USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 918 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 93 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 94 THR OG1 : rot -160:sc= 0.416 USER MOD Set 1.3: A 97 THR OG1 : rot -77:sc= 0.682 USER MOD Set 1.4: A 101 ASN : amide:sc= 0.972 K(o=2.1,f=-4.4!) USER MOD Set 2.1: A 71 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 73 SER OG : rot 180:sc= 0.101 USER MOD Set 3.1: A 26 THR OG1 : rot -68:sc= 2.33 USER MOD Set 3.2: A 51 SER OG : rot 65:sc= 1.23 USER MOD Set 4.1: A 27 CYS SG : rot -128:sc= 0.659 USER MOD Set 4.2: A 28 SER OG : rot 180:sc= 0.0199 USER MOD Set 5.1: A 19 SER OG : rot 179:sc= 0.92 USER MOD Set 5.2: A 116 THR OG1 : rot 180:sc= 0.796 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -137:sc= 0.0798 (180deg=0) USER MOD Single : A 2 TYR OH : rot -1:sc= 1.22 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0.437 K(o=0.44,f=-3.8!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.234 USER MOD Single : A 13 GLN : amide:sc= 0.76 K(o=0.76,f=0) USER MOD Single : A 17 ASN : amide:sc= 0.721 K(o=0.72,f=-0.14) USER MOD Single : A 22 ASN : amide:sc= 0.269 X(o=0.27,f=-0.016) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0.73 K(o=0.73,f=-6!) USER MOD Single : A 30 THR OG1 : rot 180:sc=0.000997 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= 1.84 K(o=1.8,f=-5.6!) USER MOD Single : A 38 GLN : amide:sc= -0.0782 K(o=-0.078,f=-1.3!) USER MOD Single : A 39 MET CE :methyl -142:sc= -1.61 (180deg=-3.55!) USER MOD Single : A 40 THR OG1 : rot -116:sc= 0.525 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0676 USER MOD Single : A 44 LYS NZ :NH3+ 170:sc= 1.21 (180deg=1.16) USER MOD Single : A 47 SER OG : rot -169:sc= 1.24 USER MOD Single : A 53 THR OG1 : rot 87:sc= 0.679 USER MOD Single : A 59 ASN : amide:sc= -0.505 X(o=-0.51,f=-0.028) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HE2:sc= 0.478 K(o=0.48,f=-3.1!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -174:sc= -0.0627 (180deg=-0.064) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 156:sc= 1.8 (180deg=1.15) USER MOD Single : A 88 HIS : no HD1:sc= -1.06 K(o=-1.1,f=-6.7!) USER MOD Single : A 90 ASN : amide:sc= 0.204 K(o=0.2,f=-0.67) USER MOD Single : A 91 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.0055) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -68:sc= 1.19 USER MOD Single : A 104 CYS SG : rot 124:sc= -0.57 USER MOD Single : A 107 CYS SG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.0666 USER MOD Single : A 112 LYS NZ :NH3+ -167:sc=-0.00132 (180deg=-0.0997) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.079 -22.543 -0.605 1.00 0.00 N ATOM 2 CA MET A 1 -8.420 -21.241 -1.208 1.00 0.00 C ATOM 3 C MET A 1 -8.898 -20.307 -0.089 1.00 0.00 C ATOM 4 O MET A 1 -8.375 -20.394 1.022 1.00 0.00 O ATOM 5 CB MET A 1 -9.434 -21.461 -2.342 1.00 0.00 C ATOM 6 CG MET A 1 -9.593 -20.331 -3.361 1.00 0.00 C ATOM 7 SD MET A 1 -10.921 -20.723 -4.527 1.00 0.00 S ATOM 8 CE MET A 1 -10.118 -20.222 -6.070 1.00 0.00 C ATOM 0 H1 MET A 1 -7.190 -22.893 -1.015 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.966 -22.431 0.423 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.841 -23.225 -0.797 1.00 0.00 H new ATOM 0 HA MET A 1 -7.561 -20.757 -1.673 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.149 -22.365 -2.880 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.409 -21.651 -1.893 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.815 -19.396 -2.846 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.657 -20.184 -3.900 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.796 -20.394 -6.906 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.864 -19.163 -6.021 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.209 -20.807 -6.214 1.00 0.00 H new ATOM 18 N TYR A 2 -9.883 -19.438 -0.338 1.00 0.00 N ATOM 19 CA TYR A 2 -10.751 -18.833 0.660 1.00 0.00 C ATOM 20 C TYR A 2 -12.074 -18.545 -0.064 1.00 0.00 C ATOM 21 O TYR A 2 -12.053 -18.200 -1.249 1.00 0.00 O ATOM 22 CB TYR A 2 -10.120 -17.539 1.211 1.00 0.00 C ATOM 23 CG TYR A 2 -10.435 -17.143 2.649 1.00 0.00 C ATOM 24 CD1 TYR A 2 -11.405 -17.808 3.426 1.00 0.00 C ATOM 25 CD2 TYR A 2 -9.680 -16.111 3.244 1.00 0.00 C ATOM 26 CE1 TYR A 2 -11.598 -17.471 4.773 1.00 0.00 C ATOM 27 CE2 TYR A 2 -9.891 -15.748 4.588 1.00 0.00 C ATOM 28 CZ TYR A 2 -10.866 -16.418 5.360 1.00 0.00 C ATOM 29 OH TYR A 2 -11.122 -16.041 6.645 1.00 0.00 O ATOM 0 H TYR A 2 -10.101 -19.128 -1.285 1.00 0.00 H new ATOM 0 HA TYR A 2 -10.906 -19.488 1.518 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -9.038 -17.631 1.120 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -10.426 -16.717 0.564 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -12.006 -18.586 2.979 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -8.932 -15.593 2.662 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -12.313 -18.022 5.366 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -9.306 -14.955 5.030 1.00 0.00 H new ATOM 0 HH TYR A 2 -11.849 -16.588 7.008 1.00 0.00 H new ATOM 39 N THR A 3 -13.210 -18.693 0.613 1.00 0.00 N ATOM 40 CA THR A 3 -14.538 -18.359 0.085 1.00 0.00 C ATOM 41 C THR A 3 -15.453 -17.787 1.183 1.00 0.00 C ATOM 42 O THR A 3 -16.662 -17.617 0.998 1.00 0.00 O ATOM 43 CB THR A 3 -15.171 -19.588 -0.602 1.00 0.00 C ATOM 44 OG1 THR A 3 -14.565 -20.818 -0.236 1.00 0.00 O ATOM 45 CG2 THR A 3 -15.108 -19.479 -2.128 1.00 0.00 C ATOM 0 H THR A 3 -13.238 -19.056 1.566 1.00 0.00 H new ATOM 0 HA THR A 3 -14.419 -17.579 -0.667 1.00 0.00 H new ATOM 0 HB THR A 3 -16.205 -19.589 -0.256 1.00 0.00 H new ATOM 0 HG1 THR A 3 -15.012 -21.555 -0.703 1.00 0.00 H new ATOM 0 HG21 THR A 3 -15.563 -20.363 -2.575 1.00 0.00 H new ATOM 0 HG22 THR A 3 -15.648 -18.589 -2.452 1.00 0.00 H new ATOM 0 HG23 THR A 3 -14.068 -19.407 -2.445 1.00 0.00 H new ATOM 53 N GLU A 4 -14.890 -17.515 2.355 1.00 0.00 N ATOM 54 CA GLU A 4 -15.527 -16.709 3.386 1.00 0.00 C ATOM 55 C GLU A 4 -15.607 -15.252 2.901 1.00 0.00 C ATOM 56 O GLU A 4 -14.930 -14.887 1.935 1.00 0.00 O ATOM 57 CB GLU A 4 -14.737 -16.853 4.681 1.00 0.00 C ATOM 58 CG GLU A 4 -15.516 -16.463 5.936 1.00 0.00 C ATOM 59 CD GLU A 4 -14.823 -16.986 7.192 1.00 0.00 C ATOM 60 OE1 GLU A 4 -13.595 -16.783 7.347 1.00 0.00 O ATOM 61 OE2 GLU A 4 -15.503 -17.569 8.070 1.00 0.00 O ATOM 0 H GLU A 4 -13.965 -17.854 2.618 1.00 0.00 H new ATOM 0 HA GLU A 4 -16.545 -17.046 3.582 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.406 -17.887 4.779 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -13.840 -16.236 4.617 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -15.606 -15.378 5.991 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -16.528 -16.864 5.880 1.00 0.00 H new ATOM 68 N GLN A 5 -16.412 -14.419 3.561 1.00 0.00 N ATOM 69 CA GLN A 5 -16.548 -13.010 3.221 1.00 0.00 C ATOM 70 C GLN A 5 -15.224 -12.248 3.426 1.00 0.00 C ATOM 71 O GLN A 5 -14.420 -12.636 4.282 1.00 0.00 O ATOM 72 CB GLN A 5 -17.709 -12.385 4.011 1.00 0.00 C ATOM 73 CG GLN A 5 -17.554 -12.321 5.543 1.00 0.00 C ATOM 74 CD GLN A 5 -17.862 -13.620 6.296 1.00 0.00 C ATOM 75 OE1 GLN A 5 -18.272 -14.618 5.713 1.00 0.00 O ATOM 76 NE2 GLN A 5 -17.683 -13.642 7.606 1.00 0.00 N ATOM 0 H GLN A 5 -16.990 -14.708 4.350 1.00 0.00 H new ATOM 0 HA GLN A 5 -16.785 -12.929 2.160 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -17.863 -11.371 3.643 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -18.615 -12.947 3.785 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -16.532 -12.022 5.774 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -18.209 -11.538 5.924 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -17.342 -12.810 8.088 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -17.886 -14.491 8.134 1.00 0.00 H new ATOM 85 N PRO A 6 -14.992 -11.144 2.693 1.00 0.00 N ATOM 86 CA PRO A 6 -13.730 -10.425 2.735 1.00 0.00 C ATOM 87 C PRO A 6 -13.656 -9.527 3.963 1.00 0.00 C ATOM 88 O PRO A 6 -14.675 -9.014 4.439 1.00 0.00 O ATOM 89 CB PRO A 6 -13.674 -9.643 1.420 1.00 0.00 C ATOM 90 CG PRO A 6 -15.143 -9.329 1.137 1.00 0.00 C ATOM 91 CD PRO A 6 -15.901 -10.513 1.747 1.00 0.00 C ATOM 0 HA PRO A 6 -12.871 -11.089 2.825 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -13.080 -8.735 1.517 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -13.227 -10.233 0.620 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -15.444 -8.385 1.592 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -15.333 -9.242 0.067 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -16.809 -10.176 2.247 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -16.206 -11.218 0.974 1.00 0.00 H new ATOM 99 N ILE A 7 -12.428 -9.342 4.444 1.00 0.00 N ATOM 100 CA ILE A 7 -12.104 -8.647 5.678 1.00 0.00 C ATOM 101 C ILE A 7 -12.378 -7.163 5.487 1.00 0.00 C ATOM 102 O ILE A 7 -11.508 -6.477 4.973 1.00 0.00 O ATOM 103 CB ILE A 7 -10.630 -8.891 6.074 1.00 0.00 C ATOM 104 CG1 ILE A 7 -10.282 -10.388 6.171 1.00 0.00 C ATOM 105 CG2 ILE A 7 -10.321 -8.213 7.419 1.00 0.00 C ATOM 106 CD1 ILE A 7 -8.772 -10.613 6.152 1.00 0.00 C ATOM 0 H ILE A 7 -11.600 -9.689 3.960 1.00 0.00 H new ATOM 0 HA ILE A 7 -12.725 -9.030 6.488 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.018 -8.458 5.283 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -10.701 -10.802 7.088 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -10.741 -10.924 5.341 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -9.280 -8.393 7.686 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -10.494 -7.140 7.334 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.970 -8.625 8.192 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -8.562 -11.680 6.222 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -8.358 -10.222 5.223 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -8.317 -10.098 6.998 1.00 0.00 H new ATOM 118 N ASP A 8 -13.565 -6.689 5.869 1.00 0.00 N ATOM 119 CA ASP A 8 -14.055 -5.300 5.810 1.00 0.00 C ATOM 120 C ASP A 8 -13.564 -4.506 4.592 1.00 0.00 C ATOM 121 O ASP A 8 -13.267 -3.313 4.677 1.00 0.00 O ATOM 122 CB ASP A 8 -13.845 -4.580 7.162 1.00 0.00 C ATOM 123 CG ASP A 8 -15.176 -4.004 7.615 1.00 0.00 C ATOM 124 OD1 ASP A 8 -15.634 -2.984 7.059 1.00 0.00 O ATOM 125 OD2 ASP A 8 -15.739 -4.598 8.565 1.00 0.00 O ATOM 0 H ASP A 8 -14.270 -7.313 6.260 1.00 0.00 H new ATOM 0 HA ASP A 8 -15.131 -5.356 5.645 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -13.461 -5.277 7.907 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -13.105 -3.786 7.057 1.00 0.00 H new ATOM 130 N LEU A 9 -13.388 -5.202 3.463 1.00 0.00 N ATOM 131 CA LEU A 9 -12.551 -4.726 2.383 1.00 0.00 C ATOM 132 C LEU A 9 -13.422 -3.977 1.404 1.00 0.00 C ATOM 133 O LEU A 9 -14.477 -4.468 0.986 1.00 0.00 O ATOM 134 CB LEU A 9 -11.797 -5.885 1.718 1.00 0.00 C ATOM 135 CG LEU A 9 -10.443 -5.414 1.160 1.00 0.00 C ATOM 136 CD1 LEU A 9 -9.424 -5.054 2.253 1.00 0.00 C ATOM 137 CD2 LEU A 9 -9.832 -6.543 0.344 1.00 0.00 C ATOM 0 H LEU A 9 -13.825 -6.106 3.284 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.788 -4.050 2.769 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.638 -6.683 2.443 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -12.401 -6.302 0.912 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.646 -4.520 0.570 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.492 -4.730 1.789 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.822 -4.248 2.870 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.235 -5.928 2.876 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.871 -6.223 -0.058 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.686 -7.415 0.981 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.501 -6.802 -0.477 1.00 0.00 H new ATOM 149 N VAL A 10 -12.978 -2.781 1.051 1.00 0.00 N ATOM 150 CA VAL A 10 -13.795 -1.795 0.370 1.00 0.00 C ATOM 151 C VAL A 10 -12.913 -1.091 -0.664 1.00 0.00 C ATOM 152 O VAL A 10 -11.856 -0.560 -0.319 1.00 0.00 O ATOM 153 CB VAL A 10 -14.482 -0.853 1.377 1.00 0.00 C ATOM 154 CG1 VAL A 10 -15.705 -1.528 2.011 1.00 0.00 C ATOM 155 CG2 VAL A 10 -13.581 -0.378 2.516 1.00 0.00 C ATOM 0 H VAL A 10 -12.025 -2.465 1.233 1.00 0.00 H new ATOM 0 HA VAL A 10 -14.622 -2.262 -0.164 1.00 0.00 H new ATOM 0 HB VAL A 10 -14.762 0.017 0.784 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -16.173 -0.843 2.718 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -16.421 -1.790 1.232 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -15.392 -2.431 2.534 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -14.146 0.280 3.176 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -13.224 -1.239 3.081 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -12.730 0.165 2.105 1.00 0.00 H new ATOM 165 N PRO A 11 -13.256 -1.145 -1.958 1.00 0.00 N ATOM 166 CA PRO A 11 -12.480 -0.477 -2.977 1.00 0.00 C ATOM 167 C PRO A 11 -12.592 1.042 -2.835 1.00 0.00 C ATOM 168 O PRO A 11 -13.606 1.583 -2.386 1.00 0.00 O ATOM 169 CB PRO A 11 -13.027 -0.975 -4.308 1.00 0.00 C ATOM 170 CG PRO A 11 -14.382 -1.619 -4.018 1.00 0.00 C ATOM 171 CD PRO A 11 -14.473 -1.714 -2.497 1.00 0.00 C ATOM 0 HA PRO A 11 -11.416 -0.700 -2.894 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -13.134 -0.151 -5.014 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -12.346 -1.696 -4.760 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -15.196 -1.018 -4.423 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -14.454 -2.605 -4.478 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -15.346 -1.174 -2.130 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -14.585 -2.752 -2.182 1.00 0.00 H new ATOM 179 N THR A 12 -11.567 1.753 -3.291 1.00 0.00 N ATOM 180 CA THR A 12 -11.632 3.191 -3.467 1.00 0.00 C ATOM 181 C THR A 12 -10.877 3.554 -4.750 1.00 0.00 C ATOM 182 O THR A 12 -10.559 2.690 -5.576 1.00 0.00 O ATOM 183 CB THR A 12 -11.196 3.925 -2.180 1.00 0.00 C ATOM 184 OG1 THR A 12 -11.553 5.290 -2.289 1.00 0.00 O ATOM 185 CG2 THR A 12 -9.700 3.817 -1.876 1.00 0.00 C ATOM 0 H THR A 12 -10.669 1.344 -3.548 1.00 0.00 H new ATOM 0 HA THR A 12 -12.654 3.539 -3.613 1.00 0.00 