25 14.998 -1.817 4.727 1.00 54.31 H new ATOM 0 HB2 GLN A 25 12.038 -1.690 3.997 1.00 0.55 H new ATOM 0 HB3 GLN A 25 13.138 -0.339 4.189 1.00 0.55 H new ATOM 0 HG2 GLN A 25 13.200 -2.411 1.953 1.00 41.33 H new ATOM 0 HG3 GLN A 25 12.663 -0.750 1.812 1.00 41.33 H new ATOM 0 HE21 GLN A 25 15.435 -2.906 2.002 1.00 32.55 H new ATOM 0 HE22 GLN A 25 16.652 -1.704 1.557 1.00 32.55 H new ATOM 442 N GLY A 26 13.026 -3.495 6.612 1.00 20.43 N ATOM 443 CA GLY A 26 12.640 -3.742 8.006 1.00 22.13 C ATOM 444 C GLY A 26 11.197 -3.364 8.340 1.00 51.44 C ATOM 445 O GLY A 26 10.909 -2.956 9.469 1.00 5.10 O ATOM 0 H GLY A 26 12.914 -4.307 6.005 1.00 20.43 H new ATOM 0 HA2 GLY A 26 12.786 -4.799 8.229 1.00 22.13 H new ATOM 0 HA3 GLY A 26 13.309 -3.183 8.660 1.00 22.13 H new ATOM 449 N TYR A 27 10.299 -3.484 7.357 1.00 0.44 N ATOM 450 CA TYR A 27 8.848 -3.316 7.562 1.00 52.10 C ATOM 451 C TYR A 27 8.249 -4.619 8.109 1.00 34.12 C ATOM 452 O TYR A 27 8.730 -5.714 7.787 1.00 30.31 O ATOM 453 CB TYR A 27 8.127 -2.951 6.227 1.00 23.22 C ATOM 454 CG TYR A 27 8.373 -1.532 5.691 1.00 62.30 C ATOM 455 CD1 TYR A 27 9.664 -1.050 5.467 1.00 63.34 C ATOM 456 CD2 TYR A 27 7.302 -0.685 5.384 1.00 1.43 C ATOM 457 CE1 TYR A 27 9.878 0.226 4.973 1.00 64.43 C ATOM 458 CE2 TYR A 27 7.512 0.586 4.897 1.00 33.25 C ATOM 459 CZ TYR A 27 8.800 1.038 4.685 1.00 73.34 C ATOM 460 OH TYR A 27 9.009 2.309 4.183 1.00 61.33 O ATOM 0 H TYR A 27 10.553 -3.701 6.393 1.00 0.44 H new ATOM 0 HA TYR A 27 8.701 -2.503 8.273 1.00 52.10 H new ATOM 0 HB2 TYR A 27 8.437 -3.664 5.464 1.00 23.22 H new ATOM 0 HB3 TYR A 27 7.054 -3.083 6.369 1.00 23.22 H new ATOM 0 HD1 TYR A 27 10.511 -1.684 5.683 1.00 63.34 H new ATOM 0 HD2 TYR A 27 6.291 -1.035 5.532 1.00 1.43 H new ATOM 0 HE1 TYR A 27 10.884 0.584 4.814 1.00 64.43 H new ATOM 0 HE2 TYR A 27 6.671 1.228 4.681 1.00 33.25 H new ATOM 0 HH TYR A 27 9.532 2.252 3.356 1.00 61.33 H new ATOM 470 N GLN A 28 7.203 -4.484 8.934 1.00 1.11 N ATOM 471 CA GLN A 28 6.327 -5.610 9.298 1.00 5.34 C ATOM 472 C GLN A 28 5.344 -5.848 8.147 1.00 62.10 C ATOM 473 O GLN A 28 5.111 -4.949 7.336 1.00 61.34 O ATOM 474 CB GLN A 28 5.538 -5.337 10.616 1.00 73.55 C ATOM 475 CG GLN A 28 6.372 -5.366 11.914 1.00 52.32 C ATOM 476 CD GLN A 28 7.346 -4.197 12.084 1.00 45.55 C ATOM 477 OE1 GLN A 28 7.000 -3.026 11.563 1.00 50.35 O flip ATOM 478 NE2 GLN A 28 8.397 -4.337 12.711 1.00 3.52 N flip ATOM 0 H GLN A 28 6.939 -3.599 9.366 1.00 1.11 H new ATOM 0 HA GLN A 28 6.947 -6.490 9.470 1.00 5.34 H new ATOM 0 HB2 GLN A 28 5.059 -4.361 10.535 1.00 73.55 H new ATOM 0 HB3 GLN A 28 4.742 -6.077 10.701 1.00 73.55 H new ATOM 0 HG2 GLN A 28 5.691 -5.379 12.765 1.00 52.32 H new ATOM 0 HG3 GLN A 28 6.937 -6.297 11.944 1.00 52.32 H new ATOM 0 HE21 GLN A 28 8.640 -5.247 13.102 1.00 3.52 H new ATOM 0 HE22 GLN A 28 9.024 -3.543 12.840 1.00 3.52 H new ATOM 487 N VAL A 29 4.777 -7.063 8.070 1.00 71.42 N ATOM 488 CA VAL A 29 3.803 -7.427 7.021 1.00 40.45 C ATOM 489 C VAL A 29 2.576 -8.110 7.660 1.00 14.44 C ATOM 490 O VAL A 29 2.717 -9.159 8.309 1.00 0.13 O ATOM 491 CB VAL A 29 4.411 -8.390 5.920 1.00 32.03 C ATOM 492 CG1 VAL A 29 3.387 -8.606 4.779 1.00 73.21 C ATOM 493 CG2 VAL A 29 5.771 -7.882 5.366 1.00 75.12 C ATOM 0 H VAL A 29 4.977 -7.817 8.727 1.00 71.42 H new ATOM 0 HA VAL A 29 3.517 -6.499 6.526 1.00 40.45 H new ATOM 0 HB VAL A 29 4.616 -9.347 6.400 1.00 32.03 H new ATOM 0 HG11 VAL A 29 3.815 -9.269 4.027 1.00 73.21 H new ATOM 0 HG12 VAL A 29 2.480 -9.054 5.184 1.00 73.21 H new ATOM 0 HG13 VAL A 29 3.145 -7.647 4.321 1.00 73.21 H new ATOM 0 HG21 VAL A 29 6.142 -8.580 4.615 1.00 75.12 H new ATOM 0 HG22 VAL A 29 5.635 -6.900 4.913 1.00 75.12 H new ATOM 0 HG23 VAL A 29 6.491 -7.809 6.181 1.00 75.12 H new ATOM 503 N ARG A 30 1.388 -7.502 7.486 1.00 34.11 N ATOM 504 CA ARG A 30 0.098 -8.121 7.830 1.00 63.03 C ATOM 505 C ARG A 30 -0.869 -7.960 6.635 1.00 32.42 C ATOM 506 O ARG A 30 -0.663 -7.094 5.783 1.00 61.14 O ATOM 507 CB ARG A 30 -0.513 -7.514 9.132 1.00 72.44 C ATOM 508 CG ARG A 30 -1.653 -8.388 9.690 1.00 42.13 C ATOM 509 CD ARG A 30 -2.427 -7.811 10.879 1.00 62.44 C ATOM 510 NE ARG A 30 -3.442 -8.787 11.333 1.00 12.25 N ATOM 511 CZ ARG A 30 -4.592 -9.067 10.690 1.00 41.45 C ATOM 512 NH1 ARG A 30 -4.929 -8.447 9.569 1.00 71.50 N ATOM 513 NH2 ARG A 30 -5.391 -10.011 11.163 1.00 74.15 N ATOM 0 H ARG A 30 1.297 -6.562 7.100 1.00 34.11 H new ATOM 0 HA ARG A 30 0.261 -9.180 8.030 1.00 63.03 H new ATOM 0 HB2 ARG A 30 0.268 -7.410 9.886 1.00 72.44 H new ATOM 0 HB3 ARG A 30 -0.891 -6.513 8.924 1.00 72.44 H new ATOM 0 HG2 ARG A 30 -2.360 -8.585 8.884 1.00 42.13 H new ATOM 0 HG3 ARG A 30 -1.234 -9.349 9.988 1.00 42.13 H new ATOM 0 HD2 ARG A 30 -1.741 -7.579 11.694 1.00 62.44 H new ATOM 0 HD3 ARG A 30 -2.909 -6.876 10.593 1.00 62.44 H new ATOM 0 HE ARG A 30 -3.256 -9.288 12.202 1.00 12.25 H new ATOM 0 HH11 ARG A 30 -4.312 -7.738 9.173 1.00 71.50 H new ATOM 0 HH12 ARG A 30 -5.806 -8.678 9.102 1.00 71.50 H new ATOM 0 HH21 ARG A 30 -5.134 -10.520 12.009 1.00 74.15 H new ATOM 0 HH22 ARG A 30 -6.264 -10.229 10.682 1.00 74.15 H new ATOM 527 N ASP A 31 -1.917 -8.801 6.569 1.00 63.11 N ATOM 528 CA ASP A 31 -2.884 -8.792 5.461 1.00 0.34 C ATOM 529 C ASP A 31 -4.331 -8.688 5.982 1.00 3.10 C ATOM 530 O ASP A 31 -4.702 -9.344 6.962 1.00 71.13 O ATOM 531 CB ASP A 31 -2.698 -10.062 4.596 1.00 13.43 C ATOM 532 CG ASP A 31 -2.994 -11.384 5.332 1.00 4.12 C ATOM 533 OD1 ASP A 31 -2.099 -11.901 6.034 1.00 10.22 O ATOM 534 OD2 ASP A 31 -4.116 -11.919 5.197 1.00 31.32 O ATOM 0 H ASP A 31 -2.115 -9.504 7.281 1.00 63.11 H new ATOM 0 HA ASP A 31 -2.698 -7.913 4.844 1.00 0.34 H new ATOM 0 HB2 ASP A 31 -3.349 -9.992 3.725 1.00 13.43 H new ATOM 0 HB3 ASP A 31 -1.673 -10.088 4.226 1.00 13.43 H new ATOM 539 N VAL A 32 -5.127 -7.841 5.312 1.00 12.43 N ATOM 540 CA VAL A 32 -6.565 -7.669 5.570 1.00 45.43 C ATOM 541 C VAL A 32 -7.352 -8.461 4.515 1.00 63.32 C ATOM 542 O VAL A 32 -7.258 -8.158 3.320 1.00 13.32 O ATOM 543 CB VAL A 32 -6.984 -6.153 5.487 1.00 62.12 C ATOM 544 CG1 VAL A 32 -8.497 -5.970 5.711 1.00 70.34 C ATOM 545 CG2 VAL A 32 -6.173 -5.289 6.472 1.00 73.41 C ATOM 0 H VAL A 32 -4.782 -7.244 4.560 1.00 12.43 H new ATOM 0 HA VAL A 32 -6.784 -8.031 6.574 1.00 45.43 H new ATOM 0 HB VAL A 32 -6.755 -5.812 4.477 1.00 62.12 H new ATOM 0 HG11 VAL A 32 -8.749 -4.911 5.647 1.00 70.34 H new ATOM 0 HG12 VAL A 32 -9.047 -6.521 4.948 1.00 70.34 H new ATOM 0 HG13 VAL A 32 -8.767 -6.348 6.697 1.00 70.34 H new ATOM 0 HG21 VAL A 32 -6.488 -4.249 6.388 1.00 73.41 H new ATOM 0 HG22 VAL A 32 -6.345 -5.639 7.490 1.00 73.41 H new ATOM 0 HG23 VAL A 32 -5.112 -5.367 6.236 1.00 73.41 H new ATOM 555 N ASN A 33 -8.087 -9.494 4.945 1.00 45.52 N ATOM 556 CA ASN A 33 -8.931 -10.312 4.041 1.00 25.43 C ATOM 557 C ASN A 33 -10.351 -9.722 3.927 1.00 0.34 C ATOM 558 O ASN A 33 -10.985 -9.831 2.876 1.00 41.24 O ATOM 559 CB ASN A 33 -9.001 -11.788 4.517 1.00 31.32 C ATOM 560 CG ASN A 33 -7.628 -12.459 4.581 1.00 51.43 C ATOM 561 OD1 ASN A 33 -7.161 -13.048 3.600 1.00 21.55 O ATOM 562 ND2 ASN A 33 -6.967 -12.367 5.730 1.00 61.33 N ATOM 0 H ASN A 33 -8.119 -9.791 5.920 1.00 45.52 H new ATOM 0 HA ASN A 33 -8.467 -10.293 3.055 1.00 25.43 H new ATOM 0 HB2 ASN A 33 -9.464 -11.825 5.503 1.00 31.32 H new ATOM 0 HB3 ASN A 33 -9.644 -12.352 3.842 1.00 31.32 H new ATOM 0 HD21 ASN A 33 -6.044 -12.790 5.822 1.00 61.33 H new ATOM 0 HD22 ASN A 33 -7.383 -11.873 6.520 1.00 61.33 H new ATOM 569 N ASP A 34 -10.836 -9.075 5.005 1.00 2.43 N ATOM 570 CA ASP A 34 -12.230 -8.561 5.080 1.00 52.41 C ATOM 571 C ASP A 34 -12.297 -7.235 5.862 1.00 12.43 C ATOM 572 O ASP A 34 -11.391 -6.919 6.641 1.00 60.33 O ATOM 573 CB ASP A 34 -13.146 -9.639 5.735 1.00 14.10 C ATOM 574 CG ASP A 34 -14.642 -9.270 5.760 1.00 4.21 C ATOM 575 OD1 ASP A 34 -15.312 -9.376 4.709 1.00 34.42 O ATOM 576 OD2 ASP A 34 -15.148 -8.844 6.820 1.00 72.53 O ATOM 0 H ASP A 34 -10.284 -8.892 5.843 1.00 2.43 H new ATOM 0 HA ASP A 34 -12.583 -8.358 4.069 1.00 52.41 H new ATOM 0 HB2 ASP A 34 -13.025 -10.578 5.196 1.00 14.10 H new ATOM 0 HB3 ASP A 34 -12.809 -9.812 6.757 1.00 14.10 H new ATOM 581 N SER A 35 -13.406 -6.491 5.647 1.00 10.32 N ATOM 582 CA SER A 35 -13.679 -5.177 6.261 1.00 75.34 C ATOM 583 C SER A 35 -13.635 -5.221 7.800 1.00 53.23 C ATOM 584 O SER A 35 -13.304 -4.210 8.437 1.00 24.51 O ATOM 585 CB SER A 35 -15.052 -4.663 5.780 1.00 71.20 C ATOM 586 OG SER A 35 -15.318 -3.357 6.262 1.00 53.55 O ATOM 0 H SER A 35 -14.154 -6.799 5.025 1.00 10.32 H new ATOM 0 HA SER A 35 -12.891 -4.494 5.945 1.00 75.34 H new ATOM 0 HB2 SER A 35 -15.079 -4.662 4.690 1.00 71.20 H new ATOM 0 HB3 SER A 35 -15.834 -5.343 6.118 1.00 71.20 H new ATOM 0 HG SER A 35 -16.194 -3.061 5.938 1.00 53.55 H new ATOM 592 N ASP A 36 -13.980 -6.394 8.379 1.00 73.45 N ATOM 593 CA ASP A 36 -13.908 -6.628 9.828 1.00 13.24 C ATOM 594 C ASP A 36 -12.481 -6.392 10.331 1.00 50.44 C ATOM 595 O ASP A 36 -12.261 -5.549 11.204 1.00 21.30 O ATOM 596 CB ASP A 36 -14.378 -8.063 10.207 1.00 71.15 C ATOM 597 CG ASP A 36 -14.140 -8.388 11.704 1.00 14.25 C ATOM 598 OD1 ASP A 36 -14.890 -7.869 12.562 1.00 14.34 O ATOM 599 OD2 ASP A 36 -13.199 -9.155 12.025 1.00 34.50 O ATOM 0 H ASP A 36 -14.315 -7.200 7.850 1.00 73.45 H new ATOM 0 HA ASP A 36 -14.583 -5.921 10.309 1.00 13.24 H new ATOM 0 HB2 ASP A 36 -15.439 -8.166 9.980 1.00 71.15 H new ATOM 0 HB3 ASP A 36 -13.848 -8.790 9.592 1.00 71.15 H new ATOM 604 N GLU A 37 -11.523 -7.117 9.728 1.00 23.14 N ATOM 605 CA GLU A 37 -10.101 -7.036 10.094 1.00 64.44 C ATOM 606 C GLU A 37 -9.567 -5.617 9.885 1.00 22.14 C ATOM 607 O GLU A 37 -8.849 -5.098 10.743 1.00 24.32 O ATOM 608 CB GLU A 37 -9.258 -8.040 9.280 1.00 5.25 C ATOM 609 CG GLU A 37 -9.711 -9.496 9.430 1.00 70.03 C ATOM 610 CD GLU A 37 -8.696 -10.470 8.840 1.00 15.21 C ATOM 611 OE1 GLU A 37 -8.753 -10.737 7.634 1.00 53.12 O ATOM 612 OE2 GLU A 37 -7.813 -10.940 9.587 1.00 30.31 O ATOM 0 H GLU A 37 -11.714 -7.776 8.973 1.00 23.14 H new ATOM 0 HA GLU A 37 -10.018 -7.292 11.150 1.00 64.44 H new ATOM 0 HB2 GLU A 37 -9.299 -7.764 8.226 1.00 5.25 H new ATOM 0 HB3 GLU A 37 -8.216 -7.960 9.590 1.00 5.25 H new ATOM 0 HG2 GLU A 37 -9.861 -9.723 10.486 1.00 70.03 H new ATOM 0 HG3 GLU A 37 -10.673 -9.630 8.935 1.00 70.03 H new ATOM 619 N LEU A 38 -9.992 -5.006 8.756 1.00 32.32 N ATOM 620 CA LEU A 38 -9.631 -3.632 8.373 1.00 20.00 C ATOM 621 C LEU A 38 -9.834 -2.659 9.540 1.00 53.43 C ATOM 622 O LEU A 38 -8.863 -2.103 10.057 1.00 62.35 O ATOM 623 CB LEU A 38 -10.489 -3.187 7.154 1.00 4.42 C ATOM 624 CG LEU A 38 -10.287 -1.723 6.653 1.00 31.54 C ATOM 625 CD1 LEU A 38 -8.868 -1.507 6.111 1.00 53.43 C ATOM 626 CD2 LEU A 38 -11.357 -1.334 5.609 1.00 14.12 C ATOM 0 H LEU A 38 -10.603 -5.464 8.080 1.00 32.32 H new ATOM 0 HA LEU A 38 -8.575 -3.617 8.103 1.00 20.00 H new ATOM 0 HB2 LEU A 38 -10.279 -3.863 6.325 1.00 4.42 H new ATOM 0 HB3 LEU A 38 -11.540 -3.317 7.412 1.00 4.42 H new ATOM 0 HG LEU A 38 -10.411 -1.062 7.511 1.00 31.54 H new ATOM 0 HD11 LEU A 38 -8.761 -0.477 5.770 1.00 53.43 H new ATOM 0 HD12 LEU A 38 -8.143 -1.705 6.900 1.00 53.43 H new ATOM 0 HD13 LEU A 38 -8.690 -2.185 5.276 1.00 53.43 H new ATOM 0 HD21 LEU A 38 -11.188 -0.309 5.280 1.00 14.12 H new ATOM 0 HD22 LEU A 38 -11.291 -2.005 4.753 1.00 14.12 H new ATOM 0 HD23 LEU A 38 -12.348 -1.413 6.057 1.00 14.12 H new ATOM 638 N LYS A 39 -11.092 -2.529 9.997 1.00 73.31 N ATOM 639 CA LYS A 39 -11.448 -1.561 11.041 1.00 71.31 C ATOM 640 C LYS A 39 -10.879 -1.962 12.416 1.00 60.14 C ATOM 641 O LYS A 39 -10.487 -1.090 13.185 1.00 50.23 O ATOM 642 CB LYS A 39 -12.985 -1.311 11.067 1.00 51.23 C ATOM 643 CG LYS A 39 -13.897 -2.563 11.132 1.00 63.33 C ATOM 644 CD LYS A 39 -14.143 -3.118 12.560 1.00 43.31 C ATOM 645 CE LYS A 39 -15.099 -4.320 12.545 1.00 34.50 C ATOM 646 NZ LYS A 39 -15.305 -4.912 13.890 1.00 63.24 N ATOM 0 H LYS A 39 -11.877 -3.084 9.657 1.00 73.31 H new ATOM 0 HA LYS A 39 -10.978 -0.609 10.793 1.00 71.31 H new ATOM 0 HB2 LYS A 39 -13.212 -0.681 11.927 1.00 51.23 H new ATOM 0 HB3 LYS A 39 -13.252 -0.743 10.176 1.00 51.23 H new ATOM 0 HG2 LYS A 39 -14.859 -2.317 10.683 1.00 63.33 H new ATOM 0 HG3 LYS A 39 -13.453 -3.350 10.523 1.00 63.33 H new ATOM 0 HD2 LYS A 39 -13.193 -3.414 13.004 1.00 43.31 H new ATOM 0 HD3 LYS A 39 -14.558 -2.331 13.190 1.00 43.31 H new ATOM 0 HE2 LYS A 39 -16.061 -4.007 12.140 1.00 34.50 H new ATOM 0 HE3 LYS A 39 -14.704 -5.083 11.874 1.00 34.50 H new ATOM 0 HZ1 LYS A 39 -16.215 -5.415 13.912 1.00 63.24 H new ATOM 0 HZ2 LYS A 39 -14.535 -5.579 14.097 1.00 63.24 H new ATOM 0 HZ3 LYS A 39 -15.310 -4.157 14.605 1.00 63.24 H new ATOM 660 N LYS A 40 -10.782 -3.282 12.690 1.00 24.54 N ATOM 661 CA LYS A 40 -10.242 -3.795 13.970 1.00 62.34 C ATOM 662 C LYS A 40 -8.803 -3.297 14.201 1.00 1.22 C ATOM 663 O LYS A 40 -8.508 -2.699 15.242 1.00 61.04 O ATOM 664 CB LYS A 40 -10.289 -5.353 14.012 1.00 21.42 C ATOM 665 CG LYS A 40 -11.692 -5.997 14.197 1.00 11.44 C ATOM 666 CD LYS A 40 -12.154 -6.107 15.678 1.00 33.12 C ATOM 667 CE