USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 915 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 90 ASN : amide:sc= -2.48 K(o=-1.5,f=-3!) USER MOD Set 1.2: A 100 SER OG : rot 70:sc= 0.968 USER MOD Set 2.1: A 37 GLN : amide:sc= 0 X(o=0,f=-0.0031) USER MOD Set 2.2: A 58 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.443) USER MOD Set 3.1: A 22 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 30 GLN : amide:sc= -0.72 K(o=-0.72,f=-1.5) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -117:sc= -4.23! (180deg=-8.1!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -163:sc= 0.354 (180deg=-0.237) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 140:sc= -0.0482 USER MOD Single : A 32 SER OG : rot -37:sc= 0.256 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00775) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 HIS : no HD1:sc= -0.0162 X(o=-0.016,f=-0.035) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot -152:sc= 0.041 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.229 K(o=-0.23,f=-2.7!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -138:sc= -2.65 (180deg=-6.11!) USER MOD Single : A 83 CYS SG : rot 67:sc= 0.558 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 ASN : amide:sc= -0.88 K(o=-0.88,f=-1.6) USER MOD Single : A 87 GLN : amide:sc= -0.31 X(o=-0.31,f=0) USER MOD Single : A 88 THR OG1 : rot -5:sc= 0.901 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -0.153 X(o=-0.15,f=0) USER MOD Single : A 105 SER OG : rot -46:sc= 1.16 USER MOD Single : A 108 THR OG1 : rot 97:sc= 1.21 USER MOD Single : A 109 SER OG : rot 90:sc= 0.00483 USER MOD Single : A 112 GLN : amide:sc= -0.0636 X(o=-0.064,f=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 11 1.086 -20.259 -0.702 1.00 0.00 N ATOM 2 CA LYS A 11 0.976 -18.896 -1.225 1.00 0.00 C ATOM 3 C LYS A 11 0.946 -17.871 -0.091 1.00 0.00 C ATOM 4 O LYS A 11 1.498 -16.777 -0.219 1.00 0.00 O ATOM 5 CB LYS A 11 -0.276 -18.749 -2.098 1.00 0.00 C ATOM 6 CG LYS A 11 -0.036 -19.081 -3.563 1.00 0.00 C ATOM 7 CD LYS A 11 -1.303 -18.921 -4.390 1.00 0.00 C ATOM 8 CE LYS A 11 -1.115 -19.463 -5.800 1.00 0.00 C ATOM 9 NZ LYS A 11 -2.380 -20.013 -6.362 1.00 0.00 N ATOM 0 HA LYS A 11 1.857 -18.705 -1.838 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.059 -19.400 -1.709 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.645 -17.726 -2.021 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.743 -18.431 -3.961 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.328 -20.105 -3.649 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.126 -19.445 -3.904 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.579 -17.867 -4.437 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.747 -18.667 -6.448 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.354 -20.243 -5.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.206 -20.371 -7.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.719 -20.790 -5.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.099 -19.263 -6.397 1.00 0.00 H new ATOM 23 N MET A 12 0.305 -18.237 1.020 1.00 0.00 N ATOM 24 CA MET A 12 0.206 -17.354 2.181 1.00 0.00 C ATOM 25 C MET A 12 1.594 -16.939 2.669 1.00 0.00 C ATOM 26 O MET A 12 1.843 -15.759 2.920 1.00 0.00 O ATOM 27 CB MET A 12 -0.557 -18.053 3.311 1.00 0.00 C ATOM 28 CG MET A 12 -0.931 -17.133 4.463 1.00 0.00 C ATOM 29 SD MET A 12 -2.277 -16.008 4.048 1.00 0.00 S ATOM 30 CE MET A 12 -1.366 -14.509 3.689 1.00 0.00 C ATOM 0 H MET A 12 -0.154 -19.140 1.139 1.00 0.00 H new ATOM 0 HA MET A 12 -0.337 -16.457 1.882 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.466 -18.496 2.903 1.00 0.00 H new ATOM 0 HB3 MET A 12 0.052 -18.871 3.695 1.00 0.00 H new ATOM 0 HG2 MET A 12 -1.219 -17.735 5.324 1.00 0.00 H new ATOM 0 HG3 MET A 12 -0.056 -16.553 4.758 1.00 0.00 H new ATOM 0 HE1 MET A 12 -1.644 -13.734 4.404 1.00 0.00 H new ATOM 0 HE2 MET A 12 -0.297 -14.706 3.765 1.00 0.00 H new ATOM 0 HE3 MET A 12 -1.602 -14.173 2.679 1.00 0.00 H new ATOM 40 N LYS A 13 2.494 -17.916 2.794 1.00 0.00 N ATOM 41 CA LYS A 13 3.859 -17.651 3.247 1.00 0.00 C ATOM 42 C LYS A 13 4.600 -16.756 2.254 1.00 0.00 C ATOM 43 O LYS A 13 5.376 -15.887 2.650 1.00 0.00 O ATOM 44 CB LYS A 13 4.623 -18.965 3.440 1.00 0.00 C ATOM 45 CG LYS A 13 3.996 -19.891 4.473 1.00 0.00 C ATOM 46 CD LYS A 13 5.044 -20.515 5.382 1.00 0.00 C ATOM 47 CE LYS A 13 4.559 -20.592 6.821 1.00 0.00 C ATOM 48 NZ LYS A 13 5.346 -21.566 7.626 1.00 0.00 N ATOM 0 H LYS A 13 2.302 -18.896 2.588 1.00 0.00 H new ATOM 0 HA LYS A 13 3.802 -17.131 4.203 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.679 -19.486 2.484 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.646 -18.739 3.741 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.279 -19.332 5.075 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.440 -20.679 3.965 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.287 -21.516 5.025 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.962 -19.929 5.337 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.627 -19.605 7.279 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.507 -20.878 6.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.982 -21.586 8.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.261 -22.513 7.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.346 -21.280 7.636 1.00 0.00 H new ATOM 62 N LYS A 14 4.348 -16.971 0.961 1.00 0.00 N ATOM 63 CA LYS A 14 4.985 -16.177 -0.089 1.00 0.00 C ATOM 64 C LYS A 14 4.615 -14.699 0.041 1.00 0.00 C ATOM 65 O LYS A 14 5.469 -13.824 -0.112 1.00 0.00 O ATOM 66 CB LYS A 14 4.589 -16.702 -1.476 1.00 0.00 C ATOM 67 CG LYS A 14 5.244 -15.951 -2.628 1.00 0.00 C ATOM 68 CD LYS A 14 6.561 -16.594 -3.040 1.00 0.00 C ATOM 69 CE LYS A 14 7.673 -16.288 -2.044 1.00 0.00 C ATOM 70 NZ LYS A 14 7.762 -14.831 -1.732 1.00 0.00 N ATOM 0 H LYS A 14 3.708 -17.687 0.617 1.00 0.00 H new ATOM 0 HA LYS A 14 6.065 -16.271 0.027 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.855 -17.757 -1.544 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.506 -16.639 -1.582 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.566 -15.930 -3.481 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.420 -14.916 -2.335 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.430 -17.673 -3.119 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.848 -16.234 -4.028 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.498 -16.845 -1.124 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.626 -16.631 -2.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.683 -14.625 -1.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.665 -14.281 -2.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.000 -14.570 -1.074 1.00 0.00 H new ATOM 84 N ILE A 15 3.340 -14.429 0.330 1.00 0.00 N ATOM 85 CA ILE A 15 2.861 -13.055 0.483 1.00 0.00 C ATOM 86 C ILE A 15 3.517 -12.378 1.686 1.00 0.00 C ATOM 87 O ILE A 15 3.992 -11.247 1.587 1.00 0.00 O ATOM 88 CB ILE A 15 1.324 -12.994 0.646 1.00 0.00 C ATOM 89 CG1 ILE A 15 0.630 -13.753 -0.490 1.00 0.00 C ATOM 90 CG2 ILE A 15 0.850 -11.546 0.687 1.00 0.00 C ATOM 91 CD1 ILE A 15 -0.651 -14.440 -0.067 1.00 0.00 C ATOM 0 H ILE A 15 2.623 -15.142 0.462 1.00 0.00 H new ATOM 0 HA ILE A 15 3.136 -12.526 -0.430 1.00 0.00 H new ATOM 0 HB ILE A 15 1.060 -13.472 1.589 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.409 -13.057 -1.299 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.317 -14.499 -0.890 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.234 -11.521 0.802 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.316 -11.034 1.529 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.128 -11.046 -0.241 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.086 -14.957 -0.922 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.434 -15.162 0.721 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.356 -13.697 0.306 1.00 0.00 H new ATOM 103 N VAL A 16 3.546 -13.082 2.818 1.00 0.00 N ATOM 104 CA VAL A 16 4.150 -12.548 4.039 1.00 0.00 C ATOM 105 C VAL A 16 5.642 -12.289 3.843 1.00 0.00 C ATOM 106 O VAL A 16 6.156 -11.251 4.257 1.00 0.00 O ATOM 107 CB VAL A 16 3.961 -13.502 5.239 1.00 0.00 C ATOM 108 CG1 VAL A 16 4.480 -12.863 6.520 1.00 0.00 C ATOM 109 CG2 VAL A 16 2.497 -13.900 5.390 1.00 0.00 C ATOM 0 H VAL A 16 3.159 -14.021 2.915 1.00 0.00 H new ATOM 0 HA VAL A 16 3.640 -11.609 4.254 1.00 0.00 H new ATOM 0 HB VAL A 16 4.540 -14.406 5.049 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.338 -13.551 7.353 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.541 -12.640 6.411 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.933 -11.940 6.714 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.389 -14.572 6.241 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.892 -13.008 5.553 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.162 -14.405 4.484 1.00 0.00 H new ATOM 119 N ASP A 17 6.328 -13.235 3.201 1.00 0.00 N ATOM 120 CA ASP A 17 7.762 -13.106 2.946 1.00 0.00 C ATOM 121 C ASP A 17 8.069 -11.818 2.180 1.00 0.00 C ATOM 122 O ASP A 17 9.075 -11.159 2.444 1.00 0.00 O ATOM 123 CB ASP A 17 8.275 -14.312 2.155 1.00 0.00 C ATOM 124 CG ASP A 17 9.786 -14.439 2.215 1.00 0.00 C ATOM 125 OD1 ASP A 17 10.304 -14.855 3.273 1.00 0.00 O ATOM 126 OD2 ASP A 17 10.448 -14.122 1.206 1.00 0.00 O ATOM 0 H ASP A 17 5.914 -14.098 2.849 1.00 0.00 H new ATOM 0 HA ASP A 17 8.270 -13.067 3.909 1.00 0.00 H new ATOM 0 HB2 ASP A 17 7.820 -15.221 2.548 1.00 0.00 H new ATOM 0 HB3 ASP A 17 7.961 -14.222 1.115 1.00 0.00 H new ATOM 131 N ALA A 18 7.196 -11.465 1.237 1.00 0.00 N ATOM 132 CA ALA A 18 7.374 -10.256 0.436 1.00 0.00 C ATOM 133 C ALA A 18 7.232 -8.994 1.287 1.00 0.00 C ATOM 134 O ALA A 18 8.011 -8.051 1.144 1.00 0.00 O ATOM 135 CB ALA A 18 6.378 -10.232 -0.717 1.00 0.00 C ATOM 0 H ALA A 18 6.358 -12.000 1.009 1.00 0.00 H new ATOM 0 HA ALA A 18 8.386 -10.272 0.030 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.523 -9.325 -1.304 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.535 -11.104 -1.351 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.363 -10.249 -0.321 1.00 0.00 H new ATOM 141 N VAL A 19 6.233 -8.981 2.170 1.00 0.00 N ATOM 142 CA VAL A 19 5.995 -7.827 3.038 1.00 0.00 C ATOM 143 C VAL A 19 7.067 -7.716 4.122 1.00 0.00 C ATOM 144 O VAL A 19 7.619 -6.638 4.350 1.00 0.00 O ATOM 145 CB VAL A 19 4.604 -7.892 3.706 1.00 0.00 C ATOM 146 CG1 VAL A 19 4.305 -6.592 4.442 1.00 0.00 C ATOM 147 CG2 VAL A 19 3.522 -8.188 2.674 1.00 0.00 C ATOM 0 H VAL A 19 5.579 -9.752 2.303 1.00 0.00 H new ATOM 0 HA VAL A 19 6.038 -6.945 2.399 1.00 0.00 H new ATOM 0 HB VAL A 19 4.610 -8.705 4.432 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.321 -6.655 4.907 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.060 -6.427 5.211 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.320 -5.762 3.735 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.551 -8.229 3.167 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.513 -7.401 1.920 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.727 -9.146 2.196 1.00 0.00 H new ATOM 157 N ILE A 20 7.357 -8.835 4.786 1.00 0.00 N ATOM 158 CA ILE A 20 8.364 -8.861 5.846 1.00 0.00 C ATOM 159 C ILE A 20 9.756 -8.540 5.299 1.00 0.00 C ATOM 160 O ILE A 20 10.562 -7.905 5.980 1.00 0.00 O ATOM 161 CB ILE A 20 8.395 -10.223 6.574 1.00 0.00 C ATOM 162 CG1 ILE A 20 7.012 -10.557 7.141 1.00 0.00 C ATOM 163 CG2 ILE A 20 9.435 -10.213 7.686 1.00 0.00 C ATOM 164 CD1 ILE A 20 6.553 -9.612 8.233 1.00 0.00 C ATOM 0 H ILE A 20 6.909 -9.734 4.609 1.00 0.00 H new ATOM 0 HA ILE A 20 8.080 -8.092 6.564 1.00 0.00 H new ATOM 0 HB ILE A 20 8.670 -10.992 5.852 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.284 -10.541 6.330 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.027 -11.573 7.536 1.00 0.00 H new ATOM 0 HG21 ILE A 20 9.441 -11.181 8.187 1.00 0.00 H new ATOM 0 HG22 ILE A 20 10.420 -10.017 7.261 1.00 0.00 H new ATOM 0 HG23 ILE A 20 9.189 -9.433 8.407 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.566 -9.913 8.584 1.00 0.00 H new ATOM 0 HD12 ILE A 20 7.259 -9.645 9.063 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.504 -8.597 7.839 1.00 0.00 H new ATOM 176 N LYS A 21 10.035 -8.978 4.070 1.00 0.00 N ATOM 177 CA LYS A 21 11.334 -8.720 3.445 1.00 0.00 C ATOM 178 C LYS A 21 11.604 -7.214 3.352 1.00 0.00 C ATOM 179 O LYS A 21 12.752 -6.778 3.435 1.00 0.00 O ATOM 180 CB LYS A 21 11.400 -9.350 2.049 1.00 0.00 C ATOM 181 CG LYS A 21 12.015 -10.744 2.034 1.00 0.00 C ATOM 182 CD LYS A 21 12.105 -11.301 0.620 1.00 0.00 C ATOM 183 CE LYS A 21 13.474 -11.907 0.344 1.00 0.00 C ATOM 184 NZ LYS A 21 13.439 -12.884 -0.782 1.00 0.00 N ATOM 0 H LYS A 21 9.385 -9.509 3.491 1.00 0.00 H new ATOM 0 HA LYS A 21 12.102 -9.175 4.071 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.393 -9.403 1.636 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.980 -8.700 1.394 1.00 0.00 H new ATOM 0 HG2 LYS A 21 13.011 -10.708 2.476 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.416 -11.413 2.652 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.335 -12.059 0.477 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.907 -10.506 -0.099 1.00 0.00 H new ATOM 0 HE2 LYS A 21 14.182 -11.111 0.111 1.00 0.00 H new ATOM 0 HE3 LYS A 21 13.838 -12.404 1.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.392 -13.272 -0.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.784 -13.658 -0.