USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 934 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 45 ASN : amide:sc= 3.08 K(o=4.2,f=-2) USER MOD Set 1.2: A 86 SER OG : rot 103:sc= 1.13 USER MOD Set 2.1: A 76 ASN : amide:sc= -0.334 K(o=0.53,f=-4.3!) USER MOD Set 2.2: A 80 LYS NZ :NH3+ -150:sc= 0.862 (180deg=0.693) USER MOD Set 3.1: A 44 ASN : amide:sc= 1.78 K(o=2.4,f=-2) USER MOD Set 3.2: A 48 ASN : amide:sc= 0.631 K(o=2.4,f=-0.64!) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0716) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -162:sc= 1.3 (180deg=1.14) USER MOD Single : A 13 GLN : amide:sc= 0.937 K(o=0.94,f=0) USER MOD Single : A 14 GLN : amide:sc= -0.0287 K(o=-0.029,f=-0.97) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -162:sc= -0.0797 (180deg=-0.417) USER MOD Single : A 28 SER OG : rot 67:sc= 1.24 USER MOD Single : A 29 GLN :FLIP amide:sc= -0.0627 F(o=-0.73,f=-0.063) USER MOD Single : A 31 MET CE :methyl -171:sc= 0 (180deg=-0.0579) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0927 USER MOD Single : A 35 ASN : amide:sc= -0.0238 K(o=-0.024,f=-1.8!) USER MOD Single : A 38 GLN : amide:sc= 0.364 K(o=0.36,f=-5.5!) USER MOD Single : A 39 CYS SG : rot 46:sc= 0.2 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 55:sc= -0.0298 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0517) USER MOD Single : A 79 SER OG : rot -86:sc= 1.2 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= 1.23 K(o=1.2,f=-7.7!) USER MOD Single : A 88 ASN : amide:sc= -0.0426 X(o=-0.043,f=-0.26) USER MOD Single : A 89 ASN : amide:sc= -0.84 K(o=-0.84,f=-2.3!) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=-0.0066) USER MOD Single : A 103 LYS NZ :NH3+ 162:sc= -0.0446 (180deg=-0.358) USER MOD Single : A 104 HIS : no HE2:sc= -0.0357 K(o=-0.036,f=-0.81) USER MOD Single : A 105 GLN :FLIP amide:sc= 0 F(o=-0.88,f=0) USER MOD Single : A 106 LYS NZ :NH3+ -162:sc= -0.0321 (180deg=-0.258) USER MOD Single : A 107 SER OG : rot 180:sc= -0.201 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 2.070 17.259 8.010 1.00 0.00 N ATOM 2 CA LYS A 1 1.813 16.335 9.139 1.00 0.00 C ATOM 3 C LYS A 1 1.854 14.876 8.697 1.00 0.00 C ATOM 4 O LYS A 1 2.538 14.058 9.310 1.00 0.00 O ATOM 5 CB LYS A 1 0.477 16.651 9.825 1.00 0.00 C ATOM 6 CG LYS A 1 0.116 15.684 10.944 1.00 0.00 C ATOM 7 CD LYS A 1 -1.210 16.047 11.594 1.00 0.00 C ATOM 8 CE LYS A 1 -1.700 14.936 12.515 1.00 0.00 C ATOM 9 NZ LYS A 1 -0.711 14.611 13.578 1.00 0.00 N ATOM 0 H1 LYS A 1 2.034 18.241 8.350 1.00 0.00 H new ATOM 0 H2 LYS A 1 3.010 17.065 7.610 1.00 0.00 H new ATOM 0 H3 LYS A 1 1.346 17.120 7.276 1.00 0.00 H new ATOM 0 HA LYS A 1 2.614 16.487 9.862 1.00 0.00 H new ATOM 0 HB2 LYS A 1 0.518 17.662 10.230 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -0.316 16.639 9.077 1.00 0.00 H new ATOM 0 HG2 LYS A 1 0.061 14.671 10.546 1.00 0.00 H new ATOM 0 HG3 LYS A 1 0.904 15.688 11.697 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -1.098 16.970 12.163 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -1.956 16.237 10.822 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -2.641 15.237 12.976 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -1.905 14.042 11.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -1.120 13.912 14.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 0.149 14.219 13.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -0.470 15.475 14.104 1.00 0.00 H new ATOM 25 N VAL A 2 1.124 14.547 7.633 1.00 0.00 N ATOM 26 CA VAL A 2 1.083 13.177 7.131 1.00 0.00 C ATOM 27 C VAL A 2 2.153 12.938 6.072 1.00 0.00 C ATOM 28 O VAL A 2 2.199 11.875 5.461 1.00 0.00 O ATOM 29 CB VAL A 2 -0.305 12.820 6.557 1.00 0.00 C ATOM 30 CG1 VAL A 2 -1.355 12.843 7.657 1.00 0.00 C ATOM 31 CG2 VAL A 2 -0.690 13.770 5.429 1.00 0.00 C ATOM 0 H VAL A 2 0.555 15.208 7.104 1.00 0.00 H new ATOM 0 HA VAL A 2 1.282 12.528 7.983 1.00 0.00 H new ATOM 0 HB VAL A 2 -0.254 11.812 6.146 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -2.328 12.589 7.236 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -1.092 12.117 8.426 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.399 13.839 8.098 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.672 13.497 5.042 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -0.721 14.791 5.808 1.00 0.00 H new ATOM 0 HG23 VAL A 2 0.047 13.702 4.629 1.00 0.00 H new ATOM 41 N LYS A 3 3.023 13.936 5.892 1.00 0.00 N ATOM 42 CA LYS A 3 4.104 13.875 4.910 1.00 0.00 C ATOM 43 C LYS A 3 3.584 13.817 3.473 1.00 0.00 C ATOM 44 O LYS A 3 2.374 13.771 3.238 1.00 0.00 O ATOM 45 CB LYS A 3 5.067 12.717 5.207 1.00 0.00 C ATOM 46 CG LYS A 3 5.788 12.845 6.540 1.00 0.00 C ATOM 47 CD LYS A 3 6.158 11.485 7.106 1.00 0.00 C ATOM 48 CE LYS A 3 6.754 11.607 8.501 1.00 0.00 C ATOM 49 NZ LYS A 3 6.844 10.296 9.195 1.00 0.00 N ATOM 0 H LYS A 3 2.996 14.806 6.423 1.00 0.00 H new ATOM 0 HA LYS A 3 4.665 14.805 5.002 1.00 0.00 H new ATOM 0 HB2 LYS A 3 4.509 11.781 5.195 1.00 0.00 H new ATOM 0 HB3 LYS A 3 5.807 12.658 4.409 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.689 13.444 6.411 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.152 13.375 7.249 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.272 10.851 7.141 1.00 0.00 H new ATOM 0 HD3 LYS A 3 6.873 10.996 6.445 1.00 0.00 H new ATOM 0 HE2 LYS A 3 7.749 12.047 8.431 1.00 0.00 H new ATOM 0 HE3 LYS A 3 6.145 12.289 9.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 7.256 10.431 10.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.893 9.886 9.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 7.447 9.652 8.644 1.00 0.00 H new ATOM 63 N PHE A 4 4.516 13.886 2.525 1.00 0.00 N ATOM 64 CA PHE A 4 4.216 13.836 1.091 1.00 0.00 C ATOM 65 C PHE A 4 3.411 15.037 0.610 1.00 0.00 C ATOM 66 O PHE A 4 2.986 15.883 1.399 1.00 0.00 O ATOM 67 CB PHE A 4 3.559 12.515 0.665 1.00 0.00 C ATOM 68 CG PHE A 4 4.257 11.839 -0.490 1.00 0.00 C ATOM 69 CD1 PHE A 4 4.499 12.520 -1.672 1.00 0.00 C ATOM 70 CD2 PHE A 4 4.676 10.526 -0.391 1.00 0.00 C ATOM 71 CE1 PHE A 4 5.143 11.904 -2.727 1.00 0.00 C ATOM 72 CE2 PHE A 4 5.322 9.902 -1.441 1.00 0.00 C ATOM 73 CZ PHE A 4 5.556 10.593 -2.611 1.00 0.00 C ATOM 0 H PHE A 4 5.511 13.979 2.730 1.00 0.00 H new ATOM 0 HA PHE A 4 5.185 13.885 0.594 1.00 0.00 H new ATOM 0 HB2 PHE A 4 3.543 11.835 1.517 1.00 0.00 H new ATOM 0 HB3 PHE A 4 2.522 12.707 0.390 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.180 13.547 -1.770 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.496 9.978 0.522 1.00 0.00 H new ATOM 0 HE1 PHE A 4 5.323 12.448 -3.642 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.643 8.875 -1.345 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.061 10.109 -3.434 1.00 0.00 H new ATOM 83 N THR A 5 3.233 15.108 -0.701 1.00 0.00 N ATOM 84 CA THR A 5 2.499 16.178 -1.347 1.00 0.00 C ATOM 85 C THR A 5 2.573 15.962 -2.860 1.00 0.00 C ATOM 86 O THR A 5 3.402 15.181 -3.334 1.00 0.00 O ATOM 87 CB THR A 5 3.082 17.564 -0.984 1.00 0.00 C ATOM 88 OG1 THR A 5 2.174 18.599 -1.377 1.00 0.00 O ATOM 89 CG2 THR A 5 4.431 17.792 -1.652 1.00 0.00 C ATOM 0 H THR A 5 3.600 14.413 -1.351 1.00 0.00 H new ATOM 0 HA THR A 5 1.464 16.159 -1.004 1.00 0.00 H new ATOM 0 HB THR A 5 3.224 17.591 0.096 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.551 19.472 -1.141 1.00 0.00 H new ATOM 0 HG21 THR A 5 4.812 18.775 -1.376 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.133 17.025 -1.325 1.00 0.00 H new ATOM 0 HG23 THR A 5 4.315 17.739 -2.734 1.00 0.00 H new ATOM 97 N GLU A 6 1.720 16.654 -3.605 1.00 0.00 N ATOM 98 CA GLU A 6 1.686 16.520 -5.062 1.00 0.00 C ATOM 99 C GLU A 6 3.012 16.921 -5.706 1.00 0.00 C ATOM 100 O GLU A 6 3.424 16.335 -6.708 1.00 0.00 O ATOM 101 CB GLU A 6 0.536 17.336 -5.644 1.00 0.00 C ATOM 102 CG GLU A 6 -0.836 16.825 -5.239 1.00 0.00 C ATOM 103 CD GLU A 6 -1.834 17.943 -5.047 1.00 0.00 C ATOM 104 OE1 GLU A 6 -1.919 18.482 -3.926 1.00 0.00 O ATOM 105 OE2 GLU A 6 -2.540 18.288 -6.018 1.00 0.00 O ATOM 0 H GLU A 6 1.041 17.315 -3.227 1.00 0.00 H new ATOM 0 HA GLU A 6 1.523 15.467 -5.290 1.00 0.00 H new ATOM 0 HB2 GLU A 6 0.638 18.373 -5.323 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.611 17.330 -6.731 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -1.205 16.139 -6.002 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -0.750 16.256 -4.314 1.00 0.00 H new ATOM 112 N GLU A 7 3.677 17.919 -5.129 1.00 0.00 N ATOM 113 CA GLU A 7 4.960 18.384 -5.639 1.00 0.00 C ATOM 114 C GLU A 7 5.992 17.265 -5.638 1.00 0.00 C ATOM 115 O GLU A 7 6.731 17.087 -6.610 1.00 0.00 O ATOM 116 CB GLU A 7 5.477 19.558 -4.809 1.00 0.00 C ATOM 117 CG GLU A 7 4.731 20.860 -5.036 1.00 0.00 C ATOM 118 CD GLU A 7 5.330 22.011 -4.260 1.00 0.00 C ATOM 119 OE1 GLU A 7 6.546 21.969 -3.969 1.00 0.00 O ATOM 120 OE2 GLU A 7 4.588 22.961 -3.936 1.00 0.00 O ATOM 0 H GLU A 7 3.345 18.421 -4.305 1.00 0.00 H new ATOM 0 HA GLU A 7 4.804 18.713 -6.667 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.414 19.296 -3.753 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.532 19.713 -5.037 1.00 0.00 H new ATOM 0 HG2 GLU A 7 4.739 21.099 -6.099 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.688 20.733 -4.745 1.00 0.00 H new ATOM 127 N GLU A 8 6.039 16.511 -4.549 1.00 0.00 N ATOM 128 CA GLU A 8 6.986 15.417 -4.431 1.00 0.00 C ATOM 129 C GLU A 8 6.652 14.283 -5.387 1.00 0.00 C ATOM 130 O GLU A 8 7.539 13.559 -5.824 1.00 0.00 O ATOM 131 CB GLU A 8 7.105 14.919 -2.991 1.00 0.00 C ATOM 132 CG GLU A 8 8.257 15.550 -2.228 1.00 0.00 C ATOM 133 CD GLU A 8 7.990 16.993 -1.848 1.00 0.00 C ATOM 134 OE1 GLU A 8 8.306 17.899 -2.653 1.00 0.00 O ATOM 135 OE2 GLU A 8 7.466 17.225 -0.742 1.00 0.00 O ATOM 0 H GLU A 8 5.434 16.638 -3.738 1.00 0.00 H new ATOM 0 HA GLU A 8 7.963 15.808 -4.716 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.173 15.126 -2.465 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.233 13.837 -2.998 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.449 14.971 -1.325 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.160 15.500 -2.836 1.00 0.00 H new ATOM 142 N ASP A 9 5.369 14.132 -5.703 1.00 0.00 N ATOM 143 CA ASP A 9 4.927 13.097 -6.637 1.00 0.00 C ATOM 144 C ASP A 9 5.570 13.339 -7.990 1.00 0.00 C ATOM 145 O ASP A 9 6.097 12.423 -8.628 1.00 0.00 O ATOM 146 CB ASP A 9 3.407 13.141 -6.798 1.00 0.00 C ATOM 147 CG ASP A 9 2.674 12.307 -5.770 1.00 0.00 C ATOM 148 OD1 ASP A 9 3.212 11.266 -5.350 1.00 0.00 O ATOM 149 OD2 ASP A 9 1.543 12.686 -5.393 1.00 0.00 O ATOM 0 H ASP A 9 4.618 14.711 -5.328 1.00 0.00 H new ATOM 0 HA ASP A 9 5.219 12.122 -6.247 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.070 14.175 -6.724 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.144 12.790 -7.796 1.00 0.00 H new ATOM 154 N LEU A 10 5.539 14.597 -8.412 1.00 0.00 N ATOM 155 CA LEU A 10 6.126 14.999 -9.680 1.00 0.00 C ATOM 156 C LEU A 10 7.638 14.814 -9.635 1.00 0.00 C ATOM 157 O LEU A 10 8.249 14.333 -10.593 1.00 0.00 O ATOM 158 CB LEU A 10 5.783 16.461 -9.976 1.00 0.00 C ATOM 159 CG LEU A 10 4.298 16.828 -9.922 1.00 0.00 C ATOM 160 CD1 LEU A 10 4.115 18.337 -9.996 1.00 0.00 C ATOM 161 CD2 LEU A 10 3.532 16.137 -11.039 1.00 0.00 C ATOM 0 H LEU A 10 5.110 15.360 -7.889 1.00 0.00 H new ATOM 0 HA LEU A 10 5.717 14.374 -10.474 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.318 17.090 -9.264 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.162 16.708 -10.968 1.00 0.00 H new ATOM 0 HG LEU A 10 3.895 16.482 -8.970 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.053 18.577 -9.956 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.625 18.807 -9.155 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.536 18.709 -10.930 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.479 16.412 -10.982 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.936 16.447 -12.003 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.631 15.057 -10.934 1.00 0.00 H new ATOM 173 N LYS A 11 8.231 15.186 -8.503 1.00 0.00 N ATOM 174 CA LYS A 11 9.670 15.056 -8.306 1.00 0.00 C ATOM 175 C LYS A 11 10.078 13.590 -8.320 1.00 0.00 C ATOM 176 O LYS A 11 11.105 13.231 -8.889 1.00 0.00 O ATOM 177 CB LYS A 11 10.094 15.682 -6.977 1.00 0.00 C ATOM 178 CG LYS A 11 9.902 17.185 -6.887 1.00 0.00 C ATOM 179 CD LYS A 11 10.178 17.679 -5.478 1.00 0.00 C ATOM 180 CE LYS A 11 9.830 19.148 -5.321 1.00 0.00 C ATOM 181 NZ LYS A 11 9.910 19.585 -3.904 1.00 0.00 N ATOM 0 H LYS A 11 7.733 15.582 -7.706 1.00 0.00 H new ATOM 0 HA LYS A 11 10.167 15.580 -9.123 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.529 15.210 -6.173 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.146 15.454 -6.804 1.00 0.00 H new ATOM 0 HG2 LYS A 11 10.569 17.684 -7.590 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.883 17.444 -7.175 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.600 17.090 -4.766 1.00 0.00 H new ATOM 0 HD3 LYS A 11 11.230 17.526 -5.238 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.509 19.749 -5.926 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.824 19.326 -5.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.387 20.476 -3.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.494 18.855 -3.