H new ATOM 0 HB THR A 12 -11.711 3.438 -1.352 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.282 5.765 -1.476 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.475 4.359 -0.957 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.428 2.768 -1.755 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.129 4.247 -2.699 1.00 0.00 H new ATOM 193 N GLN A 13 -10.658 4.844 -4.950 1.00 0.00 N ATOM 194 CA GLN A 13 -9.893 5.464 -6.012 1.00 0.00 C ATOM 195 C GLN A 13 -9.081 6.602 -5.372 1.00 0.00 C ATOM 196 O GLN A 13 -9.336 6.958 -4.213 1.00 0.00 O ATOM 197 CB GLN A 13 -10.856 5.965 -7.111 1.00 0.00 C ATOM 198 CG GLN A 13 -11.074 4.977 -8.266 1.00 0.00 C ATOM 199 CD GLN A 13 -12.416 4.249 -8.268 1.00 0.00 C ATOM 200 OE1 GLN A 13 -13.325 4.588 -9.019 1.00 0.00 O ATOM 201 NE2 GLN A 13 -12.549 3.178 -7.507 1.00 0.00 N ATOM 0 H GLN A 13 -11.047 5.542 -4.316 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.208 4.765 -6.493 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -11.820 6.191 -6.656 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -10.469 6.899 -7.517 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.973 5.518 -9.207 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.278 4.233 -8.239 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.792 2.898 -6.883 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -13.409 2.631 -7.543 1.00 0.00 H new ATOM 210 N PRO A 14 -8.100 7.165 -6.093 1.00 0.00 N ATOM 211 CA PRO A 14 -7.257 8.217 -5.562 1.00 0.00 C ATOM 212 C PRO A 14 -8.060 9.516 -5.534 1.00 0.00 C ATOM 213 O PRO A 14 -8.985 9.713 -6.329 1.00 0.00 O ATOM 214 CB PRO A 14 -6.054 8.274 -6.511 1.00 0.00 C ATOM 215 CG PRO A 14 -6.627 7.830 -7.858 1.00 0.00 C ATOM 216 CD PRO A 14 -7.791 6.905 -7.490 1.00 0.00 C ATOM 0 HA PRO A 14 -6.916 8.046 -4.541 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.636 9.279 -6.566 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.253 7.613 -6.180 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.967 8.683 -8.446 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.879 7.309 -8.456 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.657 7.101 -8.122 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.518 5.860 -7.639 1.00 0.00 H new ATOM 224 N LEU A 15 -7.700 10.429 -4.642 1.00 0.00 N ATOM 225 CA LEU A 15 -8.246 11.779 -4.611 1.00 0.00 C ATOM 226 C LEU A 15 -7.927 12.502 -5.932 1.00 0.00 C ATOM 227 O LEU A 15 -6.957 12.165 -6.616 1.00 0.00 O ATOM 228 CB LEU A 15 -7.640 12.523 -3.412 1.00 0.00 C ATOM 229 CG LEU A 15 -8.440 12.357 -2.114 1.00 0.00 C ATOM 230 CD1 LEU A 15 -7.531 12.661 -0.924 1.00 0.00 C ATOM 231 CD2 LEU A 15 -9.637 13.308 -2.088 1.00 0.00 C ATOM 0 H LEU A 15 -7.012 10.251 -3.910 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.330 11.749 -4.501 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.623 12.165 -3.250 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.570 13.584 -3.652 1.00 0.00 H new ATOM 0 HG LEU A 15 -8.808 11.332 -2.058 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.093 12.545 0.002 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.687 11.971 -0.925 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.163 13.684 -0.999 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.189 13.172 -1.158 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.285 14.338 -2.154 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -10.291 13.093 -2.933 1.00 0.00 H new ATOM 243 N PRO A 16 -8.737 13.493 -6.328 1.00 0.00 N ATOM 244 CA PRO A 16 -8.376 14.433 -7.379 1.00 0.00 C ATOM 245 C PRO A 16 -7.362 15.432 -6.805 1.00 0.00 C ATOM 246 O PRO A 16 -7.363 15.667 -5.596 1.00 0.00 O ATOM 247 CB PRO A 16 -9.699 15.099 -7.757 1.00 0.00 C ATOM 248 CG PRO A 16 -10.546 15.039 -6.479 1.00 0.00 C ATOM 249 CD PRO A 16 -9.937 13.928 -5.637 1.00 0.00 C ATOM 0 HA PRO A 16 -7.910 13.979 -8.253 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -9.545 16.128 -8.082 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.186 14.574 -8.579 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.523 15.991 -5.948 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.590 14.828 -6.710 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -9.699 14.287 -4.636 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.638 13.102 -5.521 1.00 0.00 H new ATOM 257 N ASN A 17 -6.528 16.050 -7.644 1.00 0.00 N ATOM 258 CA ASN A 17 -5.364 16.920 -7.363 1.00 0.00 C ATOM 259 C ASN A 17 -4.387 16.431 -6.281 1.00 0.00 C ATOM 260 O ASN A 17 -3.490 17.174 -5.888 1.00 0.00 O ATOM 261 CB ASN A 17 -5.742 18.397 -7.136 1.00 0.00 C ATOM 262 CG ASN A 17 -5.910 18.840 -5.686 1.00 0.00 C ATOM 263 OD1 ASN A 17 -5.250 19.768 -5.230 1.00 0.00 O ATOM 264 ND2 ASN A 17 -6.809 18.245 -4.932 1.00 0.00 N ATOM 0 H ASN A 17 -6.659 15.947 -8.650 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.805 16.846 -8.296 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -4.976 19.020 -7.597 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -6.675 18.596 -7.664 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -6.955 18.556 -3.972 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.360 17.473 -5.308 1.00 0.00 H new ATOM 271 N ALA A 18 -4.549 15.204 -5.788 1.00 0.00 N ATOM 272 CA ALA A 18 -3.604 14.560 -4.895 1.00 0.00 C ATOM 273 C ALA A 18 -2.256 14.454 -5.607 1.00 0.00 C ATOM 274 O ALA A 18 -2.223 14.181 -6.812 1.00 0.00 O ATOM 275 CB ALA A 18 -4.142 13.185 -4.520 1.00 0.00 C ATOM 0 H ALA A 18 -5.359 14.624 -6.006 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.470 15.138 -3.981 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.440 12.690 -3.849 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.105 13.295 -4.022 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.266 12.585 -5.421 1.00 0.00 H new ATOM 281 N SER A 19 -1.161 14.632 -4.879 1.00 0.00 N ATOM 282 CA SER A 19 0.176 14.497 -5.395 1.00 0.00 C ATOM 283 C SER A 19 1.029 14.035 -4.230 1.00 0.00 C ATOM 284 O SER A 19 0.663 14.105 -3.056 1.00 0.00 O ATOM 285 CB SER A 19 0.654 15.834 -5.974 1.00 0.00 C ATOM 286 OG SER A 19 1.805 15.711 -6.792 1.00 0.00 O ATOM 0 H SER A 19 -1.189 14.880 -3.890 1.00 0.00 H new ATOM 0 HA SER A 19 0.235 13.777 -6.211 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.152 16.278 -6.558 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.870 16.520 -5.155 1.00 0.00 H new ATOM 0 HG SER A 19 2.047 16.590 -7.151 1.00 0.00 H new ATOM 292 N PHE A 20 2.152 13.469 -4.589 1.00 0.00 N ATOM 293 CA PHE A 20 3.122 12.959 -3.660 1.00 0.00 C ATOM 294 C PHE A 20 3.728 14.090 -2.814 1.00 0.00 C ATOM 295 O PHE A 20 3.490 15.274 -3.053 1.00 0.00 O ATOM 296 CB PHE A 20 4.160 12.177 -4.476 1.00 0.00 C ATOM 297 CG PHE A 20 5.105 11.297 -3.694 1.00 0.00 C ATOM 298 CD1 PHE A 20 4.696 10.597 -2.540 1.00 0.00 C ATOM 299 CD2 PHE A 20 6.430 11.193 -4.138 1.00 0.00 C ATOM 300 CE1 PHE A 20 5.634 9.860 -1.800 1.00 0.00 C ATOM 301 CE2 PHE A 20 7.353 10.438 -3.412 1.00 0.00 C ATOM 302 CZ PHE A 20 6.967 9.794 -2.226 1.00 0.00 C ATOM 0 H PHE A 20 2.423 13.348 -5.565 1.00 0.00 H new ATOM 0 HA PHE A 20 2.665 12.287 -2.934 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.629 11.554 -5.196 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.753 12.891 -5.048 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.663 10.628 -2.226 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.737 11.697 -5.042 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.328 9.344 -0.902 1.00 0.00 H new ATOM 0 HE2 PHE A 20 8.370 10.349 -3.765 1.00 0.00 H new ATOM 0 HZ PHE A 20 7.695 9.249 -1.644 1.00 0.00 H new ATOM 312 N ASP A 21 4.507 13.715 -1.803 1.00 0.00 N ATOM 313 CA ASP A 21 5.196 14.632 -0.905 1.00 0.00 C ATOM 314 C ASP A 21 6.577 14.017 -0.649 1.00 0.00 C ATOM 315 O ASP A 21 6.910 12.953 -1.179 1.00 0.00 O ATOM 316 CB ASP A 21 4.374 14.805 0.396 1.00 0.00 C ATOM 317 CG ASP A 21 4.734 16.024 1.266 1.00 0.00 C ATOM 318 OD1 ASP A 21 5.776 16.016 1.964 1.00 0.00 O ATOM 319 OD2 ASP A 21 3.893 16.951 1.359 1.00 0.00 O ATOM 0 H ASP A 21 4.680 12.735 -1.581 1.00 0.00 H new ATOM 0 HA ASP A 21 5.308 15.630 -1.329 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.319 14.873 0.129 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.493 13.905 1.000 1.00 0.00 H new ATOM 324 N ASN A 22 7.376 14.604 0.232 1.00 0.00 N ATOM 325 CA ASN A 22 8.585 13.983 0.756 1.00 0.00 C ATOM 326 C ASN A 22 8.283 12.775 1.670 1.00 0.00 C ATOM 327 O ASN A 22 9.205 12.311 2.339 1.00 0.00 O ATOM 328 CB ASN A 22 9.448 15.052 1.467 1.00 0.00 C ATOM 329 CG ASN A 22 10.581 15.582 0.610 1.00 0.00 C ATOM 330 OD1 ASN A 22 10.718 16.788 0.432 1.00 0.00 O ATOM 331 ND2 ASN A 22 11.456 14.715 0.138 1.00 0.00 N ATOM 0 H ASN A 22 7.201 15.536 0.607 1.00 0.00 H new ATOM 0 HA ASN A 22 9.152 13.577 -0.082 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.809 15.883 1.766 1.00 0.00 H new ATOM 0 HB3 ASN A 22 9.863 14.625 2.380 1.00 0.00 H new ATOM 0 HD21 ASN A 22 12.267 15.043 -0.387 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.322 13.717 0.298 1.00 0.00 H new ATOM 338 N PHE A 23 7.042 12.275 1.800 1.00 0.00 N ATOM 339 CA PHE A 23 6.753 11.209 2.766 1.00 0.00 C ATOM 340 C PHE A 23 7.476 9.917 2.367 1.00 0.00 C ATOM 341 O PHE A 23 7.431 9.488 1.214 1.00 0.00 O ATOM 342 CB PHE A 23 5.240 11.002 3.022 1.00 0.00 C ATOM 343 CG PHE A 23 4.407 10.285 1.970 1.00 0.00 C ATOM 344 CD1 PHE A 23 4.522 8.889 1.800 1.00 0.00 C ATOM 345 CD2 PHE A 23 3.419 10.985 1.254 1.00 0.00 C ATOM 346 CE1 PHE A 23 3.694 8.210 0.889 1.00 0.00 C ATOM 347 CE2 PHE A 23 2.585 10.306 0.350 1.00 0.00 C ATOM 348 CZ PHE A 23 2.733 8.922 0.154 1.00 0.00 C ATOM 0 H PHE A 23 6.237 12.588 1.257 1.00 0.00 H new ATOM 0 HA PHE A 23 7.148 11.529 3.730 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.136 10.450 3.956 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.795 11.984 3.181 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.252 8.338 2.374 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.301 12.049 1.400 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.797 7.143 0.755 1.00 0.00 H new ATOM 0 HE2 PHE A 23 1.828 10.849 -0.196 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.108 8.407 -0.561 1.00 0.00 H new ATOM 358 N LYS A 24 8.135 9.279 3.333 1.00 0.00 N ATOM 359 CA LYS A 24 8.721 7.955 3.184 1.00 0.00 C ATOM 360 C LYS A 24 7.716 6.916 3.654 1.00 0.00 C ATOM 361 O LYS A 24 6.906 7.180 4.546 1.00 0.00 O ATOM 362 CB LYS A 24 10.025 7.886 3.994 1.00 0.00 C ATOM 363 CG LYS A 24 10.677 6.504 3.928 1.00 0.00 C ATOM 364 CD LYS A 24 12.158 6.429 4.326 1.00 0.00 C ATOM 365 CE LYS A 24 12.666 5.173 3.610 1.00 0.00 C ATOM 366 NZ LYS A 24 14.070 4.804 3.915 1.00 0.00 N ATOM 0 H LYS A 24 8.278 9.680 4.260 1.00 0.00 H new ATOM 0 HA LYS A 24 8.960 7.753 2.140 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.724 8.633 3.618 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.818 8.138 5.034 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.115 5.830 4.574 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.577 6.127 2.910 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.703 7.318 4.009 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.278 6.350 5.406 1.00 0.00 H new ATOM 0 HE2 LYS A 24 12.020 4.336 3.874 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.570 5.322 2.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 14.326 3.945 3.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.702 5.582 3.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 14.168 4.626 4.935 1.00 0.00 H new ATOM 380 N LEU A 25 7.825 5.712 3.104 1.00 0.00 N ATOM 381 CA LEU A 25 7.133 4.520 3.572 1.00 0.00 C ATOM 382 C LEU A 25 8.129 3.655 4.330 1.00 0.00 C ATOM 383 O LEU A 25 9.296 3.575 3.946 1.00 0.00 O ATOM 384 CB LEU A 25 6.571 3.700 2.401 1.00 0.00 C ATOM 385 CG LEU A 25 5.554 4.438 1.512 1.00 0.00 C ATOM 386 CD1 LEU A 25 6.217 5.315 0.438 1.00 0.00 C ATOM 387 CD2 LEU A 25 4.692 3.399 0.795 1.00 0.00 C ATOM 0 H LEU A 25 8.418 5.534 2.293 1.00 0.00 H new ATOM 0 HA LEU A 25 6.303 4.828 4.208 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.402 3.370 1.778 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.097 2.804 2.801 1.00 0.00 H new ATOM 0 HG LEU A 25 4.971 5.088 2.164 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.447 5.808 -0.155 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.843 6.067 0.918 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.832 4.692 -0.212 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.965 3.905 0.160 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.327 2.760 0.181 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.168 2.790 1.532 1.00 0.00 H new ATOM 399 N THR A 26 7.672 2.944 5.355 1.00 0.00 N ATOM 400 CA THR A 26 8.467 1.982 6.105 1.00 0.00 C ATOM 401 C THR A 26 7.596 0.739 6.368 1.00 0.00 C ATOM 402 O THR A 26 6.380 0.771 6.134 1.00 0.00 O ATOM 403 CB THR A 26 9.010 2.645 7.392 1.00 0.00 C ATOM 404 OG1 THR A 26 7.967 2.904 8.301 1.00 0.00 O ATOM 405 CG2 THR A 26 9.720 3.991 7.172 1.00 0.00 C ATOM 0 H THR A 26 6.714 3.024 5.695 1.00 0.00 H new ATOM 0 HA THR A 26 9.342 1.657 5.543 1.00 0.00 H new ATOM 0 HB THR A 26 9.733 1.922 7.770 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.384 3.604 7.939 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.067 4.380 8.129 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.573 3.848 6.508 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.025 4.700 6.722 1.00 0.00 H new ATOM 413 N CYS A 27 8.190 -0.363 6.833 1.00 0.00 N ATOM 414 CA CYS A 27 7.518 -1.579 7.293 1.00 0.00 C ATOM 415 C CYS A 27 8.591 -2.464 7.959 1.00 0.00 C ATOM 416 O CYS A 27 9.747 -2.047 8.084 1.00 0.00 O ATOM 417 CB CYS A 27 6.822 -2.260 6.099 1.00 0.00 C ATOM 418 SG CYS A 27 5.745 -3.637 6.580 1.00 0.00 S ATOM 0 H CYS A 27 9.205 -0.434 6.902 1.00 0.00 H new ATOM 0 HA CYS A 27 6.736 -1.373 8.024 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.232 -1.518 5.561 1.00 0.00 H new ATOM 0 HB3 CYS A 27 7.580 -2.627 5.407 1.00 0.00 H new ATOM 0 HG CYS A 27 6.051 -4.691 5.884 1.00 0.00 H new ATOM 424 N SER A 28 8.237 -3.669 8.405 1.00 0.00 N