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 13.117 -12.405 -1.647 1.00 0.00 H new ATOM 198 N TYR A 22 10.539 -6.424 3.185 1.00 0.00 N ATOM 199 CA TYR A 22 10.666 -4.973 3.087 1.00 0.00 C ATOM 200 C TYR A 22 10.156 -4.287 4.361 1.00 0.00 C ATOM 201 O TYR A 22 9.246 -3.456 4.314 1.00 0.00 O ATOM 202 CB TYR A 22 9.913 -4.457 1.852 1.00 0.00 C ATOM 203 CG TYR A 22 9.994 -2.954 1.655 1.00 0.00 C ATOM 204 CD1 TYR A 22 11.108 -2.228 2.068 1.00 0.00 C ATOM 205 CD2 TYR A 22 8.950 -2.263 1.053 1.00 0.00 C ATOM 206 CE1 TYR A 22 11.176 -0.859 1.888 1.00 0.00 C ATOM 207 CE2 TYR A 22 9.012 -0.894 0.869 1.00 0.00 C ATOM 208 CZ TYR A 22 10.126 -0.197 1.288 1.00 0.00 C ATOM 209 OH TYR A 22 10.187 1.168 1.107 1.00 0.00 O ATOM 0 H TYR A 22 9.581 -6.768 3.115 1.00 0.00 H new ATOM 0 HA TYR A 22 11.723 -4.728 2.979 1.00 0.00 H new ATOM 0 HB2 TYR A 22 10.312 -4.950 0.965 1.00 0.00 H new ATOM 0 HB3 TYR A 22 8.865 -4.745 1.933 1.00 0.00 H new ATOM 0 HD1 TYR A 22 11.933 -2.743 2.537 1.00 0.00 H new ATOM 0 HD2 TYR A 22 8.075 -2.804 0.723 1.00 0.00 H new ATOM 0 HE1 TYR A 22 12.047 -0.311 2.216 1.00 0.00 H new ATOM 0 HE2 TYR A 22 8.191 -0.372 0.399 1.00 0.00 H new ATOM 0 HH TYR A 22 9.366 1.477 0.669 1.00 0.00 H new ATOM 219 N LYS A 23 10.758 -4.632 5.499 1.00 0.00 N ATOM 220 CA LYS A 23 10.380 -4.039 6.778 1.00 0.00 C ATOM 221 C LYS A 23 11.365 -2.941 7.164 1.00 0.00 C ATOM 222 O LYS A 23 12.545 -3.214 7.396 1.00 0.00 O ATOM 223 CB LYS A 23 10.340 -5.105 7.876 1.00 0.00 C ATOM 224 CG LYS A 23 9.156 -6.051 7.767 1.00 0.00 C ATOM 225 CD LYS A 23 8.144 -5.808 8.874 1.00 0.00 C ATOM 226 CE LYS A 23 6.727 -6.116 8.415 1.00 0.00 C ATOM 227 NZ LYS A 23 6.109 -4.968 7.692 1.00 0.00 N ATOM 0 H LYS A 23 11.509 -5.319 5.559 1.00 0.00 H new ATOM 0 HA LYS A 23 9.385 -3.606 6.671 1.00 0.00 H new ATOM 0 HB2 LYS A 23 11.262 -5.685 7.840 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.311 -4.612 8.848 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.674 -5.922 6.798 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.507 -7.082 7.814 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.391 -6.428 9.736 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.204 -4.770 9.201 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.739 -6.990 7.763 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.114 -6.372 9.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.144 -5.222 7.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.073 -4.141 8.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.678 -4.740 6.852 1.00 0.00 H new ATOM 241 N ASP A 24 10.881 -1.703 7.226 1.00 0.00 N ATOM 242 CA ASP A 24 11.730 -0.569 7.582 1.00 0.00 C ATOM 243 C ASP A 24 11.941 -0.502 9.091 1.00 0.00 C ATOM 244 O ASP A 24 10.987 -0.321 9.851 1.00 0.00 O ATOM 245 CB ASP A 24 11.112 0.739 7.087 1.00 0.00 C ATOM 246 CG ASP A 24 11.901 1.357 5.949 1.00 0.00 C ATOM 247 OD1 ASP A 24 11.669 0.965 4.785 1.00 0.00 O ATOM 248 OD2 ASP A 24 12.749 2.231 6.221 1.00 0.00 O ATOM 0 H ASP A 24 9.909 -1.460 7.035 1.00 0.00 H new ATOM 0 HA ASP A 24 12.698 -0.710 7.100 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.090 0.553 6.758 1.00 0.00 H new ATOM 0 HB3 ASP A 24 11.057 1.447 7.914 1.00 0.00 H new ATOM 253 N SER A 25 13.196 -0.645 9.518 1.00 0.00 N ATOM 254 CA SER A 25 13.542 -0.601 10.940 1.00 0.00 C ATOM 255 C SER A 25 12.814 -1.700 11.722 1.00 0.00 C ATOM 256 O SER A 25 12.103 -2.523 11.142 1.00 0.00 O ATOM 257 CB SER A 25 13.205 0.778 11.524 1.00 0.00 C ATOM 258 OG SER A 25 13.954 1.800 10.888 1.00 0.00 O ATOM 0 H SER A 25 13.992 -0.793 8.898 1.00 0.00 H new ATOM 0 HA SER A 25 14.614 -0.775 11.033 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.140 0.976 11.405 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.412 0.783 12.594 1.00 0.00 H new ATOM 0 HG SER A 25 13.719 2.668 11.277 1.00 0.00 H new ATOM 264 N SER A 26 12.999 -1.708 13.043 1.00 0.00 N ATOM 265 CA SER A 26 12.361 -2.700 13.906 1.00 0.00 C ATOM 266 C SER A 26 10.933 -2.280 14.262 1.00 0.00 C ATOM 267 O SER A 26 10.092 -3.123 14.576 1.00 0.00 O ATOM 268 CB SER A 26 13.179 -2.902 15.184 1.00 0.00 C ATOM 269 OG SER A 26 12.956 -4.188 15.737 1.00 0.00 O ATOM 0 H SER A 26 13.587 -1.037 13.538 1.00 0.00 H new ATOM 0 HA SER A 26 12.318 -3.642 13.359 1.00 0.00 H new ATOM 0 HB2 SER A 26 14.239 -2.777 14.964 1.00 0.00 H new ATOM 0 HB3 SER A 26 12.912 -2.138 15.914 1.00 0.00 H new ATOM 0 HG SER A 26 13.491 -4.291 16.551 1.00 0.00 H new ATOM 275 N SER A 27 10.667 -0.973 14.221 1.00 0.00 N ATOM 276 CA SER A 27 9.342 -0.451 14.546 1.00 0.00 C ATOM 277 C SER A 27 8.422 -0.427 13.320 1.00 0.00 C ATOM 278 O SER A 27 7.200 -0.365 13.458 1.00 0.00 O ATOM 279 CB SER A 27 9.472 0.957 15.137 1.00 0.00 C ATOM 280 OG SER A 27 8.211 1.602 15.230 1.00 0.00 O ATOM 0 H SER A 27 11.351 -0.260 13.967 1.00 0.00 H new ATOM 0 HA SER A 27 8.890 -1.117 15.281 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.925 0.897 16.127 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.141 1.553 14.516 1.00 0.00 H new ATOM 0 HG SER A 27 8.159 2.099 16.073 1.00 0.00 H new ATOM 286 N GLY A 28 9.010 -0.474 12.123 1.00 0.00 N ATOM 287 CA GLY A 28 8.218 -0.454 10.903 1.00 0.00 C ATOM 288 C GLY A 28 7.816 0.953 10.485 1.00 0.00 C ATOM 289 O GLY A 28 6.814 1.134 9.790 1.00 0.00 O ATOM 0 H GLY A 28 10.018 -0.525 11.978 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.787 -0.919 10.098 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.321 -1.056 11.048 1.00 0.00 H new ATOM 293 N ARG A 29 8.598 1.949 10.904 1.00 0.00 N ATOM 294 CA ARG A 29 8.319 3.342 10.564 1.00 0.00 C ATOM 295 C ARG A 29 9.087 3.751 9.311 1.00 0.00 C ATOM 296 O ARG A 29 10.300 3.555 9.227 1.00 0.00 O ATOM 297 CB ARG A 29 8.690 4.263 11.732 1.00 0.00 C ATOM 298 CG ARG A 29 7.613 4.358 12.803 1.00 0.00 C ATOM 299 CD ARG A 29 8.099 5.138 14.018 1.00 0.00 C ATOM 300 NE ARG A 29 9.004 4.350 14.855 1.00 0.00 N ATOM 301 CZ ARG A 29 9.282 4.635 16.130 1.00 0.00 C ATOM 302 NH1 ARG A 29 8.733 5.693 16.722 1.00 0.00 N ATOM 303 NH2 ARG A 29 10.115 3.860 16.815 1.00 0.00 N ATOM 0 H ARG A 29 9.429 1.815 11.479 1.00 0.00 H new ATOM 0 HA ARG A 29 7.251 3.439 10.366 1.00 0.00 H new ATOM 0 HB2 ARG A 29 9.612 3.903 12.188 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.894 5.261 11.345 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.729 4.842 12.389 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.314 3.356 13.109 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.609 6.043 13.687 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.241 5.454 14.611 1.00 0.00 H new ATOM 0 HE ARG A 29 9.450 3.532 14.439 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.094 6.294 16.202 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.951 5.903 17.696 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.541 3.049 16.367 1.00 0.00 H new ATOM 0 HH22 ARG A 29 10.328 4.076 17.789 1.00 0.00 H new ATOM 317 N GLN A 30 8.370 4.312 8.338 1.00 0.00 N ATOM 318 CA GLN A 30 8.981 4.742 7.080 1.00 0.00 C ATOM 319 C GLN A 30 8.107 5.774 6.365 1.00 0.00 C ATOM 320 O GLN A 30 7.076 6.198 6.888 1.00 0.00 O ATOM 321 CB GLN A 30 9.209 3.529 6.170 1.00 0.00 C ATOM 322 CG GLN A 30 7.947 2.724 5.892 1.00 0.00 C ATOM 323 CD GLN A 30 8.216 1.471 5.080 1.00 0.00 C ATOM 324 OE1 GLN A 30 8.112 0.356 5.587 1.00 0.00 O ATOM 325 NE2 GLN A 30 8.566 1.648 3.810 1.00 0.00 N ATOM 0 H GLN A 30 7.366 4.480 8.396 1.00 0.00 H new ATOM 0 HA GLN A 30 9.939 5.210 7.309 1.00 0.00 H new ATOM 0 HB2 GLN A 30 9.627 3.870 5.223 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.951 2.876 6.629 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.483 2.446 6.838 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.232 3.350 5.359 1.00 0.00 H new ATOM 0 HE21 GLN A 30 8.641 2.591 3.428 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.760 0.841 3.217 1.00 0.00 H new ATOM 334 N LEU A 31 8.525 6.166 5.160 1.00 0.00 N ATOM 335 CA LEU A 31 7.781 7.139 4.359 1.00 0.00 C ATOM 336 C LEU A 31 6.380 6.614 4.037 1.00 0.00 C ATOM 337 O LEU A 31 5.420 7.382 3.974 1.00 0.00 O ATOM 338 CB LEU A 31 8.535 7.460 3.061 1.00 0.00 C ATOM 339 CG LEU A 31 9.735 8.403 3.216 1.00 0.00 C ATOM 340 CD1 LEU A 31 10.751 7.825 4.190 1.00 0.00 C ATOM 341 CD2 LEU A 31 10.384 8.672 1.864 1.00 0.00 C ATOM 0 H LEU A 31 9.377 5.823 4.717 1.00 0.00 H new ATOM 0 HA LEU A 31 7.685 8.055 4.942 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.883 6.525 2.622 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.834 7.903 2.353 1.00 0.00 H new ATOM 0 HG LEU A 31 9.375 9.350 3.619 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.594 8.509 4.285 1.00 0.00 H new ATOM 0 HD12 LEU A 31 10.283 7.688 5.165 1.00 0.00 H new ATOM 0 HD13 LEU A 31 11.105 6.863 3.819 1.00 0.00 H new ATOM 0 HD21 LEU A 31 11.233 9.343 1.995 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.727 7.732 1.432 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.656 9.134 1.197 1.00 0.00 H new ATOM 353 N SER A 32 6.275 5.297 3.829 1.00 0.00 N ATOM 354 CA SER A 32 4.995 4.657 3.512 1.00 0.00 C ATOM 355 C SER A 32 4.015 4.694 4.693 1.00 0.00 C ATOM 356 O SER A 32 2.853 4.314 4.543 1.00 0.00 O ATOM 357 CB SER A 32 5.223 3.206 3.084 1.00 0.00 C ATOM 358 OG SER A 32 4.051 2.650 2.508 1.00 0.00 O ATOM 0 H SER A 32 7.064 4.652 3.875 1.00 0.00 H new ATOM 0 HA SER A 32 4.550 5.223 2.693 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.041 3.160 2.365 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.524 2.612 3.947 1.00 0.00 H new ATOM 0 HG SER A 32 3.262 2.986 2.982 1.00 0.00 H new ATOM 364 N GLU A 33 4.478 5.146 5.862 1.00 0.00 N ATOM 365 CA GLU A 33 3.625 5.220 7.049 1.00 0.00 C ATOM 366 C GLU A 33 2.383 6.075 6.786 1.00 0.00 C ATOM 367 O GLU A 33 1.334 5.860 7.396 1.00 0.00 O ATOM 368 CB GLU A 33 4.414 5.795 8.228 1.00 0.00 C ATOM 369 CG GLU A 33 3.764 5.547 9.579 1.00 0.00 C ATOM 370 CD GLU A 33 3.207 6.814 10.202 1.00 0.00 C ATOM 371 OE1 GLU A 33 3.974 7.788 10.352 1.00 0.00 O ATOM 372 OE2 GLU A 33 2.006 6.830 10.539 1.00 0.00 O ATOM 0 H GLU A 33 5.435 5.465 6.010 1.00 0.00 H new ATOM 0 HA GLU A 33 3.297 4.209 7.292 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.414 5.361 8.231 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.534 6.869 8.084 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.960 4.820 9.463 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.497 5.106 10.255 1.00 0.00 H new ATOM 379 N VAL A 34 2.505 7.037 5.872 1.00 0.00 N ATOM 380 CA VAL A 34 1.392 7.917 5.522 1.00 0.00 C ATOM 381 C VAL A 34 0.261 7.147 4.829 1.00 0.00 C ATOM 382 O VAL A 34 -0.889 7.588 4.830 1.00 0.00 O ATOM 383 CB VAL A 34 1.856 9.067 4.602 1.00 0.00 C ATOM 384 CG1 VAL A 34 0.747 10.093 4.419 1.00 0.00 C ATOM 385 CG2 VAL A 34 3.113 9.725 5.155 1.00 0.00 C ATOM 0 H VAL A 34 3.366 7.227 5.360 1.00 0.00 H new ATOM 0 HA VAL A 34 1.016 8.333 6.457 1.00 0.00 H new ATOM 0 HB VAL A 34 2.093 8.646 3.625 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.096 10.894 3.767 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.122 9.613 3.970 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.472 10.508 5.389 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.423 10.532 4.492 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.906 10.129 6.146 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.911 8.985 5.224 1.00 0.00 H new ATOM 395 N PHE A 35 0.593 5.998 4.236 1.00 0.00 N ATOM 396 CA PHE A 35 -0.396 5.174 3.538 1.00 0.00 C ATOM 397 C PHE A 35 -0.869 3.998 4.399 1.00 0.00 C ATOM 398 O PHE A 35 -1.832 3.318 4.044 1.00 0.00 O ATOM 399 CB PHE A 35 0.183 4.644 2.223 1.00 0.00 C ATOM 400 CG PHE A 35 0.968 5.666 1.445 1.00 0.00 C ATOM 401 CD1 PHE A 35 0.327 6.730 0.830 1.00 0.00 C ATOM 402 CD2 PHE A 35 2.345 5.561 1.330 1.00 0.00 C ATOM 403 CE1 PHE A 35 1.044 7.670 0.117 1.00 0.00 C ATOM 404 CE2 PHE A 35 3.068 6.498 0.617 1.00 0.00 C ATOM 405 CZ PHE A 35 2.417 7.554 0.010 1.00 0.00 C ATOM 0 H PHE A 35 1.539 5.617 4.225 1.00 0.00 H new ATOM 0 HA PHE A 35 -1.256 5.810 3.330 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.828 3.792 2.439 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -0.633 4.276 1.601 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -0.746 6.825 0.909 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.859 4.737 1.803 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.533 8.495 -0.357 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.141 6.405 0.534 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.980 8.288 -0.547 1.00 0.00 H new ATOM 415 N ILE A 36 -0.194 3.756 5.527 1.00 0.00 N ATOM 416 CA ILE A 36 -0.567 2.655 6.416 1.00 0.00 C ATOM 417 C ILE A 36 -1.919 2.911 7.082 1.00 0.00 C ATOM 418 O ILE A 36 -2.722 1.993 7.232 1.00 0.00 O ATOM 419 CB ILE A 36 0.500 2.405 7.507 1.00 0.00 C ATOM 420 CG1 ILE A 36 1.867 2.145 6.869 1.00 0.00 C ATOM 421 CG2 ILE A 36 0.095 1.231 8.393 1.00 0.00 C ATOM 422 CD1 ILE A 36 2.965 1.877 7.877 1.00 0.00 C ATOM 0 H ILE A 36 0.607 4.303 5.843 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.638 1.766 5.790 1.00 0.00 H new ATOM 0 HB ILE A 36 0.572 3.298 8.128 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.788 1.292 6.195 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.145 3.006 6.262 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.858 1.070 9.155 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.858 1.450 8.874 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.005 0.333 7.784 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.905 1.702 7.353 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.072 2.739 8.536 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.709 0.998 8.468 1.00 0.00 H new ATOM 434 N GLN A 37 -2.164 4.161 