USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=32 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 26:sc= 0.921 USER MOD Set 1.2: A 97 THR OG1 : rot -130:sc= 1.17 USER MOD Set 1.3: A 101 ASN : amide:sc= -1.13 K(o=0.96,f=-0.82!) USER MOD Set 2.1: A 94 THR OG1 : rot 180:sc= 0.181 USER MOD Set 2.2: A 96 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 26 THR OG1 : rot 174:sc= 0.995 USER MOD Set 3.2: A 51 SER OG : rot -43:sc= 1.16 USER MOD Set 4.1: A 27 CYS SG : rot -142:sc= 0.784 USER MOD Set 4.2: A 28 SER OG : rot 180:sc= 0.00994 USER MOD Set 5.1: A 12 THR OG1 : rot 180:sc= -0.261 USER MOD Set 5.2: A 107 CYS SG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.112) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.164 X(o=-0.16,f=-0.0016) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.794 K(o=0.79,f=0) USER MOD Single : A 24 LYS NZ :NH3+ -153:sc= 0.0748 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0.882 K(o=0.88,f=-1.9!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0114 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.0475 K(o=-0.048,f=-2.9!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 MET CE :methyl 172:sc= -2.7 (180deg=-2.95) USER MOD Single : A 40 THR OG1 : rot -118:sc= 1.95 USER MOD Single : A 43 THR OG1 : rot 13:sc= 0.0636 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot -100:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.521 X(o=-0.52,f=-0.078) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HE2:sc= -1.04 K(o=-1,f=-5.3!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0.0403 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+ -163:sc= 0.75 (180deg=0.477) USER MOD Single : A 82 HIS : no HD1:sc= -0.24 X(o=-0.24,f=-0.54) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HD1:sc= -1.12 K(o=-1.1,f=-1.9) USER MOD Single : A 90 ASN : amide:sc= 0.911 K(o=0.91,f=-0.61) USER MOD Single : A 91 GLN : amide:sc= -0.0112 X(o=-0.011,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -62:sc= 0.528 USER MOD Single : A 104 CYS SG : rot 125:sc= 0.0352 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.0142 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 17:sc= 0.197 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.480 -22.868 -0.970 1.00 0.00 N ATOM 2 CA MET A 1 -10.855 -22.311 0.235 1.00 0.00 C ATOM 3 C MET A 1 -11.933 -21.651 1.086 1.00 0.00 C ATOM 4 O MET A 1 -12.378 -22.239 2.074 1.00 0.00 O ATOM 5 CB MET A 1 -9.699 -21.352 -0.098 1.00 0.00 C ATOM 6 CG MET A 1 -8.539 -22.076 -0.785 1.00 0.00 C ATOM 7 SD MET A 1 -7.092 -21.040 -1.079 1.00 0.00 S ATOM 8 CE MET A 1 -6.034 -22.251 -1.912 1.00 0.00 C ATOM 0 H1 MET A 1 -10.793 -23.464 -1.474 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.304 -23.442 -0.700 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.787 -22.093 -1.592 1.00 0.00 H new ATOM 0 HA MET A 1 -10.399 -23.119 0.807 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.064 -20.554 -0.745 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.342 -20.881 0.818 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.244 -22.928 -0.173 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.887 -22.474 -1.738 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.084 -21.785 -2.173 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.854 -23.096 -1.247 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.527 -22.602 -2.819 1.00 0.00 H new ATOM 18 N TYR A 2 -12.376 -20.446 0.727 1.00 0.00 N ATOM 19 CA TYR A 2 -13.461 -19.741 1.387 1.00 0.00 C ATOM 20 C TYR A 2 -14.207 -18.902 0.355 1.00 0.00 C ATOM 21 O TYR A 2 -13.618 -18.466 -0.640 1.00 0.00 O ATOM 22 CB TYR A 2 -12.905 -18.836 2.503 1.00 0.00 C ATOM 23 CG TYR A 2 -13.255 -19.281 3.905 1.00 0.00 C ATOM 24 CD1 TYR A 2 -14.605 -19.318 4.299 1.00 0.00 C ATOM 25 CD2 TYR A 2 -12.247 -19.580 4.838 1.00 0.00 C ATOM 26 CE1 TYR A 2 -14.958 -19.608 5.625 1.00 0.00 C ATOM 27 CE2 TYR A 2 -12.596 -19.975 6.141 1.00 0.00 C ATOM 28 CZ TYR A 2 -13.950 -19.976 6.547 1.00 0.00 C ATOM 29 OH TYR A 2 -14.255 -20.410 7.802 1.00 0.00 O ATOM 0 H TYR A 2 -11.975 -19.924 -0.053 1.00 0.00 H new ATOM 0 HA TYR A 2 -14.144 -20.462 1.836 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -11.820 -18.791 2.410 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -13.280 -17.824 2.353 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -15.379 -19.121 3.572 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -11.207 -19.506 4.554 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -15.990 -19.551 5.939 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -11.826 -20.279 6.835 1.00 0.00 H new ATOM 0 HH TYR A 2 -13.429 -20.617 8.287 1.00 0.00 H new ATOM 39 N THR A 3 -15.472 -18.632 0.654 1.00 0.00 N ATOM 40 CA THR A 3 -16.353 -17.707 -0.050 1.00 0.00 C ATOM 41 C THR A 3 -17.066 -16.848 1.018 1.00 0.00 C ATOM 42 O THR A 3 -18.234 -16.477 0.904 1.00 0.00 O ATOM 43 CB THR A 3 -17.318 -18.510 -0.941 1.00 0.00 C ATOM 44 OG1 THR A 3 -16.656 -19.585 -1.586 1.00 0.00 O ATOM 45 CG2 THR A 3 -17.965 -17.660 -2.039 1.00 0.00 C ATOM 0 H THR A 3 -15.939 -19.080 1.442 1.00 0.00 H new ATOM 0 HA THR A 3 -15.811 -17.036 -0.716 1.00 0.00 H new ATOM 0 HB THR A 3 -18.088 -18.875 -0.261 1.00 0.00 H new ATOM 0 HG1 THR A 3 -17.296 -20.076 -2.143 1.00 0.00 H new ATOM 0 HG21 THR A 3 -18.634 -18.282 -2.634 1.00 0.00 H new ATOM 0 HG22 THR A 3 -18.532 -16.848 -1.584 1.00 0.00 H new ATOM 0 HG23 THR A 3 -17.189 -17.244 -2.682 1.00 0.00 H new ATOM 53 N GLU A 4 -16.396 -16.639 2.151 1.00 0.00 N ATOM 54 CA GLU A 4 -16.804 -15.749 3.239 1.00 0.00 C ATOM 55 C GLU A 4 -16.774 -14.289 2.721 1.00 0.00 C ATOM 56 O GLU A 4 -16.338 -14.052 1.585 1.00 0.00 O ATOM 57 CB GLU A 4 -15.882 -16.043 4.432 1.00 0.00 C ATOM 58 CG GLU A 4 -16.370 -15.554 5.796 1.00 0.00 C ATOM 59 CD GLU A 4 -15.853 -14.175 6.194 1.00 0.00 C ATOM 60 OE1 GLU A 4 -14.621 -13.965 6.208 1.00 0.00 O ATOM 61 OE2 GLU A 4 -16.711 -13.312 6.490 1.00 0.00 O ATOM 0 H GLU A 4 -15.511 -17.108 2.345 1.00 0.00 H new ATOM 0 HA GLU A 4 -17.826 -15.911 3.581 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -15.728 -17.121 4.489 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.910 -15.592 4.234 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -17.460 -15.533 5.792 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -16.068 -16.275 6.556 1.00 0.00 H new ATOM 68 N GLN A 5 -17.237 -13.301 3.495 1.00 0.00 N ATOM 69 CA GLN A 5 -17.091 -11.892 3.118 1.00 0.00 C ATOM 70 C GLN A 5 -15.607 -11.541 2.968 1.00 0.00 C ATOM 71 O GLN A 5 -14.757 -12.210 3.560 1.00 0.00 O ATOM 72 CB GLN A 5 -17.724 -10.975 4.177 1.00 0.00 C ATOM 73 CG GLN A 5 -19.248 -10.952 4.072 1.00 0.00 C ATOM 74 CD GLN A 5 -19.842 -9.955 5.061 1.00 0.00 C ATOM 75 OE1 GLN A 5 -19.578 -8.758 4.999 1.00 0.00 O ATOM 76 NE2 GLN A 5 -20.642 -10.413 6.005 1.00 0.00 N ATOM 0 H GLN A 5 -17.715 -13.451 4.384 1.00 0.00 H new ATOM 0 HA GLN A 5 -17.603 -11.740 2.168 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -17.434 -11.314 5.171 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -17.337 -9.963 4.059 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -19.543 -10.685 3.057 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -19.646 -11.948 4.268 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -20.858 -11.409 6.052 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -21.045 -9.771 6.688 1.00 0.00 H new ATOM 85 N PRO A 6 -15.253 -10.493 2.210 1.00 0.00 N ATOM 86 CA PRO A 6 -13.912 -9.971 2.313 1.00 0.00 C ATOM 87 C PRO A 6 -13.753 -9.261 3.651 1.00 0.00 C ATOM 88 O PRO A 6 -14.728 -8.800 4.242 1.00 0.00 O ATOM 89 CB PRO A 6 -13.753 -9.051 1.112 1.00 0.00 C ATOM 90 CG PRO A 6 -15.156 -8.465 0.964 1.00 0.00 C ATOM 91 CD PRO A 6 -16.079 -9.610 1.393 1.00 0.00 C ATOM 0 HA PRO A 6 -13.135 -10.735 2.294 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -13.006 -8.277 1.288 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -13.444 -9.596 0.220 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -15.290 -7.586 1.594 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -15.354 -8.155 -0.062 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -16.932 -9.235 1.959 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -16.479 -10.137 0.527 1.00 0.00 H new ATOM 99 N ILE A 7 -12.507 -9.168 4.103 1.00 0.00 N ATOM 100 CA ILE A 7 -12.132 -8.663 5.412 1.00 0.00 C ATOM 101 C ILE A 7 -12.408 -7.156 5.460 1.00 0.00 C ATOM 102 O ILE A 7 -11.509 -6.365 5.199 1.00 0.00 O ATOM 103 CB ILE A 7 -10.666 -9.076 5.698 1.00 0.00 C ATOM 104 CG1 ILE A 7 -10.524 -10.619 5.752 1.00 0.00 C ATOM 105 CG2 ILE A 7 -10.162 -8.505 7.028 1.00 0.00 C ATOM 106 CD1 ILE A 7 -9.072 -11.107 5.707 1.00 0.00 C ATOM 0 H ILE A 7 -11.703 -9.454 3.544 1.00 0.00 H new ATOM 0 HA ILE A 7 -12.727 -9.096 6.216 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.068 -8.671 4.881 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -10.993 -10.986 6.665 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -11.070 -11.055 4.915 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -9.131 -8.818 7.191 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -10.211 -7.416 6.998 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.786 -8.874 7.842 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -9.053 -12.196 5.749 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -8.604 -10.771 4.782 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -8.525 -10.702 6.558 1.00 0.00 H new ATOM 118 N ASP A 8 -13.661 -6.782 5.740 1.00 0.00 N ATOM 119 CA ASP A 8 -14.304 -5.462 5.626 1.00 0.00 C ATOM 120 C ASP A 8 -13.854 -4.664 4.394 1.00 0.00 C ATOM 121 O ASP A 8 -13.886 -3.429 4.393 1.00 0.00 O ATOM 122 CB ASP A 8 -14.172 -4.642 6.923 1.00 0.00 C ATOM 123 CG ASP A 8 -15.392 -3.763 7.268 1.00 0.00 C ATOM 124 OD1 ASP A 8 -16.271 -3.472 6.415 1.00 0.00 O ATOM 125 OD2 ASP A 8 -15.488 -3.349 8.448 1.00 0.00 O ATOM 0 H ASP A 8 -14.326 -7.471 6.091 1.00 0.00 H new ATOM 0 HA ASP A 8 -15.364 -5.665 5.474 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -13.992 -5.327 7.751 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -13.294 -4.002 6.842 1.00 0.00 H new ATOM 130 N LEU A 9 -13.367 -5.348 3.357 1.00 0.00 N ATOM 131 CA LEU A 9 -12.468 -4.770 2.380 1.00 0.00 C ATOM 132 C LEU A 9 -13.304 -4.084 1.323 1.00 0.00 C ATOM 133 O LEU A 9 -14.225 -4.692 0.774 1.00 0.00 O ATOM 134 CB LEU A 9 -11.588 -5.861 1.760 1.00 0.00 C ATOM 135 CG LEU A 9 -10.294 -5.272 1.184 1.00 0.00 C ATOM 136 CD1 LEU A 9 -9.287 -4.907 2.273 1.00 0.00 C ATOM 137 CD2 LEU A 9 -9.598 -6.307 0.314 1.00 0.00 C ATOM 0 H LEU A 9 -13.593 -6.326 3.178 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.806 -4.045 2.853 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.345 -6.608 2.515 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -12.140 -6.372 0.971 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.589 -4.382 0.628 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.388 -4.494 1.814 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.726 -4.166 2.941 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.027 -5.800 2.842 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.680 -5.883 -0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.358 -7.185 0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.257 -6.597 -0.505 1.00 0.00 H new ATOM 149 N VAL A 10 -12.976 -2.839 1.014 1.00 0.00 N ATOM 150 CA VAL A 10 -13.728 -2.027 0.068 1.00 0.00 C ATOM 151 C VAL A 10 -12.746 -1.328 -0.854 1.00 0.00 C ATOM 152 O VAL A 10 -11.667 -0.925 -0.408 1.00 0.00 O ATOM 153 CB VAL A 10 -14.715 -1.061 0.746 1.00 0.00 C ATOM 154 CG1 VAL A 10 -16.107 -1.698 0.777 1.00 0.00 C ATOM 155 CG2 VAL A 10 -14.325 -0.703 2.176 1.00 0.00 C ATOM 0 H VAL A 10 -12.172 -2.358 1.417 1.00 0.00 H new ATOM 0 HA VAL A 10 -14.369 -2.679 -0.525 1.00 0.00 H new ATOM 0 HB VAL A 10 -14.702 -0.143 0.159 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -16.809 -1.016 1.257 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -16.437 -1.901 -0.242 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -16.067 -2.632 1.338 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -15.064 -0.019 2.594 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -14.287 -1.609 2.780 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.346 -0.224 2.177 1.00 0.00 H new ATOM 165 N PRO A 11 -13.059 -1.212 -2.154 1.00 0.00 N ATOM 166 CA PRO A 11 -12.231 -0.422 -3.031 1.00 0.00 C ATOM 167 C PRO A 11 -12.301 1.048 -2.603 1.00 0.00 C ATOM 168 O PRO A 11 -13.190 1.460 -1.853 1.00 0.00 O ATOM 169 CB PRO A 11 -12.752 -0.651 -4.444 1.00 0.00 C ATOM 170 CG PRO A 11 -13.884 -1.669 -4.316 1.00 