LYS A 40 -12.634 -4.789 16.307 1.00 53.33 C ATOM 668 NZ LYS A 40 -13.140 -5.001 17.694 1.00 12.04 N ATOM 0 H LYS A 40 -11.071 -4.013 12.040 1.00 24.54 H new ATOM 0 HA LYS A 40 -10.872 -3.410 14.772 1.00 62.34 H new ATOM 0 HB2 LYS A 40 -9.858 -5.733 13.086 1.00 21.42 H new ATOM 0 HB3 LYS A 40 -9.647 -5.692 14.825 1.00 21.42 H new ATOM 0 HG2 LYS A 40 -12.424 -5.410 13.643 1.00 11.44 H new ATOM 0 HG3 LYS A 40 -11.683 -6.994 13.756 1.00 11.44 H new ATOM 0 HD2 LYS A 40 -12.962 -6.836 15.738 1.00 33.12 H new ATOM 0 HD3 LYS A 40 -11.328 -6.497 16.273 1.00 33.12 H new ATOM 0 HE2 LYS A 40 -11.814 -4.072 16.323 1.00 53.33 H new ATOM 0 HE3 LYS A 40 -13.423 -4.357 15.692 1.00 53.33 H new ATOM 0 HZ1 LYS A 40 -13.456 -4.093 18.091 1.00 12.04 H new ATOM 0 HZ2 LYS A 40 -13.938 -5.667 17.674 1.00 12.04 H new ATOM 0 HZ3 LYS A 40 -12.379 -5.391 18.286 1.00 12.04 H new ATOM 682 N GLU A 41 -7.934 -3.498 13.190 1.00 51.44 N ATOM 683 CA GLU A 41 -6.514 -3.124 13.286 1.00 62.22 C ATOM 684 C GLU A 41 -6.318 -1.620 13.034 1.00 22.03 C ATOM 685 O GLU A 41 -5.402 -1.038 13.597 1.00 45.50 O ATOM 686 CB GLU A 41 -5.639 -3.995 12.344 1.00 22.03 C ATOM 687 CG GLU A 41 -5.895 -3.834 10.828 1.00 11.32 C ATOM 688 CD GLU A 41 -5.401 -5.040 10.010 1.00 14.40 C ATOM 689 OE1 GLU A 41 -6.195 -5.988 9.809 1.00 15.23 O ATOM 690 OE2 GLU A 41 -4.214 -5.067 9.597 1.00 33.32 O ATOM 0 H GLU A 41 -8.194 -3.918 12.298 1.00 51.44 H new ATOM 0 HA GLU A 41 -6.180 -3.323 14.304 1.00 62.22 H new ATOM 0 HB2 GLU A 41 -4.592 -3.765 12.540 1.00 22.03 H new ATOM 0 HB3 GLU A 41 -5.790 -5.042 12.607 1.00 22.03 H new ATOM 0 HG2 GLU A 41 -6.963 -3.697 10.657 1.00 11.32 H new ATOM 0 HG3 GLU A 41 -5.397 -2.932 10.474 1.00 11.32 H new ATOM 697 N MET A 42 -7.216 -0.984 12.239 1.00 42.15 N ATOM 698 CA MET A 42 -7.149 0.479 11.976 1.00 4.13 C ATOM 699 C MET A 42 -7.415 1.293 13.256 1.00 30.11 C ATOM 700 O MET A 42 -6.882 2.399 13.405 1.00 63.54 O ATOM 701 CB MET A 42 -8.116 0.923 10.832 1.00 20.11 C ATOM 702 CG MET A 42 -7.568 0.681 9.414 1.00 23.43 C ATOM 703 SD MET A 42 -6.010 1.550 9.103 1.00 2.41 S ATOM 704 CE MET A 42 -6.482 3.270 9.307 1.00 12.33 C ATOM 0 H MET A 42 -7.990 -1.456 11.772 1.00 42.15 H new ATOM 0 HA MET A 42 -6.133 0.686 11.641 1.00 4.13 H new ATOM 0 HB2 MET A 42 -9.060 0.388 10.941 1.00 20.11 H new ATOM 0 HB3 MET A 42 -8.336 1.984 10.948 1.00 20.11 H new ATOM 0 HG2 MET A 42 -7.418 -0.388 9.266 1.00 23.43 H new ATOM 0 HG3 MET A 42 -8.310 1.003 8.683 1.00 23.43 H new ATOM 0 HE1 MET A 42 -5.661 3.913 8.988 1.00 12.33 H new ATOM 0 HE2 MET A 42 -7.364 3.480 8.701 1.00 12.33 H new ATOM 0 HE3 MET A 42 -6.708 3.463 10.356 1.00 12.33 H new ATOM 714 N LYS A 43 -8.239 0.741 14.167 1.00 70.43 N ATOM 715 CA LYS A 43 -8.456 1.326 15.505 1.00 63.33 C ATOM 716 C LYS A 43 -7.150 1.248 16.325 1.00 4.40 C ATOM 717 O LYS A 43 -6.780 2.215 16.985 1.00 51.21 O ATOM 718 CB LYS A 43 -9.638 0.624 16.260 1.00 64.32 C ATOM 719 CG LYS A 43 -11.026 1.311 16.121 1.00 53.35 C ATOM 720 CD LYS A 43 -11.545 1.355 14.671 1.00 4.14 C ATOM 721 CE LYS A 43 -12.929 2.004 14.546 1.00 61.43 C ATOM 722 NZ LYS A 43 -12.907 3.444 14.926 1.00 12.35 N ATOM 0 H LYS A 43 -8.768 -0.115 13.999 1.00 70.43 H new ATOM 0 HA LYS A 43 -8.736 2.372 15.381 1.00 63.33 H new ATOM 0 HB2 LYS A 43 -9.721 -0.400 15.895 1.00 64.32 H new ATOM 0 HB3 LYS A 43 -9.386 0.566 17.319 1.00 64.32 H new ATOM 0 HG2 LYS A 43 -11.749 0.782 16.742 1.00 53.35 H new ATOM 0 HG3 LYS A 43 -10.960 2.328 16.506 1.00 53.35 H new ATOM 0 HD2 LYS A 43 -10.835 1.906 14.054 1.00 4.14 H new ATOM 0 HD3 LYS A 43 -11.590 0.340 14.277 1.00 4.14 H new ATOM 0 HE2 LYS A 43 -13.284 1.905 13.520 1.00 61.43 H new ATOM 0 HE3 LYS A 43 -13.637 1.472 15.181 1.00 61.43 H new ATOM 0 HZ1 LYS A 43 -13.841 3.865 14.747 1.00 12.35 H new ATOM 0 HZ2 LYS A 43 -12.675 3.533 15.936 1.00 12.35 H new ATOM 0 HZ3 LYS A 43 -12.189 3.941 14.361 1.00 12.35 H new ATOM 736 N LYS A 44 -6.444 0.103 16.224 1.00 63.52 N ATOM 737 CA LYS A 44 -5.181 -0.144 16.967 1.00 30.11 C ATOM 738 C LYS A 44 -4.063 0.798 16.460 1.00 33.23 C ATOM 739 O LYS A 44 -3.270 1.326 17.251 1.00 41.11 O ATOM 740 CB LYS A 44 -4.738 -1.630 16.811 1.00 30.43 C ATOM 741 CG LYS A 44 -5.849 -2.680 17.056 1.00 74.33 C ATOM 742 CD LYS A 44 -6.493 -2.658 18.470 1.00 42.54 C ATOM 743 CE LYS A 44 -5.619 -3.297 19.569 1.00 30.23 C ATOM 744 NZ LYS A 44 -4.392 -2.513 19.877 1.00 52.23 N ATOM 0 H LYS A 44 -6.728 -0.676 15.629 1.00 63.52 H new ATOM 0 HA LYS A 44 -5.360 0.059 18.023 1.00 30.11 H new ATOM 0 HB2 LYS A 44 -4.343 -1.771 15.805 1.00 30.43 H new ATOM 0 HB3 LYS A 44 -3.919 -1.823 17.504 1.00 30.43 H new ATOM 0 HG2 LYS A 44 -6.635 -2.530 16.316 1.00 74.33 H new ATOM 0 HG3 LYS A 44 -5.432 -3.672 16.882 1.00 74.33 H new ATOM 0 HD2 LYS A 44 -6.706 -1.625 18.745 1.00 42.54 H new ATOM 0 HD3 LYS A 44 -7.449 -3.181 18.431 1.00 42.54 H new ATOM 0 HE2 LYS A 44 -6.211 -3.404 20.478 1.00 30.23 H new ATOM 0 HE3 LYS A 44 -5.331 -4.301 19.257 1.00 30.23 H new ATOM 0 HZ1 LYS A 44 -4.140 -2.642 20.878 1.00 52.23 H new ATOM 0 HZ2 LYS A 44 -3.609 -2.844 19.277 1.00 52.23 H new ATOM 0 HZ3 LYS A 44 -4.568 -1.505 19.691 1.00 52.23 H new ATOM 758 N LEU A 45 -4.045 1.012 15.126 1.00 31.32 N ATOM 759 CA LEU A 45 -3.075 1.885 14.440 1.00 10.33 C ATOM 760 C LEU A 45 -3.304 3.351 14.841 1.00 44.32 C ATOM 761 O LEU A 45 -2.352 4.079 15.138 1.00 24.54 O ATOM 762 CB LEU A 45 -3.199 1.728 12.890 1.00 35.41 C ATOM 763 CG LEU A 45 -2.920 0.302 12.313 1.00 73.15 C ATOM 764 CD1 LEU A 45 -3.168 0.242 10.792 1.00 42.53 C ATOM 765 CD2 LEU A 45 -1.507 -0.177 12.668 1.00 74.25 C ATOM 0 H LEU A 45 -4.713 0.577 14.490 1.00 31.32 H new ATOM 0 HA LEU A 45 -2.070 1.589 14.741 1.00 10.33 H new ATOM 0 HB2 LEU A 45 -4.206 2.025 12.596 1.00 35.41 H new ATOM 0 HB3 LEU A 45 -2.509 2.428 12.419 1.00 35.41 H new ATOM 0 HG LEU A 45 -3.628 -0.381 12.782 1.00 73.15 H new ATOM 0 HD11 LEU A 45 -2.963 -0.765 10.429 1.00 42.53 H new ATOM 0 HD12 LEU A 45 -4.206 0.499 10.582 1.00 42.53 H new ATOM 0 HD13 LEU A 45 -2.510 0.950 10.288 1.00 42.53 H new ATOM 0 HD21 LEU A 45 -1.345 -1.171 12.252 1.00 74.25 H new ATOM 0 HD22 LEU A 45 -0.773 0.514 12.253 1.00 74.25 H new ATOM 0 HD23 LEU A 45 -1.397 -0.215 13.752 1.00 74.25 H new ATOM 777 N ALA A 46 -4.589 3.754 14.856 1.00 25.51 N ATOM 778 CA ALA A 46 -5.009 5.123 15.193 1.00 63.45 C ATOM 779 C ALA A 46 -4.640 5.482 16.645 1.00 42.04 C ATOM 780 O ALA A 46 -4.063 6.547 16.900 1.00 61.44 O ATOM 781 CB ALA A 46 -6.520 5.283 14.952 1.00 53.33 C ATOM 0 H ALA A 46 -5.367 3.134 14.633 1.00 25.51 H new ATOM 0 HA ALA A 46 -4.475 5.816 14.543 1.00 63.45 H new ATOM 0 HB1 ALA A 46 -6.823 6.299 15.204 1.00 53.33 H new ATOM 0 HB2 ALA A 46 -6.744 5.087 13.903 1.00 53.33 H new ATOM 0 HB3 ALA A 46 -7.065 4.576 15.578 1.00 53.33 H new ATOM 787 N GLU A 47 -4.956 4.564 17.576 1.00 63.54 N ATOM 788 CA GLU A 47 -4.745 4.771 19.020 1.00 44.41 C ATOM 789 C GLU A 47 -3.245 4.757 19.402 1.00 31.32 C ATOM 790 O GLU A 47 -2.679 5.800 19.757 1.00 14.03 O ATOM 791 CB GLU A 47 -5.527 3.701 19.828 1.00 34.54 C ATOM 792 CG GLU A 47 -7.061 3.788 19.692 1.00 32.42 C ATOM 793 CD GLU A 47 -7.649 5.111 20.212 1.00 62.15 C ATOM 794 OE1 GLU A 47 -7.684 5.307 21.446 1.00 11.53 O ATOM 795 OE2 GLU A 47 -8.068 5.965 19.395 1.00 41.10 O ATOM 0 H GLU A 47 -5.365 3.658 17.348 1.00 63.54 H new ATOM 0 HA GLU A 47 -5.125 5.761 19.271 1.00 44.41 H new ATOM 0 HB2 GLU A 47 -5.202 2.712 19.505 1.00 34.54 H new ATOM 0 HB3 GLU A 47 -5.263 3.795 20.881 1.00 34.54 H new ATOM 0 HG2 GLU A 47 -7.332 3.666 18.643 1.00 32.42 H new ATOM 0 HG3 GLU A 47 -7.514 2.959 20.237 1.00 32.42 H new ATOM 802 N GLU A 48 -2.597 3.584 19.290 1.00 72.44 N ATOM 803 CA GLU A 48 -1.241 3.359 19.840 1.00 73.32 C ATOM 804 C GLU A 48 -0.512 2.262 19.041 1.00 1.33 C ATOM 805 O GLU A 48 -0.913 1.093 19.096 1.00 14.43 O ATOM 806 CB GLU A 48 -1.356 2.944 21.338 1.00 44.10 C ATOM 807 CG GLU A 48 -0.018 2.706 22.088 1.00 11.40 C ATOM 808 CD GLU A 48 0.662 3.996 22.580 1.00 24.21 C ATOM 809 OE1 GLU A 48 0.234 4.541 23.620 1.00 3.03 O ATOM 810 OE2 GLU A 48 1.628 4.467 21.943 1.00 1.14 O ATOM 0 H GLU A 48 -2.991 2.769 18.820 1.00 72.44 H new ATOM 0 HA GLU A 48 -0.665 4.281 19.761 1.00 73.32 H new ATOM 0 HB2 GLU A 48 -1.912 3.719 21.866 1.00 44.10 H new ATOM 0 HB3 GLU A 48 -1.948 2.031 21.396 1.00 44.10 H new ATOM 0 HG2 GLU A 48 -0.203 2.056 22.943 1.00 11.40 H new ATOM 0 HG3 GLU A 48 0.668 2.175 21.427 1.00 11.40 H new ATOM 817 N LYS A 49 0.530 2.653 18.286 1.00 73.05 N ATOM 818 CA LYS A 49 1.483 1.707 17.654 1.00 15.11 C ATOM 819 C LYS A 49 2.779 2.434 17.211 1.00 22.54 C ATOM 820 O LYS A 49 3.677 1.817 16.620 1.00 51.24 O ATOM 821 CB LYS A 49 0.813 0.920 16.473 1.00 34.13 C ATOM 822 CG LYS A 49 1.644 -0.298 15.982 1.00 44.44 C ATOM 823 CD LYS A 49 0.812 -1.389 15.278 1.00 62.51 C ATOM 824 CE LYS A 49 1.677 -2.587 14.840 1.00 20.01 C ATOM 825 NZ LYS A 49 2.481 -3.143 15.969 1.00 43.32 N ATOM 0 H LYS A 49 0.740 3.632 18.093 1.00 73.05 H new ATOM 0 HA LYS A 49 1.768 0.968 18.403 1.00 15.11 H new ATOM 0 HB2 LYS A 49 -0.170 0.573 16.791 1.00 34.13 H new ATOM 0 HB3 LYS A 49 0.656 1.602 15.637 1.00 34.13 H new ATOM 0 HG2 LYS A 49 2.414 0.055 15.296 1.00 44.44 H new ATOM 0 HG3 LYS A 49 2.156 -0.742 16.836 1.00 44.44 H new ATOM 0 HD2 LYS A 49 0.027 -1.736 15.950 1.00 62.51 H new ATOM 0 HD3 LYS A 49 0.318 -0.961 14.406 1.00 62.51 H new ATOM 0 HE2 LYS A 49 1.034 -3.368 14.434 1.00 20.01 H new ATOM 0 HE3 LYS A 49 2.346 -2.276 14.038 1.00 20.01 H new ATOM 0 HZ1 LYS A 49 2.858 -4.074 15.701 1.00 43.32 H new ATOM 0 HZ2 LYS A 49 3.269 -2.499 16.184 1.00 43.32 H new ATOM 0 HZ3 LYS A 49 1.876 -3.243 16.809 1.00 43.32 H new ATOM 839 N ASN A 50 2.862 3.758 17.521 1.00 22.31 N ATOM 840 CA ASN A 50 4.067 4.610 17.302 1.00 54.22 C ATOM 841 C ASN A 50 4.330 4.808 15.779 1.00 71.31 C ATOM 842 O ASN A 50 3.631 4.225 14.940 1.00 5.54 O ATOM 843 CB ASN A 50 5.299 3.987 18.058 1.00 30.34 C ATOM 844 CG ASN A 50 6.431 4.961 18.418 1.00 73.02 C ATOM 845 OD1 ASN A 50 6.684 5.941 17.725 1.00 63.43 O ATOM 846 ND2 ASN A 50 7.137 4.681 19.510 1.00 33.15 N ATOM 0 H ASN A 50 2.084 4.271 17.936 1.00 22.31 H new ATOM 0 HA ASN A 50 3.897 5.604 17.717 1.00 54.22 H new ATOM 0 HB2 ASN A 50 4.940 3.523 18.977 1.00 30.34 H new ATOM 0 HB3 ASN A 50 5.714 3.191 17.440 1.00 30.34 H new ATOM 0 HD21 ASN A 50 7.909 5.287 19.788 1.00 33.15 H new ATOM 0 HD22 ASN A 50 6.907 3.860 20.070 1.00 33.15 H new ATOM 853 N PHE A 51 5.272 5.699 15.425 1.00 4.31 N ATOM 854 CA PHE A 51 5.820 5.789 14.059 1.00 23.11 C ATOM 855 C PHE A 51 6.385 4.413 13.653 1.00 1.23 C ATOM 856 O PHE A 51 7.444 4.006 14.133 1.00 10.15 O ATOM 857 CB PHE A 51 6.907 6.902 14.007 1.00 14.13 C ATOM 858 CG PHE A 51 7.618 7.073 12.657 1.00 42.11 C ATOM 859 CD1 PHE A 51 7.063 7.854 11.645 1.00 72.35 C ATOM 860 CD2 PHE A 51 8.848 6.453 12.407 1.00 31.23 C ATOM 861 CE1 PHE A 51 7.710 8.006 10.432 1.00 71.00 C ATOM 862 CE2 PHE A 51 9.491 6.605 11.194 1.00 24.12 C ATOM 863 CZ PHE A 51 8.923 7.382 10.208 1.00 72.10 C ATOM 0 H PHE A 51 5.674 6.375 16.074 1.00 4.31 H new ATOM 0 HA PHE A 51 5.038 6.058 13.349 1.00 23.11 H new ATOM 0 HB2 PHE A 51 6.443 7.851 14.275 1.00 14.13 H new ATOM 0 HB3 PHE A 51 7.657 6.688 14.768 1.00 14.13 H new ATOM 0 HD1 PHE A 51 6.116 8.347 11.810 1.00 72.35 H new ATOM 0 HD2 PHE A 51 9.302 5.845 13.176 1.00 31.23 H new ATOM 0 HE1 PHE A 51 7.266 8.614 9.658 1.00 71.00 H new ATOM 0 HE2 PHE A 51 10.438 6.116 11.019 1.00 24.12 H new ATOM 0 HZ PHE A 51 9.426 7.504 9.260 1.00 72.10 H new ATOM 873 N GLU A 52 5.648 3.685 12.802 1.00 3.51 N ATOM 874 CA GLU A 52 5.981 2.298 12.452 1.00 73.25 C ATOM 875 C GLU A 52 5.806 2.060 10.947 1.00 40.52 C ATOM 876 O GLU A 52 4.920 2.634 10.309 1.00 31.31 O ATOM 877 CB GLU A 52 5.125 1.300 13.286 1.00 12.43 C ATOM 878 CG GLU A 52 5.540 -0.183 13.141 1.00 51.42 C ATOM 879 CD GLU A 52 7.009 -0.440 13.536 1.00 34.23 C ATOM 880 OE1 GLU A 52 7.284 -0.669 14.733 1.00 11.34 O ATOM 881 OE2 GLU A 52 7.907 -0.403 12.651 1.00 35.02 O ATOM 0 H GLU A 52 4.810 4.038 12.340 1.00 3.51 H new ATOM 0 HA GLU A 52 7.029 2.124 12.696 1.00 73.25 H new ATOM 0 HB2 GLU A 52 5.187 1.580 14.338 1.00 12.43 H new ATOM 0 HB3 GLU A 52 4.081 1.402 12.990 1.00 12.43 H new ATOM 0 HG2 GLU A 52 4.890 -0.799 13.762 1.00 51.42 H new ATOM 0 HG3 GLU A 52 5.387 -0.498 12.109 1.00 51.42 H new ATOM 888 N LYS A 53 6.686 1.211 10.413 1.00 14.22 N ATOM 889 CA LYS A 53 6.735 0.833 9.005 1.00 5.32 C ATOM 890 C LYS A 53 5.994 -0.504 8.836 1.00 64.20 C ATOM 891 O LYS A 53 6.497 -1.554 9.251 1.00 54.25 O ATOM 892 CB LYS A 53 8.219 0.695 8.597 1.00 21.41 C ATOM 893 CG LYS A 53 9.103 1.907 8.982 1.00 73.11 C ATOM 894 CD LYS A 53 10.607 1.565 8.979 1.00 43.35 C ATOM 895 CE LYS A 53 10.952 0.362 9.894 1.00 72.35 C ATOM 896 NZ LYS A 53 10.525 0.560 11.310 1.00 34.55 N ATOM 0 H LYS A 53 7.407 0.754 10.970 1.00 14.22 H new ATOM 0 HA LYS A 53 6.259 1.582 8.372 1.00 5.32 H new ATOM 0 HB2 LYS A 53 8.629 -0.201 9.062 1.00 21.41 H new ATOM 0 HB3 LYS A 53 8.275 0.548 7.518 