7.476 1.00 0.00 N ATOM 435 CA GLN A 37 -3.421 4.531 8.125 1.00 0.00 C ATOM 436 C GLN A 37 -4.229 5.474 7.236 1.00 0.00 C ATOM 437 O GLN A 37 -3.760 6.553 6.873 1.00 0.00 O ATOM 438 CB GLN A 37 -3.147 5.207 9.472 1.00 0.00 C ATOM 439 CG GLN A 37 -2.451 4.314 10.485 1.00 0.00 C ATOM 440 CD GLN A 37 -2.113 5.046 11.771 1.00 0.00 C ATOM 441 OE1 GLN A 37 -1.264 5.938 11.785 1.00 0.00 O ATOM 442 NE2 GLN A 37 -2.776 4.673 12.861 1.00 0.00 N ATOM 0 H GLN A 37 -1.509 4.934 7.357 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.997 3.620 8.291 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.535 6.093 9.304 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -4.092 5.548 9.894 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.091 3.462 10.713 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.536 3.917 10.046 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.472 3.929 12.805 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.589 5.131 13.753 1.00 0.00 H new ATOM 451 N LEU A 38 -5.448 5.061 6.887 1.00 0.00 N ATOM 452 CA LEU A 38 -6.319 5.872 6.039 1.00 0.00 C ATOM 453 C LEU A 38 -7.420 6.540 6.864 1.00 0.00 C ATOM 454 O LEU A 38 -8.193 5.859 7.540 1.00 0.00 O ATOM 455 CB LEU A 38 -6.943 5.007 4.941 1.00 0.00 C ATOM 456 CG LEU A 38 -7.359 5.760 3.675 1.00 0.00 C ATOM 457 CD1 LEU A 38 -6.391 5.470 2.538 1.00 0.00 C ATOM 458 CD2 LEU A 38 -8.780 5.388 3.277 1.00 0.00 C ATOM 0 H LEU A 38 -5.853 4.171 7.178 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.712 6.652 5.580 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.231 4.230 4.664 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.820 4.505 5.350 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.329 6.829 3.885 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.703 6.014 1.647 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.388 5.787 2.824 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.387 4.401 2.327 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.060 5.932 2.375 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.836 4.316 3.086 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.464 5.648 4.085 1.00 0.00 H new ATOM 470 N PRO A 39 -7.503 7.889 6.822 1.00 0.00 N ATOM 471 CA PRO A 39 -8.515 8.651 7.570 1.00 0.00 C ATOM 472 C PRO A 39 -9.946 8.288 7.161 1.00 0.00 C ATOM 473 O PRO A 39 -10.162 7.383 6.352 1.00 0.00 O ATOM 474 CB PRO A 39 -8.210 10.114 7.215 1.00 0.00 C ATOM 475 CG PRO A 39 -6.805 10.108 6.718 1.00 0.00 C ATOM 476 CD PRO A 39 -6.615 8.779 6.048 1.00 0.00 C ATOM 0 HA PRO A 39 -8.464 8.441 8.638 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.896 10.486 6.454 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -8.318 10.762 8.085 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -6.634 10.927 6.019 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.099 10.237 7.539 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -6.896 8.814 4.995 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -5.577 8.450 6.090 1.00 0.00 H new ATOM 484 N SER A 40 -10.919 9.000 7.729 1.00 0.00 N ATOM 485 CA SER A 40 -12.329 8.751 7.435 1.00 0.00 C ATOM 486 C SER A 40 -12.809 9.573 6.238 1.00 0.00 C ATOM 487 O SER A 40 -12.226 10.608 5.908 1.00 0.00 O ATOM 488 CB SER A 40 -13.187 9.075 8.663 1.00 0.00 C ATOM 489 OG SER A 40 -12.694 8.423 9.821 1.00 0.00 O ATOM 0 H SER A 40 -10.756 9.754 8.396 1.00 0.00 H new ATOM 0 HA SER A 40 -12.433 7.696 7.183 1.00 0.00 H new ATOM 0 HB2 SER A 40 -13.199 10.153 8.827 1.00 0.00 H new ATOM 0 HB3 SER A 40 -14.217 8.769 8.481 1.00 0.00 H new ATOM 0 HG SER A 40 -13.259 8.649 10.589 1.00 0.00 H new ATOM 495 N ARG A 41 -13.883 9.102 5.599 1.00 0.00 N ATOM 496 CA ARG A 41 -14.458 9.790 4.442 1.00 0.00 C ATOM 497 C ARG A 41 -14.839 11.226 4.796 1.00 0.00 C ATOM 498 O ARG A 41 -14.723 12.124 3.965 1.00 0.00 O ATOM 499 CB ARG A 41 -15.688 9.035 3.921 1.00 0.00 C ATOM 500 CG ARG A 41 -16.315 9.661 2.681 1.00 0.00 C ATOM 501 CD ARG A 41 -17.710 9.111 2.422 1.00 0.00 C ATOM 502 NE ARG A 41 -17.754 8.247 1.241 1.00 0.00 N ATOM 503 CZ ARG A 41 -18.880 7.756 0.717 1.00 0.00 C ATOM 504 NH1 ARG A 41 -20.060 8.039 1.265 1.00 0.00 N ATOM 505 NH2 ARG A 41 -18.827 6.978 -0.359 1.00 0.00 N ATOM 0 H ARG A 41 -14.372 8.247 5.864 1.00 0.00 H new ATOM 0 HA ARG A 41 -13.702 9.815 3.658 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -15.403 8.008 3.693 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -16.437 8.990 4.712 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -16.367 10.743 2.805 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -15.681 9.469 1.815 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -18.045 8.549 3.294 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -18.406 9.939 2.290 1.00 0.00 H new ATOM 0 HE ARG A 41 -16.871 8.005 0.791 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -20.109 8.635 2.091 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -20.915 7.660 0.858 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -17.927 6.756 -0.784 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -19.687 6.603 -0.760 1.00 0.00 H new ATOM 519 N LYS A 42 -15.289 11.438 6.033 1.00 0.00 N ATOM 520 CA LYS A 42 -15.676 12.772 6.489 1.00 0.00 C ATOM 521 C LYS A 42 -14.468 13.711 6.521 1.00 0.00 C ATOM 522 O LYS A 42 -14.601 14.909 6.268 1.00 0.00 O ATOM 523 CB LYS A 42 -16.319 12.700 7.876 1.00 0.00 C ATOM 524 CG LYS A 42 -17.818 12.456 7.837 1.00 0.00 C ATOM 525 CD LYS A 42 -18.507 12.973 9.091 1.00 0.00 C ATOM 526 CE LYS A 42 -18.413 11.973 10.235 1.00 0.00 C ATOM 527 NZ LYS A 42 -19.718 11.308 10.510 1.00 0.00 N ATOM 0 H LYS A 42 -15.394 10.705 6.735 1.00 0.00 H new ATOM 0 HA LYS A 42 -16.404 13.169 5.782 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -15.844 11.902 8.447 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -16.124 13.632 8.407 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -18.243 12.945 6.961 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -18.010 11.388 7.731 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -18.053 13.917 9.394 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -19.555 13.179 8.872 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -17.666 11.217 9.994 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -18.071 12.484 11.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -19.606 10.636 11.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -20.426 12.025 10.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -20.033 10.798 9.660 1.00 0.00 H new ATOM 541 N GLU A 43 -13.292 13.160 6.829 1.00 0.00 N ATOM 542 CA GLU A 43 -12.063 13.949 6.887 1.00 0.00 C ATOM 543 C GLU A 43 -11.585 14.319 5.484 1.00 0.00 C ATOM 544 O GLU A 43 -11.190 15.459 5.236 1.00 0.00 O ATOM 545 CB GLU A 43 -10.962 13.183 7.629 1.00 0.00 C ATOM 546 CG GLU A 43 -11.407 12.581 8.956 1.00 0.00 C ATOM 547 CD GLU A 43 -10.348 12.684 10.042 1.00 0.00 C ATOM 548 OE1 GLU A 43 -9.144 12.635 9.712 1.00 0.00 O ATOM 549 OE2 GLU A 43 -10.727 12.809 11.227 1.00 0.00 O ATOM 0 H GLU A 43 -13.166 12.170 7.042 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.282 14.867 7.433 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.594 12.384 6.986 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.125 13.857 7.811 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -12.313 13.085 9.291 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.663 11.532 8.805 1.00 0.00 H new ATOM 556 N LEU A 44 -11.623 13.350 4.567 1.00 0.00 N ATOM 557 CA LEU A 44 -11.194 13.580 3.189 1.00 0.00 C ATOM 558 C LEU A 44 -12.230 13.060 2.188 1.00 0.00 C ATOM 559 O LEU A 44 -11.978 12.100 1.458 1.00 0.00 O ATOM 560 CB LEU A 44 -9.829 12.926 2.924 1.00 0.00 C ATOM 561 CG LEU A 44 -9.544 11.630 3.694 1.00 0.00 C ATOM 562 CD1 LEU A 44 -10.482 10.516 3.249 1.00 0.00 C ATOM 563 CD2 LEU A 44 -8.094 11.213 3.504 1.00 0.00 C ATOM 0 H LEU A 44 -11.946 12.401 4.755 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.099 14.657 3.053 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.750 12.717 1.857 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -9.049 13.648 3.166 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.719 11.816 4.754 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -10.260 9.608 3.809 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -11.514 10.814 3.434 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.344 10.328 2.184 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.905 10.292 4.056 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.899 11.048 2.444 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.437 12.000 3.876 1.00 0.00 H new ATOM 575 N PRO A 45 -13.416 13.697 2.133 1.00 0.00 N ATOM 576 CA PRO A 45 -14.484 13.297 1.208 1.00 0.00 C ATOM 577 C PRO A 45 -14.016 13.273 -0.247 1.00 0.00 C ATOM 578 O PRO A 45 -14.464 12.443 -1.037 1.00 0.00 O ATOM 579 CB PRO A 45 -15.556 14.373 1.405 1.00 0.00 C ATOM 580 CG PRO A 45 -15.296 14.922 2.766 1.00 0.00 C ATOM 581 CD PRO A 45 -13.807 14.857 2.956 1.00 0.00 C ATOM 0 HA PRO A 45 -14.836 12.286 1.412 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -15.482 15.150 0.644 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -16.558 13.951 1.333 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -15.656 15.947 2.849 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -15.813 14.339 3.528 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -13.318 15.772 2.622 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -13.540 14.717 4.003 1.00 0.00 H new ATOM 589 N GLU A 46 -13.104 14.187 -0.589 1.00 0.00 N ATOM 590 CA GLU A 46 -12.570 14.271 -1.948 1.00 0.00 C ATOM 591 C GLU A 46 -11.814 12.996 -2.329 1.00 0.00 C ATOM 592 O GLU A 46 -11.800 12.607 -3.496 1.00 0.00 O ATOM 593 CB GLU A 46 -11.653 15.493 -2.095 1.00 0.00 C ATOM 594 CG GLU A 46 -10.480 15.512 -1.124 1.00 0.00 C ATOM 595 CD GLU A 46 -10.695 16.470 0.032 1.00 0.00 C ATOM 596 OE1 GLU A 46 -10.630 17.697 -0.192 1.00 0.00 O ATOM 597 OE2 GLU A 46 -10.929 15.993 1.161 1.00 0.00 O ATOM 0 H GLU A 46 -12.721 14.878 0.057 1.00 0.00 H new ATOM 0 HA GLU A 46 -13.415 14.381 -2.628 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.267 15.524 -3.114 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.245 16.397 -1.951 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.320 14.507 -0.733 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.574 15.793 -1.660 1.00 0.00 H new ATOM 604 N TYR A 47 -11.191 12.348 -1.344 1.00 0.00 N ATOM 605 CA TYR A 47 -10.442 11.115 -1.588 1.00 0.00 C ATOM 606 C TYR A 47 -11.352 10.032 -2.167 1.00 0.00 C ATOM 607 O TYR A 47 -11.015 9.399 -3.169 1.00 0.00 O ATOM 608 CB TYR A 47 -9.795 10.615 -0.293 1.00 0.00 C ATOM 609 CG TYR A 47 -8.362 10.158 -0.461 1.00 0.00 C ATOM 610 CD1 TYR A 47 -8.059 8.999 -1.164 1.00 0.00 C ATOM 611 CD2 TYR A 47 -7.313 10.884 0.088 1.00 0.00 C ATOM 612 CE1 TYR A 47 -6.752 8.578 -1.317 1.00 0.00 C ATOM 613 CE2 TYR A 47 -6.003 10.470 -0.061 1.00 0.00 C ATOM 614 CZ TYR A 47 -5.728 9.316 -0.764 1.00 0.00 C ATOM 615 OH TYR A 47 -4.424 8.900 -0.914 1.00 0.00 O ATOM 0 H TYR A 47 -11.190 12.656 -0.372 1.00 0.00 H new ATOM 0 HA TYR A 47 -9.658 11.335 -2.313 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.827 11.413 0.449 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -10.386 9.788 0.101 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -8.859 8.417 -1.598 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -7.525 11.787 0.641 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.534 7.675 -1.867 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.199 11.047 0.371 1.00 0.00 H new ATOM 0 HH TYR A 47 -3.825 9.533 -0.465 1.00 0.00 H new ATOM 625 N TYR A 48 -12.505 9.825 -1.530 1.00 0.00 N ATOM 626 CA TYR A 48 -13.465 8.818 -1.982 1.00 0.00 C ATOM 627 C TYR A 48 -14.044 9.180 -3.351 1.00 0.00 C ATOM 628 O TYR A 48 -14.248 8.309 -4.196 1.00 0.00 O ATOM 629 CB TYR A 48 -14.598 8.660 -0.964 1.00 0.00 C ATOM 630 CG TYR A 48 -14.196 7.900 0.282 1.00 0.00 C ATOM 631 CD1 TYR A 48 -13.335 8.464 1.218 1.00 0.00 C ATOM 632 CD2 TYR A 48 -14.678 6.618 0.526 1.00 0.00 C ATOM 633 CE1 TYR A 48 -12.966 7.774 2.355 1.00 0.00 C ATOM 634 CE2 TYR A 48 -14.314 5.923 1.664 1.00 0.00 C ATOM 635 CZ TYR A 48 -13.458 6.506 2.575 1.00 0.00 C ATOM 636 OH TYR A 48 -13.094 5.817 3.710 1.00 0.00 O ATOM 0 H TYR A 48 -12.797 10.341 -0.700 1.00 0.00 H new ATOM 0 HA TYR A 48 -12.933 7.871 -2.073 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -14.956 9.648 -0.676 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -15.432 8.145 -1.440 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -12.949 9.459 1.052 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -15.348 6.158 -0.186 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.294 8.226 3.069 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -14.698 4.929 1.839 1.00 0.00 H new ATOM 0 HH TYR A 48 -13.529 4.939 3.713 1.00 0.00 H new ATOM 646 N GLU A 49 -14.309 10.471 -3.560 1.00 0.00 N ATOM 647 CA GLU A 49 -14.865 10.945 -4.827 1.00 0.00 C ATOM 648 C GLU A 49 -13.812 10.918 -5.936 1.00 0.00 C ATOM 649 O GLU A 49 -14.136 10.700 -7.105 1.00 0.00 O ATOM 650 CB GLU A 49 -15.419 12.365 -4.670 1.00 0.00 C ATOM 651 CG GLU A 49 -16.403 12.515 -3.518 1.00 0.00 C ATOM 652 CD GLU A 49 -17.713 13.150 -3.944 1.00 0.00 C ATOM 653 OE1 GLU A 49 -18.478 12.495 -4.685 1.00 0.00 O ATOM 654 OE2 GLU A 49 -17.974 14.302 -3.539 1.00 0.00 O ATOM 0 H GLU A 49 -14.148 11.205 -2.870 1.00 0.00 H new ATOM 0 HA GLU A 49 -15.677 10.273 -5.107 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.589 