USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 888 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 78 CYS SG : rot -149:sc= -0.462 USER MOD Set 1.2: A 82 ASN : amide:sc= 0.00994 K(o=-0.45,f=-1.3) USER MOD Set 2.1: A 6 CYS SG : rot 170:sc= 0 USER MOD Set 2.2: A 56 MET CE :methyl -118:sc= -0.726 (180deg=-0.978) USER MOD Set 2.3: A 61 TYR OH : rot -90:sc= -0.748 USER MOD Set 3.1: A 21 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.0645 K(o=-0.064,f=-1.3) USER MOD Single : A 4 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.056) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= -6.05! C(o=-6!,f=-6.9!) USER MOD Single : A 26 TYR OH : rot -116:sc= -2.15! USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -0.564 X(o=-0.56,f=-0.24) USER MOD Single : A 39 TYR OH : rot 180:sc= -0.0525 USER MOD Single : A 40 HIS : no HD1:sc= -0.524 X(o=-0.52,f=-0.74) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.0344 X(o=-0.034,f=0) USER MOD Single : A 47 MET CE :methyl 159:sc= -0.388 (180deg=-0.966) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.0059 X(o=-0.0059,f=0) USER MOD Single : A 65 GLN : amide:sc= -0.616 K(o=-0.62,f=-4.2!) USER MOD Single : A 74 MET CE :methyl 167:sc= 0 (180deg=-0.0701) USER MOD Single : A 76 SER OG : rot -23:sc= 0.555 USER MOD Single : A 77 ASN :FLIP amide:sc= -1.24 F(o=-2.2,f=-1.2) USER MOD Single : A 79 TYR OH : rot 130:sc= -0.541 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= -2.91 X(o=-2.9,f=-3.2) USER MOD Single : A 91 MET CE :methyl -128:sc= -0.231 (180deg=-2.14!) USER MOD Single : A 96 GLN : amide:sc= 0.135 X(o=0.14,f=-0.17) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 MET CE :methyl 152:sc= -1.41 (180deg=-2.14) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -16.868 11.493 -1.572 1.00 0.00 N ATOM 2 CA GLU A 1 -16.218 10.196 -1.909 1.00 0.00 C ATOM 3 C GLU A 1 -14.835 10.085 -1.271 1.00 0.00 C ATOM 4 O GLU A 1 -13.996 10.973 -1.431 1.00 0.00 O ATOM 5 CB GLU A 1 -16.101 10.079 -3.434 1.00 0.00 C ATOM 6 CG GLU A 1 -17.023 9.031 -4.037 1.00 0.00 C ATOM 7 CD GLU A 1 -18.366 9.603 -4.446 1.00 0.00 C ATOM 8 OE1 GLU A 1 -19.241 9.747 -3.567 1.00 0.00 O ATOM 9 OE2 GLU A 1 -18.540 9.910 -5.644 1.00 0.00 O ATOM 0 H1 GLU A 1 -17.806 11.538 -2.020 1.00 0.00 H new ATOM 0 H2 GLU A 1 -16.973 11.571 -0.540 1.00 0.00 H new ATOM 0 H3 GLU A 1 -16.280 12.277 -1.920 1.00 0.00 H new ATOM 0 HA GLU A 1 -16.831 9.385 -1.516 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -16.323 11.047 -3.882 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -15.070 9.837 -3.693 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -16.541 8.586 -4.908 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -17.178 8.230 -3.314 1.00 0.00 H new ATOM 18 N GLN A 2 -14.601 8.986 -0.554 1.00 0.00 N ATOM 19 CA GLN A 2 -13.314 8.756 0.101 1.00 0.00 C ATOM 20 C GLN A 2 -12.258 8.282 -0.903 1.00 0.00 C ATOM 21 O GLN A 2 -11.059 8.451 -0.673 1.00 0.00 O ATOM 22 CB GLN A 2 -13.458 7.734 1.235 1.00 0.00 C ATOM 23 CG GLN A 2 -13.591 8.360 2.617 1.00 0.00 C ATOM 24 CD GLN A 2 -12.398 9.220 2.999 1.00 0.00 C ATOM 25 OE1 GLN A 2 -11.306 9.067 2.453 1.00 0.00 O ATOM 26 NE2 GLN A 2 -12.602 10.131 3.945 1.00 0.00 N ATOM 0 H GLN A 2 -15.285 8.242 -0.412 1.00 0.00 H new ATOM 0 HA GLN A 2 -12.984 9.705 0.523 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -14.333 7.113 1.042 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -12.591 7.074 1.228 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -14.495 8.968 2.648 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -13.713 7.569 3.357 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -13.523 10.225 4.372 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -11.837 10.736 4.244 1.00 0.00 H new ATOM 35 N LEU A 3 -12.707 7.697 -2.020 1.00 0.00 N ATOM 36 CA LEU A 3 -11.792 7.212 -3.056 1.00 0.00 C ATOM 37 C LEU A 3 -10.883 8.339 -3.555 1.00 0.00 C ATOM 38 O LEU A 3 -9.724 8.104 -3.896 1.00 0.00 O ATOM 39 CB LEU A 3 -12.578 6.612 -4.230 1.00 0.00 C ATOM 40 CG LEU A 3 -12.388 5.105 -4.437 1.00 0.00 C ATOM 41 CD1 LEU A 3 -13.640 4.485 -5.041 1.00 0.00 C ATOM 42 CD2 LEU A 3 -11.178 4.834 -5.321 1.00 0.00 C ATOM 0 H LEU A 3 -13.695 7.549 -2.228 1.00 0.00 H new ATOM 0 HA LEU A 3 -11.168 6.435 -2.615 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -13.639 6.811 -4.077 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -12.286 7.128 -5.144 1.00 0.00 H new ATOM 0 HG LEU A 3 -12.213 4.646 -3.464 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -13.485 3.415 -5.180 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -14.485 4.645 -4.371 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -13.848 4.950 -6.005 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -11.060 3.759 -5.456 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -11.323 5.308 -6.292 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -10.284 5.241 -4.849 1.00 0.00 H new ATOM 54 N LYS A 4 -11.416 9.563 -3.585 1.00 0.00 N ATOM 55 CA LYS A 4 -10.650 10.725 -4.031 1.00 0.00 C ATOM 56 C LYS A 4 -9.471 10.992 -3.093 1.00 0.00 C ATOM 57 O LYS A 4 -8.364 11.284 -3.545 1.00 0.00 O ATOM 58 CB LYS A 4 -11.551 11.961 -4.107 1.00 0.00 C ATOM 59 CG LYS A 4 -10.974 13.086 -4.955 1.00 0.00 C ATOM 60 CD LYS A 4 -11.976 13.584 -5.986 1.00 0.00 C ATOM 61 CE LYS A 4 -12.058 12.648 -7.185 1.00 0.00 C ATOM 62 NZ LYS A 4 -10.868 12.769 -8.077 1.00 0.00 N ATOM 0 H LYS A 4 -12.374 9.773 -3.306 1.00 0.00 H new ATOM 0 HA LYS A 4 -10.258 10.511 -5.026 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -12.519 11.670 -4.515 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -11.729 12.333 -3.098 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.675 13.912 -4.309 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.075 12.736 -5.461 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -12.960 13.673 -5.525 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -11.690 14.581 -6.321 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.145 11.619 -6.835 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.961 12.868 -7.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.034 12.232 -8.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.709 13.770 -8.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.030 12.389 -7.592 1.00 0.00 H new ATOM 76 N HIS A 5 -9.718 10.882 -1.787 1.00 0.00 N ATOM 77 CA HIS A 5 -8.678 11.105 -0.784 1.00 0.00 C ATOM 78 C HIS A 5 -7.577 10.051 -0.893 1.00 0.00 C ATOM 79 O HIS A 5 -6.396 10.359 -0.722 1.00 0.00 O ATOM 80 CB HIS A 5 -9.280 11.084 0.624 1.00 0.00 C ATOM 81 CG HIS A 5 -9.760 12.425 1.088 1.00 0.00 C ATOM 82 ND1 HIS A 5 -8.984 13.284 1.837 1.00 0.00 N ATOM 83 CD2 HIS A 5 -10.944 13.055 0.902 1.00 0.00 C ATOM 84 CE1 HIS A 5 -9.670 14.384 2.093 1.00 0.00 C ATOM 85 NE2 HIS A 5 -10.861 14.270 1.537 1.00 0.00 N ATOM 0 H HIS A 5 -10.630 10.640 -1.400 1.00 0.00 H new ATOM 0 HA HIS A 5 -8.238 12.085 -0.969 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -10.113 10.382 0.644 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -8.533 10.712 1.325 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -11.794 12.674 0.356 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -9.316 15.232 2.661 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -11.601 14.971 1.573 1.00 0.00 H new ATOM 94 N CYS A 6 -7.970 8.808 -1.183 1.00 0.00 N ATOM 95 CA CYS A 6 -7.014 7.710 -1.321 1.00 0.00 C ATOM 96 C CYS A 6 -5.984 8.017 -2.407 1.00 0.00 C ATOM 97 O CYS A 6 -4.802 7.704 -2.258 1.00 0.00 O ATOM 98 CB CYS A 6 -7.740 6.401 -1.648 1.00 0.00 C ATOM 99 SG CYS A 6 -6.712 4.922 -1.480 1.00 0.00 S ATOM 0 H CYS A 6 -8.943 8.538 -1.326 1.00 0.00 H new ATOM 0 HA CYS A 6 -6.494 7.598 -0.370 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -8.605 6.305 -0.992 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -8.118 6.453 -2.669 1.00 0.00 H new ATOM 0 HG CYS A 6 -7.459 3.862 -1.567 1.00 0.00 H new ATOM 105 N ASN A 7 -6.443 8.637 -3.497 1.00 0.00 N ATOM 106 CA ASN A 7 -5.564 8.994 -4.609 1.00 0.00 C ATOM 107 C ASN A 7 -4.426 9.899 -4.141 1.00 0.00 C ATOM 108 O ASN A 7 -3.292 9.774 -4.606 1.00 0.00 O ATOM 109 CB ASN A 7 -6.363 9.687 -5.718 1.00 0.00 C ATOM 110 CG ASN A 7 -6.496 8.825 -6.959 1.00 0.00 C ATOM 111 OD1 ASN A 7 -5.512 8.554 -7.647 1.00 0.00 O ATOM 112 ND2 ASN A 7 -7.716 8.389 -7.253 1.00 0.00 N ATOM 0 H ASN A 7 -7.419 8.901 -3.632 1.00 0.00 H new ATOM 0 HA ASN A 7 -5.130 8.075 -5.003 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -7.356 9.937 -5.345 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.875 10.626 -5.981 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -7.864 7.806 -8.077 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -8.504 8.637 -6.655 1.00 0.00 H new ATOM 119 N VAL A 8 -4.733 10.807 -3.214 1.00 0.00 N ATOM 120 CA VAL A 8 -3.734 11.729 -2.679 1.00 0.00 C ATOM 121 C VAL A 8 -2.624 10.968 -1.955 1.00 0.00 C ATOM 122 O VAL A 8 -1.444 11.287 -2.102 1.00 0.00 O ATOM 123 CB VAL A 8 -4.363 12.754 -1.709 1.00 0.00 C ATOM 124 CG1 VAL A 8 -3.348 13.820 -1.324 1.00 0.00 C ATOM 125 CG2 VAL A 8 -5.605 13.389 -2.324 1.00 0.00 C ATOM 0 H VAL A 8 -5.666 10.923 -2.819 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.313 12.267 -3.528 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.665 12.226 -0.804 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.810 14.532 -0.641 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.494 13.350 -0.836 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.011 14.342 -2.220 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.031 14.107 -1.624 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.333 13.900 -3.247 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.340 12.614 -2.541 1.00 0.00 H new ATOM 135 N ILE A 9 -3.011 9.954 -1.181 1.00 0.00 N ATOM 136 CA ILE A 9 -2.049 9.141 -0.441 1.00 0.00 C ATOM 137 C ILE A 9 -1.134 8.375 -1.399 1.00 0.00 C ATOM 138 O ILE A 9 0.056 8.207 -1.130 1.00 0.00 O ATOM 139 CB ILE A 9 -2.755 8.142 0.504 1.00 0.00 C ATOM 140 CG1 ILE A 9 -3.790 8.864 1.376 1.00 0.00 C ATOM 141 CG2 ILE A 9 -1.734 7.422 1.376 1.00 0.00 C ATOM 142 CD1 ILE A 9 -4.544 7.944 2.313 1.00 0.00 C ATOM 0 H ILE A 9 -3.984 9.677 -1.051 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.451 9.824 0.162 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.274 7.402 -0.104 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.286 9.632 1.963 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.504 9.374 0.730 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.248 6.722 2.035 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.035 6.877 0.742 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.188 8.151 1.975 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.258 8.525 2.897 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.077 7.191 1.733 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.840 7.453 2.985 1.00 0.00 H new ATOM 154 N LEU A 10 -1.696 7.920 -2.522 1.00 0.00 N ATOM 155 CA LEU A 10 -0.927 7.180 -3.523 1.00 0.00 C ATOM 156 C LEU A 10 0.223 8.030 -4.066 1.00 0.00 C ATOM 157 O LEU A 10 1.346 7.544 -4.210 1.00 0.00 O ATOM 158 CB LEU A 10 -1.832 6.729 -4.675 1.00 0.00 C ATOM 159 CG LEU A 10 -1.506 5.348 -5.257 1.00 0.00 C ATOM 160 CD1 LEU A 10 -2.044 4.245 -4.356 1.00 0.00 C ATOM 161 CD2 LEU A 10 -2.074 5.216 -6.664 1.00 0.00 C ATOM 0 H LEU A 10 -2.679 8.051 -2.760 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.508 6.298 -3.038 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.864 6.724 -4.325 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.770 7.467 -5.475 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.422 5.245 -5.312 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.802 3.273 -4.787 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.590 4.328 -3.369 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.126 4.343 -4.267 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.834 4.230 -7.062 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.156 5.341 -6.633 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.639 5.982 -7.305 1.00 0.00 H new ATOM 173 N LYS A 11 -0.063 9.301 -4.361 1.00 0.00 N ATOM 174 CA LYS A 11 0.950 10.218 -4.882 1.00 0.00 C ATOM 175 C LYS A 11 2.111 10.370 -3.899 1.00 0.00 C ATOM 176 O LYS A 11 3.261 10.518 -4.309 1.00 0.00 O ATOM 177 CB LYS A 11 0.331 11.586 -5.179 1.00 0.00 C ATOM 178 CG LYS A 11 -0.262 11.694 -6.577 1.00 0.00 C ATOM 179 CD LYS A 11 -0.584 13.134 -6.943 1.00 0.00 C ATOM 180 CE LYS A 11 -1.856 13.616 -6.261 1.00 0.00 C ATOM 181 NZ LYS A 11 -2.572 14.638 -7.076 1.00 0.00 N ATOM 0 H LYS A 11 -0.988 9.717 -4.247 1.00 0.00 H new ATOM 0 HA LYS A 11 1.339 9.797 -5.809 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.449 11.790 -4.445 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.093 12.355 -5.056 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.440 11.283 -7.302 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.169 11.093 -6.635 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.248 13.777 -6.657 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.696 13.219 -8.024 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.516 12.767 -6.082 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.608 14.037 -5.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.433 14.940 -6.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.952 15.460 -7.