1.00 21.41 H new ATOM 0 HG2 LYS A 53 8.918 2.724 8.284 1.00 73.11 H new ATOM 0 HG3 LYS A 53 8.816 2.262 9.972 1.00 73.11 H new ATOM 0 HD2 LYS A 53 10.922 1.342 7.960 1.00 43.35 H new ATOM 0 HD3 LYS A 53 11.174 2.437 9.304 1.00 43.35 H new ATOM 0 HE2 LYS A 53 10.475 -0.535 9.499 1.00 72.35 H new ATOM 0 HE3 LYS A 53 12.028 0.189 9.866 1.00 72.35 H new ATOM 0 HZ1 LYS A 53 11.208 0.101 11.946 1.00 34.55 H new ATOM 0 HZ2 LYS A 53 10.485 1.577 11.522 1.00 34.55 H new ATOM 0 HZ3 LYS A 53 9.584 0.140 11.451 1.00 34.55 H new ATOM 910 N ILE A 54 4.780 -0.454 8.277 1.00 14.23 N ATOM 911 CA ILE A 54 3.901 -1.633 8.125 1.00 60.40 C ATOM 912 C ILE A 54 3.527 -1.805 6.642 1.00 52.01 C ATOM 913 O ILE A 54 3.360 -0.822 5.924 1.00 32.01 O ATOM 914 CB ILE A 54 2.594 -1.476 9.003 1.00 13.33 C ATOM 915 CG1 ILE A 54 2.969 -1.158 10.488 1.00 41.34 C ATOM 916 CG2 ILE A 54 1.700 -2.744 8.918 1.00 54.35 C ATOM 917 CD1 ILE A 54 1.793 -0.827 11.388 1.00 25.23 C ATOM 0 H ILE A 54 4.372 0.407 7.913 1.00 14.23 H new ATOM 0 HA ILE A 54 4.436 -2.518 8.470 1.00 60.40 H new ATOM 0 HB ILE A 54 2.019 -0.640 8.604 1.00 13.33 H new ATOM 0 HG12 ILE A 54 3.497 -2.015 10.905 1.00 41.34 H new ATOM 0 HG13 ILE A 54 3.664 -0.319 10.500 1.00 41.34 H new ATOM 0 HG21 ILE A 54 0.810 -2.604 9.532 1.00 54.35 H new ATOM 0 HG22 ILE A 54 1.403 -2.911 7.883 1.00 54.35 H new ATOM 0 HG23 ILE A 54 2.258 -3.608 9.280 1.00 54.35 H new ATOM 0 HD11 ILE A 54 2.153 -0.622 12.396 1.00 25.23 H new ATOM 0 HD12 ILE A 54 1.275 0.051 11.002 1.00 25.23 H new ATOM 0 HD13 ILE A 54 1.105 -1.672 11.414 1.00 25.23 H new ATOM 929 N LEU A 55 3.417 -3.064 6.200 1.00 20.31 N ATOM 930 CA LEU A 55 2.975 -3.427 4.848 1.00 13.21 C ATOM 931 C LEU A 55 1.617 -4.125 4.974 1.00 30.52 C ATOM 932 O LEU A 55 1.539 -5.207 5.569 1.00 24.23 O ATOM 933 CB LEU A 55 3.998 -4.388 4.172 1.00 5.13 C ATOM 934 CG LEU A 55 3.711 -4.737 2.669 1.00 23.14 C ATOM 935 CD1 LEU A 55 4.117 -3.578 1.759 1.00 24.54 C ATOM 936 CD2 LEU A 55 4.385 -6.051 2.226 1.00 34.15 C ATOM 0 H LEU A 55 3.636 -3.873 6.782 1.00 20.31 H new ATOM 0 HA LEU A 55 2.898 -2.532 4.231 1.00 13.21 H new ATOM 0 HB2 LEU A 55 4.989 -3.940 4.239 1.00 5.13 H new ATOM 0 HB3 LEU A 55 4.029 -5.316 4.742 1.00 5.13 H new ATOM 0 HG LEU A 55 2.636 -4.893 2.578 1.00 23.14 H new ATOM 0 HD11 LEU A 55 3.910 -3.840 0.721 1.00 24.54 H new ATOM 0 HD12 LEU A 55 3.549 -2.688 2.029 1.00 24.54 H new ATOM 0 HD13 LEU A 55 5.182 -3.379 1.877 1.00 24.54 H new ATOM 0 HD21 LEU A 55 4.153 -6.244 1.178 1.00 34.15 H new ATOM 0 HD22 LEU A 55 5.465 -5.966 2.349 1.00 34.15 H new ATOM 0 HD23 LEU A 55 4.014 -6.874 2.837 1.00 34.15 H new ATOM 948 N ILE A 56 0.542 -3.488 4.477 1.00 32.41 N ATOM 949 CA ILE A 56 -0.806 -4.083 4.477 1.00 74.32 C ATOM 950 C ILE A 56 -1.136 -4.620 3.070 1.00 53.32 C ATOM 951 O ILE A 56 -1.184 -3.864 2.096 1.00 42.33 O ATOM 952 CB ILE A 56 -1.906 -3.063 4.952 1.00 32.41 C ATOM 953 CG1 ILE A 56 -1.641 -2.577 6.418 1.00 11.32 C ATOM 954 CG2 ILE A 56 -3.327 -3.665 4.816 1.00 22.15 C ATOM 955 CD1 ILE A 56 -1.699 -3.668 7.480 1.00 33.41 C ATOM 0 H ILE A 56 0.582 -2.555 4.068 1.00 32.41 H new ATOM 0 HA ILE A 56 -0.808 -4.906 5.191 1.00 74.32 H new ATOM 0 HB ILE A 56 -1.847 -2.193 4.298 1.00 32.41 H new ATOM 0 HG12 ILE A 56 -0.659 -2.106 6.456 1.00 11.32 H new ATOM 0 HG13 ILE A 56 -2.373 -1.809 6.668 1.00 11.32 H new ATOM 0 HG21 ILE A 56 -4.065 -2.936 5.152 1.00 22.15 H new ATOM 0 HG22 ILE A 56 -3.516 -3.919 3.773 1.00 22.15 H new ATOM 0 HG23 ILE A 56 -3.401 -4.564 5.427 1.00 22.15 H new ATOM 0 HD11 ILE A 56 -1.503 -3.233 8.460 1.00 33.41 H new ATOM 0 HD12 ILE A 56 -2.688 -4.126 7.478 1.00 33.41 H new ATOM 0 HD13 ILE A 56 -0.948 -4.427 7.263 1.00 33.41 H new ATOM 967 N LYS A 57 -1.337 -5.939 2.989 1.00 11.02 N ATOM 968 CA LYS A 57 -1.731 -6.641 1.766 1.00 53.43 C ATOM 969 C LYS A 57 -3.261 -6.839 1.737 1.00 61.24 C ATOM 970 O LYS A 57 -3.880 -7.026 2.785 1.00 41.12 O ATOM 971 CB LYS A 57 -0.974 -8.006 1.706 1.00 53.53 C ATOM 972 CG LYS A 57 -1.446 -9.006 0.606 1.00 53.14 C ATOM 973 CD LYS A 57 -2.463 -10.062 1.113 1.00 33.42 C ATOM 974 CE LYS A 57 -3.004 -10.975 0.002 1.00 33.43 C ATOM 975 NZ LYS A 57 -3.908 -12.031 0.541 1.00 12.12 N ATOM 0 H LYS A 57 -1.228 -6.561 3.790 1.00 11.02 H new ATOM 0 HA LYS A 57 -1.463 -6.052 0.889 1.00 53.43 H new ATOM 0 HB2 LYS A 57 0.086 -7.804 1.553 1.00 53.53 H new ATOM 0 HB3 LYS A 57 -1.069 -8.494 2.676 1.00 53.53 H new ATOM 0 HG2 LYS A 57 -1.897 -8.445 -0.212 1.00 53.14 H new ATOM 0 HG3 LYS A 57 -0.576 -9.520 0.198 1.00 53.14 H new ATOM 0 HD2 LYS A 57 -1.986 -10.676 1.877 1.00 33.42 H new ATOM 0 HD3 LYS A 57 -3.298 -9.550 1.591 1.00 33.42 H new ATOM 0 HE2 LYS A 57 -3.543 -10.375 -0.731 1.00 33.43 H new ATOM 0 HE3 LYS A 57 -2.170 -11.443 -0.521 1.00 33.43 H new ATOM 0 HZ1 LYS A 57 -4.252 -12.626 -0.240 1.00 12.12 H new ATOM 0 HZ2 LYS A 57 -3.387 -12.620 1.221 1.00 12.12 H new ATOM 0 HZ3 LYS A 57 -4.717 -11.585 1.018 1.00 12.12 H new ATOM 989 N SER A 58 -3.851 -6.785 0.528 1.00 34.13 N ATOM 990 CA SER A 58 -5.255 -7.174 0.289 1.00 14.23 C ATOM 991 C SER A 58 -5.474 -7.482 -1.202 1.00 64.22 C ATOM 992 O SER A 58 -4.697 -7.046 -2.064 1.00 23.34 O ATOM 993 CB SER A 58 -6.233 -6.066 0.760 1.00 25.24 C ATOM 994 OG SER A 58 -7.593 -6.421 0.527 1.00 22.25 O ATOM 0 H SER A 58 -3.367 -6.470 -0.313 1.00 34.13 H new ATOM 0 HA SER A 58 -5.461 -8.072 0.871 1.00 14.23 H new ATOM 0 HB2 SER A 58 -6.084 -5.879 1.823 1.00 25.24 H new ATOM 0 HB3 SER A 58 -6.006 -5.136 0.238 1.00 25.24 H new ATOM 0 HG SER A 58 -8.039 -5.702 0.033 1.00 22.25 H new ATOM 1000 N ASN A 59 -6.533 -8.260 -1.487 1.00 2.03 N ATOM 1001 CA ASN A 59 -6.978 -8.576 -2.864 1.00 14.11 C ATOM 1002 C ASN A 59 -8.014 -7.535 -3.339 1.00 13.14 C ATOM 1003 O ASN A 59 -8.232 -7.357 -4.540 1.00 60.04 O ATOM 1004 CB ASN A 59 -7.585 -10.010 -2.924 1.00 22.40 C ATOM 1005 CG ASN A 59 -8.982 -10.122 -2.286 1.00 41.33 C ATOM 1006 OD1 ASN A 59 -10.003 -10.013 -2.965 1.00 22.30 O ATOM 1007 ND2 ASN A 59 -9.039 -10.304 -0.980 1.00 25.02 N ATOM 0 H ASN A 59 -7.111 -8.692 -0.766 1.00 2.03 H new ATOM 0 HA ASN A 59 -6.114 -8.539 -3.527 1.00 14.11 H new ATOM 0 HB2 ASN A 59 -7.645 -10.325 -3.966 1.00 22.40 H new ATOM 0 HB3 ASN A 59 -6.910 -10.701 -2.420 1.00 22.40 H new ATOM 0 HD21 ASN A 59 -9.943 -10.357 -0.511 1.00 25.02 H new ATOM 0 HD22 ASN A 59 -8.179 -10.391 -0.439 1.00 25.02 H new ATOM 1014 N ASP A 60 -8.634 -6.848 -2.371 1.00 41.20 N ATOM 1015 CA ASP A 60 -9.717 -5.886 -2.605 1.00 32.20 C ATOM 1016 C ASP A 60 -9.205 -4.462 -2.307 1.00 2.44 C ATOM 1017 O ASP A 60 -8.851 -4.162 -1.166 1.00 53.21 O ATOM 1018 CB ASP A 60 -10.917 -6.260 -1.692 1.00 61.13 C ATOM 1019 CG ASP A 60 -12.102 -5.292 -1.816 1.00 51.23 C ATOM 1020 OD1 ASP A 60 -12.111 -4.263 -1.126 1.00 54.43 O ATOM 1021 OD2 ASP A 60 -13.022 -5.545 -2.617 1.00 25.13 O ATOM 0 H ASP A 60 -8.392 -6.948 -1.385 1.00 41.20 H new ATOM 0 HA ASP A 60 -10.046 -5.916 -3.644 1.00 32.20 H new ATOM 0 HB2 ASP A 60 -11.253 -7.267 -1.940 1.00 61.13 H new ATOM 0 HB3 ASP A 60 -10.582 -6.282 -0.655 1.00 61.13 H new ATOM 1026 N LYS A 61 -9.186 -3.594 -3.342 1.00 43.12 N ATOM 1027 CA LYS A 61 -8.685 -2.195 -3.239 1.00 53.53 C ATOM 1028 C LYS A 61 -9.694 -1.244 -2.560 1.00 33.13 C ATOM 1029 O LYS A 61 -9.335 -0.110 -2.219 1.00 31.30 O ATOM 1030 CB LYS A 61 -8.252 -1.606 -4.625 1.00 31.21 C ATOM 1031 CG LYS A 61 -9.349 -1.500 -5.726 1.00 0.41 C ATOM 1032 CD LYS A 61 -9.524 -2.788 -6.553 1.00 1.35 C ATOM 1033 CE LYS A 61 -10.573 -2.643 -7.669 1.00 31.00 C ATOM 1034 NZ LYS A 61 -11.923 -2.256 -7.153 1.00 35.12 N ATOM 0 H LYS A 61 -9.517 -3.838 -4.275 1.00 43.12 H new ATOM 0 HA LYS A 61 -7.802 -2.260 -2.603 1.00 53.53 H new ATOM 0 HB2 LYS A 61 -7.845 -0.609 -4.456 1.00 31.21 H new ATOM 0 HB3 LYS A 61 -7.440 -2.220 -5.015 1.00 31.21 H new ATOM 0 HG2 LYS A 61 -10.300 -1.249 -5.256 1.00 0.41 H new ATOM 0 HG3 LYS A 61 -9.099 -0.679 -6.398 1.00 0.41 H new ATOM 0 HD2 LYS A 61 -8.566 -3.064 -6.995 1.00 1.35 H new ATOM 0 HD3 LYS A 61 -9.816 -3.603 -5.890 1.00 1.35 H new ATOM 0 HE2 LYS A 61 -10.234 -1.893 -8.384 1.00 31.00 H new ATOM 0 HE3 LYS A 61 -10.653 -3.586 -8.210 1.00 31.00 H new ATOM 0 HZ1 LYS A 61 -12.566 -2.091 -7.953 1.00 35.12 H new ATOM 0 HZ2 LYS A 61 -12.300 -3.021 -6.558 1.00 35.12 H new ATOM 0 HZ3 LYS A 61 -11.843 -1.387 -6.588 1.00 35.12 H new ATOM 1048 N GLN A 62 -10.952 -1.692 -2.374 1.00 14.11 N ATOM 1049 CA GLN A 62 -12.015 -0.853 -1.771 1.00 41.04 C ATOM 1050 C GLN A 62 -11.783 -0.733 -0.248 1.00 12.22 C ATOM 1051 O GLN A 62 -12.074 0.305 0.349 1.00 21.42 O ATOM 1052 CB GLN A 62 -13.426 -1.435 -2.063 1.00 64.21 C ATOM 1053 CG GLN A 62 -13.708 -1.751 -3.545 1.00 60.15 C ATOM 1054 CD GLN A 62 -13.577 -0.536 -4.464 1.00 62.14 C ATOM 1055 OE1 GLN A 62 -12.514 -0.273 -5.037 1.00 32.23 O ATOM 1056 NE2 GLN A 62 -14.652 0.218 -4.602 1.00 53.52 N ATOM 0 H GLN A 62 -11.260 -2.630 -2.632 1.00 14.11 H new ATOM 0 HA GLN A 62 -11.968 0.139 -2.220 1.00 41.04 H new ATOM 0 HB2 GLN A 62 -13.553 -2.349 -1.482 1.00 64.21 H new ATOM 0 HB3 GLN A 62 -14.175 -0.726 -1.710 1.00 64.21 H new ATOM 0 HG2 GLN A 62 -13.019 -2.526 -3.880 1.00 60.15 H new ATOM 0 HG3 GLN A 62 -14.715 -2.158 -3.636 1.00 60.15 H new ATOM 0 HE21 GLN A 62 -15.514 -0.028 -4.115 1.00 53.52 H new ATOM 0 HE22 GLN A 62 -14.621 1.047 -5.196 1.00 53.52 H new ATOM 1065 N LEU A 63 -11.223 -1.808 0.355 1.00 41.30 N ATOM 1066 CA LEU A 63 -10.771 -1.813 1.765 1.00 21.24 C ATOM 1067 C LEU A 63 -9.671 -0.758 1.970 1.00 40.23 C ATOM 1068 O LEU A 63 -9.624 -0.076 2.999 1.00 71.41 O ATOM 1069 CB LEU A 63 -10.234 -3.223 2.171 1.00 64.35 C ATOM 1070 CG LEU A 63 -11.253 -4.397 2.093 1.00 40.24 C ATOM 1071 CD1 LEU A 63 -10.612 -5.731 2.525 1.00 73.23 C ATOM 1072 CD2 LEU A 63 -12.525 -4.090 2.907 1.00 32.31 C ATOM 0 H LEU A 63 -11.072 -2.696 -0.123 1.00 41.30 H new ATOM 0 HA LEU A 63 -11.625 -1.572 2.398 1.00 21.24 H new ATOM 0 HB2 LEU A 63 -9.385 -3.463 1.531 1.00 64.35 H new ATOM 0 HB3 LEU A 63 -9.857 -3.165 3.192 1.00 64.35 H new ATOM 0 HG LEU A 63 -11.551 -4.504 1.050 1.00 40.24 H new ATOM 0 HD11 LEU A 63 -11.352 -6.529 2.458 1.00 73.23 H new ATOM 0 HD12 LEU A 63 -9.772 -5.960 1.870 1.00 73.23 H new ATOM 0 HD13 LEU A 63 -10.259 -5.649 3.553 1.00 73.23 H new ATOM 0 HD21 LEU A 63 -13.216 -4.929 2.832 1.00 32.31 H new ATOM 0 HD22 LEU A 63 -12.259 -3.931 3.952 1.00 32.31 H new ATOM 0 HD23 LEU A 63 -13.001 -3.192 2.513 1.00 32.31 H new ATOM 1084 N LEU A 64 -8.811 -0.632 0.944 1.00 1.00 N ATOM 1085 CA LEU A 64 -7.701 0.333 0.910 1.00 32.32 C ATOM 1086 C LEU A 64 -8.250 1.777 0.819 1.00 23.14 C ATOM 1087 O LEU A 64 -7.648 2.694 1.381 1.00 12.03 O ATOM 1088 CB LEU A 64 -6.729 0.023 -0.273 1.00 71.12 C ATOM 1089 CG LEU A 64 -5.775 -1.220 -0.106 1.00 52.45 C ATOM 1090 CD1 LEU A 64 -6.531 -2.526 0.140 1.00 40.44 C ATOM 1091 CD2 LEU A 64 -4.857 -1.375 -1.324 1.00 44.34 C ATOM 0 H LEU A 64 -8.870 -1.207 0.103 1.00 1.00 H new ATOM 0 HA LEU A 64 -7.133 0.241 1.836 1.00 32.32 H new ATOM 0 HB2 LEU A 64 -7.326 -0.127 -1.172 1.00 71.12 H new ATOM 0 HB3 LEU A 64 -6.111 0.904 -0.444 1.00 71.12 H new ATOM 0 HG LEU A 64 -5.174 -1.020 0.781 1.00 52.45 H new ATOM 0 HD11 LEU A 64 -5.819 -3.344 0.247 1.00 40.44 H new ATOM 0 HD12 LEU A 64 -7.122 -2.438 1.052 1.00 40.44 H new ATOM 0 HD13 LEU A 64 -7.192 -2.728 -0.703 1.00 40.44 H new ATOM 0 HD21 LEU A 64 -4.209 -2.240 -1.183 1.00 44.34 H new ATOM 0 HD22 LEU A 64 -5.462 -1.517 -2.220 1.00 44.34 H new ATOM 0 HD23 LEU A 64 -4.247 -0.479 -1.436 1.00 44.34 H new ATOM 1103 N LYS A 65 -9.410 1.960 0.141 1.00 53.45 N ATOM 1104 CA LYS A 65 -10.081 3.276 0.052 1.00 13.24 C ATOM 1105 C LYS A 65 -10.571 3.710 1.432 1.00 42.41 C ATOM 1106 O LYS A 65 -10.195 4.776 1.920 1.00 2.22 O ATOM 1107 CB LYS A 65 -11.288 3.253 -0.929 1.00 64.55 C ATOM 1108 CG LYS A 65 -10.934 2.927 -2.391 1.00 50.43 C ATOM 1109 CD LYS A 65 -12.137 3.112 -3.353 1.00 24.23 C ATOM 1110 CE LYS A 65 -12.610 4.576 -3.443 1.00 1.41 C ATOM 1111 NZ LYS A 65 -13.699 4.755 -4.447 1.00 64.33 N ATOM 0 H LYS A 65 -9.898 1.212 -0.351 1.00 53.45 H new ATOM 0 HA LYS A 65 -9.346 3.985 -0.329 1.00 13.24 H new ATOM 0 HB2 LYS A 65 -12.011 2.519 -0.574 1.00 64.55 H new ATOM 0 HB3 LYS A 65 -11.780 4.225 -0.898 1.00 64.55 H new ATOM 0 HG2 LYS A 65 -10.114 3.568 -2.714 1.00 50.43 H new ATOM 0 HG3 LYS A 65 -10.578 1.899 -2.454 1.00 50.43 H new ATOM 0 HD2 LYS A 65 -11.858 2.763 -4.347 1.00 24.23 H new ATOM 0 HD3 LYS A 65 -12.965 2.488 -3.017 1.00 24.23 H new ATOM 0 HE2 LYS A 65 -12.962 4.903 -2.465 1.00 1.41 H new ATOM 0 HE3 LYS A 65 -11.766 5.213 -3.707 1.00 1.41 H new ATOM 0 HZ1 LYS A 65 -13.986 5.754 -4.474 1.00 64.33 H new ATOM 0 HZ2 LYS A 65 -13.356 4.468 -5.386 1.00 64.33 H new ATOM 0 HZ3 LYS A 65 -14.515 4.168 -4.182 1.00 64.33 H new ATOM 1125 N GLU A 66 -11.369 2.827 2.063 1.00 62.51 N ATOM 1126 CA GLU A 66 -12.014 3.090 3.362 1.00 21.43 C ATOM 1127 C GLU A 66 -10.966 3.272 4.476 1.00 14.14 C ATOM 1128 O GLU A 66 -11.215 3.957 5.474 1.00 43.04 O ATOM 1129 CB GLU A 66 -13.002 1.939 3.706 1.00 12.13 C ATOM 