13.055 -4.519 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -15.912 12.658 -5.597 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -16.603 11.534 -3.087 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -15.948 13.121 -2.734 1.00 0.00 H new ATOM 661 N LEU A 50 -12.552 11.143 -5.563 1.00 0.00 N ATOM 662 CA LEU A 50 -11.451 11.147 -6.521 1.00 0.00 C ATOM 663 C LEU A 50 -11.041 9.721 -6.891 1.00 0.00 C ATOM 664 O LEU A 50 -11.174 9.304 -8.042 1.00 0.00 O ATOM 665 CB LEU A 50 -10.254 11.911 -5.943 1.00 0.00 C ATOM 666 CG LEU A 50 -9.183 12.319 -6.959 1.00 0.00 C ATOM 667 CD1 LEU A 50 -9.085 13.835 -7.051 1.00 0.00 C ATOM 668 CD2 LEU A 50 -7.836 11.715 -6.586 1.00 0.00 C ATOM 0 H LEU A 50 -12.270 11.325 -4.600 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.789 11.648 -7.428 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.623 12.810 -5.448 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.787 11.294 -5.176 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.471 11.935 -7.937 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.319 14.107 -7.777 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -10.045 14.243 -7.366 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -8.820 14.242 -6.075 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.087 12.015 -7.319 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.540 12.069 -5.598 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.916 10.628 -6.573 1.00 0.00 H new ATOM 680 N ILE A 51 -10.546 8.981 -5.902 1.00 0.00 N ATOM 681 CA ILE A 51 -10.117 7.602 -6.106 1.00 0.00 C ATOM 682 C ILE A 51 -11.225 6.624 -5.715 1.00 0.00 C ATOM 683 O ILE A 51 -11.922 6.827 -4.720 1.00 0.00 O ATOM 684 CB ILE A 51 -8.840 7.284 -5.295 1.00 0.00 C ATOM 685 CG1 ILE A 51 -7.736 8.296 -5.619 1.00 0.00 C ATOM 686 CG2 ILE A 51 -8.364 5.865 -5.578 1.00 0.00 C ATOM 687 CD1 ILE A 51 -7.169 8.988 -4.397 1.00 0.00 C ATOM 0 H ILE A 51 -10.432 9.317 -4.946 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.895 7.487 -7.167 1.00 0.00 H new ATOM 0 HB ILE A 51 -9.078 7.359 -4.234 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.929 7.785 -6.144 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.133 9.048 -6.301 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.464 5.661 -4.998 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.144 5.157 -5.299 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.142 5.761 -6.640 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -6.393 9.690 -4.703 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -7.964 9.528 -3.883 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.741 8.245 -3.724 1.00 0.00 H new ATOM 699 N ARG A 52 -11.382 5.567 -6.513 1.00 0.00 N ATOM 700 CA ARG A 52 -12.409 4.551 -6.267 1.00 0.00 C ATOM 701 C ARG A 52 -12.130 3.776 -4.976 1.00 0.00 C ATOM 702 O ARG A 52 -11.614 2.658 -5.013 1.00 0.00 O ATOM 703 CB ARG A 52 -12.492 3.581 -7.454 1.00 0.00 C ATOM 704 CG ARG A 52 -13.480 4.010 -8.529 1.00 0.00 C ATOM 705 CD ARG A 52 -14.120 2.810 -9.216 1.00 0.00 C ATOM 706 NE ARG A 52 -15.562 2.983 -9.390 1.00 0.00 N ATOM 707 CZ ARG A 52 -16.458 2.815 -8.413 1.00 0.00 C ATOM 708 NH1 ARG A 52 -16.064 2.487 -7.185 1.00 0.00 N ATOM 709 NH2 ARG A 52 -17.752 2.983 -8.665 1.00 0.00 N ATOM 0 H ARG A 52 -10.809 5.391 -7.338 1.00 0.00 H new ATOM 0 HA ARG A 52 -13.364 5.063 -6.154 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.503 3.483 -7.901 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.775 2.595 -7.086 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.257 4.631 -8.083 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -12.968 4.624 -9.270 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -13.653 2.658 -10.189 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -13.931 1.912 -8.628 1.00 0.00 H new ATOM 0 HE ARG A 52 -15.905 3.248 -10.313 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -15.072 2.362 -6.984 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -16.754 2.361 -6.445 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -18.060 3.240 -9.603 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -18.437 2.855 -7.920 1.00 0.00 H new ATOM 723 N LYS A 53 -12.484 4.381 -3.838 1.00 0.00 N ATOM 724 CA LYS A 53 -12.286 3.762 -2.526 1.00 0.00 C ATOM 725 C LYS A 53 -10.807 3.466 -2.264 1.00 0.00 C ATOM 726 O LYS A 53 -10.286 2.431 -2.681 1.00 0.00 O ATOM 727 CB LYS A 53 -13.113 2.478 -2.408 1.00 0.00 C ATOM 728 CG LYS A 53 -14.034 2.455 -1.195 1.00 0.00 C ATOM 729 CD LYS A 53 -15.456 2.848 -1.565 1.00 0.00 C ATOM 730 CE LYS A 53 -16.432 2.550 -0.435 1.00 0.00 C ATOM 731 NZ LYS A 53 -17.477 3.607 -0.302 1.00 0.00 N ATOM 0 H LYS A 53 -12.912 5.306 -3.801 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.625 4.471 -1.771 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.712 2.357 -3.311 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -12.437 1.624 -2.357 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -14.034 1.457 -0.756 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -13.653 3.137 -0.435 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -15.490 3.911 -1.805 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -15.761 2.309 -2.462 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -16.911 1.588 -0.615 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -15.884 2.463 0.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -18.119 3.364 0.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -17.023 4.521 -0.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -18.018 3.674 -1.188 1.00 0.00 H new ATOM 745 N PRO A 54 -10.108 4.379 -1.562 1.00 0.00 N ATOM 746 CA PRO A 54 -8.684 4.213 -1.244 1.00 0.00 C ATOM 747 C PRO A 54 -8.444 3.126 -0.198 1.00 0.00 C ATOM 748 O PRO A 54 -9.276 2.904 0.684 1.00 0.00 O ATOM 749 CB PRO A 54 -8.284 5.584 -0.699 1.00 0.00 C ATOM 750 CG PRO A 54 -9.544 6.149 -0.140 1.00 0.00 C ATOM 751 CD PRO A 54 -10.650 5.644 -1.026 1.00 0.00 C ATOM 0 HA PRO A 54 -8.104 3.899 -2.112 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -7.514 5.496 0.068 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.879 6.220 -1.486 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.692 5.828 0.891 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.515 7.239 -0.134 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.571 5.481 -0.466 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.882 6.351 -1.822 1.00 0.00 H new ATOM 759 N VAL A 55 -7.299 2.452 -0.303 1.00 0.00 N ATOM 760 CA VAL A 55 -6.940 1.386 0.630 1.00 0.00 C ATOM 761 C VAL A 55 -5.618 1.696 1.333 1.00 0.00 C ATOM 762 O VAL A 55 -4.758 2.383 0.780 1.00 0.00 O ATOM 763 CB VAL A 55 -6.836 0.022 -0.093 1.00 0.00 C ATOM 764 CG1 VAL A 55 -5.731 0.047 -1.140 1.00 0.00 C ATOM 765 CG2 VAL A 55 -6.612 -1.108 0.906 1.00 0.00 C ATOM 0 H VAL A 55 -6.603 2.627 -1.028 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.733 1.328 1.376 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.781 -0.162 -0.603 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.677 -0.923 -1.635 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.946 0.820 -1.878 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.777 0.262 -0.658 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.542 -2.056 0.373 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.687 -0.931 1.454 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.447 -1.146 1.606 1.00 0.00 H new ATOM 775 N ASP A 56 -5.470 1.187 2.556 1.00 0.00 N ATOM 776 CA ASP A 56 -4.259 1.406 3.346 1.00 0.00 C ATOM 777 C ASP A 56 -3.667 0.077 3.822 1.00 0.00 C ATOM 778 O ASP A 56 -4.272 -0.982 3.636 1.00 0.00 O ATOM 779 CB ASP A 56 -4.567 2.307 4.546 1.00 0.00 C ATOM 780 CG ASP A 56 -5.758 1.822 5.353 1.00 0.00 C ATOM 781 OD1 ASP A 56 -6.899 1.931 4.856 1.00 0.00 O ATOM 782 OD2 ASP A 56 -5.551 1.335 6.480 1.00 0.00 O ATOM 0 H ASP A 56 -6.177 0.618 3.022 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.523 1.899 2.711 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.691 2.356 5.193 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.760 3.320 4.194 1.00 0.00 H new ATOM 787 N PHE A 57 -2.480 0.140 4.431 1.00 0.00 N ATOM 788 CA PHE A 57 -1.798 -1.059 4.930 1.00 0.00 C ATOM 789 C PHE A 57 -2.640 -1.798 5.971 1.00 0.00 C ATOM 790 O PHE A 57 -2.590 -3.025 6.053 1.00 0.00 O ATOM 791 CB PHE A 57 -0.428 -0.698 5.520 1.00 0.00 C ATOM 792 CG PHE A 57 0.485 -1.883 5.699 1.00 0.00 C ATOM 793 CD1 PHE A 57 0.828 -2.683 4.619 1.00 0.00 C ATOM 794 CD2 PHE A 57 0.997 -2.199 6.949 1.00 0.00 C ATOM 795 CE1 PHE A 57 1.664 -3.771 4.782 1.00 0.00 C ATOM 796 CE2 PHE A 57 1.832 -3.287 7.118 1.00 0.00 C ATOM 797 CZ PHE A 57 2.166 -4.075 6.033 1.00 0.00 C ATOM 0 H PHE A 57 -1.970 1.009 4.591 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.654 -1.726 4.080 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.058 0.029 4.869 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.574 -0.214 6.486 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.437 -2.453 3.639 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.740 -1.587 7.801 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.925 -4.384 3.932 1.00 0.00 H new ATOM 0 HE2 PHE A 57 2.223 -3.521 8.097 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.818 -4.926 6.162 1.00 0.00 H new ATOM 807 N LYS A 58 -3.412 -1.052 6.758 1.00 0.00 N ATOM 808 CA LYS A 58 -4.261 -1.656 7.784 1.00 0.00 C ATOM 809 C LYS A 58 -5.434 -2.400 7.153 1.00 0.00 C ATOM 810 O LYS A 58 -5.756 -3.518 7.555 1.00 0.00 O ATOM 811 CB LYS A 58 -4.768 -0.589 8.757 1.00 0.00 C ATOM 812 CG LYS A 58 -3.666 0.310 9.287 1.00 0.00 C ATOM 813 CD LYS A 58 -3.207 -0.130 10.665 1.00 0.00 C ATOM 814 CE LYS A 58 -1.965 0.627 11.110 1.00 0.00 C ATOM 815 NZ LYS A 58 -2.217 1.454 12.323 1.00 0.00 N ATOM 0 H LYS A 58 -3.468 -0.035 6.706 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.660 -2.376 8.339 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.518 0.023 8.256 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.264 -1.078 9.596 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.821 0.296 8.599 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.024 1.339 9.332 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.009 0.031 11.385 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.998 -1.200 10.655 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.163 -0.082 11.316 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.622 1.269 10.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.479 2.182 12.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.147 1.912 12.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.201 0.846 13.167 1.00 0.00 H new ATOM 829 N LYS A 59 -6.062 -1.776 6.158 1.00 0.00 N ATOM 830 CA LYS A 59 -7.199 -2.379 5.459 1.00 0.00 C ATOM 831 C LYS A 59 -6.783 -3.660 4.737 1.00 0.00 C ATOM 832 O LYS A 59 -7.490 -4.666 4.787 1.00 0.00 O ATOM 833 CB LYS A 59 -7.802 -1.389 4.460 1.00 0.00 C ATOM 834 CG LYS A 59 -8.938 -0.557 5.037 1.00 0.00 C ATOM 835 CD LYS A 59 -9.835 0.006 3.946 1.00 0.00 C ATOM 836 CE LYS A 59 -11.084 -0.842 3.758 1.00 0.00 C ATOM 837 NZ LYS A 59 -12.100 -0.160 2.907 1.00 0.00 N ATOM 0 H LYS A 59 -5.803 -0.851 5.816 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.952 -2.633 6.205 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.017 -0.721 4.105 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.169 -1.939 3.593 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.531 -1.171 5.714 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.526 0.261 5.627 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.122 1.027 4.200 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.282 0.054 3.008 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -10.811 -1.794 3.303 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.519 -1.067 4.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.934 -0.772 2.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.381 0.737 3.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.694 0.032 1.969 1.00 0.00 H new ATOM 851 N ILE A 60 -5.630 -3.621 4.069 1.00 0.00 N ATOM 852 CA ILE A 60 -5.128 -4.790 3.349 1.00 0.00 C ATOM 853 C ILE A 60 -4.646 -5.867 4.327 1.00 0.00 C ATOM 854 O ILE A 60 -4.831 -7.061 4.084 1.00 0.00 O ATOM 855 CB ILE A 60 -3.990 -4.415 2.368 1.00 0.00 C ATOM 856 CG1 ILE A 60 -3.588 -5.625 1.521 1.00 0.00 C ATOM 857 CG2 ILE A 60 -2.782 -3.863 3.114 1.00 0.00 C ATOM 858 CD1 ILE A 60 -2.908 -5.254 0.220 1.00 0.00 C ATOM 0 H ILE A 60 -5.030 -2.798 4.012 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.958 -5.188 2.765 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.363 -3.635 1.705 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.919 -6.260 2.103 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.477 -6.216 1.301 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.999 -3.608 2.400 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.073 -2.970 3.667 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.409 -4.615 3.809 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.651 -6.161 -0.328 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.582 -4.645 -0.382 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.000 -4.689 0.432 1.00 0.00 H new ATOM 870 N LYS A 61 -4.031 -5.437 5.433 1.00 0.00 N ATOM 871 CA LYS A 61 -3.525 -6.364 6.448 1.00 0.00 C ATOM 872 C LYS A 61 -4.668 -7.119 7.136 1.00 0.00 C ATOM 873 O LYS A 61 -4.586 -8.333 7.327 1.00 0.00 O ATOM 874 CB LYS A 61 -2.680 -5.618 7.490 1.00 0.00 C ATOM 875 CG LYS A 61 -1.903 -6.534 8.426 1.00 0.00 C ATOM 876 CD LYS A 61 -1.038 -7.526 7.661 1.00 0.00 C ATOM 877 CE LYS A 61 0.079 -8.089 8.530 1.00 0.00 C ATOM 878 NZ LYS A 61 -0.447 -8.856 9.697 1.00 0.00 N ATOM 0 H LYS A 61 -3.872 -4.453 5.648 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.895 -7.094 5.941 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.978 -4.964 6.973 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.334 -4.979 8.083 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -1.273 -5.933 9.082 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.600 -7.077 9.064 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.660 -8.343 7.294 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.607 -7.035 6.788 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.714 -8.738 7.927 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.706 -7.272 8.