ATOM 425 CA SER A 28 9.177 -4.679 8.874 1.00 0.00 C ATOM 426 C SER A 28 10.016 -5.220 7.708 1.00 0.00 C ATOM 427 O SER A 28 11.237 -5.346 7.826 1.00 0.00 O ATOM 428 CB SER A 28 8.390 -5.796 9.576 1.00 0.00 C ATOM 429 OG SER A 28 7.310 -6.238 8.771 1.00 0.00 O ATOM 0 H SER A 28 7.265 -3.974 8.450 1.00 0.00 H new ATOM 0 HA SER A 28 9.874 -4.238 9.587 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.054 -6.633 9.792 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.012 -5.434 10.532 1.00 0.00 H new ATOM 0 HG SER A 28 6.824 -6.950 9.237 1.00 0.00 H new ATOM 435 N ASN A 29 9.376 -5.538 6.576 1.00 0.00 N ATOM 436 CA ASN A 29 10.079 -5.986 5.378 1.00 0.00 C ATOM 437 C ASN A 29 10.650 -4.762 4.681 1.00 0.00 C ATOM 438 O ASN A 29 9.898 -3.909 4.200 1.00 0.00 O ATOM 439 CB ASN A 29 9.173 -6.756 4.418 1.00 0.00 C ATOM 440 CG ASN A 29 10.028 -7.376 3.310 1.00 0.00 C ATOM 441 OD1 ASN A 29 10.604 -6.688 2.474 1.00 0.00 O ATOM 442 ND2 ASN A 29 10.176 -8.683 3.322 1.00 0.00 N ATOM 0 H ASN A 29 8.363 -5.491 6.470 1.00 0.00 H new ATOM 0 HA ASN A 29 10.869 -6.674 5.679 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.632 -7.535 4.955 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.427 -6.088 3.988 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.775 -9.135 2.631 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.692 -9.245 4.022 1.00 0.00 H new ATOM 449 N THR A 30 11.972 -4.651 4.655 1.00 0.00 N ATOM 450 CA THR A 30 12.623 -3.468 4.129 1.00 0.00 C ATOM 451 C THR A 30 12.561 -3.416 2.603 1.00 0.00 C ATOM 452 O THR A 30 12.445 -2.312 2.077 1.00 0.00 O ATOM 453 CB THR A 30 14.058 -3.389 4.658 1.00 0.00 C ATOM 454 OG1 THR A 30 14.749 -4.582 4.363 1.00 0.00 O ATOM 455 CG2 THR A 30 14.062 -3.191 6.177 1.00 0.00 C ATOM 0 H THR A 30 12.612 -5.370 4.994 1.00 0.00 H new ATOM 0 HA THR A 30 12.084 -2.587 4.479 1.00 0.00 H new ATOM 0 HB THR A 30 14.547 -2.542 4.177 1.00 0.00 H new ATOM 0 HG1 THR A 30 15.666 -4.522 4.703 1.00 0.00 H new ATOM 0 HG21 THR A 30 15.090 -3.137 6.534 1.00 0.00 H new ATOM 0 HG22 THR A 30 13.543 -2.265 6.425 1.00 0.00 H new ATOM 0 HG23 THR A 30 13.555 -4.030 6.655 1.00 0.00 H new ATOM 463 N LYS A 31 12.597 -4.549 1.875 1.00 0.00 N ATOM 464 CA LYS A 31 12.455 -4.478 0.420 1.00 0.00 C ATOM 465 C LYS A 31 11.044 -4.055 0.061 1.00 0.00 C ATOM 466 O LYS A 31 10.914 -3.258 -0.856 1.00 0.00 O ATOM 467 CB LYS A 31 12.838 -5.763 -0.340 1.00 0.00 C ATOM 468 CG LYS A 31 12.646 -5.628 -1.875 1.00 0.00 C ATOM 469 CD LYS A 31 13.483 -4.517 -2.549 1.00 0.00 C ATOM 470 CE LYS A 31 14.931 -4.920 -2.837 1.00 0.00 C ATOM 471 NZ LYS A 31 15.718 -3.786 -3.374 1.00 0.00 N ATOM 0 H LYS A 31 12.719 -5.487 2.257 1.00 0.00 H new ATOM 0 HA LYS A 31 13.179 -3.732 0.093 1.00 0.00 H new ATOM 0 HB2 LYS A 31 13.878 -6.010 -0.128 1.00 0.00 H new ATOM 0 HB3 LYS A 31 12.233 -6.592 0.027 1.00 0.00 H new ATOM 0 HG2 LYS A 31 12.895 -6.581 -2.341 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.592 -5.440 -2.078 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.003 -4.231 -3.485 1.00 0.00 H new ATOM 0 HD3 LYS A 31 13.482 -3.635 -1.908 1.00 0.00 H new ATOM 0 HE2 LYS A 31 15.396 -5.285 -1.921 1.00 0.00 H new ATOM 0 HE3 LYS A 31 14.945 -5.743 -3.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 16.694 -4.096 -3.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 15.288 -3.454 -4.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 15.726 -3.010 -2.682 1.00 0.00 H new ATOM 485 N PHE A 32 10.011 -4.531 0.762 1.00 0.00 N ATOM 486 CA PHE A 32 8.642 -4.108 0.492 1.00 0.00 C ATOM 487 C PHE A 32 8.551 -2.586 0.498 1.00 0.00 C ATOM 488 O PHE A 32 8.158 -1.988 -0.502 1.00 0.00 O ATOM 489 CB PHE A 32 7.709 -4.695 1.550 1.00 0.00 C ATOM 490 CG PHE A 32 6.234 -4.671 1.190 1.00 0.00 C ATOM 491 CD1 PHE A 32 5.805 -5.335 0.027 1.00 0.00 C ATOM 492 CD2 PHE A 32 5.282 -4.045 2.019 1.00 0.00 C ATOM 493 CE1 PHE A 32 4.442 -5.400 -0.302 1.00 0.00 C ATOM 494 CE2 PHE A 32 3.915 -4.105 1.687 1.00 0.00 C ATOM 495 CZ PHE A 32 3.495 -4.789 0.531 1.00 0.00 C ATOM 0 H PHE A 32 10.101 -5.209 1.519 1.00 0.00 H new ATOM 0 HA PHE A 32 8.342 -4.469 -0.492 1.00 0.00 H new ATOM 0 HB2 PHE A 32 8.004 -5.727 1.741 1.00 0.00 H new ATOM 0 HB3 PHE A 32 7.849 -4.146 2.481 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.533 -5.801 -0.621 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.600 -3.520 2.908 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.124 -5.919 -1.194 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.186 -3.624 2.322 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.444 -4.843 0.286 1.00 0.00 H new ATOM 505 N ALA A 33 8.991 -1.967 1.598 1.00 0.00 N ATOM 506 CA ALA A 33 9.035 -0.523 1.725 1.00 0.00 C ATOM 507 C ALA A 33 9.890 0.092 0.618 1.00 0.00 C ATOM 508 O ALA A 33 9.544 1.144 0.098 1.00 0.00 O ATOM 509 CB ALA A 33 9.591 -0.145 3.103 1.00 0.00 C ATOM 0 H ALA A 33 9.326 -2.463 2.424 1.00 0.00 H new ATOM 0 HA ALA A 33 8.023 -0.130 1.627 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.624 0.940 3.197 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.948 -0.557 3.880 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.597 -0.549 3.213 1.00 0.00 H new ATOM 515 N ASP A 34 11.020 -0.521 0.279 1.00 0.00 N ATOM 516 CA ASP A 34 12.003 0.069 -0.630 1.00 0.00 C ATOM 517 C ASP A 34 11.491 0.081 -2.067 1.00 0.00 C ATOM 518 O ASP A 34 11.532 1.128 -2.711 1.00 0.00 O ATOM 519 CB ASP A 34 13.355 -0.641 -0.545 1.00 0.00 C ATOM 520 CG ASP A 34 14.454 0.183 -1.211 1.00 0.00 C ATOM 521 OD1 ASP A 34 14.524 0.255 -2.459 1.00 0.00 O ATOM 522 OD2 ASP A 34 15.276 0.766 -0.471 1.00 0.00 O ATOM 0 H ASP A 34 11.283 -1.443 0.627 1.00 0.00 H new ATOM 0 HA ASP A 34 12.151 1.101 -0.312 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.611 -0.817 0.500 1.00 0.00 H new ATOM 0 HB3 ASP A 34 13.287 -1.617 -1.025 1.00 0.00 H new ATOM 527 N ASP A 35 10.970 -1.050 -2.552 1.00 0.00 N ATOM 528 CA ASP A 35 10.329 -1.194 -3.859 1.00 0.00 C ATOM 529 C ASP A 35 9.175 -0.197 -3.949 1.00 0.00 C ATOM 530 O ASP A 35 9.064 0.528 -4.936 1.00 0.00 O ATOM 531 CB ASP A 35 9.777 -2.621 -4.080 1.00 0.00 C ATOM 532 CG ASP A 35 10.700 -3.599 -4.812 1.00 0.00 C ATOM 533 OD1 ASP A 35 11.315 -3.182 -5.821 1.00 0.00 O ATOM 534 OD2 ASP A 35 10.765 -4.795 -4.431 1.00 0.00 O ATOM 0 H ASP A 35 10.985 -1.922 -2.024 1.00 0.00 H new ATOM 0 HA ASP A 35 11.078 -1.003 -4.627 1.00 0.00 H new ATOM 0 HB2 ASP A 35 9.530 -3.047 -3.108 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.845 -2.545 -4.641 1.00 0.00 H new ATOM 539 N LEU A 36 8.337 -0.120 -2.910 1.00 0.00 N ATOM 540 CA LEU A 36 7.209 0.801 -2.892 1.00 0.00 C ATOM 541 C LEU A 36 7.686 2.250 -2.959 1.00 0.00 C ATOM 542 O LEU A 36 7.181 3.007 -3.788 1.00 0.00 O ATOM 543 CB LEU A 36 6.327 0.574 -1.657 1.00 0.00 C ATOM 544 CG LEU A 36 5.488 -0.717 -1.707 1.00 0.00 C ATOM 545 CD1 LEU A 36 4.837 -0.951 -0.340 1.00 0.00 C ATOM 546 CD2 LEU A 36 4.407 -0.651 -2.792 1.00 0.00 C ATOM 0 H LEU A 36 8.424 -0.690 -2.069 1.00 0.00 H new ATOM 0 HA LEU A 36 6.604 0.602 -3.776 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.962 0.547 -0.771 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.656 1.425 -1.542 1.00 0.00 H new ATOM 0 HG LEU A 36 6.153 -1.545 -1.954 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.242 -1.864 -0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.612 -1.049 0.420 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.193 -0.107 -0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.837 -1.580 -2.795 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.737 0.185 -2.588 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.877 -0.510 -3.765 1.00 0.00 H new ATOM 558 N ASN A 37 8.674 2.636 -2.143 1.00 0.00 N ATOM 559 CA ASN A 37 9.273 3.965 -2.162 1.00 0.00 C ATOM 560 C ASN A 37 9.845 4.269 -3.554 1.00 0.00 C ATOM 561 O ASN A 37 9.803 5.416 -4.001 1.00 0.00 O ATOM 562 CB ASN A 37 10.386 4.068 -1.104 1.00 0.00 C ATOM 563 CG ASN A 37 9.922 4.449 0.303 1.00 0.00 C ATOM 564 OD1 ASN A 37 9.449 5.546 0.571 1.00 0.00 O ATOM 565 ND2 ASN A 37 10.086 3.557 1.258 1.00 0.00 N ATOM 0 H ASN A 37 9.083 2.019 -1.441 1.00 0.00 H new ATOM 0 HA ASN A 37 8.499 4.696 -1.929 1.00 0.00 H new ATOM 0 HB2 ASN A 37 10.903 3.110 -1.051 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.115 4.805 -1.439 1.00 0.00 H new ATOM 0 HD21 ASN A 37 9.819 3.781 2.217 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.480 2.642 1.039 1.00 0.00 H new ATOM 572 N GLN A 38 10.384 3.264 -4.252 1.00 0.00 N ATOM 573 CA GLN A 38 10.992 3.405 -5.557 1.00 0.00 C ATOM 574 C GLN A 38 9.889 3.706 -6.583 1.00 0.00 C ATOM 575 O GLN A 38 10.077 4.614 -7.395 1.00 0.00 O ATOM 576 CB GLN A 38 11.772 2.107 -5.864 1.00 0.00 C ATOM 577 CG GLN A 38 13.269 2.136 -5.502 1.00 0.00 C ATOM 578 CD GLN A 38 14.264 2.092 -6.669 1.00 0.00 C ATOM 579 OE1 GLN A 38 13.914 2.143 -7.845 1.00 0.00 O ATOM 580 NE2 GLN A 38 15.560 2.002 -6.382 1.00 0.00 N ATOM 0 H GLN A 38 10.404 2.305 -3.904 1.00 0.00 H new ATOM 0 HA GLN A 38 11.700 4.233 -5.597 1.00 0.00 H new ATOM 0 HB2 GLN A 38 11.301 1.284 -5.326 1.00 0.00 H new ATOM 0 HB3 GLN A 38 11.677 1.889 -6.928 1.00 0.00 H new ATOM 0 HG2 GLN A 38 13.462 3.041 -4.925 1.00 0.00 H new ATOM 0 HG3 GLN A 38 13.476 1.290 -4.847 1.00 0.00 H new ATOM 0 HE21 GLN A 38 15.865 1.959 -5.410 1.00 0.00 H new ATOM 0 HE22 GLN A 38 16.248 1.976 -7.134 1.00 0.00 H new ATOM 589 N MET A 39 8.729 3.035 -6.524 1.00 0.00 N ATOM 590 CA MET A 39 7.639 3.250 -7.462 1.00 0.00 C ATOM 591 C MET A 39 7.066 4.663 -7.362 1.00 0.00 C ATOM 592 O MET A 39 6.650 5.208 -8.382 1.00 0.00 O ATOM 593 CB MET A 39 6.530 2.234 -7.192 1.00 0.00 C ATOM 594 CG MET A 39 6.970 0.785 -7.432 1.00 0.00 C ATOM 595 SD MET A 39 6.008 -0.469 -6.531 1.00 0.00 S ATOM 596 CE MET A 39 4.321 0.029 -6.959 1.00 0.00 C ATOM 0 H MET A 39 8.529 2.327 -5.818 1.00 0.00 H new ATOM 0 HA MET A 39 8.037 3.123 -8.469 1.00 0.00 H new ATOM 0 HB2 MET A 39 6.193 2.339 -6.161 1.00 0.00 H new ATOM 0 HB3 MET A 39 5.676 2.459 -7.831 1.00 0.00 H new ATOM 0 HG2 MET A 39 6.905 0.573 -8.499 1.00 0.00 H new ATOM 0 HG3 MET A 39 8.019 0.688 -7.151 1.00 0.00 H new ATOM 0 HE1 MET A 39 3.672 -0.103 -6.093 1.00 0.00 H new ATOM 0 HE2 MET A 39 4.316 1.077 -7.259 1.00 0.00 H new ATOM 0 HE3 MET A 39 3.958 -0.586 -7.782 1.00 0.00 H new ATOM 606 N THR A 40 7.014 5.250 -6.164 1.00 0.00 N ATOM 607 CA THR A 40 6.470 6.593 -5.960 1.00 0.00 C ATOM 608 C THR A 40 7.540 7.683 -6.132 1.00 0.00 C ATOM 609 O THR A 40 7.184 8.860 -6.130 1.00 0.00 O ATOM 610 CB THR A 40 5.743 6.646 -4.603 1.00 0.00 C ATOM 611 OG1 THR A 40 5.022 7.849 -4.410 1.00 0.00 O ATOM 612 CG2 THR A 40 6.674 6.412 -3.414 1.00 0.00 C ATOM 0 H THR A 40 7.348 4.807 -5.308 1.00 0.00 H new ATOM 0 HA THR A 40 5.735 6.808 -6.736 1.00 0.00 H new ATOM 0 HB THR A 40 5.031 5.822 -4.645 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.403 8.341 -3.653 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.101 6.462 -2.488 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.137 5.429 -3.502 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.449 7.178 -3.403 1.00 0.00 H new ATOM 620 N GLY A 41 8.821 7.333 -6.296 1.00 0.00 N ATOM 621 CA GLY A 41 9.874 8.322 -6.476 1.00 0.00 C ATOM 622 C GLY A 41 10.258 9.047 -5.189 1.00 0.00 C ATOM 623 O GLY A 41 10.609 10.226 -5.243 1.00 0.00 O ATOM 0 H GLY A 41 9.148 6.367 -6.307 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.757 7.830 -6.883 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.549 9.056 -7.214 1.00 0.00 H new ATOM 627 N PHE A 42 10.166 8.364 -4.043 1.00 0.00 N ATOM 628 CA PHE A 42 10.516 8.906 -2.734 1.00 0.00 C ATOM 629 C PHE A 42 11.969 9.400 -2.710 1.00 0.00 C ATOM 630 O PHE A 42 12.853 8.800 -3.330 1.00 0.00 O ATOM 631 CB PHE A 42 10.257 7.835 -1.664 1.00 0.00 C ATOM 632 CG PHE A 42 10.990 8.108 -0.374 1.00 0.00 C ATOM 633 CD1 PHE A 42 10.672 9.225 0.425 1.00 0.00 C ATOM 634 CD2 PHE A 42 12.137 7.348 -0.089 1.00 0.00 C ATOM 635 CE1 PHE A 42 11.552 9.625 1.431 1.00 0.00 C ATOM 636 CE2 PHE A 42 12.961 7.696 0.982 1.00 0.00 C ATOM 637 CZ PHE A 42 12.682 8.852 1.723 1.00 0.00 C ATOM 0 H PHE A 42 9.839 7.399 -4.003 1.00 0.00 H new ATOM 0 HA PHE A 42 9.891 9.773 -2.520 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.187 7.779 -1.464 1.00 0.00 H new ATOM 0 HB3 PHE A 42 10.560 6.862 -2.050 1.00 0.00 H new ATOM 0 HD1 PHE A 42 9.753 9.768 0.259 1.00 0.00 H new ATOM 0 HD2 PHE A 42 12.382 6.492 -0.701 1.00 0.00 H new ATOM 0 HE1 PHE A 42 11.361 10.532 1.985 1.00 0.00 H new ATOM 0 HE2 PHE A 42 13.809 7.078 1.238 1.00 0.00 H new ATOM 0 HZ PHE A 42 13.343 9.148 2.524 1.00 0.00 H new ATOM 647 N THR A 43 12.240 10.467 -1.956 1.00 0.00 N ATOM 648 CA THR A 43 13.559 11.032 -1.745 1.00 0.00 C ATOM 649 C THR A 43 13.604 11.585 -0.316 1.00 0.00 C ATOM 650 O THR A 43 12.668 12.235 0.149 1.00 0.00 O ATOM 651 CB THR A 43 13.739 12.098 -2.847 1.00 0.00 C ATOM 652 OG1 THR A 43 13.530 11.547 -4.137 1.00 0.00 O ATOM 653 CG2 THR A 43 15.111 12.748 -2.886 1.00 0.00 C ATOM 0 H THR A 43 11.510 10.977 -1.458 1.00 0.00 H new ATOM 0 HA THR A 43 14.381 10.320 -1.823 1.00 0.00 H new ATOM 0 HB THR A 43 12.997 12.854 -2.590 1.00 0.00 H new ATOM 0 HG1 THR A 43 13.649 12.245 -4.814 1.00 0.00 H new ATOM 0 HG21 THR A 43 15.143 13.482 -3.691 1.00 0.00 H new ATOM 0 HG22 THR A 43 15.306 13.244 -1.935 1.00 0.00 H new ATOM 0 HG23 THR A 43 15.870 11.985 -3.060 1.00 0.00 H new ATOM 661 N LYS A 44 14.679 11.299 0.424 1.00 0.00 N ATOM 662 CA LYS A 44 14.999 11.983 1.673 1.00 0.00 C ATOM 663 C LYS A 44 15.460 13.407 1.370 1.00 0.00 C ATOM 664 O LYS A 44 15.878 13.695 0.252 1.00 0.00 O ATOM 665 CB LYS A 44 16.080 11.183 2.430 1.00 0.00 C ATOM 666 CG LYS A 44 15.491 10.213 3.470 1.00 0.00 C ATOM 667 CD LYS A 44 16.340 10.065 4.738 1.00 0.00 C ATOM 668 CE LYS A 44 15.737 9.054 5.732 1.00 0.00 C ATOM 669 NZ LYS A 44 14.571 9.566 6.492 1.00 0.00 N ATOM 0 H LYS A 44 15.355 10.580 0.168 1.00 0.00 H new ATOM 0 HA LYS A 44 14.116 12.045 2.309 1.00 0.00 H new ATOM 0 HB2 LYS A 44 16.677 10.620 1.713 1.00 0.00 H new ATOM 0 HB3 LYS A 44 16.755 11.878 2.930 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.496 10.558 3.750 1.00 0.00 H new ATOM 0 HG3 LYS A 44 15.371 9.232 3.009 1.00 0.00 H new ATOM 0 HD2 LYS A 44 17.345 9.746 4.464 1.00 0.00 H new ATOM 0 HD3 LYS A 44 16.435 11.036 5.224 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.435 8.161 5.185 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.511 8.750 6.