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.906 19.730 -3.641 1.00 0.00 H new ATOM 195 N LEU A 12 9.259 12.750 -7.693 1.00 0.00 N ATOM 196 CA LEU A 12 9.521 11.320 -7.624 1.00 0.00 C ATOM 197 C LEU A 12 9.708 10.742 -9.018 1.00 0.00 C ATOM 198 O LEU A 12 10.678 10.037 -9.275 1.00 0.00 O ATOM 199 CB LEU A 12 8.387 10.591 -6.891 1.00 0.00 C ATOM 200 CG LEU A 12 8.686 9.161 -6.434 1.00 0.00 C ATOM 201 CD1 LEU A 12 9.828 9.143 -5.428 1.00 0.00 C ATOM 202 CD2 LEU A 12 7.442 8.521 -5.842 1.00 0.00 C ATOM 0 H LEU A 12 8.402 13.041 -7.223 1.00 0.00 H new ATOM 0 HA LEU A 12 10.443 11.173 -7.061 1.00 0.00 H new ATOM 0 HB2 LEU A 12 8.111 11.179 -6.016 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.516 10.566 -7.546 1.00 0.00 H new ATOM 0 HG LEU A 12 8.992 8.581 -7.305 1.00 0.00 H new ATOM 0 HD11 LEU A 12 10.023 8.117 -5.117 1.00 0.00 H new ATOM 0 HD12 LEU A 12 10.724 9.559 -5.888 1.00 0.00 H new ATOM 0 HD13 LEU A 12 9.556 9.740 -4.558 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.673 7.505 -5.522 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.106 9.104 -4.984 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.653 8.495 -6.594 1.00 0.00 H new ATOM 214 N GLN A 13 8.783 11.064 -9.916 1.00 0.00 N ATOM 215 CA GLN A 13 8.854 10.596 -11.298 1.00 0.00 C ATOM 216 C GLN A 13 10.186 10.992 -11.943 1.00 0.00 C ATOM 217 O GLN A 13 10.777 10.221 -12.696 1.00 0.00 O ATOM 218 CB GLN A 13 7.670 11.143 -12.110 1.00 0.00 C ATOM 219 CG GLN A 13 7.810 11.023 -13.624 1.00 0.00 C ATOM 220 CD GLN A 13 7.706 9.595 -14.130 1.00 0.00 C ATOM 221 OE1 GLN A 13 6.620 9.110 -14.440 1.00 0.00 O ATOM 222 NE2 GLN A 13 8.839 8.916 -14.226 1.00 0.00 N ATOM 0 H GLN A 13 7.973 11.649 -9.712 1.00 0.00 H new ATOM 0 HA GLN A 13 8.796 9.508 -11.294 1.00 0.00 H new ATOM 0 HB2 GLN A 13 6.766 10.618 -11.802 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.531 12.194 -11.856 1.00 0.00 H new ATOM 0 HG2 GLN A 13 7.038 11.626 -14.101 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.771 11.438 -13.926 1.00 0.00 H new ATOM 0 HE21 GLN A 13 9.720 9.354 -13.959 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.830 7.955 -14.567 1.00 0.00 H new ATOM 231 N GLN A 14 10.662 12.189 -11.626 1.00 0.00 N ATOM 232 CA GLN A 14 11.925 12.681 -12.170 1.00 0.00 C ATOM 233 C GLN A 14 13.116 11.984 -11.511 1.00 0.00 C ATOM 234 O GLN A 14 14.050 11.553 -12.189 1.00 0.00 O ATOM 235 CB GLN A 14 12.036 14.196 -11.992 1.00 0.00 C ATOM 236 CG GLN A 14 11.130 15.002 -12.910 1.00 0.00 C ATOM 237 CD GLN A 14 11.601 15.000 -14.352 1.00 0.00 C ATOM 238 OE1 GLN A 14 12.800 14.926 -14.628 1.00 0.00 O ATOM 239 NE2 GLN A 14 10.663 15.085 -15.280 1.00 0.00 N ATOM 0 H GLN A 14 10.194 12.839 -10.995 1.00 0.00 H new ATOM 0 HA GLN A 14 11.940 12.452 -13.236 1.00 0.00 H new ATOM 0 HB2 GLN A 14 11.801 14.447 -10.958 1.00 0.00 H new ATOM 0 HB3 GLN A 14 13.069 14.496 -12.166 1.00 0.00 H new ATOM 0 HG2 GLN A 14 10.119 14.597 -12.862 1.00 0.00 H new ATOM 0 HG3 GLN A 14 11.079 16.030 -12.551 1.00 0.00 H new ATOM 0 HE21 GLN A 14 9.681 15.144 -15.009 1.00 0.00 H new ATOM 0 HE22 GLN A 14 10.921 15.091 -16.267 1.00 0.00 H new ATOM 248 N LEU A 15 13.068 11.867 -10.189 1.00 0.00 N ATOM 249 CA LEU A 15 14.141 11.229 -9.426 1.00 0.00 C ATOM 250 C LEU A 15 14.271 9.746 -9.773 1.00 0.00 C ATOM 251 O LEU A 15 15.373 9.252 -10.014 1.00 0.00 O ATOM 252 CB LEU A 15 13.924 11.412 -7.920 1.00 0.00 C ATOM 253 CG LEU A 15 14.620 12.613 -7.265 1.00 0.00 C ATOM 254 CD1 LEU A 15 14.077 13.927 -7.811 1.00 0.00 C ATOM 255 CD2 LEU A 15 14.469 12.561 -5.755 1.00 0.00 C ATOM 0 H LEU A 15 12.294 12.207 -9.618 1.00 0.00 H new ATOM 0 HA LEU A 15 15.074 11.719 -9.703 1.00 0.00 H new ATOM 0 HB2 LEU A 15 12.853 11.499 -7.739 1.00 0.00 H new ATOM 0 HB3 LEU A 15 14.261 10.507 -7.415 1.00 0.00 H new ATOM 0 HG LEU A 15 15.681 12.559 -7.509 1.00 0.00 H new ATOM 0 HD11 LEU A 15 14.588 14.760 -7.329 1.00 0.00 H new ATOM 0 HD12 LEU A 15 14.246 13.971 -8.887 1.00 0.00 H new ATOM 0 HD13 LEU A 15 13.008 13.991 -7.608 1.00 0.00 H new ATOM 0 HD21 LEU A 15 14.969 13.421 -5.309 1.00 0.00 H new ATOM 0 HD22 LEU A 15 13.411 12.581 -5.494 1.00 0.00 H new ATOM 0 HD23 LEU A 15 14.918 11.643 -5.376 1.00 0.00 H new ATOM 267 N VAL A 16 13.139 9.049 -9.817 1.00 0.00 N ATOM 268 CA VAL A 16 13.131 7.623 -10.136 1.00 0.00 C ATOM 269 C VAL A 16 13.584 7.407 -11.580 1.00 0.00 C ATOM 270 O VAL A 16 14.166 6.385 -11.918 1.00 0.00 O ATOM 271 CB VAL A 16 11.739 6.990 -9.906 1.00 0.00 C ATOM 272 CG1 VAL A 16 11.724 5.526 -10.317 1.00 0.00 C ATOM 273 CG2 VAL A 16 11.333 7.125 -8.446 1.00 0.00 C ATOM 0 H VAL A 16 12.217 9.446 -9.636 1.00 0.00 H new ATOM 0 HA VAL A 16 13.829 7.127 -9.462 1.00 0.00 H new ATOM 0 HB VAL A 16 11.021 7.525 -10.528 1.00 0.00 H new ATOM 0 HG11 VAL A 16 10.732 5.109 -10.143 1.00 0.00 H new ATOM 0 HG12 VAL A 16 11.972 5.443 -11.375 1.00 0.00 H new ATOM 0 HG13 VAL A 16 12.457 4.975 -9.728 1.00 0.00 H new ATOM 0 HG21 VAL A 16 10.351 6.675 -8.298 1.00 0.00 H new ATOM 0 HG22 VAL A 16 12.063 6.617 -7.817 1.00 0.00 H new ATOM 0 HG23 VAL A 16 11.293 8.180 -8.176 1.00 0.00 H new ATOM 283 N MET A 17 13.327 8.395 -12.421 1.00 0.00 N ATOM 284 CA MET A 17 13.723 8.328 -13.821 1.00 0.00 C ATOM 285 C MET A 17 15.242 8.440 -13.944 1.00 0.00 C ATOM 286 O MET A 17 15.862 7.810 -14.802 1.00 0.00 O ATOM 287 CB MET A 17 13.055 9.452 -14.614 1.00 0.00 C ATOM 288 CG MET A 17 13.227 9.350 -16.119 1.00 0.00 C ATOM 289 SD MET A 17 12.443 10.713 -16.998 1.00 0.00 S ATOM 290 CE MET A 17 12.413 10.054 -18.664 1.00 0.00 C ATOM 0 H MET A 17 12.845 9.255 -12.160 1.00 0.00 H new ATOM 0 HA MET A 17 13.403 7.369 -14.228 1.00 0.00 H new ATOM 0 HB2 MET A 17 11.990 9.459 -14.383 1.00 0.00 H new ATOM 0 HB3 MET A 17 13.461 10.407 -14.279 1.00 0.00 H new ATOM 0 HG2 MET A 17 14.290 9.331 -16.359 1.00 0.00 H new ATOM 0 HG3 MET A 17 12.805 8.407 -16.466 1.00 0.00 H new ATOM 0 HE1 MET A 17 11.955 10.781 -19.335 1.00 0.00 H new ATOM 0 HE2 MET A 17 13.432 9.848 -18.992 1.00 0.00 H new ATOM 0 HE3 MET A 17 11.834 9.131 -18.680 1.00 0.00 H new ATOM 300 N ARG A 18 15.830 9.249 -13.072 1.00 0.00 N ATOM 301 CA ARG A 18 17.270 9.471 -13.064 1.00 0.00 C ATOM 302 C ARG A 18 18.035 8.314 -12.429 1.00 0.00 C ATOM 303 O ARG A 18 18.987 7.797 -13.011 1.00 0.00 O ATOM 304 CB ARG A 18 17.589 10.765 -12.311 1.00 0.00 C ATOM 305 CG ARG A 18 17.243 12.034 -13.070 1.00 0.00 C ATOM 306 CD ARG A 18 16.929 13.184 -12.123 1.00 0.00 C ATOM 307 NE ARG A 18 17.965 13.377 -11.103 1.00 0.00 N ATOM 308 CZ ARG A 18 17.824 14.180 -10.045 1.00 0.00 C ATOM 309 NH1 ARG A 18 16.713 14.891 -9.890 1.00 0.00 N ATOM 310 NH2 ARG A 18 18.803 14.289 -9.156 1.00 0.00 N ATOM 0 H ARG A 18 15.325 9.768 -12.353 1.00 0.00 H new ATOM 0 HA ARG A 18 17.591 9.546 -14.103 1.00 0.00 H new ATOM 0 HB2 ARG A 18 17.048 10.763 -11.365 1.00 0.00 H new ATOM 0 HB3 ARG A 18 18.652 10.778 -12.070 1.00 0.00 H new ATOM 0 HG2 ARG A 18 18.076 12.311 -13.716 1.00 0.00 H new ATOM 0 HG3 ARG A 18 16.385 11.850 -13.717 1.00 0.00 H new ATOM 0 HD2 ARG A 18 16.816 14.103 -12.699 1.00 0.00 H new ATOM 0 HD3 ARG A 18 15.974 12.995 -11.633 1.00 0.00 H new ATOM 0 HE ARG A 18 18.843 12.869 -11.208 1.00 0.00 H new ATOM 0 HH11 ARG A 18 15.965 14.825 -10.580 1.00 0.00 H new ATOM 0 HH12 ARG A 18 16.608 15.503 -9.081 1.00 0.00 H new ATOM 0 HH21 ARG A 18 19.666 13.759 -9.280 1.00 0.00 H new ATOM 0 HH22 ARG A 18 18.693 14.903 -8.349 1.00 0.00 H new ATOM 324 N TYR A 19 17.612 7.908 -11.236 1.00 0.00 N ATOM 325 CA TYR A 19 18.289 6.839 -10.504 1.00 0.00 C ATOM 326 C TYR A 19 17.828 5.446 -10.917 1.00 0.00 C ATOM 327 O TYR A 19 18.641 4.538 -11.092 1.00 0.00 O ATOM 328 CB TYR A 19 18.110 7.029 -8.996 1.00 0.00 C ATOM 329 CG TYR A 19 18.678 8.330 -8.480 1.00 0.00 C ATOM 330 CD1 TYR A 19 20.041 8.580 -8.533 1.00 0.00 C ATOM 331 CD2 TYR A 19 17.853 9.313 -7.946 1.00 0.00 C ATOM 332 CE1 TYR A 19 20.568 9.768 -8.069 1.00 0.00 C ATOM 333 CE2 TYR A 19 18.373 10.507 -7.480 1.00 0.00 C ATOM 334 CZ TYR A 19 19.731 10.728 -7.545 1.00 0.00 C ATOM 335 OH TYR A 19 20.256 11.912 -7.081 1.00 0.00 O ATOM 0 H TYR A 19 16.804 8.302 -10.754 1.00 0.00 H new ATOM 0 HA TYR A 19 19.346 6.909 -10.760 1.00 0.00 H new ATOM 0 HB2 TYR A 19 17.048 6.985 -8.756 1.00 0.00 H new ATOM 0 HB3 TYR A 19 18.589 6.200 -8.474 1.00 0.00 H new ATOM 0 HD1 TYR A 19 20.702 7.832 -8.945 1.00 0.00 H new ATOM 0 HD2 TYR A 19 16.788 9.142 -7.894 1.00 0.00 H new ATOM 0 HE1 TYR A 19 21.632 9.944 -8.117 1.00 0.00 H new ATOM 0 HE2 TYR A 19 17.719 11.261 -7.068 1.00 0.00 H new ATOM 0 HH TYR A 19 19.533 12.481 -6.745 1.00 0.00 H new ATOM 345 N GLY A 20 16.531 5.280 -11.083 1.00 0.00 N ATOM 346 CA GLY A 20 15.990 3.988 -11.451 1.00 0.00 C ATOM 347 C GLY A 20 15.002 3.493 -10.419 1.00 0.00 C ATOM 348 O GLY A 20 14.710 4.197 -9.453 1.00 0.00 O ATOM 0 H GLY A 20 15.837 6.018 -10.970 1.00 0.00 H new ATOM 0 HA2 GLY A 20 15.500 4.060 -12.422 1.00 0.00 H new ATOM 0 HA3 GLY A 20 16.801 3.268 -11.556 1.00 0.00 H new ATOM 352 N ALA A 21 14.502 2.282 -10.602 1.00 0.00 N ATOM 353 CA ALA A 21 13.529 1.714 -9.679 1.00 0.00 C ATOM 354 C ALA A 21 14.172 0.729 -8.705 1.00 0.00 C ATOM 355 O ALA A 21 13.557 -0.272 -8.327 1.00 0.00 O ATOM 356 CB ALA A 21 12.397 1.055 -10.452 1.00 0.00 C ATOM 0 H ALA A 21 14.753 1.672 -11.380 1.00 0.00 H new ATOM 0 HA ALA A 21 13.121 2.529 -9.082 1.00 0.00 H new ATOM 0 HB1 ALA A 21 11.675 0.634 -9.752 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.904 1.798 -11.079 1.00 0.00 H new ATOM 0 HB3 ALA A 21 12.800 0.260 -11.080 1.00 0.00 H new ATOM 362 N LYS A 22 15.403 1.012 -8.294 1.00 0.00 N ATOM 363 CA LYS A 22 16.099 0.141 -7.359 1.00 0.00 C ATOM 364 C LYS A 22 16.790 0.919 -6.242 1.00 0.00 C ATOM 365 O LYS A 22 16.625 0.599 -5.066 1.00 0.00 O ATOM 366 CB LYS A 22 17.105 -0.768 -8.067 1.00 0.00 C ATOM 367 CG LYS A 22 17.650 -1.867 -7.169 1.00 0.00 C ATOM 368 CD LYS A 22 18.965 -2.416 -7.689 1.00 0.00 C ATOM 369 CE LYS A 22 19.570 -3.406 -6.707 1.00 0.00 C ATOM 370 NZ LYS A 22 19.888 -2.767 -5.400 1.00 0.00 N ATOM 0 H LYS A 22 15.934 1.830 -8.591 1.00 0.00 H new ATOM 0 HA LYS A 22 15.330 -0.484 -6.904 1.00 0.00 H new ATOM 0 HB2 LYS A 22 16.628 -1.220 -8.936 1.00 0.00 H new ATOM 0 HB3 LYS A 22 17.934 -0.164 -8.437 1.00 0.00 H new ATOM 0 HG2 LYS A 22 17.792 -1.477 -6.161 1.00 0.00 H new ATOM 0 HG3 LYS A 22 16.921 -2.674 -7.099 1.00 0.00 H new ATOM 0 HD2 LYS A 22 18.804 -2.904 -8.650 1.00 0.00 H new ATOM 0 HD3 LYS A 22 19.663 -1.596 -7.860 1.00 0.00 H new ATOM 0 HE2 LYS A 22 18.875 -4.231 -6.548 1.00 0.00 H new ATOM 0 HE3 LYS A 22 20.478 -3.832 -7.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 20.559 -3.364 -4.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 20.312 -1.832 -5.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 19.015 -2.658 -4.845 1.00 0.00 H new ATOM 384 N ASP A 23 17.565 1.933 -6.597 1.00 0.00 N ATOM 385 CA ASP A 23 18.274 2.706 -5.589 1.00 0.00 C ATOM 386 C ASP A 23 17.429 3.838 -5.031 1.00 0.00 C ATOM 387 O ASP A 23 17.490 4.978 -5.498 1.00 0.00 O ATOM 388 CB ASP A 23 19.624 3.230 -6.074 1.00 0.00 C ATOM 389 CG ASP A 23 20.497 3.685 -4.919 1.00 0.00 C ATOM 390 OD1 ASP A 23 20.368 4.849 -4.486 1.00 0.00 O ATOM 391 OD2 ASP A 23 21.312 2.874 -4.432 1.00 0.00 O ATOM 0 H ASP A 23 17.718 2.236 -7.559 1.00 0.00 H new ATOM 0 HA ASP A 23 18.475 2.005 -4.779 1.00 0.00 H new ATOM 0 HB2 ASP A 23 20.138 2.448 -6.633 1.00 0.00 H new ATOM 0 HB3 ASP A 23 19.466 4.062 -6.761 1.00 0.00 H new ATOM 396 N TRP A 24 16.618 3.505 -4.043 1.00 0.00 N ATOM 397 CA TRP A 24 15.776 4.489 -3.390 1.00 0.00 C ATOM 398 C TRP A 24 16.583 5.200 -2.316 1.00 0.00 C ATOM 399 O TRP A 24 16.159 6.213 -1.769 1.00 0.00 O ATOM 400 CB TRP A 24 14.542 3.818 -2.774 1.00 0.00 C ATOM 401 CG TRP A 24 13.890 2.830 -3.691 1.00 0.00 C ATOM 402 CD1 TRP A 24 14.045 1.477 -3.677 1.00 0.00 C ATOM 403 CD2 TRP A 24 12.986 3.119 -4.762 1.00 0.00 C ATOM 404 NE1 TRP A 24 13.306 0.902 -4.678 1.00 0.00 N ATOM 405 CE2 TRP A 24 12.641 1.890 -5.359 1.00 0.00 C ATOM 406 CE3 TRP A 24 12.435 4.297 -5.276 1.00 0.00 C ATOM 407 CZ2 TRP A 24 11.771 1.809 -6.443 1.00 0.00 C ATOM 408 CZ3 TRP A 24 11.571 4.213 -6.350 1.00 0.00 C ATOM 409 CH2 TRP A 24 11.246 2.979 -6.923 1.00 0.00 C ATOM 0 H TRP A 24 16.525 2.558 -3.675 1.00 0.00 H new ATOM 0 HA TRP A 24 15.432 5.215 -4.127 1.00 0.00 H new ATOM 0 HB2 TRP A 24 14.833 3.313 -1.853 1.00 0.00 H new ATOM 0 HB3 TRP A 24 13.817 4.585 -2.502 1.00 0.00 H new ATOM 0 HD1 TRP A 24 14.662 0.934 -2.977 1.00 0.00 H new ATOM 0 HE1 TRP A 24 13.258 -0.096 -4.883 1.00 0.00 H new ATOM 0 HE3 TRP A 24 12.681 5.255 -4.841 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 11.519 0.858 -6.889 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 11.139 5.116 -6.755 1.00 0.00 H new ATOM 0 HH2 TRP A 24 10.566 2.948 -7.762 1.00 0.00 H new ATOM 420 N ILE A 25 17.772 4.666 -2.048 1.00 0.00 N ATOM 421 CA ILE A 25 18.671 5.223 -1.044 1.00 0.00 C ATOM 422 C ILE A 25 19.076 6.639 -1.425 1.00 0.00 C ATOM 423 O ILE A 25 19.078 7.544 -0.592 1.00 0.00 O ATOM 424 CB ILE A 25 19.938 4.356 -0.887 1.00 0.00 C ATOM 425 CG1 ILE A 25 19.550 2.883 -0.708 1.00 0.00 C ATOM 426 CG2 ILE A 25 20.772 4.834 0.293 1.00 0.00 C ATOM 427 CD1 ILE A 25 20.715 1.919 -0.784 1.00 0.00 C ATOM 0 H ILE A 25 18.137 3.838 -2.519 1.00 0.00 H new ATOM 0 HA ILE A 25 18.137 5.238 -0.094 1.00 0.00 H new ATOM 0 HB ILE A 25 20.540 4.453 -1.791 1.00 0.00 H new ATOM 0 HG12 ILE A 25 19.057 2.764 0.257 1.00 0.00 H new ATOM 0 HG13 ILE A 25 18.821 2.616 -1.473 1.00 0.00 H new ATOM 0 HG21 ILE A 25 21.661 4.210 0.387 1.00 0.00 H new ATOM 0 HG22 ILE A 25 21.071 5.870 0.131 1.00 0.00 H new ATOM 0 HG23 ILE A 25 20.182 4.765 1.207 1.00 0.00 H new ATOM 0 HD11 ILE A 25 20.353 0.900 -0.647 1.00 0.00 H new ATOM 0 HD12 ILE A 25 21.196 2.006 -1.758 1.00 0.00 H new ATOM 0 HD13 ILE A 25 21.435 2.156 -0.001 1.00 0.00 H new ATOM 439 N ARG A 26 19.390 6.832 -2.699 1.00 0.00 N ATOM 440 CA ARG A 26 19.785 8.141 -3.194 1.00 0.00 C ATOM 441 C ARG A 26 18.625 9.128 -3.095 1.00 0.00 C ATOM 442 O ARG A 26 18.829 10.335 -2.979 1.00 0.00 O ATOM 443 CB ARG A 26 20.314 8.047 -4.627 1.00 0.00 C ATOM 444 CG ARG A 26 21.817 8.269 -4.762 1.00 0.00 C ATOM 445 CD ARG A 26 22.602 7.646 -3.615 1.00 0.00 C ATOM 446 NE ARG A 26 22.479 6.187 -3.564 1.00 0.00 N ATOM 447 CZ ARG A 26 23.342 5.394 -2.925 1.00 0.00 C ATOM 448 NH1 ARG A 26 24.381 5.921 -2.284 1.00 0.00 N ATOM 449 NH2 ARG A 26 23.168 4.078 -2.925 1.00 0.00 N ATOM 0 H ARG A 26 19.378 6.098 -3.407 1.00 0.00 H new ATOM 0 HA ARG A 26 20.595 8.513 -2.567 1.00 0.00 H new ATOM 0 HB2 ARG A 26 20.067 7.064 -5.028 1.00 0.00 H new ATOM 0 HB3 ARG A 26 19.794 8.782 -5.242 1.00 0.00 H new ATOM 0 HG2 ARG A 26 22.161 7.846 -5.706 1.00 0.00 H new ATOM 0 HG3 ARG A 26 22.021 9.339 -4.799 1.00 0.00 H new ATOM 0 HD2 ARG A 26 23.654 7.913 -3.714 1.00 0.00 H new ATOM 0 HD3 ARG A 26 22.254 8.068 -2.672 1.00 0.00 H new ATOM 0 HE ARG A 26 21.690 5.753 -4.043 1.00 0.00 H new ATOM 0 HH11 ARG A 26 24.519 6.932 -2.280 1.00 0.00 H new ATOM 0 HH12 ARG A 26 25.040 5.315 -1.796 1.00 0.00 H new ATOM 0 HH21 ARG A 26 