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.346 -9.277 10.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.976 -8.216 10.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.079 -9.610 9.360 1.00 0.00 H new ATOM 892 N GLU A 62 -5.733 -6.402 7.503 1.00 0.00 N ATOM 893 CA GLU A 62 -6.884 -7.025 8.162 1.00 0.00 C ATOM 894 C GLU A 62 -7.658 -7.910 7.184 1.00 0.00 C ATOM 895 O GLU A 62 -8.201 -8.947 7.571 1.00 0.00 O ATOM 896 CB GLU A 62 -7.811 -5.965 8.777 1.00 0.00 C ATOM 897 CG GLU A 62 -8.352 -4.945 7.778 1.00 0.00 C ATOM 898 CD GLU A 62 -9.688 -5.336 7.165 1.00 0.00 C ATOM 899 OE1 GLU A 62 -10.274 -6.357 7.586 1.00 0.00 O ATOM 900 OE2 GLU A 62 -10.150 -4.616 6.255 1.00 0.00 O ATOM 0 H GLU A 62 -5.823 -5.397 7.356 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.505 -7.653 8.968 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.651 -6.468 9.255 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.269 -5.436 9.560 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.460 -3.982 8.278 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.622 -4.810 6.980 1.00 0.00 H new ATOM 907 N ARG A 63 -7.704 -7.497 5.916 1.00 0.00 N ATOM 908 CA ARG A 63 -8.407 -8.261 4.886 1.00 0.00 C ATOM 909 C ARG A 63 -7.727 -9.607 4.640 1.00 0.00 C ATOM 910 O ARG A 63 -8.391 -10.642 4.568 1.00 0.00 O ATOM 911 CB ARG A 63 -8.480 -7.469 3.576 1.00 0.00 C ATOM 912 CG ARG A 63 -9.696 -6.563 3.472 1.00 0.00 C ATOM 913 CD ARG A 63 -9.869 -6.023 2.059 1.00 0.00 C ATOM 914 NE ARG A 63 -10.745 -6.871 1.250 1.00 0.00 N ATOM 915 CZ ARG A 63 -10.897 -6.741 -0.070 1.00 0.00 C ATOM 916 NH1 ARG A 63 -10.229 -5.804 -0.736 1.00 0.00 N ATOM 917 NH2 ARG A 63 -11.721 -7.552 -0.725 1.00 0.00 N ATOM 0 H ARG A 63 -7.264 -6.641 5.579 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.420 -8.444 5.245 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.579 -6.864 3.478 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -8.487 -8.168 2.740 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -10.589 -7.116 3.763 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.593 -5.732 4.170 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -10.282 -5.015 2.104 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.894 -5.947 1.578 1.00 0.00 H new ATOM 0 HE ARG A 63 -11.271 -7.606 1.723 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -9.595 -5.179 -0.238 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -10.350 -5.711 -1.744 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -12.236 -8.273 -0.219 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -11.838 -7.454 -1.733 1.00 0.00 H new ATOM 931 N ILE A 64 -6.400 -9.584 4.504 1.00 0.00 N ATOM 932 CA ILE A 64 -5.632 -10.804 4.258 1.00 0.00 C ATOM 933 C ILE A 64 -5.746 -11.795 5.422 1.00 0.00 C ATOM 934 O ILE A 64 -5.600 -13.002 5.226 1.00 0.00 O ATOM 935 CB ILE A 64 -4.142 -10.498 3.964 1.00 0.00 C ATOM 936 CG1 ILE A 64 -3.399 -11.772 3.553 1.00 0.00 C ATOM 937 CG2 ILE A 64 -3.466 -9.848 5.163 1.00 0.00 C ATOM 938 CD1 ILE A 64 -2.105 -11.507 2.813 1.00 0.00 C ATOM 0 H ILE A 64 -5.837 -8.736 4.560 1.00 0.00 H new ATOM 0 HA ILE A 64 -6.067 -11.267 3.372 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.104 -9.793 3.134 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.184 -12.361 4.445 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -4.051 -12.376 2.922 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.422 -9.645 4.926 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.972 -8.913 5.403 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.520 -10.520 6.020 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.634 -12.455 2.554 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.315 -10.945 1.903 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.434 -10.930 3.449 1.00 0.00 H new ATOM 950 N ARG A 65 -6.016 -11.286 6.630 1.00 0.00 N ATOM 951 CA ARG A 65 -6.158 -12.143 7.811 1.00 0.00 C ATOM 952 C ARG A 65 -7.208 -13.235 7.575 1.00 0.00 C ATOM 953 O ARG A 65 -7.091 -14.340 8.104 1.00 0.00 O ATOM 954 CB ARG A 65 -6.542 -11.315 9.043 1.00 0.00 C ATOM 955 CG ARG A 65 -5.348 -10.744 9.794 1.00 0.00 C ATOM 956 CD ARG A 65 -5.410 -11.080 11.278 1.00 0.00 C ATOM 957 NE ARG A 65 -6.214 -10.113 12.029 1.00 0.00 N ATOM 958 CZ ARG A 65 -6.967 -10.426 13.088 1.00 0.00 C ATOM 959 NH1 ARG A 65 -7.027 -11.678 13.534 1.00 0.00 N ATOM 960 NH2 ARG A 65 -7.665 -9.478 13.706 1.00 0.00 N ATOM 0 H ARG A 65 -6.140 -10.290 6.814 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.193 -12.617 7.990 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -7.189 -10.495 8.731 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -7.122 -11.939 9.722 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.426 -11.140 9.368 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -5.320 -9.662 9.666 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.830 -12.077 11.406 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.400 -11.105 11.686 1.00 0.00 H new ATOM 0 HE ARG A 65 -6.198 -9.140 11.725 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.495 -12.412 13.067 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -7.605 -11.904 14.343 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -7.625 -8.515 13.372 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.241 -9.714 14.514 1.00 0.00 H new ATOM 974 N ASN A 66 -8.225 -12.918 6.771 1.00 0.00 N ATOM 975 CA ASN A 66 -9.289 -13.871 6.455 1.00 0.00 C ATOM 976 C ASN A 66 -8.991 -14.633 5.155 1.00 0.00 C ATOM 977 O ASN A 66 -9.875 -15.288 4.599 1.00 0.00 O ATOM 978 CB ASN A 66 -10.633 -13.144 6.336 1.00 0.00 C ATOM 979 CG ASN A 66 -11.077 -12.519 7.645 1.00 0.00 C ATOM 980 OD1 ASN A 66 -10.758 -11.364 7.932 1.00 0.00 O ATOM 981 ND2 ASN A 66 -11.814 -13.279 8.448 1.00 0.00 N ATOM 0 H ASN A 66 -8.333 -12.006 6.326 1.00 0.00 H new ATOM 0 HA ASN A 66 -9.340 -14.595 7.269 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -10.556 -12.368 5.575 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -11.394 -13.848 5.997 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -12.139 -12.911 9.342 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -12.055 -14.230 8.170 1.00 0.00 H new ATOM 988 N HIS A 67 -7.747 -14.532 4.670 1.00 0.00 N ATOM 989 CA HIS A 67 -7.330 -15.195 3.435 1.00 0.00 C ATOM 990 C HIS A 67 -7.973 -14.531 2.214 1.00 0.00 C ATOM 991 O HIS A 67 -8.457 -15.209 1.305 1.00 0.00 O ATOM 992 CB HIS A 67 -7.667 -16.690 3.474 1.00 0.00 C ATOM 993 CG HIS A 67 -6.531 -17.564 3.038 1.00 0.00 C ATOM 994 ND1 HIS A 67 -5.679 -18.188 3.924 1.00 0.00 N ATOM 995 CD2 HIS A 67 -6.102 -17.909 1.800 1.00 0.00 C ATOM 996 CE1 HIS A 67 -4.775 -18.878 3.251 1.00 0.00 C ATOM 997 NE2 HIS A 67 -5.008 -18.725 1.960 1.00 0.00 N ATOM 0 H HIS A 67 -7.009 -13.992 5.121 1.00 0.00 H new ATOM 0 HA HIS A 67 -6.248 -15.092 3.350 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -7.959 -16.964 4.488 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -8.528 -16.878 2.833 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -6.539 -17.600 0.862 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.980 -19.467 3.684 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -4.465 -19.144 1.205 1.00 0.00 H new ATOM 1006 N LYS A 68 -7.964 -13.198 2.198 1.00 0.00 N ATOM 1007 CA LYS A 68 -8.534 -12.443 1.085 1.00 0.00 C ATOM 1008 C LYS A 68 -7.560 -12.387 -0.090 1.00 0.00 C ATOM 1009 O LYS A 68 -7.963 -12.525 -1.245 1.00 0.00 O ATOM 1010 CB LYS A 68 -8.900 -11.023 1.529 1.00 0.00 C ATOM 1011 CG LYS A 68 -10.290 -10.916 2.140 1.00 0.00 C ATOM 1012 CD LYS A 68 -11.333 -10.539 1.098 1.00 0.00 C ATOM 1013 CE LYS A 68 -12.145 -11.748 0.652 1.00 0.00 C ATOM 1014 NZ LYS A 68 -13.549 -11.386 0.299 1.00 0.00 N ATOM 0 H LYS A 68 -7.569 -12.621 2.941 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.440 -12.956 0.761 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.165 -10.678 2.256 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -8.837 -10.355 0.670 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.561 -11.867 2.599 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.282 -10.170 2.934 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -12.002 -9.783 1.509 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.840 -10.093 0.234 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.663 -12.209 -0.210 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -12.153 -12.492 1.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -14.063 -12.240 0.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -14.019 -10.970 1.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -13.544 -10.696 -0.479 1.00 0.00 H new ATOM 1028 N TYR A 69 -6.278 -12.187 0.215 1.00 0.00 N ATOM 1029 CA TYR A 69 -5.247 -12.114 -0.814 1.00 0.00 C ATOM 1030 C TYR A 69 -4.492 -13.436 -0.924 1.00 0.00 C ATOM 1031 O TYR A 69 -3.726 -13.802 -0.031 1.00 0.00 O ATOM 1032 CB TYR A 69 -4.274 -10.971 -0.511 1.00 0.00 C ATOM 1033 CG TYR A 69 -4.866 -9.597 -0.735 1.00 0.00 C ATOM 1034 CD1 TYR A 69 -5.680 -9.006 0.224 1.00 0.00 C ATOM 1035 CD2 TYR A 69 -4.620 -8.895 -1.910 1.00 0.00 C ATOM 1036 CE1 TYR A 69 -6.229 -7.754 0.020 1.00 0.00 C ATOM 1037 CE2 TYR A 69 -5.166 -7.644 -2.120 1.00 0.00 C ATOM 1038 CZ TYR A 69 -5.970 -7.077 -1.152 1.00 0.00 C ATOM 1039 OH TYR A 69 -6.520 -5.832 -1.356 1.00 0.00 O ATOM 0 H TYR A 69 -5.931 -12.073 1.167 1.00 0.00 H new ATOM 0 HA TYR A 69 -5.733 -11.919 -1.770 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -3.944 -11.051 0.525 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -3.389 -11.083 -1.137 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -5.887 -9.533 1.143 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -3.992 -9.335 -2.670 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -6.858 -7.308 0.776 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -4.965 -7.112 -3.038 1.00 0.00 H new ATOM 0 HH TYR A 69 -6.638 -5.680 -2.317 1.00 0.00 H new ATOM 1049 N ARG A 70 -4.720 -14.147 -2.027 1.00 0.00 N ATOM 1050 CA ARG A 70 -4.066 -15.433 -2.269 1.00 0.00 C ATOM 1051 C ARG A 70 -2.921 -15.286 -3.268 1.00 0.00 C ATOM 1052 O ARG A 70 -1.812 -15.767 -3.029 1.00 0.00 O ATOM 1053 CB ARG A 70 -5.081 -16.454 -2.791 1.00 0.00 C ATOM 1054 CG ARG A 70 -5.717 -17.298 -1.699 1.00 0.00 C ATOM 1055 CD ARG A 70 -6.628 -18.368 -2.281 1.00 0.00 C ATOM 1056 NE ARG A 70 -5.879 -19.543 -2.732 1.00 0.00 N ATOM 1057 CZ ARG A 70 -5.460 -20.519 -1.922 1.00 0.00 C ATOM 1058 NH1 ARG A 70 -5.723 -20.475 -0.618 1.00 0.00 N ATOM 1059 NH2 ARG A 70 -4.780 -21.548 -2.419 1.00 0.00 N ATOM 0 H ARG A 70 -5.355 -13.854 -2.770 1.00 0.00 H new ATOM 0 HA ARG A 70 -3.656 -15.785 -1.323 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.866 -15.928 -3.334 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.586 -17.113 -3.505 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.937 -17.769 -1.101 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.289 -16.657 -1.029 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -7.358 -18.670 -1.530 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -7.187 -17.951 -3.119 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.664 -19.621 -3.726 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.248 -19.692 -0.230 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.399 -21.225 -0.007 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.579 -21.592 -3.418 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.460 -22.294 -1.801 1.00 0.00 H new ATOM 1073 N SER A 71 -3.202 -14.623 -4.389 1.00 0.00 N ATOM 1074 CA SER A 71 -2.201 -14.411 -5.431 1.00 0.00 C ATOM 1075 C SER A 71 -1.407 -13.131 -5.178 1.00 0.00 C ATOM 1076 O SER A 71 -1.964 -12.118 -4.749 1.00 0.00 O ATOM 1077 CB SER A 71 -2.873 -14.347 -6.807 1.00 0.00 C ATOM 1078 OG SER A 71 -3.842 -15.373 -6.953 1.00 0.00 O ATOM 0 H SER A 71 -4.117 -14.223 -4.598 1.00 0.00 H new ATOM 0 HA SER A 71 -1.509 -15.253 -5.410 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.347 -13.374 -6.938 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.118 -14.442 -7.588 1.00 0.00 H new ATOM 0 HG SER A 71 -4.256 -15.308 -7.839 1.00 0.00 H new ATOM 1084 N LEU A 72 -0.103 -13.184 -5.449 1.00 0.00 N ATOM 1085 CA LEU A 72 0.776 -12.029 -5.253 1.00 0.00 C ATOM 1086 C LEU A 72 0.429 -10.893 -6.218 1.00 0.00 C ATOM 1087 O LEU A 72 0.604 -9.719 -5.889 1.00 0.00 O ATOM 1088 CB LEU A 72 2.243 -12.435 -5.432 1.00 0.00 C ATOM 1089 CG LEU A 72 3.239 -11.698 -4.532 1.00 0.00 C ATOM 1090 CD1 LEU A 72 3.013 -12.058 -3.071 1.00 0.00 C ATOM 1091 CD2 LEU A 72 4.669 -12.016 -4.947 1.00 0.00 C ATOM 0 H LEU A 72 0.369 -14.015 -5.805 1.00 0.00 H new ATOM 0 HA LEU A 72 0.626 -11.669 -4.235 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.332 -13.505 -5.245 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.525 -12.268 -6.472 1.00 0.00 H new ATOM 0 HG LEU A 72 3.077 -10.626 -4.648 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.731 -11.523 -2.449 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.001 -11.777 -2.779 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.145 -13.132 -2.936 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.363 -11.484 -4.297 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.842 -13.089 -4.862 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.826 -11.703 -5.979 1.00 0.00 H new ATOM 1103 N ASN A 73 -0.065 -11.248 -7.406 1.00 0.00 N ATOM 1104 CA ASN A 73 -0.439 -10.257 -8.414 1.00 0.00 C ATOM 1105 C ASN A 73 -1.486 -9.287 -7.865 1.00 0.00 C ATOM 1106 O ASN A 73 -1.391 -8.077 -8.074 1.00 0.00 O ATOM 1107 CB ASN A 73 -0.981 -10.945 -9.674 1.00 0.00 C ATOM 1108 CG ASN A 73 -0.535 -10.258 -10.954 1.00 0.00 C ATOM 1109 OD1 ASN A 73 0.308 -9.363 -10.932 1.00 0.00 O ATOM 1110 ND2 ASN A 73 -1.104 -10.674 -12.082 1.00 0.00 N ATOM 0 H ASN A 73 -0.215 -12.215 -7.693 1.00 0.00 H new ATOM 0 HA ASN A 73 0.457 -9.694 -8.674 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -0.648 -11.983 -9.688 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.070 -10.960 -9.635 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -0.845 -10.247 -12.971 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.800 -11.420 -12.058 1.00 0.00 H new ATOM 1117 N ASP A 74 -2.480 -9.829 -7.161 1.00 0.00 N ATOM 1118 CA ASP A 74 -3.543 -9.014 -6.579 1.00 0.00 C ATOM 1119 C ASP A 74 -2.992 -8.082 -5.502 1.00 0.00 C ATOM 1120 O ASP A 74 -3.317 -6.894 -5.473 1.00 0.00 O ATOM 1121 CB ASP A 74 -4.638 -9.906 -5.987 1.00 0.00 C ATOM 1122 CG ASP A 74 -5.976 -9.197 -5.898 1.00 0.00 C ATOM 1123 OD1 ASP A 74 -6.511 -8.803 -6.956 1.00 0.00 O ATOM 1124 OD2 ASP A 74 -6.488 -9.036 -4.770 1.00 0.00 O ATOM 0 H ASP A 74 -2.570 -10.829 -6.981 1.00 0.00 H new ATOM 0 HA ASP A 74 -3.972 -8.405 -7.375 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -4.744 -10.801 -6.600 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -4.337 -10.234 -4.992 1.00 0.00 H new ATOM 1129 N LEU A 75 -2.150 -8.627 -4.624 1.00 0.00 N ATOM 1130 CA LEU A 75 -1.545 -7.843 -3.549 1.00 0.00 C ATOM 1131 C LEU A 75 -0.681 -6.720 -4.121 1.00 0.00 C ATOM 1132 O LEU A 75 -0.774 -5.571 -3.688 1.00 0.00 O ATOM 1133 CB LEU A 75 -0.701 -8.743 -2.640 1.00 0.00 C ATOM 1134 CG LEU A 75 -0.391 -8.161 -1.257 1.00 0.00 C ATOM 1135 CD1 LEU A 75 -1.415 -8.635 -0.235 1.00 0.00 C ATOM 1136 CD2 LEU A 75 1.019 -8.541 -0.822 1.00 0.00 C ATOM 0 H LEU A 75 -1.872 -9.608 -4.637 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.347 -7.399 -2.959 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.221 -9.692 -2.510 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.240 -8.962 -3.144 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.449 -7.074 -1.320 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.178 -8.211 0.741 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.410 -8.311 -0.540 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.391 -9.723 -0.174 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.222 -8.119 0.162 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.106 -9.627 -0.777 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.739 -8.149 -1.540 1.00 0.00 H new ATOM 1148 N GLU A 76 0.152 -7.064 -5.104 1.00 0.00 N ATOM 1149 CA GLU A 76 1.029 -6.089 -5.749 1.00 0.00 C ATOM 1150 C GLU A 76 0.216 -4.960 -6.379 1.00 0.00 C ATOM 1151 O GLU A 76 0.554 -3.785 -6.230 1.00 0.00 O ATOM 1152 CB GLU A 76 1.887 -6.769 -6.818 1.00 0.00 C ATOM 1153 CG GLU A 76 2.879 -5.833 -7.492 1.00 0.00 C ATOM 1154 CD GLU A 76 3.256 -6.290 -8.887 1.00 0.00 C ATOM 1155 OE1 GLU A 76 4.140 -7.165 -9.007 1.00 0.00 O ATOM 1156 OE2 GLU A 76 2.669 -5.773 -9.860 1.00 0.00 O ATOM 0 H GLU A 76 0.237 -8.012 -5.471 1.00 0.00 H new ATOM 0 HA GLU A 76 1.681 -5.665 -4.985 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.433 -7.595 -6.362 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.233 -7.199 -7.577 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.450 -4.832 -7.545 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.779 -5.762 -6.881 1.00 0.00 H new ATOM 1163 N LYS A 77 -0.858 -5.327 -7.079 1.00 0.00 N ATOM 1164 CA LYS A 77 -1.725 -4.348 -7.729 1.00 0.00 C ATOM 1165 C LYS A 77 -2.268 -3.344 -6.716 1.00 0.00 C ATOM 1166 O LYS A 77 -2.383 -2.154 -7.010 1.00 0.00 O ATOM 1167 CB LYS A 77 -2.889 -5.047 -8.438 1.00 0.00 C ATOM 1168 CG LYS A 77 -2.581 -5.442 -9.875 1.00 0.00 C ATOM 1169 CD LYS A 77 -3.649 -6.366 -10.444 1.00 0.00 C ATOM 1170 CE LYS A 77 -4.954 -5.625 -10.702 1.00 0.00 C ATOM 1171 NZ LYS A 77 -5.979 -5.907 -9.655 1.00 0.00 N ATOM 0 H LYS A 77 -1.147 -6.296 -7.210 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.128 -3.812 -8.467 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.162 -5.940 -7.876 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.757 -4.387 -8.430 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -2.508 -4.546 -10.492 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.611 -5.937 -9.917 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.291 -6.807 -11.374 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -3.828 -7.187 -9.750 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -4.760 -4.553 -10.739 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -5.346 -5.912 -11.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -6.850 -5.382 -9.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -6.185 -6.926 -9.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -5.617 -5.610 -8.726 1.00 0.00 H new ATOM 1185 N ASP A 78 -2.596 -3.831 -5.519 1.00 0.00 N ATOM 1186 CA ASP A 78 -3.125 -2.976 -4.461 1.00 0.00 C ATOM 1187 C ASP A 78 -2.094 -1.931 -4.039 1.00 0.00 C ATOM 1188 O ASP A 78 -2.411 -0.747 -3.929 1.00 0.00 O ATOM 1189 CB ASP A 78 -3.535 -3.821 -3.249 1.00 0.00 C ATOM 1190 CG ASP A 78 -5.013 -3.702 -2.931 1.00 0.00 C ATOM 1191 OD1 ASP A 78 -5.837 -4.177 -3.743 1.00 0.00 O ATOM 1192 OD2 ASP A 78 -5.347 -3.142 -1.866 1.00 0.00 O ATOM 0 H ASP A 78 -2.504 -4.813 -5.260 1.00 0.00 H new ATOM 0 HA ASP A 78 -4.003 -2.460 -4.851 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.291 -4.866 -3.439 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -2.954 -3.511 -2.381 1.00 0.00 H new ATOM 1197 N VAL A 79 -0.859 -2.375 -3.804 1.00 0.00 N ATOM 1198 CA VAL A 79 0.214 -1.472 -3.395 1.00 0.00 C ATOM 1199 C VAL A 79 0.578 -0.497 -4.515 1.00 0.00 C ATOM 1200 O VAL A 79 0.729 0.703 -4.277 1.00 0.00 O ATOM 1201 CB VAL A 79 1.482 -2.239 -2.967 1.00 0.00 C ATOM 1202 CG1 VAL A 79 2.488 -1.289 -2.332 1.00 0.00 C ATOM 1203 CG2 VAL A 79 1.134 -3.376 -2.013 1.00 0.00 C ATOM 0 H VAL A 79 -0.579 -3.352 -3.890 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.166 -0.915 -2.538 1.00 0.00 H new ATOM 0 HB VAL A 79 1.935 -2.676 -3.857 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.377 -1.846 -2.035 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.765 -0.519 -3.052 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.043 -0.822 -1.454 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.045 -3.902 -1.726 1.00 0.00 H new ATOM 0 HG22 VAL A 79 0.653 -2.970 -1.123 1.00 0.00 H new ATOM 0 HG23 VAL A 79 0.455 -4.071 -2.507 1.00 0.00 H new ATOM 1213 N MET A 80 0.719 -1.018 -5.736 1.00 0.00 N ATOM 1214 CA MET A 80 1.065 -0.190 -6.892 1.00 0.00 C ATOM 1215 C MET A 80 0.018 0.900 -7.111 1.00 0.00 C ATOM 1216 O MET A 80 0.358 2.067 -7.312 1.00 0.00 O ATOM 1217 CB MET A 80 1.195 -1.049 -8.153 1.00 0.00 C ATOM 1218 CG MET A 80 2.255 -2.138 -8.051 1.00 0.00 C ATOM 1219 SD MET A 80 3.816 -1.663 -8.819 1.00 0.00 S ATOM 1220 CE MET A 80 4.843 -3.072 -8.406 1.00 0.00 C ATOM 0 H MET A 80 0.599 -2.008 -5.949 1.00 0.00 H new ATOM 0 HA MET A 80 2.025 0.284 -6.689 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.232 -1.512 -8.366 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.432 -0.403 -8.998 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.428 -2.374 -7.001 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.883 -3.047 -8.525 1.00 0.00 H new ATOM 0 HE1 MET A 80 5.832 -2.726 -8.105 1.00 0.00 H new ATOM 0 HE2 MET A 80 4.387 -3.626 -7.586 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.936 -3.722 -9.276 1.00 0.00 H new ATOM 1230 N LEU A 81 -1.258 0.510 -7.062 1.00 0.00 N ATOM 1231 CA LEU A 81 -2.360 1.454 -7.246 1.00 0.00 C ATOM 1232 C LEU A 81 -2.342 2.531 -6.160 1.00 0.00 C ATOM 1233 O LEU A 81 -2.605 3.700 -6.437 1.00 0.00 O ATOM 1234 CB LEU A 81 -3.706 0.717 -7.232 1.00 0.00 C ATOM 1235 CG LEU A 81 -4.295 0.395 -8.610 1.00 0.00 C ATOM 1236 CD1 LEU A 81 -4.705 1.669 -9.334 1.00 0.00 C ATOM 1237 CD2 LEU A 81 -3.302 -0.402 -9.448 1.00 0.00 C ATOM 0 H LEU A 81 -1.552 -0.453 -6.897 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.232 1.937 -8.215 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.584 -0.216 -6.681 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.426 1.322 -6.680 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.186 -0.215 -8.463 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.120 1.416 -10.309 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.456 2.196 -8.746 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.833 2.309 -9.466 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.740 -0.620 -10.422 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.390 0.180 -9.582 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.065 -1.337 -8.940 1.00 0.00 H new ATOM 1249 N LEU A 82 -2.025 2.129 -4.927 1.00 0.00 N ATOM 1250 CA LEU A 82 -1.969 3.065 -3.801 1.00 0.00 C ATOM 1251 C LEU A 82 -0.944 4.167 -4.059 1.00 0.00 C ATOM 1252 O LEU A 82 -1.200 5.341 -3.783 1.00 0.00 O ATOM 1253 CB LEU A 82 -1.616 2.322 -2.507 1.00 0.00 C ATOM 1254 CG LEU A 82 -2.458 2.697 -1.284 1.00 0.00 C ATOM 1255 CD1 LEU A 82 -2.089 1.817 -0.099 1.00 0.00 C ATOM 1256 CD2 LEU A 82 -2.277 4.168 -0.934 1.00 0.00 C ATOM 0 H LEU A 82 -1.804 1.164 -4.683 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.953 3.523 -3.694 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.719 1.251 -2.683 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.567 2.508 -2.276 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.508 2.533 -1.526 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.695 2.095 0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.273 0.772 -0.350 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.034 1.953 0.140 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.884 4.412 -0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.228 4.363 -0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.589 4.784 -1.778 1.00 0.00 H new ATOM 1268 N CYS A 83 0.214 3.783 -4.596 1.00 0.00 N ATOM 1269 CA CYS A 83 1.277 4.738 -4.901 1.00 0.00 C ATOM 1270 C CYS A 83 0.810 5.749 -5.949 1.00 0.00 C ATOM 1271 O CYS A 83 1.010 6.955 -5.791 1.00 0.00 O ATOM 1272 CB CYS A 83 2.524 4.005 -5.401 1.00 0.00 C ATOM 1273 SG CYS A 83 3.199 2.808 -4.225 1.00 0.00 S ATOM 0 H CYS A 83 0.439 2.816 -4.829 1.00 0.00 H new ATOM 0 HA CYS A 83 1.526 5.275 -3.986 1.00 0.00 H new ATOM 0 HB2 CYS A 83 2.281 3.488 -6.329 1.00 0.00 H new ATOM 0 HB3 CYS A 83 3.294 4.740 -5.637 1.00 0.00 H new ATOM 0 HG CYS A 83 2.357 1.830 -4.069 1.00 0.00 H new ATOM 1279 N GLN A 84 0.180 5.248 -7.013 1.00 0.00 N ATOM 1280 CA GLN A 84 -0.327 6.107 -8.084 1.00 0.00 C ATOM 1281 C GLN A 84 -1.466 6.998 -7.580 1.00 0.00 C ATOM 1282 O GLN A 84 -1.539 8.177 -7.931 1.00 0.00 O ATOM 1283 CB GLN A 84 -0.807 5.264 -9.269 1.00 0.00 C ATOM 1284 CG GLN A 84 -1.038 6.073 -10.536 1.00 0.00 C ATOM 1285 CD GLN A 84 0.254 6.408 -11.259 1.00 0.00 C ATOM 1286 OE1 GLN A 84 0.694 7.557 -11.266 1.00 0.00 O ATOM 1287 NE2 GLN A 84 0.871 5.402 -11.872 1.00 0.00 N ATOM 0 H GLN A 84 0.009 4.253 -7.156 1.00 0.00 H new ATOM 0 HA GLN A 84 0.491 6.747 -8.415 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -0.071 4.487 -9.473 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -1.734 4.761 -8.995 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -1.690 5.513 -11.206 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -1.558 6.997 -10.283 1.00 0.00 H new ATOM 0 HE21 GLN A 84 0.471 4.464 -11.841 1.00 0.00 H new ATOM 0 HE22 GLN A 84 1.744 5.568 -12.373 1.00 0.00 H new ATOM 1296 N ASN A 85 -2.347 6.427 -6.752 1.00 0.00 N ATOM 1297 CA ASN A 85 -3.478 7.171 -6.192 1.00 0.00 C ATOM 1298 C ASN A 85 -2.990 8.339 -5.333 1.00 0.00 C ATOM 1299 O ASN A 85 -3.655 9.371 -5.238 1.00 0.00 O ATOM 1300 CB ASN A 85 -4.371 6.247 -5.356 1.00 0.00 C ATOM 1301 CG ASN A 85 -5.038 5.163 -6.186 1.00 0.00 C ATOM 1302 OD1 ASN A 85 -5.297 5.348 -7.376 1.00 0.00 O ATOM 1303 ND2 ASN A 85 -5.317 4.023 -5.562 1.00 0.00 N ATOM 0 H ASN A 85 -2.298 5.452 -6.455 1.00 0.00 H new ATOM 0 HA ASN A 85 -4.061 7.569 -7.023 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -3.772 5.782 -4.573 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -5.138 6.842 -4.860 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -5.763 3.259 -6.070 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -5.085 3.912 -4.575 1.00 0.00 H new ATOM 1310 N ALA A 86 -1.821 8.171 -4.716 1.00 0.00 N ATOM 1311 CA ALA A 86 -1.241 9.216 -3.880 1.00 0.00 C ATOM 1312 C ALA A 86 -0.749 10.375 -4.740 1.00 0.00 C ATOM 1313 O ALA A 86 -0.973 11.539 -4.410 1.00 0.00 O ATOM 1314 CB ALA A 86 -0.098 8.657 -3.043 1.00 0.00 C ATOM 0 H ALA A 86 -1.259 7.322 -4.780 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.014 