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.832 14.229 -7.996 1.00 0.00 H new ATOM 195 N GLU A 12 1.803 10.321 -2.601 1.00 0.00 N ATOM 196 CA GLU A 12 2.823 10.443 -1.561 1.00 0.00 C ATOM 197 C GLU A 12 3.778 9.246 -1.587 1.00 0.00 C ATOM 198 O GLU A 12 4.975 9.392 -1.333 1.00 0.00 O ATOM 199 CB GLU A 12 2.168 10.557 -0.182 1.00 0.00 C ATOM 200 CG GLU A 12 3.078 11.158 0.878 1.00 0.00 C ATOM 201 CD GLU A 12 3.026 12.673 0.898 1.00 0.00 C ATOM 202 OE1 GLU A 12 3.696 13.302 0.052 1.00 0.00 O ATOM 203 OE2 GLU A 12 2.312 13.231 1.760 1.00 0.00 O ATOM 0 H GLU A 12 0.855 10.198 -2.247 1.00 0.00 H new ATOM 0 HA GLU A 12 3.398 11.348 -1.758 1.00 0.00 H new ATOM 0 HB2 GLU A 12 1.269 11.168 -0.266 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.851 9.566 0.143 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.791 10.775 1.857 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.103 10.835 0.697 1.00 0.00 H new ATOM 210 N LEU A 13 3.239 8.065 -1.896 1.00 0.00 N ATOM 211 CA LEU A 13 4.039 6.841 -1.957 1.00 0.00 C ATOM 212 C LEU A 13 4.996 6.867 -3.152 1.00 0.00 C ATOM 213 O LEU A 13 6.156 6.470 -3.034 1.00 0.00 O ATOM 214 CB LEU A 13 3.128 5.610 -2.043 1.00 0.00 C ATOM 215 CG LEU A 13 2.135 5.446 -0.885 1.00 0.00 C ATOM 216 CD1 LEU A 13 1.092 4.390 -1.223 1.00 0.00 C ATOM 217 CD2 LEU A 13 2.867 5.085 0.401 1.00 0.00 C ATOM 0 H LEU A 13 2.250 7.931 -2.108 1.00 0.00 H new ATOM 0 HA LEU A 13 4.631 6.783 -1.044 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.567 5.658 -2.976 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.753 4.719 -2.092 1.00 0.00 H new ATOM 0 HG LEU A 13 1.624 6.397 -0.732 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.396 4.287 -0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.546 4.691 -2.117 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.586 3.435 -1.403 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.146 4.973 1.211 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.406 4.148 0.262 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.574 5.876 0.652 1.00 0.00 H new ATOM 229 N LEU A 14 4.502 7.337 -4.298 1.00 0.00 N ATOM 230 CA LEU A 14 5.311 7.418 -5.517 1.00 0.00 C ATOM 231 C LEU A 14 6.048 8.763 -5.631 1.00 0.00 C ATOM 232 O LEU A 14 6.785 8.985 -6.593 1.00 0.00 O ATOM 233 CB LEU A 14 4.421 7.228 -6.751 1.00 0.00 C ATOM 234 CG LEU A 14 4.294 5.790 -7.256 1.00 0.00 C ATOM 235 CD1 LEU A 14 2.827 5.416 -7.430 1.00 0.00 C ATOM 236 CD2 LEU A 14 5.053 5.617 -8.567 1.00 0.00 C ATOM 0 H LEU A 14 3.544 7.668 -4.409 1.00 0.00 H new ATOM 0 HA LEU A 14 6.056 6.625 -5.463 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.424 7.603 -6.519 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.814 7.845 -7.559 1.00 0.00 H new ATOM 0 HG LEU A 14 4.733 5.121 -6.516 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.753 4.390 -7.790 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.313 5.502 -6.472 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.363 6.088 -8.152 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.952 4.588 -8.913 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.643 6.293 -9.317 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.107 5.846 -8.410 1.00 0.00 H new ATOM 248 N SER A 15 5.834 9.663 -4.664 1.00 0.00 N ATOM 249 CA SER A 15 6.465 10.986 -4.681 1.00 0.00 C ATOM 250 C SER A 15 7.995 10.894 -4.722 1.00 0.00 C ATOM 251 O SER A 15 8.603 11.088 -5.775 1.00 0.00 O ATOM 252 CB SER A 15 6.012 11.806 -3.466 1.00 0.00 C ATOM 253 OG SER A 15 6.589 13.101 -3.477 1.00 0.00 O ATOM 0 H SER A 15 5.228 9.498 -3.860 1.00 0.00 H new ATOM 0 HA SER A 15 6.145 11.489 -5.594 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.925 11.889 -3.465 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.293 11.288 -2.549 1.00 0.00 H new ATOM 0 HG SER A 15 6.282 13.602 -2.693 1.00 0.00 H new ATOM 259 N LYS A 16 8.611 10.607 -3.573 1.00 0.00 N ATOM 260 CA LYS A 16 10.070 10.499 -3.489 1.00 0.00 C ATOM 261 C LYS A 16 10.509 9.965 -2.124 1.00 0.00 C ATOM 262 O LYS A 16 11.326 9.047 -2.048 1.00 0.00 O ATOM 263 CB LYS A 16 10.732 11.856 -3.763 1.00 0.00 C ATOM 264 CG LYS A 16 10.396 12.929 -2.738 1.00 0.00 C ATOM 265 CD LYS A 16 10.580 14.325 -3.310 1.00 0.00 C ATOM 266 CE LYS A 16 9.789 15.363 -2.528 1.00 0.00 C ATOM 267 NZ LYS A 16 9.222 16.418 -3.415 1.00 0.00 N ATOM 0 H LYS A 16 8.125 10.446 -2.691 1.00 0.00 H new ATOM 0 HA LYS A 16 10.393 9.791 -4.252 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.813 11.722 -3.791 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.428 12.204 -4.750 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.366 12.805 -2.404 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.032 12.808 -1.861 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.638 14.587 -3.296 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.263 14.336 -4.353 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.980 14.871 -1.987 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.436 15.825 -1.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.691 17.105 -2.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.994 16.906 -3.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.584 15.981 -4.111 1.00 0.00 H new ATOM 281 N LYS A 17 9.957 10.535 -1.048 1.00 0.00 N ATOM 282 CA LYS A 17 10.293 10.100 0.308 1.00 0.00 C ATOM 283 C LYS A 17 9.962 8.621 0.494 1.00 0.00 C ATOM 284 O LYS A 17 10.718 7.882 1.127 1.00 0.00 O ATOM 285 CB LYS A 17 9.542 10.938 1.348 1.00 0.00 C ATOM 286 CG LYS A 17 10.354 12.099 1.898 1.00 0.00 C ATOM 287 CD LYS A 17 10.061 12.339 3.371 1.00 0.00 C ATOM 288 CE LYS A 17 10.571 13.698 3.829 1.00 0.00 C ATOM 289 NZ LYS A 17 9.677 14.317 4.848 1.00 0.00 N ATOM 0 H LYS A 17 9.279 11.295 -1.091 1.00 0.00 H new ATOM 0 HA LYS A 17 11.364 10.242 0.452 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.628 11.326 0.898 1.00 0.00 H new ATOM 0 HB3 LYS A 17 9.242 10.293 2.174 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.417 11.895 1.766 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.130 13.002 1.330 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.987 12.276 3.544 1.00 0.00 H new ATOM 0 HD3 LYS A 17 10.527 11.555 3.968 1.00 0.00 H new ATOM 0 HE2 LYS A 17 11.572 13.588 4.245 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.654 14.362 2.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.062 15.241 5.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.728 14.447 4.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.617 13.696 5.680 1.00 0.00 H new ATOM 303 N HIS A 18 8.831 8.197 -0.069 1.00 0.00 N ATOM 304 CA HIS A 18 8.398 6.806 0.023 1.00 0.00 C ATOM 305 C HIS A 18 8.690 6.038 -1.267 1.00 0.00 C ATOM 306 O HIS A 18 8.549 4.815 -1.307 1.00 0.00 O ATOM 307 CB HIS A 18 6.906 6.739 0.344 1.00 0.00 C ATOM 308 CG HIS A 18 6.571 7.308 1.684 1.00 0.00 C ATOM 309 ND1 HIS A 18 5.652 8.319 1.866 1.00 0.00 N ATOM 310 CD2 HIS A 18 7.054 7.014 2.914 1.00 0.00 C ATOM 311 CE1 HIS A 18 5.585 8.622 3.149 1.00 0.00 C ATOM 312 NE2 HIS A 18 6.426 7.844 3.806 1.00 0.00 N ATOM 0 H HIS A 18 8.198 8.800 -0.595 1.00 0.00 H new ATOM 0 HA HIS A 18 8.963 6.336 0.828 1.00 0.00 H new ATOM 0 HB2 HIS A 18 6.350 7.279 -0.423 1.00 0.00 H new ATOM 0 HB3 HIS A 18 6.578 5.700 0.304 1.00 0.00 H new ATOM 0 HD2 HIS A 18 7.796 6.265 3.149 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.950 9.378 3.587 1.00 0.00 H new ATOM 0 HE2 HIS A 18 6.583 7.858 4.814 1.00 0.00 H new ATOM 321 N ALA A 19 9.101 6.755 -2.320 1.00 0.00 N ATOM 322 CA ALA A 19 9.414 6.129 -3.602 1.00 0.00 C ATOM 323 C ALA A 19 10.469 5.037 -3.443 1.00 0.00 C ATOM 324 O ALA A 19 10.359 3.975 -4.054 1.00 0.00 O ATOM 325 CB ALA A 19 9.885 7.171 -4.605 1.00 0.00 C ATOM 0 H ALA A 19 9.223 7.768 -2.306 1.00 0.00 H new ATOM 0 HA ALA A 19 8.501 5.666 -3.976 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.113 6.686 -5.554 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.100 7.912 -4.756 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.780 7.664 -4.225 1.00 0.00 H new ATOM 331 N ALA A 20 11.485 5.302 -2.613 1.00 0.00 N ATOM 332 CA ALA A 20 12.556 4.331 -2.366 1.00 0.00 C ATOM 333 C ALA A 20 11.993 2.996 -1.874 1.00 0.00 C ATOM 334 O ALA A 20 12.561 1.937 -2.146 1.00 0.00 O ATOM 335 CB ALA A 20 13.561 4.884 -1.365 1.00 0.00 C ATOM 0 H ALA A 20 11.587 6.179 -2.102 1.00 0.00 H new ATOM 0 HA ALA A 20 13.067 4.153 -3.312 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.348 4.149 -1.195 1.00 0.00 H new ATOM 0 HB2 ALA A 20 14.000 5.801 -1.759 1.00 0.00 H new ATOM 0 HB3 ALA A 20 13.056 5.099 -0.423 1.00 0.00 H new ATOM 341 N TYR A 21 10.868 3.057 -1.161 1.00 0.00 N ATOM 342 CA TYR A 21 10.209 1.858 -0.643 1.00 0.00 C ATOM 343 C TYR A 21 9.025 1.459 -1.537 1.00 0.00 C ATOM 344 O TYR A 21 8.470 0.367 -1.395 1.00 0.00 O ATOM 345 CB TYR A 21 9.719 2.090 0.792 1.00 0.00 C ATOM 346 CG TYR A 21 10.691 2.857 1.663 1.00 0.00 C ATOM 347 CD1 TYR A 21 10.768 4.243 1.600 1.00 0.00 C ATOM 348 CD2 TYR A 21 11.529 2.194 2.548 1.00 0.00 C ATOM 349 CE1 TYR A 21 11.654 4.945 2.392 1.00 0.00 C ATOM 350 CE2 TYR A 21 12.419 2.889 3.344 1.00 0.00 C ATOM 351 CZ TYR A 21 12.477 4.263 3.264 1.00 0.00 C ATOM 352 OH TYR A 21 13.363 4.957 4.056 1.00 0.00 O ATOM 0 H TYR A 21 10.392 3.929 -0.928 1.00 0.00 H new ATOM 0 HA TYR A 21 10.938 1.048 -0.642 1.00 0.00 H new ATOM 0 HB2 TYR A 21 8.774 2.631 0.758 1.00 0.00 H new ATOM 0 HB3 TYR A 21 9.517 1.124 1.256 1.00 0.00 H new ATOM 0 HD1 TYR A 21 10.124 4.780 0.920 1.00 0.00 H new ATOM 0 HD2 TYR A 21 11.485 1.117 2.616 1.00 0.00 H new ATOM 0 HE1 TYR A 21 11.703 6.022 2.329 1.00 0.00 H new ATOM 0 HE2 TYR A 21 13.066 2.358 4.026 1.00 0.00 H new ATOM 0 HH TYR A 21 13.867 4.327 4.613 1.00 0.00 H new ATOM 362 N ALA A 22 8.642 2.354 -2.454 1.00 0.00 N ATOM 363 CA ALA A 22 7.529 2.109 -3.363 1.00 0.00 C ATOM 364 C ALA A 22 7.930 1.208 -4.529 1.00 0.00 C ATOM 365 O ALA A 22 7.197 0.283 -4.869 1.00 0.00 O ATOM 366 CB ALA A 22 6.978 3.427 -3.889 1.00 0.00 C ATOM 0 H ALA A 22 9.094 3.260 -2.583 1.00 0.00 H new ATOM 0 HA ALA A 22 6.755 1.591 -2.797 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.147 3.230 -4.567 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.629 4.034 -3.054 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.763 3.962 -4.423 1.00 0.00 H new ATOM 372 N TRP A 23 9.086 1.480 -5.149 1.00 0.00 N ATOM 373 CA TRP A 23 9.542 0.675 -6.286 1.00 0.00 C ATOM 374 C TRP A 23 9.855 -0.777 -5.891 1.00 0.00 C ATOM 375 O TRP A 23 9.550 -1.691 -6.658 1.00 0.00 O ATOM 376 CB TRP A 23 10.746 1.320 -6.991 1.00 0.00 C ATOM 377 CG TRP A 23 12.000 1.352 -6.176 1.00 0.00 C ATOM 378 CD1 TRP A 23 12.439 2.379 -5.396 1.00 0.00 C ATOM 379 CD2 TRP A 23 12.984 0.316 -6.068 1.00 0.00 C ATOM 380 NE1 TRP A 23 13.624 2.043 -4.796 1.00 0.00 N ATOM 381 CE2 TRP A 23 13.984 0.783 -5.195 1.00 0.00 C ATOM 382 CE3 TRP A 23 13.114 -0.962 -6.620 1.00 0.00 C ATOM 383 CZ2 TRP A 23 15.099 0.018 -4.862 1.00 0.00 C ATOM 384 CZ3 TRP A 23 14.221 -1.720 -6.289 1.00 0.00 C ATOM 385 CH2 TRP A 23 15.201 -1.228 -5.418 1.00 0.00 C ATOM 0 H TRP A 23 9.713 2.240 -4.886 1.00 0.00 H new ATOM 0 HA TRP A 23 8.711 0.645 -6.991 1.00 0.00 H new ATOM 0 HB2 TRP A 23 10.943 0.777 -7.916 1.00 0.00 H new ATOM 0 HB3 TRP A 23 10.483 2.340 -7.270 1.00 0.00 H new ATOM 0 HD1 TRP A 23 11.927 3.321 -5.269 1.00 0.00 H new ATOM 0 HE1 TRP A 23 14.153 2.635 -4.156 1.00 0.00 H new ATOM 0 HE3 TRP A 23 12.363 -1.350 -7.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 15.856 0.394 -4.