22.372 3.669 -3.415 1.00 0.00 H new ATOM 0 HH22 ARG A 26 23.830 3.476 -2.435 1.00 0.00 H new ATOM 463 N ILE A 27 17.402 8.606 -3.126 1.00 0.00 N ATOM 464 CA ILE A 27 16.212 9.434 -3.011 1.00 0.00 C ATOM 465 C ILE A 27 15.943 9.706 -1.532 1.00 0.00 C ATOM 466 O ILE A 27 15.488 10.789 -1.152 1.00 0.00 O ATOM 467 CB ILE A 27 14.989 8.727 -3.640 1.00 0.00 C ATOM 468 CG1 ILE A 27 15.300 8.325 -5.085 1.00 0.00 C ATOM 469 CG2 ILE A 27 13.756 9.619 -3.581 1.00 0.00 C ATOM 470 CD1 ILE A 27 14.252 7.438 -5.720 1.00 0.00 C ATOM 0 H ILE A 27 17.212 7.609 -3.230 1.00 0.00 H new ATOM 0 HA ILE A 27 16.376 10.371 -3.543 1.00 0.00 H new ATOM 0 HB ILE A 27 14.776 7.826 -3.065 1.00 0.00 H new ATOM 0 HG12 ILE A 27 15.409 9.228 -5.686 1.00 0.00 H new ATOM 0 HG13 ILE A 27 16.260 7.809 -5.108 1.00 0.00 H new ATOM 0 HG21 ILE A 27 12.909 9.099 -4.030 1.00 0.00 H new ATOM 0 HG22 ILE A 27 13.527 9.856 -2.542 1.00 0.00 H new ATOM 0 HG23 ILE A 27 13.948 10.541 -4.129 1.00 0.00 H new ATOM 0 HD11 ILE A 27 14.548 7.199 -6.742 1.00 0.00 H new ATOM 0 HD12 ILE A 27 14.158 6.517 -5.145 1.00 0.00 H new ATOM 0 HD13 ILE A 27 13.294 7.958 -5.732 1.00 0.00 H new ATOM 482 N SER A 28 16.271 8.718 -0.702 1.00 0.00 N ATOM 483 CA SER A 28 16.095 8.818 0.743 1.00 0.00 C ATOM 484 C SER A 28 17.011 9.894 1.329 1.00 0.00 C ATOM 485 O SER A 28 16.852 10.306 2.478 1.00 0.00 O ATOM 486 CB SER A 28 16.357 7.467 1.413 1.00 0.00 C ATOM 487 OG SER A 28 15.575 6.442 0.821 1.00 0.00 O ATOM 0 H SER A 28 16.665 7.829 -1.012 1.00 0.00 H new ATOM 0 HA SER A 28 15.062 9.105 0.940 1.00 0.00 H new ATOM 0 HB2 SER A 28 17.414 7.216 1.330 1.00 0.00 H new ATOM 0 HB3 SER A 28 16.128 7.535 2.477 1.00 0.00 H new ATOM 0 HG SER A 28 15.875 6.293 -0.100 1.00 0.00 H new ATOM 493 N GLN A 29 17.979 10.336 0.528 1.00 0.00 N ATOM 494 CA GLN A 29 18.898 11.384 0.948 1.00 0.00 C ATOM 495 C GLN A 29 18.115 12.673 1.156 1.00 0.00 C ATOM 496 O GLN A 29 18.432 13.476 2.032 1.00 0.00 O ATOM 497 CB GLN A 29 19.984 11.599 -0.104 1.00 0.00 C ATOM 498 CG GLN A 29 20.990 10.464 -0.202 1.00 0.00 C ATOM 499 CD GLN A 29 21.967 10.653 -1.344 1.00 0.00 C ATOM 500 OE1 GLN A 29 21.482 11.169 -2.463 1.00 0.00 O flip ATOM 501 NE2 GLN A 29 23.141 10.318 -1.230 1.00 0.00 N flip ATOM 0 H GLN A 29 18.144 9.983 -0.414 1.00 0.00 H new ATOM 0 HA GLN A 29 19.380 11.087 1.880 1.00 0.00 H new ATOM 0 HB2 GLN A 29 19.510 11.735 -1.076 1.00 0.00 H new ATOM 0 HB3 GLN A 29 20.516 12.523 0.123 1.00 0.00 H new ATOM 0 HG2 GLN A 29 21.541 10.389 0.735 1.00 0.00 H new ATOM 0 HG3 GLN A 29 20.458 9.522 -0.335 1.00 0.00 H new ATOM 0 HE21 GLN A 29 23.476 9.924 -0.351 1.00 0.00 H new ATOM 0 HE22 GLN A 29 23.783 10.433 -2.014 1.00 0.00 H new ATOM 510 N LEU A 30 17.082 12.850 0.345 1.00 0.00 N ATOM 511 CA LEU A 30 16.225 14.016 0.442 1.00 0.00 C ATOM 512 C LEU A 30 15.019 13.659 1.297 1.00 0.00 C ATOM 513 O LEU A 30 14.615 14.414 2.182 1.00 0.00 O ATOM 514 CB LEU A 30 15.772 14.461 -0.948 1.00 0.00 C ATOM 515 CG LEU A 30 16.874 14.899 -1.915 1.00 0.00 C ATOM 516 CD1 LEU A 30 16.302 15.140 -3.303 1.00 0.00 C ATOM 517 CD2 LEU A 30 17.576 16.148 -1.403 1.00 0.00 C ATOM 0 H LEU A 30 16.818 12.195 -0.391 1.00 0.00 H new ATOM 0 HA LEU A 30 16.774 14.840 0.898 1.00 0.00 H new ATOM 0 HB2 LEU A 30 15.221 13.640 -1.407 1.00 0.00 H new ATOM 0 HB3 LEU A 30 15.072 15.288 -0.831 1.00 0.00 H new ATOM 0 HG LEU A 30 17.609 14.097 -1.979 1.00 0.00 H new ATOM 0 HD11 LEU A 30 17.101 15.451 -3.977 1.00 0.00 H new ATOM 0 HD12 LEU A 30 15.851 14.220 -3.675 1.00 0.00 H new ATOM 0 HD13 LEU A 30 15.544 15.922 -3.254 1.00 0.00 H new ATOM 0 HD21 LEU A 30 18.356 16.441 -2.106 1.00 0.00 H new ATOM 0 HD22 LEU A 30 16.853 16.957 -1.305 1.00 0.00 H new ATOM 0 HD23 LEU A 30 18.023 15.941 -0.431 1.00 0.00 H new ATOM 529 N MET A 31 14.460 12.484 1.030 1.00 0.00 N ATOM 530 CA MET A 31 13.316 11.986 1.773 1.00 0.00 C ATOM 531 C MET A 31 13.813 11.124 2.924 1.00 0.00 C ATOM 532 O MET A 31 13.934 9.907 2.800 1.00 0.00 O ATOM 533 CB MET A 31 12.402 11.175 0.852 1.00 0.00 C ATOM 534 CG MET A 31 11.983 11.921 -0.405 1.00 0.00 C ATOM 535 SD MET A 31 10.845 10.974 -1.432 1.00 0.00 S ATOM 536 CE MET A 31 10.539 12.140 -2.759 1.00 0.00 C ATOM 0 H MET A 31 14.787 11.856 0.296 1.00 0.00 H new ATOM 0 HA MET A 31 12.742 12.823 2.170 1.00 0.00 H new ATOM 0 HB2 MET A 31 12.913 10.256 0.565 1.00 0.00 H new ATOM 0 HB3 MET A 31 11.509 10.884 1.405 1.00 0.00 H new ATOM 0 HG2 MET A 31 11.513 12.863 -0.123 1.00 0.00 H new ATOM 0 HG3 MET A 31 12.870 12.169 -0.987 1.00 0.00 H new ATOM 0 HE1 MET A 31 9.733 11.768 -3.392 1.00 0.00 H new ATOM 0 HE2 MET A 31 10.254 13.104 -2.338 1.00 0.00 H new ATOM 0 HE3 MET A 31 11.444 12.258 -3.356 1.00 0.00 H new ATOM 546 N ILE A 32 14.093 11.764 4.049 1.00 0.00 N ATOM 547 CA ILE A 32 14.624 11.061 5.209 1.00 0.00 C ATOM 548 C ILE A 32 13.514 10.661 6.177 1.00 0.00 C ATOM 549 O ILE A 32 13.630 9.671 6.905 1.00 0.00 O ATOM 550 CB ILE A 32 15.711 11.896 5.931 1.00 0.00 C ATOM 551 CG1 ILE A 32 16.411 11.074 7.015 1.00 0.00 C ATOM 552 CG2 ILE A 32 15.137 13.187 6.501 1.00 0.00 C ATOM 553 CD1 ILE A 32 17.703 11.686 7.511 1.00 0.00 C ATOM 0 H ILE A 32 13.962 12.766 4.184 1.00 0.00 H new ATOM 0 HA ILE A 32 15.093 10.148 4.843 1.00 0.00 H new ATOM 0 HB ILE A 32 16.459 12.172 5.188 1.00 0.00 H new ATOM 0 HG12 ILE A 32 15.732 10.950 7.859 1.00 0.00 H new ATOM 0 HG13 ILE A 32 16.619 10.078 6.624 1.00 0.00 H new ATOM 0 HG21 ILE A 32 15.927 13.747 7.000 1.00 0.00 H new ATOM 0 HG22 ILE A 32 14.721 13.788 5.693 1.00 0.00 H new ATOM 0 HG23 ILE A 32 14.351 12.950 7.218 1.00 0.00 H new ATOM 0 HD11 ILE A 32 18.139 11.045 8.277 1.00 0.00 H new ATOM 0 HD12 ILE A 32 18.402 11.784 6.680 1.00 0.00 H new ATOM 0 HD13 ILE A 32 17.501 12.670 7.933 1.00 0.00 H new ATOM 565 N THR A 33 12.425 11.413 6.149 1.00 0.00 N ATOM 566 CA THR A 33 11.286 11.155 7.017 1.00 0.00 C ATOM 567 C THR A 33 10.308 10.193 6.348 1.00 0.00 C ATOM 568 O THR A 33 9.150 10.084 6.749 1.00 0.00 O ATOM 569 CB THR A 33 10.559 12.477 7.330 1.00 0.00 C ATOM 570 OG1 THR A 33 11.150 13.538 6.555 1.00 0.00 O ATOM 571 CG2 THR A 33 10.667 12.813 8.810 1.00 0.00 C ATOM 0 H THR A 33 12.305 12.214 5.529 1.00 0.00 H new ATOM 0 HA THR A 33 11.652 10.706 7.940 1.00 0.00 H new ATOM 0 HB THR A 33 9.505 12.367 7.074 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.689 14.381 6.750 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.147 13.750 9.009 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.215 12.015 9.398 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.717 12.915 9.084 1.00 0.00 H new ATOM 579 N ARG A 34 10.783 9.507 5.320 1.00 0.00 N ATOM 580 CA ARG A 34 9.956 8.568 4.582 1.00 0.00 C ATOM 581 C ARG A 34 10.680 7.245 4.374 1.00 0.00 C ATOM 582 O ARG A 34 11.869 7.225 4.048 1.00 0.00 O ATOM 583 CB ARG A 34 9.603 9.190 3.229 1.00 0.00 C ATOM 584 CG ARG A 34 8.911 8.261 2.247 1.00 0.00 C ATOM 585 CD ARG A 34 8.443 9.035 1.024 1.00 0.00 C ATOM 586 NE ARG A 34 7.508 10.090 1.400 1.00 0.00 N ATOM 587 CZ ARG A 34 7.769 11.395 1.312 1.00 0.00 C ATOM 588 NH1 ARG A 34 8.896 11.820 0.759 1.00 0.00 N ATOM 589 NH2 ARG A 34 6.889 12.274 1.765 1.00 0.00 N ATOM 0 H ARG A 34 11.741 9.584 4.978 1.00 0.00 H new ATOM 0 HA ARG A 34 9.050 8.363 5.152 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.960 10.053 3.401 1.00 0.00 H new ATOM 0 HB3 ARG A 34 10.519 9.561 2.769 1.00 0.00 H new ATOM 0 HG2 ARG A 34 9.594 7.468 1.944 1.00 0.00 H new ATOM 0 HG3 ARG A 34 8.059 7.781 2.729 1.00 0.00 H new ATOM 0 HD2 ARG A 34 9.302 9.470 0.514 1.00 0.00 H new ATOM 0 HD3 ARG A 34 7.965 8.355 0.319 1.00 0.00 H new ATOM 0 HE ARG A 34 6.593 9.811 1.754 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.572 11.147 0.397 1.00 0.00 H new ATOM 0 HH12 ARG A 34 9.088 12.820 0.696 1.00 0.00 H new ATOM 0 HH21 ARG A 34 6.014 11.953 2.180 1.00 0.00 H new ATOM 0 HH22 ARG A 34 7.086 13.273 1.699 1.00 0.00 H new ATOM 603 N ASN A 35 9.969 6.148 4.612 1.00 0.00 N ATOM 604 CA ASN A 35 10.503 4.805 4.418 1.00 0.00 C ATOM 605 C ASN A 35 10.974 4.664 2.971 1.00 0.00 C ATOM 606 O ASN A 35 10.205 4.929 2.045 1.00 0.00 O ATOM 607 CB ASN A 35 9.370 3.791 4.675 1.00 0.00 C ATOM 608 CG ASN A 35 9.688 2.725 5.709 1.00 0.00 C ATOM 609 OD1 ASN A 35 10.828 2.287 5.839 1.00 0.00 O ATOM 610 ND2 ASN A 35 8.661 2.286 6.443 1.00 0.00 N ATOM 0 H ASN A 35 9.005 6.165 4.945 1.00 0.00 H new ATOM 0 HA ASN A 35 11.336 4.625 5.098 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.482 4.335 4.996 1.00 0.00 H new ATOM 0 HB3 ASN A 35 9.121 3.301 3.734 1.00 0.00 H new ATOM 0 HD21 ASN A 35 8.809 1.560 7.144 1.00 0.00 H new ATOM 0 HD22 ASN A 35 7.730 2.677 6.303 1.00 0.00 H new ATOM 617 N PRO A 36 12.237 4.258 2.752 1.00 0.00 N ATOM 618 CA PRO A 36 12.798 4.097 1.402 1.00 0.00 C ATOM 619 C PRO A 36 11.913 3.229 0.512 1.00 0.00 C ATOM 620 O PRO A 36 11.677 3.549 -0.652 1.00 0.00 O ATOM 621 CB PRO A 36 14.133 3.393 1.661 1.00 0.00 C ATOM 622 CG PRO A 36 14.513 3.824 3.032 1.00 0.00 C ATOM 623 CD PRO A 36 13.225 3.941 3.799 1.00 0.00 C ATOM 0 HA PRO A 36 12.891 5.049 0.880 1.00 0.00 H new ATOM 0 HB2 PRO A 36 14.031 2.310 1.598 1.00 0.00 H new ATOM 0 HB3 PRO A 36 14.886 3.685 0.929 1.00 0.00 H new ATOM 0 HG2 PRO A 36 15.181 3.100 3.498 1.00 0.00 H new ATOM 0 HG3 PRO A 36 15.042 4.777 3.009 1.00 0.00 H new ATOM 0 HD2 PRO A 36 12.979 3.014 4.317 1.00 0.00 H new ATOM 0 HD3 PRO A 36 13.276 4.725 4.555 1.00 0.00 H new ATOM 631 N ARG A 37 11.408 2.143 1.080 1.00 0.00 N ATOM 632 CA ARG A 37 10.547 1.224 0.348 1.00 0.00 C ATOM 633 C ARG A 37 9.187 1.851 0.079 1.00 0.00 C ATOM 634 O ARG A 37 8.506 1.488 -0.876 1.00 0.00 O ATOM 635 CB ARG A 37 10.370 -0.073 1.133 1.00 0.00 C ATOM 636 CG ARG A 37 11.661 -0.835 1.391 1.00 0.00 C ATOM 637 CD ARG A 37 11.456 -1.923 2.434 1.00 0.00 C ATOM 638 NE ARG A 37 11.185 -1.373 3.768 1.00 0.00 N ATOM 639 CZ ARG A 37 9.991 -1.393 4.359 1.00 0.00 C ATOM 640 NH1 ARG A 37 8.944 -1.921 3.735 1.00 0.00 N ATOM 641 NH2 ARG A 37 9.846 -0.887 5.578 1.00 0.00 N ATOM 0 H ARG A 37 11.580 1.876 2.049 1.00 0.00 H new ATOM 0 HA ARG A 37 11.023 1.004 -0.607 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.901 0.157 2.090 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.683 -0.721 0.589 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.016 -1.280 0.462 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.433 -0.144 1.729 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.626 -2.561 2.131 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.344 -2.554 2.477 1.00 0.00 H new ATOM 0 HE ARG A 37 11.961 -0.948 4.275 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.052 -2.313 2.800 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.032 -1.934 4.191 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.648 -0.483 6.061 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.932 -0.902 6.031 1.00 0.00 H new ATOM 655 N GLN A 38 8.813 2.817 0.905 1.00 0.00 N ATOM 656 CA GLN A 38 7.527 3.485 0.757 1.00 0.00 C ATOM 657 C GLN A 38 7.541 4.434 -0.426 1.00 0.00 C ATOM 658 O GLN A 38 6.496 4.723 -1.011 1.00 0.00 O ATOM 659 CB GLN A 38 7.076 4.161 2.048 1.00 0.00 C ATOM 660 CG GLN A 38 6.050 3.344 2.822 1.00 0.00 C ATOM 661 CD GLN A 38 6.455 1.884 2.987 1.00 0.00 C ATOM 662 OE1 GLN A 38 7.623 1.566 3.220 1.00 0.00 O ATOM 663 NE2 GLN A 38 5.493 0.984 2.866 1.00 0.00 N ATOM 0 H GLN A 38 9.379 3.156 1.683 1.00 0.00 H new ATOM 0 HA GLN A 38 6.779 2.720 0.547 1.00 0.00 H new ATOM 0 HB2 GLN A 38 7.945 4.337 2.682 1.00 0.00 H new ATOM 0 HB3 GLN A 38 6.651 5.137 1.811 1.00 0.00 H new ATOM 0 HG2 GLN A 38 5.907 3.789 3.807 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.091 3.393 2.307 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.537 1.282 2.673 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.707 -0.008 2.966 1.00 0.00 H new ATOM 672 N CYS A 39 8.731 4.919 -0.784 1.00 0.00 N ATOM 673 CA CYS A 39 8.879 5.781 -1.951 1.00 0.00 C ATOM 674 C CYS A 39 8.534 4.958 -3.187 1.00 0.00 C ATOM 675 O CYS A 39 8.038 5.472 -4.187 1.00 0.00 O ATOM 676 CB CYS A 39 10.318 6.288 -2.049 1.00 0.00 C ATOM 677 SG CYS A 39 10.967 7.019 -0.527 1.00 0.00 S ATOM 0 H CYS A 39 9.600 4.729 -0.284 1.00 0.00 H new ATOM 0 HA CYS A 39 8.217 6.643 -1.870 1.00 0.00 H new ATOM 0 HB2 CYS A 39 10.962 5.458 -2.341 1.00 0.00 H new ATOM 0 HB3 CYS A 39 10.374 7.030 -2.845 1.00 0.00 H new ATOM 0 HG CYS A 39 10.672 6.254 0.482 1.00 0.00 H new ATOM 683 N ARG A 40 8.793 3.659 -3.076 1.00 0.00 N ATOM 684 CA ARG A 40 8.501 2.709 -4.135 1.00 0.00 C ATOM 685 C ARG A 40 7.012 2.386 -4.100 1.00 0.00 C ATOM 686 O ARG A 40 6.387 2.175 -5.137 1.00 0.00 O ATOM 687 CB ARG A 40 9.332 1.426 -3.933 1.00 0.00 C ATOM 688 CG ARG A 40 8.611 0.127 -4.275 1.00 0.00 C ATOM 689 CD ARG A 40 9.117 -0.475 -5.577 1.00 0.00 C ATOM 690 NE ARG A 40 10.396 -1.168 -5.403 1.00 0.00 N ATOM 691 CZ ARG A 40 10.517 -2.483 -5.200 1.00 0.00 C ATOM 692 NH1 ARG A 40 9.436 -3.257 -5.138 1.00 0.00 N ATOM 693 NH2 ARG A 40 11.724 -3.027 -5.052 1.00 0.00 N ATOM 0 H ARG A 40 9.212 3.238 -2.247 1.00 0.00 H new ATOM 0 HA ARG A 40 8.761 3.137 -5.103 1.00 0.00 H new ATOM 0 HB2 ARG A 40 10.232 1.495 -4.544 1.00 0.00 H new ATOM 0 HB3 ARG A 40 9.655 1.381 -2.893 1.00 0.00 H new ATOM 0 HG2 ARG A 40 8.750 -0.590 -3.465 1.00 0.00 H new ATOM 0 HG3 ARG A 40 7.540 0.316 -4.354 1.00 0.00 H new ATOM 0 HD2 ARG A 40 8.376 -1.174 -5.965 1.00 0.00 H new ATOM 0 HD3 ARG A 40 9.231 0.314 -6.321 1.00 0.00 H new ATOM 0 HE ARG A 40 11.249 -0.610 -5.439 1.00 0.00 H new ATOM 0 HH11 ARG A 40 8.508 -2.847 -5.246 1.00 0.00 H new ATOM 0 HH12 ARG A 40 9.535 -4.260 -4.983 1.00 0.00 H new ATOM 0 HH21 ARG A 40 12.557 -2.439 -5.094 1.00 0.00 H new ATOM 0 HH22 ARG A 40 11.815 -4.031 -4.897 1.00 0.00 H new ATOM 707 N GLU A 41 6.463 2.367 -2.888 1.00 0.00 N ATOM 708 CA GLU A 41 5.053 2.079 -2.659 1.00 0.00 C ATOM 709 C GLU A 41 4.153 3.084 -3.383 1.00 0.00 C ATOM 710 O GLU A 41 3.169 2.701 -4.014 1.00 0.00 O ATOM 711 CB GLU A 41 4.764 2.082 -1.157 1.00 0.00 C ATOM 712 CG GLU A 41 3.372 1.611 -0.772 1.00 0.00 C ATOM 713 CD GLU A 41 3.004 2.034 0.631 1.00 0.00 C ATOM 714 OE1 GLU A 41 2.641 3.212 0.818 1.00 0.00 O ATOM 715 OE2 GLU A 41 3.088 1.199 