1130 CG GLU A 66 -14.010 1.607 2.578 1.00 22.34 C ATOM 1131 CD GLU A 66 -14.830 2.822 2.095 1.00 12.32 C ATOM 1132 OE1 GLU A 66 -15.819 3.189 2.766 1.00 5.23 O ATOM 1133 OE2 GLU A 66 -14.478 3.419 1.049 1.00 73.01 O ATOM 0 H GLU A 66 -11.585 1.906 1.682 1.00 62.51 H new ATOM 0 HA GLU A 66 -12.576 4.021 3.289 1.00 21.43 H new ATOM 0 HB2 GLU A 66 -12.429 1.042 3.941 1.00 12.13 H new ATOM 0 HB3 GLU A 66 -13.556 2.208 4.605 1.00 12.13 H new ATOM 0 HG2 GLU A 66 -13.467 1.187 1.731 1.00 22.34 H new ATOM 0 HG3 GLU A 66 -14.695 0.836 2.931 1.00 22.34 H new ATOM 1140 N MET A 67 -9.785 2.658 4.267 1.00 53.31 N ATOM 1141 CA MET A 67 -8.613 2.833 5.130 1.00 44.31 C ATOM 1142 C MET A 67 -8.090 4.280 5.017 1.00 41.45 C ATOM 1143 O MET A 67 -7.937 4.968 6.023 1.00 2.34 O ATOM 1144 CB MET A 67 -7.502 1.831 4.717 1.00 33.05 C ATOM 1145 CG MET A 67 -6.338 1.727 5.705 1.00 0.21 C ATOM 1146 SD MET A 67 -4.944 0.776 5.069 1.00 32.25 S ATOM 1147 CE MET A 67 -5.701 -0.792 4.644 1.00 24.42 C ATOM 0 H MET A 67 -9.622 2.022 3.486 1.00 53.31 H new ATOM 0 HA MET A 67 -8.898 2.640 6.164 1.00 44.31 H new ATOM 0 HB2 MET A 67 -7.948 0.844 4.596 1.00 33.05 H new ATOM 0 HB3 MET A 67 -7.110 2.125 3.743 1.00 33.05 H new ATOM 0 HG2 MET A 67 -5.998 2.730 5.961 1.00 0.21 H new ATOM 0 HG3 MET A 67 -6.693 1.266 6.627 1.00 0.21 H new ATOM 0 HE1 MET A 67 -4.979 -1.412 4.112 1.00 24.42 H new ATOM 0 HE2 MET A 67 -6.017 -1.302 5.554 1.00 24.42 H new ATOM 0 HE3 MET A 67 -6.568 -0.617 4.007 1.00 24.42 H new ATOM 1157 N LEU A 68 -7.868 4.728 3.761 1.00 0.22 N ATOM 1158 CA LEU A 68 -7.312 6.067 3.443 1.00 24.02 C ATOM 1159 C LEU A 68 -8.269 7.208 3.846 1.00 51.43 C ATOM 1160 O LEU A 68 -7.819 8.333 4.104 1.00 25.51 O ATOM 1161 CB LEU A 68 -6.961 6.160 1.930 1.00 45.34 C ATOM 1162 CG LEU A 68 -5.799 5.232 1.444 1.00 61.44 C ATOM 1163 CD1 LEU A 68 -5.642 5.272 -0.088 1.00 65.40 C ATOM 1164 CD2 LEU A 68 -4.477 5.584 2.144 1.00 13.03 C ATOM 0 H LEU A 68 -8.070 4.169 2.932 1.00 0.22 H new ATOM 0 HA LEU A 68 -6.402 6.189 4.031 1.00 24.02 H new ATOM 0 HB2 LEU A 68 -7.855 5.924 1.353 1.00 45.34 H new ATOM 0 HB3 LEU A 68 -6.697 7.192 1.700 1.00 45.34 H new ATOM 0 HG LEU A 68 -6.063 4.211 1.719 1.00 61.44 H new ATOM 0 HD11 LEU A 68 -4.825 4.615 -0.387 1.00 65.40 H new ATOM 0 HD12 LEU A 68 -6.567 4.938 -0.557 1.00 65.40 H new ATOM 0 HD13 LEU A 68 -5.422 6.292 -0.405 1.00 65.40 H new ATOM 0 HD21 LEU A 68 -3.688 4.922 1.786 1.00 13.03 H new ATOM 0 HD22 LEU A 68 -4.212 6.618 1.922 1.00 13.03 H new ATOM 0 HD23 LEU A 68 -4.592 5.462 3.221 1.00 13.03 H new ATOM 1176 N GLU A 69 -9.577 6.909 3.893 1.00 20.21 N ATOM 1177 CA GLU A 69 -10.599 7.854 4.382 1.00 3.40 C ATOM 1178 C GLU A 69 -10.382 8.159 5.878 1.00 32.10 C ATOM 1179 O GLU A 69 -10.605 9.286 6.334 1.00 22.33 O ATOM 1180 CB GLU A 69 -12.020 7.283 4.156 1.00 55.44 C ATOM 1181 CG GLU A 69 -12.383 7.027 2.681 1.00 3.23 C ATOM 1182 CD GLU A 69 -12.345 8.297 1.809 1.00 30.33 C ATOM 1183 OE1 GLU A 69 -13.264 9.134 1.931 1.00 41.12 O ATOM 1184 OE2 GLU A 69 -11.394 8.476 1.016 1.00 23.00 O ATOM 0 H GLU A 69 -9.957 6.010 3.595 1.00 20.21 H new ATOM 0 HA GLU A 69 -10.502 8.782 3.819 1.00 3.40 H new ATOM 0 HB2 GLU A 69 -12.113 6.347 4.707 1.00 55.44 H new ATOM 0 HB3 GLU A 69 -12.747 7.976 4.580 1.00 55.44 H new ATOM 0 HG2 GLU A 69 -11.693 6.291 2.268 1.00 3.23 H new ATOM 0 HG3 GLU A 69 -13.381 6.591 2.631 1.00 3.23 H new ATOM 1191 N LEU A 70 -9.949 7.133 6.630 1.00 15.20 N ATOM 1192 CA LEU A 70 -9.620 7.257 8.063 1.00 40.01 C ATOM 1193 C LEU A 70 -8.236 7.927 8.239 1.00 43.10 C ATOM 1194 O LEU A 70 -8.059 8.805 9.094 1.00 64.01 O ATOM 1195 CB LEU A 70 -9.648 5.850 8.728 1.00 22.44 C ATOM 1196 CG LEU A 70 -10.985 5.052 8.584 1.00 32.40 C ATOM 1197 CD1 LEU A 70 -10.886 3.661 9.249 1.00 24.12 C ATOM 1198 CD2 LEU A 70 -12.185 5.859 9.127 1.00 33.42 C ATOM 0 H LEU A 70 -9.816 6.191 6.262 1.00 15.20 H new ATOM 0 HA LEU A 70 -10.362 7.888 8.552 1.00 40.01 H new ATOM 0 HB2 LEU A 70 -8.843 5.252 8.301 1.00 22.44 H new ATOM 0 HB3 LEU A 70 -9.430 5.967 9.790 1.00 22.44 H new ATOM 0 HG LEU A 70 -11.158 4.891 7.520 1.00 32.40 H new ATOM 0 HD11 LEU A 70 -11.832 3.133 9.131 1.00 24.12 H new ATOM 0 HD12 LEU A 70 -10.089 3.088 8.776 1.00 24.12 H new ATOM 0 HD13 LEU A 70 -10.667 3.780 10.310 1.00 24.12 H new ATOM 0 HD21 LEU A 70 -13.098 5.275 9.012 1.00 33.42 H new ATOM 0 HD22 LEU A 70 -12.027 6.080 10.183 1.00 33.42 H new ATOM 0 HD23 LEU A 70 -12.278 6.792 8.571 1.00 33.42 H new ATOM 1210 N ILE A 71 -7.289 7.528 7.368 1.00 50.21 N ATOM 1211 CA ILE A 71 -5.878 7.976 7.396 1.00 74.43 C ATOM 1212 C ILE A 71 -5.746 9.480 7.075 1.00 43.24 C ATOM 1213 O ILE A 71 -4.843 10.151 7.594 1.00 14.22 O ATOM 1214 CB ILE A 71 -5.001 7.110 6.403 1.00 24.42 C ATOM 1215 CG1 ILE A 71 -4.924 5.634 6.910 1.00 12.11 C ATOM 1216 CG2 ILE A 71 -3.589 7.708 6.191 1.00 42.52 C ATOM 1217 CD1 ILE A 71 -4.163 4.668 6.017 1.00 71.33 C ATOM 0 H ILE A 71 -7.484 6.873 6.610 1.00 50.21 H new ATOM 0 HA ILE A 71 -5.506 7.828 8.410 1.00 74.43 H new ATOM 0 HB ILE A 71 -5.488 7.123 5.428 1.00 24.42 H new ATOM 0 HG12 ILE A 71 -4.459 5.632 7.896 1.00 12.11 H new ATOM 0 HG13 ILE A 71 -5.940 5.259 7.036 1.00 12.11 H new ATOM 0 HG21 ILE A 71 -3.027 7.078 5.502 1.00 42.52 H new ATOM 0 HG22 ILE A 71 -3.678 8.711 5.775 1.00 42.52 H new ATOM 0 HG23 ILE A 71 -3.067 7.756 7.147 1.00 42.52 H new ATOM 0 HD11 ILE A 71 -4.173 3.674 6.465 1.00 71.33 H new ATOM 0 HD12 ILE A 71 -4.637 4.629 5.036 1.00 71.33 H new ATOM 0 HD13 ILE A 71 -3.133 5.007 5.909 1.00 71.33 H new ATOM 1229 N SER A 72 -6.660 10.002 6.239 1.00 4.43 N ATOM 1230 CA SER A 72 -6.683 11.430 5.873 1.00 54.44 C ATOM 1231 C SER A 72 -6.919 12.328 7.107 1.00 74.53 C ATOM 1232 O SER A 72 -6.438 13.465 7.153 1.00 21.54 O ATOM 1233 CB SER A 72 -7.746 11.685 4.787 1.00 22.42 C ATOM 1234 OG SER A 72 -9.034 11.278 5.210 1.00 63.33 O ATOM 0 H SER A 72 -7.398 9.452 5.801 1.00 4.43 H new ATOM 0 HA SER A 72 -5.705 11.692 5.468 1.00 54.44 H new ATOM 0 HB2 SER A 72 -7.763 12.746 4.537 1.00 22.42 H new ATOM 0 HB3 SER A 72 -7.474 11.147 3.878 1.00 22.42 H new ATOM 0 HG SER A 72 -9.007 10.336 5.480 1.00 63.33 H new ATOM 1240 N LYS A 73 -7.644 11.793 8.109 1.00 62.51 N ATOM 1241 CA LYS A 73 -7.893 12.493 9.384 1.00 33.32 C ATOM 1242 C LYS A 73 -6.741 12.237 10.380 1.00 25.24 C ATOM 1243 O LYS A 73 -6.454 13.083 11.239 1.00 4.23 O ATOM 1244 CB LYS A 73 -9.246 12.046 9.999 1.00 22.11 C ATOM 1245 CG LYS A 73 -10.475 12.256 9.076 1.00 4.40 C ATOM 1246 CD LYS A 73 -11.840 12.029 9.787 1.00 13.42 C ATOM 1247 CE LYS A 73 -12.311 13.224 10.650 1.00 41.23 C ATOM 1248 NZ LYS A 73 -11.357 13.588 11.741 1.00 73.34 N ATOM 0 H LYS A 73 -8.071 10.868 8.058 1.00 62.51 H new ATOM 0 HA LYS A 73 -7.942 13.563 9.180 1.00 33.32 H new ATOM 0 HB2 LYS A 73 -9.180 10.990 10.260 1.00 22.11 H new ATOM 0 HB3 LYS A 73 -9.407 12.594 10.927 1.00 22.11 H new ATOM 0 HG2 LYS A 73 -10.448 13.270 8.676 1.00 4.40 H new ATOM 0 HG3 LYS A 73 -10.401 11.576 8.227 1.00 4.40 H new ATOM 0 HD2 LYS A 73 -12.599 11.818 9.034 1.00 13.42 H new ATOM 0 HD3 LYS A 73 -11.765 11.145 10.420 1.00 13.42 H new ATOM 0 HE2 LYS A 73 -12.460 14.090 10.005 1.00 41.23 H new ATOM 0 HE3 LYS A 73 -13.279 12.984 11.090 1.00 41.23 H new ATOM 0 HZ1 LYS A 73 -11.843 14.182 12.443 1.00 73.34 H new ATOM 0 HZ2 LYS A 73 -11.009 12.723 12.201 1.00 73.34 H new ATOM 0 HZ3 LYS A 73 -10.554 14.113 11.339 1.00 73.34 H new ATOM 1262 N LEU A 74 -6.092 11.060 10.268 1.00 44.45 N ATOM 1263 CA LEU A 74 -4.937 10.687 11.124 1.00 1.45 C ATOM 1264 C LEU A 74 -3.672 11.478 10.727 1.00 3.32 C ATOM 1265 O LEU A 74 -2.784 11.688 11.557 1.00 50.44 O ATOM 1266 CB LEU A 74 -4.679 9.161 11.043 1.00 12.23 C ATOM 1267 CG LEU A 74 -5.838 8.244 11.544 1.00 71.02 C ATOM 1268 CD1 LEU A 74 -5.494 6.751 11.344 1.00 1.30 C ATOM 1269 CD2 LEU A 74 -6.199 8.551 13.015 1.00 13.42 C ATOM 0 H LEU A 74 -6.348 10.343 9.589 1.00 44.45 H new ATOM 0 HA LEU A 74 -5.179 10.944 12.155 1.00 1.45 H new ATOM 0 HB2 LEU A 74 -4.461 8.904 10.006 1.00 12.23 H new ATOM 0 HB3 LEU A 74 -3.785 8.932 11.623 1.00 12.23 H new ATOM 0 HG LEU A 74 -6.719 8.461 10.940 1.00 71.02 H new ATOM 0 HD11 LEU A 74 -6.320 6.136 11.702 1.00 1.30 H new ATOM 0 HD12 LEU A 74 -5.328 6.555 10.285 1.00 1.30 H new ATOM 0 HD13 LEU A 74 -4.591 6.508 11.904 1.00 1.30 H new ATOM 0 HD21 LEU A 74 -7.009 7.896 13.335 1.00 13.42 H new ATOM 0 HD22 LEU A 74 -5.326 8.384 13.646 1.00 13.42 H new ATOM 0 HD23 LEU A 74 -6.516 9.590 13.103 1.00 13.42 H new ATOM 1281 N GLY A 75 -3.620 11.906 9.452 1.00 24.44 N ATOM 1282 CA GLY A 75 -2.566 12.782 8.946 1.00 22.00 C ATOM 1283 C GLY A 75 -1.197 12.122 8.838 1.00 61.03 C ATOM 1284 O GLY A 75 -0.249 12.539 9.517 1.00 4.30 O ATOM 0 H GLY A 75 -4.313 11.649 8.748 1.00 24.44 H new ATOM 0 HA2 GLY A 75 -2.857 13.150 7.962 1.00 22.00 H new ATOM 0 HA3 GLY A 75 -2.487 13.650 9.600 1.00 22.00 H new ATOM 1288 N TYR A 76 -1.085 11.087 7.983 1.00 32.43 N ATOM 1289 CA TYR A 76 0.216 10.462 7.665 1.00 50.51 C ATOM 1290 C TYR A 76 0.238 9.902 6.237 1.00 34.40 C ATOM 1291 O TYR A 76 -0.812 9.622 5.646 1.00 42.52 O ATOM 1292 CB TYR A 76 0.622 9.375 8.703 1.00 22.34 C ATOM 1293 CG TYR A 76 -0.298 8.146 8.850 1.00 33.44 C ATOM 1294 CD1 TYR A 76 -0.213 7.059 7.968 1.00 1.34 C ATOM 1295 CD2 TYR A 76 -1.202 8.043 9.907 1.00 22.33 C ATOM 1296 CE1 TYR A 76 -1.006 5.941 8.128 1.00 13.13 C ATOM 1297 CE2 TYR A 76 -1.988 6.918 10.074 1.00 14.32 C ATOM 1298 CZ TYR A 76 -1.884 5.869 9.187 1.00 50.24 C ATOM 1299 OH TYR A 76 -2.668 4.747 9.359 1.00 42.32 O ATOM 0 H TYR A 76 -1.878 10.666 7.500 1.00 32.43 H new ATOM 0 HA TYR A 76 0.964 11.253 7.726 1.00 50.51 H new ATOM 0 HB2 TYR A 76 1.619 9.019 8.443 1.00 22.34 H new ATOM 0 HB3 TYR A 76 0.699 9.855 9.679 1.00 22.34 H new ATOM 0 HD1 TYR A 76 0.487 7.098 7.147 1.00 1.34 H new ATOM 0 HD2 TYR A 76 -1.290 8.859 10.609 1.00 22.33 H new ATOM 0 HE1 TYR A 76 -0.938 5.124 7.425 1.00 13.13 H new ATOM 0 HE2 TYR A 76 -2.683 6.862 10.899 1.00 14.32 H new ATOM 0 HH TYR A 76 -3.230 4.859 10.154 1.00 42.32 H new ATOM 1309 N LYS A 77 1.466 9.740 5.709 1.00 23.24 N ATOM 1310 CA LYS A 77 1.721 9.305 4.327 1.00 25.01 C ATOM 1311 C LYS A 77 1.583 7.787 4.177 1.00 4.22 C ATOM 1312 O LYS A 77 2.035 7.016 5.034 1.00 75.32 O ATOM 1313 CB LYS A 77 3.139 9.746 3.887 1.00 74.43 C ATOM 1314 CG LYS A 77 3.286 11.261 3.630 1.00 43.51 C ATOM 1315 CD LYS A 77 2.636 11.689 2.301 1.00 3.02 C ATOM 1316 CE LYS A 77 2.661 13.210 2.096 1.00 54.02 C ATOM 1317 NZ LYS A 77 1.953 13.612 0.851 1.00 64.35 N ATOM 0 H LYS A 77 2.320 9.911 6.240 1.00 23.24 H new ATOM 0 HA LYS A 77 0.974 9.776 3.688 1.00 25.01 H new ATOM 0 HB2 LYS A 77 3.853 9.449 4.655 1.00 74.43 H new ATOM 0 HB3 LYS A 77 3.408 9.208 2.978 1.00 74.43 H new ATOM 0 HG2 LYS A 77 2.829 11.814 4.451 1.00 43.51 H new ATOM 0 HG3 LYS A 77 4.343 11.525 3.618 1.00 43.51 H new ATOM 0 HD2 LYS A 77 3.156 11.206 1.474 1.00 3.02 H new ATOM 0 HD3 LYS A 77 1.604 11.339 2.276 1.00 3.02 H new ATOM 0 HE2 LYS A 77 2.197 13.700 2.952 1.00 54.02 H new ATOM 0 HE3 LYS A 77 3.694 13.554 2.054 1.00 54.02 H new ATOM 0 HZ1 LYS A 77 1.589 14.581 0.956 1.00 64.35 H new ATOM 0 HZ2 LYS A 77 2.614 13.575 0.049 1.00 64.35 H new ATOM 0 HZ3 LYS A 77 1.160 12.962 0.677 1.00 64.35 H new ATOM 1331 N VAL A 78 0.952 7.386 3.061 1.00 4.22 N ATOM 1332 CA VAL A 78 0.755 5.982 2.675 1.00 15.45 C ATOM 1333 C VAL A 78 1.213 5.780 1.221 1.00 64.24 C ATOM 1334 O VAL A 78 1.051 6.673 0.377 1.00 15.14 O ATOM 1335 CB VAL A 78 -0.745 5.554 2.845 1.00 44.35 C ATOM 1336 CG1 VAL A 78 -0.991 4.110 2.377 1.00 22.41 C ATOM 1337 CG2 VAL A 78 -1.193 5.729 4.307 1.00 3.54 C ATOM 0 H VAL A 78 0.557 8.044 2.389 1.00 4.22 H new ATOM 0 HA VAL A 78 1.354 5.352 3.332 1.00 15.45 H new ATOM 0 HB VAL A 78 -1.342 6.208 2.209 1.00 44.35 H new ATOM 0 HG11 VAL A 78 -2.043 3.857 2.513 1.00 22.41 H new ATOM 0 HG12 VAL A 78 -0.730 4.020 1.323 1.00 22.41 H new ATOM 0 HG13 VAL A 78 -0.375 3.428 2.963 1.00 22.41 H new ATOM 0 HG21 VAL A 78 -2.236 5.428 4.407 1.00 3.54 H new ATOM 0 HG22 VAL A 78 -0.573 5.109 4.954 1.00 3.54 H new ATOM 0 HG23 VAL A 78 -1.088 6.775 4.597 1.00 3.54 H new ATOM 1347 N PHE A 79 1.794 4.598 0.952 1.00 20.03 N ATOM 1348 CA PHE A 79 2.390 4.250 -0.338 1.00 13.12 C ATOM 1349 C PHE A 79 1.634 3.059 -0.926 1.00 22.42 C ATOM 1350 O PHE A 79 1.749 1.951 -0.425 1.00 30.11 O ATOM 1351 CB PHE A 79 3.888 3.909 -0.123 1.00 50.11 C ATOM 1352 CG PHE A 79 4.649 5.016 0.600 1.00 75.45 C ATOM 1353 CD1 PHE A 79 4.690 5.072 1.998 1.00 64.33 C ATOM 1354 CD2 PHE A 79 5.274 6.024 -0.111 1.00 23.12 C ATOM 1355 CE1 PHE A 79 5.342 6.102 2.640 1.00 4.22 C ATOM 1356 CE2 PHE A 79 5.919 7.051 0.533 1.00 61.22 C ATOM 1357 CZ PHE A 79 5.951 7.091 1.907 1.00 34.55 C ATOM 0 H PHE A 79 1.861 3.849 1.641 1.00 20.03 H new ATOM 0 HA PHE A 79 2.320 5.085 -1.035 1.00 13.12 H new ATOM 0 HB2 PHE A 79 3.967 2.986 0.451 1.00 50.11 H new ATOM 0 HB3 PHE A 79 4.356 3.724 -1.090 1.00 50.11 H new ATOM 0 HD1 PHE A 79 4.206 4.301 2.579 1.00 64.33 H new ATOM 0 HD2 PHE A 79 5.255 6.003 -1.191 