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 14.122 8.783 7.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.888 10.290 7.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.884 9.985 5.833 1.00 0.00 H new ATOM 683 N PRO A 45 15.490 14.272 2.384 1.00 0.00 N ATOM 684 CA PRO A 45 15.051 13.990 3.739 1.00 0.00 C ATOM 685 C PRO A 45 13.525 13.964 3.852 1.00 0.00 C ATOM 686 O PRO A 45 12.846 14.933 3.511 1.00 0.00 O ATOM 687 CB PRO A 45 15.625 15.106 4.578 1.00 0.00 C ATOM 688 CG PRO A 45 15.752 16.272 3.602 1.00 0.00 C ATOM 689 CD PRO A 45 16.087 15.587 2.286 1.00 0.00 C ATOM 0 HA PRO A 45 15.389 13.006 4.065 1.00 0.00 H new ATOM 0 HB2 PRO A 45 14.971 15.354 5.414 1.00 0.00 H new ATOM 0 HB3 PRO A 45 16.592 14.832 5.000 1.00 0.00 H new ATOM 0 HG2 PRO A 45 14.826 16.844 3.534 1.00 0.00 H new ATOM 0 HG3 PRO A 45 16.535 16.968 3.905 1.00 0.00 H new ATOM 0 HD2 PRO A 45 15.683 16.141 1.439 1.00 0.00 H new ATOM 0 HD3 PRO A 45 17.165 15.521 2.139 1.00 0.00 H new ATOM 697 N ALA A 46 12.989 12.831 4.310 1.00 0.00 N ATOM 698 CA ALA A 46 11.565 12.589 4.232 1.00 0.00 C ATOM 699 C ALA A 46 10.836 13.520 5.205 1.00 0.00 C ATOM 700 O ALA A 46 11.296 13.673 6.340 1.00 0.00 O ATOM 701 CB ALA A 46 11.260 11.107 4.502 1.00 0.00 C ATOM 0 H ALA A 46 13.525 12.075 4.736 1.00 0.00 H new ATOM 0 HA ALA A 46 11.205 12.809 3.227 1.00 0.00 H new ATOM 0 HB1 ALA A 46 10.185 10.940 4.440 1.00 0.00 H new ATOM 0 HB2 ALA A 46 11.767 10.490 3.760 1.00 0.00 H new ATOM 0 HB3 ALA A 46 11.612 10.839 5.498 1.00 0.00 H new ATOM 707 N SER A 47 9.720 14.111 4.782 1.00 0.00 N ATOM 708 CA SER A 47 8.897 15.009 5.593 1.00 0.00 C ATOM 709 C SER A 47 8.185 14.255 6.718 1.00 0.00 C ATOM 710 O SER A 47 7.814 14.823 7.748 1.00 0.00 O ATOM 711 CB SER A 47 7.877 15.704 4.680 1.00 0.00 C ATOM 712 OG SER A 47 7.227 14.768 3.831 1.00 0.00 O ATOM 0 H SER A 47 9.353 13.975 3.840 1.00 0.00 H new ATOM 0 HA SER A 47 9.542 15.752 6.063 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.136 16.224 5.287 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.380 16.459 4.076 1.00 0.00 H new ATOM 0 HG SER A 47 6.714 15.248 3.147 1.00 0.00 H new ATOM 718 N ARG A 48 7.987 12.955 6.534 1.00 0.00 N ATOM 719 CA ARG A 48 7.457 12.018 7.507 1.00 0.00 C ATOM 720 C ARG A 48 7.851 10.620 7.062 1.00 0.00 C ATOM 721 O ARG A 48 8.300 10.425 5.928 1.00 0.00 O ATOM 722 CB ARG A 48 5.927 12.159 7.644 1.00 0.00 C ATOM 723 CG ARG A 48 5.217 12.271 6.285 1.00 0.00 C ATOM 724 CD ARG A 48 3.799 11.690 6.275 1.00 0.00 C ATOM 725 NE ARG A 48 2.954 12.255 7.346 1.00 0.00 N ATOM 726 CZ ARG A 48 2.609 13.547 7.427 1.00 0.00 C ATOM 727 NH1 ARG A 48 2.537 14.304 6.336 1.00 0.00 N ATOM 728 NH2 ARG A 48 2.365 14.094 8.607 1.00 0.00 N ATOM 0 H ARG A 48 8.207 12.503 5.646 1.00 0.00 H new ATOM 0 HA ARG A 48 7.871 12.225 8.494 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.534 11.298 8.185 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.700 13.042 8.242 1.00 0.00 H new ATOM 0 HG2 ARG A 48 5.171 13.321 5.996 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.814 11.759 5.531 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.335 11.886 5.308 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.852 10.607 6.390 1.00 0.00 H new ATOM 0 HE ARG A 48 2.612 11.622 8.069 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.746 13.902 5.422 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.273 15.286 6.413 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.440 13.532 9.455 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.102 15.078 8.669 1.00 0.00 H new ATOM 742 N GLU A 49 7.633 9.650 7.932 1.00 0.00 N ATOM 743 CA GLU A 49 7.925 8.244 7.747 1.00 0.00 C ATOM 744 C GLU A 49 6.671 7.513 8.205 1.00 0.00 C ATOM 745 O GLU A 49 6.426 7.352 9.401 1.00 0.00 O ATOM 746 CB GLU A 49 9.183 7.834 8.534 1.00 0.00 C ATOM 747 CG GLU A 49 10.474 8.324 7.845 1.00 0.00 C ATOM 748 CD GLU A 49 11.730 8.351 8.723 1.00 0.00 C ATOM 749 OE1 GLU A 49 11.635 8.531 9.961 1.00 0.00 O ATOM 750 OE2 GLU A 49 12.838 8.271 8.136 1.00 0.00 O ATOM 0 H GLU A 49 7.220 9.838 8.846 1.00 0.00 H new ATOM 0 HA GLU A 49 8.155 7.996 6.711 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.131 8.244 9.542 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.213 6.749 8.633 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.669 7.684 6.984 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.300 9.330 7.462 1.00 0.00 H new ATOM 757 N LEU A 50 5.819 7.163 7.245 1.00 0.00 N ATOM 758 CA LEU A 50 4.642 6.328 7.472 1.00 0.00 C ATOM 759 C LEU A 50 5.123 4.888 7.607 1.00 0.00 C ATOM 760 O LEU A 50 6.209 4.553 7.129 1.00 0.00 O ATOM 761 CB LEU A 50 3.681 6.395 6.275 1.00 0.00 C ATOM 762 CG LEU A 50 3.225 7.802 5.859 1.00 0.00 C ATOM 763 CD1 LEU A 50 2.574 7.777 4.474 1.00 0.00 C ATOM 764 CD2 LEU A 50 2.230 8.389 6.853 1.00 0.00 C ATOM 0 H LEU A 50 5.928 7.455 6.274 1.00 0.00 H new ATOM 0 HA LEU A 50 4.120 6.675 8.363 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.164 5.923 5.419 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.797 5.802 6.510 1.00 0.00 H new ATOM 0 HG LEU A 50 4.118 8.427 5.838 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.259 8.784 4.202 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.292 7.410 3.741 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.706 7.118 4.492 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.931 9.384 6.524 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.351 7.747 6.910 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.695 8.456 7.837 1.00 0.00 H new ATOM 776 N SER A 51 4.298 4.004 8.157 1.00 0.00 N ATOM 777 CA SER A 51 4.625 2.590 8.288 1.00 0.00 C ATOM 778 C SER A 51 3.433 1.721 7.914 1.00 0.00 C ATOM 779 O SER A 51 2.281 2.103 8.135 1.00 0.00 O ATOM 780 CB SER A 51 5.138 2.293 9.706 1.00 0.00 C ATOM 781 OG SER A 51 6.190 1.352 9.632 1.00 0.00 O ATOM 0 H SER A 51 3.379 4.250 8.526 1.00 0.00 H new ATOM 0 HA SER A 51 5.426 2.345 7.590 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.488 3.211 10.179 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.329 1.904 10.324 1.00 0.00 H new ATOM 0 HG SER A 51 6.952 1.750 9.162 1.00 0.00 H new ATOM 787 N VAL A 52 3.717 0.546 7.353 1.00 0.00 N ATOM 788 CA VAL A 52 2.727 -0.451 6.974 1.00 0.00 C ATOM 789 C VAL A 52 2.848 -1.590 7.988 1.00 0.00 C ATOM 790 O VAL A 52 3.950 -1.834 8.486 1.00 0.00 O ATOM 791 CB VAL A 52 3.050 -0.911 5.537 1.00 0.00 C ATOM 792 CG1 VAL A 52 2.044 -1.941 5.003 1.00 0.00 C ATOM 793 CG2 VAL A 52 3.123 0.255 4.535 1.00 0.00 C ATOM 0 H VAL A 52 4.673 0.257 7.145 1.00 0.00 H new ATOM 0 HA VAL A 52 1.704 -0.074 6.982 1.00 0.00 H new ATOM 0 HB VAL A 52 4.033 -1.374 5.618 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.321 -2.228 3.989 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.051 -2.822 5.644 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.045 -1.505 4.996 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.353 -0.132 3.542 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.164 0.773 4.509 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.903 0.951 4.843 1.00 0.00 H new ATOM 803 N THR A 53 1.763 -2.312 8.262 1.00 0.00 N ATOM 804 CA THR A 53 1.780 -3.508 9.092 1.00 0.00 C ATOM 805 C THR A 53 1.028 -4.620 8.359 1.00 0.00 C ATOM 806 O THR A 53 -0.012 -4.361 7.750 1.00 0.00 O ATOM 807 CB THR A 53 1.181 -3.191 10.470 1.00 0.00 C ATOM 808 OG1 THR A 53 -0.110 -2.611 10.384 1.00 0.00 O ATOM 809 CG2 THR A 53 2.076 -2.234 11.263 1.00 0.00 C ATOM 0 H THR A 53 0.836 -2.077 7.907 1.00 0.00 H new ATOM 0 HA THR A 53 2.800 -3.851 9.266 1.00 0.00 H new ATOM 0 HB THR A 53 1.107 -4.151 10.981 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.785 -3.320 10.346 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.622 -2.031 12.233 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.056 -2.689 11.409 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.188 -1.300 10.712 1.00 0.00 H new ATOM 817 N PHE A 54 1.565 -5.838 8.367 1.00 0.00 N ATOM 818 CA PHE A 54 0.949 -6.984 7.711 1.00 0.00 C ATOM 819 C PHE A 54 -0.103 -7.579 8.641 1.00 0.00 C ATOM 820 O PHE A 54 0.208 -7.842 9.807 1.00 0.00 O ATOM 821 CB PHE A 54 2.031 -8.018 7.380 1.00 0.00 C ATOM 822 CG PHE A 54 3.124 -7.486 6.471 1.00 0.00 C ATOM 823 CD1 PHE A 54 2.822 -7.117 5.151 1.00 0.00 C ATOM 824 CD2 PHE A 54 4.442 -7.356 6.938 1.00 0.00 C ATOM 825 CE1 PHE A 54 3.825 -6.628 4.296 1.00 0.00 C ATOM 826 CE2 PHE A 54 5.458 -6.920 6.069 1.00 0.00 C ATOM 827 CZ PHE A 54 5.148 -6.534 4.753 1.00 0.00 C ATOM 0 H PHE A 54 2.446 -6.057 8.833 1.00 0.00 H new ATOM 0 HA PHE A 54 0.466 -6.678 6.783 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.481 -8.370 8.308 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.564 -8.881 6.906 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.809 -7.210 4.788 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.676 -7.591 7.966 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.578 -6.325 3.289 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.481 -6.881 6.414 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.924 -6.167 4.098 1.00 0.00 H new ATOM 837 N PHE A 55 -1.327 -7.808 8.147 1.00 0.00 N ATOM 838 CA PHE A 55 -2.380 -8.382 8.974 1.00 0.00 C ATOM 839 C PHE A 55 -1.941 -9.732 9.573 1.00 0.00 C ATOM 840 O PHE A 55 -1.224 -10.464 8.893 1.00 0.00 O ATOM 841 CB PHE A 55 -3.678 -8.556 8.161 1.00 0.00 C ATOM 842 CG PHE A 55 -4.914 -7.909 8.756 1.00 0.00 C ATOM 843 CD1 PHE A 55 -4.903 -6.558 9.149 1.00 0.00 C ATOM 844 CD2 PHE A 55 -6.091 -8.667 8.914 1.00 0.00 C ATOM 845 CE1 PHE A 55 -6.064 -5.965 9.675 1.00 0.00 C ATOM 846 CE2 PHE A 55 -7.241 -8.081 9.471 1.00 0.00 C ATOM 847 CZ PHE A 55 -7.231 -6.728 9.847 1.00 0.00 C ATOM 0 H PHE A 55 -1.604 -7.604 7.187 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.572 -7.691 9.795 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.519 -8.146 7.164 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.870 -9.622 8.040 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.000 -5.975 9.046 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -6.110 -9.702 8.606 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -6.059 -4.920 9.948 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -8.134 -8.672 9.610 1.00 0.00 H new ATOM 0 HZ PHE A 55 -8.117 -6.276 10.267 1.00 0.00 H new ATOM 857 N PRO A 56 -2.485 -10.152 10.727 1.00 0.00 N ATOM 858 CA PRO A 56 -3.236 -9.309 11.637 1.00 0.00 C ATOM 859 C PRO A 56 -2.292 -8.465 12.520 1.00 0.00 C ATOM 860 O PRO A 56 -1.931 -8.848 13.635 1.00 0.00 O ATOM 861 CB PRO A 56 -4.069 -10.307 12.444 1.00 0.00 C ATOM 862 CG PRO A 56 -3.226 -11.584 12.495 1.00 0.00 C ATOM 863 CD PRO A 56 -2.382 -11.518 11.221 1.00 0.00 C ATOM 0 HA PRO A 56 -3.862 -8.574 11.132 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.274 -9.930 13.446 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -5.033 -10.490 11.969 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.601 -11.615 13.387 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.852 -12.476 12.514 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.344 -11.778 11.429 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.745 -12.228 10.478 1.00 0.00 H new ATOM 871 N ASP A 57 -1.999 -7.250 12.064 1.00 0.00 N ATOM 872 CA ASP A 57 -1.432 -6.117 12.774 1.00 0.00 C ATOM 873 C ASP A 57 -1.877 -4.901 11.971 1.00 0.00 C ATOM 874 O ASP A 57 -1.819 -4.891 10.737 1.00 0.00 O ATOM 875 CB ASP A 57 0.101 -6.126 12.837 1.00 0.00 C ATOM 876 CG ASP A 57 0.640 -4.858 13.521 1.00 0.00 C ATOM 877 OD1 ASP A 57 -0.122 -4.182 14.256 1.00 0.00 O ATOM 878 OD2 ASP A 57 1.820 -4.503 13.324 1.00 0.00 O ATOM 0 H ASP A 57 -2.173 -7.015 11.087 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.769 -6.130 13.811 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.439 -7.007 13.382 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.508 -6.199 11.828 1.00 0.00 H new ATOM 883 N LEU A 58 -2.368 -3.889 12.669 1.00 0.00 N ATOM 884 CA LEU A 58 -2.926 -2.672 12.123 1.00 0.00 C ATOM 885 C LEU A 58 -2.415 -1.457 12.913 1.00 0.00 C ATOM 886 O LEU A 58 -3.064 -0.411 12.915 1.00 0.00 O ATOM 887 CB LEU A 58 -4.462 -2.801 12.001 1.00 0.00 C ATOM 888 CG LEU A 58 -5.191 -3.413 13.220 1.00 0.00 C ATOM 889 CD1 LEU A 58 -6.584 -2.800 13.356 1.00 0.00 C ATOM 890 CD2 LEU A 58 -5.365 -4.944 13.119 1.00 0.00 C ATOM 0 H LEU A 58 -2.387 -3.900 13.689 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.581 -2.503 11.103 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.876 -1.810 11.815 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.687 -3.410 11.125 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.565 -3.193 14.085 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.091 -3.236 14.217 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.495 -1.722 13.495 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.161 -3.003 12.454 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.883 -5.311 14.005 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.949 -5.186 12.231 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.386 -5.418 13.050 1.00 0.00 H new ATOM 902 N ASN A 59 -1.254 -1.549 13.573 1.00 0.00 N ATOM 903 CA ASN A 59 -0.723 -0.456 14.408 1.00 0.00 C ATOM 904 C ASN A 59 -0.156 0.697 13.584 1.00 0.00 C ATOM 905 O ASN A 59 -0.100 1.820 14.077 1.00 0.00 O ATOM 906 CB ASN A 59 0.375 -0.955 15.373 1.00 0.00 C ATOM 907 CG ASN A 59 -0.222 -1.645 16.586 1.00 0.00 C ATOM 908 OD1 ASN A 59 0.023 -1.294 17.738 1.00 0.00 O ATOM 909 ND2 ASN A 59 -1.040 -2.639 16.329 1.00 0.00 N ATOM 0 H ASN A 59 -0.657 -2.376 13.546 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.577 -0.090 14.978 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.035 -1.646 14.849 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.987 -0.113 15.697 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.490 -3.140 17.095 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.226 -2.910 15.363 1.00 0.00 H new ATOM 916 N GLY A 60 0.254 0.415 12.349 1.00 0.00 N ATOM 917 CA GLY A 60 0.928 1.390 11.479 1.00 0.00 C ATOM 918 C GLY A 60 0.030 2.554 11.033 1.00 0.00 C ATOM 919 O GLY A 60 -1.156 2.615 11.373 1.00 0.00 O ATOM 0 H GLY A 60 0.129 -0.500 11.917 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.794 1.793 12.004 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.303 0.874 10.595 1.00 0.00 H new ATOM 923 N ASP A 61 0.547 3.471 10.210 1.00 0.00 N ATOM 924 CA ASP A 61 -0.293 4.434 9.481 1.00 0.00 C ATOM 925 C ASP A 61 -1.129 3.719 8.409 1.00 0.00 C ATOM 926 O ASP A 61 -2.247 4.121 8.095 1.00 0.00 O ATOM 927 CB ASP A 61 0.522 5.575 8.837 1.00 0.00 C ATOM 928 CG ASP A 61 -0.228 6.909 8.952 1.00 0.00 C ATOM 929 OD1 ASP A 61 -1.443 6.951 8.671 1.00 0.00 O ATOM 930 OD2 ASP A 61 0.395 7.921 9.354 1.00 0.00 O ATOM 0 H ASP A 61 1.546 3.569 10.030 1.00 0.00 H new ATOM 0 HA ASP A 61 -0.954 4.887 10.219 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.493 5.655 9.325 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.710 5.347 7.788 1.00 0.00 H new ATOM 935 N VAL A 62 -0.614 2.610 7.875 1.00 0.00 N ATOM 936 CA VAL A 62 -1.189 1.831 6.781 1.00 0.00 C ATOM 937 C VAL A 62 -1.337 0.378 7.255 1.00 0.00 C ATOM 938 O VAL A 62 -0.982 0.055 8.391 1.00 0.00 O ATOM 939 CB VAL A 62 -0.299 2.049 5.530 1.00 0.00 C ATOM 940 CG1 VAL A 62 -0.680 1.207 4.297 1.00 0.00 C ATOM 941 CG2 VAL A 62 -0.271 3.539 5.139 1.00 0.00 C ATOM 0 H VAL A 62 0.262 2.211 8.213 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.192 2.145 6.492 1.00 0.00 H new ATOM 0 HB VAL A 62 0.689 1.704 5.834 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.002 1.433 3.477 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.612 0.148 4.545 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.700 1.444 3.996 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.358 3.673 4.259 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.283 3.876 4.915 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.132 4.125 5.965 1.00 0.00 H new ATOM 951 N VAL A 63 -1.927 -0.491 6.436 1.00 0.00 N ATOM 952 CA VAL A 63 -1.988 -1.936 6.636 1.00 0.00 C ATOM 953 C VAL A 63 -1.674 -2.601 5.284 1.00 0.00 C ATOM 954 O VAL A 63 -1.737 -1.954 4.237 1.00 0.00 O ATOM 955 CB VAL A 63 -3.383 -2.322 7.181 1.00 0.00 C ATOM 956 CG1 VAL A 63 -3.532 -3.804 7.541 1.00 0.00 C ATOM 957 CG2 VAL A 63 -3.742 -1.521 8.447 1.00 0.00 C ATOM 0 H VAL A 63 -2.395 -0.194 5.580 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.260 -2.278 7.372 1.00 0.00 H new ATOM 0 HB VAL A 63 -4.054 -2.090 6.354 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -4.539 -3.988 7.915 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.357 -4.413 6.654 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.806 -4.066 8.310 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.729 -1.821 8.799 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.004 -1.719 9.224 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.748 -0.456 8.214 1.00 0.00 H new ATOM 967 N ALA A 64 -1.341 -3.888 5.294 1.00 0.00 N ATOM 968 CA ALA A 64 -1.181 -4.745 4.134 1.00 0.00 C ATOM 969 C ALA A 64 -2.034 -5.991 4.360 1.00 0.00 C ATOM 970 O ALA A 64 -2.067 -6.532 5.470 1.00 0.00 O ATOM 971 CB ALA A 64 0.299 -5.074 3.964 1.00 0.00 C ATOM 0 H ALA A 64 -1.166 -4.386 6.167 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.512 -4.260 3.215 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.431 -5.718 3.095 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.863 -4.152 3.822 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.662 -5.587 4.854 1.00 0.00 H new ATOM 977 N ILE A 65 -2.736 -6.401 3.307 1.00 0.00 N ATOM 978 CA ILE A 65 -3.685 -7.500 3.264 1.00 0.00 C ATOM 979 C ILE A 65 -3.138 -8.457 2.203 1.00 0.00 C ATOM 980 O ILE A 65 -2.565 -8.026 1.195 1.00 0.00 O ATOM 981 CB ILE A 65 -5.097 -6.955 2.932 1.00 0.00 C ATOM 982 CG1 ILE A 65 -5.644 -6.002 4.024 1.00 0.00 C ATOM 983 CG2 ILE A 65 -6.120 -8.066 2.645 1.00 0.00 C ATOM 984 CD1 ILE A 65 -5.941 -6.645 5.387 1.00 0.00 C ATOM 0 H ILE A 65 -2.648 -5.940 2.401 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.793 -8.023 4.214 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.963 -6.380 2.016 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.923 -5.198 4.172 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.560 -5.543 3.653 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -7.088 -7.619 2.420 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.786 -8.657 1.792 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.212 -8.710 3.519 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.318 -5.886 6.073 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.689 -7.428 5.265 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.026 -7.078 5.792 1.00 0.00 H new ATOM 996 N ASP A 66 -3.227 -9.760 2.449 1.00 0.00 N ATOM 997 CA ASP A 66 -2.698 -10.755 1.547 1.00 0.00 C ATOM 998 C ASP A 66 -3.337 -10.673 0.163 1.00 0.00 C ATOM 999 O ASP A 66 -4.520 -10.398 -0.021 1.00 0.00 O ATOM 1000 CB ASP A 66 -2.769 -12.159 2.164 1.00 0.00 C ATOM 1001 CG ASP A 66 -4.147 -12.791 2.390 1.00 0.00 C ATOM 1002 OD1 ASP A 66 -5.207 -12.197 2.107 1.00 0.00 O ATOM 1003 OD2 ASP A 66 -4.164 -13.914 2.941 1.00 0.00 O ATOM 0 H ASP A 66 -3.670 -10.148 3.282 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.641 -10.537 1.394 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.197 -12.831 1.524 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.259 -12.124 3.127 1.00 0.00 H new ATOM 1008 N TYR A 67 -2.517 -10.961 -0.845 1.00 0.00 N ATOM 1009 CA TYR A 67 -2.875 -10.987 -2.262 1.00 0.00 C ATOM 1010 C TYR A 67 -4.076 -11.901 -2.567 1.00 0.00 C ATOM 1011 O TYR A 67 -4.701 -11.779 -3.613 1.00 0.00 O ATOM 1012 CB TYR A 67 -1.605 -11.422 -3.025 1.00 0.00 C ATOM 1013 CG TYR A 67 -1.835 -12.138 -4.340 1.00 0.00 C ATOM 1014 CD1 TYR A 67 -2.040 -13.533 -4.347 1.00 0.00 C ATOM 1015 CD2 TYR A 67 -1.900 -11.410 -5.541 1.00 0.00 C ATOM 1016 CE1 TYR A 67 -2.260 -14.205 -5.562 1.00 0.00 C ATOM 1017 CE2 TYR A 67 -2.155 -12.072 -6.753 1.00 0.00 C ATOM 1018 CZ TYR A 67 -2.327 -13.472 -6.768 1.00 0.00 C ATOM 1019 OH TYR A 67 -2.543 -14.109 -7.950 1.00 0.00 O ATOM 0 H TYR A 67 -1.536 -11.194 -0.689 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.206 -9.999 -2.581 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.999 -10.537 -3.217 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.020 -12.074 -2.376 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.028 -14.085 -3.419 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.754 -10.340 -5.531 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.377 -15.279 -5.574 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.219 -11.510 -7.673 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.561 -13.452 -8.677 1.00 0.00 H new ATOM 1029 N ARG A 68 -4.431 -12.817 -1.668 1.00 0.00 N ATOM 1030 CA ARG A 68 -5.580 -13.706 -1.800 1.00 0.00 C ATOM 1031 C ARG A 68 -6.856 -12.893 -1.973 1.00 0.00 C ATOM 1032 O ARG A 68 -7.690 -13.192 -2.824 1.00 0.00 O ATOM 1033 CB ARG A 68 -5.668 -14.532 -0.518 1.00 0.00 C ATOM 1034 CG ARG A 68 -4.411 -15.347 -0.207 1.00 0.00 C ATOM 1035 CD ARG A 68 -4.404 -16.586 -1.096 1.00 0.00 C ATOM 1036 NE ARG A 68 -3.110 -17.293 -1.128 1.00 0.00 N ATOM 1037 CZ ARG A 68 -2.540 -17.825 -2.223 1.00 0.00 C ATOM 1038 NH1 ARG A 68 -3.086 -17.679 -3.427 1.00 0.00 N ATOM 1039 NH2 ARG A 68 -1.396 -18.488 -2.108 1.00 0.00 N ATOM 0 H ARG A 68 -3.911 -12.964 -0.803 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.465 -14.350 -2.672 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.869 -13.863 0.319 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.517 -15.211 -0.595 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.518 -14.748 -0.385 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.397 -15.635 0.844 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.174 -17.275 -0.748 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.672 -16.294 -2.111 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.606 -17.386 -0.246 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.955 -17.155 -3.533 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.636 -18.091 -4.244 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -0.956 -18.591 -1.194 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.957 -18.895 -2.934 1.00 0.00 H new ATOM 1053 N HIS A 69 -6.990 -11.857 -1.154 1.00 0.00 N ATOM 1054 CA HIS A 69 -8.106 -10.921 -1.207 1.00 0.00 C ATOM 1055 C HIS A 69 -8.126 -10.032 -2.470 1.00 0.00 C ATOM 1056 O HIS A 69 -9.083 -9.270 -2.639 1.00 0.00 O ATOM 1057 CB HIS A 69 -8.119 -10.091 0.082 1.00 0.00 C ATOM 1058 CG HIS A 69 -8.767 -10.816 1.229 1.00 0.00 C ATOM 1059 ND1 HIS A 69 -8.165 -11.741 2.054 1.00 0.00 N ATOM 1060 CD2 HIS A 69 -10.069 -10.672 1.628 1.00 0.00 C ATOM 1061 CE1 HIS A 69 -9.096 -12.148 2.936 1.00 0.00 C ATOM 1062 NE2 HIS A 69 -10.273 -11.531 2.711 1.00 0.00 N ATOM 0 H HIS A 69 -6.314 -11.640 -0.421 1.00 0.00 H new ATOM 0 HA HIS A 69 -9.023 -11.506 -1.280 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.096 -9.831 0.353 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -8.649 -9.156 -0.098 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -7.197 -12.057 2.005 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -10.804 -10.015 1.186 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -8.923 -12.872 3.719 1.00 0.00 H new ATOM 1070 N TYR A 70 -7.133 -10.102 -3.368 1.00 0.00 N ATOM 1071 CA TYR A 70 -7.072 -9.275 -4.571 1.00 0.00 C ATOM 1072 C TYR A 70 -8.105 -9.740 -5.601 1.00 0.00 C ATOM 1073 O TYR A 70 -7.812 -10.568 -6.469 1.00 0.00 O ATOM 1074 CB TYR A 70 -5.648 -9.274 -5.151 1.00 0.00 C ATOM 1075 CG TYR A 70 -5.392 -8.450 -6.404 1.00 0.00 C ATOM 1076 CD1 TYR A 70 -6.235 -7.393 -6.811 1.00 0.00 C ATOM 1077 CD2 TYR A 70 -4.284 -8.798 -7.197 1.00 0.00 C ATOM 1078 CE1 TYR A 70 -5.965 -6.697 -8.004 1.00 0.00 C ATOM 1079 CE2 TYR A 70 -4.005 -8.111 -8.387 1.00 0.00 C ATOM 1080 CZ TYR A 70 -4.845 -7.054 -8.788 1.00 0.00 C ATOM 1081 OH TYR A 70 -4.597 -6.397 -9.952 1.00 0.00 O ATOM 0 H TYR A 70 -6.344 -10.742 -3.274 1.00 0.00 H new ATOM 0 HA TYR A 70 -7.320 -8.248 -4.303 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -4.970 -8.921 -4.374 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -5.374 -10.307 -5.368 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -7.087 -7.119 -6.207 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -3.639 -9.606 -6.885 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -6.612 -5.892 -8.319 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -3.154 -8.390 -8.991 1.00 0.00 H new ATOM 0 HH TYR A 70 -3.789 -6.763 -10.369 1.00 0.00 H new ATOM 1091 N SER A 71 -9.309 -9.177 -5.519 1.00 0.00 N ATOM 1092 CA SER A 71 -10.322 -9.282 -6.554 1.00 0.00 C ATOM 1093 C SER A 71 -10.238 -8.115 -7.541 1.00 0.00 C ATOM 1094 O SER A 71 -9.594 -7.090 -7.299 1.00 0.00 O ATOM 1095 CB SER A 71 -11.714 -9.344 -5.921 1.00 0.00 C ATOM 1096 OG SER A 71 -12.616 -9.933 -6.834 1.00 0.00 O ATOM 0 H SER A 71 -9.608 -8.626 -4.714 1.00 0.00 H new ATOM 0 HA SER A 71 -10.140 -10.201 -7.111 1.00 0.00 H new ATOM 0 HB2 SER A 71 -11.681 -9.924 -4.999 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.050 -8.342 -5.655 1.00 0.00 H new ATOM 0 HG SER A 71 -13.508 -9.976 -6.431 1.00 0.00 H new ATOM 1102 N ALA A 72 -10.973 -8.256 -8.644 1.00 0.00 N ATOM 1103 CA ALA A 72 -11.106 -7.257 -9.697 1.00 0.00 C ATOM 1104 C ALA A 72 -11.917 -6.033 -9.254 1.00 0.00 C ATOM 1105 O ALA A 72 -11.811 -4.989 -9.898 1.00 0.00 O ATOM 1106 CB ALA A 72 -11.778 -7.928 -10.898 1.00 0.00 C ATOM 0 H ALA A 72 -11.511 -9.102 -8.833 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.113 -6.888 -9.954 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -11.891 -7.203 -11.704 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -11.163 -8.759 -11.242 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.760 -8.300 -10.605 1.00 0.00 H new ATOM 1112 N SER A 73 -12.679 -6.127 -8.160 1.00 0.00 N ATOM 1113 CA SER A 73 -13.408 -5.012 -7.553 1.00 0.00 C ATOM 1114 C SER A 73 -12.457 -3.884 -7.150 1.00 0.00 C ATOM 1115 O SER A 73 -12.850 -2.717 -7.117 1.00 0.00 O ATOM 1116 CB SER A 73 -14.162 -5.505 -6.301 1.00 0.00 C ATOM 1117 OG SER A 73 -14.285 -6.921 -6.299 1.00 0.00 O ATOM 0 H SER A 73 -12.809 -7.006 -7.659 1.00 0.00 H new ATOM 0 HA SER A 73 -14.113 -4.628 -8.291 1.00 0.00 H new ATOM 0 HB2 SER A 73 -13.633 -5.182 -5.404 1.00 0.00 H new ATOM 0 HB3 SER A 73 -15.153 -5.051 -6.268 1.00 0.00 H new ATOM 0 HG SER A 73 -14.765 -7.207 -5.494 1.00 0.00 H new ATOM 1123 N PHE A 74 -11.219 -4.254 -6.800 1.00 0.00 N ATOM 1124 CA PHE A 74 -10.232 -3.390 -6.170 1.00 0.00 C ATOM 1125 C PHE A 74 -9.198 -2.859 -7.171 1.00 0.00 C ATOM 1126 O PHE A 74 -8.106 -2.466 -6.758 1.00 0.00 O ATOM 1127 CB PHE A 74 -9.582 -4.155 -5.005 1.00 0.00 C ATOM 1128 CG PHE A 74 -10.567 -4.845 -4.059 1.00 0.00 C ATOM 1129 CD1 PHE A 74 -11.343 -4.115 -3.133 1.00 0.00 C ATOM 1130 CD2 PHE A 74 -10.719 -6.240 -4.116 1.00 0.00 C ATOM 1131 CE1 PHE A 74 -12.233 -4.774 -2.263 1.00 0.00 C ATOM 1132 CE2 PHE A 74 -11.632 -6.897 -3.273 1.00 0.00 C ATOM 1133 CZ PHE A 74 -12.385 -6.167 -2.341 1.00 0.00 C ATOM 0 H PHE A 74 -10.871 -5.200 -6.957 1.00 0.00 H new ATOM 0 HA PHE A 74 -10.730 -2.503 -5.779 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -8.907 -4.906 -5.414 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.973 -3.460 -4.428 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -11.253 -3.040 -3.091 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -10.128 -6.814 -4.815 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -12.798 -4.208 -1.537 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -11.754 -7.968 -3.343 1.00 0.00 H new ATOM 0 HZ PHE A 74 -13.078 -6.675 -1.687 1.00 0.00 H new ATOM 1143 N LYS A 75 -9.445 -2.904 -8.487 1.00 0.00 N ATOM 1144 CA LYS A 75 -8.462 -2.633 -9.538 1.00 0.00 C ATOM 1145 C LYS A 75 -7.888 -1.208 -9.515 1.00 0.00 C ATOM 1146 O LYS A 75 -6.892 -0.944 -10.191 1.00 0.00 O ATOM 1147 CB LYS A 75 -9.116 -2.976 -10.895 1.00 0.00 C ATOM 1148 CG LYS A 75 -9.123 -1.831 -11.907 1.00 0.00 C ATOM 1149 CD LYS A 75 -9.925 -2.080 -13.171 1.00 0.00 C ATOM 1150 CE LYS A 75 -9.648 -0.882 -14.080 1.00 0.00 C ATOM 1151 NZ LYS A 75 -10.472 -0.937 -15.308 1.00 0.00 N ATOM 0 H LYS A 75 -10.366 -3.138 -8.859 1.00 0.00 H new ATOM 0 HA LYS A 75 -7.590 -3.263 -9.362 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.591 -3.826 -11.332 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.144 -3.293 -10.718 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.516 -0.940 -11.418 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.093 -1.612 -12.189 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.623 -3.012 -13.649 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.989 -2.165 -12.949 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.856 0.042 -13.541 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.592 -0.863 -14.