1.558 1.00 0.00 O ATOM 0 H GLU A 41 6.988 2.552 -2.034 1.00 0.00 H new ATOM 0 HA GLU A 41 4.833 1.092 -3.065 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.497 1.447 -0.660 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.908 3.093 -0.776 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.644 2.015 -1.476 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.322 0.525 -0.849 1.00 0.00 H new ATOM 722 N ARG A 42 4.506 4.365 -3.314 1.00 0.00 N ATOM 723 CA ARG A 42 3.721 5.400 -3.983 1.00 0.00 C ATOM 724 C ARG A 42 3.891 5.262 -5.493 1.00 0.00 C ATOM 725 O ARG A 42 2.923 5.325 -6.250 1.00 0.00 O ATOM 726 CB ARG A 42 4.164 6.798 -3.526 1.00 0.00 C ATOM 727 CG ARG A 42 3.037 7.821 -3.383 1.00 0.00 C ATOM 728 CD ARG A 42 2.206 7.952 -4.652 1.00 0.00 C ATOM 729 NE ARG A 42 1.606 9.283 -4.790 1.00 0.00 N ATOM 730 CZ ARG A 42 0.293 9.524 -4.773 1.00 0.00 C ATOM 731 NH1 ARG A 42 -0.568 8.529 -4.604 1.00 0.00 N ATOM 732 NH2 ARG A 42 -0.157 10.766 -4.909 1.00 0.00 N ATOM 0 H ARG A 42 5.322 4.709 -2.807 1.00 0.00 H new ATOM 0 HA ARG A 42 2.671 5.275 -3.720 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.673 6.705 -2.567 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.894 7.182 -4.239 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.389 7.530 -2.556 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.462 8.792 -3.129 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.835 7.748 -5.518 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.418 7.199 -4.647 1.00 0.00 H new ATOM 0 HE ARG A 42 2.234 10.078 -4.907 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -0.228 7.575 -4.486 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.570 8.718 -4.592 1.00 0.00 H new ATOM 0 HH21 ARG A 42 0.501 11.537 -5.027 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.160 10.949 -4.896 1.00 0.00 H new ATOM 746 N TRP A 43 5.132 5.055 -5.921 1.00 0.00 N ATOM 747 CA TRP A 43 5.442 4.898 -7.334 1.00 0.00 C ATOM 748 C TRP A 43 4.686 3.708 -7.923 1.00 0.00 C ATOM 749 O TRP A 43 3.971 3.840 -8.915 1.00 0.00 O ATOM 750 CB TRP A 43 6.957 4.706 -7.518 1.00 0.00 C ATOM 751 CG TRP A 43 7.372 4.189 -8.871 1.00 0.00 C ATOM 752 CD1 TRP A 43 7.483 2.879 -9.254 1.00 0.00 C ATOM 753 CD2 TRP A 43 7.759 4.970 -10.010 1.00 0.00 C ATOM 754 NE1 TRP A 43 7.890 2.799 -10.561 1.00 0.00 N ATOM 755 CE2 TRP A 43 8.070 4.068 -11.048 1.00 0.00 C ATOM 756 CE3 TRP A 43 7.865 6.340 -10.255 1.00 0.00 C ATOM 757 CZ2 TRP A 43 8.480 4.494 -12.309 1.00 0.00 C ATOM 758 CZ3 TRP A 43 8.274 6.761 -11.507 1.00 0.00 C ATOM 759 CH2 TRP A 43 8.575 5.843 -12.518 1.00 0.00 C ATOM 0 H TRP A 43 5.942 4.992 -5.304 1.00 0.00 H new ATOM 0 HA TRP A 43 5.128 5.799 -7.861 1.00 0.00 H new ATOM 0 HB2 TRP A 43 7.453 5.660 -7.342 1.00 0.00 H new ATOM 0 HB3 TRP A 43 7.316 4.015 -6.755 1.00 0.00 H new ATOM 0 HD1 TRP A 43 7.279 2.030 -8.618 1.00 0.00 H new ATOM 0 HE1 TRP A 43 8.035 1.936 -11.085 1.00 0.00 H new ATOM 0 HE3 TRP A 43 7.632 7.057 -9.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 8.714 3.787 -13.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 8.363 7.818 -11.708 1.00 0.00 H new ATOM 0 HH2 TRP A 43 8.889 6.207 -13.485 1.00 0.00 H new ATOM 770 N ASN A 44 4.811 2.568 -7.263 1.00 0.00 N ATOM 771 CA ASN A 44 4.196 1.327 -7.721 1.00 0.00 C ATOM 772 C ASN A 44 2.675 1.339 -7.686 1.00 0.00 C ATOM 773 O ASN A 44 2.045 0.542 -8.369 1.00 0.00 O ATOM 774 CB ASN A 44 4.713 0.125 -6.927 1.00 0.00 C ATOM 775 CG ASN A 44 4.593 -1.178 -7.698 1.00 0.00 C ATOM 776 OD1 ASN A 44 5.124 -1.307 -8.804 1.00 0.00 O ATOM 777 ND2 ASN A 44 3.894 -2.151 -7.130 1.00 0.00 N ATOM 0 H ASN A 44 5.340 2.474 -6.396 1.00 0.00 H new ATOM 0 HA ASN A 44 4.490 1.237 -8.767 1.00 0.00 H new ATOM 0 HB2 ASN A 44 5.757 0.291 -6.661 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.156 0.044 -5.994 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.781 -3.044 -7.609 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.470 -2.006 -6.214 1.00 0.00 H new ATOM 784 N ASN A 45 2.074 2.223 -6.899 1.00 0.00 N ATOM 785 CA ASN A 45 0.617 2.258 -6.809 1.00 0.00 C ATOM 786 C ASN A 45 -0.031 3.454 -7.492 1.00 0.00 C ATOM 787 O ASN A 45 -1.248 3.471 -7.658 1.00 0.00 O ATOM 788 CB ASN A 45 0.150 2.192 -5.353 1.00 0.00 C ATOM 789 CG ASN A 45 0.244 0.801 -4.772 1.00 0.00 C ATOM 790 OD1 ASN A 45 -0.674 -0.014 -4.922 1.00 0.00 O ATOM 791 ND2 ASN A 45 1.344 0.526 -4.096 1.00 0.00 N ATOM 0 H ASN A 45 2.559 2.912 -6.325 1.00 0.00 H new ATOM 0 HA ASN A 45 0.288 1.372 -7.352 1.00 0.00 H new ATOM 0 HB2 ASN A 45 0.752 2.874 -4.752 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.882 2.538 -5.291 1.00 0.00 H new ATOM 0 HD21 ASN A 45 1.464 -0.393 -3.670 1.00 0.00 H new ATOM 0 HD22 ASN A 45 2.074 1.232 -4.000 1.00 0.00 H new ATOM 798 N TYR A 46 0.750 4.443 -7.900 1.00 0.00 N ATOM 799 CA TYR A 46 0.163 5.628 -8.526 1.00 0.00 C ATOM 800 C TYR A 46 0.806 6.009 -9.858 1.00 0.00 C ATOM 801 O TYR A 46 0.109 6.368 -10.807 1.00 0.00 O ATOM 802 CB TYR A 46 0.198 6.811 -7.556 1.00 0.00 C ATOM 803 CG TYR A 46 -0.453 8.074 -8.077 1.00 0.00 C ATOM 804 CD1 TYR A 46 -1.826 8.143 -8.281 1.00 0.00 C ATOM 805 CD2 TYR A 46 0.307 9.201 -8.361 1.00 0.00 C ATOM 806 CE1 TYR A 46 -2.422 9.296 -8.754 1.00 0.00 C ATOM 807 CE2 TYR A 46 -0.278 10.360 -8.831 1.00 0.00 C ATOM 808 CZ TYR A 46 -1.642 10.403 -9.027 1.00 0.00 C ATOM 809 OH TYR A 46 -2.230 11.559 -9.498 1.00 0.00 O ATOM 0 H TYR A 46 1.766 4.455 -7.814 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.870 5.368 -8.758 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -0.297 6.519 -6.630 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.237 7.029 -7.308 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.438 7.280 -8.066 1.00 0.00 H new ATOM 0 HD2 TYR A 46 1.376 9.170 -8.211 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -3.490 9.332 -8.909 1.00 0.00 H new ATOM 0 HE2 TYR A 46 0.329 11.227 -9.044 1.00 0.00 H new ATOM 0 HH TYR A 46 -1.542 12.243 -9.638 1.00 0.00 H new ATOM 819 N ILE A 47 2.123 5.929 -9.938 1.00 0.00 N ATOM 820 CA ILE A 47 2.824 6.313 -11.158 1.00 0.00 C ATOM 821 C ILE A 47 3.051 5.116 -12.074 1.00 0.00 C ATOM 822 O ILE A 47 3.123 5.260 -13.296 1.00 0.00 O ATOM 823 CB ILE A 47 4.179 6.987 -10.839 1.00 0.00 C ATOM 824 CG1 ILE A 47 4.014 7.991 -9.689 1.00 0.00 C ATOM 825 CG2 ILE A 47 4.731 7.680 -12.077 1.00 0.00 C ATOM 826 CD1 ILE A 47 5.307 8.628 -9.229 1.00 0.00 C ATOM 0 H ILE A 47 2.727 5.605 -9.182 1.00 0.00 H new ATOM 0 HA ILE A 47 2.187 7.030 -11.675 1.00 0.00 H new ATOM 0 HB ILE A 47 4.888 6.219 -10.530 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.327 8.777 -10.004 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.551 7.483 -8.843 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.685 8.150 -11.836 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.877 6.946 -12.870 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.026 8.441 -12.413 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.101 9.323 -8.415 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.990 7.854 -8.880 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.763 9.167 -10.060 1.00 0.00 H new ATOM 838 N ASN A 48 3.141 3.941 -11.480 1.00 0.00 N ATOM 839 CA ASN A 48 3.377 2.717 -12.232 1.00 0.00 C ATOM 840 C ASN A 48 2.110 2.169 -12.903 1.00 0.00 C ATOM 841 O ASN A 48 2.105 1.950 -14.113 1.00 0.00 O ATOM 842 CB ASN A 48 4.071 1.659 -11.368 1.00 0.00 C ATOM 843 CG ASN A 48 4.821 0.633 -12.191 1.00 0.00 C ATOM 844 OD1 ASN A 48 5.104 0.847 -13.370 1.00 0.00 O ATOM 845 ND2 ASN A 48 5.164 -0.479 -11.571 1.00 0.00 N ATOM 0 H ASN A 48 3.054 3.805 -10.473 1.00 0.00 H new ATOM 0 HA ASN A 48 4.053 2.979 -13.046 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.766 2.151 -10.687 1.00 0.00 H new ATOM 0 HB3 ASN A 48 3.327 1.152 -10.754 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.684 -1.201 -12.070 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.910 -0.617 -10.593 1.00 0.00 H new ATOM 852 N PRO A 49 1.020 1.915 -12.150 1.00 0.00 N ATOM 853 CA PRO A 49 -0.223 1.402 -12.718 1.00 0.00 C ATOM 854 C PRO A 49 -1.231 2.522 -12.962 1.00 0.00 C ATOM 855 O PRO A 49 -0.962 3.692 -12.684 1.00 0.00 O ATOM 856 CB PRO A 49 -0.718 0.503 -11.591 1.00 0.00 C ATOM 857 CG PRO A 49 -0.306 1.217 -10.344 1.00 0.00 C ATOM 858 CD PRO A 49 0.889 2.081 -10.695 1.00 0.00 C ATOM 0 HA PRO A 49 -0.090 0.909 -13.681 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.799 0.369 -11.634 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.271 -0.489 -11.648 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.124 1.828 -9.963 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.049 0.505 -9.560 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.723 3.124 -10.424 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.788 1.754 -10.172 1.00 0.00 H new ATOM 866 N ALA A 50 -2.400 2.159 -13.473 1.00 0.00 N ATOM 867 CA ALA A 50 -3.444 3.133 -13.744 1.00 0.00 C ATOM 868 C ALA A 50 -4.698 2.810 -12.943 1.00 0.00 C ATOM 869 O ALA A 50 -5.688 2.318 -13.489 1.00 0.00 O ATOM 870 CB ALA A 50 -3.749 3.195 -15.231 1.00 0.00 C ATOM 0 H ALA A 50 -2.647 1.198 -13.707 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.087 4.115 -13.433 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.533 3.930 -15.411 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.850 3.483 -15.775 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.083 2.216 -15.575 1.00 0.00 H new ATOM 876 N LEU A 51 -4.635 3.051 -11.639 1.00 0.00 N ATOM 877 CA LEU A 51 -5.760 2.798 -10.744 1.00 0.00 C ATOM 878 C LEU A 51 -6.942 3.735 -11.018 1.00 0.00 C ATOM 879 O LEU A 51 -7.027 4.838 -10.475 1.00 0.00 O ATOM 880 CB LEU A 51 -5.315 2.869 -9.271 1.00 0.00 C ATOM 881 CG LEU A 51 -4.892 4.241 -8.710 1.00 0.00 C ATOM 882 CD1 LEU A 51 -4.761 4.184 -7.194 1.00 0.00 C ATOM 883 CD2 LEU A 51 -3.596 4.734 -9.340 1.00 0.00 C ATOM 0 H LEU A 51 -3.808 3.425 -11.173 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.112 1.786 -10.944 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.133 2.494 -8.656 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.478 2.182 -9.141 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.675 4.954 -8.968 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.462 5.162 -6.818 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.719 3.904 -6.756 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.008 3.444 -6.921 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.332 5.704 -8.918 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.798 4.020 -9.136 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.729 4.831 -10.417 1.00 0.00 H new ATOM 895 N ARG A 52 -7.846 3.292 -11.877 1.00 0.00 N ATOM 896 CA ARG A 52 -9.021 4.077 -12.225 1.00 0.00 C ATOM 897 C ARG A 52 -10.102 3.183 -12.817 1.00 0.00 C ATOM 898 O ARG A 52 -10.143 1.992 -12.521 1.00 0.00 O ATOM 899 CB ARG A 52 -8.651 5.211 -13.191 1.00 0.00 C ATOM 900 CG ARG A 52 -7.952 4.763 -14.464 1.00 0.00 C ATOM 901 CD ARG A 52 -7.355 5.946 -15.207 1.00 0.00 C ATOM 902 NE ARG A 52 -8.356 6.968 -15.514 1.00 0.00 N ATOM 903 CZ ARG A 52 -8.070 8.257 -15.701 1.00 0.00 C ATOM 904 NH1 ARG A 52 -6.819 8.686 -15.589 1.00 0.00 N ATOM 905 NH2 ARG A 52 -9.035 9.118 -15.990 1.00 0.00 N ATOM 0 H ARG A 52 -7.789 2.389 -12.348 1.00 0.00 H new ATOM 0 HA ARG A 52 -9.416 4.530 -11.316 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.559 5.749 -13.462 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.006 5.918 -12.669 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.165 4.050 -14.219 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -8.662 4.245 -15.109 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.560 6.387 -14.605 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -6.898 5.598 -16.133 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.331 6.677 -15.589 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.073 8.029 -15.359 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.603 9.673 -15.733 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.999 8.795 -16.070 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.813 10.103 -16.133 1.00 0.00 H new ATOM 919 N THR A 53 -10.913 3.753 -13.708 1.00 0.00 N ATOM 920 CA THR A 53 -12.022 3.046 -14.362 1.00 0.00 C ATOM 921 C THR A 53 -12.763 2.070 -13.438 1.00 0.00 C ATOM 922 O THR A 53 -13.012 0.921 -13.818 1.00 0.00 O ATOM 923 CB THR A 53 -11.543 2.299 -15.624 1.00 0.00 C ATOM 924 OG1 THR A 53 -10.247 1.729 -15.387 1.00 0.00 O ATOM 925 CG2 THR A 53 -11.464 3.245 -16.812 1.00 0.00 C ATOM 0 H THR A 53 -10.821 4.726 -14.001 1.00 0.00 H new ATOM 0 HA THR A 53 -12.732 3.824 -14.641 1.00 0.00 H new ATOM 0 HB THR A 53 -12.260 1.510 -15.849 1.00 0.00 H new ATOM 0 HG1 THR A 53 -10.279 1.164 -14.587 1.00 0.00 H new ATOM 0 HG21 THR A 53 -11.124 2.697 -17.691 1.00 0.00 H new ATOM 0 HG22 THR A 53 -12.450 3.668 -17.006 1.00 0.00 H new ATOM 0 HG23 THR A 53 -10.761 4.049 -16.591 1.00 0.00 H new ATOM 933 N ASP A 54 -13.108 2.530 -12.231 1.00 0.00 N ATOM 934 CA ASP A 54 -13.819 1.703 -11.245 1.00 0.00 C ATOM 935 C ASP A 54 -12.950 0.546 -10.736 1.00 0.00 C ATOM 936 O ASP A 54 -11.874 0.288 -11.270 1.00 0.00 O ATOM 937 CB ASP A 54 -15.136 1.161 -11.828 1.00 0.00 C ATOM 938 CG ASP A 54 -16.222 2.211 -11.911 1.00 0.00 C ATOM 939 OD1 ASP A 54 -16.243 2.972 -12.901 1.00 0.00 O ATOM 940 OD2 ASP A 54 -17.066 2.275 -10.993 1.00 0.00 O ATOM 0 H ASP A 54 -12.906 3.477 -11.910 1.00 0.00 H new ATOM 0 HA ASP A 54 -14.049 2.347 -10.396 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.948 0.761 -12.824 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -15.486 0.332 -11.212 1.00 0.00 H new ATOM 945 N PRO A 55 -13.379 -0.150 -9.663 1.00 0.00 N ATOM 946 CA PRO A 55 -12.627 -1.292 -9.123 1.00 0.00 C ATOM 947 C PRO A 55 -12.764 -2.526 -10.023 1.00 0.00 C ATOM 948 O PRO A 55 -12.936 -2.404 -11.238 1.00 0.00 O ATOM 949 CB PRO A 55 -13.293 -1.544 -7.765 1.00 0.00 C ATOM 950 CG PRO A 55 -14.685 -1.042 -7.937 1.00 0.00 C ATOM 951 CD PRO A 55 -14.593 0.133 -8.869 1.00 0.00 C ATOM 0 HA PRO A 55 -11.558 -1.093 -9.052 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -13.281 -2.603 -7.507 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -12.776 -1.015 -6.964 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -15.330 -1.817 -8.350 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -15.114 -0.747 -6.979 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -15.477 0.213 -9.502 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -14.506 1.072 -8.323 1.00 0.00 H new ATOM 959 N TRP A 56 -12.709 -3.707 -9.430 1.00 0.00 N ATOM 960 CA TRP A 56 -12.831 -4.940 -10.192 1.00 0.00 C ATOM 961 C TRP A 56 -14.293 -5.365 -10.286 1.00 0.00 C ATOM 962 O TRP A 56 -15.151 -4.820 -9.588 1.00 0.00 O ATOM 963 CB TRP A 56 -11.966 -6.070 -9.610 1.00 0.00 C ATOM 964 CG TRP A 56 -11.323 -5.770 -8.284 1.00 0.00 C ATOM 965 CD1 TRP A 56 -10.260 -4.942 -8.051 1.00 0.00 C ATOM 966 CD2 TRP A 56 -11.686 -6.319 -7.012 1.00 0.00 C ATOM 967 NE1 TRP A 56 -9.951 -4.930 -6.712 1.00 0.00 N ATOM 968 CE2 TRP A 56 -10.810 -5.771 -6.053 1.00 0.00 C ATOM 969 CE3 TRP A 56 -12.671 -7.216 -6.589 1.00 0.00 C ATOM 970 CZ2 TRP A 56 -10.890 -6.094 -4.700 1.00 0.00 C ATOM 971 CZ3 TRP A 56 -12.748 -7.537 -5.248 1.00 0.00 C ATOM 972 CH2 TRP A 56 -11.864 -6.976 -4.318 1.00 0.00 C ATOM 0 H TRP A 56 -12.581 -3.839 -8.427 1.00 0.00 H new ATOM 0 HA TRP A 56 -12.458 -4.742 -11.197 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -12.586 -6.960 -9.501 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -11.183 -6.312 -10.328 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -9.738 -4.378 -8.810 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -9.205 -4.385 -6.280 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -13.360 -7.650 -7.298 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -10.209 -5.665 -3.