1.00 23.12 H new ATOM 0 HE1 PHE A 79 5.374 6.132 3.719 1.00 4.22 H new ATOM 0 HE2 PHE A 79 6.402 7.828 -0.041 1.00 61.22 H new ATOM 0 HZ PHE A 79 6.456 7.902 2.411 1.00 34.55 H new ATOM 1367 N LEU A 80 0.856 3.290 -1.981 1.00 4.24 N ATOM 1368 CA LEU A 80 0.015 2.243 -2.590 1.00 2.24 C ATOM 1369 C LEU A 80 0.627 1.791 -3.923 1.00 64.21 C ATOM 1370 O LEU A 80 1.054 2.613 -4.722 1.00 70.02 O ATOM 1371 CB LEU A 80 -1.446 2.763 -2.757 1.00 73.43 C ATOM 1372 CG LEU A 80 -2.436 1.884 -3.608 1.00 1.11 C ATOM 1373 CD1 LEU A 80 -2.490 0.429 -3.121 1.00 22.44 C ATOM 1374 CD2 LEU A 80 -3.848 2.511 -3.643 1.00 2.22 C ATOM 0 H LEU A 80 0.785 4.198 -2.440 1.00 4.24 H new ATOM 0 HA LEU A 80 -0.023 1.372 -1.936 1.00 2.24 H new ATOM 0 HB2 LEU A 80 -1.875 2.886 -1.763 1.00 73.43 H new ATOM 0 HB3 LEU A 80 -1.401 3.753 -3.210 1.00 73.43 H new ATOM 0 HG LEU A 80 -2.046 1.864 -4.626 1.00 1.11 H new ATOM 0 HD11 LEU A 80 -3.187 -0.136 -3.740 1.00 22.44 H new ATOM 0 HD12 LEU A 80 -1.497 -0.016 -3.193 1.00 22.44 H new ATOM 0 HD13 LEU A 80 -2.824 0.405 -2.084 1.00 22.44 H new ATOM 0 HD21 LEU A 80 -4.511 1.882 -4.238 1.00 2.22 H new ATOM 0 HD22 LEU A 80 -4.237 2.589 -2.628 1.00 2.22 H new ATOM 0 HD23 LEU A 80 -3.794 3.504 -4.088 1.00 2.22 H new ATOM 1386 N LEU A 81 0.683 0.467 -4.130 1.00 13.23 N ATOM 1387 CA LEU A 81 1.134 -0.135 -5.390 1.00 11.41 C ATOM 1388 C LEU A 81 0.053 -1.081 -5.919 1.00 14.20 C ATOM 1389 O LEU A 81 -0.400 -1.992 -5.213 1.00 32.23 O ATOM 1390 CB LEU A 81 2.471 -0.892 -5.206 1.00 31.14 C ATOM 1391 CG LEU A 81 3.109 -1.513 -6.497 1.00 63.32 C ATOM 1392 CD1 LEU A 81 3.332 -0.451 -7.593 1.00 32.22 C ATOM 1393 CD2 LEU A 81 4.422 -2.255 -6.163 1.00 63.23 C ATOM 0 H LEU A 81 0.415 -0.218 -3.424 1.00 13.23 H new ATOM 0 HA LEU A 81 1.305 0.662 -6.113 1.00 11.41 H new ATOM 0 HB2 LEU A 81 3.194 -0.205 -4.765 1.00 31.14 H new ATOM 0 HB3 LEU A 81 2.312 -1.694 -4.485 1.00 31.14 H new ATOM 0 HG LEU A 81 2.401 -2.241 -6.893 1.00 63.32 H new ATOM 0 HD11 LEU A 81 3.775 -0.921 -8.471 1.00 32.22 H new ATOM 0 HD12 LEU A 81 2.376 -0.003 -7.865 1.00 32.22 H new ATOM 0 HD13 LEU A 81 4.002 0.323 -7.219 1.00 32.22 H new ATOM 0 HD21 LEU A 81 4.844 -2.676 -7.075 1.00 63.23 H new ATOM 0 HD22 LEU A 81 5.133 -1.556 -5.723 1.00 63.23 H new ATOM 0 HD23 LEU A 81 4.216 -3.057 -5.454 1.00 63.23 H new ATOM 1405 N LEU A 82 -0.358 -0.827 -7.163 1.00 21.31 N ATOM 1406 CA LEU A 82 -1.335 -1.630 -7.899 1.00 61.34 C ATOM 1407 C LEU A 82 -0.605 -2.349 -9.041 1.00 50.10 C ATOM 1408 O LEU A 82 0.256 -1.749 -9.681 1.00 23.25 O ATOM 1409 CB LEU A 82 -2.436 -0.694 -8.457 1.00 30.32 C ATOM 1410 CG LEU A 82 -3.202 0.161 -7.402 1.00 34.15 C ATOM 1411 CD1 LEU A 82 -4.068 1.235 -8.084 1.00 1.32 C ATOM 1412 CD2 LEU A 82 -4.046 -0.725 -6.462 1.00 3.14 C ATOM 0 H LEU A 82 -0.010 -0.034 -7.701 1.00 21.31 H new ATOM 0 HA LEU A 82 -1.803 -2.370 -7.249 1.00 61.34 H new ATOM 0 HB2 LEU A 82 -1.979 -0.019 -9.181 1.00 30.32 H new ATOM 0 HB3 LEU A 82 -3.161 -1.301 -9.000 1.00 30.32 H new ATOM 0 HG LEU A 82 -2.459 0.671 -6.789 1.00 34.15 H new ATOM 0 HD11 LEU A 82 -4.591 1.817 -7.325 1.00 1.32 H new ATOM 0 HD12 LEU A 82 -3.432 1.896 -8.673 1.00 1.32 H new ATOM 0 HD13 LEU A 82 -4.796 0.754 -8.738 1.00 1.32 H new ATOM 0 HD21 LEU A 82 -4.566 -0.096 -5.739 1.00 3.14 H new ATOM 0 HD22 LEU A 82 -4.775 -1.285 -7.047 1.00 3.14 H new ATOM 0 HD23 LEU A 82 -3.393 -1.420 -5.934 1.00 3.14 H new ATOM 1424 N ALA A 83 -0.913 -3.633 -9.271 1.00 62.13 N ATOM 1425 CA ALA A 83 -0.330 -4.395 -10.394 1.00 52.51 C ATOM 1426 C ALA A 83 -1.313 -5.466 -10.887 1.00 51.35 C ATOM 1427 O ALA A 83 -1.798 -6.280 -10.094 1.00 22.43 O ATOM 1428 CB ALA A 83 1.024 -5.012 -10.003 1.00 32.31 C ATOM 0 H ALA A 83 -1.563 -4.170 -8.696 1.00 62.13 H new ATOM 0 HA ALA A 83 -0.146 -3.704 -11.216 1.00 52.51 H new ATOM 0 HB1 ALA A 83 1.429 -5.567 -10.849 1.00 32.31 H new ATOM 0 HB2 ALA A 83 1.718 -4.219 -9.723 1.00 32.31 H new ATOM 0 HB3 ALA A 83 0.886 -5.688 -9.159 1.00 32.31 H new ATOM 1434 N ASP A 84 -1.602 -5.448 -12.197 1.00 64.35 N ATOM 1435 CA ASP A 84 -2.504 -6.425 -12.845 1.00 22.14 C ATOM 1436 C ASP A 84 -2.516 -6.207 -14.366 1.00 1.43 C ATOM 1437 O ASP A 84 -2.072 -5.166 -14.861 1.00 22.12 O ATOM 1438 CB ASP A 84 -3.952 -6.327 -12.260 1.00 61.01 C ATOM 1439 CG ASP A 84 -4.951 -7.359 -12.821 1.00 53.21 C ATOM 1440 OD1 ASP A 84 -4.581 -8.541 -12.994 1.00 31.41 O ATOM 1441 OD2 ASP A 84 -6.091 -6.994 -13.122 1.00 40.10 O ATOM 0 H ASP A 84 -1.219 -4.757 -12.842 1.00 64.35 H new ATOM 0 HA ASP A 84 -2.129 -7.428 -12.639 1.00 22.14 H new ATOM 0 HB2 ASP A 84 -3.900 -6.445 -11.178 1.00 61.01 H new ATOM 0 HB3 ASP A 84 -4.339 -5.326 -12.453 1.00 61.01 H new ATOM 1446 N GLN A 85 -3.002 -7.228 -15.091 1.00 61.05 N ATOM 1447 CA GLN A 85 -3.189 -7.190 -16.547 1.00 20.11 C ATOM 1448 C GLN A 85 -4.376 -6.279 -16.939 1.00 2.42 C ATOM 1449 O GLN A 85 -4.368 -5.667 -18.018 1.00 63.31 O ATOM 1450 CB GLN A 85 -3.370 -8.634 -17.082 1.00 71.53 C ATOM 1451 CG GLN A 85 -2.193 -9.575 -16.718 1.00 42.31 C ATOM 1452 CD GLN A 85 -2.321 -10.974 -17.320 1.00 22.31 C ATOM 1453 OE1 GLN A 85 -2.908 -11.875 -16.721 1.00 13.24 O ATOM 1454 NE2 GLN A 85 -1.771 -11.169 -18.507 1.00 12.41 N ATOM 0 H GLN A 85 -3.280 -8.116 -14.673 1.00 61.05 H new ATOM 0 HA GLN A 85 -2.301 -6.758 -17.008 1.00 20.11 H new ATOM 0 HB2 GLN A 85 -4.295 -9.049 -16.682 1.00 71.53 H new ATOM 0 HB3 GLN A 85 -3.478 -8.601 -18.166 1.00 71.53 H new ATOM 0 HG2 GLN A 85 -1.260 -9.126 -17.059 1.00 42.31 H new ATOM 0 HG3 GLN A 85 -2.128 -9.660 -15.633 1.00 42.31 H new ATOM 0 HE21 GLN A 85 -1.291 -10.403 -18.979 1.00 12.41 H new ATOM 0 HE22 GLN A 85 -1.827 -12.086 -18.951 1.00 12.41 H new ATOM 1463 N ASP A 86 -5.392 -6.176 -16.050 1.00 32.20 N ATOM 1464 CA ASP A 86 -6.463 -5.153 -16.173 1.00 24.30 C ATOM 1465 C ASP A 86 -5.984 -3.872 -15.464 1.00 4.21 C ATOM 1466 O ASP A 86 -6.542 -3.414 -14.458 1.00 65.35 O ATOM 1467 CB ASP A 86 -7.821 -5.666 -15.611 1.00 32.02 C ATOM 1468 CG ASP A 86 -9.007 -4.725 -15.913 1.00 31.10 C ATOM 1469 OD1 ASP A 86 -9.566 -4.791 -17.028 1.00 11.23 O ATOM 1470 OD2 ASP A 86 -9.402 -3.921 -15.037 1.00 32.35 O ATOM 0 H ASP A 86 -5.494 -6.787 -15.240 1.00 32.20 H new ATOM 0 HA ASP A 86 -6.648 -4.936 -17.225 1.00 24.30 H new ATOM 0 HB2 ASP A 86 -8.031 -6.649 -16.032 1.00 32.02 H new ATOM 0 HB3 ASP A 86 -7.734 -5.793 -14.532 1.00 32.02 H new ATOM 1475 N GLU A 87 -4.887 -3.335 -15.998 1.00 34.24 N ATOM 1476 CA GLU A 87 -4.199 -2.155 -15.457 1.00 40.21 C ATOM 1477 C GLU A 87 -4.965 -0.857 -15.776 1.00 21.13 C ATOM 1478 O GLU A 87 -4.710 0.173 -15.160 1.00 32.34 O ATOM 1479 CB GLU A 87 -2.743 -2.129 -16.014 1.00 75.12 C ATOM 1480 CG GLU A 87 -2.599 -2.220 -17.560 1.00 22.14 C ATOM 1481 CD GLU A 87 -2.912 -0.917 -18.310 1.00 71.23 C ATOM 1482 OE1 GLU A 87 -2.191 0.077 -18.099 1.00 63.12 O ATOM 1483 OE2 GLU A 87 -3.878 -0.878 -19.101 1.00 4.15 O ATOM 0 H GLU A 87 -4.441 -3.712 -16.834 1.00 34.24 H new ATOM 0 HA GLU A 87 -4.162 -2.220 -14.370 1.00 40.21 H new ATOM 0 HB2 GLU A 87 -2.264 -1.209 -15.679 1.00 75.12 H new ATOM 0 HB3 GLU A 87 -2.191 -2.957 -15.569 1.00 75.12 H new ATOM 0 HG2 GLU A 87 -1.580 -2.526 -17.799 1.00 22.14 H new ATOM 0 HG3 GLU A 87 -3.262 -3.003 -17.928 1.00 22.14 H new ATOM 1490 N ASN A 88 -5.894 -0.950 -16.750 1.00 3.43 N ATOM 1491 CA ASN A 88 -6.694 0.183 -17.261 1.00 3.41 C ATOM 1492 C ASN A 88 -7.579 0.800 -16.155 1.00 43.31 C ATOM 1493 O ASN A 88 -7.646 2.029 -16.031 1.00 11.24 O ATOM 1494 CB ASN A 88 -7.547 -0.306 -18.466 1.00 45.44 C ATOM 1495 CG ASN A 88 -8.440 0.773 -19.088 1.00 21.22 C ATOM 1496 OD1 ASN A 88 -9.588 0.951 -18.689 1.00 64.01 O ATOM 1497 ND2 ASN A 88 -7.929 1.494 -20.079 1.00 23.31 N ATOM 0 H ASN A 88 -6.113 -1.832 -17.213 1.00 3.43 H new ATOM 0 HA ASN A 88 -6.021 0.974 -17.594 1.00 3.41 H new ATOM 0 HB2 ASN A 88 -6.879 -0.695 -19.234 1.00 45.44 H new ATOM 0 HB3 ASN A 88 -8.174 -1.135 -18.139 1.00 45.44 H new ATOM 0 HD21 ASN A 88 -8.493 2.216 -20.528 1.00 23.31 H new ATOM 0 HD22 ASN A 88 -6.973 1.326 -20.391 1.00 23.31 H new ATOM 1504 N GLU A 89 -8.246 -0.061 -15.354 1.00 61.21 N ATOM 1505 CA GLU A 89 -9.049 0.382 -14.195 1.00 40.12 C ATOM 1506 C GLU A 89 -8.143 0.990 -13.110 1.00 44.10 C ATOM 1507 O GLU A 89 -8.393 2.101 -12.625 1.00 22.35 O ATOM 1508 CB GLU A 89 -9.865 -0.794 -13.602 1.00 22.15 C ATOM 1509 CG GLU A 89 -10.658 -0.425 -12.328 1.00 74.14 C ATOM 1510 CD GLU A 89 -11.403 -1.607 -11.704 1.00 44.44 C ATOM 1511 OE1 GLU A 89 -10.741 -2.515 -11.167 1.00 13.54 O ATOM 1512 OE2 GLU A 89 -12.649 -1.622 -11.716 1.00 63.03 O ATOM 0 H GLU A 89 -8.243 -1.072 -15.491 1.00 61.21 H new ATOM 0 HA GLU A 89 -9.745 1.145 -14.544 1.00 40.12 H new ATOM 0 HB2 GLU A 89 -10.560 -1.159 -14.358 1.00 22.15 H new ATOM 0 HB3 GLU A 89 -9.186 -1.615 -13.371 1.00 22.15 H new ATOM 0 HG2 GLU A 89 -9.971 -0.010 -11.591 1.00 74.14 H new ATOM 0 HG3 GLU A 89 -11.376 0.358 -12.572 1.00 74.14 H new ATOM 1519 N LEU A 90 -7.073 0.246 -12.774 1.00 1.12 N ATOM 1520 CA LEU A 90 -6.103 0.635 -11.734 1.00 71.21 C ATOM 1521 C LEU A 90 -5.367 1.943 -12.109 1.00 25.41 C ATOM 1522 O LEU A 90 -4.870 2.648 -11.229 1.00 0.42 O ATOM 1523 CB LEU A 90 -5.074 -0.506 -11.496 1.00 23.20 C ATOM 1524 CG LEU A 90 -5.629 -1.861 -10.962 1.00 64.20 C ATOM 1525 CD1 LEU A 90 -4.503 -2.917 -10.840 1.00 54.11 C ATOM 1526 CD2 LEU A 90 -6.374 -1.680 -9.622 1.00 33.31 C ATOM 0 H LEU A 90 -6.856 -0.646 -13.219 1.00 1.12 H new ATOM 0 HA LEU A 90 -6.659 0.811 -10.813 1.00 71.21 H new ATOM 0 HB2 LEU A 90 -4.558 -0.699 -12.437 1.00 23.20 H new ATOM 0 HB3 LEU A 90 -4.326 -0.145 -10.791 1.00 23.20 H new ATOM 0 HG LEU A 90 -6.353 -2.228 -11.690 1.00 64.20 H new ATOM 0 HD11 LEU A 90 -4.920 -3.852 -10.465 1.00 54.11 H new ATOM 0 HD12 LEU A 90 -4.055 -3.086 -11.819 1.00 54.11 H new ATOM 0 HD13 LEU A 90 -3.740 -2.557 -10.150 1.00 54.11 H new ATOM 0 HD21 LEU A 90 -6.747 -2.645 -9.280 1.00 33.31 H new ATOM 0 HD22 LEU A 90 -5.690 -1.271 -8.878 1.00 33.31 H new ATOM 0 HD23 LEU A 90 -7.211 -0.996 -9.761 1.00 33.31 H new ATOM 1538 N GLU A 91 -5.321 2.243 -13.423 1.00 4.25 N ATOM 1539 CA GLU A 91 -4.685 3.449 -13.978 1.00 43.51 C ATOM 1540 C GLU A 91 -5.426 4.721 -13.530 1.00 53.23 C ATOM 1541 O GLU A 91 -4.793 5.732 -13.222 1.00 13.13 O ATOM 1542 CB GLU A 91 -4.637 3.359 -15.533 1.00 20.14 C ATOM 1543 CG GLU A 91 -3.905 4.524 -16.241 1.00 21.42 C ATOM 1544 CD GLU A 91 -2.392 4.578 -15.948 1.00 53.32 C ATOM 1545 OE1 GLU A 91 -1.610 3.937 -16.684 1.00 33.23 O ATOM 1546 OE2 GLU A 91 -1.976 5.259 -14.980 1.00 31.42 O ATOM 0 H GLU A 91 -5.732 1.642 -14.138 1.00 4.25 H new ATOM 0 HA GLU A 91 -3.665 3.507 -13.597 1.00 43.51 H new ATOM 0 HB2 GLU A 91 -4.151 2.424 -15.811 1.00 20.14 H new ATOM 0 HB3 GLU A 91 -5.659 3.312 -15.909 1.00 20.14 H new ATOM 0 HG2 GLU A 91 -4.054 4.434 -17.317 1.00 21.42 H new ATOM 0 HG3 GLU A 91 -4.359 5.466 -15.934 1.00 21.42 H new ATOM 1553 N GLU A 92 -6.769 4.659 -13.490 1.00 14.54 N ATOM 1554 CA GLU A 92 -7.599 5.785 -13.030 1.00 43.12 C ATOM 1555 C GLU A 92 -7.701 5.788 -11.494 1.00 34.22 C ATOM 1556 O GLU A 92 -7.738 6.858 -10.871 1.00 3.44 O ATOM 1557 CB GLU A 92 -9.006 5.727 -13.666 1.00 44.30 C ATOM 1558 CG GLU A 92 -9.926 6.892 -13.245 1.00 1.42 C ATOM 1559 CD GLU A 92 -11.310 6.869 -13.906 1.00 33.23 C ATOM 1560 OE1 GLU A 92 -11.460 7.432 -15.011 1.00 74.53 O ATOM 1561 OE2 GLU A 92 -12.257 6.311 -13.311 1.00 64.41 O ATOM 0 H GLU A 92 -7.304 3.837 -13.772 1.00 14.54 H new ATOM 0 HA GLU A 92 -7.121 6.712 -13.347 1.00 43.12 H new ATOM 0 HB2 GLU A 92 -8.905 5.730 -14.751 1.00 44.30 H new ATOM 0 HB3 GLU A 92 -9.480 4.784 -13.392 1.00 44.30 H new ATOM 0 HG2 GLU A 92 -10.052 6.868 -12.163 1.00 1.42 H new ATOM 0 HG3 GLU A 92 -9.435 7.834 -13.488 1.00 1.42 H new ATOM 1568 N PHE A 93 -7.726 4.578 -10.901 1.00 32.10 N ATOM 1569 CA PHE A 93 -7.834 4.388 -9.440 1.00 64.12 C ATOM 1570 C PHE A 93 -6.688 5.122 -8.723 1.00 1.04 C ATOM 1571 O PHE A 93 -6.916 5.886 -7.776 1.00 33.25 O ATOM 1572 CB PHE A 93 -7.814 2.872 -9.084 1.00 35.04 C ATOM 1573 CG PHE A 93 -8.126 2.569 -7.617 1.00 71.35 C ATOM 1574 CD1 PHE A 93 -9.441 2.391 -7.192 1.00 43.33 C ATOM 1575 CD2 PHE A 93 -7.110 2.477 -6.662 1.00 21.34 C ATOM 1576 CE1 PHE A 93 -9.723 2.127 -5.870 1.00 53.42 C ATOM 1577 CE2 PHE A 93 -7.395 2.213 -5.341 1.00 20.34 C ATOM 1578 CZ PHE A 93 -8.699 2.042 -4.945 1.00 15.23 C ATOM 0 H PHE A 93 -7.672 3.703 -11.422 1.00 32.10 H new ATOM 0 HA PHE A 93 -8.782 4.808 -9.104 1.00 64.12 H new ATOM 0 HB2 PHE A 93 -8.538 2.353 -9.713 1.00 35.04 H new ATOM 0 HB3 PHE A 93 -6.832 2.466 -9.326 1.00 35.04 H new ATOM 0 HD1 PHE A 93 -10.248 2.461 -7.907 1.00 43.33 H new ATOM 0 HD2 PHE A 93 -6.083 2.615 -6.965 1.00 21.34 H new ATOM 0 HE1 PHE A 93 -10.746 1.986 -5.555 1.00 53.42 H new ATOM 0 HE2 PHE A 93 -6.596 2.141 -4.618 1.00 20.34 H new ATOM 0 HZ PHE A 93 -8.925 1.841 -3.908 1.00 15.23 H new ATOM 1588 N LYS A 94 -5.460 4.900 -9.230 1.00 31.23 N ATOM 1589 CA LYS A 94 -4.240 5.478 -8.660 1.00 53.32 C ATOM 1590 C LYS A 94 -4.219 7.018 -8.795 1.00 40.13 C