0.00 C ATOM 171 CD PRO A 11 -14.271 -1.621 -2.844 1.00 0.00 C ATOM 0 HA PRO A 11 -11.180 -0.707 -2.987 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -13.112 0.280 -4.883 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.962 -1.026 -5.095 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -14.726 -1.409 -4.957 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -13.556 -2.667 -4.609 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -15.082 -0.914 -2.671 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -14.616 -2.594 -2.494 1.00 0.00 H new ATOM 179 N THR A 12 -11.374 1.851 -3.101 1.00 0.00 N ATOM 180 CA THR A 12 -11.354 3.299 -2.943 1.00 0.00 C ATOM 181 C THR A 12 -10.836 3.883 -4.257 1.00 0.00 C ATOM 182 O THR A 12 -10.525 3.164 -5.214 1.00 0.00 O ATOM 183 CB THR A 12 -10.591 3.713 -1.648 1.00 0.00 C ATOM 184 OG1 THR A 12 -10.018 5.004 -1.652 1.00 0.00 O ATOM 185 CG2 THR A 12 -9.450 2.772 -1.292 1.00 0.00 C ATOM 0 H THR A 12 -10.586 1.501 -3.646 1.00 0.00 H new ATOM 0 HA THR A 12 -12.345 3.720 -2.776 1.00 0.00 H new ATOM 0 HB THR A 12 -11.401 3.677 -0.919 1.00 0.00 H new ATOM 0 HG1 THR A 12 -9.567 5.164 -0.797 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.963 3.119 -0.381 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.843 1.768 -1.133 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.726 2.754 -2.106 1.00 0.00 H new ATOM 193 N GLN A 13 -10.785 5.206 -4.299 1.00 0.00 N ATOM 194 CA GLN A 13 -10.297 6.003 -5.404 1.00 0.00 C ATOM 195 C GLN A 13 -9.271 7.014 -4.895 1.00 0.00 C ATOM 196 O GLN A 13 -9.431 7.521 -3.782 1.00 0.00 O ATOM 197 CB GLN A 13 -11.486 6.666 -6.106 1.00 0.00 C ATOM 198 CG GLN A 13 -12.422 7.508 -5.206 1.00 0.00 C ATOM 199 CD GLN A 13 -13.901 7.205 -5.457 1.00 0.00 C ATOM 200 OE1 GLN A 13 -14.399 7.298 -6.582 1.00 0.00 O ATOM 201 NE2 GLN A 13 -14.651 6.797 -4.446 1.00 0.00 N ATOM 0 H GLN A 13 -11.102 5.780 -3.517 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.789 5.378 -6.138 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -11.102 7.308 -6.899 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -12.079 5.888 -6.586 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -12.187 7.314 -4.160 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -12.236 8.567 -5.383 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -14.248 6.717 -3.512 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -15.632 6.563 -4.601 1.00 0.00 H new ATOM 210 N PRO A 14 -8.224 7.314 -5.678 1.00 0.00 N ATOM 211 CA PRO A 14 -7.280 8.357 -5.329 1.00 0.00 C ATOM 212 C PRO A 14 -7.975 9.702 -5.510 1.00 0.00 C ATOM 213 O PRO A 14 -8.773 9.886 -6.443 1.00 0.00 O ATOM 214 CB PRO A 14 -6.103 8.180 -6.287 1.00 0.00 C ATOM 215 CG PRO A 14 -6.740 7.567 -7.536 1.00 0.00 C ATOM 216 CD PRO A 14 -7.989 6.833 -7.030 1.00 0.00 C ATOM 0 HA PRO A 14 -6.928 8.308 -4.298 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.621 9.132 -6.510 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.339 7.527 -5.866 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.002 8.336 -8.262 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.054 6.881 -8.032 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.847 7.038 -7.670 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.836 5.754 -7.038 1.00 0.00 H new ATOM 224 N LEU A 15 -7.651 10.639 -4.628 1.00 0.00 N ATOM 225 CA LEU A 15 -8.227 11.974 -4.639 1.00 0.00 C ATOM 226 C LEU A 15 -7.869 12.673 -5.948 1.00 0.00 C ATOM 227 O LEU A 15 -6.819 12.399 -6.540 1.00 0.00 O ATOM 228 CB LEU A 15 -7.699 12.787 -3.449 1.00 0.00 C ATOM 229 CG LEU A 15 -8.314 12.525 -2.054 1.00 0.00 C ATOM 230 CD1 LEU A 15 -9.100 13.761 -1.617 1.00 0.00 C ATOM 231 CD2 LEU A 15 -9.187 11.272 -1.926 1.00 0.00 C ATOM 0 H LEU A 15 -6.975 10.490 -3.879 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.311 11.897 -4.556 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.625 12.613 -3.377 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.836 13.843 -3.680 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.467 12.327 -1.397 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -9.537 13.585 -0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.430 14.620 -1.568 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.894 13.961 -2.337 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.562 11.193 -0.906 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.027 11.342 -2.617 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.594 10.389 -2.164 1.00 0.00 H new ATOM 243 N PRO A 16 -8.714 13.605 -6.401 1.00 0.00 N ATOM 244 CA PRO A 16 -8.416 14.412 -7.564 1.00 0.00 C ATOM 245 C PRO A 16 -7.217 15.296 -7.241 1.00 0.00 C ATOM 246 O PRO A 16 -7.071 15.755 -6.109 1.00 0.00 O ATOM 247 CB PRO A 16 -9.686 15.219 -7.818 1.00 0.00 C ATOM 248 CG PRO A 16 -10.342 15.329 -6.442 1.00 0.00 C ATOM 249 CD PRO A 16 -9.933 14.045 -5.744 1.00 0.00 C ATOM 0 HA PRO A 16 -8.153 13.836 -8.451 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -9.457 16.202 -8.230 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.340 14.718 -8.532 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -9.992 16.208 -5.901 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.426 15.414 -6.521 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -9.764 14.215 -4.681 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.715 13.290 -5.826 1.00 0.00 H new ATOM 257 N ASN A 17 -6.370 15.565 -8.233 1.00 0.00 N ATOM 258 CA ASN A 17 -5.141 16.367 -8.177 1.00 0.00 C ATOM 259 C ASN A 17 -3.985 15.648 -7.488 1.00 0.00 C ATOM 260 O ASN A 17 -2.847 16.020 -7.772 1.00 0.00 O ATOM 261 CB ASN A 17 -5.320 17.738 -7.491 1.00 0.00 C ATOM 262 CG ASN A 17 -6.504 18.517 -8.018 1.00 0.00 C ATOM 263 OD1 ASN A 17 -6.370 19.255 -8.990 1.00 0.00 O ATOM 264 ND2 ASN A 17 -7.671 18.349 -7.418 1.00 0.00 N ATOM 0 H ASN A 17 -6.535 15.201 -9.172 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.902 16.525 -9.229 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.441 17.587 -6.418 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -4.414 18.328 -7.630 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.496 18.841 -7.761 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.746 17.728 -6.612 1.00 0.00 H new ATOM 271 N ALA A 18 -4.276 14.662 -6.622 1.00 0.00 N ATOM 272 CA ALA A 18 -3.363 14.018 -5.675 1.00 0.00 C ATOM 273 C ALA A 18 -1.985 13.789 -6.294 1.00 0.00 C ATOM 274 O ALA A 18 -1.879 13.358 -7.451 1.00 0.00 O ATOM 275 CB ALA A 18 -3.968 12.703 -5.161 1.00 0.00 C ATOM 0 H ALA A 18 -5.217 14.272 -6.565 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.226 14.688 -4.826 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.278 12.235 -4.458 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.913 12.909 -4.659 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.142 12.030 -6.001 1.00 0.00 H new ATOM 281 N SER A 19 -0.932 14.079 -5.534 1.00 0.00 N ATOM 282 CA SER A 19 0.436 14.110 -6.006 1.00 0.00 C ATOM 283 C SER A 19 1.364 13.876 -4.814 1.00 0.00 C ATOM 284 O SER A 19 1.009 14.108 -3.655 1.00 0.00 O ATOM 285 CB SER A 19 0.696 15.438 -6.728 1.00 0.00 C ATOM 286 OG SER A 19 0.570 16.565 -5.879 1.00 0.00 O ATOM 0 H SER A 19 -1.018 14.305 -4.543 1.00 0.00 H new ATOM 0 HA SER A 19 0.629 13.320 -6.732 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.699 15.422 -7.155 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.003 15.536 -7.559 1.00 0.00 H new ATOM 0 HG SER A 19 0.748 17.382 -6.391 1.00 0.00 H new ATOM 292 N PHE A 20 2.523 13.305 -5.088 1.00 0.00 N ATOM 293 CA PHE A 20 3.443 12.842 -4.078 1.00 0.00 C ATOM 294 C PHE A 20 4.076 14.050 -3.369 1.00 0.00 C ATOM 295 O PHE A 20 4.240 15.128 -3.950 1.00 0.00 O ATOM 296 CB PHE A 20 4.439 11.902 -4.777 1.00 0.00 C ATOM 297 CG PHE A 20 5.443 11.215 -3.884 1.00 0.00 C ATOM 298 CD1 PHE A 20 5.008 10.360 -2.856 1.00 0.00 C ATOM 299 CD2 PHE A 20 6.819 11.406 -4.097 1.00 0.00 C ATOM 300 CE1 PHE A 20 5.945 9.718 -2.030 1.00 0.00 C ATOM 301 CE2 PHE A 20 7.751 10.791 -3.247 1.00 0.00 C ATOM 302 CZ PHE A 20 7.313 9.964 -2.202 1.00 0.00 C ATOM 0 H PHE A 20 2.853 13.149 -6.040 1.00 0.00 H new ATOM 0 HA PHE A 20 2.960 12.274 -3.283 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.873 11.137 -5.309 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.983 12.476 -5.527 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.952 10.197 -2.701 1.00 0.00 H new ATOM 0 HD2 PHE A 20 7.159 12.025 -4.914 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.611 9.035 -1.263 1.00 0.00 H new ATOM 0 HE2 PHE A 20 8.808 10.955 -3.398 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.031 9.517 -1.530 1.00 0.00 H new ATOM 312 N ASP A 21 4.401 13.879 -2.093 1.00 0.00 N ATOM 313 CA ASP A 21 5.094 14.812 -1.204 1.00 0.00 C ATOM 314 C ASP A 21 6.439 14.149 -0.854 1.00 0.00 C ATOM 315 O ASP A 21 6.871 13.242 -1.574 1.00 0.00 O ATOM 316 CB ASP A 21 4.132 15.122 -0.028 1.00 0.00 C ATOM 317 CG ASP A 21 4.696 15.873 1.183 1.00 0.00 C ATOM 318 OD1 ASP A 21 5.646 16.675 1.052 1.00 0.00 O ATOM 319 OD2 ASP A 21 4.188 15.607 2.297 1.00 0.00 O ATOM 0 H ASP A 21 4.168 13.011 -1.610 1.00 0.00 H new ATOM 0 HA ASP A 21 5.341 15.785 -1.628 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.298 15.703 -0.423 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.722 14.176 0.327 1.00 0.00 H new ATOM 324 N ASN A 22 7.137 14.535 0.206 1.00 0.00 N ATOM 325 CA ASN A 22 8.375 13.886 0.621 1.00 0.00 C ATOM 326 C ASN A 22 8.151 12.758 1.638 1.00 0.00 C ATOM 327 O ASN A 22 9.129 12.302 2.230 1.00 0.00 O ATOM 328 CB ASN A 22 9.399 14.944 1.079 1.00 0.00 C ATOM 329 CG ASN A 22 10.449 15.118 -0.002 1.00 0.00 C ATOM 330 OD1 ASN A 22 10.124 15.513 -1.118 1.00 0.00 O ATOM 331 ND2 ASN A 22 11.697 14.799 0.287 1.00 0.00 N ATOM 0 H ASN A 22 6.859 15.312 0.806 1.00 0.00 H new ATOM 0 HA ASN A 22 8.799 13.377 -0.245 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.898 15.893 1.273 1.00 0.00 H new ATOM 0 HB3 ASN A 22 9.868 14.634 2.013 1.00 0.00 H new ATOM 0 HD21 ASN A 22 12.422 14.878 -0.426 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.936 14.474 1.224 1.00 0.00 H new ATOM 338 N PHE A 23 6.920 12.305 1.932 1.00 0.00 N ATOM 339 CA PHE A 23 6.747 11.213 2.897 1.00 0.00 C ATOM 340 C PHE A 23 7.487 9.960 2.421 1.00 0.00 C ATOM 341 O PHE A 23 7.459 9.585 1.242 1.00 0.00 O ATOM 342 CB PHE A 23 5.281 10.914 3.288 1.00 0.00 C ATOM 343 CG PHE A 23 4.373 10.208 2.298 1.00 0.00 C ATOM 344 CD1 PHE A 23 4.588 8.856 1.971 1.00 0.00 C ATOM 345 CD2 PHE A 23 3.281 10.883 1.725 1.00 0.00 C ATOM 346 CE1 PHE A 23 3.812 8.225 0.989 1.00 0.00 C ATOM 347 CE2 PHE A 23 2.506 10.264 0.734 1.00 0.00 C ATOM 348 CZ PHE A 23 2.800 8.948 0.347 1.00 0.00 C ATOM 0 H PHE A 23 6.056 12.667 1.528 1.00 0.00 H new ATOM 0 HA PHE A 23 7.198 11.561 3.827 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.301 10.314 4.198 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.811 11.864 3.543 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.359 8.299 2.482 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.038 11.884 2.050 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.993 7.192 0.731 1.00 0.00 H new ATOM 0 HE2 PHE A 23 1.688 10.797 0.272 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.240 8.488 -0.454 1.00 0.00 H new ATOM 358 N LYS A 24 8.121 9.283 3.371 1.00 0.00 N ATOM 359 CA LYS A 24 8.628 7.936 3.208 1.00 0.00 C ATOM 360 C LYS A 24 7.593 7.002 3.807 1.00 0.00 C ATOM 361 O LYS A 24 6.845 7.382 4.714 1.00 0.00 O ATOM 362 CB LYS A 24 9.963 7.853 3.949 1.00 0.00 C ATOM 363 CG LYS A 24 10.693 6.512 3.866 1.00 0.00 C ATOM 364 CD LYS A 24 11.978 6.562 4.684 1.00 0.00 C ATOM 365 CE LYS A 24 12.644 5.188 4.798 1.00 0.00 C ATOM 366 NZ LYS A 24 13.586 4.859 3.713 1.00 0.00 N ATOM 0 H LYS A 24 8.299 9.670 4.298 1.00 0.00 H new ATOM 0 HA LYS A 24 8.795 7.663 2.166 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.622 8.628 3.557 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.788 8.084 5.000 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.048 5.715 4.236 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.924 6.279 2.827 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.673 7.264 4.223 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.757 6.941 5.682 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.176 5.137 5.748 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.866 4.425 4.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.634 3.827 3.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.260 5.294 2.