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -13.503 -8.232 -4.911 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -11.953 -7.245 -3.276 1.00 0.00 H new ATOM 983 N SER A 57 -14.577 -6.315 -11.159 1.00 0.00 N ATOM 984 CA SER A 57 -15.935 -6.802 -11.343 1.00 0.00 C ATOM 985 C SER A 57 -16.215 -7.980 -10.404 1.00 0.00 C ATOM 986 O SER A 57 -15.288 -8.538 -9.812 1.00 0.00 O ATOM 987 CB SER A 57 -16.135 -7.215 -12.802 1.00 0.00 C ATOM 988 OG SER A 57 -15.694 -6.191 -13.679 1.00 0.00 O ATOM 0 H SER A 57 -13.883 -6.767 -11.755 1.00 0.00 H new ATOM 0 HA SER A 57 -16.637 -6.005 -11.100 1.00 0.00 H new ATOM 0 HB2 SER A 57 -15.585 -8.134 -13.003 1.00 0.00 H new ATOM 0 HB3 SER A 57 -17.189 -7.427 -12.984 1.00 0.00 H new ATOM 0 HG SER A 57 -15.829 -6.475 -14.607 1.00 0.00 H new ATOM 994 N PRO A 58 -17.496 -8.368 -10.238 1.00 0.00 N ATOM 995 CA PRO A 58 -17.878 -9.493 -9.373 1.00 0.00 C ATOM 996 C PRO A 58 -17.212 -10.805 -9.794 1.00 0.00 C ATOM 997 O PRO A 58 -17.165 -11.758 -9.022 1.00 0.00 O ATOM 998 CB PRO A 58 -19.396 -9.591 -9.550 1.00 0.00 C ATOM 999 CG PRO A 58 -19.809 -8.235 -10.002 1.00 0.00 C ATOM 1000 CD PRO A 58 -18.677 -7.722 -10.843 1.00 0.00 C ATOM 0 HA PRO A 58 -17.566 -9.329 -8.342 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -19.661 -10.352 -10.284 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -19.887 -9.864 -8.616 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -20.734 -8.279 -10.577 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -19.993 -7.579 -9.152 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -18.795 -7.998 -11.891 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -18.606 -6.635 -10.805 1.00 0.00 H new ATOM 1008 N GLU A 59 -16.687 -10.845 -11.013 1.00 0.00 N ATOM 1009 CA GLU A 59 -16.017 -12.037 -11.516 1.00 0.00 C ATOM 1010 C GLU A 59 -14.684 -12.188 -10.803 1.00 0.00 C ATOM 1011 O GLU A 59 -14.310 -13.280 -10.372 1.00 0.00 O ATOM 1012 CB GLU A 59 -15.792 -11.922 -13.020 1.00 0.00 C ATOM 1013 CG GLU A 59 -16.734 -10.951 -13.708 1.00 0.00 C ATOM 1014 CD GLU A 59 -16.738 -11.122 -15.205 1.00 0.00 C ATOM 1015 OE1 GLU A 59 -15.733 -10.775 -15.850 1.00 0.00 O ATOM 1016 OE2 GLU A 59 -17.754 -11.601 -15.748 1.00 0.00 O ATOM 0 H GLU A 59 -16.713 -10.066 -11.671 1.00 0.00 H new ATOM 0 HA GLU A 59 -16.639 -12.912 -11.327 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -14.764 -11.607 -13.201 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -15.907 -12.907 -13.472 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -17.744 -11.096 -13.325 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -16.443 -9.930 -13.462 1.00 0.00 H new ATOM 1023 N GLU A 60 -13.986 -11.068 -10.660 1.00 0.00 N ATOM 1024 CA GLU A 60 -12.709 -11.050 -9.979 1.00 0.00 C ATOM 1025 C GLU A 60 -12.942 -11.207 -8.488 1.00 0.00 C ATOM 1026 O GLU A 60 -12.173 -11.865 -7.803 1.00 0.00 O ATOM 1027 CB GLU A 60 -11.947 -9.753 -10.264 1.00 0.00 C ATOM 1028 CG GLU A 60 -11.457 -9.619 -11.698 1.00 0.00 C ATOM 1029 CD GLU A 60 -12.372 -8.772 -12.559 1.00 0.00 C ATOM 1030 OE1 GLU A 60 -13.602 -8.834 -12.372 1.00 0.00 O ATOM 1031 OE2 GLU A 60 -11.859 -8.038 -13.432 1.00 0.00 O ATOM 0 H GLU A 60 -14.289 -10.159 -11.010 1.00 0.00 H new ATOM 0 HA GLU A 60 -12.101 -11.876 -10.347 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.594 -8.907 -10.032 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.091 -9.693 -9.592 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.460 -9.180 -11.696 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.367 -10.611 -12.140 1.00 0.00 H new ATOM 1038 N ASP A 61 -14.031 -10.620 -8.007 1.00 0.00 N ATOM 1039 CA ASP A 61 -14.398 -10.694 -6.592 1.00 0.00 C ATOM 1040 C ASP A 61 -14.620 -12.141 -6.157 1.00 0.00 C ATOM 1041 O ASP A 61 -14.136 -12.569 -5.107 1.00 0.00 O ATOM 1042 CB ASP A 61 -15.661 -9.858 -6.343 1.00 0.00 C ATOM 1043 CG ASP A 61 -16.339 -10.126 -5.006 1.00 0.00 C ATOM 1044 OD1 ASP A 61 -15.715 -9.886 -3.954 1.00 0.00 O ATOM 1045 OD2 ASP A 61 -17.521 -10.543 -5.011 1.00 0.00 O ATOM 0 H ASP A 61 -14.682 -10.082 -8.579 1.00 0.00 H new ATOM 0 HA ASP A 61 -13.578 -10.291 -5.998 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -15.399 -8.801 -6.399 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -16.374 -10.052 -7.144 1.00 0.00 H new ATOM 1050 N MET A 62 -15.312 -12.904 -6.992 1.00 0.00 N ATOM 1051 CA MET A 62 -15.605 -14.297 -6.683 1.00 0.00 C ATOM 1052 C MET A 62 -14.392 -15.201 -6.902 1.00 0.00 C ATOM 1053 O MET A 62 -14.214 -16.194 -6.194 1.00 0.00 O ATOM 1054 CB MET A 62 -16.798 -14.794 -7.502 1.00 0.00 C ATOM 1055 CG MET A 62 -18.132 -14.208 -7.070 1.00 0.00 C ATOM 1056 SD MET A 62 -19.452 -14.521 -8.260 1.00 0.00 S ATOM 1057 CE MET A 62 -20.861 -13.843 -7.384 1.00 0.00 C ATOM 0 H MET A 62 -15.680 -12.583 -7.887 1.00 0.00 H new ATOM 0 HA MET A 62 -15.860 -14.345 -5.624 1.00 0.00 H new ATOM 0 HB2 MET A 62 -16.630 -14.554 -8.552 1.00 0.00 H new ATOM 0 HB3 MET A 62 -16.849 -15.880 -7.428 1.00 0.00 H new ATOM 0 HG2 MET A 62 -18.413 -14.628 -6.104 1.00 0.00 H new ATOM 0 HG3 MET A 62 -18.023 -13.133 -6.930 1.00 0.00 H new ATOM 0 HE1 MET A 62 -21.758 -13.961 -7.992 1.00 0.00 H new ATOM 0 HE2 MET A 62 -20.991 -14.371 -6.439 1.00 0.00 H new ATOM 0 HE3 MET A 62 -20.692 -12.784 -7.188 1.00 0.00 H new ATOM 1067 N LEU A 63 -13.552 -14.857 -7.876 1.00 0.00 N ATOM 1068 CA LEU A 63 -12.365 -15.650 -8.173 1.00 0.00 C ATOM 1069 C LEU A 63 -11.235 -15.334 -7.194 1.00 0.00 C ATOM 1070 O LEU A 63 -10.443 -16.210 -6.835 1.00 0.00 O ATOM 1071 CB LEU A 63 -11.906 -15.391 -9.612 1.00 0.00 C ATOM 1072 CG LEU A 63 -10.700 -16.200 -10.098 1.00 0.00 C ATOM 1073 CD1 LEU A 63 -11.019 -17.689 -10.112 1.00 0.00 C ATOM 1074 CD2 LEU A 63 -10.267 -15.729 -11.477 1.00 0.00 C ATOM 0 H LEU A 63 -13.672 -14.037 -8.470 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.623 -16.704 -8.065 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.744 -15.593 -10.279 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.668 -14.332 -9.709 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.875 -16.038 -9.404 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -10.148 -18.244 -10.461 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.278 -18.015 -9.105 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.859 -17.875 -10.781 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.409 -16.314 -11.808 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.089 -15.860 -12.181 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.992 -14.675 -11.432 1.00 0.00 H new ATOM 1086 N LEU A 64 -11.176 -14.081 -6.759 1.00 0.00 N ATOM 1087 CA LEU A 64 -10.153 -13.637 -5.825 1.00 0.00 C ATOM 1088 C LEU A 64 -10.249 -14.400 -4.519 1.00 0.00 C ATOM 1089 O LEU A 64 -9.239 -14.811 -3.970 1.00 0.00 O ATOM 1090 CB LEU A 64 -10.249 -12.131 -5.568 1.00 0.00 C ATOM 1091 CG LEU A 64 -9.081 -11.290 -6.084 1.00 0.00 C ATOM 1092 CD1 LEU A 64 -9.374 -9.805 -5.926 1.00 0.00 C ATOM 1093 CD2 LEU A 64 -7.801 -11.664 -5.355 1.00 0.00 C ATOM 0 H LEU A 64 -11.830 -13.351 -7.042 1.00 0.00 H new ATOM 0 HA LEU A 64 -9.183 -13.842 -6.278 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.167 -11.762 -6.025 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -10.341 -11.970 -4.494 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.949 -11.497 -7.146 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.530 -9.226 -6.300 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.269 -9.548 -6.493 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.534 -9.576 -4.872 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.977 -11.058 -5.732 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.925 -11.484 -4.287 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.582 -12.719 -5.522 1.00 0.00 H new ATOM 1105 N ASP A 65 -11.474 -14.605 -4.047 1.00 0.00 N ATOM 1106 CA ASP A 65 -11.716 -15.333 -2.802 1.00 0.00 C ATOM 1107 C ASP A 65 -11.042 -16.704 -2.823 1.00 0.00 C ATOM 1108 O ASP A 65 -10.507 -17.163 -1.812 1.00 0.00 O ATOM 1109 CB ASP A 65 -13.221 -15.494 -2.566 1.00 0.00 C ATOM 1110 CG ASP A 65 -13.540 -16.381 -1.379 1.00 0.00 C ATOM 1111 OD1 ASP A 65 -13.580 -15.871 -0.238 1.00 0.00 O ATOM 1112 OD2 ASP A 65 -13.755 -17.593 -1.576 1.00 0.00 O ATOM 0 H ASP A 65 -12.321 -14.276 -4.510 1.00 0.00 H new ATOM 0 HA ASP A 65 -11.285 -14.754 -1.986 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -13.666 -14.512 -2.409 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -13.681 -15.913 -3.461 1.00 0.00 H new ATOM 1117 N GLN A 66 -11.054 -17.337 -3.989 1.00 0.00 N ATOM 1118 CA GLN A 66 -10.453 -18.652 -4.162 1.00 0.00 C ATOM 1119 C GLN A 66 -8.929 -18.566 -4.104 1.00 0.00 C ATOM 1120 O GLN A 66 -8.286 -19.255 -3.314 1.00 0.00 O ATOM 1121 CB GLN A 66 -10.893 -19.247 -5.501 1.00 0.00 C ATOM 1122 CG GLN A 66 -10.557 -20.717 -5.687 1.00 0.00 C ATOM 1123 CD GLN A 66 -10.965 -21.230 -7.053 1.00 0.00 C ATOM 1124 OE1 GLN A 66 -10.170 -21.235 -7.994 1.00 0.00 O ATOM 1125 NE2 GLN A 66 -12.209 -21.662 -7.175 1.00 0.00 N ATOM 0 H GLN A 66 -11.477 -16.956 -4.835 1.00 0.00 H new ATOM 0 HA GLN A 66 -10.789 -19.297 -3.350 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -11.971 -19.120 -5.602 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.428 -18.678 -6.306 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -9.485 -20.863 -5.551 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -11.058 -21.303 -4.916 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -12.837 -21.642 -6.372 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -12.540 -22.016 -8.073 1.00 0.00 H new ATOM 1134 N LYS A 67 -8.358 -17.691 -4.929 1.00 0.00 N ATOM 1135 CA LYS A 67 -6.908 -17.513 -4.986 1.00 0.00 C ATOM 1136 C LYS A 67 -6.359 -16.969 -3.668 1.00 0.00 C ATOM 1137 O LYS A 67 -5.236 -17.282 -3.268 1.00 0.00 O ATOM 1138 CB LYS A 67 -6.530 -16.569 -6.132 1.00 0.00 C ATOM 1139 CG LYS A 67 -7.112 -16.954 -7.485 1.00 0.00 C ATOM 1140 CD LYS A 67 -6.437 -18.193 -8.055 1.00 0.00 C ATOM 1141 CE LYS A 67 -7.102 -18.631 -9.351 1.00 0.00 C ATOM 1142 NZ LYS A 67 -6.341 -19.706 -10.033 1.00 0.00 N ATOM 0 H LYS A 67 -8.879 -17.092 -5.569 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.464 -18.492 -5.163 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.863 -15.562 -5.881 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.444 -16.535 -6.214 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.182 -17.137 -7.383 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.996 -16.123 -8.181 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.382 -17.986 -8.236 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.483 -19.003 -7.327 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.112 -18.981 -9.139 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.195 -17.774 -10.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.830 -19.974 -10.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.385 -19.365 -10.