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.262 -0.111 -15.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.255 -1.808 -15.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.480 -0.931 -15.051 1.00 0.00 H new ATOM 1165 N LYS A 76 -8.520 -0.273 -8.823 1.00 0.00 N ATOM 1166 CA LYS A 76 -8.072 1.112 -8.710 1.00 0.00 C ATOM 1167 C LYS A 76 -7.606 1.437 -7.284 1.00 0.00 C ATOM 1168 O LYS A 76 -7.295 2.591 -6.993 1.00 0.00 O ATOM 1169 CB LYS A 76 -9.147 2.061 -9.230 1.00 0.00 C ATOM 1170 CG LYS A 76 -9.503 1.812 -10.697 1.00 0.00 C ATOM 1171 CD LYS A 76 -10.259 2.999 -11.287 1.00 0.00 C ATOM 1172 CE LYS A 76 -10.632 2.688 -12.738 1.00 0.00 C ATOM 1173 NZ LYS A 76 -11.899 1.933 -12.865 1.00 0.00 N ATOM 0 H LYS A 76 -9.382 -0.458 -8.310 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.195 1.254 -9.342 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.044 1.954 -8.621 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -8.804 3.089 -9.114 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.593 1.635 -11.270 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.112 0.912 -10.779 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.157 3.200 -10.703 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.642 3.897 -11.242 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.716 3.622 -13.293 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.827 2.115 -13.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.097 1.753 -13.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.815 1.027 -12.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -12.676 2.488 -12.453 1.00 0.00 H new ATOM 1187 N GLY A 77 -7.508 0.444 -6.400 1.00 0.00 N ATOM 1188 CA GLY A 77 -7.056 0.572 -5.021 1.00 0.00 C ATOM 1189 C GLY A 77 -8.190 0.246 -4.057 1.00 0.00 C ATOM 1190 O GLY A 77 -9.365 0.214 -4.439 1.00 0.00 O ATOM 0 H GLY A 77 -7.754 -0.516 -6.641 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.215 -0.099 -4.844 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.698 1.586 -4.842 1.00 0.00 H new ATOM 1194 N ALA A 78 -7.855 -0.003 -2.794 1.00 0.00 N ATOM 1195 CA ALA A 78 -8.822 -0.349 -1.764 1.00 0.00 C ATOM 1196 C ALA A 78 -8.367 0.160 -0.402 1.00 0.00 C ATOM 1197 O ALA A 78 -7.246 0.644 -0.233 1.00 0.00 O ATOM 1198 CB ALA A 78 -8.997 -1.869 -1.735 1.00 0.00 C ATOM 0 H ALA A 78 -6.893 0.031 -2.456 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.776 0.125 -1.994 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.721 -2.137 -0.965 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.355 -2.213 -2.705 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.040 -2.341 -1.514 1.00 0.00 H new ATOM 1204 N LYS A 79 -9.252 0.024 0.574 1.00 0.00 N ATOM 1205 CA LYS A 79 -9.088 0.346 1.973 1.00 0.00 C ATOM 1206 C LYS A 79 -9.766 -0.767 2.768 1.00 0.00 C ATOM 1207 O LYS A 79 -10.420 -1.652 2.206 1.00 0.00 O ATOM 1208 CB LYS A 79 -9.664 1.747 2.296 1.00 0.00 C ATOM 1209 CG LYS A 79 -10.720 2.262 1.302 1.00 0.00 C ATOM 1210 CD LYS A 79 -11.514 3.461 1.816 1.00 0.00 C ATOM 1211 CE LYS A 79 -12.974 3.086 2.090 1.00 0.00 C ATOM 1212 NZ LYS A 79 -13.252 2.738 3.507 1.00 0.00 N ATOM 0 H LYS A 79 -10.183 -0.348 0.384 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.034 0.400 2.244 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.107 1.720 3.292 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.842 2.462 2.332 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.225 2.537 0.370 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.412 1.453 1.069 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.056 3.839 2.730 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.475 4.267 1.083 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.613 3.919 1.799 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -13.246 2.240 1.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.231 2.399 3.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.598 1.991 3.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.122 3.580 4.103 1.00 0.00 H new ATOM 1226 N LEU A 80 -9.552 -0.724 4.072 1.00 0.00 N ATOM 1227 CA LEU A 80 -10.180 -1.547 5.085 1.00 0.00 C ATOM 1228 C LEU A 80 -11.178 -0.625 5.802 1.00 0.00 C ATOM 1229 O LEU A 80 -11.579 0.414 5.261 1.00 0.00 O ATOM 1230 CB LEU A 80 -9.050 -2.104 5.987 1.00 0.00 C ATOM 1231 CG LEU A 80 -9.343 -3.406 6.746 1.00 0.00 C ATOM 1232 CD1 LEU A 80 -9.368 -4.614 5.816 1.00 0.00 C ATOM 1233 CD2 LEU A 80 -8.284 -3.639 7.828 1.00 0.00 C ATOM 0 H LEU A 80 -8.887 -0.065 4.477 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.729 -2.412 4.711 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.169 -2.265 5.366 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.790 -1.337 6.717 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.328 -3.296 7.199 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.579 -5.514 6.394 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.144 -4.477 5.062 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.400 -4.716 5.326 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.504 -4.565 8.359 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.300 -3.711 7.365 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.294 -2.807 8.532 1.00 0.00 H new ATOM 1245 N LEU A 81 -11.530 -0.996 7.031 1.00 0.00 N ATOM 1246 CA LEU A 81 -12.449 -0.330 7.943 1.00 0.00 C ATOM 1247 C LEU A 81 -12.282 1.189 7.920 1.00 0.00 C ATOM 1248 O LEU A 81 -13.188 1.921 7.521 1.00 0.00 O ATOM 1249 CB LEU A 81 -12.216 -0.911 9.350 1.00 0.00 C ATOM 1250 CG LEU A 81 -13.406 -0.866 10.320 1.00 0.00 C ATOM 1251 CD1 LEU A 81 -14.024 0.527 10.495 1.00 0.00 C ATOM 1252 CD2 LEU A 81 -14.505 -1.845 9.943 1.00 0.00 C ATOM 0 H LEU A 81 -11.145 -1.844 7.447 1.00 0.00 H new ATOM 0 HA LEU A 81 -13.477 -0.513 7.629 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.904 -1.950 9.242 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.384 -0.374 9.806 1.00 0.00 H new ATOM 0 HG LEU A 81 -12.968 -1.158 11.274 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -14.857 0.470 11.195 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -13.271 1.213 10.882 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -14.384 0.889 9.532 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -15.321 -1.771 10.662 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -14.877 -1.608 8.946 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -14.107 -2.860 9.950 1.00 0.00 H new ATOM 1264 N HIS A 82 -11.121 1.674 8.368 1.00 0.00 N ATOM 1265 CA HIS A 82 -10.822 3.101 8.404 1.00 0.00 C ATOM 1266 C HIS A 82 -9.360 3.402 8.085 1.00 0.00 C ATOM 1267 O HIS A 82 -8.865 4.484 8.391 1.00 0.00 O ATOM 1268 CB HIS A 82 -11.304 3.716 9.730 1.00 0.00 C ATOM 1269 CG HIS A 82 -10.490 3.340 10.943 1.00 0.00 C ATOM 1270 ND1 HIS A 82 -9.652 4.189 11.629 1.00 0.00 N ATOM 1271 CD2 HIS A 82 -10.459 2.123 11.570 1.00 0.00 C ATOM 1272 CE1 HIS A 82 -9.107 3.495 12.643 1.00 0.00 C ATOM 1273 NE2 HIS A 82 -9.576 2.232 12.652 1.00 0.00 N ATOM 0 H HIS A 82 -10.364 1.085 8.715 1.00 0.00 H new ATOM 0 HA HIS A 82 -11.382 3.587 7.605 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -11.300 4.802 9.632 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -12.338 3.414 9.898 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -11.013 1.242 11.283 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -8.394 3.893 13.350 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -9.335 1.498 13.318 1.00 0.00 H new ATOM 1281 N LYS A 83 -8.649 2.449 7.480 1.00 0.00 N ATOM 1282 CA LYS A 83 -7.266 2.573 7.075 1.00 0.00 C ATOM 1283 C LYS A 83 -7.090 2.080 5.638 1.00 0.00 C ATOM 1284 O LYS A 83 -7.994 1.439 5.095 1.00 0.00 O ATOM 1285 CB LYS A 83 -6.442 1.771 8.083 1.00 0.00 C ATOM 1286 CG LYS A 83 -6.234 2.578 9.372 1.00 0.00 C ATOM 1287 CD LYS A 83 -4.767 2.493 9.774 1.00 0.00 C ATOM 1288 CE LYS A 83 -4.457 1.132 10.395 1.00 0.00 C ATOM 1289 NZ LYS A 83 -3.005 0.886 10.472 1.00 0.00 N ATOM 0 H LYS A 83 -9.046 1.537 7.254 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.930 3.610 7.075 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -6.949 0.834 8.312 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -5.476 1.513 7.649 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.523 3.617 9.217 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.867 2.186 10.169 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -4.135 2.652 8.900 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -4.533 3.285 10.485 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -4.888 1.081 11.395 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -4.928 0.347 9.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -2.809 0.196 11.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -2.668 0.511 9.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -2.513 1.777 10.683 1.00 0.00 H new ATOM 1303 N PRO A 84 -5.973 2.413 4.977 1.00 0.00 N ATOM 1304 CA PRO A 84 -5.671 1.956 3.622 1.00 0.00 C ATOM 1305 C PRO A 84 -5.077 0.541 3.639 1.00 0.00 C ATOM 1306 O PRO A 84 -4.599 0.078 4.680 1.00 0.00 O ATOM 1307 CB PRO A 84 -4.671 2.982 3.100 1.00 0.00 C ATOM 1308 CG PRO A 84 -3.915 3.403 4.351 1.00 0.00 C ATOM 1309 CD PRO A 84 -4.948 3.322 5.466 1.00 0.00 C ATOM 0 HA PRO A 84 -6.557 1.889 2.991 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -4.004 2.550 2.354 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -5.172 3.828 2.629 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -3.069 2.743 4.545 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -3.516 4.412 4.253 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -4.502 2.951 6.389 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -5.366 4.304 5.686 1.00 0.00 H new ATOM 1317 N ILE A 85 -5.073 -0.146 2.490 1.00 0.00 N ATOM 1318 CA ILE A 85 -4.507 -1.494 2.349 1.00 0.00 C ATOM 1319 C ILE A 85 -3.634 -1.562 1.089 1.00 0.00 C ATOM 1320 O ILE A 85 -3.836 -0.794 0.138 1.00 0.00 O ATOM 1321 CB ILE A 85 -5.618 -2.583 2.383 1.00 0.00 C ATOM 1322 CG1 ILE A 85 -6.436 -2.680 1.072 1.00 0.00 C ATOM 1323 CG2 ILE A 85 -6.550 -2.412 3.578 1.00 0.00 C ATOM 1324 CD1 ILE A 85 -5.976 -3.836 0.172 1.00 0.00 C ATOM 0 H ILE A 85 -5.466 0.221 1.624 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.863 -1.705 3.203 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.082 -3.526 2.490 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.490 -2.811 1.315 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -6.350 -1.742 0.524 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.310 -3.193 3.562 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.975 -2.484 4.501 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.032 -1.436 3.526 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.584 -3.857 -0.733 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.929 -3.693 -0.097 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.088 -4.780 0.706 1.00 0.00 H new ATOM 1336 N VAL A 86 -2.715 -2.526 1.054 1.00 0.00 N ATOM 1337 CA VAL A 86 -1.951 -2.939 -0.122 1.00 0.00 C ATOM 1338 C VAL A 86 -1.927 -4.456 -0.188 1.00 0.00 C ATOM 1339 O VAL A 86 -2.211 -5.112 0.813 1.00 0.00 O ATOM 1340 CB VAL A 86 -0.506 -2.406 -0.093 1.00 0.00 C ATOM 1341 CG1 VAL A 86 -0.506 -0.907 -0.323 1.00 0.00 C ATOM 1342 CG2 VAL A 86 0.271 -2.752 1.185 1.00 0.00 C ATOM 0 H VAL A 86 -2.472 -3.066 1.885 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.438 -2.521 -1.003 1.00 0.00 H new ATOM 0 HB VAL A 86 0.021 -2.915 -0.900 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.519 -0.536 -0.301 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.951 -0.688 -1.294 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.086 -0.419 0.460 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.278 -2.339 1.122 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.242 -2.328 2.048 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.329 -3.835 1.293 1.00 0.00 H new ATOM 1352 N TRP A 87 -1.531 -4.996 -1.339 1.00 0.00 N ATOM 1353 CA TRP A 87 -1.334 -6.419 -1.539 1.00 0.00 C ATOM 1354 C TRP A 87 0.117 -6.753 -1.221 1.00 0.00 C ATOM 1355 O TRP A 87 1.018 -6.116 -1.776 1.00 0.00 O ATOM 1356 CB TRP A 87 -1.686 -6.761 -2.993 1.00 0.00 C ATOM 1357 CG TRP A 87 -3.017 -6.232 -3.430 1.00 0.00 C ATOM 1358 CD1 TRP A 87 -3.228 -5.290 -4.376 1.00 0.00 C ATOM 1359 CD2 TRP A 87 -4.326 -6.520 -2.857 1.00 0.00 C ATOM 1360 NE1 TRP A 87 -4.575 -4.985 -4.429 1.00 0.00 N ATOM 1361 CE2 TRP A 87 -5.299 -5.713 -3.515 1.00 0.00 C ATOM 1362 CE3 TRP A 87 -4.789 -7.361 -1.828 1.00 0.00 C ATOM 1363 CZ2 TRP A 87 -6.664 -5.756 -3.197 1.00 0.00 C ATOM 1364 CZ3 TRP A 87 -6.153 -7.420 -1.508 1.00 0.00 C ATOM 1365 CH2 TRP A 87 -7.095 -6.638 -2.198 1.00 0.00 C ATOM 0 H TRP A 87 -1.336 -4.440 -2.172 1.00 0.00 H new ATOM 0 HA TRP A 87 -1.976 -7.007 -0.883 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -0.913 -6.361 -3.649 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -1.678 -7.844 -3.115 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -2.463 -4.845 -4.995 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -4.982 -4.303 -5.069 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -4.085 -7.968 -1.278 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -7.369 -5.121 -3.