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 14.530 5.224 3.950 1.00 0.00 H new ATOM 380 N LEU A 25 7.628 5.754 3.365 1.00 0.00 N ATOM 381 CA LEU A 25 7.022 4.650 4.094 1.00 0.00 C ATOM 382 C LEU A 25 8.098 3.645 4.483 1.00 0.00 C ATOM 383 O LEU A 25 9.140 3.536 3.828 1.00 0.00 O ATOM 384 CB LEU A 25 5.798 4.051 3.365 1.00 0.00 C ATOM 385 CG LEU A 25 5.848 3.894 1.835 1.00 0.00 C ATOM 386 CD1 LEU A 25 6.931 2.935 1.349 1.00 0.00 C ATOM 387 CD2 LEU A 25 4.491 3.381 1.345 1.00 0.00 C ATOM 0 H LEU A 25 8.077 5.478 2.492 1.00 0.00 H new ATOM 0 HA LEU A 25 6.593 5.024 5.023 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.610 3.066 3.792 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.935 4.672 3.605 1.00 0.00 H new ATOM 0 HG LEU A 25 6.087 4.877 1.429 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.904 2.877 0.261 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.908 3.297 1.669 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.756 1.945 1.770 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.515 3.266 0.261 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.278 2.417 1.807 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.713 4.094 1.617 1.00 0.00 H new ATOM 399 N THR A 26 7.855 2.933 5.575 1.00 0.00 N ATOM 400 CA THR A 26 8.723 1.931 6.169 1.00 0.00 C ATOM 401 C THR A 26 7.890 0.653 6.330 1.00 0.00 C ATOM 402 O THR A 26 6.683 0.660 6.059 1.00 0.00 O ATOM 403 CB THR A 26 9.312 2.460 7.494 1.00 0.00 C ATOM 404 OG1 THR A 26 8.379 2.409 8.549 1.00 0.00 O ATOM 405 CG2 THR A 26 9.852 3.894 7.405 1.00 0.00 C ATOM 0 H THR A 26 6.989 3.049 6.102 1.00 0.00 H new ATOM 0 HA THR A 26 9.584 1.705 5.540 1.00 0.00 H new ATOM 0 HB THR A 26 10.147 1.790 7.697 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.819 2.660 9.388 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.249 4.194 8.375 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.645 3.938 6.659 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.046 4.569 7.118 1.00 0.00 H new ATOM 413 N CYS A 27 8.495 -0.462 6.736 1.00 0.00 N ATOM 414 CA CYS A 27 7.807 -1.675 7.164 1.00 0.00 C ATOM 415 C CYS A 27 8.855 -2.558 7.843 1.00 0.00 C ATOM 416 O CYS A 27 10.056 -2.295 7.743 1.00 0.00 O ATOM 417 CB CYS A 27 7.180 -2.380 5.946 1.00 0.00 C ATOM 418 SG CYS A 27 5.996 -3.686 6.392 1.00 0.00 S ATOM 0 H CYS A 27 9.511 -0.547 6.777 1.00 0.00 H new ATOM 0 HA CYS A 27 6.995 -1.455 7.857 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.674 -1.638 5.328 1.00 0.00 H new ATOM 0 HB3 CYS A 27 7.975 -2.813 5.338 1.00 0.00 H new ATOM 0 HG CYS A 27 6.111 -4.678 5.560 1.00 0.00 H new ATOM 424 N SER A 28 8.412 -3.641 8.479 1.00 0.00 N ATOM 425 CA SER A 28 9.262 -4.705 8.999 1.00 0.00 C ATOM 426 C SER A 28 10.275 -5.169 7.943 1.00 0.00 C ATOM 427 O SER A 28 11.485 -5.143 8.173 1.00 0.00 O ATOM 428 CB SER A 28 8.359 -5.840 9.503 1.00 0.00 C ATOM 429 OG SER A 28 7.316 -6.113 8.574 1.00 0.00 O ATOM 0 H SER A 28 7.420 -3.805 8.651 1.00 0.00 H new ATOM 0 HA SER A 28 9.859 -4.341 9.835 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.954 -6.739 9.662 1.00 0.00 H new ATOM 0 HB3 SER A 28 7.930 -5.567 10.467 1.00 0.00 H new ATOM 0 HG SER A 28 6.755 -6.840 8.916 1.00 0.00 H new ATOM 435 N ASN A 29 9.783 -5.560 6.765 1.00 0.00 N ATOM 436 CA ASN A 29 10.611 -5.913 5.619 1.00 0.00 C ATOM 437 C ASN A 29 11.056 -4.625 4.947 1.00 0.00 C ATOM 438 O ASN A 29 10.223 -3.933 4.355 1.00 0.00 O ATOM 439 CB ASN A 29 9.834 -6.794 4.619 1.00 0.00 C ATOM 440 CG ASN A 29 10.602 -8.030 4.165 1.00 0.00 C ATOM 441 OD1 ASN A 29 11.572 -8.471 4.768 1.00 0.00 O ATOM 442 ND2 ASN A 29 10.169 -8.636 3.080 1.00 0.00 N ATOM 0 H ASN A 29 8.783 -5.640 6.582 1.00 0.00 H new ATOM 0 HA ASN A 29 11.474 -6.488 5.956 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.896 -7.108 5.078 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.577 -6.196 3.745 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.642 -9.474 2.741 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.361 -8.268 2.578 1.00 0.00 H new ATOM 449 N THR A 30 12.345 -4.302 5.007 1.00 0.00 N ATOM 450 CA THR A 30 12.880 -3.132 4.326 1.00 0.00 C ATOM 451 C THR A 30 12.606 -3.212 2.826 1.00 0.00 C ATOM 452 O THR A 30 12.135 -2.229 2.259 1.00 0.00 O ATOM 453 CB THR A 30 14.374 -2.975 4.626 1.00 0.00 C ATOM 454 OG1 THR A 30 15.048 -4.216 4.541 1.00 0.00 O ATOM 455 CG2 THR A 30 14.572 -2.391 6.024 1.00 0.00 C ATOM 0 H THR A 30 13.040 -4.840 5.524 1.00 0.00 H new ATOM 0 HA THR A 30 12.375 -2.243 4.702 1.00 0.00 H new ATOM 0 HB THR A 30 14.792 -2.299 3.880 1.00 0.00 H new ATOM 0 HG1 THR A 30 16.000 -4.085 4.735 1.00 0.00 H new ATOM 0 HG21 THR A 30 15.638 -2.284 6.226 1.00 0.00 H new ATOM 0 HG22 THR A 30 14.092 -1.414 6.082 1.00 0.00 H new ATOM 0 HG23 THR A 30 14.128 -3.058 6.763 1.00 0.00 H new ATOM 463 N LYS A 31 12.804 -4.386 2.203 1.00 0.00 N ATOM 464 CA LYS A 31 12.542 -4.606 0.779 1.00 0.00 C ATOM 465 C LYS A 31 11.188 -4.065 0.380 1.00 0.00 C ATOM 466 O LYS A 31 11.114 -3.390 -0.635 1.00 0.00 O ATOM 467 CB LYS A 31 12.599 -6.102 0.435 1.00 0.00 C ATOM 468 CG LYS A 31 12.140 -6.469 -0.997 1.00 0.00 C ATOM 469 CD LYS A 31 12.988 -5.852 -2.118 1.00 0.00 C ATOM 470 CE LYS A 31 14.431 -6.368 -2.095 1.00 0.00 C ATOM 471 NZ LYS A 31 15.219 -5.851 -3.232 1.00 0.00 N ATOM 0 H LYS A 31 13.154 -5.215 2.683 1.00 0.00 H new ATOM 0 HA LYS A 31 13.317 -4.075 0.227 1.00 0.00 H new ATOM 0 HB2 LYS A 31 13.623 -6.451 0.571 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.979 -6.646 1.148 1.00 0.00 H new ATOM 0 HG2 LYS A 31 12.156 -7.554 -1.103 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.105 -6.151 -1.125 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.536 -6.081 -3.083 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.989 -4.767 -2.017 1.00 0.00 H new ATOM 0 HE2 LYS A 31 14.907 -6.073 -1.160 1.00 0.00 H new ATOM 0 HE3 LYS A 31 14.427 -7.458 -2.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 16.189 -6.223 -3.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.780 -6.153 -4.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 15.244 -4.812 -3.193 1.00 0.00 H new ATOM 485 N PHE A 32 10.137 -4.397 1.135 1.00 0.00 N ATOM 486 CA PHE A 32 8.777 -4.015 0.799 1.00 0.00 C ATOM 487 C PHE A 32 8.720 -2.508 0.638 1.00 0.00 C ATOM 488 O PHE A 32 8.414 -1.997 -0.436 1.00 0.00 O ATOM 489 CB PHE A 32 7.819 -4.460 1.910 1.00 0.00 C ATOM 490 CG PHE A 32 6.368 -4.370 1.496 1.00 0.00 C ATOM 491 CD1 PHE A 32 5.871 -5.320 0.593 1.00 0.00 C ATOM 492 CD2 PHE A 32 5.526 -3.342 1.954 1.00 0.00 C ATOM 493 CE1 PHE A 32 4.547 -5.264 0.140 1.00 0.00 C ATOM 494 CE2 PHE A 32 4.195 -3.286 1.501 1.00 0.00 C ATOM 495 CZ PHE A 32 3.702 -4.247 0.598 1.00 0.00 C ATOM 0 H PHE A 32 10.213 -4.939 1.996 1.00 0.00 H new ATOM 0 HA PHE A 32 8.477 -4.497 -0.131 1.00 0.00 H new ATOM 0 HB2 PHE A 32 8.049 -5.487 2.194 1.00 0.00 H new ATOM 0 HB3 PHE A 32 7.980 -3.842 2.793 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.520 -6.108 0.241 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.897 -2.602 2.647 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.180 -6.001 -0.559 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.545 -2.497 1.850 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.677 -4.200 0.261 1.00 0.00 H new ATOM 505 N ALA A 33 9.070 -1.823 1.723 1.00 0.00 N ATOM 506 CA ALA A 33 8.976 -0.386 1.807 1.00 0.00 C ATOM 507 C ALA A 33 9.866 0.292 0.771 1.00 0.00 C ATOM 508 O ALA A 33 9.508 1.347 0.258 1.00 0.00 O ATOM 509 CB ALA A 33 9.366 0.023 3.222 1.00 0.00 C ATOM 0 H ALA A 33 9.429 -2.262 2.571 1.00 0.00 H new ATOM 0 HA ALA A 33 7.956 -0.067 1.592 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.305 1.107 3.317 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.687 -0.443 3.936 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.386 -0.302 3.427 1.00 0.00 H new ATOM 515 N ASP A 34 11.026 -0.290 0.473 1.00 0.00 N ATOM 516 CA ASP A 34 11.969 0.300 -0.473 1.00 0.00 C ATOM 517 C ASP A 34 11.496 0.115 -1.907 1.00 0.00 C ATOM 518 O ASP A 34 11.576 1.052 -2.692 1.00 0.00 O ATOM 519 CB ASP A 34 13.393 -0.240 -0.298 1.00 0.00 C ATOM 520 CG ASP A 34 14.332 0.930 -0.019 1.00 0.00 C ATOM 521 OD1 ASP A 34 14.506 1.303 1.167 1.00 0.00 O ATOM 522 OD2 ASP A 34 14.927 1.499 -0.961 1.00 0.00 O ATOM 0 H ASP A 34 11.336 -1.174 0.876 1.00 0.00 H new ATOM 0 HA ASP A 34 12.003 1.367 -0.253 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.427 -0.955 0.524 1.00 0.00 H new ATOM 0 HB3 ASP A 34 13.708 -0.771 -1.196 1.00 0.00 H new ATOM 527 N ASP A 35 10.963 -1.062 -2.247 1.00 0.00 N ATOM 528 CA ASP A 35 10.378 -1.338 -3.558 1.00 0.00 C ATOM 529 C ASP A 35 9.190 -0.417 -3.813 1.00 0.00 C ATOM 530 O ASP A 35 9.023 0.039 -4.945 1.00 0.00 O ATOM 531 CB ASP A 35 9.955 -2.810 -3.721 1.00 0.00 C ATOM 532 CG ASP A 35 10.840 -3.602 -4.687 1.00 0.00 C ATOM 533 OD1 ASP A 35 12.080 -3.415 -4.725 1.00 0.00 O ATOM 534 OD2 ASP A 35 10.287 -4.401 -5.484 1.00 0.00 O ATOM 0 H ASP A 35 10.926 -1.858 -1.610 1.00 0.00 H new ATOM 0 HA ASP A 35 11.154 -1.145 -4.299 1.00 0.00 H new ATOM 0 HB2 ASP A 35 9.974 -3.294 -2.745 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.924 -2.846 -4.074 1.00 0.00 H new ATOM 539 N LEU A 36 8.388 -0.124 -2.786 1.00 0.00 N ATOM 540 CA LEU A 36 7.300 0.846 -2.868 1.00 0.00 C ATOM 541 C LEU A 36 7.858 2.252 -3.069 1.00 0.00 C ATOM 542 O LEU A 36 7.437 2.956 -3.990 1.00 0.00 O ATOM 543 CB LEU A 36 6.439 0.823 -1.594 1.00 0.00 C ATOM 544 CG LEU A 36 5.576 -0.426 -1.363 1.00 0.00 C ATOM 545 CD1 LEU A 36 4.659 -0.187 -0.157 1.00 0.00 C ATOM 546 CD2 LEU A 36 4.732 -0.806 -2.575 1.00 0.00 C ATOM 0 H LEU A 36 8.479 -0.559 -1.868 1.00 0.00 H new ATOM 0 HA LEU A 36 6.677 0.572 -3.719 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.100 0.943 -0.735 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.781 1.692 -1.613 1.00 0.00 H new ATOM 0 HG LEU A 36 6.257 -1.257 -1.180 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.043 -1.070 0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.265 0.008 0.728 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.016 0.671 -0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.146 -1.696 -2.346 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.061 0.016 -2.823 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.385 -1.010 -3.424 1.00 0.00 H new ATOM 558 N ASN A 37 8.807 2.665 -2.225 1.00 0.00 N ATOM 559 CA ASN A 37 9.426 3.984 -2.284 1.00 0.00 C ATOM 560 C ASN A 37 10.080 4.233 -3.649 1.00 0.00 C ATOM 561 O ASN A 37 10.086 5.370 -4.123 1.00 0.00 O ATOM 562 CB ASN A 37 10.459 4.123 -1.158 1.00 0.00 C ATOM 563 CG ASN A 37 9.878 4.606 0.173 1.00 0.00 C ATOM 564 OD1 ASN A 37 8.903 5.352 0.248 1.00 0.00 O ATOM 565 ND2 ASN A 37 10.477 4.200 1.278 1.00 0.00 N ATOM 0 H ASN A 37 9.170 2.081 -1.472 1.00 0.00 H new ATOM 0 HA ASN A 37 8.648 4.735 -2.151 1.00 0.00 H new ATOM 0 HB2 ASN A 37 10.941 3.158 -1.002 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.235 4.819 -1.476 1.00 0.00 H new ATOM 0 HD21 ASN A 37 10.131 4.505 2.188 1.00 0.00 H new ATOM 0 HD22 ASN A 37 11.286 3.581 1.222 1.00 0.00 H new ATOM 572 N GLN A 38 10.584 3.178 -4.297 1.00 0.00 N ATOM 573 CA GLN A 38 11.196 3.177 -5.607 1.00 0.00 C ATOM 574 C GLN A 38 10.160 3.549 -6.663 1.00 0.00 C ATOM 575 O GLN A 38 10.517 4.238 -7.618 1.00 0.00 O ATOM 576 CB GLN A 38 11.764 1.766 -5.871 1.00 0.00 C ATOM 577 CG GLN A 38 13.270 1.619 -5.635 1.00 0.00 C ATOM 578 CD GLN A 38 14.045 1.345 -6.923 1.00 0.00 C ATOM 579 OE1 GLN A 38 14.799 2.177 -7.427 1.00 0.00 O ATOM 580 NE2 GLN A 38 13.899 0.159 -7.488 1.00 0.00 N ATOM 0 H GLN A 38 10.569 2.246 -3.883 1.00 0.00 H new ATOM 0 HA GLN A 38 12.001 3.911 -5.654 1.00 0.00 H new ATOM 0 HB2 GLN A 38 11.240 1.055 -5.232 1.00 0.00 H new ATOM 0 HB3 GLN A 38 11.545 1.490 -6.902 1.00 0.00 H new ATOM 0 HG2 GLN A 38 13.652 2.529 -5.173 1.00 0.00 H new ATOM 0 HG3 GLN A 38 13.446 0.806 -4.930 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.274 -0.531 -7.071 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.411 -0.066 -8.341 1.00 0.00 H new ATOM 589 N MET A 39 8.900 3.117 -6.519 1.00 0.00 N ATOM 590 CA MET A 39 7.876 3.409 -7.494 1.00 0.00 C ATOM 591 C MET A 39 7.494 4.885 -7.427 1.00 0.00 C ATOM 592 O MET A 39 7.361 5.537 -8.460 1.00 0.00 O ATOM 593 CB MET A 39 6.649 2.540 -7.219 1.00 0.00 C ATOM 594 CG MET A 39 6.944 1.038 -7.296 1.00 0.00 C ATOM 595 SD MET A 39 5.791 0.028 -6.334 1.00 0.00 S ATOM 596 CE MET A 39 4.265 0.591 -7.103 1.00 0.00 C ATOM 0 H MET A 39 8.578 2.562 -5.726 1.00 0.00 H new ATOM 0 HA MET A 39 8.257 3.191 -8.492 1.00 0.00 H new ATOM 0 HB2 MET A 39 6.258 2.777 -6.229 1.00 0.00 H new ATOM 0 HB3 MET A 39 5.868 2.788 -7.938 1.00 0.00 H new ATOM 0 HG2 MET A 39 6.910 0.722 -8.339 1.00 0.00 H new ATOM 0 HG3 MET A 39 7.958 