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 14.332 -2.709 -6.709 1.00 0.00 H new ATOM 0 HH2 TRP A 23 16.055 -1.845 -5.180 1.00 0.00 H new ATOM 396 N PRO A 24 10.453 -1.035 -4.698 1.00 0.00 N ATOM 397 CA PRO A 24 10.762 -2.405 -4.272 1.00 0.00 C ATOM 398 C PRO A 24 9.495 -3.225 -4.033 1.00 0.00 C ATOM 399 O PRO A 24 9.454 -4.418 -4.336 1.00 0.00 O ATOM 400 CB PRO A 24 11.542 -2.221 -2.967 1.00 0.00 C ATOM 401 CG PRO A 24 11.135 -0.883 -2.463 1.00 0.00 C ATOM 402 CD PRO A 24 10.860 -0.045 -3.680 1.00 0.00 C ATOM 0 HA PRO A 24 11.322 -2.951 -5.031 1.00 0.00 H new ATOM 0 HB2 PRO A 24 11.300 -3.004 -2.248 1.00 0.00 H new ATOM 0 HB3 PRO A 24 12.617 -2.268 -3.140 1.00 0.00 H new ATOM 0 HG2 PRO A 24 10.249 -0.957 -1.833 1.00 0.00 H new ATOM 0 HG3 PRO A 24 11.923 -0.440 -1.854 1.00 0.00 H new ATOM 0 HD2 PRO A 24 10.073 0.686 -3.494 1.00 0.00 H new ATOM 0 HD3 PRO A 24 11.744 0.511 -3.992 1.00 0.00 H new ATOM 410 N PHE A 25 8.460 -2.571 -3.500 1.00 0.00 N ATOM 411 CA PHE A 25 7.186 -3.236 -3.233 1.00 0.00 C ATOM 412 C PHE A 25 6.193 -3.043 -4.389 1.00 0.00 C ATOM 413 O PHE A 25 5.063 -3.533 -4.331 1.00 0.00 O ATOM 414 CB PHE A 25 6.585 -2.715 -1.924 1.00 0.00 C ATOM 415 CG PHE A 25 7.274 -3.252 -0.699 1.00 0.00 C ATOM 416 CD1 PHE A 25 8.416 -2.641 -0.203 1.00 0.00 C ATOM 417 CD2 PHE A 25 6.783 -4.371 -0.047 1.00 0.00 C ATOM 418 CE1 PHE A 25 9.053 -3.136 0.918 1.00 0.00 C ATOM 419 CE2 PHE A 25 7.416 -4.871 1.074 1.00 0.00 C ATOM 420 CZ PHE A 25 8.553 -4.253 1.557 1.00 0.00 C ATOM 0 H PHE A 25 8.481 -1.583 -3.246 1.00 0.00 H new ATOM 0 HA PHE A 25 7.380 -4.304 -3.139 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.639 -1.626 -1.915 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.529 -2.982 -1.885 1.00 0.00 H new ATOM 0 HD1 PHE A 25 8.812 -1.767 -0.699 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.894 -4.858 -0.420 1.00 0.00 H new ATOM 0 HE1 PHE A 25 9.941 -2.650 1.294 1.00 0.00 H new ATOM 0 HE2 PHE A 25 7.022 -5.744 1.573 1.00 0.00 H new ATOM 0 HZ PHE A 25 9.050 -4.643 2.433 1.00 0.00 H new ATOM 430 N TYR A 26 6.618 -2.329 -5.439 1.00 0.00 N ATOM 431 CA TYR A 26 5.767 -2.079 -6.598 1.00 0.00 C ATOM 432 C TYR A 26 5.660 -3.323 -7.480 1.00 0.00 C ATOM 433 O TYR A 26 4.559 -3.750 -7.831 1.00 0.00 O ATOM 434 CB TYR A 26 6.321 -0.912 -7.420 1.00 0.00 C ATOM 435 CG TYR A 26 5.267 0.075 -7.866 1.00 0.00 C ATOM 436 CD1 TYR A 26 4.220 -0.324 -8.687 1.00 0.00 C ATOM 437 CD2 TYR A 26 5.322 1.408 -7.472 1.00 0.00 C ATOM 438 CE1 TYR A 26 3.258 0.575 -9.102 1.00 0.00 C ATOM 439 CE2 TYR A 26 4.363 2.311 -7.884 1.00 0.00 C ATOM 440 CZ TYR A 26 3.333 1.890 -8.699 1.00 0.00 C ATOM 441 OH TYR A 26 2.378 2.787 -9.115 1.00 0.00 O ATOM 0 H TYR A 26 7.548 -1.916 -5.505 1.00 0.00 H new ATOM 0 HA TYR A 26 4.771 -1.825 -6.234 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.070 -0.386 -6.828 1.00 0.00 H new ATOM 0 HB3 TYR A 26 6.830 -1.308 -8.299 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.158 -1.354 -9.006 1.00 0.00 H new ATOM 0 HD2 TYR A 26 6.127 1.741 -6.834 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.450 0.249 -9.740 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.419 3.343 -7.570 1.00 0.00 H new ATOM 0 HH TYR A 26 2.796 3.474 -9.675 1.00 0.00 H new ATOM 451 N LYS A 27 6.813 -3.892 -7.838 1.00 0.00 N ATOM 452 CA LYS A 27 6.858 -5.084 -8.685 1.00 0.00 C ATOM 453 C LYS A 27 6.118 -6.253 -8.034 1.00 0.00 C ATOM 454 O LYS A 27 6.250 -6.490 -6.832 1.00 0.00 O ATOM 455 CB LYS A 27 8.310 -5.481 -8.970 1.00 0.00 C ATOM 456 CG LYS A 27 8.553 -5.912 -10.409 1.00 0.00 C ATOM 457 CD LYS A 27 10.036 -6.081 -10.700 1.00 0.00 C ATOM 458 CE LYS A 27 10.501 -5.142 -11.804 1.00 0.00 C ATOM 459 NZ LYS A 27 11.969 -5.243 -12.041 1.00 0.00 N ATOM 0 H LYS A 27 7.729 -3.545 -7.554 1.00 0.00 H new ATOM 0 HA LYS A 27 6.361 -4.844 -9.625 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.961 -4.638 -8.737 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.593 -6.295 -8.303 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.035 -6.852 -10.600 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.131 -5.171 -11.088 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.609 -5.889 -9.793 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.235 -7.112 -10.991 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.968 -5.374 -12.726 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.246 -4.116 -11.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.244 -4.587 -12.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.479 -4.996 -11.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.210 -6.216 -12.320 1.00 0.00 H new ATOM 473 N PRO A 28 5.326 -7.002 -8.828 1.00 0.00 N ATOM 474 CA PRO A 28 4.561 -8.151 -8.329 1.00 0.00 C ATOM 475 C PRO A 28 5.434 -9.381 -8.086 1.00 0.00 C ATOM 476 O PRO A 28 6.659 -9.325 -8.217 1.00 0.00 O ATOM 477 CB PRO A 28 3.567 -8.420 -9.458 1.00 0.00 C ATOM 478 CG PRO A 28 4.267 -7.962 -10.689 1.00 0.00 C ATOM 479 CD PRO A 28 5.111 -6.786 -10.275 1.00 0.00 C ATOM 0 HA PRO A 28 4.097 -7.943 -7.365 1.00 0.00 H new ATOM 0 HB2 PRO A 28 3.311 -9.478 -9.517 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.636 -7.875 -9.305 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.885 -8.758 -11.105 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.552 -7.676 -11.461 1.00 0.00 H new ATOM 0 HD2 PRO A 28 6.054 -6.758 -10.820 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.603 -5.841 -10.468 1.00 0.00 H new ATOM 487 N VAL A 29 4.789 -10.492 -7.740 1.00 0.00 N ATOM 488 CA VAL A 29 5.492 -11.742 -7.487 1.00 0.00 C ATOM 489 C VAL A 29 5.086 -12.799 -8.512 1.00 0.00 C ATOM 490 O VAL A 29 4.208 -13.626 -8.257 1.00 0.00 O ATOM 491 CB VAL A 29 5.218 -12.267 -6.061 1.00 0.00 C ATOM 492 CG1 VAL A 29 6.135 -13.438 -5.735 1.00 0.00 C ATOM 493 CG2 VAL A 29 5.380 -11.151 -5.037 1.00 0.00 C ATOM 0 H VAL A 29 3.777 -10.550 -7.629 1.00 0.00 H new ATOM 0 HA VAL A 29 6.560 -11.542 -7.578 1.00 0.00 H new ATOM 0 HB VAL A 29 4.188 -12.620 -6.018 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.926 -13.794 -4.726 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.962 -14.245 -6.447 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.174 -13.115 -5.798 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.183 -11.542 -4.039 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.398 -10.763 -5.080 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.676 -10.349 -5.258 1.00 0.00 H new ATOM 503 N ASP A 30 5.729 -12.756 -9.679 1.00 0.00 N ATOM 504 CA ASP A 30 5.439 -13.697 -10.757 1.00 0.00 C ATOM 505 C ASP A 30 6.029 -15.073 -10.455 1.00 0.00 C ATOM 506 O ASP A 30 7.063 -15.452 -11.006 1.00 0.00 O ATOM 507 CB ASP A 30 5.988 -13.171 -12.089 1.00 0.00 C ATOM 508 CG ASP A 30 5.519 -11.761 -12.396 1.00 0.00 C ATOM 509 OD1 ASP A 30 6.152 -10.805 -11.900 1.00 0.00 O ATOM 510 OD2 ASP A 30 4.520 -11.614 -13.131 1.00 0.00 O ATOM 0 H ASP A 30 6.456 -12.076 -9.901 1.00 0.00 H new ATOM 0 HA ASP A 30 4.356 -13.796 -10.835 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.077 -13.190 -12.062 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.678 -13.837 -12.894 1.00 0.00 H new ATOM 515 N ALA A 31 5.362 -15.818 -9.572 1.00 0.00 N ATOM 516 CA ALA A 31 5.815 -17.155 -9.191 1.00 0.00 C ATOM 517 C ALA A 31 5.948 -18.076 -10.404 1.00 0.00 C ATOM 518 O ALA A 31 6.794 -18.969 -10.418 1.00 0.00 O ATOM 519 CB ALA A 31 4.865 -17.765 -8.172 1.00 0.00 C ATOM 0 H ALA A 31 4.505 -15.517 -9.107 1.00 0.00 H new ATOM 0 HA ALA A 31 6.803 -17.051 -8.743 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.215 -18.760 -7.898 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.831 -17.135 -7.283 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.867 -17.838 -8.603 1.00 0.00 H new ATOM 525 N SER A 32 5.112 -17.855 -11.423 1.00 0.00 N ATOM 526 CA SER A 32 5.150 -18.670 -12.638 1.00 0.00 C ATOM 527 C SER A 32 6.446 -18.436 -13.418 1.00 0.00 C ATOM 528 O SER A 32 7.004 -19.368 -13.998 1.00 0.00 O ATOM 529 CB SER A 32 3.942 -18.366 -13.530 1.00 0.00 C ATOM 530 OG SER A 32 2.814 -19.127 -13.135 1.00 0.00 O ATOM 0 H SER A 32 4.404 -17.121 -11.430 1.00 0.00 H new ATOM 0 HA SER A 32 5.113 -19.717 -12.336 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.705 -17.303 -13.477 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.188 -18.586 -14.569 1.00 0.00 H new ATOM 0 HG SER A 32 2.055 -18.914 -13.718 1.00 0.00 H new ATOM 536 N ALA A 33 6.918 -17.188 -13.425 1.00 0.00 N ATOM 537 CA ALA A 33 8.148 -16.833 -14.130 1.00 0.00 C ATOM 538 C ALA A 33 9.373 -17.041 -13.240 1.00 0.00 C ATOM 539 O ALA A 33 10.348 -17.668 -13.651 1.00 0.00 O ATOM 540 CB ALA A 33 8.082 -15.390 -14.614 1.00 0.00 C ATOM 0 H ALA A 33 6.466 -16.407 -12.950 1.00 0.00 H new ATOM 0 HA ALA A 33 8.245 -17.490 -14.994 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.005 -15.139 -15.137 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.237 -15.272 -15.292 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.957 -14.725 -13.759 1.00 0.00 H new ATOM 546 N LEU A 34 9.314 -16.509 -12.018 1.00 0.00 N ATOM 547 CA LEU A 34 10.418 -16.636 -11.065 1.00 0.00 C ATOM 548 C LEU A 34 10.615 -18.087 -10.625 1.00 0.00 C ATOM 549 O LEU A 34 11.738 -18.509 -10.349 1.00 0.00 O ATOM 550 CB LEU A 34 10.169 -15.758 -9.835 1.00 0.00 C ATOM 551 CG LEU A 34 10.376 -14.257 -10.050 1.00 0.00 C ATOM 552 CD1 LEU A 34 9.080 -13.496 -9.806 1.00 0.00 C ATOM 553 CD2 LEU A 34 11.484 -13.738 -9.142 1.00 0.00 C ATOM 0 H LEU A 34 8.513 -15.986 -11.665 1.00 0.00 H new ATOM 0 HA LEU A 34 11.324 -16.304 -11.571 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.147 -15.922 -9.493 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.830 -16.088 -9.034 1.00 0.00 H new ATOM 0 HG LEU A 34 10.675 -14.095 -11.085 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.248 -12.431 -9.964 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.315 -13.849 -10.498 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.748 -13.663 -8.781 1.00 0.00 H new ATOM 0 HD21 LEU A 34 11.619 -12.669 -9.307 1.00 0.00 H new ATOM 0 HD22 LEU A 34 11.213 -13.913 -8.101 1.00 0.00 H new ATOM 0 HD23 LEU A 34 12.414 -14.260 -9.368 1.00 0.00 H new ATOM 565 N GLY A 35 9.517 -18.839 -10.549 1.00 0.00 N ATOM 566 CA GLY A 35 9.589 -20.229 -10.130 1.00 0.00 C ATOM 567 C GLY A 35 9.497 -20.387 -8.621 1.00 0.00 C ATOM 568 O GLY A 35 10.095 -21.301 -8.052 1.00 0.00 O ATOM 0 H GLY A 35 8.578 -18.509 -10.771 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.781 -20.789 -10.601 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.525 -20.663 -10.481 1.00 0.00 H new ATOM 572 N LEU A 36 8.745 -19.495 -7.974 1.00 0.00 N ATOM 573 CA LEU A 36 8.577 -19.538 -6.523 1.00 0.00 C ATOM 574 C LEU A 36 7.273 -20.238 -6.145 1.00 0.00 C ATOM 575 O LEU A 36 6.280 -19.587 -5.811 1.00 0.00 O ATOM 576 CB LEU A 36 8.602 -18.121 -5.939 1.00 0.00 C ATOM 577 CG LEU A 36 9.762 -17.240 -6.410 1.00 0.00 C ATOM 578 CD1 LEU A 36 9.498 -15.780 -6.070 1.00 0.00 C ATOM 579 CD2 LEU A 36 11.072 -17.710 -5.792 1.00 0.00 C ATOM 0 H LEU A 36 8.243 -18.735 -8.433 1.00 0.00 H new ATOM 0 HA LEU A 36 9.407 -20.107 -6.104 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.665 -17.625 -6.192 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.641 -18.194 -4.852 1.00 0.00 H new ATOM 0 HG LEU A 36 9.844 -17.327 -7.493 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.334 -15.170 -6.413 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.583 -15.451 -6.562 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.388 -15.672 -4.991 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.886 -17.073 -6.137 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.003 -17.654 -4.706 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.266 -18.740 -6.090 1.00 0.00 H new ATOM 591 N HIS A 37 7.285 -21.570 -6.194 1.00 0.00 N ATOM 592 CA HIS A 37 6.103 -22.361 -5.849 1.00 0.00 C ATOM 593 C HIS A 37 5.792 -22.253 -4.357 1.00 0.00 C ATOM 594 O HIS A 37 4.627 -22.190 -3.962 1.00 0.00 O ATOM 595 CB HIS A 37 6.294 -23.833 -6.242 1.00 0.00 C ATOM 596 CG HIS A 37 7.479 -24.491 -5.598 1.00 0.00 C ATOM 597 ND1 HIS A 37 8.695 -24.634 -6.229 1.00 0.00 N ATOM 598 CD2 HIS A 37 7.625 -25.050 -4.372 1.00 0.00 C ATOM 599 CE1 HIS A 37 9.538 -25.252 -5.421 1.00 0.00 C ATOM 600 NE2 HIS A 37 8.914 -25.514 -4.287 1.00 0.00 N ATOM 0 H HIS A 37 8.097 -22.123 -6.468 1.00 0.00 H new ATOM 0 HA HIS A 37 5.260 -21.959 -6.410 1.00 0.00 H new ATOM 0 HB2 HIS A 37 5.395 -24.388 -5.976 1.00 0.00 H new ATOM 0 HB3 HIS A 37 6.400 -23.898 -7.325 1.00 0.00 H new ATOM 0 HD2 HIS A 37 6.868 -25.118 -3.605 1.00 0.00 H new ATOM 0 HE1 HIS A 37 10.564 -25.501 -5.649 1.00 0.00 H new ATOM 0 HE2 HIS A 37 9.323 -25.984 -3.480 1.00 0.00 H new ATOM 609 N ASP A 38 6.843 -22.229 -3.532 1.00 0.00 N ATOM 610 CA ASP A 38 6.681 -22.126 -2.083 1.00 0.00 C ATOM 611 C ASP A 38 6.034 -20.797 -1.695 1.00 0.00 C ATOM 612 O ASP A 38 5.252 -20.737 -0.747 1.00 0.00 O ATOM 613 CB ASP A 38 8.033 -22.277 -1.376 1.00 0.00 C ATOM 614 CG ASP A 38 7.938 -23.109 -0.109 1.00 0.00 C ATOM 615 OD1 ASP A 38 6.992 -22.893 0.678 1.00 0.00 O ATOM 616 OD2 ASP A 38 8.812 -23.976 0.096 1.00 0.00 O ATOM 0 H ASP A 38 7.813 -22.280 -3.844 1.00 0.00 H new ATOM 0 HA ASP A 38 6.024 -22.935 -1.764 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.746 -22.740 -2.058 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.423 -21.289 -1.130 1.00 0.00 H new ATOM 621 N TYR A 39 6.359 -19.735 -2.437 1.00 0.00 N ATOM 622 CA TYR A 39 5.800 -18.410 -2.171 1.00 0.00 C ATOM 623 C TYR A 39 4.272 -18.457 -2.176 1.00 0.00 C ATOM 624 O TYR A 39 3.624 -17.888 -1.298 1.00 0.00 O ATOM 625 CB TYR A 39 6.296 -17.399 -3.210 1.00 0.00 C ATOM 626 CG TYR A 39 6.116 -15.954 -2.792 1.00 0.00 C ATOM 627 CD1 TYR A 39 4.856 -15.365 -2.773 1.00 0.00 C ATOM 628 CD2 TYR A 39 7.206 -15.181 -2.415 1.00 0.00 C ATOM 629 CE1 TYR A 39 4.691 -14.048 -2.391 1.00 0.00 C ATOM 630 CE2 TYR A 39 7.049 -13.863 -2.032 1.00 0.00 C ATOM 631 CZ TYR A 39 5.789 -13.302 -2.021 1.00 0.00 C ATOM 632 OH TYR A 39 5.627 -11.989 -1.637 1.00 0.00 O ATOM 0 H TYR A 39 7.006 -19.768 -3.225 1.00 0.00 H new ATOM 0 HA TYR A 39 6.136 -18.093 -1.184 1.00 0.00 H new ATOM 0 HB2 TYR A 39 7.353 -17.582 -3.406 1.00 0.00 H new ATOM 0 HB3 TYR A 39 5.765 -17.565 -4.147 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.993 -15.947 -3.062 1.00 0.00 H new ATOM 0 HD2 TYR A 39 8.194 -15.618 -2.421 1.00 0.00 H new ATOM 0 HE1 TYR A 39 3.706 -13.605 -2.382 1.00 0.00 H new ATOM 0 HE2 TYR A 39 7.908 -13.275 -1.743 1.00 0.00 H new ATOM 0 HH TYR A 39 6.499 -11.606 -1.406 1.00 0.00 H new ATOM 642 N HIS A 40 3.704 -19.145 -3.167 1.00 0.00 N ATOM 643 CA HIS A 40 2.253 -19.270 -3.282 1.00 0.00 C ATOM 644 C HIS A 40 1.695 -20.255 -2.251 1.00 0.00 C ATOM 645 O HIS A 40 0.530 -20.162 -1.868 1.00 0.00 O ATOM 646 CB HIS A 40 1.863 -19.713 -4.694 1.00 0.00 C ATOM 647 CG HIS A 40 0.598 -19.083 -5.192 1.00 0.00 C ATOM 648 ND1 HIS A 40 -0.341 -19.764 -5.938 1.00 0.00 N ATOM 649 CD2 HIS A 40 0.119 -17.823 -5.049 1.00 0.00 C ATOM 650 CE1 HIS A 40 -1.341 -18.952 -6.233 1.00 0.00 C ATOM 651 NE2 HIS A 40 -1.085 -17.769 -5.706 1.00 0.00 N ATOM 0 H HIS A 40 4.227 -19.623 -3.900 1.00 0.00 H new ATOM 0 HA HIS A 40 1.820 -18.289 -3.085 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.675 -19.469 -5.379 