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -6.485 -8.077 -0.718 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -8.145 -6.717 -1.959 1.00 0.00 H new ATOM 1376 N HIS A 88 0.348 -7.760 -0.378 1.00 0.00 N ATOM 1377 CA HIS A 88 1.651 -8.397 -0.203 1.00 0.00 C ATOM 1378 C HIS A 88 1.472 -9.904 -0.425 1.00 0.00 C ATOM 1379 O HIS A 88 0.348 -10.410 -0.339 1.00 0.00 O ATOM 1380 CB HIS A 88 2.248 -8.047 1.178 1.00 0.00 C ATOM 1381 CG HIS A 88 1.666 -8.812 2.347 1.00 0.00 C ATOM 1382 ND1 HIS A 88 2.370 -9.495 3.316 1.00 0.00 N ATOM 1383 CD2 HIS A 88 0.349 -8.848 2.719 1.00 0.00 C ATOM 1384 CE1 HIS A 88 1.495 -9.959 4.218 1.00 0.00 C ATOM 1385 NE2 HIS A 88 0.244 -9.616 3.881 1.00 0.00 N ATOM 0 H HIS A 88 -0.380 -8.162 0.213 1.00 0.00 H new ATOM 0 HA HIS A 88 2.372 -8.026 -0.932 1.00 0.00 H new ATOM 0 HB2 HIS A 88 3.323 -8.226 1.147 1.00 0.00 H new ATOM 0 HB3 HIS A 88 2.108 -6.981 1.357 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -0.468 -8.366 2.203 1.00 0.00 H new ATOM 0 HE1 HIS A 88 1.761 -10.530 5.095 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -0.613 -9.866 4.374 1.00 0.00 H new ATOM 1393 N ILE A 89 2.561 -10.634 -0.714 1.00 0.00 N ATOM 1394 CA ILE A 89 2.413 -12.032 -1.161 1.00 0.00 C ATOM 1395 C ILE A 89 3.216 -13.061 -0.372 1.00 0.00 C ATOM 1396 O ILE A 89 3.274 -14.233 -0.744 1.00 0.00 O ATOM 1397 CB ILE A 89 2.779 -12.053 -2.668 1.00 0.00 C ATOM 1398 CG1 ILE A 89 2.148 -13.208 -3.467 1.00 0.00 C ATOM 1399 CG2 ILE A 89 4.323 -12.037 -2.828 1.00 0.00 C ATOM 1400 CD1 ILE A 89 2.019 -12.896 -4.960 1.00 0.00 C ATOM 0 H ILE A 89 3.522 -10.297 -0.650 1.00 0.00 H new ATOM 0 HA ILE A 89 1.384 -12.342 -0.980 1.00 0.00 H new ATOM 0 HB ILE A 89 2.346 -11.152 -3.102 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.753 -14.105 -3.339 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.161 -13.429 -3.060 1.00 0.00 H new ATOM 0 HG21 ILE A 89 4.579 -12.052 -3.887 1.00 0.00 H new ATOM 0 HG22 ILE A 89 4.727 -11.134 -2.370 1.00 0.00 H new ATOM 0 HG23 ILE A 89 4.749 -12.914 -2.340 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.568 -13.746 -5.472 1.00 0.00 H new ATOM 0 HD12 ILE A 89 1.390 -12.016 -5.095 1.00 0.00 H new ATOM 0 HD13 ILE A 89 3.007 -12.703 -5.378 1.00 0.00 H new ATOM 1412 N ASN A 90 3.765 -12.631 0.747 1.00 0.00 N ATOM 1413 CA ASN A 90 4.881 -13.142 1.527 1.00 0.00 C ATOM 1414 C ASN A 90 5.664 -11.962 2.114 1.00 0.00 C ATOM 1415 O ASN A 90 6.878 -12.038 2.283 1.00 0.00 O ATOM 1416 CB ASN A 90 5.785 -14.157 0.797 1.00 0.00 C ATOM 1417 CG ASN A 90 6.595 -13.738 -0.423 1.00 0.00 C ATOM 1418 OD1 ASN A 90 6.519 -14.374 -1.470 1.00 0.00 O ATOM 1419 ND2 ASN A 90 7.444 -12.737 -0.326 1.00 0.00 N ATOM 0 H ASN A 90 3.385 -11.797 1.194 1.00 0.00 H new ATOM 0 HA ASN A 90 4.457 -13.739 2.334 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.490 -14.546 1.532 1.00 0.00 H new ATOM 0 HB3 ASN A 90 5.151 -14.989 0.491 1.00 0.00 H new ATOM 0 HD21 ASN A 90 8.036 -12.492 -1.119 1.00 0.00 H new ATOM 0 HD22 ASN A 90 7.510 -12.206 0.543 1.00 0.00 H new ATOM 1426 N GLN A 91 5.003 -10.823 2.350 1.00 0.00 N ATOM 1427 CA GLN A 91 5.641 -9.554 2.715 1.00 0.00 C ATOM 1428 C GLN A 91 6.483 -8.978 1.567 1.00 0.00 C ATOM 1429 O GLN A 91 7.398 -8.208 1.831 1.00 0.00 O ATOM 1430 CB GLN A 91 6.432 -9.679 4.032 1.00 0.00 C ATOM 1431 CG GLN A 91 5.608 -10.276 5.191 1.00 0.00 C ATOM 1432 CD GLN A 91 6.244 -11.474 5.877 1.00 0.00 C ATOM 1433 OE1 GLN A 91 5.553 -12.406 6.257 1.00 0.00 O ATOM 1434 NE2 GLN A 91 7.547 -11.518 6.063 1.00 0.00 N ATOM 0 H GLN A 91 3.987 -10.757 2.291 1.00 0.00 H new ATOM 0 HA GLN A 91 4.847 -8.830 2.895 1.00 0.00 H new ATOM 0 HB2 GLN A 91 7.309 -10.303 3.862 1.00 0.00 H new ATOM 0 HB3 GLN A 91 6.794 -8.693 4.324 1.00 0.00 H new ATOM 0 HG2 GLN A 91 5.438 -9.498 5.935 1.00 0.00 H new ATOM 0 HG3 GLN A 91 4.631 -10.571 4.809 1.00 0.00 H new ATOM 0 HE21 GLN A 91 8.133 -10.745 5.749 1.00 0.00 H new ATOM 0 HE22 GLN A 91 7.970 -12.326 6.521 1.00 0.00 H new ATOM 1443 N ALA A 92 6.171 -9.312 0.302 1.00 0.00 N ATOM 1444 CA ALA A 92 6.877 -8.739 -0.846 1.00 0.00 C ATOM 1445 C ALA A 92 5.892 -8.190 -1.867 1.00 0.00 C ATOM 1446 O ALA A 92 4.727 -8.618 -1.892 1.00 0.00 O ATOM 1447 CB ALA A 92 7.766 -9.798 -1.498 1.00 0.00 C ATOM 0 H ALA A 92 5.436 -9.974 0.055 1.00 0.00 H new ATOM 0 HA ALA A 92 7.499 -7.918 -0.490 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.286 -9.362 -2.351 1.00 0.00 H new ATOM 0 HB2 ALA A 92 8.496 -10.157 -0.772 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.151 -10.631 -1.837 1.00 0.00 H new ATOM 1453 N THR A 93 6.396 -7.321 -2.743 1.00 0.00 N ATOM 1454 CA THR A 93 5.724 -6.815 -3.929 1.00 0.00 C ATOM 1455 C THR A 93 6.327 -7.560 -5.138 1.00 0.00 C ATOM 1456 O THR A 93 7.402 -8.157 -5.034 1.00 0.00 O ATOM 1457 CB THR A 93 5.813 -5.272 -3.931 1.00 0.00 C ATOM 1458 OG1 THR A 93 5.128 -4.721 -5.036 1.00 0.00 O ATOM 1459 CG2 THR A 93 7.223 -4.674 -3.869 1.00 0.00 C ATOM 0 H THR A 93 7.333 -6.934 -2.634 1.00 0.00 H new ATOM 0 HA THR A 93 4.653 -7.012 -3.965 1.00 0.00 H new ATOM 0 HB THR A 93 5.335 -4.996 -2.991 1.00 0.00 H new ATOM 0 HG1 THR A 93 5.199 -3.744 -5.011 1.00 0.00 H new ATOM 0 HG21 THR A 93 7.157 -3.586 -3.876 1.00 0.00 H new ATOM 0 HG22 THR A 93 7.717 -5.002 -2.954 1.00 0.00 H new ATOM 0 HG23 THR A 93 7.798 -5.009 -4.732 1.00 0.00 H new ATOM 1467 N THR A 94 5.627 -7.618 -6.267 1.00 0.00 N ATOM 1468 CA THR A 94 5.969 -8.417 -7.449 1.00 0.00 C ATOM 1469 C THR A 94 5.442 -7.694 -8.683 1.00 0.00 C ATOM 1470 O THR A 94 4.606 -6.807 -8.545 1.00 0.00 O ATOM 1471 CB THR A 94 5.278 -9.795 -7.383 1.00 0.00 C ATOM 1472 OG1 THR A 94 3.912 -9.642 -7.056 1.00 0.00 O ATOM 1473 CG2 THR A 94 5.914 -10.765 -6.398 1.00 0.00 C ATOM 0 H THR A 94 4.766 -7.086 -6.393 1.00 0.00 H new ATOM 0 HA THR A 94 7.050 -8.550 -7.490 1.00 0.00 H new ATOM 0 HB THR A 94 5.398 -10.227 -8.376 1.00 0.00 H new ATOM 0 HG1 THR A 94 3.562 -10.489 -6.709 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.369 -11.709 -6.413 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.952 -10.941 -6.680 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.877 -10.341 -5.395 1.00 0.00 H new ATOM 1481 N LYS A 95 5.788 -8.122 -9.903 1.00 0.00 N ATOM 1482 CA LYS A 95 5.058 -7.663 -11.090 1.00 0.00 C ATOM 1483 C LYS A 95 3.551 -7.930 -10.985 1.00 0.00 C ATOM 1484 O LYS A 95 2.778 -7.216 -11.624 1.00 0.00 O ATOM 1485 CB LYS A 95 5.624 -8.279 -12.383 1.00 0.00 C ATOM 1486 CG LYS A 95 6.501 -7.305 -13.174 1.00 0.00 C ATOM 1487 CD LYS A 95 7.884 -7.142 -12.547 1.00 0.00 C ATOM 1488 CE LYS A 95 8.620 -6.018 -13.275 1.00 0.00 C ATOM 1489 NZ LYS A 95 9.957 -5.810 -12.699 1.00 0.00 N ATOM 0 H LYS A 95 6.552 -8.771 -10.092 1.00 0.00 H new ATOM 0 HA LYS A 95 5.201 -6.583 -11.136 1.00 0.00 H new ATOM 0 HB2 LYS A 95 6.208 -9.164 -12.132 1.00 0.00 H new ATOM 0 HB3 LYS A 95 4.799 -8.610 -13.013 1.00 0.00 H new ATOM 0 HG2 LYS A 95 6.607 -7.663 -14.198 1.00 0.00 H new ATOM 0 HG3 LYS A 95 6.009 -6.334 -13.225 1.00 0.00 H new ATOM 0 HD2 LYS A 95 7.793 -6.910 -11.486 1.00 0.00 H new ATOM 0 HD3 LYS A 95 8.446 -8.073 -12.623 1.00 0.00 H new ATOM 0 HE2 LYS A 95 8.709 -6.262 -14.334 1.00 0.00 H new ATOM 0 HE3 LYS A 95 8.043 -5.096 -13.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 10.439 -5.042 -13.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 9.867 -5.556 -11.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 10.512 -6.685 -12.786 1.00 0.00 H new ATOM 1503 N THR A 96 3.105 -8.923 -10.212 1.00 0.00 N ATOM 1504 CA THR A 96 1.687 -9.179 -9.995 1.00 0.00 C ATOM 1505 C THR A 96 1.037 -8.050 -9.193 1.00 0.00 C ATOM 1506 O THR A 96 -0.058 -7.618 -9.563 1.00 0.00 O ATOM 1507 CB THR A 96 1.515 -10.561 -9.347 1.00 0.00 C ATOM 1508 OG1 THR A 96 2.080 -11.524 -10.214 1.00 0.00 O ATOM 1509 CG2 THR A 96 0.049 -10.935 -9.131 1.00 0.00 C ATOM 0 H THR A 96 3.721 -9.571 -9.720 1.00 0.00 H new ATOM 0 HA THR A 96 1.164 -9.196 -10.951 1.00 0.00 H new ATOM 0 HB THR A 96 2.003 -10.532 -8.373 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.983 -12.416 -9.820 1.00 0.00 H new ATOM 0 HG21 THR A 96 -0.011 -11.921 -8.670 1.00 0.00 H new ATOM 0 HG22 THR A 96 -0.422 -10.200 -8.478 1.00 0.00 H new ATOM 0 HG23 THR A 96 -0.468 -10.951 -10.091 1.00 0.00 H new ATOM 1517 N THR A 97 1.691 -7.558 -8.139 1.00 0.00 N ATOM 1518 CA THR A 97 1.089 -6.647 -7.167 1.00 0.00 C ATOM 1519 C THR A 97 1.582 -5.214 -7.366 1.00 0.00 C ATOM 1520 O THR A 97 1.006 -4.288 -6.813 1.00 0.00 O ATOM 1521 CB THR A 97 1.374 -7.139 -5.741 1.00 0.00 C ATOM 1522 OG1 THR A 97 2.766 -7.317 -5.612 1.00 0.00 O ATOM 1523 CG2 THR A 97 0.665 -8.466 -5.440 1.00 0.00 C ATOM 0 H THR A 97 2.664 -7.784 -7.935 1.00 0.00 H new ATOM 0 HA THR A 97 0.010 -6.640 -7.324 1.00 0.00 H new ATOM 0 HB THR A 97 0.999 -6.399 -5.034 1.00 0.00 H new ATOM 0 HG1 THR A 97 3.032 -8.150 -6.054 1.00 0.00 H new ATOM 0 HG21 THR A 97 0.894 -8.778 -4.421 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.412 -8.335 -5.546 1.00 0.00 H new ATOM 0 HG23 THR A 97 1.009 -9.229 -6.139 1.00 0.00 H new ATOM 1531 N PHE A 98 2.580 -5.015 -8.221 1.00 0.00 N ATOM 1532 CA PHE A 98 3.233 -3.767 -8.569 1.00 0.00 C ATOM 1533 C PHE A 98 2.162 -2.802 -9.037 1.00 0.00 C ATOM 1534 O PHE A 98 1.859 -1.848 -8.326 1.00 0.00 O ATOM 1535 CB PHE A 98 4.313 -4.051 -9.632 1.00 0.00 C ATOM 1536 CG PHE A 98 4.602 -2.942 -10.620 1.00 0.00 C ATOM 1537 CD1 PHE A 98 5.208 -1.749 -10.195 1.00 0.00 C ATOM 1538 CD2 PHE A 98 4.245 -3.111 -11.971 1.00 0.00 C ATOM 1539 CE1 PHE A 98 5.452 -0.715 -11.115 1.00 0.00 C ATOM 1540 CE2 PHE A 98 4.499 -2.080 -12.892 1.00 0.00 C ATOM 1541 CZ PHE A 98 5.104 -0.886 -12.464 1.00 0.00 C ATOM 0 H PHE A 98 2.986 -5.798 -8.733 1.00 0.00 H new ATOM 0 HA PHE A 98 3.743 -3.311 -7.721 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.241 -4.298 -9.117 1.00 0.00 H new ATOM 0 HB3 PHE A 98 4.014 -4.937 -10.193 1.00 0.00 H new ATOM 0 HD1 PHE A 98 5.487 -1.626 -9.159 1.00 0.00 H new ATOM 0 HD2 PHE A 98 3.778 -4.028 -12.298 1.00 0.00 H new ATOM 0 HE1 PHE A 98 5.906 0.208 -10.785 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.229 -2.206 -13.930 1.00 0.00 H new ATOM 0 HZ PHE A 98 5.302 -0.098 -13.175 1.00 0.00 H new ATOM 1551 N LYS A 99 1.545 -3.091 -10.189 1.00 0.00 N ATOM 1552 CA LYS A 99 0.509 -2.267 -10.803 1.00 0.00 C ATOM 1553 C LYS A 99 -0.569 -1.920 -9.777 1.00 0.00 C ATOM 1554 O LYS A 99 -0.804 -0.721 -9.589 1.00 0.00 O ATOM 1555 CB LYS A 99 -0.089 -2.969 -12.028 1.00 0.00 C ATOM 1556 CG LYS A 99 0.758 -2.747 -13.300 1.00 0.00 C ATOM 1557 CD LYS A 99 -0.035 -2.476 -14.593 1.00 0.00 C ATOM 1558 CE LYS A 99 -0.640 -3.739 -15.222 1.00 0.00 C ATOM 1559 NZ LYS A 99 -1.473 -3.415 -16.400 1.00 0.00 N ATOM 0 H LYS A 99 1.762 -3.928 -10.731 1.00 0.00 H new ATOM 0 HA LYS A 99 0.960 -1.336 -11.146 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -0.169 -4.038 -11.829 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -1.100 -2.600 -12.198 1.00 0.00 H new ATOM 0 HG2 LYS A 99 1.430 -1.906 -13.125 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.382 -3.627 -13.456 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -0.836 -1.769 -14.376 1.00 0.00 H new ATOM 0 HD3 LYS A 99 0.623 -1.999 -15.319 1.00 0.00 H new ATOM 0 HE2 LYS A 99 0.160 -4.418 -15.517 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -1.245 -4.262 -14.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -1.865 -4.291 -16.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -2.251 -2.787 -16.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -0.890 -2.939 -17.117 1.00 0.00 H new ATOM 1573 N PRO A 100 -1.201 -2.889 -9.084 1.00 0.00 N ATOM 1574 CA PRO A 100 -2.254 -2.538 -8.152 1.00 0.00 C ATOM 1575 C PRO A 100 -1.768 -1.783 -6.920 1.00 0.00 C ATOM 1576 O PRO A 100 -2.563 -1.062 -6.312 1.00 0.00 O ATOM 1577 CB PRO A 100 -2.976 -3.839 -7.799 1.00 0.00 C ATOM 1578 CG PRO A 100 -1.925 -4.906 -8.044 1.00 0.00 C ATOM 1579 CD PRO A 100 -1.118 -4.343 -9.215 1.00 0.00 C ATOM 0 HA PRO A 100 -2.935 -1.828 -8.622 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -3.316 -3.841 -6.763 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -3.856 -3.992 -8.424 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -1.301 -5.065 -7.165 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.377 -5.866 -8.292 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.083 -4.682 -9.177 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.527 -4.675 -10.169 1.00 0.00 H new ATOM 1587 N ASN A 101 -0.495 -1.894 -6.547 1.00 0.00 N ATOM 1588 CA ASN A 101 0.062 -1.162 -5.436 1.00 0.00 C ATOM 1589 C ASN A 101 0.404 0.264 -5.845 1.00 0.00 C ATOM 1590 O ASN A 101 0.259 1.158 -5.020 1.00 0.00 O ATOM 1591 CB ASN A 101 1.244 -1.931 -4.893 1.00 0.00 C ATOM 1592 CG ASN A 101 0.770 -3.049 -3.965 1.00 0.00 C ATOM 1593 OD1 ASN A 101 -0.412 -3.209 -3.643 1.00 0.00 O ATOM 1594 ND2 ASN A 101 1.681 -3.866 -3.507 1.00 0.00 N ATOM 0 H ASN A 101 0.176 -2.502 -7.018 1.00 0.00 H new ATOM 0 HA ASN A 101 -0.670 -1.068 -4.634 1.00 0.00 H new ATOM 0 HB2 ASN A 101 1.821 -2.353 -5.716 1.00 0.00 H new ATOM 0 HB3 ASN A 101 1.907 -1.257 -4.351 1.00 0.00 H new ATOM 0 HD21 ASN A 101 1.415 -4.631 -2.887 1.00 0.00 H new ATOM 0 HD22 ASN A 101 2.658 -3.739 -3.769 1.00 0.00 H new ATOM 1601 N THR A 102 0.727 0.522 -7.121 1.00 0.00 N ATOM 1602 CA THR A 102 0.938 1.893 -7.590 1.00 0.00 C ATOM 1603 C THR A 102 -0.271 2.787 -7.274 1.00 0.00 C ATOM 1604 O THR A 102 -0.114 3.940 -6.908 1.00 0.00 O ATOM 1605 CB THR A 102 1.265 1.994 -9.090 1.00 0.00 C ATOM 1606 OG1 THR A 102 0.118 1.803 -9.900 1.00 0.00 O ATOM 1607 CG2 THR A 102 2.226 1.009 -9.719 1.00 0.00 C ATOM 0 H THR A 102 0.846 -0.194 -7.837 1.00 0.00 H new ATOM 0 HA THR A 102 1.813 2.245 -7.043 1.00 0.00 H new ATOM 0 HB THR A 102 1.716 2.986 -9.076 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.185 0.874 -9.824 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.335 1.234 -10.780 1.00 0.00 H new ATOM 0 HG22 THR A 102 3.197 1.086 -9.231 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.839 -0.003 -9.600 1.00 0.00 H new ATOM 1615 N TRP A 103 -1.487 2.253 -7.390 1.00 0.00 N ATOM 1616 CA TRP A 103 -2.722 2.968 -7.129 1.00 0.00 C ATOM 1617 C TRP A 103 -2.905 3.218 -5.631 1.00 0.00 C ATOM 1618 O TRP A 103 -3.526 4.216 -5.275 1.00 0.00 O ATOM 1619 CB TRP A 103 -3.902 2.137 -7.636 1.00 0.00 C ATOM 1620 CG TRP A 103 -4.165 2.139 -9.110 1.00 0.00 C ATOM 1621 CD1 TRP A 103 -3.692 1.248 -10.010 1.00 0.00 C ATOM 1622 CD2 TRP A 103 -5.102 2.986 -9.837 1.00 0.00 C ATOM 1623 NE1 TRP A 103 -4.258 1.494 -11.245 1.00 0.00 N ATOM 1624 CE2 TRP A 103 -5.188 2.514 -11.179 1.00 0.00 C ATOM 1625 CE3 TRP A 103 -5.933 4.068 -9.475 1.00 0.00 C ATOM 1626 CZ2 TRP A 103 -6.093 3.068 -12.098 1.00 0.00 C ATOM 1627 CZ3 TRP A 103 -6.844 4.629 -10.387 1.00 0.00 C ATOM 1628 CH2 TRP A 103 -6.932 4.121 -11.694 1.00 0.00 C ATOM 0 H TRP A 103 -1.637 1.285 -7.676 1.00 0.00 H new ATOM 0 HA TRP A 103 -2.678 3.928 -7.644 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -3.745 1.105 -7.323 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -4.803 2.489 -7.133 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -2.981 0.464 -9.796 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -4.020 0.987 -12.098 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -5.868 4.474 -8.