0.856 -6.941 1.00 0.00 H new ATOM 0 HE1 MET A 39 3.433 -0.017 -6.749 1.00 0.00 H new ATOM 0 HE2 MET A 39 4.089 1.634 -6.841 1.00 0.00 H new ATOM 0 HE3 MET A 39 4.347 0.498 -8.186 1.00 0.00 H new ATOM 606 N THR A 40 7.290 5.408 -6.217 1.00 0.00 N ATOM 607 CA THR A 40 6.802 6.767 -6.016 1.00 0.00 C ATOM 608 C THR A 40 7.932 7.809 -6.076 1.00 0.00 C ATOM 609 O THR A 40 7.629 9.003 -6.091 1.00 0.00 O ATOM 610 CB THR A 40 5.976 6.800 -4.719 1.00 0.00 C ATOM 611 OG1 THR A 40 5.191 7.969 -4.611 1.00 0.00 O ATOM 612 CG2 THR A 40 6.822 6.598 -3.461 1.00 0.00 C ATOM 0 H THR A 40 7.460 4.898 -5.350 1.00 0.00 H new ATOM 0 HA THR A 40 6.146 7.055 -6.837 1.00 0.00 H new ATOM 0 HB THR A 40 5.300 5.948 -4.789 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.466 8.476 -3.818 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.180 6.632 -2.581 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.320 5.630 -3.509 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.570 7.388 -3.395 1.00 0.00 H new ATOM 620 N GLY A 41 9.202 7.393 -6.140 1.00 0.00 N ATOM 621 CA GLY A 41 10.335 8.304 -6.212 1.00 0.00 C ATOM 622 C GLY A 41 10.579 9.020 -4.887 1.00 0.00 C ATOM 623 O GLY A 41 10.886 10.212 -4.879 1.00 0.00 O ATOM 0 H GLY A 41 9.467 6.408 -6.143 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.229 7.748 -6.494 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.158 9.041 -6.995 1.00 0.00 H new ATOM 627 N PHE A 42 10.421 8.319 -3.760 1.00 0.00 N ATOM 628 CA PHE A 42 10.800 8.845 -2.453 1.00 0.00 C ATOM 629 C PHE A 42 12.307 9.104 -2.432 1.00 0.00 C ATOM 630 O PHE A 42 13.087 8.219 -2.796 1.00 0.00 O ATOM 631 CB PHE A 42 10.419 7.852 -1.344 1.00 0.00 C ATOM 632 CG PHE A 42 11.228 8.045 -0.075 1.00 0.00 C ATOM 633 CD1 PHE A 42 11.127 9.243 0.660 1.00 0.00 C ATOM 634 CD2 PHE A 42 12.232 7.113 0.254 1.00 0.00 C ATOM 635 CE1 PHE A 42 12.069 9.525 1.658 1.00 0.00 C ATOM 636 CE2 PHE A 42 13.113 7.361 1.315 1.00 0.00 C ATOM 637 CZ PHE A 42 13.042 8.575 2.005 1.00 0.00 C ATOM 0 H PHE A 42 10.029 7.378 -3.732 1.00 0.00 H new ATOM 0 HA PHE A 42 10.267 9.779 -2.274 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.359 7.962 -1.113 1.00 0.00 H new ATOM 0 HB3 PHE A 42 10.562 6.835 -1.709 1.00 0.00 H new ATOM 0 HD1 PHE A 42 10.328 9.940 0.455 1.00 0.00 H new ATOM 0 HD2 PHE A 42 12.323 6.200 -0.316 1.00 0.00 H new ATOM 0 HE1 PHE A 42 12.046 10.479 2.163 1.00 0.00 H new ATOM 0 HE2 PHE A 42 13.844 6.618 1.599 1.00 0.00 H new ATOM 0 HZ PHE A 42 13.737 8.782 2.806 1.00 0.00 H new ATOM 647 N THR A 43 12.700 10.265 -1.910 1.00 0.00 N ATOM 648 CA THR A 43 14.073 10.641 -1.647 1.00 0.00 C ATOM 649 C THR A 43 14.096 11.434 -0.335 1.00 0.00 C ATOM 650 O THR A 43 13.109 12.052 0.067 1.00 0.00 O ATOM 651 CB THR A 43 14.566 11.393 -2.898 1.00 0.00 C ATOM 652 OG1 THR A 43 14.867 10.453 -3.912 1.00 0.00 O ATOM 653 CG2 THR A 43 15.801 12.259 -2.703 1.00 0.00 C ATOM 0 H THR A 43 12.036 10.995 -1.651 1.00 0.00 H new ATOM 0 HA THR A 43 14.759 9.808 -1.493 1.00 0.00 H new ATOM 0 HB THR A 43 13.750 12.068 -3.157 1.00 0.00 H new ATOM 0 HG1 THR A 43 14.497 9.579 -3.668 1.00 0.00 H new ATOM 0 HG21 THR A 43 16.060 12.741 -3.646 1.00 0.00 H new ATOM 0 HG22 THR A 43 15.596 13.020 -1.950 1.00 0.00 H new ATOM 0 HG23 THR A 43 16.633 11.637 -2.373 1.00 0.00 H new ATOM 661 N LYS A 44 15.209 11.350 0.399 1.00 0.00 N ATOM 662 CA LYS A 44 15.404 12.060 1.652 1.00 0.00 C ATOM 663 C LYS A 44 15.837 13.507 1.393 1.00 0.00 C ATOM 664 O LYS A 44 16.447 13.791 0.359 1.00 0.00 O ATOM 665 CB LYS A 44 16.431 11.300 2.514 1.00 0.00 C ATOM 666 CG LYS A 44 15.778 10.318 3.499 1.00 0.00 C ATOM 667 CD LYS A 44 16.299 10.434 4.934 1.00 0.00 C ATOM 668 CE LYS A 44 15.651 9.339 5.784 1.00 0.00 C ATOM 669 NZ LYS A 44 15.934 9.484 7.223 1.00 0.00 N ATOM 0 H LYS A 44 16.008 10.776 0.129 1.00 0.00 H new ATOM 0 HA LYS A 44 14.462 12.103 2.198 1.00 0.00 H new ATOM 0 HB2 LYS A 44 17.111 10.753 1.861 1.00 0.00 H new ATOM 0 HB3 LYS A 44 17.033 12.019 3.071 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.701 10.484 3.500 1.00 0.00 H new ATOM 0 HG3 LYS A 44 15.944 9.301 3.145 1.00 0.00 H new ATOM 0 HD2 LYS A 44 17.384 10.332 4.951 1.00 0.00 H new ATOM 0 HD3 LYS A 44 16.065 11.417 5.342 1.00 0.00 H new ATOM 0 HE2 LYS A 44 14.572 9.356 5.628 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.007 8.366 5.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 15.470 8.715 7.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.961 9.440 7.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.571 10.399 7.558 1.00 0.00 H new ATOM 683 N PRO A 45 15.630 14.392 2.380 1.00 0.00 N ATOM 684 CA PRO A 45 15.074 14.047 3.679 1.00 0.00 C ATOM 685 C PRO A 45 13.570 13.785 3.591 1.00 0.00 C ATOM 686 O PRO A 45 12.852 14.503 2.896 1.00 0.00 O ATOM 687 CB PRO A 45 15.351 15.246 4.570 1.00 0.00 C ATOM 688 CG PRO A 45 15.358 16.415 3.585 1.00 0.00 C ATOM 689 CD PRO A 45 15.977 15.801 2.329 1.00 0.00 C ATOM 0 HA PRO A 45 15.522 13.133 4.068 1.00 0.00 H new ATOM 0 HB2 PRO A 45 14.583 15.367 5.334 1.00 0.00 H new ATOM 0 HB3 PRO A 45 16.305 15.151 5.089 1.00 0.00 H new ATOM 0 HG2 PRO A 45 14.352 16.791 3.397 1.00 0.00 H new ATOM 0 HG3 PRO A 45 15.947 17.253 3.957 1.00 0.00 H new ATOM 0 HD2 PRO A 45 15.584 16.270 1.427 1.00 0.00 H new ATOM 0 HD3 PRO A 45 17.058 15.940 2.315 1.00 0.00 H new ATOM 697 N ALA A 46 13.085 12.723 4.247 1.00 0.00 N ATOM 698 CA ALA A 46 11.663 12.446 4.190 1.00 0.00 C ATOM 699 C ALA A 46 10.894 13.516 4.971 1.00 0.00 C ATOM 700 O ALA A 46 11.392 14.072 5.956 1.00 0.00 O ATOM 701 CB ALA A 46 11.350 11.045 4.721 1.00 0.00 C ATOM 0 H ALA A 46 13.639 12.070 4.801 1.00 0.00 H new ATOM 0 HA ALA A 46 11.344 12.476 3.148 1.00 0.00 H new ATOM 0 HB1 ALA A 46 10.276 10.866 4.666 1.00 0.00 H new ATOM 0 HB2 ALA A 46 11.873 10.302 4.118 1.00 0.00 H new ATOM 0 HB3 ALA A 46 11.678 10.967 5.758 1.00 0.00 H new ATOM 707 N SER A 47 9.656 13.766 4.563 1.00 0.00 N ATOM 708 CA SER A 47 8.717 14.634 5.255 1.00 0.00 C ATOM 709 C SER A 47 8.281 13.976 6.565 1.00 0.00 C ATOM 710 O SER A 47 8.232 14.622 7.608 1.00 0.00 O ATOM 711 CB SER A 47 7.516 14.884 4.332 1.00 0.00 C ATOM 712 OG SER A 47 6.720 15.945 4.801 1.00 0.00 O ATOM 0 H SER A 47 9.267 13.356 3.714 1.00 0.00 H new ATOM 0 HA SER A 47 9.183 15.589 5.499 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.869 15.109 3.326 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.914 13.978 4.263 1.00 0.00 H new ATOM 0 HG SER A 47 5.965 16.081 4.192 1.00 0.00 H new ATOM 718 N ARG A 48 7.942 12.688 6.510 1.00 0.00 N ATOM 719 CA ARG A 48 7.491 11.868 7.627 1.00 0.00 C ATOM 720 C ARG A 48 7.847 10.420 7.315 1.00 0.00 C ATOM 721 O ARG A 48 8.238 10.120 6.178 1.00 0.00 O ATOM 722 CB ARG A 48 5.989 12.066 7.879 1.00 0.00 C ATOM 723 CG ARG A 48 5.172 11.620 6.667 1.00 0.00 C ATOM 724 CD ARG A 48 3.778 11.158 7.037 1.00 0.00 C ATOM 725 NE ARG A 48 2.833 12.262 7.247 1.00 0.00 N ATOM 726 CZ ARG A 48 1.668 12.409 6.611 1.00 0.00 C ATOM 727 NH1 ARG A 48 1.433 11.794 5.456 1.00 0.00 N ATOM 728 NH2 ARG A 48 0.736 13.180 7.147 1.00 0.00 N ATOM 0 H ARG A 48 7.978 12.163 5.636 1.00 0.00 H new ATOM 0 HA ARG A 48 7.988 12.164 8.551 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.685 11.497 8.758 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.787 13.115 8.093 1.00 0.00 H new ATOM 0 HG2 ARG A 48 5.100 12.446 5.959 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.696 10.810 6.160 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.397 10.509 6.248 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.832 10.558 7.945 1.00 0.00 H new ATOM 0 HE ARG A 48 3.086 12.973 7.933 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.149 11.198 5.041 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.537 11.918 4.985 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.913 13.652 8.034 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.159 13.302 6.673 1.00 0.00 H new ATOM 742 N GLU A 49 7.605 9.514 8.259 1.00 0.00 N ATOM 743 CA GLU A 49 7.774 8.085 8.065 1.00 0.00 C ATOM 744 C GLU A 49 6.470 7.382 8.440 1.00 0.00 C ATOM 745 O GLU A 49 6.144 7.209 9.617 1.00 0.00 O ATOM 746 CB GLU A 49 9.001 7.585 8.842 1.00 0.00 C ATOM 747 CG GLU A 49 10.280 8.020 8.113 1.00 0.00 C ATOM 748 CD GLU A 49 11.579 7.643 8.829 1.00 0.00 C ATOM 749 OE1 GLU A 49 12.091 6.517 8.624 1.00 0.00 O ATOM 750 OE2 GLU A 49 12.177 8.514 9.499 1.00 0.00 O ATOM 0 H GLU A 49 7.281 9.761 9.194 1.00 0.00 H new ATOM 0 HA GLU A 49 7.976 7.850 7.020 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.992 7.987 9.855 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.971 6.499 8.930 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.286 7.574 7.119 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.256 9.101 7.977 1.00 0.00 H new ATOM 757 N LEU A 50 5.697 7.012 7.417 1.00 0.00 N ATOM 758 CA LEU A 50 4.605 6.047 7.535 1.00 0.00 C ATOM 759 C LEU A 50 5.219 4.663 7.739 1.00 0.00 C ATOM 760 O LEU A 50 6.388 4.447 7.425 1.00 0.00 O ATOM 761 CB LEU A 50 3.761 6.018 6.245 1.00 0.00 C ATOM 762 CG LEU A 50 3.221 7.367 5.736 1.00 0.00 C ATOM 763 CD1 LEU A 50 2.577 7.164 4.361 1.00 0.00 C ATOM 764 CD2 LEU A 50 2.192 7.980 6.683 1.00 0.00 C ATOM 0 H LEU A 50 5.814 7.379 6.473 1.00 0.00 H new ATOM 0 HA LEU A 50 3.964 6.329 8.370 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.365 5.574 5.454 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.913 5.353 6.409 1.00 0.00 H new ATOM 0 HG LEU A 50 4.064 8.055 5.676 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.193 8.116 3.995 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.322 6.781 3.663 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.758 6.450 4.445 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.844 8.930 6.277 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.347 7.300 6.792 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.650 8.148 7.658 1.00 0.00 H new ATOM 776 N SER A 51 4.421 3.686 8.152 1.00 0.00 N ATOM 777 CA SER A 51 4.860 2.313 8.381 1.00 0.00 C ATOM 778 C SER A 51 3.754 1.363 7.952 1.00 0.00 C ATOM 779 O SER A 51 2.606 1.576 8.345 1.00 0.00 O ATOM 780 CB SER A 51 5.188 2.139 9.866 1.00 0.00 C ATOM 781 OG SER A 51 6.284 2.950 10.260 1.00 0.00 O ATOM 0 H SER A 51 3.429 3.828 8.341 1.00 0.00 H new ATOM 0 HA SER A 51 5.754 2.091 7.798 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.313 2.394 10.464 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.418 1.093 10.068 1.00 0.00 H new ATOM 0 HG SER A 51 6.989 2.900 9.581 1.00 0.00 H new ATOM 787 N VAL A 52 4.069 0.357 7.131 1.00 0.00 N ATOM 788 CA VAL A 52 3.126 -0.689 6.767 1.00 0.00 C ATOM 789 C VAL A 52 3.199 -1.780 7.847 1.00 0.00 C ATOM 790 O VAL A 52 4.180 -1.878 8.587 1.00 0.00 O ATOM 791 CB VAL A 52 3.450 -1.178 5.340 1.00 0.00 C ATOM 792 CG1 VAL A 52 2.613 -2.391 4.903 1.00 0.00 C ATOM 793 CG2 VAL A 52 3.208 -0.066 4.307 1.00 0.00 C ATOM 0 H VAL A 52 4.988 0.250 6.702 1.00 0.00 H new ATOM 0 HA VAL A 52 2.094 -0.339 6.735 1.00 0.00 H new ATOM 0 HB VAL A 52 4.500 -1.467 5.376 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.893 -2.681 3.890 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.796 -3.223 5.582 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.555 -2.130 4.926 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.444 -0.438 3.310 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.163 0.241 4.341 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.845 0.788 4.536 1.00 0.00 H new ATOM 803 N THR A 53 2.157 -2.604 7.923 1.00 0.00 N ATOM 804 CA THR A 53 2.048 -3.793 8.759 1.00 0.00 C ATOM 805 C THR A 53 1.357 -4.867 7.902 1.00 0.00 C ATOM 806 O THR A 53 0.679 -4.527 6.928 1.00 0.00 O ATOM 807 CB THR A 53 1.259 -3.458 10.041 1.00 0.00 C ATOM 808 OG1 THR A 53 0.226 -2.536 9.745 1.00 0.00 O ATOM 809 CG2 THR A 53 2.127 -2.812 11.131 1.00 0.00 C ATOM 0 H THR A 53 1.316 -2.448 7.368 1.00 0.00 H new ATOM 0 HA THR A 53 3.020 -4.160 9.088 1.00 0.00 H new ATOM 0 HB THR A 53 0.873 -4.409 10.409 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.510 -1.634 10.001 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.514 -2.601 12.007 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.931 -3.494 11.407 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.553 -1.882 10.753 1.00 0.00 H new ATOM 817 N PHE A 54 1.524 -6.150 8.232 1.00 0.00 N ATOM 818 CA PHE A 54 1.059 -7.273 7.422 1.00 0.00 C ATOM 819 C PHE A 54 0.016 -8.055 8.207 1.00 0.00 C ATOM 820 O PHE A 54 0.364 -8.596 9.256 1.00 0.00 O ATOM 821 CB PHE A 54 2.249 -8.177 7.068 1.00 0.00 C ATOM 822 CG PHE A 54 3.317 -7.540 6.201 1.00 0.00 C ATOM 823 CD1 PHE A 54 2.970 -6.979 4.962 1.00 0.00 C ATOM 824 