ATOM 1591 O LYS A 94 -3.600 7.697 -7.979 1.00 63.11 O ATOM 1592 CB LYS A 94 -2.969 4.804 -9.275 1.00 35.32 C ATOM 1593 CG LYS A 94 -2.729 4.970 -10.805 1.00 74.31 C ATOM 1594 CD LYS A 94 -2.022 6.287 -11.214 1.00 31.40 C ATOM 1595 CE LYS A 94 -0.636 6.451 -10.567 1.00 54.11 C ATOM 1596 NZ LYS A 94 -0.007 7.746 -10.945 1.00 54.21 N ATOM 0 H LYS A 94 -5.292 4.313 -10.047 1.00 31.23 H new ATOM 0 HA LYS A 94 -4.232 5.268 -7.590 1.00 53.32 H new ATOM 0 HB2 LYS A 94 -2.096 5.197 -8.754 1.00 35.32 H new ATOM 0 HB3 LYS A 94 -3.017 3.737 -9.057 1.00 35.32 H new ATOM 0 HG2 LYS A 94 -2.132 4.129 -11.158 1.00 74.31 H new ATOM 0 HG3 LYS A 94 -3.690 4.916 -11.317 1.00 74.31 H new ATOM 0 HD2 LYS A 94 -1.916 6.314 -12.299 1.00 31.40 H new ATOM 0 HD3 LYS A 94 -2.650 7.132 -10.933 1.00 31.40 H new ATOM 0 HE2 LYS A 94 -0.731 6.394 -9.483 1.00 54.11 H new ATOM 0 HE3 LYS A 94 0.010 5.628 -10.874 1.00 54.11 H new ATOM 0 HZ1 LYS A 94 0.968 7.578 -11.266 1.00 54.21 H new ATOM 0 HZ2 LYS A 94 -0.553 8.186 -11.713 1.00 54.21 H new ATOM 0 HZ3 LYS A 94 0.004 8.380 -10.121 1.00 54.21 H new ATOM 1610 N ARG A 95 -4.912 7.557 -9.824 1.00 32.22 N ATOM 1611 CA ARG A 95 -5.012 9.017 -10.049 1.00 41.11 C ATOM 1612 C ARG A 95 -5.818 9.689 -8.921 1.00 42.14 C ATOM 1613 O ARG A 95 -5.435 10.758 -8.431 1.00 22.44 O ATOM 1614 CB ARG A 95 -5.659 9.317 -11.428 1.00 31.33 C ATOM 1615 CG ARG A 95 -4.820 8.855 -12.633 1.00 10.23 C ATOM 1616 CD ARG A 95 -5.527 9.095 -13.973 1.00 4.11 C ATOM 1617 NE ARG A 95 -5.784 10.523 -14.228 1.00 5.43 N ATOM 1618 CZ ARG A 95 -6.208 11.039 -15.394 1.00 50.51 C ATOM 1619 NH1 ARG A 95 -6.434 10.260 -16.457 1.00 1.51 N ATOM 1620 NH2 ARG A 95 -6.384 12.353 -15.496 1.00 74.22 N ATOM 0 H ARG A 95 -5.413 6.999 -10.515 1.00 32.22 H new ATOM 0 HA ARG A 95 -4.003 9.429 -10.044 1.00 41.11 H new ATOM 0 HB2 ARG A 95 -6.635 8.833 -11.472 1.00 31.33 H new ATOM 0 HB3 ARG A 95 -5.832 10.390 -11.510 1.00 31.33 H new ATOM 0 HG2 ARG A 95 -3.866 9.383 -12.630 1.00 10.23 H new ATOM 0 HG3 ARG A 95 -4.597 7.793 -12.530 1.00 10.23 H new ATOM 0 HD2 ARG A 95 -4.917 8.689 -14.780 1.00 4.11 H new ATOM 0 HD3 ARG A 95 -6.472 8.552 -13.984 1.00 4.11 H new ATOM 0 HE ARG A 95 -5.627 11.172 -13.457 1.00 5.43 H new ATOM 0 HH11 ARG A 95 -6.285 9.253 -16.392 1.00 1.51 H new ATOM 0 HH12 ARG A 95 -6.756 10.673 -17.333 1.00 1.51 H new ATOM 0 HH21 ARG A 95 -6.198 12.956 -14.695 1.00 74.22 H new ATOM 0 HH22 ARG A 95 -6.705 12.758 -16.375 1.00 74.22 H new ATOM 1634 N LYS A 96 -6.924 9.033 -8.514 1.00 15.24 N ATOM 1635 CA LYS A 96 -7.777 9.500 -7.402 1.00 24.31 C ATOM 1636 C LYS A 96 -6.984 9.523 -6.083 1.00 43.34 C ATOM 1637 O LYS A 96 -6.984 10.532 -5.376 1.00 64.41 O ATOM 1638 CB LYS A 96 -9.056 8.614 -7.250 1.00 35.33 C ATOM 1639 CG LYS A 96 -10.261 9.037 -8.127 1.00 4.25 C ATOM 1640 CD LYS A 96 -10.038 8.839 -9.640 1.00 50.23 C ATOM 1641 CE LYS A 96 -11.233 9.341 -10.475 1.00 4.51 C ATOM 1642 NZ LYS A 96 -12.513 8.678 -10.089 1.00 64.12 N ATOM 0 H LYS A 96 -7.250 8.168 -8.945 1.00 15.24 H new ATOM 0 HA LYS A 96 -8.098 10.515 -7.637 1.00 24.31 H new ATOM 0 HB2 LYS A 96 -8.795 7.584 -7.492 1.00 35.33 H new ATOM 0 HB3 LYS A 96 -9.366 8.628 -6.205 1.00 35.33 H new ATOM 0 HG2 LYS A 96 -11.137 8.465 -7.822 1.00 4.25 H new ATOM 0 HG3 LYS A 96 -10.484 10.087 -7.938 1.00 4.25 H new ATOM 0 HD2 LYS A 96 -9.136 9.369 -9.945 1.00 50.23 H new ATOM 0 HD3 LYS A 96 -9.872 7.782 -9.846 1.00 50.23 H new ATOM 0 HE2 LYS A 96 -11.333 10.419 -10.350 1.00 4.51 H new ATOM 0 HE3 LYS A 96 -11.037 9.159 -11.532 1.00 4.51 H new ATOM 0 HZ1 LYS A 96 -13.263 8.958 -10.753 1.00 64.12 H new ATOM 0 HZ2 LYS A 96 -12.392 7.646 -10.119 1.00 64.12 H new ATOM 0 HZ3 LYS A 96 -12.777 8.968 -9.126 1.00 64.12 H new ATOM 1656 N ILE A 97 -6.283 8.411 -5.796 1.00 62.21 N ATOM 1657 CA ILE A 97 -5.502 8.237 -4.553 1.00 3.22 C ATOM 1658 C ILE A 97 -4.332 9.259 -4.494 1.00 32.34 C ATOM 1659 O ILE A 97 -3.983 9.772 -3.421 1.00 11.01 O ATOM 1660 CB ILE A 97 -4.967 6.755 -4.444 1.00 13.53 C ATOM 1661 CG1 ILE A 97 -6.144 5.724 -4.541 1.00 2.44 C ATOM 1662 CG2 ILE A 97 -4.135 6.528 -3.159 1.00 72.14 C ATOM 1663 CD1 ILE A 97 -7.256 5.884 -3.504 1.00 64.20 C ATOM 0 H ILE A 97 -6.241 7.605 -6.419 1.00 62.21 H new ATOM 0 HA ILE A 97 -6.155 8.426 -3.701 1.00 3.22 H new ATOM 0 HB ILE A 97 -4.299 6.593 -5.290 1.00 13.53 H new ATOM 0 HG12 ILE A 97 -6.586 5.798 -5.535 1.00 2.44 H new ATOM 0 HG13 ILE A 97 -5.730 4.720 -4.451 1.00 2.44 H new ATOM 0 HG21 ILE A 97 -3.789 5.495 -3.128 1.00 72.14 H new ATOM 0 HG22 ILE A 97 -3.276 7.199 -3.158 1.00 72.14 H new ATOM 0 HG23 ILE A 97 -4.754 6.730 -2.285 1.00 72.14 H new ATOM 0 HD11 ILE A 97 -8.016 5.120 -3.665 1.00 64.20 H new ATOM 0 HD12 ILE A 97 -6.838 5.776 -2.503 1.00 64.20 H new ATOM 0 HD13 ILE A 97 -7.707 6.871 -3.604 1.00 64.20 H new ATOM 1675 N GLU A 98 -3.777 9.571 -5.681 1.00 10.23 N ATOM 1676 CA GLU A 98 -2.692 10.560 -5.857 1.00 50.15 C ATOM 1677 C GLU A 98 -3.205 11.992 -5.621 1.00 13.31 C ATOM 1678 O GLU A 98 -2.488 12.840 -5.074 1.00 45.11 O ATOM 1679 CB GLU A 98 -2.095 10.412 -7.282 1.00 1.24 C ATOM 1680 CG GLU A 98 -0.842 11.258 -7.553 1.00 0.21 C ATOM 1681 CD GLU A 98 -0.248 10.998 -8.943 1.00 52.45 C ATOM 1682 OE1 GLU A 98 0.343 9.916 -9.151 1.00 72.02 O ATOM 1683 OE2 GLU A 98 -0.383 11.856 -9.839 1.00 41.32 O ATOM 0 H GLU A 98 -4.072 9.139 -6.556 1.00 10.23 H new ATOM 0 HA GLU A 98 -1.912 10.370 -5.119 1.00 50.15 H new ATOM 0 HB2 GLU A 98 -1.850 9.363 -7.450 1.00 1.24 H new ATOM 0 HB3 GLU A 98 -2.861 10.681 -8.010 1.00 1.24 H new ATOM 0 HG2 GLU A 98 -1.094 12.315 -7.461 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -0.090 11.042 -6.794 1.00 0.21 H new ATOM 1690 N SER A 99 -4.470 12.229 -6.003 1.00 64.55 N ATOM 1691 CA SER A 99 -5.140 13.533 -5.833 1.00 30.41 C ATOM 1692 C SER A 99 -5.537 13.766 -4.351 1.00 43.22 C ATOM 1693 O SER A 99 -5.890 14.886 -3.960 1.00 40.25 O ATOM 1694 CB SER A 99 -6.373 13.607 -6.763 1.00 12.14 C ATOM 1695 OG SER A 99 -6.988 14.888 -6.735 1.00 23.44 O ATOM 0 H SER A 99 -5.061 11.521 -6.440 1.00 64.55 H new ATOM 0 HA SER A 99 -4.446 14.327 -6.109 1.00 30.41 H new ATOM 0 HB2 SER A 99 -6.071 13.373 -7.784 1.00 12.14 H new ATOM 0 HB3 SER A 99 -7.098 12.851 -6.463 1.00 12.14 H new ATOM 0 HG SER A 99 -6.858 15.294 -5.852 1.00 23.44 H new ATOM 1701 N GLN A 100 -5.477 12.688 -3.539 1.00 41.41 N ATOM 1702 CA GLN A 100 -5.689 12.743 -2.074 1.00 1.31 C ATOM 1703 C GLN A 100 -4.353 12.979 -1.326 1.00 50.24 C ATOM 1704 O GLN A 100 -4.330 13.050 -0.087 1.00 1.50 O ATOM 1705 CB GLN A 100 -6.340 11.415 -1.606 1.00 71.13 C ATOM 1706 CG GLN A 100 -7.673 11.078 -2.295 1.00 23.04 C ATOM 1707 CD GLN A 100 -8.193 9.667 -1.994 1.00 61.43 C ATOM 1708 OE1 GLN A 100 -8.811 9.033 -2.856 1.00 63.33 O ATOM 1709 NE2 GLN A 100 -8.008 9.184 -0.767 1.00 1.52 N ATOM 0 H GLN A 100 -5.279 11.748 -3.883 1.00 41.41 H new ATOM 0 HA GLN A 100 -6.350 13.579 -1.843 1.00 1.31 H new ATOM 0 HB2 GLN A 100 -5.638 10.600 -1.783 1.00 71.13 H new ATOM 0 HB3 GLN A 100 -6.505 11.466 -0.530 1.00 71.13 H new ATOM 0 HG2 GLN A 100 -8.424 11.804 -1.985 1.00 23.04 H new ATOM 0 HG3 GLN A 100 -7.551 11.187 -3.373 1.00 23.04 H new ATOM 0 HE21 GLN A 100 -7.494 9.730 -0.076 1.00 1.52 H new ATOM 0 HE22 GLN A 100 -8.381 8.268 -0.518 1.00 1.52 H new ATOM 1718 N GLY A 101 -3.244 13.078 -2.088 1.00 50.43 N ATOM 1719 CA GLY A 101 -1.922 13.368 -1.530 1.00 1.23 C ATOM 1720 C GLY A 101 -1.182 12.125 -1.048 1.00 60.03 C ATOM 1721 O GLY A 101 -0.329 12.214 -0.157 1.00 63.14 O ATOM 0 H GLY A 101 -3.247 12.959 -3.101 1.00 50.43 H new ATOM 0 HA2 GLY A 101 -1.319 13.870 -2.286 1.00 1.23 H new ATOM 0 HA3 GLY A 101 -2.032 14.062 -0.697 1.00 1.23 H new ATOM 1725 N TYR A 102 -1.506 10.960 -1.631 1.00 22.11 N ATOM 1726 CA TYR A 102 -0.817 9.691 -1.316 1.00 14.21 C ATOM 1727 C TYR A 102 0.098 9.284 -2.474 1.00 10.20 C ATOM 1728 O TYR A 102 -0.260 9.458 -3.647 1.00 1.13 O ATOM 1729 CB TYR A 102 -1.837 8.568 -1.004 1.00 5.24 C ATOM 1730 CG TYR A 102 -2.687 8.845 0.243 1.00 54.43 C ATOM 1731 CD1 TYR A 102 -2.120 8.796 1.521 1.00 41.21 C ATOM 1732 CD2 TYR A 102 -4.042 9.172 0.147 1.00 54.12 C ATOM 1733 CE1 TYR A 102 -2.872 9.062 2.648 1.00 14.14 C ATOM 1734 CE2 TYR A 102 -4.796 9.443 1.276 1.00 5.51 C ATOM 1735 CZ TYR A 102 -4.208 9.384 2.522 1.00 4.13 C ATOM 1736 OH TYR A 102 -4.955 9.656 3.646 1.00 62.21 O ATOM 0 H TYR A 102 -2.245 10.867 -2.328 1.00 22.11 H new ATOM 0 HA TYR A 102 -0.206 9.844 -0.426 1.00 14.21 H new ATOM 0 HB2 TYR A 102 -2.496 8.438 -1.862 1.00 5.24 H new ATOM 0 HB3 TYR A 102 -1.301 7.629 -0.868 1.00 5.24 H new ATOM 0 HD1 TYR A 102 -1.075 8.546 1.628 1.00 41.21 H new ATOM 0 HD2 TYR A 102 -4.510 9.214 -0.826 1.00 54.12 H new ATOM 0 HE1 TYR A 102 -2.416 9.018 3.626 1.00 14.14 H new ATOM 0 HE2 TYR A 102 -5.841 9.700 1.181 1.00 5.51 H new ATOM 0 HH TYR A 102 -5.799 9.160 3.606 1.00 62.21 H new ATOM 1746 N GLU A 103 1.286 8.762 -2.126 1.00 33.43 N ATOM 1747 CA GLU A 103 2.277 8.288 -3.098 1.00 51.21 C ATOM 1748 C GLU A 103 1.842 6.907 -3.611 1.00 33.10 C ATOM 1749 O GLU A 103 1.985 5.904 -2.921 1.00 52.23 O ATOM 1750 CB GLU A 103 3.681 8.240 -2.435 1.00 45.54 C ATOM 1751 CG GLU A 103 4.821 7.696 -3.327 1.00 34.33 C ATOM 1752 CD GLU A 103 5.032 8.498 -4.615 1.00 62.41 C ATOM 1753 OE1 GLU A 103 5.415 9.678 -4.523 1.00 41.54 O ATOM 1754 OE2 GLU A 103 4.828 7.963 -5.720 1.00 0.25 O ATOM 0 H GLU A 103 1.584 8.658 -1.156 1.00 33.43 H new ATOM 0 HA GLU A 103 2.339 8.969 -3.946 1.00 51.21 H new ATOM 0 HB2 GLU A 103 3.945 9.247 -2.112 1.00 45.54 H new ATOM 0 HB3 GLU A 103 3.619 7.623 -1.538 1.00 45.54 H new ATOM 0 HG2 GLU A 103 5.749 7.694 -2.755 1.00 34.33 H new ATOM 0 HG3 GLU A 103 4.604 6.660 -3.586 1.00 34.33 H new ATOM 1761 N VAL A 104 1.283 6.879 -4.820 1.00 74.33 N ATOM 1762 CA VAL A 104 0.662 5.677 -5.387 1.00 60.14 C ATOM 1763 C VAL A 104 1.115 5.460 -6.836 1.00 52.14 C ATOM 1764 O VAL A 104 1.137 6.396 -7.645 1.00 75.23 O ATOM 1765 CB VAL A 104 -0.900 5.762 -5.299 1.00 13.50 C ATOM 1766 CG1 VAL A 104 -1.421 7.090 -5.864 1.00 1.34 C ATOM 1767 CG2 VAL A 104 -1.586 4.554 -5.983 1.00 42.22 C ATOM 0 H VAL A 104 1.247 7.690 -5.438 1.00 74.33 H new ATOM 0 HA VAL A 104 0.988 4.819 -4.799 1.00 60.14 H new ATOM 0 HB VAL A 104 -1.162 5.724 -4.242 1.00 13.50 H new ATOM 0 HG11 VAL A 104 -2.508 7.116 -5.788 1.00 1.34 H new ATOM 0 HG12 VAL A 104 -0.997 7.918 -5.296 1.00 1.34 H new ATOM 0 HG13 VAL A 104 -1.128 7.180 -6.910 1.00 1.34 H new ATOM 0 HG21 VAL A 104 -2.668 4.654 -5.898 1.00 42.22 H new ATOM 0 HG22 VAL A 104 -1.306 4.525 -7.036 1.00 42.22 H new ATOM 0 HG23 VAL A 104 -1.268 3.632 -5.497 1.00 42.22 H new ATOM 1777 N ARG A 105 1.488 4.214 -7.139 1.00 42.34 N ATOM 1778 CA ARG A 105 1.936 3.797 -8.468 1.00 53.03 C ATOM 1779 C ARG A 105 1.149 2.567 -8.916 1.00 50.44 C ATOM 1780 O ARG A 105 0.565 1.850 -8.095 1.00 60.10 O ATOM 1781 CB ARG A 105 3.455 3.497 -8.449 1.00 33.05 C ATOM 1782 CG ARG A 105 4.333 4.710 -8.077 1.00 33.03 C ATOM 1783 CD ARG A 105 4.204 5.866 -9.080 1.00 64.53 C ATOM 1784 NE ARG A 105 4.739 7.114 -8.538 1.00 73.13 N ATOM 1785 CZ ARG A 105 5.671 7.876 -9.107 1.00 1.30 C ATOM 1786 NH1 ARG A 105 6.241 7.538 -10.265 1.00 74.54 N ATOM 1787 NH2 ARG A 105 6.032 8.993 -8.502 1.00 62.52 N ATOM 0 H ARG A 105 1.487 3.456 -6.457 1.00 42.34 H new ATOM 0 HA ARG A 105 1.756 4.605 -9.177 1.00 53.03 H new ATOM 0 HB2 ARG A 105 3.646 2.692 -7.739 1.00 33.05 H new ATOM 0 HB3 ARG A 105 3.755 3.133 -9.432 1.00 33.05 H new ATOM 0 HG2 ARG A 105 4.055 5.063 -7.084 1.00 33.03 H new ATOM 0 HG3 ARG A 105 5.375 4.396 -8.023 1.00 33.03 H new ATOM 0 HD2 ARG A 105 4.733 5.612 -9.998 1.00 64.53 H new ATOM 0 HD3 ARG A 105 3.155 6.004 -9.344 1.00 64.53 H new ATOM 0 HE ARG A 105 4.365 7.429 -7.643 1.00 73.13 H new ATOM 0 HH11 ARG A 105 5.965 6.677 -10.737 1.00 74.54 H new ATOM 0 HH12 ARG A 105 6.953 8.141 -10.678 1.00 74.54 H new ATOM 0 HH21 ARG A 105 5.599 9.257 -7.617 1.00 62.52 H new ATOM 0 HH22 ARG A 105 6.744 9.592 -8.920 1.00 62.52 H new ATOM 1801 N LYS A 106 1.134 2.360 -10.230 1.00 43.22 N ATOM 1802 CA LYS A 106 0.496 1.217 -10.874 1.00 43.52 C ATOM 1803 C LYS A 106 1.434 0.697 -11.979 1.00 22.34 C ATOM 1804 O LYS A 106 1.923 1.474 -12.809 1.00 31.34 O ATOM 1805 CB LYS A 106 -0.909 1.640 -11.410 1.00 71.42 C ATOM 1806 CG LYS A 106 -1.775 0.521 -12.046 1.00 3.23 C ATOM 1807 CD LYS A 106 -1.399 0.188 -13.505 1.00 34.54 C ATOM 1808 CE LYS A 106 -1.534 1.404 -14.431 1.00 70.15 C ATOM 1809 NZ LYS A 106 -0.966 1.156 -15.778 1.00 44.01 N ATOM 0 H LYS A 106 1.576 2.998 -10.892 1.00 43.22 H new ATOM 0 HA LYS A 106 0.329 0.402 -10.170 1.00 43.52 H new ATOM 0 HB2 LYS A 106 -1.471 2.078 -10.585 1.00 71.42 H new ATOM 0 HB3 LYS A 106 -0.768 2.425 -12.152 1.00 71.42 H new ATOM 0 HG2 LYS A 106 -1.683 -0.382 -11.443 1.00 3.23 H new ATOM 0 HG3 LYS A 106 -2.822 0.822 -12.011 1.00 3.23 H new ATOM 0 HD2 LYS A 106 -0.374 -0.180 -13.539 1.00 34.54 H new ATOM 0 HD3 LYS A 106 -2.039 -0.616 -13.869 1.00 34.54 H new ATOM 0 HE2 LYS A 106 -2.587 1.669 -14.527 1.00 70.15 H new ATOM 0 