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.274 -20.534 -9.408 1.00 0.00 H new ATOM 1156 N TYR A 68 -7.178 -16.186 -2.985 1.00 0.00 N ATOM 1157 CA TYR A 68 -6.800 -15.573 -1.719 1.00 0.00 C ATOM 1158 C TYR A 68 -6.765 -16.613 -0.610 1.00 0.00 C ATOM 1159 O TYR A 68 -5.987 -16.500 0.333 1.00 0.00 O ATOM 1160 CB TYR A 68 -7.799 -14.460 -1.372 1.00 0.00 C ATOM 1161 CG TYR A 68 -7.605 -13.809 -0.021 1.00 0.00 C ATOM 1162 CD1 TYR A 68 -6.546 -12.945 0.209 1.00 0.00 C ATOM 1163 CD2 TYR A 68 -8.497 -14.047 1.018 1.00 0.00 C ATOM 1164 CE1 TYR A 68 -6.377 -12.337 1.437 1.00 0.00 C ATOM 1165 CE2 TYR A 68 -8.334 -13.444 2.251 1.00 0.00 C ATOM 1166 CZ TYR A 68 -7.271 -12.589 2.453 1.00 0.00 C ATOM 1167 OH TYR A 68 -7.104 -11.982 3.678 1.00 0.00 O ATOM 0 H TYR A 68 -8.124 -15.957 -3.291 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.802 -15.146 -1.816 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -7.738 -13.689 -2.140 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -8.807 -14.874 -1.415 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -5.842 -12.744 -0.585 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -9.331 -14.714 0.859 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -5.546 -11.666 1.600 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -9.034 -13.641 3.050 1.00 0.00 H new ATOM 0 HH TYR A 68 -7.821 -12.265 4.284 1.00 0.00 H new ATOM 1177 N ALA A 69 -7.592 -17.638 -0.738 1.00 0.00 N ATOM 1178 CA ALA A 69 -7.654 -18.688 0.264 1.00 0.00 C ATOM 1179 C ALA A 69 -6.642 -19.789 -0.022 1.00 0.00 C ATOM 1180 O ALA A 69 -6.406 -20.659 0.819 1.00 0.00 O ATOM 1181 CB ALA A 69 -9.058 -19.264 0.339 1.00 0.00 C ATOM 0 H ALA A 69 -8.229 -17.765 -1.525 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.402 -18.246 1.228 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -9.089 -20.050 1.094 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.761 -18.475 0.607 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.332 -19.681 -0.630 1.00 0.00 H new ATOM 1187 N GLU A 70 -6.026 -19.737 -1.196 1.00 0.00 N ATOM 1188 CA GLU A 70 -5.050 -20.744 -1.589 1.00 0.00 C ATOM 1189 C GLU A 70 -3.624 -20.235 -1.408 1.00 0.00 C ATOM 1190 O GLU A 70 -2.791 -20.898 -0.786 1.00 0.00 O ATOM 1191 CB GLU A 70 -5.277 -21.173 -3.040 1.00 0.00 C ATOM 1192 CG GLU A 70 -6.520 -22.021 -3.239 1.00 0.00 C ATOM 1193 CD GLU A 70 -6.425 -23.355 -2.533 1.00 0.00 C ATOM 1194 OE1 GLU A 70 -6.625 -23.404 -1.301 1.00 0.00 O ATOM 1195 OE2 GLU A 70 -6.139 -24.365 -3.207 1.00 0.00 O ATOM 0 H GLU A 70 -6.185 -19.009 -1.892 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.185 -21.609 -0.939 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.351 -20.283 -3.665 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -4.407 -21.733 -3.384 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.390 -21.478 -2.870 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.677 -22.187 -4.305 1.00 0.00 H new ATOM 1202 N TYR A 71 -3.345 -19.056 -1.949 1.00 0.00 N ATOM 1203 CA TYR A 71 -2.021 -18.462 -1.844 1.00 0.00 C ATOM 1204 C TYR A 71 -1.907 -17.647 -0.563 1.00 0.00 C ATOM 1205 O TYR A 71 -0.841 -17.582 0.051 1.00 0.00 O ATOM 1206 CB TYR A 71 -1.735 -17.565 -3.052 1.00 0.00 C ATOM 1207 CG TYR A 71 -1.584 -18.303 -4.364 1.00 0.00 C ATOM 1208 CD1 TYR A 71 -0.365 -18.853 -4.736 1.00 0.00 C ATOM 1209 CD2 TYR A 71 -2.658 -18.438 -5.237 1.00 0.00 C ATOM 1210 CE1 TYR A 71 -0.220 -19.516 -5.939 1.00 0.00 C ATOM 1211 CE2 TYR A 71 -2.522 -19.101 -6.440 1.00 0.00 C ATOM 1212 CZ TYR A 71 -1.301 -19.637 -6.787 1.00 0.00 C ATOM 1213 OH TYR A 71 -1.159 -20.296 -7.985 1.00 0.00 O ATOM 0 H TYR A 71 -4.020 -18.492 -2.466 1.00 0.00 H new ATOM 0 HA TYR A 71 -1.288 -19.268 -1.822 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -2.543 -16.840 -3.149 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -0.822 -17.001 -2.861 1.00 0.00 H new ATOM 0 HD1 TYR A 71 0.484 -18.761 -4.074 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -3.616 -18.017 -4.969 1.00 0.00 H new ATOM 0 HE1 TYR A 71 0.735 -19.938 -6.214 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.367 -19.199 -7.105 1.00 0.00 H new ATOM 0 HH TYR A 71 -2.014 -20.294 -8.463 1.00 0.00 H new ATOM 1223 N GLY A 72 -3.012 -17.029 -0.173 1.00 0.00 N ATOM 1224 CA GLY A 72 -3.027 -16.218 1.023 1.00 0.00 C ATOM 1225 C GLY A 72 -3.056 -14.744 0.683 1.00 0.00 C ATOM 1226 O GLY A 72 -3.214 -14.383 -0.487 1.00 0.00 O ATOM 0 H GLY A 72 -3.903 -17.076 -0.668 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.898 -16.472 1.627 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.146 -16.438 1.626 1.00 0.00 H new ATOM 1230 N PRO A 73 -2.901 -13.862 1.680 1.00 0.00 N ATOM 1231 CA PRO A 73 -2.903 -12.414 1.459 1.00 0.00 C ATOM 1232 C PRO A 73 -1.581 -11.943 0.853 1.00 0.00 C ATOM 1233 O PRO A 73 -0.837 -11.177 1.462 1.00 0.00 O ATOM 1234 CB PRO A 73 -3.079 -11.853 2.872 1.00 0.00 C ATOM 1235 CG PRO A 73 -2.466 -12.880 3.763 1.00 0.00 C ATOM 1236 CD PRO A 73 -2.708 -14.209 3.101 1.00 0.00 C ATOM 0 HA PRO A 73 -3.676 -12.091 0.762 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.584 -10.888 2.980 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.132 -11.700 3.109 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.399 -12.697 3.891 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.915 -12.852 4.756 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.863 -14.884 3.237 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -3.585 -14.708 3.514 1.00 0.00 H new ATOM 1244 N LYS A 74 -1.289 -12.422 -0.349 1.00 0.00 N ATOM 1245 CA LYS A 74 -0.061 -12.065 -1.037 1.00 0.00 C ATOM 1246 C LYS A 74 -0.355 -11.341 -2.346 1.00 0.00 C ATOM 1247 O LYS A 74 -0.118 -11.870 -3.435 1.00 0.00 O ATOM 1248 CB LYS A 74 0.796 -13.310 -1.279 1.00 0.00 C ATOM 1249 CG LYS A 74 1.184 -14.032 0.003 1.00 0.00 C ATOM 1250 CD LYS A 74 1.755 -15.412 -0.275 1.00 0.00 C ATOM 1251 CE LYS A 74 1.942 -16.192 1.016 1.00 0.00 C ATOM 1252 NZ LYS A 74 2.474 -17.555 0.770 1.00 0.00 N ATOM 0 H LYS A 74 -1.891 -13.062 -0.868 1.00 0.00 H new ATOM 0 HA LYS A 74 0.500 -11.380 -0.401 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.250 -13.998 -1.925 1.00 0.00 H new ATOM 0 HB3 LYS A 74 1.701 -13.021 -1.813 1.00 0.00 H new ATOM 0 HG2 LYS A 74 1.919 -13.438 0.546 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.309 -14.124 0.647 1.00 0.00 H new ATOM 0 HD2 LYS A 74 1.088 -15.959 -0.941 1.00 0.00 H new ATOM 0 HD3 LYS A 74 2.711 -15.317 -0.789 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.623 -15.650 1.672 1.00 0.00 H new ATOM 0 HE3 LYS A 74 0.988 -16.264 1.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 2.586 -18.053 1.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.812 -18.082 0.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 3.397 -17.487 0.296 1.00 0.00 H new ATOM 1266 N TRP A 75 -0.918 -10.144 -2.219 1.00 0.00 N ATOM 1267 CA TRP A 75 -1.253 -9.300 -3.371 1.00 0.00 C ATOM 1268 C TRP A 75 -0.094 -9.167 -4.360 1.00 0.00 C ATOM 1269 O TRP A 75 -0.315 -8.931 -5.548 1.00 0.00 O ATOM 1270 CB TRP A 75 -1.757 -7.929 -2.920 1.00 0.00 C ATOM 1271 CG TRP A 75 -2.846 -8.011 -1.893 1.00 0.00 C ATOM 1272 CD1 TRP A 75 -2.870 -7.395 -0.682 1.00 0.00 C ATOM 1273 CD2 TRP A 75 -4.065 -8.762 -1.984 1.00 0.00 C ATOM 1274 NE1 TRP A 75 -4.020 -7.715 -0.007 1.00 0.00 N ATOM 1275 CE2 TRP A 75 -4.773 -8.549 -0.785 1.00 0.00 C ATOM 1276 CE3 TRP A 75 -4.628 -9.592 -2.960 1.00 0.00 C ATOM 1277 CZ2 TRP A 75 -6.012 -9.136 -0.535 1.00 0.00 C ATOM 1278 CZ3 TRP A 75 -5.858 -10.171 -2.710 1.00 0.00 C ATOM 1279 CH2 TRP A 75 -6.537 -9.940 -1.509 1.00 0.00 C ATOM 0 H TRP A 75 -1.156 -9.728 -1.319 1.00 0.00 H new ATOM 0 HA TRP A 75 -2.060 -9.802 -3.904 1.00 0.00 H new ATOM 0 HB2 TRP A 75 -0.923 -7.358 -2.512 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -2.124 -7.380 -3.787 1.00 0.00 H new ATOM 0 HD1 TRP A 75 -2.094 -6.746 -0.305 1.00 0.00 H new ATOM 0 HE1 TRP A 75 -4.272 -7.384 0.924 1.00 0.00 H new ATOM 0 HE3 TRP A 75 -4.112 -9.777 -3.890 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 -6.538 -8.963 0.392 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 -6.303 -10.813 -3.455 1.00 0.00 H new ATOM 0 HH2 TRP A 75 -7.497 -10.407 -1.347 1.00 0.00 H new ATOM 1290 N ASN A 76 1.132 -9.324 -3.863 1.00 0.00 N ATOM 1291 CA ASN A 76 2.332 -9.264 -4.698 1.00 0.00 C ATOM 1292 C ASN A 76 2.207 -10.251 -5.858 1.00 0.00 C ATOM 1293 O ASN A 76 2.582 -9.954 -6.993 1.00 0.00 O ATOM 1294 CB ASN A 76 3.563 -9.615 -3.850 1.00 0.00 C ATOM 1295 CG ASN A 76 4.870 -9.566 -4.625 1.00 0.00 C ATOM 1296 OD1 ASN A 76 5.170 -10.459 -5.415 1.00 0.00 O ATOM 1297 ND2 ASN A 76 5.668 -8.538 -4.382 1.00 0.00 N ATOM 0 H ASN A 76 1.322 -9.496 -2.876 1.00 0.00 H new ATOM 0 HA ASN A 76 2.442 -8.256 -5.099 1.00 0.00 H new ATOM 0 HB2 ASN A 76 3.623 -8.925 -3.009 1.00 0.00 H new ATOM 0 HB3 ASN A 76 3.434 -10.614 -3.434 1.00 0.00 H new ATOM 0 HD21 ASN A 76 6.568 -8.467 -4.858 1.00 0.00 H new ATOM 0 HD22 ASN A 76 5.383 -7.817 -3.719 1.00 0.00 H new ATOM 1304 N LYS A 77 1.673 -11.426 -5.555 1.00 0.00 N ATOM 1305 CA LYS A 77 1.472 -12.469 -6.555 1.00 0.00 C ATOM 1306 C LYS A 77 0.134 -12.292 -7.264 1.00 0.00 C ATOM 1307 O LYS A 77 0.015 -12.542 -8.461 1.00 0.00 O ATOM 1308 CB LYS A 77 1.522 -13.852 -5.897 1.00 0.00 C ATOM 1309 CG LYS A 77 2.866 -14.552 -5.994 1.00 0.00 C ATOM 1310 CD LYS A 77 3.950 -13.805 -5.234 1.00 0.00 C ATOM 1311 CE LYS A 77 5.194 -14.659 -5.068 1.00 0.00 C ATOM 1312 NZ LYS A 77 5.762 -15.070 -6.375 1.00 0.00 N ATOM 0 H LYS A 77 1.368 -11.684 -4.616 1.00 0.00 H new ATOM 0 HA LYS A 77 2.272 -12.388 -7.290 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.256 -13.749 -4.845 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.763 -14.486 -6.356 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.778 -15.564 -5.599 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.154 -14.642 -7.041 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.204 -12.888 -5.766 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.574 -13.512 -4.254 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.944 -14.103 -4.505 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.950 -15.546 -4.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 6.672 -15.549 -6.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.104 -15.720 -6.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 5.909 -14.229 -6.970 1.00 0.00 H new ATOM 1326 N ILE A 78 -0.866 -11.844 -6.514 1.00 0.00 N ATOM 1327 CA ILE A 78 -2.212 -11.640 -7.052 1.00 0.00 C ATOM 1328 C ILE A 78 -2.227 -10.612 -8.185 1.00 0.00 C ATOM 1329 O ILE A 78 -2.866 -10.825 -9.219 1.00 0.00 O ATOM 1330 CB ILE A 78 -3.209 -11.225 -5.946 1.00 0.00 C ATOM 1331 CG1 ILE A 78 -3.316 -12.315 -4.867 1.00 0.00 C ATOM 1332 CG2 ILE A 78 -4.578 -10.907 -6.529 1.00 0.00 C ATOM 1333 CD1 ILE A 78 -3.746 -13.672 -5.388 1.00 0.00 C ATOM 0 H ILE A 78 -0.772 -11.613 -5.525 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.529 -12.599 -7.462 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.826 -10.318 -5.478 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.349 -12.418 -4.375 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -4.027 -11.989 -4.108 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.257 -10.618 -5.727 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.489 -10.087 -7.241 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -4.970 -11.788 -7.037 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.795 -14.380 -4.561 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.728 -13.589 -5.854 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -3.024 -14.024 -6.125 1.00 0.00 H new ATOM 1345 N SER A 79 -1.501 -9.514 -8.000 1.00 0.00 N ATOM 1346 CA SER A 79 -1.434 -8.450 -9.001 1.00 0.00 C ATOM 1347 C SER A 79 -0.792 -8.935 -10.299 1.00 0.00 C ATOM 1348 O SER A 79 -0.906 -8.294 -11.344 1.00 0.00 O ATOM 1349 CB SER A 79 -0.663 -7.250 -8.445 1.00 0.00 C ATOM 1350 OG SER A 79 0.508 -7.667 -7.765 1.00 0.00 O ATOM 0 H SER A 79 -0.947 -9.336 -7.162 1.00 0.00 H new ATOM 0 HA SER A 79 -2.455 -8.146 -9.231 1.00 0.00 H new ATOM 0 HB2 SER A 79 -0.394 -6.577 -9.260 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.302 -6.687 -7.764 1.00 0.00 H new ATOM 0 HG SER A 79 0.286 -7.886 -6.836 1.00 0.00 H new ATOM 1356 N LYS A 80 -0.123 -10.076 -10.230 1.00 0.00 N ATOM 1357 CA LYS A 80 0.524 -10.643 -11.398 1.00 0.00 C ATOM 1358 C LYS A 80 -0.482 -11.401 -12.252 1.00 0.00 C ATOM 1359 O LYS A 80 -0.368 -11.432 -13.475 1.00 0.00 O ATOM 1360 CB LYS A 80 1.709 -11.524 -10.998 1.00 0.00 C ATOM 1361 CG LYS A 80 2.823 -10.746 -10.316 1.00 0.00 C ATOM 1362 CD LYS A 80 4.070 -11.591 -10.130 1.00 0.00 C ATOM 1363 CE LYS A 80 5.228 -10.752 -9.614 1.00 0.00 C ATOM 1364 NZ LYS A 80 5.055 -10.378 -8.184 1.00 0.00 N ATOM 0 H LYS A 80 -0.015 -10.625 -9.377 1.00 0.00 H new ATOM 0 HA LYS A 80 0.921 -9.827 -12.002 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.360 -12.311 -10.329 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.107 -12.014 -11.887 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.067 -9.865 -10.909 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.477 -10.391 -9.345 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.863 -12.401 -9.430 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.345 -12.052 -11.078 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.158 -11.307 -9.733 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.317 -9.848 -10.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.517 -9.464 -8.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.041 -10.302 -7.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.486 -11.107 -7.580 1.00 0.00 H new ATOM 1378 N PHE A 81 -1.492 -11.980 -11.610 1.00 0.00 N ATOM 1379 CA PHE A 81 -2.527 -12.716 -12.326 1.00 0.00 C ATOM 1380 C PHE A 81 -3.600 -11.751 -12.819 1.00 0.00 C ATOM 1381 O PHE A 81 -4.283 -12.013 -13.811 1.00 0.00 O ATOM 1382 CB PHE A 81 -3.161 -13.783 -11.427 1.00 0.00 C ATOM 1383 CG PHE A 81 -2.188 -14.789 -10.878 1.00 0.00 C ATOM 1384 CD1 PHE A 81 -1.471 -15.619 -11.725 1.00 0.00 C ATOM 1385 CD2 PHE A 81 -1.991 -14.904 -9.511 1.00 0.00 C ATOM 1386 CE1 PHE A 81 -0.577 -16.544 -11.222 1.00 0.00 C ATOM 1387 CE2 PHE A 81 -1.099 -15.828 -9.001 1.00 0.00 C ATOM 1388 CZ PHE A 81 -0.390 -16.650 -9.856 1.00 0.00 C ATOM 0 H PHE A 81 -1.615 -11.954 -10.598 1.00 0.00 H new ATOM 0 HA PHE A 81 -2.067 -13.215 -13.179 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -3.662 -13.289 -10.595 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.928 -14.310 -11.994 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -1.613 -15.542 -12.793 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -2.541 -14.264 -8.837 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -0.025 -17.184 -11.895 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.956 -15.908 -7.933 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.308 -17.373 -9.459 1.00 0.00 H new ATOM 1398 N LEU A 82 -3.727 -10.626 -12.127 1.00 0.00 N ATOM 1399 CA LEU A 82 -4.709 -9.611 -12.476 1.00 0.00 C ATOM 1400 C LEU A 82 -3.991 -8.368 -12.983 1.00 0.00 C ATOM 1401 O LEU A 82 -3.660 -7.466 -12.210 1.00 0.00 O ATOM 1402 CB LEU A 82 -5.598 -9.261 -11.275 1.00 0.00 C ATOM 1403 CG LEU A 82 -6.784 -10.195 -10.994 1.00 0.00 C ATOM 1404 CD1 LEU A 82 -7.582 -10.465 -12.262 1.00 0.00 C ATOM 1405 CD2 LEU A 82 -6.330 -11.493 -10.341 1.00 0.00 C ATOM 0 H LEU A 82 -3.156 -10.394 -11.314 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.355 -10.006 -13.261 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.970 -9.233 -10.385 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.987 -8.254 -11.423 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.441 -9.688 -10.288 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.415 -11.129 -12.033 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -7.966 -9.525 -12.658 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.937 -10.935 -13.005 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.195 -12.130 -10.157 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.634 -12.009 -11.002 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.835 -11.271 -9.396 1.00 0.00 H new ATOM 1417 N LYS A 83 -3.741 -8.343 -14.284 1.00 0.00 N ATOM 1418 CA LYS A 83 -3.040 -7.238 -14.927 1.00 0.00 C ATOM 1419 C LYS A 83 -3.882 -5.961 -14.949 1.00 0.00 C ATOM 1420 O LYS A 83 -4.542 -5.661 -15.946 1.00 0.00 O ATOM 1421 CB LYS A 83 -2.637 -7.651 -16.349 1.00 0.00 C ATOM 1422 CG LYS A 83 -1.768 -6.654 -17.098 1.00 0.00 C ATOM 1423 CD LYS A 83 -1.283 -7.255 -18.406 1.00 0.00 C ATOM 1424 CE LYS A 83 -0.700 -6.203 -19.332 1.00 0.00 C ATOM 1425 NZ LYS A 83 -0.084 -6.820 -20.538 1.00 0.00 N ATOM 0 H LYS A 83 -4.018 -9.087 -14.924 1.00 0.00 H new ATOM 0 HA LYS A 83 -2.146 -7.014 -14.345 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -2.106 -8.601 -16.296 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -3.543 -7.824 -16.929 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -2.335 -5.744 -17.296 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.915 -6.370 -16.482 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -0.529 -8.014 -18.199 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -2.112 -7.757 -18.904 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -1.484 -5.510 -19.637 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.050 -5.621 -18.