CD2 PHE A 54 4.664 -7.536 6.608 1.00 0.00 C ATOM 825 CE1 PHE A 54 3.957 -6.445 4.120 1.00 0.00 C ATOM 826 CE2 PHE A 54 5.652 -7.003 5.764 1.00 0.00 C ATOM 827 CZ PHE A 54 5.299 -6.454 4.519 1.00 0.00 C ATOM 0 H PHE A 54 1.996 -6.441 9.088 1.00 0.00 H new ATOM 0 HA PHE A 54 0.611 -6.906 6.499 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.713 -8.517 7.994 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.871 -9.062 6.557 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.935 -6.958 4.654 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.938 -7.943 7.570 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.681 -6.027 3.163 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.687 -7.015 6.073 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.060 -6.041 3.873 1.00 0.00 H new ATOM 837 N PHE A 55 -1.234 -8.121 7.731 1.00 0.00 N ATOM 838 CA PHE A 55 -2.322 -8.677 8.524 1.00 0.00 C ATOM 839 C PHE A 55 -1.993 -10.116 8.970 1.00 0.00 C ATOM 840 O PHE A 55 -1.444 -10.866 8.151 1.00 0.00 O ATOM 841 CB PHE A 55 -3.605 -8.705 7.665 1.00 0.00 C ATOM 842 CG PHE A 55 -4.822 -8.009 8.242 1.00 0.00 C ATOM 843 CD1 PHE A 55 -4.818 -6.616 8.435 1.00 0.00 C ATOM 844 CD2 PHE A 55 -5.993 -8.742 8.516 1.00 0.00 C ATOM 845 CE1 PHE A 55 -5.983 -5.956 8.853 1.00 0.00 C ATOM 846 CE2 PHE A 55 -7.152 -8.080 8.955 1.00 0.00 C ATOM 847 CZ PHE A 55 -7.155 -6.684 9.094 1.00 0.00 C ATOM 0 H PHE A 55 -1.510 -7.796 6.804 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.463 -8.056 9.409 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.379 -8.252 6.700 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.866 -9.746 7.475 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -3.914 -6.052 8.261 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -6.000 -9.814 8.388 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -5.976 -4.885 8.989 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -8.042 -8.647 9.186 1.00 0.00 H new ATOM 0 HZ PHE A 55 -8.060 -6.172 9.386 1.00 0.00 H new ATOM 857 N PRO A 56 -2.537 -10.587 10.105 1.00 0.00 N ATOM 858 CA PRO A 56 -3.078 -9.761 11.173 1.00 0.00 C ATOM 859 C PRO A 56 -1.965 -9.002 11.919 1.00 0.00 C ATOM 860 O PRO A 56 -1.159 -9.573 12.663 1.00 0.00 O ATOM 861 CB PRO A 56 -3.826 -10.734 12.084 1.00 0.00 C ATOM 862 CG PRO A 56 -3.025 -12.027 11.942 1.00 0.00 C ATOM 863 CD PRO A 56 -2.566 -11.991 10.489 1.00 0.00 C ATOM 0 HA PRO A 56 -3.740 -8.982 10.794 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -3.847 -10.384 13.116 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.862 -10.865 11.770 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.181 -12.056 12.631 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.636 -12.905 12.150 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.581 -12.444 10.381 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.247 -12.555 9.852 1.00 0.00 H new ATOM 871 N ASP A 57 -1.921 -7.697 11.683 1.00 0.00 N ATOM 872 CA ASP A 57 -1.088 -6.662 12.264 1.00 0.00 C ATOM 873 C ASP A 57 -1.601 -5.401 11.588 1.00 0.00 C ATOM 874 O ASP A 57 -1.665 -5.368 10.354 1.00 0.00 O ATOM 875 CB ASP A 57 0.392 -6.858 11.923 1.00 0.00 C ATOM 876 CG ASP A 57 1.306 -5.814 12.550 1.00 0.00 C ATOM 877 OD1 ASP A 57 0.834 -4.832 13.151 1.00 0.00 O ATOM 878 OD2 ASP A 57 2.536 -5.995 12.412 1.00 0.00 O ATOM 0 H ASP A 57 -2.551 -7.293 10.990 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.144 -6.650 13.353 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.704 -7.848 12.255 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.513 -6.831 10.840 1.00 0.00 H new ATOM 883 N LEU A 58 -2.057 -4.419 12.357 1.00 0.00 N ATOM 884 CA LEU A 58 -2.549 -3.153 11.856 1.00 0.00 C ATOM 885 C LEU A 58 -2.217 -2.085 12.895 1.00 0.00 C ATOM 886 O LEU A 58 -3.098 -1.398 13.412 1.00 0.00 O ATOM 887 CB LEU A 58 -4.047 -3.257 11.531 1.00 0.00 C ATOM 888 CG LEU A 58 -4.942 -3.785 12.673 1.00 0.00 C ATOM 889 CD1 LEU A 58 -6.177 -2.909 12.824 1.00 0.00 C ATOM 890 CD2 LEU A 58 -5.382 -5.228 12.411 1.00 0.00 C ATOM 0 H LEU A 58 -2.093 -4.489 13.374 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.068 -2.874 10.918 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.406 -2.270 11.238 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.169 -3.910 10.667 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.355 -3.757 13.591 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.799 -3.293 13.633 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.873 -1.888 13.054 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.745 -2.918 11.894 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.011 -5.571 13.232 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.946 -5.273 11.479 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.503 -5.868 12.335 1.00 0.00 H new ATOM 902 N ASN A 59 -0.929 -1.955 13.215 1.00 0.00 N ATOM 903 CA ASN A 59 -0.398 -1.092 14.241 1.00 0.00 C ATOM 904 C ASN A 59 0.339 0.127 13.661 1.00 0.00 C ATOM 905 O ASN A 59 0.578 1.095 14.381 1.00 0.00 O ATOM 906 CB ASN A 59 0.494 -2.023 15.079 1.00 0.00 C ATOM 907 CG ASN A 59 1.741 -1.351 15.572 1.00 0.00 C ATOM 908 OD1 ASN A 59 1.844 -0.906 16.715 1.00 0.00 O ATOM 909 ND2 ASN A 59 2.709 -1.313 14.679 1.00 0.00 N ATOM 0 H ASN A 59 -0.200 -2.481 12.734 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.174 -0.630 14.851 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.075 -2.392 15.932 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.768 -2.891 14.480 1.00 0.00 H new ATOM 0 HD21 ASN A 59 3.609 -0.897 14.919 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.559 -1.700 13.747 1.00 0.00 H new ATOM 916 N GLY A 60 0.703 0.078 12.382 1.00 0.00 N ATOM 917 CA GLY A 60 1.412 1.074 11.591 1.00 0.00 C ATOM 918 C GLY A 60 0.552 2.280 11.245 1.00 0.00 C ATOM 919 O GLY A 60 -0.450 2.580 11.894 1.00 0.00 O ATOM 0 H GLY A 60 0.485 -0.745 11.820 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.292 1.408 12.141 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.768 0.612 10.670 1.00 0.00 H new ATOM 923 N ASP A 61 0.979 2.990 10.210 1.00 0.00 N ATOM 924 CA ASP A 61 0.244 4.086 9.577 1.00 0.00 C ATOM 925 C ASP A 61 -0.520 3.563 8.356 1.00 0.00 C ATOM 926 O ASP A 61 -1.480 4.172 7.886 1.00 0.00 O ATOM 927 CB ASP A 61 1.258 5.152 9.123 1.00 0.00 C ATOM 928 CG ASP A 61 0.799 6.579 9.413 1.00 0.00 C ATOM 929 OD1 ASP A 61 -0.241 6.999 8.859 1.00 0.00 O ATOM 930 OD2 ASP A 61 1.549 7.293 10.118 1.00 0.00 O ATOM 0 H ASP A 61 1.881 2.815 9.768 1.00 0.00 H new ATOM 0 HA ASP A 61 -0.467 4.513 10.285 1.00 0.00 H new ATOM 0 HB2 ASP A 61 2.210 4.975 9.623 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.435 5.044 8.053 1.00 0.00 H new ATOM 935 N VAL A 62 -0.103 2.411 7.833 1.00 0.00 N ATOM 936 CA VAL A 62 -0.652 1.752 6.651 1.00 0.00 C ATOM 937 C VAL A 62 -0.704 0.265 6.981 1.00 0.00 C ATOM 938 O VAL A 62 -0.009 -0.213 7.885 1.00 0.00 O ATOM 939 CB VAL A 62 0.216 2.082 5.407 1.00 0.00 C ATOM 940 CG1 VAL A 62 -0.233 1.365 4.114 1.00 0.00 C ATOM 941 CG2 VAL A 62 0.271 3.592 5.113 1.00 0.00 C ATOM 0 H VAL A 62 0.668 1.885 8.245 1.00 0.00 H new ATOM 0 HA VAL A 62 -1.655 2.099 6.401 1.00 0.00 H new ATOM 0 HB VAL A 62 1.204 1.713 5.682 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.425 1.650 3.293 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.184 0.286 4.261 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.257 1.653 3.875 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.890 3.769 4.234 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.737 3.964 4.928 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.698 4.114 5.969 1.00 0.00 H new ATOM 951 N VAL A 63 -1.546 -0.477 6.278 1.00 0.00 N ATOM 952 CA VAL A 63 -1.783 -1.886 6.526 1.00 0.00 C ATOM 953 C VAL A 63 -1.644 -2.607 5.178 1.00 0.00 C ATOM 954 O VAL A 63 -1.568 -1.951 4.139 1.00 0.00 O ATOM 955 CB VAL A 63 -3.174 -2.060 7.182 1.00 0.00 C ATOM 956 CG1 VAL A 63 -3.188 -3.374 7.973 1.00 0.00 C ATOM 957 CG2 VAL A 63 -3.623 -0.971 8.181 1.00 0.00 C ATOM 0 H VAL A 63 -2.094 -0.105 5.502 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.065 -2.320 7.222 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.860 -2.015 6.336 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -4.164 -3.507 8.440 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.992 -4.207 7.298 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.418 -3.343 8.744 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.613 -1.216 8.565 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.915 -0.922 9.008 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.658 -0.006 7.676 1.00 0.00 H new ATOM 967 N ALA A 64 -1.594 -3.939 5.171 1.00 0.00 N ATOM 968 CA ALA A 64 -1.529 -4.765 3.973 1.00 0.00 C ATOM 969 C ALA A 64 -2.543 -5.904 4.090 1.00 0.00 C ATOM 970 O ALA A 64 -3.036 -6.167 5.192 1.00 0.00 O ATOM 971 CB ALA A 64 -0.106 -5.309 3.815 1.00 0.00 C ATOM 0 H ALA A 64 -1.598 -4.488 6.031 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.775 -4.174 3.091 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.051 -5.928 2.920 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.593 -4.478 3.725 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.153 -5.909 4.688 1.00 0.00 H new ATOM 977 N ILE A 65 -2.840 -6.572 2.972 1.00 0.00 N ATOM 978 CA ILE A 65 -3.745 -7.709 2.842 1.00 0.00 C ATOM 979 C ILE A 65 -3.133 -8.701 1.840 1.00 0.00 C ATOM 980 O ILE A 65 -2.348 -8.339 0.957 1.00 0.00 O ATOM 981 CB ILE A 65 -5.156 -7.225 2.417 1.00 0.00 C ATOM 982 CG1 ILE A 65 -5.828 -6.371 3.515 1.00 0.00 C ATOM 983 CG2 ILE A 65 -6.121 -8.360 2.027 1.00 0.00 C ATOM 984 CD1 ILE A 65 -6.336 -7.192 4.719 1.00 0.00 C ATOM 0 H ILE A 65 -2.425 -6.313 2.077 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.869 -8.218 3.798 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.971 -6.622 1.528 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.116 -5.626 3.870 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.666 -5.828 3.078 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -7.085 -7.937 1.743 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.707 -8.917 1.186 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.255 -9.031 2.875 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.795 -6.524 5.447 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -7.073 -7.919 4.379 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.499 -7.714 5.183 1.00 0.00 H new ATOM 996 N ASP A 66 -3.490 -9.972 1.986 1.00 0.00 N ATOM 997 CA ASP A 66 -3.072 -11.100 1.176 1.00 0.00 C ATOM 998 C ASP A 66 -3.767 -11.135 -0.183 1.00 0.00 C ATOM 999 O ASP A 66 -4.980 -11.030 -0.285 1.00 0.00 O ATOM 1000 CB ASP A 66 -3.364 -12.391 1.942 1.00 0.00 C ATOM 1001 CG ASP A 66 -4.837 -12.640 2.271 1.00 0.00 C ATOM 1002 OD1 ASP A 66 -5.351 -11.974 3.196 1.00 0.00 O ATOM 1003 OD2 ASP A 66 -5.414 -13.613 1.735 1.00 0.00 O ATOM 0 H ASP A 66 -4.127 -10.257 2.730 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.004 -10.998 0.982 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.993 -13.232 1.357 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.799 -12.376 2.874 1.00 0.00 H new ATOM 1008 N TYR A 67 -2.986 -11.340 -1.241 1.00 0.00 N ATOM 1009 CA TYR A 67 -3.355 -11.219 -2.655 1.00 0.00 C ATOM 1010 C TYR A 67 -4.505 -12.141 -3.077 1.00 0.00 C ATOM 1011 O TYR A 67 -5.192 -11.892 -4.065 1.00 0.00 O ATOM 1012 CB TYR A 67 -2.078 -11.449 -3.483 1.00 0.00 C ATOM 1013 CG TYR A 67 -2.289 -11.920 -4.900 1.00 0.00 C ATOM 1014 CD1 TYR A 67 -2.518 -13.287 -5.158 1.00 0.00 C ATOM 1015 CD2 TYR A 67 -2.275 -10.984 -5.947 1.00 0.00 C ATOM 1016 CE1 TYR A 67 -2.668 -13.726 -6.485 1.00 0.00 C ATOM 1017 CE2 TYR A 67 -2.454 -11.413 -7.269 1.00 0.00 C ATOM 1018 CZ TYR A 67 -2.613 -12.789 -7.542 1.00 0.00 C ATOM 1019 OH TYR A 67 -2.719 -13.183 -8.838 1.00 0.00 O ATOM 0 H TYR A 67 -2.010 -11.614 -1.128 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.752 -10.220 -2.836 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -1.513 -10.517 -3.510 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.459 -12.182 -2.965 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.578 -13.992 -4.342 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.127 -9.936 -5.734 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.824 -14.774 -6.696 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.470 -10.694 -8.075 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.660 -12.400 -9.424 1.00 0.00 H new ATOM 1029 N ARG A 68 -4.766 -13.182 -2.298 1.00 0.00 N ATOM 1030 CA ARG A 68 -5.908 -14.074 -2.432 1.00 0.00 C ATOM 1031 C ARG A 68 -7.227 -13.287 -2.348 1.00 0.00 C ATOM 