9.586 -3.207 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.323 9.451 -2.426 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -0.473 7.859 -2.402 1.00 0.00 H new ATOM 0 HB3 ALA A 86 0.675 8.261 -3.701 1.00 0.00 H new ATOM 1320 N GLN A 87 -0.084 10.047 -5.849 1.00 0.00 N ATOM 1321 CA GLN A 87 0.439 11.062 -6.763 1.00 0.00 C ATOM 1322 C GLN A 87 -0.685 11.929 -7.331 1.00 0.00 C ATOM 1323 O GLN A 87 -0.489 13.119 -7.581 1.00 0.00 O ATOM 1324 CB GLN A 87 1.225 10.405 -7.900 1.00 0.00 C ATOM 1325 CG GLN A 87 2.442 11.207 -8.331 1.00 0.00 C ATOM 1326 CD GLN A 87 3.614 10.326 -8.717 1.00 0.00 C ATOM 1327 OE1 GLN A 87 3.951 10.202 -9.894 1.00 0.00 O ATOM 1328 NE2 GLN A 87 4.239 9.708 -7.724 1.00 0.00 N ATOM 0 H GLN A 87 0.105 9.086 -6.135 1.00 0.00 H new ATOM 0 HA GLN A 87 1.110 11.707 -6.196 1.00 0.00 H new ATOM 0 HB2 GLN A 87 1.546 9.412 -7.584 1.00 0.00 H new ATOM 0 HB3 GLN A 87 0.566 10.269 -8.757 1.00 0.00 H new ATOM 0 HG2 GLN A 87 2.174 11.840 -9.177 1.00 0.00 H new ATOM 0 HG3 GLN A 87 2.742 11.869 -7.519 1.00 0.00 H new ATOM 0 HE21 GLN A 87 3.925 9.840 -6.763 1.00 0.00 H new ATOM 0 HE22 GLN A 87 5.034 9.100 -7.922 1.00 0.00 H new ATOM 1337 N THR A 88 -1.861 11.335 -7.529 1.00 0.00 N ATOM 1338 CA THR A 88 -3.008 12.071 -8.059 1.00 0.00 C ATOM 1339 C THR A 88 -3.634 12.966 -6.985 1.00 0.00 C ATOM 1340 O THR A 88 -4.250 13.984 -7.303 1.00 0.00 O ATOM 1341 CB THR A 88 -4.057 11.104 -8.614 1.00 0.00 C ATOM 1342 OG1 THR A 88 -4.458 10.172 -7.625 1.00 0.00 O ATOM 1343 CG2 THR A 88 -3.576 10.318 -9.816 1.00 0.00 C ATOM 0 H THR A 88 -2.044 10.351 -7.332 1.00 0.00 H new ATOM 0 HA THR A 88 -2.651 12.707 -8.869 1.00 0.00 H new ATOM 0 HB THR A 88 -4.890 11.735 -8.923 1.00 0.00 H new ATOM 0 HG1 THR A 88 -3.919 10.301 -6.817 1.00 0.00 H new ATOM 0 HG21 THR A 88 -4.369 9.653 -10.157 1.00 0.00 H new ATOM 0 HG22 THR A 88 -3.310 11.006 -10.618 1.00 0.00 H new ATOM 0 HG23 THR A 88 -2.702 9.728 -9.539 1.00 0.00 H new ATOM 1351 N PHE A 89 -3.471 12.584 -5.715 1.00 0.00 N ATOM 1352 CA PHE A 89 -4.017 13.360 -4.605 1.00 0.00 C ATOM 1353 C PHE A 89 -3.045 14.463 -4.179 1.00 0.00 C ATOM 1354 O PHE A 89 -3.469 15.562 -3.823 1.00 0.00 O ATOM 1355 CB PHE A 89 -4.340 12.445 -3.418 1.00 0.00 C ATOM 1356 CG PHE A 89 -5.379 13.012 -2.487 1.00 0.00 C ATOM 1357 CD1 PHE A 89 -6.728 12.931 -2.797 1.00 0.00 C ATOM 1358 CD2 PHE A 89 -5.006 13.625 -1.301 1.00 0.00 C ATOM 1359 CE1 PHE A 89 -7.684 13.452 -1.943 1.00 0.00 C ATOM 1360 CE2 PHE A 89 -5.956 14.148 -0.444 1.00 0.00 C ATOM 1361 CZ PHE A 89 -7.297 14.061 -0.766 1.00 0.00 C ATOM 0 H PHE A 89 -2.966 11.744 -5.433 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.940 13.831 -4.943 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.688 11.483 -3.795 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.425 12.255 -2.856 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.036 12.455 -3.716 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.960 13.695 -1.043 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -8.731 13.382 -2.197 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.651 14.624 0.476 1.00 0.00 H new ATOM 0 HZ PHE A 89 -8.041 14.469 -0.098 1.00 0.00 H new ATOM 1371 N ASN A 90 -1.742 14.166 -4.223 1.00 0.00 N ATOM 1372 CA ASN A 90 -0.724 15.146 -3.847 1.00 0.00 C ATOM 1373 C ASN A 90 -0.296 15.988 -5.050 1.00 0.00 C ATOM 1374 O ASN A 90 -0.384 15.544 -6.195 1.00 0.00 O ATOM 1375 CB ASN A 90 0.499 14.461 -3.213 1.00 0.00 C ATOM 1376 CG ASN A 90 1.259 13.555 -4.172 1.00 0.00 C ATOM 1377 OD1 ASN A 90 1.617 13.957 -5.279 1.00 0.00 O ATOM 1378 ND2 ASN A 90 1.516 12.323 -3.747 1.00 0.00 N ATOM 0 H ASN A 90 -1.372 13.261 -4.513 1.00 0.00 H new ATOM 0 HA ASN A 90 -1.169 15.809 -3.105 1.00 0.00 H new ATOM 0 HB2 ASN A 90 1.177 15.226 -2.835 1.00 0.00 H new ATOM 0 HB3 ASN A 90 0.171 13.874 -2.355 1.00 0.00 H new ATOM 0 HD21 ASN A 90 2.027 11.673 -4.345 1.00 0.00 H new ATOM 0 HD22 ASN A 90 1.203 12.027 -2.823 1.00 0.00 H new ATOM 1385 N LEU A 91 0.167 17.207 -4.774 1.00 0.00 N ATOM 1386 CA LEU A 91 0.612 18.123 -5.821 1.00 0.00 C ATOM 1387 C LEU A 91 2.131 18.070 -5.983 1.00 0.00 C ATOM 1388 O LEU A 91 2.821 17.375 -5.232 1.00 0.00 O ATOM 1389 CB LEU A 91 0.168 19.550 -5.484 1.00 0.00 C ATOM 1390 CG LEU A 91 -1.211 19.944 -6.016 1.00 0.00 C ATOM 1391 CD1 LEU A 91 -1.784 21.096 -5.205 1.00 0.00 C ATOM 1392 CD2 LEU A 91 -1.128 20.310 -7.491 1.00 0.00 C ATOM 0 H LEU A 91 0.243 17.583 -3.829 1.00 0.00 H new ATOM 0 HA LEU A 91 0.159 17.817 -6.764 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.169 19.668 -4.400 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.906 20.247 -5.881 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.880 19.089 -5.914 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.765 21.364 -5.597 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.880 20.795 -4.162 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.118 21.956 -5.274 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.118 20.588 -7.853 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.446 21.150 -7.620 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.761 19.455 -8.058 1.00 0.00 H new ATOM 1404 N GLU A 92 2.648 18.806 -6.967 1.00 0.00 N ATOM 1405 CA GLU A 92 4.082 18.840 -7.225 1.00 0.00 C ATOM 1406 C GLU A 92 4.790 19.774 -6.249 1.00 0.00 C ATOM 1407 O GLU A 92 4.380 20.922 -6.059 1.00 0.00 O ATOM 1408 CB GLU A 92 4.355 19.281 -8.666 1.00 0.00 C ATOM 1409 CG GLU A 92 4.166 18.175 -9.692 1.00 0.00 C ATOM 1410 CD GLU A 92 2.854 18.293 -10.443 1.00 0.00 C ATOM 1411 OE1 GLU A 92 1.802 17.957 -9.858 1.00 0.00 O ATOM 1412 OE2 GLU A 92 2.879 18.724 -11.615 1.00 0.00 O ATOM 0 H GLU A 92 2.093 19.385 -7.597 1.00 0.00 H new ATOM 0 HA GLU A 92 4.474 17.833 -7.083 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.693 20.111 -8.914 1.00 0.00 H new ATOM 0 HB3 GLU A 92 5.376 19.656 -8.734 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.991 18.200 -10.404 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.207 17.208 -9.190 1.00 0.00 H new ATOM 1419 N GLY A 93 5.858 19.270 -5.636 1.00 0.00 N ATOM 1420 CA GLY A 93 6.621 20.061 -4.684 1.00 0.00 C ATOM 1421 C GLY A 93 6.113 19.909 -3.263 1.00 0.00 C ATOM 1422 O GLY A 93 5.539 20.844 -2.700 1.00 0.00 O ATOM 0 H GLY A 93 6.210 18.324 -5.782 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.669 19.763 -4.726 1.00 0.00 H new ATOM 0 HA3 GLY A 93 6.577 21.111 -4.972 1.00 0.00 H new ATOM 1426 N SER A 94 6.322 18.728 -2.681 1.00 0.00 N ATOM 1427 CA SER A 94 5.881 18.453 -1.315 1.00 0.00 C ATOM 1428 C SER A 94 6.561 17.202 -0.761 1.00 0.00 C ATOM 1429 O SER A 94 7.129 16.410 -1.515 1.00 0.00 O ATOM 1430 CB SER A 94 4.360 18.279 -1.271 1.00 0.00 C ATOM 1431 OG SER A 94 3.827 18.770 -0.053 1.00 0.00 O ATOM 0 H SER A 94 6.794 17.946 -3.135 1.00 0.00 H new ATOM 0 HA SER A 94 6.162 19.304 -0.694 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.906 18.807 -2.110 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.108 17.225 -1.384 1.00 0.00 H new ATOM 0 HG SER A 94 2.854 18.649 -0.049 1.00 0.00 H new ATOM 1437 N LEU A 95 6.495 17.029 0.561 1.00 0.00 N ATOM 1438 CA LEU A 95 7.101 15.868 1.214 1.00 0.00 C ATOM 1439 C LEU A 95 6.528 14.571 0.645 1.00 0.00 C ATOM 1440 O LEU A 95 7.270 13.632 0.351 1.00 0.00 O ATOM 1441 CB LEU A 95 6.871 15.917 2.731 1.00 0.00 C ATOM 1442 CG LEU A 95 8.143 15.991 3.580 1.00 0.00 C ATOM 1443 CD1 LEU A 95 7.936 16.912 4.773 1.00 0.00 C ATOM 1444 CD2 LEU A 95 8.560 14.600 4.044 1.00 0.00 C ATOM 0 H LEU A 95 6.030 17.676 1.198 1.00 0.00 H new ATOM 0 HA LEU A 95 8.173 15.895 1.020 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.249 16.782 2.961 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.307 15.032 3.026 1.00 0.00 H new ATOM 0 HG LEU A 95 8.943 16.401 2.964 1.00 0.00 H new ATOM 0 HD11 LEU A 95 8.851 16.952 5.365 1.00 0.00 H new ATOM 0 HD12 LEU A 95 7.687 17.913 4.421 1.00 0.00 H new ATOM 0 HD13 LEU A 95 7.121 16.532 5.389 1.00 0.00 H new ATOM 0 HD21 LEU A 95 9.466 14.674 4.646 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.761 14.161 4.642 1.00 0.00 H new ATOM 0 HD23 LEU A 95 8.751 13.969 3.176 1.00 0.00 H new ATOM 1456 N ILE A 96 5.203 14.534 0.485 1.00 0.00 N ATOM 1457 CA ILE A 96 4.524 13.357 -0.057 1.00 0.00 C ATOM 1458 C ILE A 96 5.049 13.007 -1.450 1.00 0.00 C ATOM 1459 O ILE A 96 5.235 11.833 -1.771 1.00 0.00 O ATOM 1460 CB ILE A 96 2.993 13.558 -0.136 1.00 0.00 C ATOM 1461 CG1 ILE A 96 2.441 14.104 1.187 1.00 0.00 C ATOM 1462 CG2 ILE A 96 2.307 12.247 -0.495 1.00 0.00 C ATOM 1463 CD1 ILE A 96 1.532 15.302 1.014 1.00 0.00 C ATOM 0 H ILE A 96 4.580 15.306 0.723 1.00 0.00 H new ATOM 0 HA ILE A 96 4.736 12.538 0.630 1.00 0.00 H new ATOM 0 HB ILE A 96 2.786 14.290 -0.917 1.00 0.00 H new ATOM 0 HG12 ILE A 96 1.892 13.312 1.697 1.00 0.00 H new ATOM 0 HG13 ILE A 96 3.275 14.381 1.833 1.00 0.00 H new ATOM 0 HG21 ILE A 96 1.229 12.403 -0.547 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.671 11.899 -1.462 1.00 0.00 H new ATOM 0 HG23 ILE A 96 2.529 11.500 0.267 1.00 0.00 H new ATOM 0 HD11 ILE A 96 1.179 15.635 1.990 1.00 0.00 H new ATOM 0 HD12 ILE A 96 2.083 16.110 0.533 1.00 0.00 H new ATOM 0 HD13 ILE A 96 0.679 15.025 0.395 1.00 0.00 H new ATOM 1475 N TYR A 97 5.289 14.031 -2.274 1.00 0.00 N ATOM 1476 CA TYR A 97 5.796 13.816 -3.628 1.00 0.00 C ATOM 1477 C TYR A 97 7.136 13.084 -3.591 1.00 0.00 C ATOM 1478 O TYR A 97 7.335 12.106 -4.312 1.00 0.00 O ATOM 1479 CB TYR A 97 5.947 15.148 -4.374 1.00 0.00 C ATOM 1480 CG TYR A 97 6.475 15.000 -5.788 1.00 0.00 C ATOM 1481 CD1 TYR A 97 5.986 14.011 -6.636 1.00 0.00 C ATOM 1482 CD2 TYR A 97 7.462 15.848 -6.275 1.00 0.00 C ATOM 1483 CE1 TYR A 97 6.467 13.872 -7.924 1.00 0.00 C ATOM 1484 CE2 TYR A 97 7.948 15.717 -7.563 1.00 0.00 C ATOM 1485 CZ TYR A 97 7.446 14.727 -8.384 1.00 0.00 C ATOM 1486 OH TYR A 97 7.928 14.592 -9.666 1.00 0.00 O ATOM 0 H TYR A 97 5.141 15.010 -2.028 1.00 0.00 H new ATOM 0 HA TYR A 97 5.073 13.200 -4.162 1.00 0.00 H new ATOM 0 HB2 TYR A 97 4.978 15.647 -4.408 1.00 0.00 H new ATOM 0 HB3 TYR A 97 6.619 15.795 -3.811 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.217 13.340 -6.281 1.00 0.00 H new ATOM 0 HD2 TYR A 97 7.857 16.624 -5.636 1.00 0.00 H new ATOM 0 HE1 TYR A 97 6.078 13.097 -8.568 1.00 0.00 H new ATOM 0 HE2 TYR A 97 8.716 16.385 -7.925 1.00 0.00 H new ATOM 0 HH TYR A 97 8.612 15.274 -9.832 1.00 0.00 H new ATOM 1496 N GLU A 98 8.045 13.557 -2.738 1.00 0.00 N ATOM 1497 CA GLU A 98 9.361 12.936 -2.603 1.00 0.00 C ATOM 1498 C GLU A 98 9.229 11.487 -2.133 1.00 0.00 C ATOM 1499 O GLU A 98 9.933 10.601 -2.620 1.00 0.00 O ATOM 1500 CB GLU A 98 10.235 13.731 -1.625 1.00 0.00 C ATOM 1501 CG GLU A 98 11.694 13.807 -2.046 1.00 0.00 C ATOM 1502 CD GLU A 98 11.980 14.990 -2.950 1.00 0.00 C ATOM 1503 OE1 GLU A 98 11.636 14.915 -4.150 1.00 0.00 O ATOM 1504 OE2 GLU A 98 12.546 15.990 -2.462 1.00 0.00 O ATOM 0 H GLU A 98 7.895 14.364 -2.133 1.00 0.00 H new ATOM 0 HA GLU A 98 9.840 12.941 -3.582 1.00 0.00 H new ATOM 0 HB2 GLU A 98 9.838 14.742 -1.533 1.00 0.00 H new ATOM 0 HB3 GLU A 98 10.172 13.273 -0.638 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.322 13.874 -1.157 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.968 12.886 -2.561 1.00 0.00 H new ATOM 1511 N ASP A 99 8.314 11.256 -1.188 1.00 0.00 N ATOM 1512 CA ASP A 99 8.073 9.915 -0.652 1.00 0.00 C ATOM 1513 C ASP A 99 7.587 8.967 -1.748 1.00 0.00 C ATOM 1514 O ASP A 99 8.015 7.814 -1.816 1.00 0.00 O ATOM 1515 CB ASP A 99 7.035 9.957 0.480 1.00 0.00 C ATOM 1516 CG ASP A 99 7.359 10.971 1.565 1.00 0.00 C ATOM 1517 OD1 ASP A 99 8.550 11.308 1.741 1.00 0.00 O ATOM 1518 OD2 ASP A 99 6.416 11.431 2.243 1.00 0.00 O ATOM 0 H ASP A 99 7.727 11.982 -0.778 1.00 0.00 H new ATOM 0 HA ASP A 99 9.019 9.546 -0.257 1.00 0.00 H new ATOM 0 HB2 ASP A 99 6.058 10.190 0.057 1.00 0.00 H new ATOM 0 HB3 ASP A 99 6.960 8.967 0.930 1.00 0.00 H new ATOM 1523 N SER A 100 6.687 9.462 -2.599 1.00 0.00 N ATOM 1524 CA SER A 100 6.135 8.662 -3.692 1.00 0.00 C ATOM 1525 C SER A 100 7.240 8.181 -4.631 1.00 0.00 C ATOM 1526 O SER A 100 7.239 7.025 -5.056 1.00 0.00 O ATOM 1527 CB SER A 100 5.097 9.469 -4.481 1.00 0.00 C ATOM 1528 OG SER A 100 4.138 10.061 -3.620 1.00 0.00 O ATOM 0 H SER A 100 6.325 10.414 -2.552 1.00 0.00 H new ATOM 0 HA SER A 100 5.648 7.791 -3.253 1.00 0.00 H new ATOM 0 HB2 SER A 100 5.599 10.246 -5.057 1.00 0.00 H new ATOM 0 HB3 SER A 100 4.594 8.817 -5.195 1.00 0.00 H new ATOM 0 HG SER A 100 4.560 10.782 -3.107 1.00 0.00 H new ATOM 1534 N ILE A 101 8.185 9.068 -4.945 1.00 0.00 N ATOM 1535 CA ILE A 101 9.296 8.719 -5.829 1.00 0.00 C ATOM 1536 C ILE A 101 10.209 7.684 -5.172 1.00 0.00 C ATOM 1537 O ILE A 101 10.617 6.712 -5.811 1.00 0.00 O ATOM 1538 CB ILE A 101 10.133 9.958 -6.222 1.00 0.00 C ATOM 1539 CG1 ILE A 101 9.222 11.068 -6.760 1.00 0.00 C ATOM 1540 CG2 ILE A 101 11.185 9.583 -7.258 1.00 0.00 C ATOM 1541 CD1 ILE A 101 9.743 12.465 -6.499 1.00 0.00 C ATOM 0 H ILE A 101 8.203 10.028 -4.602 1.00 0.00 H new ATOM 0 HA ILE A 101 8.857 8.298 -6.734 1.00 0.00 H new ATOM 0 HB ILE A 101 10.642 10.329 -5.333 1.00 0.00 H new ATOM 0 HG12 ILE A 101 9.095 10.932 -7.834 1.00 0.00 H new ATOM 0 HG13 ILE A 101 8.236 10.967 -6.307 1.00 0.00 H new ATOM 0 HG21 ILE A 101 11.765 10.467 -7.524 1.00 0.00 H new ATOM 0 HG22 ILE A 101 11.849 8.824 -6.844 1.00 0.00 H new ATOM 0 HG23 ILE A 101 10.695 9.190 -8.149 1.00 0.00 H new ATOM 0 HD11 ILE A 101 9.045 13.196 -6.908 1.00 0.00 H new ATOM 0 HD12 ILE A 101 9.843 12.621 -5.425 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.716 12.585 -6.976 1.00 