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.305 -6.074 -21.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.680 -7.463 -20.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -0.806 -7.355 -21.061 1.00 0.00 H new ATOM 1439 N ASN A 84 -3.863 -5.229 -13.834 1.00 0.00 N ATOM 1440 CA ASN A 84 -4.613 -3.975 -13.723 1.00 0.00 C ATOM 1441 C ASN A 84 -4.441 -3.293 -12.367 1.00 0.00 C ATOM 1442 O ASN A 84 -4.308 -2.073 -12.296 1.00 0.00 O ATOM 1443 CB ASN A 84 -6.104 -4.196 -14.007 1.00 0.00 C ATOM 1444 CG ASN A 84 -6.828 -2.912 -14.372 1.00 0.00 C ATOM 1445 OD1 ASN A 84 -7.405 -2.246 -13.513 1.00 0.00 O ATOM 1446 ND2 ASN A 84 -6.806 -2.555 -15.647 1.00 0.00 N ATOM 0 H ASN A 84 -3.338 -5.481 -12.997 1.00 0.00 H new ATOM 0 HA ASN A 84 -4.194 -3.309 -14.477 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -6.212 -4.913 -14.821 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -6.575 -4.637 -13.129 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -7.278 -1.702 -15.946 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.317 -3.133 -16.330 1.00 0.00 H new ATOM 1453 N ARG A 85 -4.443 -4.074 -11.289 1.00 0.00 N ATOM 1454 CA ARG A 85 -4.325 -3.509 -9.946 1.00 0.00 C ATOM 1455 C ARG A 85 -2.995 -3.835 -9.278 1.00 0.00 C ATOM 1456 O ARG A 85 -2.381 -4.864 -9.559 1.00 0.00 O ATOM 1457 CB ARG A 85 -5.488 -3.970 -9.066 1.00 0.00 C ATOM 1458 CG ARG A 85 -6.855 -3.566 -9.586 1.00 0.00 C ATOM 1459 CD ARG A 85 -6.981 -2.056 -9.702 1.00 0.00 C ATOM 1460 NE ARG A 85 -7.720 -1.670 -10.898 1.00 0.00 N ATOM 1461 CZ ARG A 85 -8.778 -0.867 -10.906 1.00 0.00 C ATOM 1462 NH1 ARG A 85 -9.214 -0.303 -9.783 1.00 0.00 N ATOM 1463 NH2 ARG A 85 -9.393 -0.614 -12.050 1.00 0.00 N ATOM 0 H ARG A 85 -4.524 -5.090 -11.317 1.00 0.00 H new ATOM 0 HA ARG A 85 -4.363 -2.426 -10.060 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -5.452 -5.056 -8.974 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -5.356 -3.561 -8.064 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -7.024 -4.023 -10.561 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -7.627 -3.947 -8.917 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -7.486 -1.663 -8.819 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -5.988 -1.608 -9.727 1.00 0.00 H new ATOM 0 HE ARG A 85 -7.402 -2.043 -11.792 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -8.735 -0.485 -8.901 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -10.028 0.312 -9.804 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -9.054 -1.034 -12.915 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -10.206 0.001 -12.067 1.00 0.00 H new ATOM 1477 N SER A 86 -2.567 -2.947 -8.388 1.00 0.00 N ATOM 1478 CA SER A 86 -1.310 -3.108 -7.669 1.00 0.00 C ATOM 1479 C SER A 86 -1.532 -3.477 -6.197 1.00 0.00 C ATOM 1480 O SER A 86 -2.664 -3.506 -5.718 1.00 0.00 O ATOM 1481 CB SER A 86 -0.497 -1.818 -7.777 1.00 0.00 C ATOM 1482 OG SER A 86 -1.320 -0.687 -7.539 1.00 0.00 O ATOM 0 H SER A 86 -3.079 -2.099 -8.146 1.00 0.00 H new ATOM 0 HA SER A 86 -0.761 -3.932 -8.126 1.00 0.00 H new ATOM 0 HB2 SER A 86 0.322 -1.837 -7.058 1.00 0.00 H new ATOM 0 HB3 SER A 86 -0.049 -1.746 -8.768 1.00 0.00 H new ATOM 0 HG SER A 86 -1.161 -0.352 -6.632 1.00 0.00 H new ATOM 1488 N ASP A 87 -0.422 -3.742 -5.509 1.00 0.00 N ATOM 1489 CA ASP A 87 -0.386 -4.141 -4.090 1.00 0.00 C ATOM 1490 C ASP A 87 -1.353 -3.396 -3.152 1.00 0.00 C ATOM 1491 O ASP A 87 -2.466 -3.874 -2.905 1.00 0.00 O ATOM 1492 CB ASP A 87 1.045 -4.064 -3.560 1.00 0.00 C ATOM 1493 CG ASP A 87 1.722 -2.749 -3.893 1.00 0.00 C ATOM 1494 OD1 ASP A 87 2.257 -2.613 -5.017 1.00 0.00 O ATOM 1495 OD2 ASP A 87 1.688 -1.836 -3.044 1.00 0.00 O ATOM 0 H ASP A 87 0.506 -3.685 -5.929 1.00 0.00 H new ATOM 0 HA ASP A 87 -0.749 -5.169 -4.082 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.035 -4.199 -2.478 1.00 0.00 H new ATOM 0 HB3 ASP A 87 1.628 -4.884 -3.979 1.00 0.00 H new ATOM 1500 N ASN A 88 -0.925 -2.247 -2.611 1.00 0.00 N ATOM 1501 CA ASN A 88 -1.754 -1.471 -1.679 1.00 0.00 C ATOM 1502 C ASN A 88 -3.114 -1.113 -2.266 1.00 0.00 C ATOM 1503 O ASN A 88 -4.071 -0.872 -1.528 1.00 0.00 O ATOM 1504 CB ASN A 88 -1.034 -0.228 -1.112 1.00 0.00 C ATOM 1505 CG ASN A 88 -0.683 -0.368 0.371 1.00 0.00 C ATOM 1506 OD1 ASN A 88 -0.260 -1.432 0.820 1.00 0.00 O ATOM 1507 ND2 ASN A 88 -0.858 0.703 1.152 1.00 0.00 N ATOM 0 H ASN A 88 -0.012 -1.835 -2.802 1.00 0.00 H new ATOM 0 HA ASN A 88 -1.933 -2.134 -0.833 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -0.121 -0.052 -1.681 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -1.669 0.647 -1.249 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -0.639 0.650 2.147 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -1.210 1.573 0.753 1.00 0.00 H new ATOM 1514 N ASN A 89 -3.207 -1.088 -3.595 1.00 0.00 N ATOM 1515 CA ASN A 89 -4.468 -0.789 -4.258 1.00 0.00 C ATOM 1516 C ASN A 89 -5.469 -1.914 -4.022 1.00 0.00 C ATOM 1517 O ASN A 89 -6.610 -1.663 -3.620 1.00 0.00 O ATOM 1518 CB ASN A 89 -4.290 -0.548 -5.759 1.00 0.00 C ATOM 1519 CG ASN A 89 -5.610 -0.229 -6.442 1.00 0.00 C ATOM 1520 OD1 ASN A 89 -6.351 -1.125 -6.840 1.00 0.00 O ATOM 1521 ND2 ASN A 89 -5.913 1.053 -6.581 1.00 0.00 N ATOM 0 H ASN A 89 -2.428 -1.270 -4.227 1.00 0.00 H new ATOM 0 HA ASN A 89 -4.851 0.134 -3.823 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -3.593 0.275 -5.914 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -3.848 -1.432 -6.219 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -6.787 1.325 -7.031 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -5.272 1.769 -6.238 1.00 0.00 H new ATOM 1528 N ILE A 90 -5.038 -3.153 -4.267 1.00 0.00 N ATOM 1529 CA ILE A 90 -5.897 -4.312 -4.059 1.00 0.00 C ATOM 1530 C ILE A 90 -6.152 -4.477 -2.571 1.00 0.00 C ATOM 1531 O ILE A 90 -7.253 -4.820 -2.158 1.00 0.00 O ATOM 1532 CB ILE A 90 -5.278 -5.619 -4.609 1.00 0.00 C ATOM 1533 CG1 ILE A 90 -4.935 -5.474 -6.089 1.00 0.00 C ATOM 1534 CG2 ILE A 90 -6.238 -6.786 -4.409 1.00 0.00 C ATOM 1535 CD1 ILE A 90 -4.141 -6.634 -6.651 1.00 0.00 C ATOM 0 H ILE A 90 -4.103 -3.375 -4.608 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.825 -4.133 -4.603 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.359 -5.818 -4.058 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -5.859 -5.370 -6.658 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -4.367 -4.555 -6.232 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -5.788 -7.698 -4.801 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.443 -6.910 -3.346 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -7.170 -6.585 -4.937 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -3.936 -6.457 -7.707 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -3.200 -6.727 -6.110 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -4.715 -7.554 -6.542 1.00 0.00 H new ATOM 1547 N ARG A 91 -5.121 -4.213 -1.776 1.00 0.00 N ATOM 1548 CA ARG A 91 -5.217 -4.311 -0.329 1.00 0.00 C ATOM 1549 C ARG A 91 -6.354 -3.436 0.202 1.00 0.00 C ATOM 1550 O ARG A 91 -7.219 -3.907 0.946 1.00 0.00 O ATOM 1551 CB ARG A 91 -3.891 -3.902 0.318 1.00 0.00 C ATOM 1552 CG ARG A 91 -3.943 -3.805 1.832 1.00 0.00 C ATOM 1553 CD ARG A 91 -4.488 -5.084 2.444 1.00 0.00 C ATOM 1554 NE ARG A 91 -5.387 -4.802 3.558 1.00 0.00 N ATOM 1555 CZ ARG A 91 -5.218 -5.292 4.779 1.00 0.00 C ATOM 1556 NH1 ARG A 91 -4.226 -6.136 5.022 1.00 0.00 N ATOM 1557 NH2 ARG A 91 -6.046 -4.953 5.760 1.00 0.00 N ATOM 0 H ARG A 91 -4.203 -3.927 -2.116 1.00 0.00 H new ATOM 0 HA ARG A 91 -5.433 -5.348 -0.071 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.124 -4.624 0.037 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -3.584 -2.938 -0.087 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -2.944 -3.609 2.221 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -4.570 -2.963 2.124 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -5.018 -5.656 1.683 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -3.661 -5.704 2.790 1.00 0.00 H new ATOM 0 HE ARG A 91 -6.189 -4.195 3.389 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -3.593 -6.409 4.270 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -4.096 -6.513 5.961 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -6.818 -4.312 5.577 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -5.910 -5.334 6.697 1.00 0.00 H new ATOM 1571 N ASN A 92 -6.335 -2.164 -0.181 1.00 0.00 N ATOM 1572 CA ASN A 92 -7.361 -1.216 0.240 1.00 0.00 C ATOM 1573 C ASN A 92 -8.721 -1.613 -0.321 1.00 0.00 C ATOM 1574 O ASN A 92 -9.725 -1.603 0.387 1.00 0.00 O ATOM 1575 CB ASN A 92 -7.023 0.202 -0.243 1.00 0.00 C ATOM 1576 CG ASN A 92 -6.043 0.940 0.651 1.00 0.00 C ATOM 1577 OD1 ASN A 92 -5.125 0.350 1.223 1.00 0.00 O ATOM 1578 ND2 ASN A 92 -6.232 2.246 0.772 1.00 0.00 N ATOM 0 H ASN A 92 -5.617 -1.764 -0.785 1.00 0.00 H new ATOM 0 HA ASN A 92 -7.396 -1.231 1.329 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.608 0.143 -1.249 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -7.944 0.781 -0.311 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -5.605 2.800 1.355 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -7.004 2.697 0.282 1.00 0.00 H new ATOM 1585 N ARG A 93 -8.734 -1.978 -1.599 1.00 0.00 N ATOM 1586 CA ARG A 93 -9.962 -2.359 -2.290 1.00 0.00 C ATOM 1587 C ARG A 93 -10.599 -3.623 -1.712 1.00 0.00 C ATOM 1588 O ARG A 93 -11.807 -3.660 -1.503 1.00 0.00 O ATOM 1589 CB ARG A 93 -9.712 -2.503 -3.793 1.00 0.00 C ATOM 1590 CG ARG A 93 -10.337 -1.401 -4.642 1.00 0.00 C ATOM 1591 CD ARG A 93 -10.138 -0.022 -4.025 1.00 0.00 C ATOM 1592 NE ARG A 93 -8.725 0.369 -3.946 1.00 0.00 N ATOM 1593 CZ ARG A 93 -8.319 1.624 -3.734 1.00 0.00 C ATOM 1594 NH1 ARG A 93 -9.211 2.592 -3.594 1.00 0.00 N ATOM 1595 NH2 ARG A 93 -7.022 1.913 -3.655 1.00 0.00 N ATOM 0 H ARG A 93 -7.899 -2.018 -2.183 1.00 0.00 H new ATOM 0 HA ARG A 93 -10.679 -1.554 -2.131 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -8.637 -2.517 -3.971 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -10.102 -3.466 -4.124 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -9.898 -1.419 -5.639 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -11.403 -1.595 -4.760 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -10.682 0.716 -4.614 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -10.569 -0.011 -3.024 1.00 0.00 H new ATOM 0 HE ARG A 93 -8.016 -0.356 -4.059 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -10.207 2.379 -3.648 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -8.902 3.551 -3.432 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -6.327 1.173 -3.757 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -6.723 2.875 -3.493 1.00 0.00 H new ATOM 1609 N TRP A 94 -9.786 -4.637 -1.449 1.00 0.00 N ATOM 1610 CA TRP A 94 -10.279 -5.893 -0.893 1.00 0.00 C ATOM 1611 C TRP A 94 -10.979 -5.652 0.438 1.00 0.00 C ATOM 1612 O TRP A 94 -12.064 -6.172 0.687 1.00 0.00 O ATOM 1613 CB TRP A 94 -9.123 -6.890 -0.725 1.00 0.00 C ATOM 1614 CG TRP A 94 -9.502 -8.185 -0.065 1.00 0.00 C ATOM 1615 CD1 TRP A 94 -9.200 -8.571 1.209 1.00 0.00 C ATOM 1616 CD2 TRP A 94 -10.241 -9.269 -0.648 1.00 0.00 C ATOM 1617 NE1 TRP A 94 -9.707 -9.824 1.458 1.00 0.00 N ATOM 1618 CE2 TRP A 94 -10.352 -10.273 0.334 1.00 0.00 C ATOM 1619 CE3 TRP A 94 -10.822 -9.486 -1.901 1.00 0.00 C ATOM 1620 CZ2 TRP A 94 -11.018 -11.473 0.101 1.00 0.00 C ATOM 1621 CZ3 TRP A 94 -11.482 -10.677 -2.131 1.00 0.00 C ATOM 1622 CH2 TRP A 94 -11.576 -11.656 -1.135 1.00 0.00 C ATOM 0 H TRP A 94 -8.779 -4.616 -1.612 1.00 0.00 H new ATOM 0 HA TRP A 94 -11.005 -6.318 -1.586 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -8.703 -7.108 -1.707 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -8.335 -6.416 -0.139 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -8.643 -7.977 1.919 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -9.618 -10.336 2.335 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -10.756 -8.736 -2.