1032 O ARG A 68 -8.260 -13.721 -2.860 1.00 0.00 O ATOM 1033 CB ARG A 68 -5.849 -15.066 -1.267 1.00 0.00 C ATOM 1034 CG ARG A 68 -4.503 -15.718 -0.901 1.00 0.00 C ATOM 1035 CD ARG A 68 -4.502 -17.213 -1.196 1.00 0.00 C ATOM 1036 NE ARG A 68 -3.288 -17.879 -0.687 1.00 0.00 N ATOM 1037 CZ ARG A 68 -3.229 -19.102 -0.144 1.00 0.00 C ATOM 1038 NH1 ARG A 68 -4.317 -19.863 -0.053 1.00 0.00 N ATOM 1039 NH2 ARG A 68 -2.064 -19.553 0.302 1.00 0.00 N ATOM 0 H ARG A 68 -4.159 -13.439 -1.520 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.872 -14.581 -3.396 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.216 -14.551 -0.379 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.554 -15.869 -1.484 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.701 -15.236 -1.461 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.296 -15.556 0.157 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.382 -17.671 -0.745 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.577 -17.370 -2.272 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.412 -17.360 -0.755 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.212 -19.517 -0.399 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.256 -20.792 0.363 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.230 -18.971 0.229 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -2.002 -20.482 0.718 1.00 0.00 H new ATOM 1053 N HIS A 69 -7.206 -12.141 -1.668 1.00 0.00 N ATOM 1054 CA HIS A 69 -8.315 -11.202 -1.551 1.00 0.00 C ATOM 1055 C HIS A 69 -8.412 -10.211 -2.723 1.00 0.00 C ATOM 1056 O HIS A 69 -9.359 -9.426 -2.749 1.00 0.00 O ATOM 1057 CB HIS A 69 -8.239 -10.461 -0.202 1.00 0.00 C ATOM 1058 CG HIS A 69 -9.156 -11.017 0.847 1.00 0.00 C ATOM 1059 ND1 HIS A 69 -9.187 -12.311 1.329 1.00 0.00 N ATOM 1060 CD2 HIS A 69 -10.154 -10.312 1.456 1.00 0.00 C ATOM 1061 CE1 HIS A 69 -10.201 -12.386 2.207 1.00 0.00 C ATOM 1062 NE2 HIS A 69 -10.820 -11.198 2.298 1.00 0.00 N ATOM 0 H HIS A 69 -6.377 -11.830 -1.162 1.00 0.00 H new ATOM 0 HA HIS A 69 -9.231 -11.792 -1.592 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.214 -10.501 0.167 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -8.480 -9.410 -0.361 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -8.557 -13.069 1.067 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -10.383 -9.266 1.312 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -10.478 -13.272 2.759 1.00 0.00 H new ATOM 1070 N TYR A 70 -7.482 -10.198 -3.686 1.00 0.00 N ATOM 1071 CA TYR A 70 -7.488 -9.240 -4.792 1.00 0.00 C ATOM 1072 C TYR A 70 -8.541 -9.639 -5.836 1.00 0.00 C ATOM 1073 O TYR A 70 -8.208 -10.094 -6.937 1.00 0.00 O ATOM 1074 CB TYR A 70 -6.075 -9.088 -5.392 1.00 0.00 C ATOM 1075 CG TYR A 70 -5.884 -8.063 -6.512 1.00 0.00 C ATOM 1076 CD1 TYR A 70 -6.868 -7.109 -6.852 1.00 0.00 C ATOM 1077 CD2 TYR A 70 -4.684 -8.092 -7.248 1.00 0.00 C ATOM 1078 CE1 TYR A 70 -6.665 -6.218 -7.922 1.00 0.00 C ATOM 1079 CE2 TYR A 70 -4.468 -7.203 -8.315 1.00 0.00 C ATOM 1080 CZ TYR A 70 -5.464 -6.267 -8.665 1.00 0.00 C ATOM 1081 OH TYR A 70 -5.276 -5.446 -9.735 1.00 0.00 O ATOM 0 H TYR A 70 -6.703 -10.855 -3.718 1.00 0.00 H new ATOM 0 HA TYR A 70 -7.770 -8.257 -4.415 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.393 -8.831 -4.582 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -5.766 -10.062 -5.772 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -7.786 -7.063 -6.285 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -3.918 -8.808 -6.989 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -7.427 -5.496 -8.176 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -3.540 -7.236 -8.867 1.00 0.00 H new ATOM 0 HH TYR A 70 -4.393 -5.615 -10.126 1.00 0.00 H new ATOM 1091 N SER A 71 -9.818 -9.433 -5.519 1.00 0.00 N ATOM 1092 CA SER A 71 -10.876 -9.435 -6.515 1.00 0.00 C ATOM 1093 C SER A 71 -10.846 -8.117 -7.286 1.00 0.00 C ATOM 1094 O SER A 71 -10.323 -7.097 -6.824 1.00 0.00 O ATOM 1095 CB SER A 71 -12.247 -9.673 -5.868 1.00 0.00 C ATOM 1096 OG SER A 71 -12.910 -10.724 -6.547 1.00 0.00 O ATOM 0 H SER A 71 -10.143 -9.261 -4.567 1.00 0.00 H new ATOM 0 HA SER A 71 -10.707 -10.256 -7.212 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.126 -9.925 -4.815 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.845 -8.763 -5.911 1.00 0.00 H new ATOM 0 HG SER A 71 -13.785 -10.879 -6.134 1.00 0.00 H new ATOM 1102 N ALA A 72 -11.451 -8.127 -8.468 1.00 0.00 N ATOM 1103 CA ALA A 72 -11.427 -7.012 -9.401 1.00 0.00 C ATOM 1104 C ALA A 72 -12.364 -5.864 -9.019 1.00 0.00 C ATOM 1105 O ALA A 72 -12.427 -4.878 -9.756 1.00 0.00 O ATOM 1106 CB ALA A 72 -11.714 -7.558 -10.787 1.00 0.00 C ATOM 0 H ALA A 72 -11.982 -8.928 -8.810 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.437 -6.556 -9.374 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -11.702 -6.742 -11.509 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -10.952 -8.290 -11.055 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.694 -8.035 -10.794 1.00 0.00 H new ATOM 1112 N SER A 73 -13.021 -5.929 -7.860 1.00 0.00 N ATOM 1113 CA SER A 73 -13.569 -4.767 -7.178 1.00 0.00 C ATOM 1114 C SER A 73 -12.444 -3.746 -6.952 1.00 0.00 C ATOM 1115 O SER A 73 -12.593 -2.552 -7.228 1.00 0.00 O ATOM 1116 CB SER A 73 -14.176 -5.221 -5.839 1.00 0.00 C ATOM 1117 OG SER A 73 -14.906 -6.424 -5.993 1.00 0.00 O ATOM 0 H SER A 73 -13.187 -6.806 -7.366 1.00 0.00 H new ATOM 0 HA SER A 73 -14.350 -4.298 -7.777 1.00 0.00 H new ATOM 0 HB2 SER A 73 -13.382 -5.365 -5.106 1.00 0.00 H new ATOM 0 HB3 SER A 73 -14.831 -4.441 -5.450 1.00 0.00 H new ATOM 0 HG SER A 73 -15.280 -6.693 -5.128 1.00 0.00 H new ATOM 1123 N PHE A 74 -11.281 -4.223 -6.499 1.00 0.00 N ATOM 1124 CA PHE A 74 -10.154 -3.438 -5.997 1.00 0.00 C ATOM 1125 C PHE A 74 -9.256 -2.928 -7.132 1.00 0.00 C ATOM 1126 O PHE A 74 -8.073 -2.635 -6.950 1.00 0.00 O ATOM 1127 CB PHE A 74 -9.428 -4.300 -4.961 1.00 0.00 C ATOM 1128 CG PHE A 74 -10.375 -4.890 -3.919 1.00 0.00 C ATOM 1129 CD1 PHE A 74 -11.288 -4.068 -3.218 1.00 0.00 C ATOM 1130 CD2 PHE A 74 -10.399 -6.283 -3.710 1.00 0.00 C ATOM 1131 CE1 PHE A 74 -12.173 -4.645 -2.286 1.00 0.00 C ATOM 1132 CE2 PHE A 74 -11.331 -6.853 -2.827 1.00 0.00 C ATOM 1133 CZ PHE A 74 -12.213 -6.034 -2.110 1.00 0.00 C ATOM 0 H PHE A 74 -11.092 -5.225 -6.472 1.00 0.00 H new ATOM 0 HA PHE A 74 -10.498 -2.524 -5.513 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -8.905 -5.109 -5.470 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.671 -3.697 -4.459 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -11.307 -3.003 -3.396 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.697 -6.916 -4.232 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -12.825 -4.012 -1.703 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -11.368 -7.925 -2.701 1.00 0.00 H new ATOM 0 HZ PHE A 74 -12.922 -6.473 -1.423 1.00 0.00 H new ATOM 1143 N LYS A 75 -9.802 -2.834 -8.346 1.00 0.00 N ATOM 1144 CA LYS A 75 -9.066 -2.636 -9.584 1.00 0.00 C ATOM 1145 C LYS A 75 -8.365 -1.274 -9.614 1.00 0.00 C ATOM 1146 O LYS A 75 -7.342 -1.146 -10.284 1.00 0.00 O ATOM 1147 CB LYS A 75 -10.057 -2.898 -10.742 1.00 0.00 C ATOM 1148 CG LYS A 75 -10.117 -1.891 -11.890 1.00 0.00 C ATOM 1149 CD LYS A 75 -9.270 -2.249 -13.111 1.00 0.00 C ATOM 1150 CE LYS A 75 -7.786 -2.555 -12.887 1.00 0.00 C ATOM 1151 NZ LYS A 75 -7.162 -3.046 -14.135 1.00 0.00 N ATOM 0 H LYS A 75 -10.809 -2.897 -8.493 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.237 -3.337 -9.684 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.820 -3.873 -11.168 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.056 -2.972 -10.313 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.155 -1.785 -12.206 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.796 -0.918 -11.517 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.722 -3.118 -13.589 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.338 -1.424 -13.820 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.271 -1.657 -12.546 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.678 -3.303 -12.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -6.156 -3.248 -13.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.642 -3.915 -14.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.248 -2.320 -14.875 1.00 0.00 H new ATOM 1165 N LYS A 76 -8.863 -0.265 -8.897 1.00 0.00 N ATOM 1166 CA LYS A 76 -8.246 1.059 -8.791 1.00 0.00 C ATOM 1167 C LYS A 76 -7.760 1.330 -7.350 1.00 0.00 C ATOM 1168 O LYS A 76 -7.501 2.478 -6.996 1.00 0.00 O ATOM 1169 CB LYS A 76 -9.200 2.127 -9.345 1.00 0.00 C ATOM 1170 CG LYS A 76 -9.463 1.958 -10.853 1.00 0.00 C ATOM 1171 CD LYS A 76 -9.992 3.248 -11.491 1.00 0.00 C ATOM 1172 CE LYS A 76 -10.342 3.033 -12.972 1.00 0.00 C ATOM 1173 NZ LYS A 76 -10.314 4.275 -13.779 1.00 0.00 N ATOM 0 H LYS A 76 -9.727 -0.347 -8.361 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.348 1.100 -9.407 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.147 2.078 -8.807 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -8.779 3.116 -9.161 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.541 1.659 -11.351 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.184 1.155 -11.008 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.876 3.588 -10.951 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.243 4.035 -11.402 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.642 2.316 -13.401 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.335 2.589 -13.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.560 4.054 -14.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.002 4.954 -13.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.361 4.690 -13.744 1.00 0.00 H new ATOM 1187 N GLY A 77 -7.587 0.292 -6.524 1.00 0.00 N ATOM 1188 CA GLY A 77 -7.087 0.388 -5.152 1.00 0.00 C ATOM 1189 C GLY A 77 -8.160 -0.012 -4.143 1.00 0.00 C ATOM 1190 O GLY A 77 -9.322 -0.208 -4.518 1.00 0.00 O ATOM 0 H GLY A 77 -7.798 -0.666 -6.802 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.215 -0.256 -5.034 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.759 1.408 -4.952 1.00 0.00 H new ATOM 1194 N ALA A 78 -7.781 -0.165 -2.870 1.00 0.00 N ATOM 1195 CA ALA A 78 -8.667 -0.569 -1.785 1.00 0.00 C ATOM 1196 C ALA A 78 -8.220 -0.024 -0.421 1.00 0.00 C ATOM 1197 O ALA A 78 -7.138 0.552 -0.260 1.00 0.00 O ATOM 1198 CB ALA A 78 -8.757 -2.097 -1.755 1.00 0.00 C ATOM 0 H ALA A 78 -6.822 -0.006 -2.562 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.651 -0.140 -1.977 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.418 -2.407 -0.946 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.153 -2.457 -2.705 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.764 -2.517 -1.593 1.00 0.00 H new ATOM 1204 N LYS A 79 -9.099 -0.174 0.566 1.00 0.00 N ATOM 1205 CA LYS A 79 -8.938 0.192 1.960 1.00 0.00 C ATOM 1206 C LYS A 79 -9.675 -0.854 2.803 1.00 0.00 C ATOM 1207 O LYS A 79 -10.429 -1.673 2.265 1.00 0.00 O ATOM 1208 CB LYS A 79 -9.493 1.609 2.210 1.00 0.00 C ATOM 1209 CG LYS A 79 -10.948 1.791 1.738 1.00 0.00 C ATOM 1210 CD LYS A 79 -11.720 2.818 2.568 1.00 0.00 C ATOM 1211 CE LYS A 79 -13.171 2.355 2.684 1.00 0.00 C ATOM 1212 NZ LYS A 79 -13.467 1.827 4.046 1.00 0.00 N ATOM 0 H LYS A 79 -10.014 -0.589 0.392 1.00 0.00 H new ATOM 0 HA LYS A 79 -7.884 0.210 2.236 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.435 1.831 3.276 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.860 2.334 1.698 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.949 2.101 0.693 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.463 0.831 1.786 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.274 2.918 3.558 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.672 3.799 2.096 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.839 3.187 2.462 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -13.368 1.582 1.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.343 1.266 4.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.680 1.225 4.