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.749 -20.797 -4.707 1.00 0.00 H new ATOM 0 HD2 HIS A 40 0.596 -17.013 -4.517 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -2.218 -19.212 -6.807 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -1.685 -16.947 -5.776 1.00 0.00 H new ATOM 660 N ASP A 41 2.529 -21.194 -1.802 1.00 0.00 N ATOM 661 CA ASP A 41 2.105 -22.182 -0.812 1.00 0.00 C ATOM 662 C ASP A 41 1.931 -21.539 0.564 1.00 0.00 C ATOM 663 O ASP A 41 1.020 -21.898 1.312 1.00 0.00 O ATOM 664 CB ASP A 41 3.117 -23.328 -0.728 1.00 0.00 C ATOM 665 CG ASP A 41 2.503 -24.664 -1.094 1.00 0.00 C ATOM 666 OD1 ASP A 41 2.472 -24.993 -2.299 1.00 0.00 O ATOM 667 OD2 ASP A 41 2.047 -25.380 -0.178 1.00 0.00 O ATOM 0 H ASP A 41 3.498 -21.290 -2.107 1.00 0.00 H new ATOM 0 HA ASP A 41 1.143 -22.582 -1.131 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.954 -23.120 -1.395 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.520 -23.381 0.283 1.00 0.00 H new ATOM 672 N ILE A 42 2.810 -20.590 0.893 1.00 0.00 N ATOM 673 CA ILE A 42 2.751 -19.902 2.182 1.00 0.00 C ATOM 674 C ILE A 42 1.846 -18.670 2.118 1.00 0.00 C ATOM 675 O ILE A 42 1.026 -18.449 3.011 1.00 0.00 O ATOM 676 CB ILE A 42 4.154 -19.467 2.662 1.00 0.00 C ATOM 677 CG1 ILE A 42 5.145 -20.632 2.567 1.00 0.00 C ATOM 678 CG2 ILE A 42 4.087 -18.940 4.091 1.00 0.00 C ATOM 679 CD1 ILE A 42 6.594 -20.198 2.618 1.00 0.00 C ATOM 0 H ILE A 42 3.569 -20.282 0.285 1.00 0.00 H new ATOM 0 HA ILE A 42 2.337 -20.617 2.893 1.00 0.00 H new ATOM 0 HB ILE A 42 4.505 -18.666 2.012 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.954 -21.329 3.383 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.969 -21.174 1.638 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.083 -18.638 4.414 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.416 -18.082 4.131 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.714 -19.723 4.751 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.239 -21.074 2.546 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.802 -19.525 1.786 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.786 -19.682 3.559 1.00 0.00 H new ATOM 691 N ILE A 43 2.006 -17.865 1.068 1.00 0.00 N ATOM 692 CA ILE A 43 1.208 -16.651 0.903 1.00 0.00 C ATOM 693 C ILE A 43 -0.152 -16.952 0.265 1.00 0.00 C ATOM 694 O ILE A 43 -1.194 -16.624 0.834 1.00 0.00 O ATOM 695 CB ILE A 43 1.951 -15.593 0.050 1.00 0.00 C ATOM 696 CG1 ILE A 43 3.381 -15.386 0.567 1.00 0.00 C ATOM 697 CG2 ILE A 43 1.189 -14.276 0.051 1.00 0.00 C ATOM 698 CD1 ILE A 43 3.456 -14.976 2.023 1.00 0.00 C ATOM 0 H ILE A 43 2.680 -18.031 0.320 1.00 0.00 H new ATOM 0 HA ILE A 43 1.047 -16.249 1.903 1.00 0.00 H new ATOM 0 HB ILE A 43 2.007 -15.959 -0.975 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.943 -16.310 0.431 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.869 -14.624 -0.040 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.726 -13.545 -0.553 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.194 -14.431 -0.366 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.101 -13.908 1.073 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.499 -14.850 2.312 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.924 -14.035 2.164 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.999 -15.748 2.642 1.00 0.00 H new ATOM 710 N LYS A 44 -0.127 -17.570 -0.923 1.00 0.00 N ATOM 711 CA LYS A 44 -1.342 -17.925 -1.668 1.00 0.00 C ATOM 712 C LYS A 44 -1.927 -16.727 -2.429 1.00 0.00 C ATOM 713 O LYS A 44 -2.590 -16.908 -3.452 1.00 0.00 O ATOM 714 CB LYS A 44 -2.397 -18.528 -0.737 1.00 0.00 C ATOM 715 CG LYS A 44 -3.157 -19.698 -1.350 1.00 0.00 C ATOM 716 CD LYS A 44 -4.343 -19.226 -2.181 1.00 0.00 C ATOM 717 CE LYS A 44 -5.662 -19.435 -1.449 1.00 0.00 C ATOM 718 NZ LYS A 44 -6.503 -20.484 -2.094 1.00 0.00 N ATOM 0 H LYS A 44 0.737 -17.838 -1.395 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.053 -18.673 -2.406 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.912 -18.862 0.180 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.108 -17.751 -0.456 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.483 -20.282 -1.977 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.508 -20.359 -0.558 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.223 -18.169 -2.420 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.362 -19.766 -3.127 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.461 -19.717 -0.415 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.214 -18.495 -1.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.390 -20.593 -1.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.717 -20.204 -3.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.989 -21.388 -2.097 1.00 0.00 H new ATOM 732 N HIS A 45 -1.683 -15.511 -1.935 1.00 0.00 N ATOM 733 CA HIS A 45 -2.191 -14.304 -2.584 1.00 0.00 C ATOM 734 C HIS A 45 -1.179 -13.159 -2.480 1.00 0.00 C ATOM 735 O HIS A 45 -1.263 -12.323 -1.578 1.00 0.00 O ATOM 736 CB HIS A 45 -3.526 -13.886 -1.959 1.00 0.00 C ATOM 737 CG HIS A 45 -4.716 -14.215 -2.808 1.00 0.00 C ATOM 738 ND1 HIS A 45 -5.330 -13.295 -3.632 1.00 0.00 N ATOM 739 CD2 HIS A 45 -5.409 -15.370 -2.955 1.00 0.00 C ATOM 740 CE1 HIS A 45 -6.348 -13.869 -4.248 1.00 0.00 C ATOM 741 NE2 HIS A 45 -6.417 -15.128 -3.856 1.00 0.00 N ATOM 0 H HIS A 45 -1.138 -15.338 -1.090 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.348 -14.527 -3.639 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.634 -14.376 -0.992 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.509 -12.812 -1.772 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -5.206 -16.306 -2.457 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.011 -13.390 -4.953 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -7.107 -15.810 -4.171 1.00 0.00 H new ATOM 750 N PRO A 46 -0.203 -13.109 -3.409 1.00 0.00 N ATOM 751 CA PRO A 46 0.829 -12.065 -3.421 1.00 0.00 C ATOM 752 C PRO A 46 0.268 -10.695 -3.809 1.00 0.00 C ATOM 753 O PRO A 46 -0.041 -10.445 -4.977 1.00 0.00 O ATOM 754 CB PRO A 46 1.828 -12.565 -4.470 1.00 0.00 C ATOM 755 CG PRO A 46 1.024 -13.432 -5.376 1.00 0.00 C ATOM 756 CD PRO A 46 -0.031 -14.070 -4.515 1.00 0.00 C ATOM 0 HA PRO A 46 1.271 -11.914 -2.436 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.279 -11.735 -5.014 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.642 -13.123 -4.007 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.572 -12.846 -6.176 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.651 -14.188 -5.849 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.960 -14.220 -5.064 1.00 0.00 H new ATOM 0 HD3 PRO A 46 0.285 -15.048 -4.151 1.00 0.00 H new ATOM 764 N MET A 47 0.136 -9.816 -2.815 1.00 0.00 N ATOM 765 CA MET A 47 -0.390 -8.471 -3.034 1.00 0.00 C ATOM 766 C MET A 47 0.740 -7.465 -3.235 1.00 0.00 C ATOM 767 O MET A 47 1.569 -7.264 -2.346 1.00 0.00 O ATOM 768 CB MET A 47 -1.260 -8.040 -1.847 1.00 0.00 C ATOM 769 CG MET A 47 -2.750 -8.023 -2.149 1.00 0.00 C ATOM 770 SD MET A 47 -3.343 -6.388 -2.627 1.00 0.00 S ATOM 771 CE MET A 47 -2.890 -6.355 -4.359 1.00 0.00 C ATOM 0 H MET A 47 0.388 -10.014 -1.847 1.00 0.00 H new ATOM 0 HA MET A 47 -0.998 -8.493 -3.938 1.00 0.00 H new ATOM 0 HB2 MET A 47 -1.076 -8.715 -1.011 1.00 0.00 H new ATOM 0 HB3 MET A 47 -0.953 -7.044 -1.527 1.00 0.00 H new ATOM 0 HG2 MET A 47 -2.963 -8.731 -2.950 1.00 0.00 H new ATOM 0 HG3 MET A 47 -3.299 -8.362 -1.270 1.00 0.00 H new ATOM 0 HE1 MET A 47 -3.493 -5.610 -4.879 1.00 0.00 H new ATOM 0 HE2 MET A 47 -1.835 -6.098 -4.454 1.00 0.00 H new ATOM 0 HE3 MET A 47 -3.066 -7.336 -4.800 1.00 0.00 H new ATOM 781 N ASP A 48 0.761 -6.833 -4.407 1.00 0.00 N ATOM 782 CA ASP A 48 1.783 -5.839 -4.732 1.00 0.00 C ATOM 783 C ASP A 48 1.139 -4.509 -5.125 1.00 0.00 C ATOM 784 O ASP A 48 -0.024 -4.469 -5.531 1.00 0.00 O ATOM 785 CB ASP A 48 2.676 -6.339 -5.872 1.00 0.00 C ATOM 786 CG ASP A 48 1.870 -6.810 -7.070 1.00 0.00 C ATOM 787 OD1 ASP A 48 1.441 -7.985 -7.073 1.00 0.00 O ATOM 788 OD2 ASP A 48 1.664 -6.003 -8.002 1.00 0.00 O ATOM 0 H ASP A 48 0.080 -6.992 -5.149 1.00 0.00 H new ATOM 0 HA ASP A 48 2.396 -5.684 -3.844 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.349 -5.539 -6.181 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.299 -7.158 -5.511 1.00 0.00 H new ATOM 793 N LEU A 49 1.902 -3.423 -4.998 1.00 0.00 N ATOM 794 CA LEU A 49 1.408 -2.085 -5.334 1.00 0.00 C ATOM 795 C LEU A 49 0.876 -2.006 -6.766 1.00 0.00 C ATOM 796 O LEU A 49 -0.097 -1.297 -7.028 1.00 0.00 O ATOM 797 CB LEU A 49 2.508 -1.040 -5.140 1.00 0.00 C ATOM 798 CG LEU A 49 2.210 0.019 -4.077 1.00 0.00 C ATOM 799 CD1 LEU A 49 3.399 0.951 -3.906 1.00 0.00 C ATOM 800 CD2 LEU A 49 0.957 0.804 -4.444 1.00 0.00 C ATOM 0 H LEU A 49 2.866 -3.443 -4.665 1.00 0.00 H new ATOM 0 HA LEU A 49 0.580 -1.877 -4.656 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.432 -1.552 -4.873 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.685 -0.539 -6.092 1.00 0.00 H new ATOM 0 HG LEU A 49 2.032 -0.484 -3.127 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.169 1.698 -3.146 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.271 0.375 -3.597 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.610 1.449 -4.852 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.759 1.553 -3.677 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.105 1.298 -5.404 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.109 0.123 -4.513 1.00 0.00 H new ATOM 812 N SER A 50 1.513 -2.727 -7.693 1.00 0.00 N ATOM 813 CA SER A 50 1.085 -2.713 -9.093 1.00 0.00 C ATOM 814 C SER A 50 -0.333 -3.263 -9.239 1.00 0.00 C ATOM 815 O SER A 50 -1.136 -2.730 -10.007 1.00 0.00 O ATOM 816 CB SER A 50 2.048 -3.523 -9.968 1.00 0.00 C ATOM 817 OG SER A 50 2.573 -2.729 -11.020 1.00 0.00 O ATOM 0 H SER A 50 2.319 -3.322 -7.501 1.00 0.00 H new ATOM 0 HA SER A 50 1.094 -1.676 -9.428 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.864 -3.907 -9.356 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.528 -4.386 -10.384 1.00 0.00 H new ATOM 0 HG SER A 50 3.186 -3.268 -11.562 1.00 0.00 H new ATOM 823 N THR A 51 -0.639 -4.329 -8.499 1.00 0.00 N ATOM 824 CA THR A 51 -1.964 -4.943 -8.554 1.00 0.00 C ATOM 825 C THR A 51 -3.034 -3.988 -8.027 1.00 0.00 C ATOM 826 O THR A 51 -4.120 -3.891 -8.599 1.00 0.00 O ATOM 827 CB THR A 51 -1.987 -6.247 -7.746 1.00 0.00 C ATOM 828 OG1 THR A 51 -1.052 -7.185 -8.256 1.00 0.00 O ATOM 829 CG2 THR A 51 -3.341 -6.919 -7.729 1.00 0.00 C ATOM 0 H THR A 51 0.011 -4.783 -7.857 1.00 0.00 H new ATOM 0 HA THR A 51 -2.184 -5.167 -9.598 1.00 0.00 H new ATOM 0 HB THR A 51 -1.729 -5.950 -6.729 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.087 -8.006 -7.721 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.285 -7.835 -7.140 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.075 -6.247 -7.286 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.640 -7.161 -8.749 1.00 0.00 H new ATOM 837 N VAL A 52 -2.721 -3.283 -6.939 1.00 0.00 N ATOM 838 CA VAL A 52 -3.661 -2.334 -6.346 1.00 0.00 C ATOM 839 C VAL A 52 -4.009 -1.219 -7.332 1.00 0.00 C ATOM 840 O VAL A 52 -5.143 -0.738 -7.360 1.00 0.00 O ATOM 841 CB VAL A 52 -3.104 -1.705 -5.049 1.00 0.00 C ATOM 842 CG1 VAL A 52 -4.174 -0.874 -4.356 1.00 0.00 C ATOM 843 CG2 VAL A 52 -2.566 -2.777 -4.109 1.00 0.00 C ATOM 0 H VAL A 52 -1.827 -3.351 -6.453 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.561 -2.899 -6.101 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.277 -1.048 -5.320 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.763 -0.439 -3.445 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.504 -0.077 -5.022 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.022 -1.510 -4.104 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.180 -2.307 -3.204 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.368 -3.466 -3.846 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.764 -3.325 -4.603 1.00 0.00 H new ATOM 853 N LYS A 53 -3.029 -0.816 -8.143 1.00 0.00 N ATOM 854 CA LYS A 53 -3.235 0.238 -9.133 1.00 0.00 C ATOM 855 C LYS A 53 -4.355 -0.133 -10.104 1.00 0.00 C ATOM 856 O LYS A 53 -5.229 0.685 -10.393 1.00 0.00 O ATOM 857 CB LYS A 53 -1.939 0.507 -9.904 1.00 0.00 C ATOM 858 CG LYS A 53 -1.823 1.930 -10.428 1.00 0.00 C ATOM 859 CD LYS A 53 -0.371 2.320 -10.661 1.00 0.00 C ATOM 860 CE LYS A 53 -0.242 3.765 -11.127 1.00 0.00 C ATOM 861 NZ LYS A 53 -0.610 3.930 -12.563 1.00 0.00 N ATOM 0 H LYS A 53 -2.086 -1.205 -8.132 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.527 1.145 -8.603 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.090 0.299 -9.253 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.875 -0.186 -10.743 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.380 2.022 -11.360 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.277 2.619 -9.716 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.195 2.183 -9.739 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.069 1.657 -11.406 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.882 4.401 -10.515 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.783 4.104 -10.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.507 4.928 -12.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.016 3.344 -13.