HE3 LYS A 106 -1.030 2.259 -13.979 1.00 70.15 H new ATOM 0 HZ1 LYS A 106 -0.675 2.059 -16.204 1.00 44.01 H new ATOM 0 HZ2 LYS A 106 -0.140 0.529 -15.696 1.00 44.01 H new ATOM 0 HZ3 LYS A 106 -1.684 0.705 -16.380 1.00 44.01 H new ATOM 1823 N VAL A 107 1.654 -0.629 -11.986 1.00 51.53 N ATOM 1824 CA VAL A 107 2.544 -1.324 -12.938 1.00 32.11 C ATOM 1825 C VAL A 107 1.863 -2.601 -13.477 1.00 4.54 C ATOM 1826 O VAL A 107 0.696 -2.885 -13.164 1.00 11.31 O ATOM 1827 CB VAL A 107 3.934 -1.685 -12.271 1.00 3.24 C ATOM 1828 CG1 VAL A 107 4.749 -0.419 -11.916 1.00 50.23 C ATOM 1829 CG2 VAL A 107 3.731 -2.580 -11.031 1.00 60.41 C ATOM 0 H VAL A 107 1.211 -1.261 -11.319 1.00 51.53 H new ATOM 0 HA VAL A 107 2.736 -0.646 -13.770 1.00 32.11 H new ATOM 0 HB VAL A 107 4.513 -2.245 -13.006 1.00 3.24 H new ATOM 0 HG11 VAL A 107 5.695 -0.711 -11.461 1.00 50.23 H new ATOM 0 HG12 VAL A 107 4.944 0.154 -12.822 1.00 50.23 H new ATOM 0 HG13 VAL A 107 4.183 0.193 -11.214 1.00 50.23 H new ATOM 0 HG21 VAL A 107 4.699 -2.815 -10.589 1.00 60.41 H new ATOM 0 HG22 VAL A 107 3.117 -2.055 -10.300 1.00 60.41 H new ATOM 0 HG23 VAL A 107 3.233 -3.504 -11.326 1.00 60.41 H new ATOM 1839 N THR A 108 2.604 -3.333 -14.316 1.00 72.22 N ATOM 1840 CA THR A 108 2.187 -4.617 -14.903 1.00 12.03 C ATOM 1841 C THR A 108 3.298 -5.662 -14.714 1.00 4.45 C ATOM 1842 O THR A 108 3.024 -6.840 -14.455 1.00 43.30 O ATOM 1843 CB THR A 108 1.885 -4.456 -16.428 1.00 13.24 C ATOM 1844 OG1 THR A 108 2.934 -3.691 -17.048 1.00 73.13 O ATOM 1845 CG2 THR A 108 0.536 -3.780 -16.694 1.00 65.05 C ATOM 0 H THR A 108 3.535 -3.044 -14.615 1.00 72.22 H new ATOM 0 HA THR A 108 1.280 -4.947 -14.396 1.00 12.03 H new ATOM 0 HB THR A 108 1.837 -5.458 -16.855 1.00 13.24 H new ATOM 0 HG1 THR A 108 2.745 -3.592 -18.004 1.00 73.13 H new ATOM 0 HG21 THR A 108 0.378 -3.694 -17.769 1.00 65.05 H new ATOM 0 HG22 THR A 108 -0.263 -4.378 -16.256 1.00 65.05 H new ATOM 0 HG23 THR A 108 0.532 -2.786 -16.246 1.00 65.05 H new ATOM 1853 N ASP A 109 4.557 -5.211 -14.873 1.00 74.21 N ATOM 1854 CA ASP A 109 5.746 -6.059 -14.711 1.00 74.43 C ATOM 1855 C ASP A 109 6.051 -6.243 -13.220 1.00 62.52 C ATOM 1856 O ASP A 109 6.024 -5.273 -12.447 1.00 3.14 O ATOM 1857 CB ASP A 109 6.971 -5.438 -15.433 1.00 41.14 C ATOM 1858 CG ASP A 109 6.755 -5.277 -16.947 1.00 5.54 C ATOM 1859 OD1 ASP A 109 6.976 -6.251 -17.694 1.00 20.12 O ATOM 1860 OD2 ASP A 109 6.344 -4.184 -17.393 1.00 74.23 O ATOM 0 H ASP A 109 4.775 -4.245 -15.118 1.00 74.21 H new ATOM 0 HA ASP A 109 5.543 -7.031 -15.161 1.00 74.43 H new ATOM 0 HB2 ASP A 109 7.188 -4.463 -14.996 1.00 41.14 H new ATOM 0 HB3 ASP A 109 7.845 -6.066 -15.261 1.00 41.14 H new ATOM 1865 N ASP A 110 6.347 -7.492 -12.845 1.00 44.11 N ATOM 1866 CA ASP A 110 6.681 -7.894 -11.467 1.00 3.43 C ATOM 1867 C ASP A 110 8.069 -7.353 -11.060 1.00 21.41 C ATOM 1868 O ASP A 110 8.292 -6.967 -9.907 1.00 45.13 O ATOM 1869 CB ASP A 110 6.642 -9.446 -11.354 1.00 4.21 C ATOM 1870 CG ASP A 110 7.751 -10.161 -12.161 1.00 13.31 C ATOM 1871 OD1 ASP A 110 7.837 -9.961 -13.390 1.00 61.11 O ATOM 1872 OD2 ASP A 110 8.556 -10.901 -11.568 1.00 21.13 O ATOM 0 H ASP A 110 6.362 -8.272 -13.503 1.00 44.11 H new ATOM 0 HA ASP A 110 5.945 -7.468 -10.785 1.00 3.43 H new ATOM 0 HB2 ASP A 110 6.732 -9.726 -10.305 1.00 4.21 H new ATOM 0 HB3 ASP A 110 5.670 -9.801 -11.697 1.00 4.21 H new ATOM 1877 N GLU A 111 8.987 -7.348 -12.046 1.00 70.14 N ATOM 1878 CA GLU A 111 10.335 -6.780 -11.907 1.00 32.25 C ATOM 1879 C GLU A 111 10.252 -5.265 -11.662 1.00 44.43 C ATOM 1880 O GLU A 111 10.957 -4.725 -10.799 1.00 52.11 O ATOM 1881 CB GLU A 111 11.188 -7.120 -13.164 1.00 41.42 C ATOM 1882 CG GLU A 111 10.522 -6.773 -14.515 1.00 42.14 C ATOM 1883 CD GLU A 111 11.343 -7.223 -15.739 1.00 71.34 C ATOM 1884 OE1 GLU A 111 11.294 -8.424 -16.089 1.00 42.11 O ATOM 1885 OE2 GLU A 111 12.041 -6.388 -16.349 1.00 12.43 O ATOM 0 H GLU A 111 8.808 -7.743 -12.969 1.00 70.14 H new ATOM 0 HA GLU A 111 10.828 -7.223 -11.042 1.00 32.25 H new ATOM 0 HB2 GLU A 111 12.137 -6.588 -13.096 1.00 41.42 H new ATOM 0 HB3 GLU A 111 11.418 -8.185 -13.152 1.00 41.42 H new ATOM 0 HG2 GLU A 111 9.538 -7.240 -14.556 1.00 42.14 H new ATOM 0 HG3 GLU A 111 10.366 -5.695 -14.568 1.00 42.14 H new ATOM 1892 N GLU A 112 9.328 -4.606 -12.381 1.00 34.14 N ATOM 1893 CA GLU A 112 9.120 -3.163 -12.266 1.00 74.15 C ATOM 1894 C GLU A 112 8.464 -2.826 -10.915 1.00 44.33 C ATOM 1895 O GLU A 112 8.784 -1.806 -10.316 1.00 75.03 O ATOM 1896 CB GLU A 112 8.265 -2.643 -13.447 1.00 50.33 C ATOM 1897 CG GLU A 112 8.096 -1.108 -13.517 1.00 13.40 C ATOM 1898 CD GLU A 112 9.405 -0.332 -13.733 1.00 15.51 C ATOM 1899 OE1 GLU A 112 10.113 -0.607 -14.722 1.00 41.42 O ATOM 1900 OE2 GLU A 112 9.724 0.572 -12.933 1.00 2.11 O ATOM 0 H GLU A 112 8.710 -5.061 -13.053 1.00 34.14 H new ATOM 0 HA GLU A 112 10.088 -2.663 -12.308 1.00 74.15 H new ATOM 0 HB2 GLU A 112 8.716 -2.985 -14.378 1.00 50.33 H new ATOM 0 HB3 GLU A 112 7.276 -3.098 -13.386 1.00 50.33 H new ATOM 0 HG2 GLU A 112 7.408 -0.867 -14.327 1.00 13.40 H new ATOM 0 HG3 GLU A 112 7.633 -0.764 -12.593 1.00 13.40 H new ATOM 1907 N ALA A 113 7.587 -3.714 -10.423 1.00 71.13 N ATOM 1908 CA ALA A 113 6.912 -3.530 -9.126 1.00 42.14 C ATOM 1909 C ALA A 113 7.923 -3.399 -7.968 1.00 12.51 C ATOM 1910 O ALA A 113 7.775 -2.515 -7.125 1.00 40.34 O ATOM 1911 CB ALA A 113 5.941 -4.688 -8.864 1.00 25.30 C ATOM 0 H ALA A 113 7.326 -4.573 -10.907 1.00 71.13 H new ATOM 0 HA ALA A 113 6.349 -2.598 -9.174 1.00 42.14 H new ATOM 0 HB1 ALA A 113 5.449 -4.540 -7.903 1.00 25.30 H new ATOM 0 HB2 ALA A 113 5.191 -4.720 -9.654 1.00 25.30 H new ATOM 0 HB3 ALA A 113 6.492 -5.628 -8.848 1.00 25.30 H new ATOM 1917 N LEU A 114 8.967 -4.258 -7.976 1.00 52.12 N ATOM 1918 CA LEU A 114 9.972 -4.310 -6.890 1.00 15.20 C ATOM 1919 C LEU A 114 10.820 -3.030 -6.832 1.00 0.43 C ATOM 1920 O LEU A 114 11.101 -2.514 -5.744 1.00 62.22 O ATOM 1921 CB LEU A 114 10.895 -5.554 -7.025 1.00 45.24 C ATOM 1922 CG LEU A 114 10.192 -6.949 -7.017 1.00 62.31 C ATOM 1923 CD1 LEU A 114 11.210 -8.080 -6.761 1.00 4.30 C ATOM 1924 CD2 LEU A 114 9.025 -7.001 -6.009 1.00 43.13 C ATOM 0 H LEU A 114 9.136 -4.928 -8.726 1.00 52.12 H new ATOM 0 HA LEU A 114 9.415 -4.391 -5.956 1.00 15.20 H new ATOM 0 HB2 LEU A 114 11.458 -5.461 -7.954 1.00 45.24 H new ATOM 0 HB3 LEU A 114 11.618 -5.532 -6.210 1.00 45.24 H new ATOM 0 HG LEU A 114 9.762 -7.103 -8.007 1.00 62.31 H new ATOM 0 HD11 LEU A 114 10.694 -9.040 -6.760 1.00 4.30 H new ATOM 0 HD12 LEU A 114 11.966 -8.074 -7.547 1.00 4.30 H new ATOM 0 HD13 LEU A 114 11.690 -7.925 -5.795 1.00 4.30 H new ATOM 0 HD21 LEU A 114 8.564 -7.989 -6.036 1.00 43.13 H new ATOM 0 HD22 LEU A 114 9.402 -6.804 -5.005 1.00 43.13 H new ATOM 0 HD23 LEU A 114 8.283 -6.247 -6.272 1.00 43.13 H new ATOM 1936 N LYS A 115 11.200 -2.510 -8.011 1.00 52.03 N ATOM 1937 CA LYS A 115 12.022 -1.290 -8.113 1.00 3.21 C ATOM 1938 C LYS A 115 11.176 -0.039 -7.779 1.00 32.22 C ATOM 1939 O LYS A 115 11.726 0.981 -7.361 1.00 53.43 O ATOM 1940 CB LYS A 115 12.714 -1.201 -9.513 1.00 73.24 C ATOM 1941 CG LYS A 115 11.757 -1.244 -10.713 1.00 11.01 C ATOM 1942 CD LYS A 115 12.451 -1.493 -12.080 1.00 72.25 C ATOM 1943 CE LYS A 115 13.298 -0.317 -12.563 1.00 50.01 C ATOM 1944 NZ LYS A 115 12.517 0.945 -12.630 1.00 13.25 N ATOM 0 H LYS A 115 10.950 -2.917 -8.912 1.00 52.03 H new ATOM 0 HA LYS A 115 12.823 -1.336 -7.375 1.00 3.21 H new ATOM 0 HB2 LYS A 115 13.289 -0.276 -9.559 1.00 73.24 H new ATOM 0 HB3 LYS A 115 13.424 -2.023 -9.604 1.00 73.24 H new ATOM 0 HG2 LYS A 115 11.019 -2.029 -10.546 1.00 11.01 H new ATOM 0 HG3 LYS A 115 11.213 -0.301 -10.762 1.00 11.01 H new ATOM 0 HD2 LYS A 115 13.084 -2.377 -12.000 1.00 72.25 H new ATOM 0 HD3 LYS A 115 11.690 -1.713 -12.829 1.00 72.25 H new ATOM 0 HE2 LYS A 115 14.146 -0.182 -11.892 1.00 50.01 H new ATOM 0 HE3 LYS A 115 13.704 -0.544 -13.549 1.00 50.01 H new ATOM 0 HZ1 LYS A 115 12.833 1.506 -13.447 1.00 13.25 H new ATOM 0 HZ2 LYS A 115 11.506 0.723 -12.733 1.00 13.25 H new ATOM 0 HZ3 LYS A 115 12.664 1.491 -11.757 1.00 13.25 H new ATOM 1958 N ILE A 116 9.835 -0.144 -7.933 1.00 42.43 N ATOM 1959 CA ILE A 116 8.887 0.910 -7.503 1.00 0.33 C ATOM 1960 C ILE A 116 8.740 0.925 -5.958 1.00 14.43 C ATOM 1961 O ILE A 116 8.630 2.000 -5.350 1.00 32.11 O ATOM 1962 CB ILE A 116 7.476 0.735 -8.187 1.00 72.41 C ATOM 1963 CG1 ILE A 116 7.572 0.914 -9.733 1.00 63.10 C ATOM 1964 CG2 ILE A 116 6.427 1.698 -7.598 1.00 63.55 C ATOM 1965 CD1 ILE A 116 8.120 2.244 -10.207 1.00 33.31 C ATOM 0 H ILE A 116 9.383 -0.955 -8.355 1.00 42.43 H new ATOM 0 HA ILE A 116 9.298 1.867 -7.823 1.00 0.33 H new ATOM 0 HB ILE A 116 7.147 -0.283 -7.977 1.00 72.41 H new ATOM 0 HG12 ILE A 116 8.201 0.119 -10.134 1.00 63.10 H new ATOM 0 HG13 ILE A 116 6.578 0.779 -10.158 1.00 63.10 H new ATOM 0 HG21 ILE A 116 5.471 1.544 -8.097 1.00 63.55 H new ATOM 0 HG22 ILE A 116 6.315 1.505 -6.531 1.00 63.55 H new ATOM 0 HG23 ILE A 116 6.753 2.727 -7.748 1.00 63.55 H new ATOM 0 HD11 ILE A 116 8.143 2.260 -11.297 1.00 33.31 H new ATOM 0 HD12 ILE A 116 7.482 3.050 -9.845 1.00 33.31 H new ATOM 0 HD13 ILE A 116 9.130 2.380 -9.821 1.00 33.31 H new ATOM 1977 N VAL A 117 8.740 -0.276 -5.340 1.00 22.15 N ATOM 1978 CA VAL A 117 8.753 -0.435 -3.864 1.00 65.13 C ATOM 1979 C VAL A 117 9.961 0.315 -3.254 1.00 53.34 C ATOM 1980 O VAL A 117 9.848 0.962 -2.210 1.00 60.22 O ATOM 1981 CB VAL A 117 8.775 -1.961 -3.451 1.00 52.11 C ATOM 1982 CG1 VAL A 117 8.911 -2.156 -1.926 1.00 33.21 C ATOM 1983 CG2 VAL A 117 7.518 -2.692 -3.969 1.00 45.41 C ATOM 0 H VAL A 117 8.731 -1.162 -5.846 1.00 22.15 H new ATOM 0 HA VAL A 117 7.836 0.001 -3.469 1.00 65.13 H new ATOM 0 HB VAL A 117 9.658 -2.397 -3.918 1.00 52.11 H new ATOM 0 HG11 VAL A 117 8.921 -3.221 -1.695 1.00 33.21 H new ATOM 0 HG12 VAL A 117 9.840 -1.701 -1.582 1.00 33.21 H new ATOM 0 HG13 VAL A 117 8.068 -1.683 -1.422 1.00 33.21 H new ATOM 0 HG21 VAL A 117 7.558 -3.740 -3.671 1.00 45.41 H new ATOM 0 HG22 VAL A 117 6.627 -2.228 -3.546 1.00 45.41 H new ATOM 0 HG23 VAL A 117 7.480 -2.625 -5.056 1.00 45.41 H new ATOM 1993 N ARG A 118 11.088 0.264 -3.979 1.00 11.12 N ATOM 1994 CA ARG A 118 12.347 0.921 -3.589 1.00 34.42 C ATOM 1995 C ARG A 118 12.252 2.458 -3.741 1.00 31.35 C ATOM 1996 O ARG A 118 12.918 3.196 -3.006 1.00 35.51 O ATOM 1997 CB ARG A 118 13.507 0.332 -4.433 1.00 62.20 C ATOM 1998 CG ARG A 118 13.649 -1.204 -4.298 1.00 65.33 C ATOM 1999 CD ARG A 118 14.650 -1.815 -5.291 1.00 44.40 C ATOM 2000 NE ARG A 118 14.642 -3.287 -5.240 1.00 62.02 N ATOM 2001 CZ ARG A 118 15.214 -4.102 -6.145 1.00 31.44 C ATOM 2002 NH1 ARG A 118 15.863 -3.615 -7.205 1.00 40.32 N ATOM 2003 NH2 ARG A 118 15.138 -5.415 -5.970 1.00 24.33 N ATOM 0 H ARG A 118 11.153 -0.240 -4.863 1.00 11.12 H new ATOM 0 HA ARG A 118 12.543 0.727 -2.534 1.00 34.42 H new ATOM 0 HB2 ARG A 118 13.347 0.584 -5.481 1.00 62.20 H new ATOM 0 HB3 ARG A 118 14.442 0.804 -4.131 1.00 62.20 H new ATOM 0 HG2 ARG A 118 13.964 -1.444 -3.282 1.00 65.33 H new ATOM 0 HG3 ARG A 118 12.673 -1.666 -4.447 1.00 65.33 H new ATOM 0 HD2 ARG A 118 14.407 -1.485 -6.301 1.00 44.40 H new ATOM 0 HD3 ARG A 118 15.652 -1.449 -5.068 1.00 44.40 H new ATOM 0 HE ARG A 118 14.163 -3.725 -4.453 1.00 62.02 H new ATOM 0 HH11 ARG A 118 15.933 -2.607 -7.341 1.00 40.32 H new ATOM 0 HH12 ARG A 118 16.289 -4.251 -7.879 1.00 40.32 H new ATOM 0 HH21 ARG A 118 14.651 -5.794 -5.158 1.00 24.33 H new ATOM 0 HH22 ARG A 118 15.567 -6.045 -6.648 1.00 24.33 H new ATOM 2017 N GLU A 119 11.408 2.936 -4.687 1.00 73.42 N ATOM 2018 CA GLU A 119 11.122 4.382 -4.846 1.00 63.32 C ATOM 2019 C GLU A 119 10.276 4.901 -3.672 1.00 64.23 C ATOM 2020 O GLU A 119 10.507 6.006 -3.181 1.00 21.02 O ATOM 2021 CB GLU A 119 10.401 4.675 -6.190 1.00 70.14 C ATOM 2022 CG GLU A 119 11.168 4.215 -7.444 1.00 15.03 C ATOM 2023 CD GLU A 119 12.572 4.841 -7.583 1.00 32.45 C ATOM 2024 OE1 GLU A 119 12.695 5.922 -8.190 1.00 14.42 O ATOM 2025 OE2 GLU A 119 13.558 4.247 -7.103 1.00 54.31 O ATOM 0 H GLU A 119 10.913 2.341 -5.351 1.00 73.42 H new ATOM 0 HA GLU A 119 12.078 4.905 -4.852 1.00 63.32 H new ATOM 0 HB2 GLU A 119 9.426 4.188 -6.178 1.00 70.14 H new ATOM 0 HB3 GLU A 119 10.220 5.747 -6.264 1.00 70.14 H new ATOM 0 HG2 GLU A 119 11.266 3.130 -7.420 1.00 15.03 H new ATOM 0 HG3 GLU A 119 10.581 4.463 -8.328 1.00 15.03 H new ATOM 2032 N PHE A 120 9.285 4.091 -3.235 1.00 71.13 N ATOM 2033 CA PHE A 120 8.461 4.390 -2.039 1.00 61.33 C ATOM 2034 C PHE A 120 9.336 4.626 -0.792 1.00 11.13 C ATOM 2035 O PHE A 120 8.986 5.439 0.062 1.00 54.32 O ATOM 2036 CB PHE A 120 7.441 3.255 -1.746 1.00 61.31 C ATOM 2037 CG PHE A 120 6.364 3.054 -2.812 1.00 4.41 C ATOM 2038 CD1 PHE A 120 5.723 4.143 -3.406 1.00 32.13 C ATOM 2039 CD2 PHE A 120 5.985 1.777 -3.208 1.00 45.42 C ATOM 2040 CE1 PHE A 120 4.731 3.954 -4.350 1.00 33.31 C ATOM 2041 CE2 PHE A 120 4.996 1.590 -4.145 1.00 70.04 C ATOM 2042 CZ PHE A 120 4.372 2.676 -4.724 1.00 55.41 C ATOM 0 H PHE A 120 9.034 3.217 -3.697 1.00 71.13 H new ATOM 