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.585 2.620 4.708 1.00 0.00 H new ATOM 1226 N LEU A 80 -9.481 -0.802 4.116 1.00 0.00 N ATOM 1227 CA LEU A 80 -10.225 -1.570 5.106 1.00 0.00 C ATOM 1228 C LEU A 80 -11.027 -0.561 5.934 1.00 0.00 C ATOM 1229 O LEU A 80 -11.300 0.551 5.458 1.00 0.00 O ATOM 1230 CB LEU A 80 -9.254 -2.476 5.909 1.00 0.00 C ATOM 1231 CG LEU A 80 -9.774 -3.920 6.129 1.00 0.00 C ATOM 1232 CD1 LEU A 80 -8.597 -4.899 6.084 1.00 0.00 C ATOM 1233 CD2 LEU A 80 -10.502 -4.174 7.457 1.00 0.00 C ATOM 0 H LEU A 80 -8.773 -0.200 4.536 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.937 -2.269 4.666 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.299 -2.521 5.386 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -9.065 -2.017 6.880 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.500 -4.066 5.329 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -8.962 -5.914 6.239 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -8.106 -4.834 5.113 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -7.884 -4.647 6.869 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -10.822 -5.215 7.503 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -9.828 -3.964 8.287 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -11.374 -3.524 7.524 1.00 0.00 H new ATOM 1245 N LEU A 81 -11.405 -0.968 7.147 1.00 0.00 N ATOM 1246 CA LEU A 81 -12.321 -0.343 8.099 1.00 0.00 C ATOM 1247 C LEU A 81 -12.232 1.173 8.054 1.00 0.00 C ATOM 1248 O LEU A 81 -13.227 1.859 7.816 1.00 0.00 O ATOM 1249 CB LEU A 81 -12.009 -0.904 9.499 1.00 0.00 C ATOM 1250 CG LEU A 81 -13.234 -0.934 10.428 1.00 0.00 C ATOM 1251 CD1 LEU A 81 -13.124 -2.122 11.388 1.00 0.00 C ATOM 1252 CD2 LEU A 81 -13.368 0.364 11.232 1.00 0.00 C ATOM 0 H LEU A 81 -11.035 -1.840 7.526 1.00 0.00 H new ATOM 0 HA LEU A 81 -13.351 -0.582 7.834 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.613 -1.915 9.398 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.227 -0.300 9.959 1.00 0.00 H new ATOM 0 HG LEU A 81 -14.123 -1.037 9.805 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -13.994 -2.141 12.045 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -13.081 -3.049 10.816 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.219 -2.023 11.987 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -14.245 0.304 11.876 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.477 0.507 11.844 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -13.477 1.206 10.548 1.00 0.00 H new ATOM 1264 N HIS A 82 -11.016 1.684 8.228 1.00 0.00 N ATOM 1265 CA HIS A 82 -10.686 3.061 7.882 1.00 0.00 C ATOM 1266 C HIS A 82 -9.385 3.163 7.083 1.00 0.00 C ATOM 1267 O HIS A 82 -9.221 4.108 6.311 1.00 0.00 O ATOM 1268 CB HIS A 82 -10.695 3.950 9.141 1.00 0.00 C ATOM 1269 CG HIS A 82 -9.747 3.561 10.256 1.00 0.00 C ATOM 1270 ND1 HIS A 82 -8.751 4.356 10.777 1.00 0.00 N ATOM 1271 CD2 HIS A 82 -9.786 2.418 11.012 1.00 0.00 C ATOM 1272 CE1 HIS A 82 -8.198 3.707 11.813 1.00 0.00 C ATOM 1273 NE2 HIS A 82 -8.771 2.503 11.975 1.00 0.00 N ATOM 0 H HIS A 82 -10.233 1.155 8.612 1.00 0.00 H new ATOM 0 HA HIS A 82 -11.461 3.439 7.215 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -10.463 4.971 8.838 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -11.708 3.959 9.544 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -10.477 1.597 10.888 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -7.403 4.098 12.431 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -8.518 1.792 12.662 1.00 0.00 H new ATOM 1281 N LYS A 83 -8.469 2.203 7.217 1.00 0.00 N ATOM 1282 CA LYS A 83 -7.072 2.396 6.839 1.00 0.00 C ATOM 1283 C LYS A 83 -6.771 1.942 5.416 1.00 0.00 C ATOM 1284 O LYS A 83 -7.500 1.107 4.875 1.00 0.00 O ATOM 1285 CB LYS A 83 -6.192 1.679 7.872 1.00 0.00 C ATOM 1286 CG LYS A 83 -6.328 2.430 9.199 1.00 0.00 C ATOM 1287 CD LYS A 83 -5.250 2.079 10.220 1.00 0.00 C ATOM 1288 CE LYS A 83 -5.763 0.929 11.104 1.00 0.00 C ATOM 1289 NZ LYS A 83 -5.322 1.088 12.503 1.00 0.00 N ATOM 0 H LYS A 83 -8.675 1.276 7.589 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.851 3.463 6.841 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -6.504 0.641 7.986 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -5.152 1.665 7.545 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.295 3.502 9.004 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.306 2.214 9.629 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -4.331 1.785 9.713 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -5.012 2.949 10.832 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -6.852 0.896 11.066 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -5.402 -0.022 10.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -5.684 0.297 13.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.283 1.095 12.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -5.688 1.984 12.883 1.00 0.00 H new ATOM 1303 N PRO A 84 -5.695 2.461 4.801 1.00 0.00 N ATOM 1304 CA PRO A 84 -5.300 2.059 3.460 1.00 0.00 C ATOM 1305 C PRO A 84 -4.697 0.655 3.524 1.00 0.00 C ATOM 1306 O PRO A 84 -4.076 0.294 4.531 1.00 0.00 O ATOM 1307 CB PRO A 84 -4.285 3.115 3.015 1.00 0.00 C ATOM 1308 CG PRO A 84 -3.616 3.527 4.326 1.00 0.00 C ATOM 1309 CD PRO A 84 -4.712 3.375 5.375 1.00 0.00 C ATOM 0 HA PRO A 84 -6.127 2.008 2.752 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -3.565 2.708 2.305 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -4.770 3.960 2.527 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -2.759 2.892 4.552 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -3.249 4.552 4.280 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -4.308 2.979 6.307 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -5.165 4.339 5.608 1.00 0.00 H new ATOM 1317 N ILE A 85 -4.843 -0.117 2.444 1.00 0.00 N ATOM 1318 CA ILE A 85 -4.338 -1.483 2.365 1.00 0.00 C ATOM 1319 C ILE A 85 -3.499 -1.617 1.097 1.00 0.00 C ATOM 1320 O ILE A 85 -3.717 -0.911 0.106 1.00 0.00 O ATOM 1321 CB ILE A 85 -5.484 -2.526 2.462 1.00 0.00 C ATOM 1322 CG1 ILE A 85 -6.300 -2.660 1.153 1.00 0.00 C ATOM 1323 CG2 ILE A 85 -6.401 -2.235 3.644 1.00 0.00 C ATOM 1324 CD1 ILE A 85 -5.893 -3.892 0.334 1.00 0.00 C ATOM 0 H ILE A 85 -5.318 0.193 1.597 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.697 -1.695 3.221 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.000 -3.489 2.626 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.361 -2.722 1.394 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -6.162 -1.763 0.549 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.192 -2.983 3.683 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.824 -2.268 4.568 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.843 -1.246 3.527 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.494 -3.940 -0.574 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.839 -3.819 0.067 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.056 -4.793 0.926 1.00 0.00 H new ATOM 1336 N VAL A 86 -2.586 -2.580 1.107 1.00 0.00 N ATOM 1337 CA VAL A 86 -1.696 -2.883 -0.005 1.00 0.00 C ATOM 1338 C VAL A 86 -1.678 -4.390 -0.179 1.00 0.00 C ATOM 1339 O VAL A 86 -1.833 -5.130 0.795 1.00 0.00 O ATOM 1340 CB VAL A 86 -0.269 -2.340 0.237 1.00 0.00 C ATOM 1341 CG1 VAL A 86 -0.241 -0.814 0.344 1.00 0.00 C ATOM 1342 CG2 VAL A 86 0.442 -2.910 1.467 1.00 0.00 C ATOM 0 H VAL A 86 -2.441 -3.189 1.912 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.060 -2.396 -0.910 1.00 0.00 H new ATOM 0 HB VAL A 86 0.273 -2.677 -0.646 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.783 -0.480 0.514 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.616 -0.377 -0.582 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.869 -0.496 1.176 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.435 -2.468 1.551 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.135 -2.677 2.362 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.534 -3.991 1.366 1.00 0.00 H new ATOM 1352 N TRP A 87 -1.438 -4.858 -1.396 1.00 0.00 N ATOM 1353 CA TRP A 87 -1.194 -6.263 -1.631 1.00 0.00 C ATOM 1354 C TRP A 87 0.291 -6.519 -1.327 1.00 0.00 C ATOM 1355 O TRP A 87 1.163 -5.876 -1.928 1.00 0.00 O ATOM 1356 CB TRP A 87 -1.640 -6.625 -3.054 1.00 0.00 C ATOM 1357 CG TRP A 87 -3.042 -6.177 -3.366 1.00 0.00 C ATOM 1358 CD1 TRP A 87 -3.377 -5.085 -4.084 1.00 0.00 C ATOM 1359 CD2 TRP A 87 -4.302 -6.682 -2.836 1.00 0.00 C ATOM 1360 NE1 TRP A 87 -4.747 -4.915 -4.096 1.00 0.00 N ATOM 1361 CE2 TRP A 87 -5.366 -5.846 -3.294 1.00 0.00 C ATOM 1362 CE3 TRP A 87 -4.644 -7.730 -1.963 1.00 0.00 C ATOM 1363 CZ2 TRP A 87 -6.698 -6.030 -2.892 1.00 0.00 C ATOM 1364 CZ3 TRP A 87 -5.975 -7.939 -1.577 1.00 0.00 C ATOM 1365 CH2 TRP A 87 -6.998 -7.083 -2.014 1.00 0.00 C ATOM 0 H TRP A 87 -1.408 -4.278 -2.235 1.00 0.00 H new ATOM 0 HA TRP A 87 -1.775 -6.917 -0.981 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -0.953 -6.173 -3.769 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -1.572 -7.705 -3.186 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -2.672 -4.435 -4.580 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -5.235 -4.195 -4.629 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -3.871 -8.382 -1.585 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -7.477 -5.374 -3.251 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -6.217 -8.772 -0.933 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -8.012 -7.234 -1.676 1.00 0.00 H new ATOM 1376 N HIS A 88 0.565 -7.420 -0.376 1.00 0.00 N ATOM 1377 CA HIS A 88 1.877 -7.971 -0.054 1.00 0.00 C ATOM 1378 C HIS A 88 1.851 -9.483 -0.271 1.00 0.00 C ATOM 1379 O HIS A 88 0.836 -10.141 -0.030 1.00 0.00 O ATOM 1380 CB HIS A 88 2.263 -7.646 1.399 1.00 0.00 C ATOM 1381 CG HIS A 88 1.640 -8.554 2.441 1.00 0.00 C ATOM 1382 ND1 HIS A 88 2.310 -9.470 3.223 1.00 0.00 N ATOM 1383 CD2 HIS A 88 0.317 -8.620 2.788 1.00 0.00 C ATOM 1384 CE1 HIS A 88 1.406 -10.082 4.004 1.00 0.00 C ATOM 1385 NE2 HIS A 88 0.174 -9.600 3.774 1.00 0.00 N ATOM 0 H HIS A 88 -0.168 -7.803 0.221 1.00 0.00 H new ATOM 0 HA HIS A 88 2.624 -7.521 -0.708 1.00 0.00 H new ATOM 0 HB2 HIS A 88 3.348 -7.700 1.493 1.00 0.00 H new ATOM 0 HB3 HIS A 88 1.975 -6.617 1.615 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -0.478 -8.019 2.372 1.00 0.00 H new ATOM 0 HE1 HIS A 88 1.638 -10.857 4.720 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -0.692 -9.891 4.228 1.00 0.00 H new ATOM 1393 N ILE A 89 2.971 -10.058 -0.683 1.00 0.00 N ATOM 1394 CA ILE A 89 3.140 -11.497 -0.840 1.00 0.00 C ATOM 1395 C ILE A 89 4.447 -11.816 -0.142 1.00 0.00 C ATOM 1396 O ILE A 89 5.471 -11.248 -0.509 1.00 0.00 O ATOM 1397 CB ILE A 89 3.159 -11.889 -2.338 1.00 0.00 C ATOM 1398 CG1 ILE A 89 1.758 -11.725 -2.969 1.00 0.00 C ATOM 1399 CG2 ILE A 89 3.661 -13.337 -2.520 1.00 0.00 C ATOM 1400 CD1 ILE A 89 1.762 -11.853 -4.497 1.00 0.00 C ATOM 0 H ILE A 89 3.807 -9.526 -0.923 1.00 0.00 H new ATOM 0 HA ILE A 89 2.317 -12.065 -0.407 1.00 0.00 H new ATOM 0 HB ILE A 89 3.848 -11.217 -2.850 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.088 -12.476 -2.550 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.355 -10.750 -2.694 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.666 -13.590 -3.580 1.00 0.00 H new ATOM 0 HG22 ILE A 89 4.672 -13.424 -2.122 1.00 0.00 H new ATOM 0 HG23 ILE A 89 3.001 -14.021 -1.987 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.747 -11.728 -4.875 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.406 -11.085 -4.925 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.135 -12.838 -4.779 1.00 0.00 H new ATOM 1412 N ASN A 90 4.429 -12.712 0.847 1.00 0.00 N ATOM 1413 CA ASN A 90 5.623 -13.157 1.564 1.00 0.00 C ATOM 1414 C ASN A 90 6.404 -11.974 2.173 1.00 0.00 C ATOM 1415 O ASN A 90 7.636 -11.966 2.203 1.00 0.00 O ATOM 1416 CB ASN A 90 6.421 -14.205 0.744 1.00 0.00 C ATOM 1417 CG ASN A 90 7.202 -13.729 -0.484 1.00 0.00 C ATOM 1418 OD1 ASN A 90 6.983 -14.209 -1.597 1.00 0.00 O ATOM 1419 ND2 ASN A 90 8.163 -12.841 -0.315 1.00 0.00 N ATOM 0 H ASN A 90 3.571 -13.155 1.176 1.00 0.00 H new ATOM 0 HA ASN A 90 5.333 -13.720 2.451 1.00 0.00 H new ATOM 0 HB2 ASN A 90 7.127 -14.687 1.420 1.00 0.00 H new ATOM 0 HB3 ASN A 90 5.720 -14.972 0.415 1.00 0.00 H new ATOM 0 HD21 ASN A 90 8.731 -12.547 -1.109 1.00 0.00 H new ATOM 0 HD22 ASN A 90 8.338 -12.448 0.610 1.00 0.00 H new ATOM 1426 N GLN A 91 5.673 -10.954 2.658 1.00 0.00 N ATOM 1427 CA GLN A 91 6.183 -9.679 3.173 1.00 0.00 C ATOM 1428 C GLN A 91 6.901 -8.842 2.101 1.00 0.00 C ATOM 1429 O GLN A 91 7.594 -7.889 2.444 1.00 0.00 O ATOM 1430 CB GLN A 91 7.070 -9.879 4.419 1.00 0.00 C ATOM 1431 CG GLN A 91 6.406 -10.673 5.554 1.00 0.00 C ATOM 1432 CD GLN A 91 7.256 -10.639 6.823 1.00 0.00 C ATOM 1433 OE1 GLN A 91 6.779 -10.312 7.910 1.00 0.00 O ATOM 1434 NE2 GLN A 91 8.528 -10.992 6.728 1.00 0.00 N ATOM 0 H GLN A 91 4.655 -11.004 2.702 1.00 0.00 H new ATOM 0 HA GLN A 91 5.307 -9.105 3.476 1.00 0.00 H new ATOM 0 HB2 GLN A 91 7.984 -10.392 4.120 1.00 0.00 H new ATOM 0 HB3 GLN A 91 7.364 -8.901 4.801 1.00 0.00 H new ATOM 0 HG2 GLN A 91 5.420 -10.259 5.763 1.00 0.00 H new ATOM 0 HG3 GLN A 91 6.258 -11.706 5.240 1.00 0.00 H new ATOM 0 HE21 GLN A 91 8.916 -11.262 5.824 1.00 0.00 H new ATOM 0 HE22 GLN A 91 9.120 -10.994 7.559 1.00 0.00 H new ATOM 1443 N