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -6.144 2.688 -13.108 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -7.476 5.450 -10.083 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -7.645 4.540 -12.389 1.00 0.00 H new ATOM 1639 N CYS A 104 -2.370 2.369 -4.743 1.00 0.00 N ATOM 1640 CA CYS A 104 -2.280 2.736 -3.334 1.00 0.00 C ATOM 1641 C CYS A 104 -1.354 3.940 -3.206 1.00 0.00 C ATOM 1642 O CYS A 104 -1.712 4.912 -2.556 1.00 0.00 O ATOM 1643 CB CYS A 104 -1.753 1.584 -2.476 1.00 0.00 C ATOM 1644 SG CYS A 104 -1.826 2.091 -0.735 1.00 0.00 S ATOM 0 H CYS A 104 -2.002 1.446 -4.973 1.00 0.00 H new ATOM 0 HA CYS A 104 -3.280 2.977 -2.973 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -2.351 0.687 -2.636 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -0.729 1.338 -2.757 1.00 0.00 H new ATOM 0 HG CYS A 104 -2.524 1.226 -0.060 1.00 0.00 H new ATOM 1650 N LEU A 105 -0.213 3.915 -3.896 1.00 0.00 N ATOM 1651 CA LEU A 105 0.745 5.006 -3.916 1.00 0.00 C ATOM 1652 C LEU A 105 0.239 6.164 -4.778 1.00 0.00 C ATOM 1653 O LEU A 105 1.022 7.080 -5.011 1.00 0.00 O ATOM 1654 CB LEU A 105 2.093 4.540 -4.506 1.00 0.00 C ATOM 1655 CG LEU A 105 2.813 3.380 -3.809 1.00 0.00 C ATOM 1656 CD1 LEU A 105 3.902 2.864 -4.755 1.00 0.00 C ATOM 1657 CD2 LEU A 105 3.445 3.836 -2.496 1.00 0.00 C ATOM 0 H LEU A 105 0.071 3.118 -4.465 1.00 0.00 H new ATOM 0 HA LEU A 105 0.875 5.334 -2.885 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.924 4.254 -5.544 1.00 0.00 H new ATOM 0 HB3 LEU A 105 2.768 5.396 -4.517 1.00 0.00 H new ATOM 0 HG LEU A 105 2.096 2.593 -3.577 1.00 0.00 H new ATOM 0 HD11 LEU A 105 4.431 2.036 -4.283 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.445 2.521 -5.683 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.605 3.668 -4.973 1.00 0.00 H new ATOM 0 HD21 LEU A 105 3.949 2.993 -2.023 1.00 0.00 H new ATOM 0 HD22 LEU A 105 4.169 4.626 -2.696 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.669 4.215 -1.831 1.00 0.00 H new ATOM 1669 N ARG A 106 -1.031 6.194 -5.207 1.00 0.00 N ATOM 1670 CA ARG A 106 -1.754 7.424 -5.576 1.00 0.00 C ATOM 1671 C ARG A 106 -2.821 7.841 -4.558 1.00 0.00 C ATOM 1672 O ARG A 106 -3.332 8.955 -4.636 1.00 0.00 O ATOM 1673 CB ARG A 106 -2.476 7.210 -6.910 1.00 0.00 C ATOM 1674 CG ARG A 106 -1.519 6.920 -8.060 1.00 0.00 C ATOM 1675 CD ARG A 106 -2.319 6.798 -9.360 1.00 0.00 C ATOM 1676 NE ARG A 106 -2.404 5.433 -9.894 1.00 0.00 N ATOM 1677 CZ ARG A 106 -1.510 4.856 -10.705 1.00 0.00 C ATOM 1678 NH1 ARG A 106 -0.369 5.459 -11.046 1.00 0.00 N ATOM 1679 NH2 ARG A 106 -1.786 3.648 -11.186 1.00 0.00 N ATOM 0 H ARG A 106 -1.596 5.351 -5.310 1.00 0.00 H new ATOM 0 HA ARG A 106 -0.998 8.208 -5.625 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -3.177 6.382 -6.809 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -3.063 8.098 -7.147 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -0.782 7.718 -8.146 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.970 5.998 -7.869 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -3.329 7.171 -9.187 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -1.865 7.442 -10.113 1.00 0.00 H new ATOM 0 HE ARG A 106 -3.215 4.876 -9.623 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -0.156 6.389 -10.686 1.00 0.00 H new ATOM 0 HH12 ARG A 106 0.290 4.989 -11.667 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -2.660 3.186 -10.934 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -1.124 3.183 -11.807 1.00 0.00 H new ATOM 1693 N CYS A 107 -3.222 6.951 -3.656 1.00 0.00 N ATOM 1694 CA CYS A 107 -4.302 7.159 -2.703 1.00 0.00 C ATOM 1695 C CYS A 107 -3.765 7.727 -1.380 1.00 0.00 C ATOM 1696 O CYS A 107 -4.479 8.445 -0.678 1.00 0.00 O ATOM 1697 CB CYS A 107 -4.994 5.800 -2.522 1.00 0.00 C ATOM 1698 SG CYS A 107 -6.633 5.940 -1.773 1.00 0.00 S ATOM 0 H CYS A 107 -2.787 6.033 -3.567 1.00 0.00 H new ATOM 0 HA CYS A 107 -5.019 7.895 -3.065 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -5.084 5.312 -3.492 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -4.369 5.160 -1.900 1.00 0.00 H new ATOM 0 HG CYS A 107 -7.158 4.757 -1.653 1.00 0.00 H new ATOM 1704 N LEU A 108 -2.499 7.435 -1.071 1.00 0.00 N ATOM 1705 CA LEU A 108 -1.697 7.962 0.035 1.00 0.00 C ATOM 1706 C LEU A 108 -1.270 9.421 -0.221 1.00 0.00 C ATOM 1707 O LEU A 108 -0.644 10.029 0.643 1.00 0.00 O ATOM 1708 CB LEU A 108 -0.417 7.099 0.152 1.00 0.00 C ATOM 1709 CG LEU A 108 -0.592 5.616 0.489 1.00 0.00 C ATOM 1710 CD1 LEU A 108 0.763 4.918 0.391 1.00 0.00 C ATOM 1711 CD2 LEU A 108 -1.205 5.376 1.870 1.00 0.00 C ATOM 0 H LEU A 108 -1.966 6.771 -1.633 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.296 7.931 0.945 1.00 0.00 H new ATOM 0 HB2 LEU A 108 0.122 7.168 -0.793 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.220 7.544 0.916 1.00 0.00 H new ATOM 0 HG LEU A 108 -1.294 5.201 -0.234 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.646 3.861 0.630 1.00 0.00 H new ATOM 0 HD12 LEU A 108 1.152 5.020 -0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.459 5.374 1.095 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -1.301 4.304 2.044 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.562 5.812 2.634 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.190 5.841 1.917 1.00 0.00 H new ATOM 1723 N TRP A 109 -1.515 9.983 -1.412 1.00 0.00 N ATOM 1724 CA TRP A 109 -1.022 11.288 -1.808 1.00 0.00 C ATOM 1725 C TRP A 109 -1.801 12.380 -1.072 1.00 0.00 C ATOM 1726 O TRP A 109 -2.848 12.149 -0.461 1.00 0.00 O ATOM 1727 CB TRP A 109 -1.096 11.447 -3.342 1.00 0.00 C ATOM 1728 CG TRP A 109 -0.065 10.813 -4.227 1.00 0.00 C ATOM 1729 CD1 TRP A 109 1.104 10.249 -3.858 1.00 0.00 C ATOM 1730 CD2 TRP A 109 -0.121 10.668 -5.679 1.00 0.00 C ATOM 1731 NE1 TRP A 109 1.754 9.760 -4.967 1.00 0.00 N ATOM 1732 CE2 TRP A 109 1.067 10.024 -6.124 1.00 0.00 C ATOM 1733 CE3 TRP A 109 -1.091 10.953 -6.661 1.00 0.00 C ATOM 1734 CZ2 TRP A 109 1.303 9.722 -7.471 1.00 0.00 C ATOM 1735 CZ3 TRP A 109 -0.853 10.684 -8.021 1.00 0.00 C ATOM 1736 CH2 TRP A 109 0.348 10.085 -8.430 1.00 0.00 C ATOM 0 H TRP A 109 -2.073 9.526 -2.133 1.00 0.00 H new ATOM 0 HA TRP A 109 0.027 11.385 -1.528 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -2.068 11.067 -3.658 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -1.088 12.516 -3.555 1.00 0.00 H new ATOM 0 HD1 TRP A 109 1.473 10.190 -2.845 1.00 0.00 H new ATOM 0 HE1 TRP A 109 2.642 9.260 -4.933 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -2.035 11.386 -6.364 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 2.210 9.216 -7.767 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -1.601 10.941 -8.757 1.00 0.00 H new ATOM 0 HH2 TRP A 109 0.535 9.905 -9.478 1.00 0.00 H new ATOM 1747 N SER A 110 -1.268 13.587 -1.130 1.00 0.00 N ATOM 1748 CA SER A 110 -1.668 14.722 -0.340 1.00 0.00 C ATOM 1749 C SER A 110 -1.982 15.849 -1.322 1.00 0.00 C ATOM 1750 O SER A 110 -1.277 16.059 -2.306 1.00 0.00 O ATOM 1751 CB SER A 110 -0.520 15.029 0.631 1.00 0.00 C ATOM 1752 OG SER A 110 -0.185 13.920 1.470 1.00 0.00 O ATOM 0 H SER A 110 -0.502 13.807 -1.767 1.00 0.00 H new ATOM 0 HA SER A 110 -2.559 14.560 0.267 1.00 0.00 H new ATOM 0 HB2 SER A 110 0.361 15.325 0.061 1.00 0.00 H new ATOM 0 HB3 SER A 110 -0.797 15.879 1.255 1.00 0.00 H new ATOM 0 HG SER A 110 0.552 14.171 2.065 1.00 0.00 H new ATOM 1758 N THR A 111 -3.126 16.498 -1.154 1.00 0.00 N ATOM 1759 CA THR A 111 -3.616 17.510 -2.081 1.00 0.00 C ATOM 1760 C THR A 111 -2.816 18.797 -1.853 1.00 0.00 C ATOM 1761 O THR A 111 -3.043 19.479 -0.849 1.00 0.00 O ATOM 1762 CB THR A 111 -5.144 17.636 -1.899 1.00 0.00 C ATOM 1763 OG1 THR A 111 -5.551 17.571 -0.544 1.00 0.00 O ATOM 1764 CG2 THR A 111 -5.840 16.425 -2.536 1.00 0.00 C ATOM 0 H THR A 111 -3.747 16.335 -0.362 1.00 0.00 H new ATOM 0 HA THR A 111 -3.464 17.247 -3.128 1.00 0.00 H new ATOM 0 HB THR A 111 -5.405 18.597 -2.343 1.00 0.00 H new ATOM 0 HG1 THR A 111 -6.526 17.658 -0.491 1.00 0.00 H new ATOM 0 HG21 THR A 111 -6.918 16.516 -2.407 1.00 0.00 H new ATOM 0 HG22 THR A 111 -5.604 16.388 -3.599 1.00 0.00 H new ATOM 0 HG23 THR A 111 -5.492 15.511 -2.055 1.00 0.00 H new ATOM 1772 N LYS A 112 -1.832 19.105 -2.708 1.00 0.00 N ATOM 1773 CA LYS A 112 -0.931 20.245 -2.537 1.00 0.00 C ATOM 1774 C LYS A 112 -0.427 20.712 -3.911 1.00 0.00 C ATOM 1775 O LYS A 112 0.371 20.011 -4.537 1.00 0.00 O ATOM 1776 CB LYS A 112 0.236 19.879 -1.597 1.00 0.00 C ATOM 1777 CG LYS A 112 0.258 20.755 -0.332 1.00 0.00 C ATOM 1778 CD LYS A 112 0.955 22.104 -0.553 1.00 0.00 C ATOM 1779 CE LYS A 112 2.486 21.988 -0.551 1.00 0.00 C ATOM 1780 NZ LYS A 112 3.022 21.690 0.794 1.00 0.00 N ATOM 0 H LYS A 112 -1.639 18.560 -3.548 1.00 0.00 H new ATOM 0 HA LYS A 112 -1.473 21.069 -2.072 1.00 0.00 H new ATOM 0 HB2 LYS A 112 0.154 18.831 -1.310 1.00 0.00 H new ATOM 0 HB3 LYS A 112 1.180 19.991 -2.131 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -0.765 20.930 0.000 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.765 20.216 0.468 1.00 0.00 H new ATOM 0 HD2 LYS A 112 0.628 22.526 -1.503 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.647 22.800 0.227 1.00 0.00 H new ATOM 0 HE2 LYS A 112 2.790 21.203 -1.243 1.00 0.00 H new ATOM 0 HE3 LYS A 112 2.920 22.919 -0.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 4.052 21.837 0.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 2.580 22.322 1.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 2.812 20.702 1.040 1.00 0.00 H new ATOM 1794 N PRO A 113 -0.908 21.855 -4.422 1.00 0.00 N ATOM 1795 CA PRO A 113 -0.361 22.476 -5.618 1.00 0.00 C ATOM 1796 C PRO A 113 0.974 23.170 -5.307 1.00 0.00 C ATOM 1797 O PRO A 113 1.381 23.267 -4.146 1.00 0.00 O ATOM 1798 CB PRO A 113 -1.444 23.450 -6.065 1.00 0.00 C ATOM 1799 CG PRO A 113 -2.098 23.895 -4.754 1.00 0.00 C ATOM 1800 CD PRO A 113 -1.958 22.677 -3.843 1.00 0.00 C ATOM 0 HA PRO A 113 -0.126 21.761 -6.406 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -1.022 24.295 -6.609 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -2.164 22.971 -6.729 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -1.598 24.768 -4.334 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -3.143 24.166 -4.901 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -1.701 22.978 -2.827 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -2.896 22.125 -3.784 1.00 0.00 H new ATOM 1808 N VAL A 114 1.653 23.664 -6.349 1.00 0.00 N ATOM 1809 CA VAL A 114 2.982 24.251 -6.378 1.00 0.00 C ATOM 1810 C VAL A 114 4.061 23.490 -5.593 1.00 0.00 C ATOM 1811 O VAL A 114 5.096 24.053 -5.235 1.00 0.00 O ATOM 1812 CB VAL A 114 2.918 25.767 -6.150 1.00 0.00 C ATOM 1813 CG1 VAL A 114 1.939 26.455 -7.105 1.00 0.00 C ATOM 1814 CG2 VAL A 114 2.607 26.220 -4.718 1.00 0.00 C ATOM 0 H VAL A 114 1.237 23.658 -7.280 1.00 0.00 H new ATOM 0 HA VAL A 114 3.361 24.119 -7.392 1.00 0.00 H new ATOM 0 HB VAL A 114 3.942 26.078 -6.356 1.00 0.00 H new ATOM 0 HG11 VAL A 114 1.928 27.527 -6.905 1.00 0.00 H new ATOM 0 HG12 VAL A 114 2.252 26.281 -8.134 1.00 0.00 H new ATOM 0 HG13 VAL A 114 0.939 26.048 -6.956 1.00 0.00 H new ATOM 0 HG21 VAL A 114 2.587 27.309 -4.677 1.00 0.00 H new ATOM 0 HG22 VAL A 114 1.636 25.828 -4.415 1.00 0.00 H new ATOM 0 HG23 VAL A 114 3.376 25.845 -4.043 1.00 0.00 H new ATOM 1824 N ASP A 115 3.838 22.196 -5.372 1.00 0.00 N ATOM 1825 CA ASP A 115 4.818 21.234 -4.876 1.00 0.00 C ATOM 1826 C ASP A 115 4.869 20.002 -5.792 1.00 0.00 C ATOM 1827 O ASP A 115 5.451 18.971 -5.460 1.00 0.00 O ATOM 1828 CB ASP A 115 4.465 20.844 -3.438 1.00 0.00 C ATOM 1829 CG ASP A 115 5.604 20.075 -2.773 1.00 0.00 C ATOM 1830 OD1 ASP A 115 6.772 20.488 -2.936 1.00 0.00 O ATOM 1831 OD2 ASP A 115 5.344 19.151 -1.968 1.00 0.00 O ATOM 0 H ASP A 115 2.927 21.771 -5.542 1.00 0.00 H new ATOM 0 HA ASP A 115 5.809 21.688 -4.880 1.00 0.00 H new ATOM 0 HB2 ASP A 115 4.244 21.741 -2.860 1.00 0.00 H new ATOM 0 HB3 ASP A 115 3.562 20.233 -3.436 1.00 0.00 H new ATOM 1836 N THR A 116 4.237 20.101 -6.962 1.00 0.00 N ATOM 1837 CA THR A 116 4.254 19.096 -8.002 1.00 0.00 C ATOM 1838 C THR A 116 5.270 19.567 -9.033 1.00 0.00 C ATOM 1839 O THR A 116 6.171 18.778 -9.376 1.00 0.00 O ATOM 1840 CB THR A 116 2.833 18.932 -8.536 1.00 0.00 C ATOM 1841 OG1 THR A 116 2.009 18.430 -7.496 1.00 0.00 O ATOM 1842 CG2 THR A 116 2.752 17.991 -9.737 1.00 0.00 C ATOM 0 H THR A 116 3.680 20.919 -7.212 1.00 0.00 H new ATOM 0 HA THR A 116 4.558 18.106 -7.662 1.00 0.00 H new ATOM 0 HB THR A 116 2.496 19.912 -8.873 1.00 0.00 H new ATOM 0 HG1 THR A 116 1.093 18.322 -7.828 1.00 0.00 H new ATOM 0 HG21 THR A 116 1.717 17.915 -10.071 1.00 0.00 H new ATOM 0 HG22 THR A 116 3.367 18.382 -10.548 1.00 0.00 H new ATOM 0 HG23 THR A 116 3.114 17.004 -9.451 1.00 0.00 H new TER 1850 THR A 116