0 HA PHE A 120 7.913 5.305 -2.263 1.00 61.33 H new ATOM 0 HB2 PHE A 120 7.988 2.320 -1.625 1.00 61.31 H new ATOM 0 HB3 PHE A 120 6.953 3.465 -0.794 1.00 61.31 H new ATOM 0 HD1 PHE A 120 6.006 5.146 -3.124 1.00 32.13 H new ATOM 0 HD2 PHE A 120 6.475 0.918 -2.773 1.00 45.42 H new ATOM 0 HE1 PHE A 120 4.238 4.806 -4.794 1.00 33.31 H new ATOM 0 HE2 PHE A 120 4.706 0.589 -4.429 1.00 70.04 H new ATOM 0 HZ PHE A 120 3.604 2.526 -5.468 1.00 55.41 H new ATOM 2052 N MET A 121 10.481 3.919 -0.726 1.00 31.12 N ATOM 2053 CA MET A 121 11.438 4.011 0.400 1.00 34.50 C ATOM 2054 C MET A 121 12.203 5.350 0.398 1.00 2.25 C ATOM 2055 O MET A 121 12.698 5.787 1.446 1.00 65.14 O ATOM 2056 CB MET A 121 12.443 2.839 0.349 1.00 53.34 C ATOM 2057 CG MET A 121 11.794 1.462 0.301 1.00 11.15 C ATOM 2058 SD MET A 121 10.666 1.184 1.679 1.00 44.32 S ATOM 2059 CE MET A 121 9.957 -0.394 1.222 1.00 23.01 C ATOM 0 H MET A 121 10.771 3.265 -1.453 1.00 31.12 H new ATOM 0 HA MET A 121 10.858 3.956 1.321 1.00 34.50 H new ATOM 0 HB2 MET A 121 13.080 2.959 -0.527 1.00 53.34 H new ATOM 0 HB3 MET A 121 13.091 2.893 1.224 1.00 53.34 H new ATOM 0 HG2 MET A 121 11.250 1.352 -0.637 1.00 11.15 H new ATOM 0 HG3 MET A 121 12.570 0.697 0.311 1.00 11.15 H new ATOM 0 HE1 MET A 121 9.720 -0.961 2.122 1.00 23.01 H new ATOM 0 HE2 MET A 121 9.047 -0.231 0.645 1.00 23.01 H new ATOM 0 HE3 MET A 121 10.672 -0.953 0.619 1.00 23.01 H new ATOM 2069 N GLN A 122 12.318 5.976 -0.791 1.00 33.15 N ATOM 2070 CA GLN A 122 12.951 7.303 -0.957 1.00 1.51 C ATOM 2071 C GLN A 122 12.047 8.391 -0.357 1.00 32.33 C ATOM 2072 O GLN A 122 12.494 9.228 0.443 1.00 2.41 O ATOM 2073 CB GLN A 122 13.215 7.610 -2.457 1.00 42.34 C ATOM 2074 CG GLN A 122 14.032 6.534 -3.201 1.00 62.31 C ATOM 2075 CD GLN A 122 14.366 6.909 -4.649 1.00 31.23 C ATOM 2076 OE1 GLN A 122 13.622 7.633 -5.312 1.00 25.22 O ATOM 2077 NE2 GLN A 122 15.483 6.416 -5.156 1.00 21.30 N ATOM 0 H GLN A 122 11.975 5.576 -1.664 1.00 33.15 H new ATOM 0 HA GLN A 122 13.907 7.293 -0.434 1.00 1.51 H new ATOM 0 HB2 GLN A 122 12.257 7.734 -2.963 1.00 42.34 H new ATOM 0 HB3 GLN A 122 13.740 8.562 -2.532 1.00 42.34 H new ATOM 0 HG2 GLN A 122 14.960 6.354 -2.658 1.00 62.31 H new ATOM 0 HG3 GLN A 122 13.473 5.598 -3.197 1.00 62.31 H new ATOM 0 HE21 GLN A 122 16.082 5.819 -4.586 1.00 21.30 H new ATOM 0 HE22 GLN A 122 15.746 6.633 -6.117 1.00 21.30 H new ATOM 2086 N LYS A 123 10.753 8.343 -0.748 1.00 23.34 N ATOM 2087 CA LYS A 123 9.727 9.284 -0.260 1.00 10.41 C ATOM 2088 C LYS A 123 9.489 9.070 1.249 1.00 70.43 C ATOM 2089 O LYS A 123 9.347 10.038 2.001 1.00 15.31 O ATOM 2090 CB LYS A 123 8.382 9.160 -1.056 1.00 64.53 C ATOM 2091 CG LYS A 123 8.405 9.668 -2.531 1.00 60.33 C ATOM 2092 CD LYS A 123 9.187 8.744 -3.493 1.00 53.53 C ATOM 2093 CE LYS A 123 9.295 9.281 -4.934 1.00 32.42 C ATOM 2094 NZ LYS A 123 7.978 9.364 -5.622 1.00 43.03 N ATOM 0 H LYS A 123 10.395 7.653 -1.408 1.00 23.34 H new ATOM 0 HA LYS A 123 10.101 10.294 -0.425 1.00 10.41 H new ATOM 0 HB2 LYS A 123 8.081 8.112 -1.059 1.00 64.53 H new ATOM 0 HB3 LYS A 123 7.612 9.711 -0.516 1.00 64.53 H new ATOM 0 HG2 LYS A 123 7.380 9.766 -2.888 1.00 60.33 H new ATOM 0 HG3 LYS A 123 8.848 10.663 -2.557 1.00 60.33 H new ATOM 0 HD2 LYS A 123 10.191 8.592 -3.097 1.00 53.53 H new ATOM 0 HD3 LYS A 123 8.702 7.768 -3.516 1.00 53.53 H new ATOM 0 HE2 LYS A 123 9.752 10.270 -4.914 1.00 32.42 H new ATOM 0 HE3 LYS A 123 9.959 8.635 -5.508 1.00 32.42 H new ATOM 0 HZ1 LYS A 123 8.055 9.997 -6.444 1.00 43.03 H new ATOM 0 HZ2 LYS A 123 7.692 8.416 -5.940 1.00 43.03 H new ATOM 0 HZ3 LYS A 123 7.265 9.737 -4.963 1.00 43.03 H new ATOM 2108 N ALA A 124 9.509 7.788 1.673 1.00 1.33 N ATOM 2109 CA ALA A 124 9.350 7.380 3.086 1.00 61.30 C ATOM 2110 C ALA A 124 10.592 7.755 3.906 1.00 31.14 C ATOM 2111 O ALA A 124 10.505 7.988 5.119 1.00 65.42 O ATOM 2112 CB ALA A 124 9.099 5.862 3.175 1.00 32.25 C ATOM 0 H ALA A 124 9.637 7.000 1.038 1.00 1.33 H new ATOM 0 HA ALA A 124 8.492 7.909 3.500 1.00 61.30 H new ATOM 0 HB1 ALA A 124 8.984 5.573 4.220 1.00 32.25 H new ATOM 0 HB2 ALA A 124 8.191 5.611 2.626 1.00 32.25 H new ATOM 0 HB3 ALA A 124 9.944 5.327 2.742 1.00 32.25 H new ATOM 2118 N GLY A 125 11.744 7.794 3.214 1.00 51.52 N ATOM 2119 CA GLY A 125 13.025 8.125 3.821 1.00 23.12 C ATOM 2120 C GLY A 125 13.063 9.531 4.375 1.00 44.22 C ATOM 2121 O GLY A 125 13.561 9.751 5.471 1.00 64.31 O ATOM 0 H GLY A 125 11.803 7.595 2.215 1.00 51.52 H new ATOM 0 HA2 GLY A 125 13.236 7.417 4.623 1.00 23.12 H new ATOM 0 HA3 GLY A 125 13.815 8.010 3.078 1.00 23.12 H new ATOM 2125 N SER A 126 12.504 10.479 3.617 1.00 0.03 N ATOM 2126 CA SER A 126 12.395 11.886 4.037 1.00 4.20 C ATOM 2127 C SER A 126 11.526 12.023 5.310 1.00 5.14 C ATOM 2128 O SER A 126 11.790 12.859 6.169 1.00 75.24 O ATOM 2129 CB SER A 126 11.792 12.700 2.884 1.00 72.31 C ATOM 2130 OG SER A 126 12.470 12.430 1.665 1.00 22.11 O ATOM 0 H SER A 126 12.113 10.296 2.693 1.00 0.03 H new ATOM 0 HA SER A 126 13.388 12.266 4.278 1.00 4.20 H new ATOM 0 HB2 SER A 126 10.734 12.459 2.778 1.00 72.31 H new ATOM 0 HB3 SER A 126 11.855 13.764 3.112 1.00 72.31 H new ATOM 0 HG SER A 126 12.068 12.958 0.943 1.00 22.11 H new ATOM 2136 N LEU A 127 10.536 11.118 5.433 1.00 61.02 N ATOM 2137 CA LEU A 127 9.518 11.142 6.506 1.00 74.23 C ATOM 2138 C LEU A 127 10.064 10.521 7.808 1.00 73.13 C ATOM 2139 O LEU A 127 9.371 10.509 8.832 1.00 2.21 O ATOM 2140 CB LEU A 127 8.271 10.370 6.020 1.00 33.24 C ATOM 2141 CG LEU A 127 7.699 10.834 4.648 1.00 50.01 C ATOM 2142 CD1 LEU A 127 6.648 9.855 4.120 1.00 60.53 C ATOM 2143 CD2 LEU A 127 7.142 12.267 4.722 1.00 34.10 C ATOM 0 H LEU A 127 10.418 10.340 4.784 1.00 61.02 H new ATOM 0 HA LEU A 127 9.253 12.176 6.726 1.00 74.23 H new ATOM 0 HB2 LEU A 127 8.522 9.311 5.952 1.00 33.24 H new ATOM 0 HB3 LEU A 127 7.488 10.464 6.773 1.00 33.24 H new ATOM 0 HG LEU A 127 8.526 10.842 3.939 1.00 50.01 H new ATOM 0 HD11 LEU A 127 6.270 10.209 3.161 1.00 60.53 H new ATOM 0 HD12 LEU A 127 7.099 8.871 3.991 1.00 60.53 H new ATOM 0 HD13 LEU A 127 5.825 9.786 4.831 1.00 60.53 H new ATOM 0 HD21 LEU A 127 6.752 12.556 3.746 1.00 34.10 H new ATOM 0 HD22 LEU A 127 6.341 12.308 5.460 1.00 34.10 H new ATOM 0 HD23 LEU A 127 7.938 12.952 5.012 1.00 34.10 H new ATOM 2155 N GLU A 128 11.297 9.989 7.735 1.00 61.13 N ATOM 2156 CA GLU A 128 12.050 9.482 8.896 1.00 2.23 C ATOM 2157 C GLU A 128 12.629 10.676 9.705 1.00 12.12 C ATOM 2158 O GLU A 128 12.847 10.560 10.914 1.00 13.14 O ATOM 2159 CB GLU A 128 13.162 8.515 8.373 1.00 25.12 C ATOM 2160 CG GLU A 128 13.818 7.559 9.407 1.00 34.50 C ATOM 2161 CD GLU A 128 14.800 8.222 10.398 1.00 53.44 C ATOM 2162 OE1 GLU A 128 15.759 8.883 9.949 1.00 71.22 O ATOM 2163 OE2 GLU A 128 14.639 8.056 11.628 1.00 12.13 O ATOM 0 H GLU A 128 11.806 9.898 6.855 1.00 61.13 H new ATOM 0 HA GLU A 128 11.404 8.925 9.575 1.00 2.23 H new ATOM 0 HB2 GLU A 128 12.733 7.907 7.576 1.00 25.12 H new ATOM 0 HB3 GLU A 128 13.951 9.119 7.924 1.00 25.12 H new ATOM 0 HG2 GLU A 128 13.027 7.072 9.978 1.00 34.50 H new ATOM 0 HG3 GLU A 128 14.349 6.776 8.866 1.00 34.50 H new ATOM 2170 N HIS A 129 12.801 11.835 9.009 1.00 73.22 N ATOM 2171 CA HIS A 129 13.381 13.089 9.562 1.00 42.43 C ATOM 2172 C HIS A 129 14.884 12.888 9.872 1.00 14.42 C ATOM 2173 O HIS A 129 15.243 12.452 10.965 1.00 5.31 O ATOM 2174 CB HIS A 129 12.624 13.623 10.831 1.00 54.53 C ATOM 2175 CG HIS A 129 11.150 13.890 10.645 1.00 1.34 C ATOM 2176 ND1 HIS A 129 10.593 15.159 10.664 1.00 4.42 N ATOM 2177 CD2 HIS A 129 10.107 13.042 10.499 1.00 61.21 C ATOM 2178 CE1 HIS A 129 9.286 15.063 10.538 1.00 43.05 C ATOM 2179 NE2 HIS A 129 8.968 13.794 10.428 1.00 71.41 N ATOM 0 H HIS A 129 12.534 11.923 8.028 1.00 73.22 H new ATOM 0 HA HIS A 129 13.261 13.853 8.794 1.00 42.43 H new ATOM 0 HB2 HIS A 129 12.745 12.899 11.636 1.00 54.53 H new ATOM 0 HB3 HIS A 129 13.104 14.546 11.157 1.00 54.53 H new ATOM 0 HD2 HIS A 129 10.164 11.965 10.448 1.00 61.21 H new ATOM 0 HE1 HIS A 129 8.591 15.890 10.527 1.00 43.05 H new ATOM 0 HE2 HIS A 129 8.023 13.428 10.309 1.00 71.41 H new ATOM 2188 N HIS A 130 15.754 13.186 8.885 1.00 65.34 N ATOM 2189 CA HIS A 130 17.225 13.041 9.023 1.00 2.41 C ATOM 2190 C HIS A 130 17.838 14.415 9.381 1.00 23.55 C ATOM 2191 O HIS A 130 17.206 15.185 10.114 1.00 64.13 O ATOM 2192 CB HIS A 130 17.814 12.464 7.703 1.00 12.02 C ATOM 2193 CG HIS A 130 17.271 11.114 7.314 1.00 73.13 C ATOM 2194 ND1 HIS A 130 17.976 9.938 7.455 1.00 62.22 N ATOM 2195 CD2 HIS A 130 16.085 10.764 6.771 1.00 32.45 C ATOM 2196 CE1 HIS A 130 17.247 8.938 7.007 1.00 55.45 C ATOM 2197 NE2 HIS A 130 16.098 9.410 6.591 1.00 31.02 N ATOM 0 H HIS A 130 15.462 13.533 7.971 1.00 65.34 H new ATOM 0 HA HIS A 130 17.469 12.345 9.826 1.00 2.41 H new ATOM 0 HB2 HIS A 130 17.617 13.168 6.894 1.00 12.02 H new ATOM 0 HB3 HIS A 130 18.897 12.390 7.805 1.00 12.02 H new ATOM 0 HD2 HIS A 130 15.274 11.433 6.524 1.00 32.45 H new ATOM 0 HE1 HIS A 130 17.546 7.901 6.986 1.00 55.45 H new ATOM 0 HE2 HIS A 130 15.337 8.857 6.197 1.00 31.02 H new ATOM 2206 N HIS A 131 19.081 14.702 8.901 1.00 42.11 N ATOM 2207 CA HIS A 131 19.676 16.061 8.946 1.00 53.50 C ATOM 2208 C HIS A 131 18.742 17.070 8.240 1.00 62.42 C ATOM 2209 O HIS A 131 18.615 18.223 8.657 1.00 14.31 O ATOM 2210 CB HIS A 131 21.088 16.053 8.288 1.00 2.11 C ATOM 2211 CG HIS A 131 21.753 17.412 8.211 1.00 51.31 C ATOM 2212 ND1 HIS A 131 22.232 18.086 9.316 1.00 1.45 N ATOM 2213 CD2 HIS A 131 21.997 18.228 7.153 1.00 1.24 C ATOM 2214 CE1 HIS A 131 22.731 19.248 8.940 1.00 74.40 C ATOM 2215 NE2 HIS A 131 22.604 19.354 7.638 1.00 34.32 N ATOM 0 H HIS A 131 19.690 14.002 8.477 1.00 42.11 H new ATOM 0 HA HIS A 131 19.789 16.367 9.986 1.00 53.50 H new ATOM 0 HB2 HIS A 131 21.733 15.378 8.851 1.00 2.11 H new ATOM 0 HB3 HIS A 131 21.003 15.647 7.280 1.00 2.11 H new ATOM 0 HD2 HIS A 131 21.756 18.025 6.120 1.00 1.24 H new ATOM 0 HE1 HIS A 131 23.170 19.987 9.593 1.00 74.40 H new ATOM 0 HE2 HIS A 131 22.909 20.149 7.077 1.00 34.32 H new ATOM 2224 N HIS A 132 18.099 16.595 7.163 1.00 10.53 N ATOM 2225 CA HIS A 132 17.017 17.301 6.467 1.00 25.01 C ATOM 2226 C HIS A 132 15.678 16.911 7.110 1.00 42.31 C ATOM 2227 O HIS A 132 15.369 15.721 7.249 1.00 11.54 O ATOM 2228 CB HIS A 132 17.049 16.913 4.973 1.00 75.25 C ATOM 2229 CG HIS A 132 15.920 17.446 4.134 1.00 3.30 C ATOM 2230 ND1 HIS A 132 14.919 16.647 3.636 1.00 52.25 N ATOM 2231 CD2 HIS A 132 15.670 18.687 3.666 1.00 30.10 C ATOM 2232 CE1 HIS A 132 14.109 17.370 2.897 1.00 33.40 C ATOM 2233 NE2 HIS A 132 14.538 18.613 2.901 1.00 60.31 N ATOM 0 H HIS A 132 18.322 15.692 6.745 1.00 10.53 H new ATOM 0 HA HIS A 132 17.142 18.381 6.549 1.00 25.01 H new ATOM 0 HB2 HIS A 132 17.990 17.262 4.547 1.00 75.25 H new ATOM 0 HB3 HIS A 132 17.049 15.825 4.899 1.00 75.25 H new ATOM 0 HD2 HIS A 132 16.255 19.574 3.859 1.00 30.10 H new ATOM 0 HE1 HIS A 132 13.237 17.005 2.374 1.00 33.40 H new ATOM 0 HE2 HIS A 132 14.099 19.394 2.414 1.00 60.31 H new ATOM 2242 N HIS A 133 14.901 17.918 7.526 1.00 22.15 N ATOM 2243 CA HIS A 133 13.605 17.722 8.204 1.00 12.20 C ATOM 2244 C HIS A 133 12.488 18.280 7.305 1.00 30.13 C ATOM 2245 O HIS A 133 11.627 17.531 6.838 1.00 5.04 O ATOM 2246 CB HIS A 133 13.588 18.410 9.598 1.00 12.55 C ATOM 2247 CG HIS A 133 14.691 17.982 10.530 1.00 12.44 C ATOM 2248 ND1 HIS A 133 14.489 17.209 11.654 1.00 53.13 N ATOM 2249 CD2 HIS A 133 16.019 18.244 10.503 1.00 13.10 C ATOM 2250 CE1 HIS A 133 15.643 17.017 12.264 1.00 61.33 C ATOM 2251 NE2 HIS A 133 16.585 17.632 11.586 1.00 2.31 N ATOM 0 H HIS A 133 15.151 18.899 7.403 1.00 22.15 H new ATOM 0 HA HIS A 133 13.445 16.657 8.371 1.00 12.20 H new ATOM 0 HB2 HIS A 133 13.651 19.489 9.455 1.00 12.55 H new ATOM 0 HB3 HIS A 133 12.629 18.207 10.076 1.00 12.55 H new ATOM 0 HD2 HIS A 133 16.538 18.831 9.759 1.00 13.10 H new ATOM 0 HE1 HIS A 133 15.789 16.448 13.171 1.00 61.33 H new ATOM 0 HE2 HIS A 133 17.576 17.650 11.828 1.00 2.31 H new ATOM 2260 N HIS A 134 12.515 19.605 7.055 1.00 62.10 N ATOM 2261 CA HIS A 134 11.575 20.262 6.125 1.00 43.51 C ATOM 2262 C HIS A 134 12.069 20.028 4.675 1.00 12.55 C ATOM 2263 O HIS A 134 13.002 20.732 4.236 1.00 11.44 O ATOM 2264 CB HIS A 134 11.442 21.785 6.454 1.00 2.24 C ATOM 2265 CG HIS A 134 10.408 22.517 5.619 1.00 14.10 C ATOM 2266 ND1 HIS A 134 9.099 22.693 6.023 1.00 71.14 N ATOM 2267 CD2 HIS A 134 10.492 23.114 4.398 1.00 63.45 C ATOM 2268 CE1 HIS A 134 8.434 23.351 5.091 1.00 53.11 C ATOM 2269 NE2 HIS A 134 9.252 23.618 4.097 1.00 52.12 N ATOM 2270 OXT HIS A 134 11.539 19.133 3.987 1.00 37.16 O ATOM 0 H HIS A 134 13.182 20.244 7.487 1.00 62.10 H new ATOM 0 HA HIS A 134 10.580 19.830 6.234 1.00 43.51 H new ATOM 0 HB2 HIS A 134 11.186 21.896 7.508 1.00 2.24 H new ATOM 0 HB3 HIS A 134 12.412 22.262 6.310 1.00 2.24 H new ATOM 0 HD2 HIS A 134 11.375 23.179 3.779 1.00 63.45 H new ATOM 0 HE1 HIS A 134 7.390 23.625 5.138 1.00 53.11 H new ATOM 0 HE2 HIS A 134 9.005 24.118 3.243 1.00 52.12 H new TER 2279 HIS A 134