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.596 3.632 -12.705 1.00 0.00 H new ATOM 875 N ARG A 54 -4.329 -1.373 -10.598 1.00 0.00 N ATOM 876 CA ARG A 54 -5.349 -1.850 -11.530 1.00 0.00 C ATOM 877 C ARG A 54 -6.742 -1.778 -10.899 1.00 0.00 C ATOM 878 O ARG A 54 -7.724 -1.480 -11.581 1.00 0.00 O ATOM 879 CB ARG A 54 -5.043 -3.284 -11.974 1.00 0.00 C ATOM 880 CG ARG A 54 -5.070 -3.470 -13.483 1.00 0.00 C ATOM 881 CD ARG A 54 -4.548 -4.840 -13.893 1.00 0.00 C ATOM 882 NE ARG A 54 -3.895 -4.809 -15.202 1.00 0.00 N ATOM 883 CZ ARG A 54 -4.545 -4.667 -16.362 1.00 0.00 C ATOM 884 NH1 ARG A 54 -5.871 -4.543 -16.384 1.00 0.00 N ATOM 885 NH2 ARG A 54 -3.866 -4.649 -17.504 1.00 0.00 N ATOM 0 H ARG A 54 -3.614 -2.063 -10.368 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.335 -1.201 -12.406 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -4.061 -3.571 -11.598 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.768 -3.959 -11.519 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.090 -3.346 -13.846 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.467 -2.695 -13.956 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.842 -5.198 -13.144 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.374 -5.550 -13.917 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.880 -4.902 -15.232 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.399 -4.556 -15.511 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.358 -4.435 -17.273 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.850 -4.743 -17.495 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.360 -4.541 -18.390 1.00 0.00 H new ATOM 899 N LYS A 55 -6.819 -2.045 -9.592 1.00 0.00 N ATOM 900 CA LYS A 55 -8.090 -2.001 -8.872 1.00 0.00 C ATOM 901 C LYS A 55 -8.687 -0.593 -8.904 1.00 0.00 C ATOM 902 O LYS A 55 -9.896 -0.433 -9.051 1.00 0.00 O ATOM 903 CB LYS A 55 -7.905 -2.459 -7.420 1.00 0.00 C ATOM 904 CG LYS A 55 -8.008 -3.965 -7.232 1.00 0.00 C ATOM 905 CD LYS A 55 -6.691 -4.659 -7.538 1.00 0.00 C ATOM 906 CE LYS A 55 -6.820 -6.170 -7.430 1.00 0.00 C ATOM 907 NZ LYS A 55 -6.863 -6.630 -6.012 1.00 0.00 N ATOM 0 H LYS A 55 -6.016 -2.293 -9.014 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.780 -2.682 -9.370 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.930 -2.124 -7.065 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.656 -1.973 -6.797 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.306 -4.185 -6.207 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.788 -4.361 -7.882 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.362 -4.392 -8.542 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.924 -4.308 -6.847 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.726 -6.494 -7.943 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.979 -6.642 -7.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.951 -7.666 -5.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.988 -6.345 -5.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.680 -6.201 -5.532 1.00 0.00 H new ATOM 921 N MET A 56 -7.833 0.426 -8.774 1.00 0.00 N ATOM 922 CA MET A 56 -8.289 1.819 -8.799 1.00 0.00 C ATOM 923 C MET A 56 -8.785 2.208 -10.194 1.00 0.00 C ATOM 924 O MET A 56 -9.708 3.012 -10.332 1.00 0.00 O ATOM 925 CB MET A 56 -7.163 2.773 -8.378 1.00 0.00 C ATOM 926 CG MET A 56 -6.367 2.307 -7.168 1.00 0.00 C ATOM 927 SD MET A 56 -5.318 3.607 -6.484 1.00 0.00 S ATOM 928 CE MET A 56 -6.545 4.797 -5.949 1.00 0.00 C ATOM 0 H MET A 56 -6.827 0.314 -8.651 1.00 0.00 H new ATOM 0 HA MET A 56 -9.113 1.904 -8.090 1.00 0.00 H new ATOM 0 HB2 MET A 56 -6.481 2.905 -9.218 1.00 0.00 H new ATOM 0 HB3 MET A 56 -7.593 3.751 -8.161 1.00 0.00 H new ATOM 0 HG2 MET A 56 -7.055 1.958 -6.398 1.00 0.00 H new ATOM 0 HG3 MET A 56 -5.747 1.456 -7.451 1.00 0.00 H new ATOM 0 HE1 MET A 56 -6.409 5.730 -6.496 1.00 0.00 H new ATOM 0 HE2 MET A 56 -7.543 4.404 -6.144 1.00 0.00 H new ATOM 0 HE3 MET A 56 -6.431 4.982 -4.881 1.00 0.00 H new ATOM 938 N GLU A 57 -8.162 1.633 -11.223 1.00 0.00 N ATOM 939 CA GLU A 57 -8.531 1.915 -12.610 1.00 0.00 C ATOM 940 C GLU A 57 -9.876 1.290 -12.970 1.00 0.00 C ATOM 941 O GLU A 57 -10.635 1.845 -13.765 1.00 0.00 O ATOM 942 CB GLU A 57 -7.452 1.397 -13.561 1.00 0.00 C ATOM 943 CG GLU A 57 -6.389 2.430 -13.894 1.00 0.00 C ATOM 944 CD GLU A 57 -6.576 3.036 -15.272 1.00 0.00 C ATOM 945 OE1 GLU A 57 -6.440 2.297 -16.270 1.00 0.00 O ATOM 946 OE2 GLU A 57 -6.858 4.250 -15.352 1.00 0.00 O ATOM 0 H GLU A 57 -7.397 0.967 -11.121 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.619 2.996 -12.714 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.973 0.526 -13.114 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.924 1.062 -14.485 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.411 3.223 -13.146 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.405 1.965 -13.836 1.00 0.00 H new ATOM 953 N ASN A 58 -10.161 0.129 -12.386 1.00 0.00 N ATOM 954 CA ASN A 58 -11.408 -0.577 -12.643 1.00 0.00 C ATOM 955 C ASN A 58 -12.427 -0.333 -11.530 1.00 0.00 C ATOM 956 O ASN A 58 -13.569 -0.786 -11.622 1.00 0.00 O ATOM 957 CB ASN A 58 -11.132 -2.078 -12.781 1.00 0.00 C ATOM 958 CG ASN A 58 -11.430 -2.594 -14.175 1.00 0.00 C ATOM 959 OD1 ASN A 58 -12.214 -3.526 -14.350 1.00 0.00 O ATOM 960 ND2 ASN A 58 -10.801 -1.989 -15.179 1.00 0.00 N ATOM 0 H ASN A 58 -9.540 -0.343 -11.729 1.00 0.00 H new ATOM 0 HA ASN A 58 -11.830 -0.195 -13.572 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -10.088 -2.277 -12.538 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -11.737 -2.624 -12.057 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -10.961 -2.294 -16.139 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -10.159 -1.220 -14.989 1.00 0.00 H new ATOM 967 N ARG A 59 -12.008 0.370 -10.470 1.00 0.00 N ATOM 968 CA ARG A 59 -12.878 0.652 -9.344 1.00 0.00 C ATOM 969 C ARG A 59 -13.239 -0.647 -8.624 1.00 0.00 C ATOM 970 O ARG A 59 -14.370 -0.829 -8.166 1.00 0.00 O ATOM 971 CB ARG A 59 -14.134 1.380 -9.814 1.00 0.00 C ATOM 972 CG ARG A 59 -14.849 2.137 -8.707 1.00 0.00 C ATOM 973 CD ARG A 59 -16.231 2.604 -9.140 1.00 0.00 C ATOM 974 NE ARG A 59 -16.165 3.753 -10.044 1.00 0.00 N ATOM 975 CZ ARG A 59 -16.067 3.662 -11.376 1.00 0.00 C ATOM 976 NH1 ARG A 59 -16.043 2.474 -11.979 1.00 0.00 N ATOM 977 NH2 ARG A 59 -15.998 4.767 -12.110 1.00 0.00 N ATOM 0 H ARG A 59 -11.066 0.751 -10.378 1.00 0.00 H new ATOM 0 HA ARG A 59 -12.353 1.300 -8.643 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -13.864 2.079 -10.605 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -14.822 0.656 -10.250 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -14.941 1.497 -7.830 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -14.251 2.999 -8.411 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -16.752 1.784 -9.634 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -16.816 2.869 -8.259 1.00 0.00 H new ATOM 0 HE ARG A 59 -16.196 4.685 -9.632 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -16.100 1.620 -11.425 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -15.968 2.419 -12.995 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -16.020 5.681 -11.658 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -15.923 4.701 -13.125 1.00 0.00 H new ATOM 991 N ASP A 60 -12.254 -1.544 -8.523 1.00 0.00 N ATOM 992 CA ASP A 60 -12.436 -2.829 -7.854 1.00 0.00 C ATOM 993 C ASP A 60 -12.970 -2.628 -6.439 1.00 0.00 C ATOM 994 O ASP A 60 -13.746 -3.442 -5.936 1.00 0.00 O ATOM 995 CB ASP A 60 -11.107 -3.587 -7.811 1.00 0.00 C ATOM 996 CG ASP A 60 -11.246 -4.991 -7.256 1.00 0.00 C ATOM 997 OD1 ASP A 60 -11.518 -5.918 -8.046 1.00 0.00 O ATOM 998 OD2 ASP A 60 -11.072 -5.165 -6.031 1.00 0.00 O ATOM 0 H ASP A 60 -11.317 -1.399 -8.900 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.164 -3.414 -8.417 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.692 -3.639 -8.817 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.396 -3.029 -7.201 1.00 0.00 H new ATOM 1003 N TYR A 61 -12.558 -1.528 -5.809 1.00 0.00 N ATOM 1004 CA TYR A 61 -13.003 -1.207 -4.464 1.00 0.00 C ATOM 1005 C TYR A 61 -13.649 0.172 -4.436 1.00 0.00 C ATOM 1006 O TYR A 61 -13.031 1.167 -4.822 1.00 0.00 O ATOM 1007 CB TYR A 61 -11.832 -1.268 -3.473 1.00 0.00 C ATOM 1008 CG TYR A 61 -10.756 -0.229 -3.720 1.00 0.00 C ATOM 1009 CD1 TYR A 61 -9.753 -0.450 -4.656 1.00 0.00 C ATOM 1010 CD2 TYR A 61 -10.745 0.971 -3.018 1.00 0.00 C ATOM 1011 CE1 TYR A 61 -8.770 0.495 -4.886 1.00 0.00 C ATOM 1012 CE2 TYR A 61 -9.766 1.920 -3.242 1.00 0.00 C ATOM 1013 CZ TYR A 61 -8.782 1.678 -4.176 1.00 0.00 C ATOM 1014 OH TYR A 61 -7.809 2.624 -4.399 1.00 0.00 O ATOM 0 H TYR A 61 -11.916 -0.847 -6.214 1.00 0.00 H new ATOM 0 HA TYR A 61 -13.744 -1.948 -4.163 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -12.219 -1.141 -2.462 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -11.382 -2.260 -3.520 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -9.741 -1.375 -5.213 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -11.515 1.165 -2.285 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -7.997 0.308 -5.617 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -9.772 2.847 -2.688 1.00 0.00 H new ATOM 0 HH TYR A 61 -7.052 2.462 -3.798 1.00 0.00 H new ATOM 1024 N ARG A 62 -14.893 0.229 -3.972 1.00 0.00 N ATOM 1025 CA ARG A 62 -15.613 1.493 -3.883 1.00 0.00 C ATOM 1026 C ARG A 62 -15.646 1.989 -2.439 1.00 0.00 C ATOM 1027 O ARG A 62 -16.557 2.721 -2.043 1.00 0.00 O ATOM 1028 CB ARG A 62 -17.038 1.339 -4.424 1.00 0.00 C ATOM 1029 CG ARG A 62 -17.095 0.857 -5.864 1.00 0.00 C ATOM 1030 CD ARG A 62 -18.442 1.163 -6.502 1.00 0.00 C ATOM 1031 NE ARG A 62 -19.300 -0.018 -6.573 1.00 0.00 N ATOM 1032 CZ ARG A 62 -19.175 -0.981 -7.491 1.00 0.00 C ATOM 1033 NH1 ARG A 62 -18.212 -0.923 -8.408 1.00 0.00 N ATOM 1034 NH2 ARG A 62 -20.014 -2.010 -7.487 1.00 0.00 N ATOM 0 H ARG A 62 -15.422 -0.583 -3.653 1.00 0.00 H new ATOM 0 HA ARG A 62 -15.089 2.230 -4.492 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -17.583 0.637 -3.793 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -17.551 2.298 -4.350 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -16.302 1.334 -6.440 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -16.911 -0.217 -5.897 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -18.945 1.942 -5.929 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -18.285 1.557 -7.506 1.00 0.00 H new ATOM 0 HE ARG A 62 -20.041 -0.113 -5.878 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -17.561 -0.138 -8.414 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -18.125 -1.663 -9.104 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -20.752 -2.064 -6.784 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -19.921 -2.747 -8.186 1.00 0.00 H new ATOM 1048 N ASP A 63 -14.644 1.583 -1.656 1.00 0.00 N ATOM 1049 CA ASP A 63 -14.556 1.978 -0.254 1.00 0.00 C ATOM 1050 C ASP A 63 -13.141 1.781 0.287 1.00 0.00 C ATOM 1051 O ASP A 63 -12.397 0.925 -0.193 1.00 0.00 O ATOM 1052 CB ASP A 63 -15.556 1.175 0.585 1.00 0.00 C ATOM 1053 CG ASP A 63 -15.693 1.696 2.004 1.00 0.00 C ATOM 1054 OD1 ASP A 63 -15.635 2.930 2.198 1.00 0.00 O ATOM 1055 OD2 ASP A 63 -15.860 0.870 2.922 1.00 0.00 O ATOM 0 H ASP A 63 -13.884 0.981 -1.972 1.00 0.00 H new ATOM 0 HA ASP A 63 -14.801 3.038 -0.186 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -16.531 1.199 0.099 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -15.241 0.132 0.616 1.00 0.00 H new ATOM 1060 N ALA A 64 -12.780 2.579 1.292 1.00 0.00 N ATOM 1061 CA ALA A 64 -11.456 2.494 1.905 1.00 0.00 C ATOM 1062 C ALA A 64 -11.253 1.164 2.630 1.00 0.00 C ATOM 1063 O ALA A 64 -10.123 0.691 2.753 1.00 0.00 O ATOM 1064 CB ALA A 64 -11.239 3.653 2.867 1.00 0.00 C ATOM 0 H ALA A 64 -13.386 3.291 1.698 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.720 2.553 1.103 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.248 3.574 3.314 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -11.318 4.595 2.325 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.995 3.621 3.652 1.00 0.00 H new ATOM 1070 N GLN A 65 -12.346 0.564 3.112 1.00 0.00 N ATOM 1071 CA GLN A 65 -12.268 -0.712 3.826 1.00 0.00 C ATOM 1072 C GLN A 65 -11.618 -1.790 2.960 1.00 0.00 C ATOM 1073 O GLN A 65 -10.819 -2.588 3.451 1.00 0.00 O ATOM 1074 CB GLN A 65 -13.660 -1.171 4.269 1.00 0.00 C ATOM 1075 CG GLN A 65 -14.315 -0.243 5.281 1.00 0.00 C ATOM 1076 CD GLN A 65 -13.700 -0.348 6.665 1.00 0.00 C ATOM 1077 OE1 GLN A 65 -12.552 -0.766 6.821 1.00 0.00 O ATOM 1078 NE2 GLN A 65 -14.464 0.033 7.682 1.00 0.00 N ATOM 0 H GLN A 65 -13.290 0.940 3.021 1.00 0.00 H new ATOM 0 HA GLN A 65 -11.648 -0.557 4.709 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -14.303 -1.251 3.392 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -13.584 -2.169 4.700 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -14.232 0.785 4.930 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -15.378 -0.474 5.343 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -15.410 0.373 7.510 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -14.105 -0.015 8.636 1.00 0.00 H new ATOM 1087 N GLU A 66 -11.956 -1.802 1.670 1.00 0.00 N ATOM 1088 CA GLU A 66 -11.393 -2.778 0.739 1.00 0.00 C ATOM 1089 C GLU A 66 -9.911 -2.497 0.486 1.00 0.00 C ATOM 1090 O GLU A 66 -9.100 -3.421 0.410 1.00 0.00 O ATOM 1091 CB GLU A 66 -12.163 -2.764 -0.584 1.00 0.00 C ATOM 1092 CG GLU A 66 -13.230 -3.847 -0.681 1.00 0.00 C ATOM 1093 CD GLU A 66 -14.572 -3.325 -1.170 1.00 0.00 C ATOM 1094 OE1 GLU A 66 -14.589 -2.392 -2.001 1.00 0.00 O ATOM 1095 