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -11.092 -12.231 0.867 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -11.933 -10.856 -3.096 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -12.100 -12.576 -1.347 1.00 0.00 H new ATOM 1633 N MET A 95 -10.364 -4.830 1.275 1.00 0.00 N ATOM 1634 CA MET A 95 -10.921 -4.512 2.583 1.00 0.00 C ATOM 1635 C MET A 95 -12.202 -3.693 2.447 1.00 0.00 C ATOM 1636 O MET A 95 -13.171 -3.917 3.172 1.00 0.00 O ATOM 1637 CB MET A 95 -9.888 -3.762 3.426 1.00 0.00 C ATOM 1638 CG MET A 95 -10.174 -3.760 4.919 1.00 0.00 C ATOM 1639 SD MET A 95 -8.725 -3.302 5.894 1.00 0.00 S ATOM 1640 CE MET A 95 -9.401 -3.347 7.552 1.00 0.00 C ATOM 0 H MET A 95 -9.477 -4.370 1.072 1.00 0.00 H new ATOM 0 HA MET A 95 -11.173 -5.445 3.086 1.00 0.00 H new ATOM 0 HB2 MET A 95 -8.908 -4.207 3.257 1.00 0.00 H new ATOM 0 HB3 MET A 95 -9.834 -2.730 3.078 1.00 0.00 H new ATOM 0 HG2 MET A 95 -10.986 -3.064 5.130 1.00 0.00 H new ATOM 0 HG3 MET A 95 -10.515 -4.750 5.223 1.00 0.00 H new ATOM 0 HE1 MET A 95 -8.623 -3.086 8.269 1.00 0.00 H new ATOM 0 HE2 MET A 95 -10.221 -2.633 7.630 1.00 0.00 H new ATOM 0 HE3 MET A 95 -9.771 -4.350 7.767 1.00 0.00 H new ATOM 1650 N MET A 96 -12.198 -2.748 1.512 1.00 0.00 N ATOM 1651 CA MET A 96 -13.361 -1.900 1.269 1.00 0.00 C ATOM 1652 C MET A 96 -14.522 -2.718 0.701 1.00 0.00 C ATOM 1653 O MET A 96 -15.665 -2.597 1.151 1.00 0.00 O ATOM 1654 CB MET A 96 -12.987 -0.756 0.318 1.00 0.00 C ATOM 1655 CG MET A 96 -14.108 0.236 0.041 1.00 0.00 C ATOM 1656 SD MET A 96 -15.109 -0.227 -1.388 1.00 0.00 S ATOM 1657 CE MET A 96 -16.131 1.232 -1.570 1.00 0.00 C ATOM 0 H MET A 96 -11.400 -2.550 0.908 1.00 0.00 H new ATOM 0 HA MET A 96 -13.685 -1.474 2.219 1.00 0.00 H new ATOM 0 HB2 MET A 96 -12.138 -0.216 0.738 1.00 0.00 H new ATOM 0 HB3 MET A 96 -12.656 -1.183 -0.629 1.00 0.00 H new ATOM 0 HG2 MET A 96 -14.748 0.309 0.920 1.00 0.00 H new ATOM 0 HG3 MET A 96 -13.680 1.225 -0.125 1.00 0.00 H new ATOM 0 HE1 MET A 96 -16.807 1.100 -2.415 1.00 0.00 H new ATOM 0 HE2 MET A 96 -16.713 1.384 -0.661 1.00 0.00 H new ATOM 0 HE3 MET A 96 -15.497 2.101 -1.745 1.00 0.00 H new ATOM 1667 N ILE A 97 -14.214 -3.563 -0.275 1.00 0.00 N ATOM 1668 CA ILE A 97 -15.218 -4.413 -0.904 1.00 0.00 C ATOM 1669 C ILE A 97 -15.770 -5.421 0.100 1.00 0.00 C ATOM 1670 O ILE A 97 -16.980 -5.647 0.159 1.00 0.00 O ATOM 1671 CB ILE A 97 -14.663 -5.128 -2.169 1.00 0.00 C ATOM 1672 CG1 ILE A 97 -14.984 -4.322 -3.432 1.00 0.00 C ATOM 1673 CG2 ILE A 97 -15.184 -6.555 -2.304 1.00 0.00 C ATOM 1674 CD1 ILE A 97 -14.202 -3.035 -3.572 1.00 0.00 C ATOM 0 H ILE A 97 -13.272 -3.678 -0.650 1.00 0.00 H new ATOM 0 HA ILE A 97 -16.035 -3.771 -1.234 1.00 0.00 H new ATOM 0 HB ILE A 97 -13.581 -5.188 -2.050 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -14.791 -4.946 -4.305 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -16.048 -4.088 -3.437 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -14.768 -7.011 -3.202 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -14.886 -7.135 -1.431 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -16.272 -6.540 -2.375 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -14.493 -2.531 -4.493 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -14.413 -2.387 -2.721 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -13.136 -3.259 -3.602 1.00 0.00 H new ATOM 1686 N ALA A 98 -14.884 -5.994 0.912 1.00 0.00 N ATOM 1687 CA ALA A 98 -15.282 -6.973 1.919 1.00 0.00 C ATOM 1688 C ALA A 98 -16.283 -6.372 2.899 1.00 0.00 C ATOM 1689 O ALA A 98 -17.196 -7.054 3.358 1.00 0.00 O ATOM 1690 CB ALA A 98 -14.070 -7.511 2.662 1.00 0.00 C ATOM 0 H ALA A 98 -13.884 -5.796 0.891 1.00 0.00 H new ATOM 0 HA ALA A 98 -15.765 -7.803 1.403 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -14.393 -8.238 3.407 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -13.394 -7.991 1.955 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -13.553 -6.689 3.158 1.00 0.00 H new ATOM 1696 N ARG A 99 -16.127 -5.084 3.189 1.00 0.00 N ATOM 1697 CA ARG A 99 -17.022 -4.388 4.108 1.00 0.00 C ATOM 1698 C ARG A 99 -18.441 -4.324 3.546 1.00 0.00 C ATOM 1699 O ARG A 99 -19.420 -4.320 4.291 1.00 0.00 O ATOM 1700 CB ARG A 99 -16.497 -2.979 4.409 1.00 0.00 C ATOM 1701 CG ARG A 99 -17.273 -2.233 5.482 1.00 0.00 C ATOM 1702 CD ARG A 99 -16.438 -1.121 6.101 1.00 0.00 C ATOM 1703 NE ARG A 99 -16.812 0.208 5.613 1.00 0.00 N ATOM 1704 CZ ARG A 99 -17.381 1.142 6.378 1.00 0.00 C ATOM 1705 NH1 ARG A 99 -17.683 0.871 7.641 1.00 0.00 N ATOM 1706 NH2 ARG A 99 -17.652 2.341 5.882 1.00 0.00 N ATOM 0 H ARG A 99 -15.387 -4.500 2.800 1.00 0.00 H new ATOM 0 HA ARG A 99 -17.053 -4.951 5.041 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -15.454 -3.052 4.717 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -16.518 -2.393 3.490 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -18.180 -1.811 5.050 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -17.585 -2.931 6.259 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -16.549 -1.150 7.185 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -15.385 -1.300 5.884 1.00 0.00 H new ATOM 0 HE ARG A 99 -16.628 0.432 4.635 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -17.480 -0.051 8.027 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -18.118 1.585 8.226 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -17.426 2.554 4.911 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -18.087 3.050 6.472 1.00 0.00 H new ATOM 1720 N HIS A 100 -18.544 -4.297 2.222 1.00 0.00 N ATOM 1721 CA HIS A 100 -19.840 -4.236 1.558 1.00 0.00 C ATOM 1722 C HIS A 100 -20.356 -5.647 1.266 1.00 0.00 C ATOM 1723 O HIS A 100 -21.563 -5.870 1.165 1.00 0.00 O ATOM 1724 CB HIS A 100 -19.748 -3.419 0.266 1.00 0.00 C ATOM 1725 CG HIS A 100 -21.072 -2.934 -0.242 1.00 0.00 C ATOM 1726 ND1 HIS A 100 -21.540 -3.208 -1.507 1.00 0.00 N ATOM 1727 CD2 HIS A 100 -22.025 -2.180 0.353 1.00 0.00 C ATOM 1728 CE1 HIS A 100 -22.723 -2.644 -1.666 1.00 0.00 C ATOM 1729 NE2 HIS A 100 -23.042 -2.014 -0.554 1.00 0.00 N ATOM 0 H HIS A 100 -17.745 -4.316 1.588 1.00 0.00 H new ATOM 0 HA HIS A 100 -20.545 -3.740 2.225 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -19.099 -2.560 0.436 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -19.275 -4.028 -0.505 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -21.992 -1.782 1.356 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -23.328 -2.691 -2.559 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -23.902 -1.490 -0.393 1.00 0.00 H new ATOM 1738 N ARG A 101 -19.435 -6.589 1.116 1.00 0.00 N ATOM 1739 CA ARG A 101 -19.787 -7.977 0.841 1.00 0.00 C ATOM 1740 C ARG A 101 -20.225 -8.683 2.123 1.00 0.00 C ATOM 1741 O ARG A 101 -21.085 -9.562 2.098 1.00 0.00 O ATOM 1742 CB ARG A 101 -18.599 -8.717 0.202 1.00 0.00 C ATOM 1743 CG ARG A 101 -18.703 -10.237 0.240 1.00 0.00 C ATOM 1744 CD ARG A 101 -18.881 -10.834 -1.149 1.00 0.00 C ATOM 1745 NE ARG A 101 -20.033 -10.273 -1.856 1.00 0.00 N ATOM 1746 CZ ARG A 101 -21.295 -10.664 -1.672 1.00 0.00 C ATOM 1747 NH1 ARG A 101 -21.590 -11.569 -0.745 1.00 0.00 N ATOM 1748 NH2 ARG A 101 -22.267 -10.128 -2.398 1.00 0.00 N ATOM 0 H ARG A 101 -18.432 -6.416 1.181 1.00 0.00 H new ATOM 0 HA ARG A 101 -20.620 -7.987 0.139 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -18.505 -8.398 -0.836 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -17.684 -8.416 0.712 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -17.805 -10.650 0.699 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -19.545 -10.527 0.869 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -17.979 -10.659 -1.735 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -19.001 -11.914 -1.064 1.00 0.00 H new ATOM 0 HE ARG A 101 -19.859 -9.533 -2.536 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -20.849 -11.969 -0.169 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -22.557 -11.864 -0.609 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -22.049 -9.417 -3.097 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -23.232 -10.427 -2.258 1.00 0.00 H new ATOM 1762 N ALA A 102 -19.641 -8.275 3.245 1.00 0.00 N ATOM 1763 CA ALA A 102 -19.959 -8.867 4.540 1.00 0.00 C ATOM 1764 C ALA A 102 -21.347 -8.469 5.021 1.00 0.00 C ATOM 1765 O ALA A 102 -21.844 -9.019 6.005 1.00 0.00 O ATOM 1766 CB ALA A 102 -18.908 -8.495 5.575 1.00 0.00 C ATOM 0 H ALA A 102 -18.942 -7.533 3.283 1.00 0.00 H new ATOM 0 HA ALA A 102 -19.955 -9.949 4.411 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -19.165 -8.947 6.533 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -17.933 -8.860 5.251 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -18.872 -7.411 5.683 1.00 0.00 H new ATOM 1772 N LYS A 103 -21.980 -7.537 4.308 1.00 0.00 N ATOM 1773 CA LYS A 103 -23.316 -7.061 4.658 1.00 0.00 C ATOM 1774 C LYS A 103 -23.360 -6.439 6.057 1.00 0.00 C ATOM 1775 O LYS A 103 -22.334 -6.039 6.606 1.00 0.00 O ATOM 1776 CB LYS A 103 -24.345 -8.189 4.540 1.00 0.00 C ATOM 1777 CG LYS A 103 -24.377 -8.879 3.186 1.00 0.00 C ATOM 1778 CD LYS A 103 -24.857 -7.946 2.091 1.00 0.00 C ATOM 1779 CE LYS A 103 -25.040 -8.696 0.782 1.00 0.00 C ATOM 1780 NZ LYS A 103 -26.128 -9.705 0.866 1.00 0.00 N ATOM 0 H LYS A 103 -21.584 -7.095 3.479 1.00 0.00 H new ATOM 0 HA LYS A 103 -23.572 -6.277 3.945 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -24.137 -8.934 5.308 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -25.335 -7.783 4.750 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -23.380 -9.245 2.941 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -25.032 -9.748 3.236 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -25.800 -7.487 2.387 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -24.138 -7.138 1.955 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -25.264 -7.986 -0.014 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -24.106 -9.191 0.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -26.428 -9.973 -0.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -25.782 -10.547 1.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -26.936 -9.302 1.381 1.00 0.00 H new ATOM 1794 N HIS A 104 -24.564 -6.361 6.620 1.00 0.00 N ATOM 1795 CA HIS A 104 -24.767 -5.788 7.950 1.00 0.00 C ATOM 1796 C HIS A 104 -26.102 -6.242 8.527 1.00 0.00 C ATOM 1797 O HIS A 104 -27.163 -5.918 7.988 1.00 0.00 O ATOM 1798 CB HIS A 104 -24.695 -4.250 7.929 1.00 0.00 C ATOM 1799 CG HIS A 104 -25.346 -3.604 6.742 1.00 0.00 C ATOM 1800 ND1 HIS A 104 -26.713 -3.475 6.597 1.00 0.00 N ATOM 1801 CD2 HIS A 104 -24.804 -3.057 5.629 1.00 0.00 C ATOM 1802 CE1 HIS A 104 -26.976 -2.881 5.449 1.00 0.00 C ATOM 1803 NE2 HIS A 104 -25.836 -2.617 4.841 1.00 0.00 N ATOM 0 H HIS A 104 -25.420 -6.690 6.172 1.00 0.00 H new ATOM 0 HA HIS A 104 -23.959 -6.149 8.587 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -25.163 -3.866 8.835 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -23.648 -3.949 7.959 1.00 0.00 H new ATOM 0 HD1 HIS A 104 -27.410 -3.790 7.272 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -23.751 -2.981 5.403 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -27.961 -2.650 5.070 1.00 0.00 H new ATOM 1812 N GLN A 105 -26.052 -6.992 9.619 1.00 0.00 N ATOM 1813 CA GLN A 105 -27.261 -7.491 10.255 1.00 0.00 C ATOM 1814 C GLN A 105 -27.855 -6.438 11.181 1.00 0.00 C ATOM 1815 O GLN A 105 -27.136 -5.578 11.691 1.00 0.00 O ATOM 1816 CB GLN A 105 -26.976 -8.785 11.018 1.00 0.00 C ATOM 1817 CG GLN A 105 -26.423 -9.903 10.146 1.00 0.00 C ATOM 1818 CD GLN A 105 -26.216 -11.201 10.904 1.00 0.00 C ATOM 1819 OE1 GLN A 105 -25.903 -11.098 12.185 1.00 0.00 O flip ATOM 1820 NE2 GLN A 105 -26.332 -12.290 10.335 1.00 0.00 N flip ATOM 0 H GLN A 105 -25.186 -7.268 10.082 1.00 0.00 H new ATOM 0 HA GLN A 105 -27.991 -7.710 9.476 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -26.266 -8.575 11.818 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -27.896 -9.127 11.491 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -27.106 -10.079 9.315 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -25.473 -9.585 9.716 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -26.575 -12.325 9.345 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -26.185 -13.155 10.855 1.00 0.00 H new ATOM 1829 N LYS A 106 -29.162 -6.507 11.398 1.00 0.00 N ATOM 1830 CA LYS A 106 -29.850 -5.552 12.258 1.00 0.00 C ATOM 1831 C LYS A 106 -31.165 -6.136 12.758 1.00 0.00 C ATOM 1832 O LYS A 106 -31.278 -6.546 13.913 1.00 0.00 O ATOM 1833 CB LYS A 106 -30.088 -4.232 11.514 1.00 0.00 C ATOM 1834 CG LYS A 106 -30.813 -3.172 12.332 1.00 0.00 C ATOM 1835 CD LYS A 106 -30.838 -1.830 11.619 1.00 0.00 C ATOM 1836 CE LYS A 106 -29.508 -1.104 11.752 1.00 0.00 C ATOM 1837 NZ LYS A 106 -29.248 -0.655 13.146 1.00 0.00 N ATOM 0 H LYS A 106 -29.769 -7.217 10.989 1.00 0.00 H new ATOM 0 HA LYS A 106 -29.218 -5.346 13.122 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -29.127 -3.831 11.193 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -30.666 -4.436 10.612 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -31.834 -3.499 12.528 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -30.323 -3.061 13.299 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -31.067 -1.981 10.564 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -31.634 -1.212 12.033 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -28.703 -1.763 11.429 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -29.500 -0.241 11.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -28.511 0.079 13.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -30.122 -0.266 13.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -28.929 -1.463 13.717 1.00 0.00 H new ATOM 1851 N SER A 107 -32.158 -6.187 11.881 1.00 0.00 N ATOM 1852 CA SER A 107 -33.462 -6.725 12.239 1.00 0.00 C ATOM 1853 C SER A 107 -33.899 -7.783 11.232 1.00 0.00 C ATOM 1854 O SER A 107 -33.235 -7.990 10.218 1.00 0.00 O ATOM 1855 CB SER A 107 -34.500 -5.603 12.313 1.00 0.00 C ATOM 1856 OG SER A 107 -33.993 -4.478 13.017 1.00 0.00 O ATOM 1857 OXT SER A 107 -34.920 -8.441 11.423 1.00 0.00 O ATOM 0 H SER A 107 -32.085 -5.862 10.917 1.00 0.00 H new ATOM 0 HA SER A 107 -33.383 -7.193 13.220 1.00 0.00 H new ATOM 0 HB2 SER A 107 -34.789 -5.304 11.305 1.00 0.00 H new ATOM 0 HB3 SER A 107 -35.400 -5.969 12.807 1.00 0.00 H new ATOM 0 HG SER A 107 -34.676 -3.776 13.047 1.00 0.00 H new