0.00 H new ATOM 1553 N VAL A 102 10.520 7.896 -3.893 1.00 0.00 N ATOM 1554 CA VAL A 102 11.380 6.975 -3.152 1.00 0.00 C ATOM 1555 C VAL A 102 10.714 5.608 -2.990 1.00 0.00 C ATOM 1556 O VAL A 102 11.333 4.575 -3.246 1.00 0.00 O ATOM 1557 CB VAL A 102 11.745 7.529 -1.757 1.00 0.00 C ATOM 1558 CG1 VAL A 102 12.748 6.618 -1.063 1.00 0.00 C ATOM 1559 CG2 VAL A 102 12.291 8.949 -1.863 1.00 0.00 C ATOM 0 H VAL A 102 10.190 8.695 -3.351 1.00 0.00 H new ATOM 0 HA VAL A 102 12.294 6.865 -3.735 1.00 0.00 H new ATOM 0 HB VAL A 102 10.836 7.559 -1.156 1.00 0.00 H new ATOM 0 HG11 VAL A 102 12.992 7.026 -0.082 1.00 0.00 H new ATOM 0 HG12 VAL A 102 12.316 5.624 -0.946 1.00 0.00 H new ATOM 0 HG13 VAL A 102 13.655 6.551 -1.664 1.00 0.00 H new ATOM 0 HG21 VAL A 102 12.541 9.318 -0.868 1.00 0.00 H new ATOM 0 HG22 VAL A 102 13.186 8.949 -2.486 1.00 0.00 H new ATOM 0 HG23 VAL A 102 11.537 9.596 -2.311 1.00 0.00 H new ATOM 1569 N LEU A 103 9.450 5.606 -2.566 1.00 0.00 N ATOM 1570 CA LEU A 103 8.710 4.359 -2.377 1.00 0.00 C ATOM 1571 C LEU A 103 8.590 3.592 -3.692 1.00 0.00 C ATOM 1572 O LEU A 103 8.801 2.380 -3.728 1.00 0.00 O ATOM 1573 CB LEU A 103 7.315 4.635 -1.806 1.00 0.00 C ATOM 1574 CG LEU A 103 7.051 4.032 -0.423 1.00 0.00 C ATOM 1575 CD1 LEU A 103 6.137 4.939 0.387 1.00 0.00 C ATOM 1576 CD2 LEU A 103 6.451 2.638 -0.551 1.00 0.00 C ATOM 0 H LEU A 103 8.920 6.450 -2.348 1.00 0.00 H new ATOM 0 HA LEU A 103 9.266 3.748 -1.666 1.00 0.00 H new ATOM 0 HB2 LEU A 103 7.169 5.714 -1.749 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.571 4.249 -2.502 1.00 0.00 H new ATOM 0 HG LEU A 103 8.002 3.946 0.103 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.960 4.496 1.367 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.608 5.914 0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.187 5.058 -0.135 1.00 0.00 H new ATOM 0 HD21 LEU A 103 6.271 2.227 0.442 1.00 0.00 H new ATOM 0 HD22 LEU A 103 5.509 2.696 -1.096 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.143 1.992 -1.091 1.00 0.00 H new ATOM 1588 N GLN A 104 8.255 4.304 -4.769 1.00 0.00 N ATOM 1589 CA GLN A 104 8.112 3.685 -6.085 1.00 0.00 C ATOM 1590 C GLN A 104 9.430 3.057 -6.541 1.00 0.00 C ATOM 1591 O GLN A 104 9.443 1.934 -7.046 1.00 0.00 O ATOM 1592 CB GLN A 104 7.643 4.713 -7.120 1.00 0.00 C ATOM 1593 CG GLN A 104 6.997 4.087 -8.346 1.00 0.00 C ATOM 1594 CD GLN A 104 5.619 4.653 -8.632 1.00 0.00 C ATOM 1595 OE1 GLN A 104 5.432 5.413 -9.582 1.00 0.00 O ATOM 1596 NE2 GLN A 104 4.642 4.282 -7.811 1.00 0.00 N ATOM 0 H GLN A 104 8.078 5.308 -4.755 1.00 0.00 H new ATOM 0 HA GLN A 104 7.361 2.899 -6.001 1.00 0.00 H new ATOM 0 HB2 GLN A 104 6.931 5.391 -6.650 1.00 0.00 H new ATOM 0 HB3 GLN A 104 8.496 5.315 -7.435 1.00 0.00 H new ATOM 0 HG2 GLN A 104 7.639 4.248 -9.212 1.00 0.00 H new ATOM 0 HG3 GLN A 104 6.920 3.009 -8.202 1.00 0.00 H new ATOM 0 HE21 GLN A 104 4.840 3.650 -7.035 1.00 0.00 H new ATOM 0 HE22 GLN A 104 3.694 4.629 -7.957 1.00 0.00 H new ATOM 1605 N SER A 105 10.532 3.785 -6.361 1.00 0.00 N ATOM 1606 CA SER A 105 11.850 3.291 -6.757 1.00 0.00 C ATOM 1607 C SER A 105 12.219 2.026 -5.979 1.00 0.00 C ATOM 1608 O SER A 105 12.729 1.064 -6.552 1.00 0.00 O ATOM 1609 CB SER A 105 12.916 4.375 -6.554 1.00 0.00 C ATOM 1610 OG SER A 105 13.221 4.554 -5.180 1.00 0.00 O ATOM 0 H SER A 105 10.538 4.716 -5.945 1.00 0.00 H new ATOM 0 HA SER A 105 11.810 3.038 -7.816 1.00 0.00 H new ATOM 0 HB2 SER A 105 13.821 4.102 -7.096 1.00 0.00 H new ATOM 0 HB3 SER A 105 12.564 5.317 -6.975 1.00 0.00 H new ATOM 0 HG SER A 105 12.390 4.594 -4.663 1.00 0.00 H new ATOM 1616 N VAL A 106 11.955 2.035 -4.671 1.00 0.00 N ATOM 1617 CA VAL A 106 12.260 0.884 -3.821 1.00 0.00 C ATOM 1618 C VAL A 106 11.308 -0.280 -4.102 1.00 0.00 C ATOM 1619 O VAL A 106 11.743 -1.424 -4.243 1.00 0.00 O ATOM 1620 CB VAL A 106 12.186 1.239 -2.317 1.00 0.00 C ATOM 1621 CG1 VAL A 106 12.648 0.061 -1.469 1.00 0.00 C ATOM 1622 CG2 VAL A 106 13.015 2.480 -2.005 1.00 0.00 C ATOM 0 H VAL A 106 11.533 2.823 -4.180 1.00 0.00 H new ATOM 0 HA VAL A 106 13.281 0.587 -4.062 1.00 0.00 H new ATOM 0 HB VAL A 106 11.147 1.458 -2.072 1.00 0.00 H new ATOM 0 HG11 VAL A 106 12.590 0.327 -0.414 1.00 0.00 H new ATOM 0 HG12 VAL A 106 12.007 -0.800 -1.662 1.00 0.00 H new ATOM 0 HG13 VAL A 106 13.678 -0.189 -1.724 1.00 0.00 H new ATOM 0 HG21 VAL A 106 12.945 2.706 -0.941 1.00 0.00 H new ATOM 0 HG22 VAL A 106 14.057 2.298 -2.269 1.00 0.00 H new ATOM 0 HG23 VAL A 106 12.637 3.324 -2.581 1.00 0.00 H new ATOM 1632 N PHE A 107 10.011 0.019 -4.183 1.00 0.00 N ATOM 1633 CA PHE A 107 8.998 -1.004 -4.447 1.00 0.00 C ATOM 1634 C PHE A 107 9.240 -1.681 -5.795 1.00 0.00 C ATOM 1635 O PHE A 107 9.177 -2.907 -5.903 1.00 0.00 O ATOM 1636 CB PHE A 107 7.598 -0.386 -4.420 1.00 0.00 C ATOM 1637 CG PHE A 107 6.500 -1.389 -4.198 1.00 0.00 C ATOM 1638 CD1 PHE A 107 6.309 -1.961 -2.949 1.00 0.00 C ATOM 1639 CD2 PHE A 107 5.658 -1.756 -5.234 1.00 0.00 C ATOM 1640 CE1 PHE A 107 5.302 -2.883 -2.742 1.00 0.00 C ATOM 1641 CE2 PHE A 107 4.648 -2.677 -5.033 1.00 0.00 C ATOM 1642 CZ PHE A 107 4.469 -3.240 -3.785 1.00 0.00 C ATOM 0 H PHE A 107 9.637 0.961 -4.070 1.00 0.00 H new ATOM 0 HA PHE A 107 9.071 -1.759 -3.664 1.00 0.00 H new ATOM 0 HB2 PHE A 107 7.557 0.365 -3.631 1.00 0.00 H new ATOM 0 HB3 PHE A 107 7.420 0.132 -5.363 1.00 0.00 H new ATOM 0 HD1 PHE A 107 6.955 -1.682 -2.129 1.00 0.00 H new ATOM 0 HD2 PHE A 107 5.792 -1.317 -6.211 1.00 0.00 H new ATOM 0 HE1 PHE A 107 5.166 -3.325 -1.766 1.00 0.00 H new ATOM 0 HE2 PHE A 107 4.000 -2.956 -5.850 1.00 0.00 H new ATOM 0 HZ PHE A 107 3.679 -3.959 -3.624 1.00 0.00 H new ATOM 1652 N THR A 108 9.526 -0.875 -6.819 1.00 0.00 N ATOM 1653 CA THR A 108 9.785 -1.398 -8.158 1.00 0.00 C ATOM 1654 C THR A 108 11.065 -2.233 -8.174 1.00 0.00 C ATOM 1655 O THR A 108 11.135 -3.260 -8.849 1.00 0.00 O ATOM 1656 CB THR A 108 9.891 -0.255 -9.174 1.00 0.00 C ATOM 1657 OG1 THR A 108 8.709 0.525 -9.175 1.00 0.00 O ATOM 1658 CG2 THR A 108 10.125 -0.732 -10.593 1.00 0.00 C ATOM 0 H THR A 108 9.584 0.141 -6.745 1.00 0.00 H new ATOM 0 HA THR A 108 8.948 -2.038 -8.437 1.00 0.00 H new ATOM 0 HB THR A 108 10.754 0.332 -8.858 1.00 0.00 H new ATOM 0 HG1 THR A 108 8.839 1.317 -8.613 1.00 0.00 H new ATOM 0 HG21 THR A 108 10.190 0.128 -11.260 1.00 0.00 H new ATOM 0 HG22 THR A 108 11.056 -1.297 -10.638 1.00 0.00 H new ATOM 0 HG23 THR A 108 9.298 -1.370 -10.903 1.00 0.00 H new ATOM 1666 N SER A 109 12.073 -1.788 -7.421 1.00 0.00 N ATOM 1667 CA SER A 109 13.348 -2.498 -7.343 1.00 0.00 C ATOM 1668 C SER A 109 13.157 -3.898 -6.761 1.00 0.00 C ATOM 1669 O SER A 109 13.739 -4.867 -7.250 1.00 0.00 O ATOM 1670 CB SER A 109 14.350 -1.709 -6.493 1.00 0.00 C ATOM 1671 OG SER A 109 15.131 -0.844 -7.298 1.00 0.00 O ATOM 0 H SER A 109 12.030 -0.939 -6.857 1.00 0.00 H new ATOM 0 HA SER A 109 13.742 -2.595 -8.355 1.00 0.00 H new ATOM 0 HB2 SER A 109 13.816 -1.128 -5.741 1.00 0.00 H new ATOM 0 HB3 SER A 109 15.001 -2.400 -5.958 1.00 0.00 H new ATOM 0 HG SER A 109 14.683 0.024 -7.375 1.00 0.00 H new ATOM 1677 N VAL A 110 12.331 -3.998 -5.719 1.00 0.00 N ATOM 1678 CA VAL A 110 12.059 -5.282 -5.079 1.00 0.00 C ATOM 1679 C VAL A 110 11.270 -6.198 -6.014 1.00 0.00 C ATOM 1680 O VAL A 110 11.635 -7.358 -6.211 1.00 0.00 O ATOM 1681 CB VAL A 110 11.273 -5.113 -3.759 1.00 0.00 C ATOM 1682 CG1 VAL A 110 11.118 -6.455 -3.057 1.00 0.00 C ATOM 1683 CG2 VAL A 110 11.954 -4.101 -2.845 1.00 0.00 C ATOM 0 H VAL A 110 11.841 -3.207 -5.302 1.00 0.00 H new ATOM 0 HA VAL A 110 13.026 -5.731 -4.853 1.00 0.00 H new ATOM 0 HB VAL A 110 10.280 -4.733 -3.999 1.00 0.00 H new ATOM 0 HG11 VAL A 110 10.562 -6.318 -2.129 1.00 0.00 H new ATOM 0 HG12 VAL A 110 10.578 -7.145 -3.705 1.00 0.00 H new ATOM 0 HG13 VAL A 110 12.103 -6.864 -2.833 1.00 0.00 H new ATOM 0 HG21 VAL A 110 11.381 -4.000 -1.923 1.00 0.00 H new ATOM 0 HG22 VAL A 110 12.962 -4.443 -2.610 1.00 0.00 H new ATOM 0 HG23 VAL A 110 12.006 -3.135 -3.347 1.00 0.00 H new ATOM 1693 N ARG A 111 10.190 -5.668 -6.589 1.00 0.00 N ATOM 1694 CA ARG A 111 9.352 -6.435 -7.509 1.00 0.00 C ATOM 1695 C ARG A 111 10.163 -6.918 -8.708 1.00 0.00 C ATOM 1696 O ARG A 111 10.061 -8.079 -9.107 1.00 0.00 O ATOM 1697 CB ARG A 111 8.165 -5.594 -7.982 1.00 0.00 C ATOM 1698 CG ARG A 111 7.202 -5.218 -6.867 1.00 0.00 C ATOM 1699 CD ARG A 111 6.298 -6.384 -6.496 1.00 0.00 C ATOM 1700 NE ARG A 111 5.596 -6.157 -5.235 1.00 0.00 N ATOM 1701 CZ ARG A 111 4.874 -7.085 -4.603 1.00 0.00 C ATOM 1702 NH1 ARG A 111 4.761 -8.311 -5.106 1.00 0.00 N ATOM 1703 NH2 ARG A 111 4.267 -6.785 -3.460 1.00 0.00 N ATOM 0 H ARG A 111 9.876 -4.710 -6.433 1.00 0.00 H new ATOM 0 HA ARG A 111 8.974 -7.306 -6.974 1.00 0.00 H new ATOM 0 HB2 ARG A 111 8.539 -4.683 -8.450 1.00 0.00 H new ATOM 0 HB3 ARG A 111 7.622 -6.146 -8.749 1.00 0.00 H new ATOM 0 HG2 ARG A 111 7.765 -4.899 -5.990 1.00 0.00 H new ATOM 0 HG3 ARG A 111 6.594 -4.370 -7.181 1.00 0.00 H new ATOM 0 HD2 ARG A 111 5.570 -6.545 -7.291 1.00 0.00 H new ATOM 0 HD3 ARG A 111 6.894 -7.294 -6.420 1.00 0.00 H new ATOM 0 HE ARG A 111 5.662 -5.232 -4.811 1.00 0.00 H new ATOM 0 HH11 ARG A 111 5.228 -8.548 -5.981 1.00 0.00 H new ATOM 0 HH12 ARG A 111 4.207 -9.014 -4.617 1.00 0.00 H new ATOM 0 HH21 ARG A 111 4.353 -5.848 -3.067 1.00 0.00 H new ATOM 0 HH22 ARG A 111 3.715 -7.492 -2.975 1.00 0.00 H new ATOM 1717 N GLN A 112 10.975 -6.023 -9.276 1.00 0.00 N ATOM 1718 CA GLN A 112 11.812 -6.366 -10.424 1.00 0.00 C ATOM 1719 C GLN A 112 12.742 -7.530 -10.087 1.00 0.00 C ATOM 1720 O GLN A 112 12.979 -8.403 -10.921 1.00 0.00 O ATOM 1721 CB GLN A 112 12.633 -5.156 -10.877 1.00 0.00 C ATOM 1722 CG GLN A 112 11.854 -4.183 -11.747 1.00 0.00 C ATOM 1723 CD GLN A 112 12.719 -3.522 -12.803 1.00 0.00 C ATOM 1724 OE1 GLN A 112 13.071 -4.138 -13.808 1.00 0.00 O ATOM 1725 NE2 GLN A 112 13.066 -2.258 -12.581 1.00 0.00 N ATOM 0 H GLN A 112 11.069 -5.058 -8.959 1.00 0.00 H new ATOM 0 HA GLN A 112 11.155 -6.668 -11.239 1.00 0.00 H new ATOM 0 HB2 GLN A 112 13.002 -4.628 -9.998 1.00 0.00 H new ATOM 0 HB3 GLN A 112 13.505 -5.506 -11.429 1.00 0.00 H new ATOM 0 HG2 GLN A 112 11.035 -4.712 -12.233 1.00 0.00 H new ATOM 0 HG3 GLN A 112 11.407 -3.415 -11.116 1.00 0.00 H new ATOM 0 HE21 GLN A 112 12.752 -1.784 -11.734 1.00 0.00 H new ATOM 0 HE22 GLN A 112 13.646 -1.762 -13.258 1.00 0.00 H new ATOM 1734 N LYS A 113 13.258 -7.537 -8.856 1.00 0.00 N ATOM 1735 CA LYS A 113 14.152 -8.601 -8.408 1.00 0.00 C ATOM 1736 C LYS A 113 13.435 -9.948 -8.402 1.00 0.00 C ATOM 1737 O LYS A 113 13.965 -10.940 -8.899 1.00 0.00 O ATOM 1738 CB LYS A 113 14.699 -8.291 -7.010 1.00 0.00 C ATOM 1739 CG LYS A 113 16.210 -8.119 -6.973 1.00 0.00 C ATOM 1740 CD LYS A 113 16.665 -7.413 -5.705 1.00 0.00 C ATOM 1741 CE LYS A 113 17.194 -8.400 -4.673 1.00 0.00 C ATOM 1742 NZ LYS A 113 18.632 -8.166 -4.353 1.00 0.00 N ATOM 0 H LYS A 113 13.072 -6.819 -8.155 1.00 0.00 H new ATOM 0 HA LYS A 113 14.986 -8.656 -9.108 1.00 0.00 H new ATOM 0 HB2 LYS A 113 14.229 -7.381 -6.638 1.00 0.00 H new ATOM 0 HB3 LYS A 113 14.416 -9.096 -6.331 1.00 0.00 H new ATOM 0 HG2 LYS A 113 16.689 -9.096 -7.037 1.00 0.00 H new ATOM 0 HG3 LYS A 113 16.533 -7.548 -7.843 1.00 0.00 H new ATOM 0 HD2 LYS A 113 17.443 -6.690 -5.950 1.00 0.00 H new ATOM 0 HD3 LYS A 113 15.832 -6.853 -5.280 1.00 0.00 H new ATOM 0 HE2 LYS A 113 16.603 -8.320 -3.761 1.00 0.00 H new ATOM 0 HE3 LYS A 113 17.068 -9.416 -5.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 18.948 -8.861 -3.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 19.201 -8.268 -5.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 18.751 -7.206 -3.971 1.00 0.00 H new ATOM 1756 N ILE A 114 12.222 -9.979 -7.845 1.00 0.00 N ATOM 1757 CA ILE A 114 11.439 -11.215 -7.789 1.00 0.00 C ATOM 1758 C ILE A 114 11.185 -11.770 -9.192 1.00 0.00 C ATOM 1759 O ILE A 114 11.313 -12.972 -9.423 1.00 0.00 O ATOM 1760 CB ILE A 114 10.083 -11.011 -7.072 1.00 0.00 C ATOM 1761 CG1 ILE A 114 10.286 -10.363 -5.698 1.00 0.00 C ATOM 1762 CG2 ILE A 114 9.352 -12.340 -6.927 1.00 0.00 C ATOM 1763 CD1 ILE A 114 11.231 -11.128 -4.796 1.00 0.00 C ATOM 0 H ILE A 114 11.763 -9.168 -7.429 1.00 0.00 H new ATOM 0 HA ILE A 114 12.030 -11.929 -7.216 1.00 0.00 H new ATOM 0 HB ILE A 114 9.474 -10.342 -7.680 1.00 0.00 H new ATOM 0 HG12 ILE A 114 10.669 -9.352 -5.836 1.00 0.00 H new ATOM 0 HG13 ILE A 114 9.319 -10.272 -5.203 1.00 0.00 H new ATOM 0 HG21 ILE A 114 8.400 -12.178 -6.421 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.170 -12.765 -7.914 1.00 0.00 H new ATOM 0 HG23 ILE A 114 9.962 -13.029 -6.342 1.00 0.00 H new ATOM 0 HD11 ILE A 114 11.324 -10.608 -3.842 1.00 0.00 H new ATOM 0 HD12 ILE A 114 10.840 -12.131 -4.626 1.00 0.00 H new ATOM 0 HD13 ILE A 114 12.210 -11.196 -5.269 1.00 0.00 H new ATOM 1775 N GLU A 115 10.826 -10.883 -10.121 1.00 0.00 N ATOM 1776 CA GLU A 115 10.557 -11.279 -11.503 1.00 0.00 C ATOM 1777 C GLU A 115 11.831 -11.758 -12.197 1.00 0.00 C ATOM 1778 O GLU A 115 11.808 -12.727 -12.952 1.00 0.00 O ATOM 1779 CB GLU A 115 9.951 -10.111 -12.284 1.00 0.00 C ATOM 1780 CG GLU A 115 8.980 -10.542 -13.373 1.00 0.00 C ATOM 1781 CD GLU A 115 9.614 -10.549 -14.749 1.00 0.00 C ATOM 1782 OE1 GLU A 115 9.638 -9.482 -15.397 1.00 0.00 O ATOM 1783 OE2 GLU A 115 10.091 -11.621 -15.178 1.00 0.00 O ATOM 0 H GLU A 115 10.715 -9.885 -9.941 1.00 0.00 H new ATOM 0 HA GLU A 115 9.845 -12.104 -11.480 1.00 0.00 H new ATOM 0 HB2 GLU A 115 9.433 -9.450 -11.589 1.00 0.00 H new ATOM 0 HB3 GLU A 115 10.756 -9.531 -12.736 1.00 0.00 H new ATOM 0 HG2 GLU A 115 8.604 -11.539 -13.145 1.00 0.00 H new ATOM 0 HG3 GLU A 115 8.122 -9.870 -13.376 1.00 0.00 H new