OE2 GLU A 66 -15.609 -3.856 -0.720 1.00 0.00 O ATOM 0 H GLU A 66 -12.615 -1.148 1.248 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.486 -3.766 1.190 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.634 -1.789 -0.710 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.458 -2.886 -1.406 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.884 -4.629 -1.357 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.362 -4.307 0.298 1.00 0.00 H new ATOM 1102 N PHE A 67 -9.565 -1.214 0.359 1.00 0.00 N ATOM 1103 CA PHE A 67 -8.181 -0.807 0.117 1.00 0.00 C ATOM 1104 C PHE A 67 -7.314 -1.045 1.352 1.00 0.00 C ATOM 1105 O PHE A 67 -6.253 -1.664 1.262 1.00 0.00 O ATOM 1106 CB PHE A 67 -8.126 0.671 -0.280 1.00 0.00 C ATOM 1107 CG PHE A 67 -6.754 1.148 -0.672 1.00 0.00 C ATOM 1108 CD1 PHE A 67 -6.326 1.058 -1.986 1.00 0.00 C ATOM 1109 CD2 PHE A 67 -5.895 1.691 0.272 1.00 0.00 C ATOM 1110 CE1 PHE A 67 -5.070 1.502 -2.353 1.00 0.00 C ATOM 1111 CE2 PHE A 67 -4.637 2.134 -0.090 1.00 0.00 C ATOM 1112 CZ PHE A 67 -4.224 2.040 -1.404 1.00 0.00 C ATOM 0 H PHE A 67 -10.226 -0.439 0.420 1.00 0.00 H new ATOM 0 HA PHE A 67 -7.789 -1.414 -0.699 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -8.810 0.839 -1.112 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -8.485 1.274 0.554 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -6.982 0.636 -2.733 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -6.213 1.768 1.301 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.750 1.428 -3.382 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.977 2.554 0.655 1.00 0.00 H new ATOM 0 HZ PHE A 67 -3.242 2.386 -1.689 1.00 0.00 H new ATOM 1122 N ALA A 68 -7.773 -0.548 2.504 1.00 0.00 N ATOM 1123 CA ALA A 68 -7.039 -0.705 3.761 1.00 0.00 C ATOM 1124 C ALA A 68 -6.755 -2.175 4.054 1.00 0.00 C ATOM 1125 O ALA A 68 -5.680 -2.520 4.548 1.00 0.00 O ATOM 1126 CB ALA A 68 -7.811 -0.076 4.914 1.00 0.00 C ATOM 0 H ALA A 68 -8.649 -0.034 2.591 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.084 -0.190 3.656 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.250 -0.203 5.840 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.954 0.987 4.719 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.782 -0.561 5.009 1.00 0.00 H new ATOM 1132 N ALA A 69 -7.722 -3.039 3.738 1.00 0.00 N ATOM 1133 CA ALA A 69 -7.570 -4.474 3.961 1.00 0.00 C ATOM 1134 C ALA A 69 -6.426 -5.038 3.119 1.00 0.00 C ATOM 1135 O ALA A 69 -5.649 -5.868 3.592 1.00 0.00 O ATOM 1136 CB ALA A 69 -8.870 -5.205 3.650 1.00 0.00 C ATOM 0 H ALA A 69 -8.616 -2.768 3.328 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.328 -4.629 5.012 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.737 -6.273 3.822 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.663 -4.829 4.297 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.142 -5.037 2.608 1.00 0.00 H new ATOM 1142 N ASP A 70 -6.325 -4.572 1.872 1.00 0.00 N ATOM 1143 CA ASP A 70 -5.272 -5.022 0.964 1.00 0.00 C ATOM 1144 C ASP A 70 -3.894 -4.580 1.459 1.00 0.00 C ATOM 1145 O ASP A 70 -2.913 -5.312 1.319 1.00 0.00 O ATOM 1146 CB ASP A 70 -5.515 -4.483 -0.453 1.00 0.00 C ATOM 1147 CG ASP A 70 -6.586 -5.256 -1.202 1.00 0.00 C ATOM 1148 OD1 ASP A 70 -6.622 -6.500 -1.080 1.00 0.00 O ATOM 1149 OD2 ASP A 70 -7.388 -4.618 -1.916 1.00 0.00 O ATOM 0 H ASP A 70 -6.961 -3.883 1.470 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.297 -6.111 0.939 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -5.806 -3.434 -0.393 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.583 -4.524 -1.017 1.00 0.00 H new ATOM 1154 N VAL A 71 -3.826 -3.379 2.036 1.00 0.00 N ATOM 1155 CA VAL A 71 -2.564 -2.848 2.546 1.00 0.00 C ATOM 1156 C VAL A 71 -2.074 -3.645 3.756 1.00 0.00 C ATOM 1157 O VAL A 71 -0.901 -4.016 3.825 1.00 0.00 O ATOM 1158 CB VAL A 71 -2.686 -1.360 2.938 1.00 0.00 C ATOM 1159 CG1 VAL A 71 -1.328 -0.804 3.338 1.00 0.00 C ATOM 1160 CG2 VAL A 71 -3.288 -0.545 1.800 1.00 0.00 C ATOM 0 H VAL A 71 -4.627 -2.759 2.161 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.840 -2.940 1.736 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.356 -1.286 3.795 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.431 0.246 3.612 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.942 -1.365 4.189 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.637 -0.895 2.500 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.363 0.500 2.101 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -2.651 -0.624 0.919 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -4.281 -0.927 1.564 1.00 0.00 H new ATOM 1170 N ARG A 72 -2.975 -3.913 4.703 1.00 0.00 N ATOM 1171 CA ARG A 72 -2.621 -4.676 5.900 1.00 0.00 C ATOM 1172 C ARG A 72 -2.138 -6.077 5.523 1.00 0.00 C ATOM 1173 O ARG A 72 -1.184 -6.592 6.109 1.00 0.00 O ATOM 1174 CB ARG A 72 -3.818 -4.770 6.854 1.00 0.00 C ATOM 1175 CG ARG A 72 -3.813 -3.712 7.948 1.00 0.00 C ATOM 1176 CD ARG A 72 -4.243 -4.289 9.290 1.00 0.00 C ATOM 1177 NE ARG A 72 -3.151 -4.286 10.266 1.00 0.00 N ATOM 1178 CZ ARG A 72 -3.313 -4.528 11.571 1.00 0.00 C ATOM 1179 NH1 ARG A 72 -4.517 -4.799 12.067 1.00 0.00 N ATOM 1180 NH2 ARG A 72 -2.263 -4.502 12.384 1.00 0.00 N ATOM 0 H ARG A 72 -3.950 -3.615 4.665 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.811 -4.153 6.408 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -4.739 -4.680 6.278 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -3.827 -5.757 7.316 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -2.814 -3.286 8.038 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -4.483 -2.898 7.670 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.080 -3.711 9.681 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -4.599 -5.309 9.148 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.209 -4.087 9.929 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.329 -4.824 11.450 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -4.628 -4.982 13.064 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -1.335 -4.298 12.013 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -2.384 -4.686 13.380 1.00 0.00 H new ATOM 1194 N LEU A 73 -2.800 -6.681 4.534 1.00 0.00 N ATOM 1195 CA LEU A 73 -2.439 -8.017 4.064 1.00 0.00 C ATOM 1196 C LEU A 73 -1.041 -8.019 3.446 1.00 0.00 C ATOM 1197 O LEU A 73 -0.245 -8.920 3.705 1.00 0.00 O ATOM 1198 CB LEU A 73 -3.465 -8.515 3.041 1.00 0.00 C ATOM 1199 CG LEU A 73 -3.211 -9.922 2.492 1.00 0.00 C ATOM 1200 CD1 LEU A 73 -4.511 -10.709 2.418 1.00 0.00 C ATOM 1201 CD2 LEU A 73 -2.548 -9.851 1.124 1.00 0.00 C ATOM 0 H LEU A 73 -3.591 -6.264 4.043 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.437 -8.689 4.922 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.452 -8.495 3.502 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.490 -7.816 2.205 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.535 -10.440 3.173 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.311 -11.706 2.026 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.944 -10.791 3.415 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.211 -10.194 1.760 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.376 -10.860 0.750 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.197 -9.314 0.432 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.596 -9.328 1.208 1.00 0.00 H new ATOM 1213 N MET A 74 -0.751 -7.004 2.629 1.00 0.00 N ATOM 1214 CA MET A 74 0.554 -6.889 1.976 1.00 0.00 C ATOM 1215 C MET A 74 1.678 -6.827 3.010 1.00 0.00 C ATOM 1216 O MET A 74 2.689 -7.521 2.883 1.00 0.00 O ATOM 1217 CB MET A 74 0.596 -5.643 1.083 1.00 0.00 C ATOM 1218 CG MET A 74 1.896 -5.488 0.307 1.00 0.00 C ATOM 1219 SD MET A 74 2.391 -3.764 0.114 1.00 0.00 S ATOM 1220 CE MET A 74 1.805 -3.424 -1.544 1.00 0.00 C ATOM 0 H MET A 74 -1.401 -6.251 2.404 1.00 0.00 H new ATOM 0 HA MET A 74 0.701 -7.775 1.358 1.00 0.00 H new ATOM 0 HB2 MET A 74 -0.234 -5.684 0.378 1.00 0.00 H new ATOM 0 HB3 MET A 74 0.445 -4.758 1.702 1.00 0.00 H new ATOM 0 HG2 MET A 74 2.688 -6.034 0.820 1.00 0.00 H new ATOM 0 HG3 MET A 74 1.783 -5.942 -0.678 1.00 0.00 H new ATOM 0 HE1 MET A 74 1.826 -2.349 -1.724 1.00 0.00 H new ATOM 0 HE2 MET A 74 2.448 -3.926 -2.267 1.00 0.00 H new ATOM 0 HE3 MET A 74 0.784 -3.790 -1.651 1.00 0.00 H new ATOM 1230 N PHE A 75 1.492 -5.991 4.034 1.00 0.00 N ATOM 1231 CA PHE A 75 2.489 -5.835 5.092 1.00 0.00 C ATOM 1232 C PHE A 75 2.679 -7.136 5.872 1.00 0.00 C ATOM 1233 O PHE A 75 3.810 -7.544 6.140 1.00 0.00 O ATOM 1234 CB PHE A 75 2.082 -4.710 6.050 1.00 0.00 C ATOM 1235 CG PHE A 75 2.402 -3.333 5.536 1.00 0.00 C ATOM 1236 CD1 PHE A 75 3.717 -2.943 5.328 1.00 0.00 C ATOM 1237 CD2 PHE A 75 1.389 -2.431 5.261 1.00 0.00 C ATOM 1238 CE1 PHE A 75 4.011 -1.677 4.856 1.00 0.00 C ATOM 1239 CE2 PHE A 75 1.678 -1.165 4.790 1.00 0.00 C ATOM 1240 CZ PHE A 75 2.990 -0.788 4.587 1.00 0.00 C ATOM 0 H PHE A 75 0.660 -5.413 4.152 1.00 0.00 H new ATOM 0 HA PHE A 75 3.436 -5.578 4.618 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.011 -4.777 6.241 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.586 -4.858 7.005 1.00 0.00 H new ATOM 0 HD1 PHE A 75 4.519 -3.635 5.537 1.00 0.00 H new ATOM 0 HD2 PHE A 75 0.360 -2.720 5.417 1.00 0.00 H new ATOM 0 HE1 PHE A 75 5.038 -1.384 4.698 1.00 0.00 H new ATOM 0 HE2 PHE A 75 0.878 -0.471 4.581 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.217 0.201 4.218 1.00 0.00 H new ATOM 1250 N SER A 76 1.570 -7.786 6.233 1.00 0.00 N ATOM 1251 CA SER A 76 1.629 -9.042 6.983 1.00 0.00 C ATOM 1252 C SER A 76 2.180 -10.176 6.118 1.00 0.00 C ATOM 1253 O SER A 76 2.906 -11.043 6.609 1.00 0.00 O ATOM 1254 CB SER A 76 0.245 -9.419 7.523 1.00 0.00 C ATOM 1255 OG SER A 76 -0.664 -9.694 6.470 1.00 0.00 O ATOM 0 H SER A 76 0.626 -7.465 6.019 1.00 0.00 H new ATOM 0 HA SER A 76 2.305 -8.892 7.825 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.331 -10.293 8.169 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.142 -8.605 8.136 1.00 0.00 H new ATOM 0 HG SER A 76 -0.357 -9.254 5.650 1.00 0.00 H new ATOM 1261 N ASN A 77 1.834 -10.164 4.829 1.00 0.00 N ATOM 1262 CA ASN A 77 2.295 -11.193 3.897 1.00 0.00 C ATOM 1263 C ASN A 77 3.818 -11.198 3.806 1.00 0.00 C ATOM 1264 O ASN A 77 4.445 -12.257 3.869 1.00 0.00 O ATOM 1265 CB ASN A 77 1.692 -10.967 2.507 1.00 0.00 C ATOM 1266 CG ASN A 77 0.316 -11.594 2.357 1.00 0.00 C ATOM 1267 OD1 ASN A 77 -0.114 -11.796 1.117 1.00 0.00 O flip ATOM 1268 ND2 ASN A 77 -0.354 -11.892 3.346 1.00 0.00 N flip ATOM 0 H ASN A 77 1.236 -9.453 4.408 1.00 0.00 H new ATOM 0 HA ASN A 77 1.964 -12.161 4.274 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.622 -9.896 2.315 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.361 -11.383 1.753 1.00 0.00 H new ATOM 0 HD21 ASN A 77 0.014 -11.720 4.282 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -1.277 -12.311 3.230 1.00 0.00 H new ATOM 1275 N CYS A 78 4.407 -10.010 3.664 1.00 0.00 N ATOM 1276 CA CYS A 78 5.860 -9.881 3.573 1.00 0.00 C ATOM 1277 C CYS A 78 6.532 -10.365 4.857 1.00 0.00 C ATOM 1278 O CYS A 78 7.593 -10.985 4.812 1.00 0.00 O ATOM 1279 CB CYS A 78 6.254 -8.429 3.292 1.00 0.00 C ATOM 1280 SG CYS A 78 7.484 -8.241 1.980 1.00 0.00 S ATOM 0 H CYS A 78 3.901 -9.126 3.610 1.00 0.00 H new ATOM 0 HA CYS A 78 6.201 -10.505 2.747 1.00 0.00 H new ATOM 0 HB2 CYS A 78 5.360 -7.867 3.021 1.00 0.00 H new ATOM 0 HB3 CYS A 78 6.644 -7.985 4.208 1.00 0.00 H new ATOM 0 HG CYS A 78 8.218 -7.195 2.220 1.00 0.00 H new ATOM 1286 N TYR A 79 5.901 -10.086 5.999 1.00 0.00 N ATOM 1287 CA TYR A 79 6.435 -10.503 7.294 1.00 0.00 C ATOM 1288 C TYR A 79 6.419 -12.026 7.429 1.00 0.00 C ATOM 1289 O TYR A 79 7.306 -12.610 8.053 1.00 0.00 O ATOM 1290 CB TYR A 79 5.628 -9.870 8.430 1.00 0.00 C ATOM 1291 CG TYR A 79 6.237 -8.596 8.973 1.00 0.00 C ATOM 1292 CD1 TYR A 79 6.468 -7.503 8.146 1.00 0.00 C ATOM 1293 CD2 TYR A 79 6.587 -8.488 10.313 1.00 0.00 C ATOM 1294 CE1 TYR A 79 7.024 -6.338 8.640 1.00 0.00 C ATOM 1295 CE2 TYR A 79 7.143 -7.327 10.815 1.00 0.00 C ATOM 1296 CZ TYR A 79 7.363 -6.257 9.974 1.00 0.00 C ATOM 1297 OH TYR A 79 7.919 -5.100 10.468 1.00 0.00 O ATOM 0 H TYR A 79 5.021 -9.574 6.052 1.00 0.00 H new ATOM 0 HA TYR A 79 7.469 -10.163 7.358 1.00 0.00 H new ATOM 0 HB2 TYR A 79 4.620 -9.657 8.073 1.00 0.00 H new ATOM 0 HB3 TYR A 79 5.533 -10.591 9.242 1.00 0.00 H new ATOM 0 HD1 TYR A 79 6.209 -7.565 7.099 1.00 0.00 H new ATOM 0 HD2 TYR A 79 6.422 -9.326 10.974 1.00 0.00 H new ATOM 0 HE1 TYR A 79 7.192 -5.496 7.985 1.00 0.00 H new ATOM 0 HE2 TYR A 79 7.404 -7.258 11.861 1.00 0.00 H new ATOM 0 HH TYR A 79 7.435 -4.823 11.274 1.00 0.00 H new ATOM 1307 N LYS A 80 5.407 -12.663 6.837 1.00 0.00 N ATOM 1308 CA LYS A 80 5.276 -14.118 6.887 1.00 0.00 C ATOM 1309 C LYS A 80 6.319 -14.800 5.998 1.00 0.00 C ATOM 1310 O LYS A 80 6.809 -15.880 6.327 1.00 0.00 O ATOM 1311 CB LYS A 80 3.867 -14.541 6.459 1.00 0.00 C ATOM 1312 CG LYS A 80 3.223 -15.558 7.390 1.00 0.00 C ATOM 1313 CD LYS A 80 1.976 -14.996 8.057 1.00 0.00 C ATOM 1314 CE LYS A 80 0.982 -16.094 8.407 1.00 0.00 C ATOM 1315 NZ LYS A 80 -0.424 -15.695 8.107 1.00 0.00 N ATOM 0 H LYS A 80 4.666 -12.192 6.317 1.00 0.00 H new ATOM 0 HA LYS A 80 5.447 -14.433 7.916 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.232 -13.657 6.407 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.913 -14.960 5.454 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.963 -16.454 6.827 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.941 -15.859 8.153 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.258 -14.458 8.962 1.00 0.00 H new ATOM 0 HD3 LYS A 80 1.502 -14.274 7.392 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.229 -16.997 7.849 1.00 0.00 H new ATOM 0 HE3 LYS A 80 1.071 -16.339 9.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -1.067 -16.472 8.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -0.670 -14.848 8.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -0.517 -15.486 7.092 1.00 0.00 H new ATOM 1329 N TYR A 81 6.650 -14.168 4.869 1.00 0.00 N ATOM 1330 CA TYR A 81 7.632 -14.724 3.938 1.00 0.00 C ATOM 1331 C TYR A 81 9.052 -14.283 4.300 1.00 0.00 C ATOM 1332 O TYR A 81 9.886 -15.109 4.674 1.00 0.00 O ATOM 1333 CB TYR A 81 7.297 -14.314 2.499 1.00 0.00 C ATOM 1334 CG TYR A 81 8.086 -15.073 1.453 1.00 0.00 C ATOM 1335 CD1 TYR A 81 7.683 -16.334 1.031 1.00 0.00 C ATOM 1336 CD2 TYR A 81 9.233 -14.528 0.890 1.00 0.00 C ATOM 1337 CE1 TYR A 81 8.400 -17.030 0.077 1.00 0.00 C ATOM 1338 CE2 TYR A 81 9.956 -15.218 -0.064 1.00 0.00 C ATOM 1339 CZ TYR A 81 9.536 -16.468 -0.468 1.00 0.00 C ATOM 1340 OH TYR A 81 10.253 -17.158 -1.419 1.00 0.00 O ATOM 0 H TYR A 81 6.253 -13.274 4.579 1.00 0.00 H new ATOM 0 HA TYR A 81 7.588 -15.810 4.014 1.00 0.00 H new ATOM 0 HB2 TYR A 81 6.233 -14.471 2.324 1.00 0.00 H new ATOM 0 HB3 TYR A 81 7.486 -13.247 2.381 1.00 0.00 H new ATOM 0 HD1 TYR A 81 6.795 -16.777 1.456 1.00 0.00 H new ATOM 0 HD2 TYR A 81 9.565 -13.549 1.203 1.00 0.00 H new ATOM 0 HE1 TYR A 81 8.073 -18.009 -0.241 1.00 0.00 H new ATOM 0 HE2 TYR A 81 10.846 -14.780 -0.491 1.00 0.00 H new ATOM 0 HH TYR A 81 11.024 -16.622 -1.700 1.00 0.00 H new ATOM 1350 N ASN A 82 9.322 -12.982 4.188 1.00 0.00 N ATOM 1351 CA ASN A 82 10.643 -12.438 4.507 1.00 0.00 C ATOM 1352 C ASN A 82 10.835 -12.321 6.021 1.00 0.00 C ATOM 1353 O ASN A 82 9.860 -12.219 6.769 1.00 0.00 O ATOM 1354 CB ASN A 82 10.833 -11.067 3.847 1.00 0.00 C ATOM 1355 CG ASN A 82 10.917 -11.149 2.333 1.00 0.00 C ATOM 1356 OD1 ASN A 82 11.428 -12.122 1.778 1.00 0.00 O ATOM 1357 ND2 ASN A 82 10.416 -10.121 1.653 1.00 0.00 N ATOM 0 H ASN A 82 8.644 -12.285 3.879 1.00 0.00 H new ATOM 0 HA ASN A 82 11.393 -13.126 4.116 1.00 0.00 H new ATOM 0 HB2 ASN A 82 10.004 -10.417 4.126 1.00 0.00 H new ATOM 0 HB3 ASN A 82 11.743 -10.606 4.232 1.00 0.00 H new ATOM 0 HD21 ASN A 82 10.447 -10.120 0.633 1.00 0.00 H new ATOM 0 HD22 ASN A 82 10.001 -9.334 2.151 1.00 0.00 H new ATOM 1364 N PRO A 83 12.101 -12.342 6.491 1.00 0.00 N ATOM 1365 CA PRO A 83 12.431 -12.244 7.925 1.00 0.00 C ATOM 1366 C PRO A 83 11.762 -11.055 8.616 1.00 0.00 C ATOM 1367 O PRO A 83 11.271 -10.138 7.958 1.00 0.00 O ATOM 1368 CB PRO A 83 13.950 -12.066 7.920 1.00 0.00 C ATOM 1369 CG PRO A 83 14.394 -12.743 6.674 1.00 0.00 C ATOM 1370 CD PRO A 83 13.317 -12.470 5.662 1.00 0.00 C ATOM 0 HA PRO A 83 12.081 -13.116 8.477 1.00 0.00 H new ATOM 0 HB2 PRO A 83 14.227 -11.012 7.921 1.00 0.00 H new ATOM 0 HB3 PRO A 83 14.406 -12.516 8.802 1.00 0.00 H new ATOM 0 HG2 PRO A 83 15.356 -12.355 6.338 1.00 0.00 H new ATOM 0 HG3 PRO A 83 14.520 -13.814 6.833 1.00 0.00 H new ATOM 0 HD2 PRO A 83 13.517 -11.560 5.097 1.00 0.00 H new ATOM 0 HD3 PRO A 83 13.228 -13.281 4.939 1.00 0.00 H new ATOM 1378 N PRO A 84 11.734 -11.059 9.962 1.00 0.00 N ATOM 1379 CA PRO A 84 11.117 -9.979 10.748 1.00 0.00 C ATOM 1380 C PRO A 84 11.743 -8.608 10.483 1.00 0.00 C ATOM 1381 O PRO A 84 11.040 -7.596 10.454 1.00 0.00 O ATOM 1382 CB PRO A 84 11.366 -10.398 12.201 1.00 0.00 C ATOM 1383 CG PRO A 84 11.624 -11.865 12.144 1.00 0.00 C ATOM 1384 CD PRO A 84 12.293 -12.115 10.824 1.00 0.00 C ATOM 0 HA PRO A 84 10.064 -9.861 10.492 1.00 0.00 H new ATOM 0 HB2 PRO A 84 12.217 -9.864 12.625 1.00 0.00 H new ATOM 0 HB3 PRO A 84 10.504 -10.174 12.829 1.00 0.00 H new ATOM 0 HG2 PRO A 84 12.260 -12.182 12.970 1.00 0.00 H new ATOM 0 HG3 PRO A 84 10.694 -12.428 12.223 1.00 0.00 H new ATOM 0 HD2 PRO A 84 13.378 -12.041 10.901 1.00 0.00 H new ATOM 0 HD3 PRO A 84 12.068 -13.110 10.440 1.00 0.00 H new ATOM 1392 N ASP A 85 13.065 -8.578 10.298 1.00 0.00 N ATOM 1393 CA ASP A 85 13.773 -7.325 10.047 1.00 0.00 C ATOM 1394 C ASP A 85 14.350 -7.296 8.631 1.00 0.00 C ATOM 1395 O ASP A 85 13.675 -6.864 7.697 1.00 0.00 O ATOM 1396 CB ASP A 85 14.878 -7.103 11.095 1.00 0.00 C ATOM 1397 CG ASP A 85 15.481 -8.398 11.612 1.00 0.00 C ATOM 1398 OD1 ASP A 85 14.944 -8.951 12.595 1.00 0.00 O ATOM 1399 OD2 ASP A 85 16.486 -8.858 11.031 1.00 0.00 O ATOM 0 H ASP A 85 13.663 -9.404 10.318 1.00 0.00 H new ATOM 0 HA ASP A 85 13.055 -6.509 10.133 1.00 0.00 H new ATOM 0 HB2 ASP A 85 15.667 -6.491 10.658 1.00 0.00 H new ATOM 0 HB3 ASP A 85 14.467 -6.541 11.934 1.00 0.00 H new ATOM 1404 N HIS A 86 15.594 -7.758 8.473 1.00 0.00 N ATOM 1405 CA HIS A 86 16.253 -7.779 7.165 1.00 0.00 C ATOM 1406 C HIS A 86 16.218 -6.399 6.499 1.00 0.00 C ATOM 1407 O HIS A 86 15.752 -5.423 7.091 1.00 0.00 O ATOM 1408 CB HIS A 86 15.586 -8.819 6.258 1.00 0.00 C ATOM 1409 CG HIS A 86 16.421 -10.040 6.035 1.00 0.00 C ATOM 1410 ND1 HIS A 86 17.107 -10.680 7.048 1.00 0.00 N ATOM 1411 CD2 HIS A 86 16.678 -10.743 4.907 1.00 0.00 C ATOM 1412 CE1 HIS A 86 17.749 -11.723 6.551 1.00 0.00 C ATOM 1413 NE2 HIS A 86 17.504 -11.783 5.255 1.00 0.00 N ATOM 0 H HIS A 86 16.165 -8.123 9.236 1.00 0.00 H new ATOM 0 HA HIS A 86 17.297 -8.051 7.318 1.00 0.00 H new ATOM 0 HB2 HIS A 86 14.634 -9.115 6.698 1.00 0.00 H new ATOM 0 HB3 HIS A 86 15.363 -8.360 5.295 1.00 0.00 H new ATOM 0 HD2 HIS A 86 16.303 -10.526 3.918 1.00 0.00 H new ATOM 0 HE1 HIS A 86 18.368 -12.409 7.110 1.00 0.00 H new ATOM 0 HE2 HIS A 86 17.870 -12.488 4.615 1.00 0.00 H new ATOM 1422 N ASP A 87 16.714 -6.323 5.264 1.00 0.00 N ATOM 1423 CA ASP A 87 16.731 -5.064 4.525 1.00 0.00 C ATOM 1424 C ASP A 87 15.425 -4.863 3.754 1.00 0.00 C ATOM 1425 O ASP A 87 14.945 -3.738 3.618 1.00 0.00 O ATOM 1426 CB ASP A 87 17.919 -5.026 3.555 1.00 0.00 C ATOM 1427 CG ASP A 87 18.591 -3.663 3.498 1.00 0.00 C ATOM 1428 OD1 ASP A 87 17.900 -2.644 3.715 1.00 0.00 O ATOM 1429 OD2 ASP A 87 19.810 -3.616 3.235 1.00 0.00 O ATOM 0 H ASP A 87 17.108 -7.116 4.757 1.00 0.00 H new ATOM 0 HA ASP A 87 16.835 -4.254 5.247 1.00 0.00 H new ATOM 0 HB2 ASP A 87 18.652 -5.775 3.856 1.00 0.00 H new ATOM 0 HB3 ASP A 87 17.576 -5.299 2.557 1.00 0.00 H new ATOM 1434 N VAL A 88 14.859 -5.960 3.249 1.00 0.00 N ATOM 1435 CA VAL A 88 13.613 -5.902 2.484 1.00 0.00 C ATOM 1436 C VAL A 88 12.424 -5.533 3.372 1.00 0.00 C ATOM 1437 O VAL A 88 11.742 -4.536 3.127 1.00 0.00 O ATOM 1438 CB VAL A 88 13.315 -7.245 1.777 1.00 0.00 C ATOM 1439 CG1 VAL A 88 12.129 -7.101 0.834 1.00 0.00 C ATOM 1440 CG2 VAL A 88 14.543 -7.747 1.028 1.00 0.00 C ATOM 0 H VAL A 88 15.243 -6.899 3.356 1.00 0.00 H new ATOM 0 HA VAL A 88 13.751 -5.126 1.731 1.00 0.00 H new ATOM 0 HB VAL A 88 13.060 -7.982 2.538 1.00 0.00 H new ATOM 0 HG11 VAL A 88 11.934 -8.056 0.346 1.00 0.00 H new ATOM 0 HG12 VAL A 88 11.249 -6.797 1.400 1.00 0.00 H new ATOM 0 HG13 VAL A 88 12.353 -6.347 0.080 1.00 0.00 H new ATOM 0 HG21 VAL A 88 14.309 -8.693 0.539 1.00 0.00 H new ATOM 0 HG22 VAL A 88 14.837 -7.013 0.278 1.00 0.00 H new ATOM 0 HG23 VAL A 88 15.363 -7.895 1.731 1.00 0.00 H new ATOM 1450 N VAL A 89 12.176 -6.346 4.396 1.00 0.00 N ATOM 1451 CA VAL A 89 11.061 -6.107 5.309 1.00 0.00 C ATOM 1452 C VAL A 89 11.236 -4.794 6.074 1.00 0.00 C ATOM 1453 O VAL A 89 10.256 -4.099 6.347 1.00 0.00 O ATOM 1454 CB VAL A 89 10.884 -7.267 6.309 1.00 0.00 C ATOM 1455 CG1 VAL A 89 9.577 -7.120 7.070 1.00 0.00 C ATOM 1456 CG2 VAL A 89 10.944 -8.609 5.592 1.00 0.00 C ATOM 0 H VAL A 89 12.730 -7.174 4.614 1.00 0.00 H new ATOM 0 HA VAL A 89 10.164 -6.039 4.693 1.00 0.00 H new ATOM 0 HB VAL A 89 11.703 -7.230 7.027 1.00 0.00 H new ATOM 0 HG11 VAL A 89 9.469 -7.948 7.771 1.00 0.00 H new ATOM 0 HG12 VAL A 89 9.579 -6.178 7.618 1.00 0.00 H new ATOM 0 HG13 VAL A 89 8.744 -7.129 6.367 1.00 0.00 H new ATOM 0 HG21 VAL A 89 10.817 -9.414 6.316 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.148 -8.660 4.849 1.00 0.00 H new ATOM 0 HG23 VAL A 89 11.910 -8.715 5.098 1.00 0.00 H new ATOM 1466 N ALA A 90 12.485 -4.449 6.407 1.00 0.00 N ATOM 1467 CA ALA A 90 12.766 -3.206 7.125 1.00 0.00 C ATOM 1468 C ALA A 90 12.209 -2.005 6.363 1.00 0.00 C ATOM 1469 O ALA A 90 11.716 -1.052 6.968 1.00 0.00 O ATOM 1470 CB ALA A 90 14.263 -3.039 7.349 1.00 0.00 C ATOM 0 H ALA A 90 13.310 -5.010 6.192 1.00 0.00 H new ATOM 0 HA ALA A 90 12.275 -3.259 8.096 1.00 0.00 H new ATOM 0 HB1 ALA A 90 14.449 -2.108 7.885 1.00 0.00 H new ATOM 0 HB2 ALA A 90 14.639 -3.877 7.936 1.00 0.00 H new ATOM 0 HB3 ALA A 90 14.774 -3.012 6.387 1.00 0.00 H new ATOM 1476 N MET A 91 12.286 -2.065 5.031 1.00 0.00 N ATOM 1477 CA MET A 91 11.781 -0.990 4.180 1.00 0.00 C ATOM 1478 C MET A 91 10.269 -0.831 4.350 1.00 0.00 C ATOM 1479 O MET A 91 9.763 0.289 4.442 1.00 0.00 O ATOM 1480 CB MET A 91 12.121 -1.263 2.710 1.00 0.00 C ATOM 1481 CG MET A 91 13.386 -0.562 2.235 1.00 0.00 C ATOM 1482 SD MET A 91 14.416 -1.610 1.189 1.00 0.00 S ATOM 1483 CE MET A 91 14.334 -0.723 -0.365 1.00 0.00 C ATOM 0 H MET A 91 12.694 -2.848 4.520 1.00 0.00 H new ATOM 0 HA MET A 91 12.264 -0.061 4.484 1.00 0.00 H new ATOM 0 HB2 MET A 91 12.236 -2.337 2.566 1.00 0.00 H new ATOM 0 HB3 MET A 91 11.284 -0.945 2.088 1.00 0.00 H new ATOM 0 HG2 MET A 91 13.112 0.337 1.683 1.00 0.00 H new ATOM 0 HG3 MET A 91 13.965 -0.240 3.101 1.00 0.00 H new ATOM 0 HE1 MET A 91 14.038 -1.408 -1.160 1.00 0.00 H new ATOM 0 HE2 MET A 91 13.602 0.080 -0.287 1.00 0.00 H new ATOM 0 HE3 MET A 91 15.312 -0.301 -0.595 1.00 0.00 H new ATOM 1493 N ALA A 92 9.554 -1.958 4.401 1.00 0.00 N ATOM 1494 CA ALA A 92 8.102 -1.939 4.572 1.00 0.00 C ATOM 1495 C ALA A 92 7.720 -1.428 5.960 1.00 0.00 C ATOM 1496 O ALA A 92 6.736 -0.704 6.112 1.00 0.00 O ATOM 1497 CB ALA A 92 7.515 -3.325 4.339 1.00 0.00 C ATOM 0 H ALA A 92 9.957 -2.892 4.326 1.00 0.00 H new ATOM 0 HA ALA A 92 7.687 -1.256 3.831 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.434 -3.289 4.471 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.746 -3.652 3.325 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.945 -4.027 5.054 1.00 0.00 H new ATOM 1503 N ARG A 93 8.507 -1.809 6.971 1.00 0.00 N ATOM 1504 CA ARG A 93 8.251 -1.387 8.348 1.00 0.00 C ATOM 1505 C ARG A 93 8.129 0.135 8.443 1.00 0.00 C ATOM 1506 O ARG A 93 7.281 0.651 9.171 1.00 0.00 O ATOM 1507 CB ARG A 93 9.365 -1.884 9.276 1.00 0.00 C ATOM 1508 CG ARG A 93 8.927 -2.047 10.724 1.00 0.00 C ATOM 1509 CD ARG A 93 9.911 -2.898 11.515 1.00 0.00 C ATOM 1510 NE ARG A 93 10.259 -2.288 12.797 1.00 0.00 N ATOM 1511 CZ ARG A 93 11.144 -1.299 12.937 1.00 0.00 C ATOM 1512 NH1 ARG A 93 11.770 -0.795 11.876 1.00 0.00 N ATOM 1513 NH2 ARG A 93 11.402 -0.808 14.144 1.00 0.00 N ATOM 0 H ARG A 93 9.325 -2.408 6.860 1.00 0.00 H new ATOM 0 HA ARG A 93 7.305 -1.827 8.663 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.733 -2.841 8.907 1.00 0.00 H new ATOM 0 HB3 ARG A 93 10.200 -1.184 9.235 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.837 -1.066 11.190 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.939 -2.507 10.756 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.479 -3.884 11.688 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.817 -3.046 10.927 1.00 0.00 H new ATOM 0 HE ARG A 93 9.797 -2.640 13.636 1.00 0.00 H new ATOM 0 HH11 ARG A 93 11.575 -1.165 10.946 1.00 0.00 H new ATOM 0 HH12 ARG A 93 12.445 -0.039 11.993 1.00 0.00 H new ATOM 0 HH21 ARG A 93 10.924 -1.187 14.962 1.00 0.00 H new ATOM 0 HH22 ARG A 93 12.078 -0.052 14.253 1.00 0.00 H new ATOM 1527 N LYS A 94 8.972 0.850 7.693 1.00 0.00 N ATOM 1528 CA LYS A 94 8.944 2.311 7.688 1.00 0.00 C ATOM 1529 C LYS A 94 7.650 2.831 7.056 1.00 0.00 C ATOM 1530 O LYS A 94 7.060 3.798 7.540 1.00 0.00 O ATOM 1531 CB LYS A 94 10.157 2.868 6.934 1.00 0.00 C ATOM 1532 CG LYS A 94 11.392 3.050 7.808 1.00 0.00 C ATOM 1533 CD LYS A 94 12.524 3.727 7.049 1.00 0.00 C ATOM 1534 CE LYS A 94 13.494 4.414 7.997 1.00 0.00 C ATOM 1535 NZ LYS A 94 14.610 5.079 7.268 1.00 0.00 N ATOM 0 H LYS A 94 9.680 0.440 7.084 1.00 0.00 H new ATOM 0 HA LYS A 94 8.984 2.652 8.723 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.401 2.197 6.111 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.890 3.829 6.493 1.00 0.00 H new ATOM 0 HG2 LYS A 94 11.134 3.646 8.684 1.00 0.00 H new ATOM 0 HG3 LYS A 94 11.727 2.078 8.171 1.00 0.00 H new ATOM 0 HD2 LYS A 94 13.058 2.987 6.453 1.00 0.00 H new ATOM 0 HD3 LYS A 94 12.112 4.459 6.354 1.00 0.00 H new ATOM 0 HE2 LYS A 94 12.958 5.154 8.591 1.00 0.00 H new ATOM 0 HE3 LYS A 94 13.902 3.681 8.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 15.248 5.535 7.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 15.138 4.370 6.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 14.224 5.797 6.622 1.00 0.00 H new ATOM 1549 N LEU A 95 7.210 2.177 5.977 1.00 0.00 N ATOM 1550 CA LEU A 95 5.981 2.569 5.284 1.00 0.00 C ATOM 1551 C LEU A 95 4.756 2.375 6.180 1.00 0.00 C ATOM 1552 O LEU A 95 3.778 3.115 6.073 1.00 0.00 O ATOM 1553 CB LEU A 95 5.813 1.766 3.991 1.00 0.00 C ATOM 1554 CG LEU A 95 6.226 2.501 2.713 1.00 0.00 C ATOM 1555 CD1 LEU A 95 6.572 1.507 1.614 1.00 0.00 C ATOM 1556 CD2 LEU A 95 5.119 3.441 2.257 1.00 0.00 C ATOM 0 H LEU A 95 7.687 1.375 5.565 1.00 0.00 H new ATOM 0 HA LEU A 95 6.063 3.627 5.037 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.399 0.851 4.071 1.00 0.00 H new ATOM 0 HB3 LEU A 95 4.768 1.468 3.899 1.00 0.00 H new ATOM 0 HG LEU A 95 7.114 3.096 2.929 1.00 0.00 H new ATOM 0 HD11 LEU A 95 6.863 2.047 0.713 1.00 0.00 H new ATOM 0 HD12 LEU A 95 7.398 0.876 1.941 1.00 0.00 H new ATOM 0 HD13 LEU A 95 5.703 0.885 1.399 1.00 0.00 H new ATOM 0 HD21 LEU A 95 5.430 3.955 1.347 1.00 0.00 H new ATOM 0 HD22 LEU A 95 4.214 2.868 2.058 1.00 0.00 H new ATOM 0 HD23 LEU A 95 4.920 4.175 3.038 1.00 0.00 H new ATOM 1568 N GLN A 96 4.816 1.379 7.066 1.00 0.00 N ATOM 1569 CA GLN A 96 3.712 1.099 7.982 1.00 0.00 C ATOM 1570 C GLN A 96 3.563 2.217 9.016 1.00 0.00 C ATOM 1571 O GLN A 96 2.450 2.531 9.443 1.00 0.00 O ATOM 1572 CB GLN A 96 3.930 -0.241 8.691 1.00 0.00 C ATOM 1573 CG GLN A 96 2.640 -0.974 9.026 1.00 0.00 C ATOM 1574 CD GLN A 96 2.211 -0.776 10.469 1.00 0.00 C ATOM 1575 OE1 GLN A 96 2.995 -0.982 11.395 1.00 0.00 O ATOM 1576 NE2 GLN A 96 0.959 -0.378 10.668 1.00 0.00 N ATOM 0 H GLN A 96 5.616 0.755 7.168 1.00 0.00 H new ATOM 0 HA GLN A 96 2.795 1.045 7.395 1.00 0.00 H new ATOM 0 HB2 GLN A 96 4.547 -0.880 8.059 1.00 0.00 H new ATOM 0 HB3 GLN A 96 4.489 -0.068 9.611 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.847 -0.626 8.364 1.00 0.00 H new ATOM 0 HG3 GLN A 96 2.771 -2.039 8.833 1.00 0.00 H new ATOM 0 HE21 GLN A 96 0.342 -0.219 9.872 1.00 0.00 H new ATOM 0 HE22 GLN A 96 0.615 -0.232 11.617 1.00 0.00 H new ATOM 1585 N ASP A 97 4.689 2.812 9.416 1.00 0.00 N ATOM 1586 CA ASP A 97 4.681 3.891 10.403 1.00 0.00 C ATOM 1587 C ASP A 97 4.066 5.166 9.826 1.00 0.00 C ATOM 1588 O ASP A 97 3.289 5.846 10.498 1.00 0.00 O ATOM 1589 CB ASP A 97 6.103 4.176 10.893 1.00 0.00 C ATOM 1590 CG ASP A 97 6.146 4.549 12.362 1.00 0.00 C ATOM 1591 OD1 ASP A 97 5.700 5.664 12.706 1.00 0.00 O ATOM 1592 OD2 ASP A 97 6.627 3.725 13.169 1.00 0.00 O ATOM 0 H ASP A 97 5.616 2.564 9.071 1.00 0.00 H new ATOM 0 HA ASP A 97 4.069 3.566 11.245 1.00 0.00 H new ATOM 0 HB2 ASP A 97 6.725 3.296 10.726 1.00 0.00 H new ATOM 0 HB3 ASP A 97 6.532 4.986 10.303 1.00 0.00 H new ATOM 1597 N VAL A 98 4.414 5.486 8.579 1.00 0.00 N ATOM 1598 CA VAL A 98 3.886 6.681 7.921 1.00 0.00 C ATOM 1599 C VAL A 98 2.400 6.528 7.596 1.00 0.00 C ATOM 1600 O VAL A 98 1.639 7.495 7.675 1.00 0.00 O ATOM 1601 CB VAL A 98 4.667 7.026 6.632 1.00 0.00 C ATOM 1602 CG1 VAL A 98 4.562 5.904 5.607 1.00 0.00 C ATOM 1603 CG2 VAL A 98 4.175 8.345 6.049 1.00 0.00 C ATOM 0 H VAL A 98 5.056 4.937 8.007 1.00 0.00 H new ATOM 0 HA VAL A 98 4.011 7.502 8.627 1.00 0.00 H new ATOM 0 HB VAL A 98 5.720 7.136 6.892 1.00 0.00 H new ATOM 0 HG11 VAL A 98 5.121 6.176 4.712 1.00 0.00 H new ATOM 0 HG12 VAL A 98 4.974 4.987 6.028 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.515 5.745 5.347 1.00 0.00 H new ATOM 0 HG21 VAL A 98 4.735 8.573 5.142 1.00 0.00 H new ATOM 0 HG22 VAL A 98 3.115 8.264 5.810 1.00 0.00 H new ATOM 0 HG23 VAL A 98 4.323 9.142 6.777 1.00 0.00 H new ATOM 1613 N PHE A 99 1.992 5.309 7.235 1.00 0.00 N ATOM 1614 CA PHE A 99 0.594 5.033 6.906 1.00 0.00 C ATOM 1615 C PHE A 99 -0.312 5.372 8.087 1.00 0.00 C ATOM 1616 O PHE A 99 -1.396 5.928 7.906 1.00 0.00 O ATOM 1617 CB PHE A 99 0.412 3.563 6.510 1.00 0.00 C ATOM 1618 CG PHE A 99 -0.515 3.367 5.340 1.00 0.00 C ATOM 1619 CD1 PHE A 99 -1.884 3.527 5.488 1.00 0.00 C ATOM 1620 CD2 PHE A 99 -0.014 3.027 4.093 1.00 0.00 C ATOM 1621 CE1 PHE A 99 -2.736 3.351 4.414 1.00 0.00 C ATOM 1622 CE2 PHE A 99 -0.862 2.850 3.016 1.00 0.00 C ATOM 1623 CZ PHE A 99 -2.224 3.012 3.176 1.00 0.00 C ATOM 0 H PHE A 99 2.609 4.500 7.164 1.00 0.00 H new ATOM 0 HA PHE A 99 0.315 5.660 6.059 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.386 3.137 6.267 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.026 3.009 7.366 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.289 3.792 6.453 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.050 2.899 3.962 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -3.801 3.478 4.542 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.459 2.585 2.049 1.00 0.00 H new ATOM 0 HZ PHE A 99 -2.888 2.874 2.335 1.00 0.00 H new ATOM 1633 N GLU A 100 0.143 5.042 9.297 1.00 0.00 N ATOM 1634 CA GLU A 100 -0.626 5.321 10.507 1.00 0.00 C ATOM 1635 C GLU A 100 -0.831 6.825 10.690 1.00 0.00 C ATOM 1636 O GLU A 100 -1.907 7.263 11.099 1.00 0.00 O ATOM 1637 CB GLU A 100 0.070 4.727 11.737 1.00 0.00 C ATOM 1638 CG GLU A 100 -0.794 3.736 12.504 1.00 0.00 C ATOM 1639 CD GLU A 100 -0.934 2.399 11.795 1.00 0.00 C ATOM 1640 OE1 GLU A 100 -1.320 2.390 10.607 1.00 0.00 O ATOM 1641 OE2 GLU A 100 -0.661 1.360 12.432 1.00 0.00 O ATOM 0 H GLU A 100 1.038 4.582 9.463 1.00 0.00 H new ATOM 0 HA GLU A 100 -1.604 4.853 10.399 1.00 0.00 H new ATOM 0 HB2 GLU A 100 0.987 4.229 11.421 1.00 0.00 H new ATOM 0 HB3 GLU A 100 0.362 5.537 12.406 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -0.362 3.574 13.492 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.784 4.166 12.656 1.00 0.00 H new ATOM 1648 N PHE A 101 0.201 7.612 10.376 1.00 0.00 N ATOM 1649 CA PHE A 101 0.119 9.068 10.501 1.00 0.00 C ATOM 1650 C PHE A 101 -0.922 9.637 9.538 1.00 0.00 C ATOM 1651 O PHE A 101 -1.657 10.563 9.886 1.00 0.00 O ATOM 1652 CB PHE A 101 1.483 9.710 10.228 1.00 0.00 C ATOM 1653 CG PHE A 101 1.908 10.695 11.281 1.00 0.00 C ATOM 1654 CD1 PHE A 101 1.519 12.024 11.204 1.00 0.00 C ATOM 1655 CD2 PHE A 101 2.697 10.293 12.347 1.00 0.00 C ATOM 1656 CE1 PHE A 101 1.911 12.932 12.170 1.00 0.00 C ATOM 1657 CE2 PHE A 101 3.091 11.195 13.315 1.00 0.00 C ATOM 1658 CZ PHE A 101 2.697 12.516 13.228 1.00 0.00 C ATOM 0 H PHE A 101 1.098 7.267 10.035 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.184 9.300 11.522 1.00 0.00 H new ATOM 0 HB2 PHE A 101 2.236 8.925 10.152 1.00 0.00 H new ATOM 0 HB3 PHE A 101 1.451 10.215 9.263 1.00 0.00 H new ATOM 0 HD1 PHE A 101 0.903 12.353 10.380 1.00 0.00 H new ATOM 0 HD2 PHE A 101 3.008 9.261 12.421 1.00 0.00 H new ATOM 0 HE1 PHE A 101 1.604 13.965 12.098 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.707 10.868 14.140 1.00 0.00 H new ATOM 0 HZ PHE A 101 3.003 13.223 13.985 1.00 0.00 H new ATOM 1668 N ARG A 102 -0.986 9.072 8.330 1.00 0.00 N ATOM 1669 CA ARG A 102 -1.947 9.521 7.323 1.00 0.00 C ATOM 1670 C ARG A 102 -3.361 9.070 7.687 1.00 0.00 C ATOM 1671 O ARG A 102 -4.332 9.778 7.416 1.00 0.00 O ATOM 1672 CB ARG A 102 -1.570 8.992 5.932 1.00 0.00 C ATOM 1673 CG ARG A 102 -0.718 9.952 5.112 1.00 0.00 C ATOM 1674 CD ARG A 102 -1.447 11.261 4.842 1.00 0.00 C ATOM 1675 NE ARG A 102 -1.055 11.860 3.565 1.00 0.00 N ATOM 1676 CZ ARG A 102 -1.584 12.985 3.073 1.00 0.00 C ATOM 1677 NH1 ARG A 102 -2.525 13.641 3.750 1.00 0.00 N ATOM 1678 NH2 ARG A 102 -1.168 13.457 1.904 1.00 0.00 N ATOM 0 H ARG A 102 -0.385 8.305 8.027 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.921 10.610 7.299 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -1.031 8.052 6.046 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -2.483 8.771 5.379 1.00 0.00 H new ATOM 0 HG2 ARG A 102 0.213 10.156 5.642 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -0.450 9.483 4.165 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -2.522 11.083 4.843 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -1.240 11.963 5.649 1.00 0.00 H new ATOM 0 HE ARG A 102 -0.334 11.390 3.017 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -2.847 13.286 4.650 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -2.924 14.499 3.368 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -0.445 12.961 1.382 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -1.571 14.315 1.528 1.00 0.00 H new ATOM 1692 N TYR A 103 -3.470 7.891 8.307 1.00 0.00 N ATOM 1693 CA TYR A 103 -4.769 7.353 8.713 1.00 0.00 C ATOM 1694 C TYR A 103 -5.483 8.301 9.680 1.00 0.00 C ATOM 1695 O TYR A 103 -6.713 8.335 9.725 1.00 0.00 O ATOM 1696 CB TYR A 103 -4.607 5.976 9.361 1.00 0.00 C ATOM 1697 CG TYR A 103 -5.590 4.947 8.843 1.00 0.00 C ATOM 1698 CD1 TYR A 103 -5.293 4.175 7.726 1.00 0.00 C ATOM 1699 CD2 TYR A 103 -6.816 4.749 9.469 1.00 0.00 C ATOM 1700 CE1 TYR A 103 -6.188 3.235 7.250 1.00 0.00 C ATOM 1701 CE2 TYR A 103 -7.715 3.811 8.998 1.00 0.00 C ATOM 1702 CZ TYR A 103 -7.398 3.058 7.888 1.00 0.00 C ATOM 1703 OH TYR A 103 -8.291 2.123 7.415 1.00 0.00 O ATOM 0 H TYR A 103 -2.676 7.294 8.538 1.00 0.00 H new ATOM 0 HA TYR A 103 -5.378 7.252 7.815 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -3.592 5.618 9.187 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -4.730 6.074 10.440 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -4.348 4.312 7.222 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -7.070 5.338 10.338 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -5.941 2.642 6.382 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -8.662 3.669 9.498 1.00 0.00 H new ATOM 0 HH TYR A 103 -9.093 2.123 7.978 1.00 0.00 H new ATOM 1713 N ALA A 104 -4.709 9.075 10.447 1.00 0.00 N ATOM 1714 CA ALA A 104 -5.277 10.028 11.400 1.00 0.00 C ATOM 1715 C ALA A 104 -6.134 11.081 10.691 1.00 0.00 C ATOM 1716 O ALA A 104 -7.089 11.604 11.268 1.00 0.00 O ATOM 1717 CB ALA A 104 -4.173 10.701 12.204 1.00 0.00 C ATOM 0 H ALA A 104 -3.689 9.059 10.425 1.00 0.00 H new ATOM 0 HA ALA A 104 -5.921 9.472 12.082 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -4.614 11.407 12.908 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -3.610 9.946 12.752 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -3.503 11.233 11.528 1.00 0.00 H new ATOM 1723 N LYS A 105 -5.789 11.382 9.435 1.00 0.00 N ATOM 1724 CA LYS A 105 -6.528 12.365 8.643 1.00 0.00 C ATOM 1725 C LYS A 105 -7.653 11.708 7.827 1.00 0.00 C ATOM 1726 O LYS A 105 -8.385 12.396 7.113 1.00 0.00 O ATOM 1727 CB LYS A 105 -5.575 13.113 7.704 1.00 0.00 C ATOM 1728 CG LYS A 105 -5.101 14.452 8.251 1.00 0.00 C ATOM 1729 CD LYS A 105 -5.820 15.614 7.580 1.00 0.00 C ATOM 1730 CE LYS A 105 -4.886 16.409 6.679 1.00 0.00 C ATOM 1731 NZ LYS A 105 -4.546 17.742 7.255 1.00 0.00 N ATOM 0 H LYS A 105 -5.001 10.957 8.946 1.00 0.00 H new ATOM 0 HA LYS A 105 -6.984 13.070 9.338 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -4.707 12.484 7.506 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.075 13.277 6.749 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.273 14.488 9.327 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -4.026 14.550 8.097 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -6.656 15.234 6.993 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.238 16.272 8.342 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -3.970 15.841 6.517 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -5.354 16.545 5.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -3.908 18.248 6.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -5.416 18.296 7.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -4.076 17.613 8.174 1.00 0.00 H new ATOM 1745 N MET A 106 -7.791 10.381 7.936 1.00 0.00 N ATOM 1746 CA MET A 106 -8.830 9.651 7.209 1.00 0.00 C ATOM 1747 C MET A 106 -10.228 10.176 7.551 1.00 0.00 C ATOM 1748 O MET A 106 -11.031 10.433 6.651 1.00 0.00 O ATOM 1749 CB MET A 106 -8.745 8.152 7.518 1.00 0.00 C ATOM 1750 CG MET A 106 -9.244 7.264 6.391 1.00 0.00 C ATOM 1751 SD MET A 106 -10.006 5.745 6.995 1.00 0.00 S ATOM 1752 CE MET A 106 -10.903 5.213 5.539 1.00 0.00 C ATOM 0 H MET A 106 -7.196 9.794 8.520 1.00 0.00 H new ATOM 0 HA MET A 106 -8.660 9.809 6.144 1.00 0.00 H new ATOM 0 HB2 MET A 106 -7.709 7.894 7.739 1.00 0.00 H new ATOM 0 HB3 MET A 106 -9.325 7.942 8.417 1.00 0.00 H new ATOM 0 HG2 MET A 106 -9.967 7.816 5.791 1.00 0.00 H new ATOM 0 HG3 MET A 106 -8.411 7.013 5.735 1.00 0.00 H new ATOM 0 HE1 MET A 106 -11.003 4.128 5.549 1.00 0.00 H new ATOM 0 HE2 MET A 106 -11.893 5.668 5.535 1.00 0.00 H new ATOM 0 HE3 MET A 106 -10.360 5.519 4.645 1.00 0.00 H new ATOM 1762 N PRO A 107 -10.543 10.347 8.857 1.00 0.00 N ATOM 1763 CA PRO A 107 -11.854 10.848 9.293 1.00 0.00 C ATOM 1764 C PRO A 107 -12.241 12.144 8.584 1.00 0.00 C ATOM 1765 O PRO A 107 -11.458 13.095 8.546 1.00 0.00 O ATOM 1766 CB PRO A 107 -11.661 11.097 10.791 1.00 0.00 C ATOM 1767 CG PRO A 107 -10.567 10.170 11.191 1.00 0.00 C ATOM 1768 CD PRO A 107 -9.652 10.072 10.003 1.00 0.00 C ATOM 0 HA PRO A 107 -12.655 10.145 9.065 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -11.392 12.135 10.988 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -12.576 10.893 11.347 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -10.034 10.548 12.063 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -10.964 9.191 11.460 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -8.839 10.796 10.062 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -9.195 9.085 9.929 1.00 0.00 H new ATOM 1776 N ASP A 108 -13.448 12.175 8.020 1.00 0.00 N ATOM 1777 CA ASP A 108 -13.931 13.357 7.310 1.00 0.00 C ATOM 1778 C ASP A 108 -14.223 14.499 8.285 1.00 0.00 C ATOM 1779 O ASP A 108 -15.362 14.686 8.719 1.00 0.00 O ATOM 1780 CB ASP A 108 -15.184 13.019 6.496 1.00 0.00 C ATOM 1781 CG ASP A 108 -14.855 12.550 5.090 1.00 0.00 C ATOM 1782 OD1 ASP A 108 -14.192 13.306 4.349 1.00 0.00 O ATOM 1783 OD2 ASP A 108 -15.263 11.426 4.730 1.00 0.00 O ATOM 0 H ASP A 108 -14.107 11.397 8.041 1.00 0.00 H new ATOM 0 HA ASP A 108 -13.148 13.684 6.626 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -15.750 12.243 7.011 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -15.826 13.898 6.441 1.00 0.00 H new TER 1788 ASP A 108