ALA A 92 6.780 -9.173 0.819 1.00 0.00 N ATOM 1444 CA ALA A 92 7.447 -8.526 -0.297 1.00 0.00 C ATOM 1445 C ALA A 92 6.387 -8.097 -1.314 1.00 0.00 C ATOM 1446 O ALA A 92 5.186 -8.280 -1.102 1.00 0.00 O ATOM 1447 CB ALA A 92 8.481 -9.475 -0.908 1.00 0.00 C ATOM 0 H ALA A 92 6.181 -9.942 0.519 1.00 0.00 H new ATOM 0 HA ALA A 92 7.985 -7.639 0.037 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.977 -8.983 -1.744 1.00 0.00 H new ATOM 0 HB2 ALA A 92 9.221 -9.742 -0.153 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.982 -10.377 -1.262 1.00 0.00 H new ATOM 1453 N THR A 93 6.836 -7.487 -2.404 1.00 0.00 N ATOM 1454 CA THR A 93 6.011 -7.058 -3.515 1.00 0.00 C ATOM 1455 C THR A 93 6.709 -7.544 -4.787 1.00 0.00 C ATOM 1456 O THR A 93 7.940 -7.648 -4.811 1.00 0.00 O ATOM 1457 CB THR A 93 5.790 -5.532 -3.424 1.00 0.00 C ATOM 1458 OG1 THR A 93 4.855 -5.134 -4.418 1.00 0.00 O ATOM 1459 CG2 THR A 93 7.093 -4.705 -3.476 1.00 0.00 C ATOM 0 H THR A 93 7.824 -7.272 -2.539 1.00 0.00 H new ATOM 0 HA THR A 93 5.008 -7.484 -3.509 1.00 0.00 H new ATOM 0 HB THR A 93 5.380 -5.317 -2.437 1.00 0.00 H new ATOM 0 HG1 THR A 93 4.278 -5.892 -4.646 1.00 0.00 H new ATOM 0 HG21 THR A 93 6.853 -3.644 -3.407 1.00 0.00 H new ATOM 0 HG22 THR A 93 7.736 -4.987 -2.643 1.00 0.00 H new ATOM 0 HG23 THR A 93 7.610 -4.900 -4.416 1.00 0.00 H new ATOM 1467 N THR A 94 5.946 -7.868 -5.827 1.00 0.00 N ATOM 1468 CA THR A 94 6.439 -8.382 -7.100 1.00 0.00 C ATOM 1469 C THR A 94 5.674 -7.678 -8.226 1.00 0.00 C ATOM 1470 O THR A 94 4.753 -6.899 -7.956 1.00 0.00 O ATOM 1471 CB THR A 94 6.284 -9.919 -7.150 1.00 0.00 C ATOM 1472 OG1 THR A 94 4.933 -10.271 -7.367 1.00 0.00 O ATOM 1473 CG2 THR A 94 6.751 -10.646 -5.883 1.00 0.00 C ATOM 0 H THR A 94 4.930 -7.776 -5.805 1.00 0.00 H new ATOM 0 HA THR A 94 7.502 -8.175 -7.220 1.00 0.00 H new ATOM 0 HB THR A 94 6.927 -10.235 -7.972 1.00 0.00 H new ATOM 0 HG1 THR A 94 4.850 -11.247 -7.398 1.00 0.00 H new ATOM 0 HG21 THR A 94 6.606 -11.719 -6.005 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.808 -10.439 -5.714 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.171 -10.297 -5.029 1.00 0.00 H new ATOM 1481 N LYS A 95 5.939 -8.001 -9.499 1.00 0.00 N ATOM 1482 CA LYS A 95 5.123 -7.477 -10.597 1.00 0.00 C ATOM 1483 C LYS A 95 3.664 -7.961 -10.517 1.00 0.00 C ATOM 1484 O LYS A 95 2.834 -7.469 -11.279 1.00 0.00 O ATOM 1485 CB LYS A 95 5.746 -7.778 -11.968 1.00 0.00 C ATOM 1486 CG LYS A 95 5.378 -6.710 -13.023 1.00 0.00 C ATOM 1487 CD LYS A 95 5.325 -7.258 -14.455 1.00 0.00 C ATOM 1488 CE LYS A 95 6.674 -7.849 -14.855 1.00 0.00 C ATOM 1489 NZ LYS A 95 6.676 -8.428 -16.213 1.00 0.00 N ATOM 0 H LYS A 95 6.701 -8.614 -9.789 1.00 0.00 H new ATOM 0 HA LYS A 95 5.104 -6.393 -10.483 1.00 0.00 H new ATOM 0 HB2 LYS A 95 6.830 -7.830 -11.869 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.410 -8.756 -12.311 1.00 0.00 H new ATOM 0 HG2 LYS A 95 4.409 -6.280 -12.771 1.00 0.00 H new ATOM 0 HG3 LYS A 95 6.107 -5.901 -12.979 1.00 0.00 H new ATOM 0 HD2 LYS A 95 4.551 -8.022 -14.529 1.00 0.00 H new ATOM 0 HD3 LYS A 95 5.053 -6.460 -15.146 1.00 0.00 H new ATOM 0 HE2 LYS A 95 7.435 -7.071 -14.798 1.00 0.00 H new ATOM 0 HE3 LYS A 95 6.952 -8.621 -14.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 7.619 -8.812 -16.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 5.971 -9.191 -16.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 6.439 -7.689 -16.906 1.00 0.00 H new ATOM 1503 N THR A 96 3.305 -8.882 -9.622 1.00 0.00 N ATOM 1504 CA THR A 96 1.921 -9.245 -9.342 1.00 0.00 C ATOM 1505 C THR A 96 1.226 -8.172 -8.482 1.00 0.00 C ATOM 1506 O THR A 96 0.057 -7.871 -8.725 1.00 0.00 O ATOM 1507 CB THR A 96 1.926 -10.635 -8.688 1.00 0.00 C ATOM 1508 OG1 THR A 96 2.536 -11.560 -9.574 1.00 0.00 O ATOM 1509 CG2 THR A 96 0.548 -11.167 -8.321 1.00 0.00 C ATOM 0 H THR A 96 3.981 -9.403 -9.064 1.00 0.00 H new ATOM 0 HA THR A 96 1.338 -9.292 -10.262 1.00 0.00 H new ATOM 0 HB THR A 96 2.478 -10.523 -7.755 1.00 0.00 H new ATOM 0 HG1 THR A 96 2.545 -12.450 -9.163 1.00 0.00 H new ATOM 0 HG21 THR A 96 0.648 -12.152 -7.866 1.00 0.00 H new ATOM 0 HG22 THR A 96 0.072 -10.487 -7.614 1.00 0.00 H new ATOM 0 HG23 THR A 96 -0.064 -11.243 -9.220 1.00 0.00 H new ATOM 1517 N THR A 97 1.925 -7.512 -7.558 1.00 0.00 N ATOM 1518 CA THR A 97 1.337 -6.588 -6.581 1.00 0.00 C ATOM 1519 C THR A 97 1.790 -5.142 -6.821 1.00 0.00 C ATOM 1520 O THR A 97 1.281 -4.226 -6.186 1.00 0.00 O ATOM 1521 CB THR A 97 1.711 -7.080 -5.168 1.00 0.00 C ATOM 1522 OG1 THR A 97 3.112 -7.287 -5.087 1.00 0.00 O ATOM 1523 CG2 THR A 97 1.023 -8.411 -4.831 1.00 0.00 C ATOM 0 H THR A 97 2.936 -7.605 -7.464 1.00 0.00 H new ATOM 0 HA THR A 97 0.252 -6.581 -6.690 1.00 0.00 H new ATOM 0 HB THR A 97 1.384 -6.316 -4.463 1.00 0.00 H new ATOM 0 HG1 THR A 97 3.290 -8.174 -4.711 1.00 0.00 H new ATOM 0 HG21 THR A 97 1.311 -8.726 -3.828 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.059 -8.283 -4.875 1.00 0.00 H new ATOM 0 HG23 THR A 97 1.328 -9.171 -5.551 1.00 0.00 H new ATOM 1531 N PHE A 98 2.697 -4.923 -7.768 1.00 0.00 N ATOM 1532 CA PHE A 98 3.278 -3.652 -8.170 1.00 0.00 C ATOM 1533 C PHE A 98 2.225 -2.714 -8.737 1.00 0.00 C ATOM 1534 O PHE A 98 2.034 -1.625 -8.202 1.00 0.00 O ATOM 1535 CB PHE A 98 4.380 -3.951 -9.189 1.00 0.00 C ATOM 1536 CG PHE A 98 4.734 -2.855 -10.171 1.00 0.00 C ATOM 1537 CD1 PHE A 98 5.315 -1.660 -9.720 1.00 0.00 C ATOM 1538 CD2 PHE A 98 4.494 -3.043 -11.544 1.00 0.00 C ATOM 1539 CE1 PHE A 98 5.655 -0.652 -10.639 1.00 0.00 C ATOM 1540 CE2 PHE A 98 4.884 -2.060 -12.466 1.00 0.00 C ATOM 1541 CZ PHE A 98 5.481 -0.870 -12.016 1.00 0.00 C ATOM 0 H PHE A 98 3.074 -5.695 -8.317 1.00 0.00 H new ATOM 0 HA PHE A 98 3.700 -3.139 -7.306 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.284 -4.217 -8.640 1.00 0.00 H new ATOM 0 HB3 PHE A 98 4.083 -4.831 -9.759 1.00 0.00 H new ATOM 0 HD1 PHE A 98 5.501 -1.515 -8.666 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.009 -3.944 -11.889 1.00 0.00 H new ATOM 0 HE1 PHE A 98 6.050 0.290 -10.287 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.725 -2.218 -13.523 1.00 0.00 H new ATOM 0 HZ PHE A 98 5.805 -0.125 -12.727 1.00 0.00 H new ATOM 1551 N LYS A 99 1.533 -3.117 -9.808 1.00 0.00 N ATOM 1552 CA LYS A 99 0.547 -2.265 -10.458 1.00 0.00 C ATOM 1553 C LYS A 99 -0.516 -1.847 -9.441 1.00 0.00 C ATOM 1554 O LYS A 99 -0.791 -0.651 -9.377 1.00 0.00 O ATOM 1555 CB LYS A 99 -0.130 -2.968 -11.642 1.00 0.00 C ATOM 1556 CG LYS A 99 0.713 -2.884 -12.923 1.00 0.00 C ATOM 1557 CD LYS A 99 -0.117 -3.099 -14.200 1.00 0.00 C ATOM 1558 CE LYS A 99 -0.056 -1.888 -15.141 1.00 0.00 C ATOM 1559 NZ LYS A 99 -0.675 -0.671 -14.568 1.00 0.00 N ATOM 0 H LYS A 99 1.643 -4.034 -10.241 1.00 0.00 H new ATOM 0 HA LYS A 99 1.069 -1.390 -10.844 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -0.303 -4.014 -11.391 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -1.106 -2.517 -11.821 1.00 0.00 H new ATOM 0 HG2 LYS A 99 1.197 -1.909 -12.970 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.505 -3.631 -12.880 1.00 0.00 H new ATOM 0 HD2 LYS A 99 0.247 -3.983 -14.724 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -1.154 -3.294 -13.929 1.00 0.00 H new ATOM 0 HE2 LYS A 99 0.985 -1.678 -15.385 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -0.558 -2.137 -16.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -0.602 0.110 -15.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -1.677 -0.856 -14.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -0.182 -0.411 -13.690 1.00 0.00 H new ATOM 1573 N PRO A 100 -1.130 -2.750 -8.646 1.00 0.00 N ATOM 1574 CA PRO A 100 -2.116 -2.306 -7.684 1.00 0.00 C ATOM 1575 C PRO A 100 -1.466 -1.527 -6.534 1.00 0.00 C ATOM 1576 O PRO A 100 -2.139 -0.677 -5.956 1.00 0.00 O ATOM 1577 CB PRO A 100 -2.858 -3.570 -7.249 1.00 0.00 C ATOM 1578 CG PRO A 100 -1.799 -4.655 -7.357 1.00 0.00 C ATOM 1579 CD PRO A 100 -1.025 -4.209 -8.600 1.00 0.00 C ATOM 0 HA PRO A 100 -2.823 -1.592 -8.106 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -3.240 -3.482 -6.232 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -3.712 -3.777 -7.894 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -1.164 -4.697 -6.472 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.238 -5.645 -7.481 1.00 0.00 H new ATOM 0 HD2 PRO A 100 0.017 -4.522 -8.542 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.444 -4.658 -9.501 1.00 0.00 H new ATOM 1587 N ASN A 101 -0.168 -1.708 -6.243 1.00 0.00 N ATOM 1588 CA ASN A 101 0.495 -0.905 -5.230 1.00 0.00 C ATOM 1589 C ASN A 101 0.554 0.544 -5.696 1.00 0.00 C ATOM 1590 O ASN A 101 0.356 1.429 -4.873 1.00 0.00 O ATOM 1591 CB ASN A 101 1.902 -1.437 -4.894 1.00 0.00 C ATOM 1592 CG ASN A 101 1.933 -2.158 -3.552 1.00 0.00 C ATOM 1593 OD1 ASN A 101 1.468 -1.624 -2.558 1.00 0.00 O ATOM 1594 ND2 ASN A 101 2.433 -3.384 -3.477 1.00 0.00 N ATOM 0 H ASN A 101 0.430 -2.399 -6.696 1.00 0.00 H new ATOM 0 HA ASN A 101 -0.086 -0.968 -4.310 1.00 0.00 H new ATOM 0 HB2 ASN A 101 2.229 -2.118 -5.679 1.00 0.00 H new ATOM 0 HB3 ASN A 101 2.609 -0.607 -4.877 1.00 0.00 H new ATOM 0 HD21 ASN A 101 2.429 -3.883 -2.587 1.00 0.00 H new ATOM 0 HD22 ASN A 101 2.821 -3.828 -4.309 1.00 0.00 H new ATOM 1601 N THR A 102 0.745 0.828 -6.998 1.00 0.00 N ATOM 1602 CA THR A 102 0.747 2.221 -7.448 1.00 0.00 C ATOM 1603 C THR A 102 -0.563 2.899 -7.045 1.00 0.00 C ATOM 1604 O THR A 102 -0.567 4.049 -6.629 1.00 0.00 O ATOM 1605 CB THR A 102 1.038 2.418 -8.953 1.00 0.00 C ATOM 1606 OG1 THR A 102 -0.073 2.205 -9.817 1.00 0.00 O ATOM 1607 CG2 THR A 102 2.145 1.564 -9.544 1.00 0.00 C ATOM 0 H THR A 102 0.895 0.134 -7.730 1.00 0.00 H new ATOM 0 HA THR A 102 1.587 2.698 -6.943 1.00 0.00 H new ATOM 0 HB THR A 102 1.337 3.466 -8.925 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.377 1.277 -9.736 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.254 1.793 -10.604 1.00 0.00 H new ATOM 0 HG22 THR A 102 3.082 1.775 -9.029 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.895 0.510 -9.424 1.00 0.00 H new ATOM 1615 N TRP A 103 -1.684 2.189 -7.160 1.00 0.00 N ATOM 1616 CA TRP A 103 -2.993 2.711 -6.808 1.00 0.00 C ATOM 1617 C TRP A 103 -3.129 2.997 -5.320 1.00 0.00 C ATOM 1618 O TRP A 103 -3.802 3.971 -4.981 1.00 0.00 O ATOM 1619 CB TRP A 103 -4.079 1.753 -7.277 1.00 0.00 C ATOM 1620 CG TRP A 103 -4.316 1.826 -8.743 1.00 0.00 C ATOM 1621 CD1 TRP A 103 -3.748 1.049 -9.690 1.00 0.00 C ATOM 1622 CD2 TRP A 103 -5.126 2.805 -9.449 1.00 0.00 C ATOM 1623 NE1 TRP A 103 -4.212 1.436 -10.929 1.00 0.00 N ATOM 1624 CE2 TRP A 103 -5.092 2.494 -10.835 1.00 0.00 C ATOM 1625 CE3 TRP A 103 -5.876 3.931 -9.051 1.00 0.00 C ATOM 1626 CZ2 TRP A 103 -5.827 3.227 -11.773 1.00 0.00 C ATOM 1627 CZ3 TRP A 103 -6.627 4.667 -9.982 1.00 0.00 C ATOM 1628 CH2 TRP A 103 -6.615 4.304 -11.334 1.00 0.00 C ATOM 0 H TRP A 103 -1.704 1.229 -7.503 1.00 0.00 H new ATOM 0 HA TRP A 103 -3.110 3.667 -7.319 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -3.799 0.734 -7.009 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -5.007 1.978 -6.752 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -3.043 0.252 -9.506 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -3.938 0.995 -11.807 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -5.873 4.232 -8.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -5.789 2.968 -12.821 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -7.214 5.513 -9.655 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -7.215 4.855 -12.043 1.00 0.00 H new ATOM 1639 N CYS A 104 -2.495 2.213 -4.444 1.00 0.00 N ATOM 1640 CA CYS A 104 -2.438 2.589 -3.043 1.00 0.00 C ATOM 1641 C CYS A 104 -1.597 3.850 -2.886 1.00 0.00 C ATOM 1642 O CYS A 104 -2.040 4.762 -2.195 1.00 0.00 O ATOM 1643 CB CYS A 104 -1.875 1.475 -2.165 1.00 0.00 C ATOM 1644 SG CYS A 104 -2.190 1.933 -0.432 1.00 0.00 S ATOM 0 H CYS A 104 -2.027 1.337 -4.678 1.00 0.00 H new ATOM 0 HA CYS A 104 -3.459 2.776 -2.711 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -2.350 0.523 -2.402 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -0.806 1.351 -2.341 1.00 0.00 H new ATOM 0 HG CYS A 104 -2.835 0.972 0.160 1.00 0.00 H new ATOM 1650 N LEU A 105 -0.422 3.930 -3.526 1.00 0.00 N ATOM 1651 CA LEU A 105 0.502 5.048 -3.340 1.00 0.00 C ATOM 1652 C LEU A 105 -0.209 6.326 -3.763 1.00 0.00 C ATOM 1653 O LEU A 105 -0.149 7.332 -3.068 1.00 0.00 O ATOM 1654 CB LEU A 105 1.804 4.840 -4.138 1.00 0.00 C ATOM 1655 CG LEU A 105 2.648 3.638 -3.663 1.00 0.00 C ATOM 1656 CD1 LEU A 105 3.736 3.288 -4.684 1.00 0.00 C ATOM 1657 CD2 LEU A 105 3.303 3.878 -2.300 1.00 0.00 C ATOM 0 H LEU A 105 -0.090 3.224 -4.183 1.00 0.00 H new ATOM 0 HA LEU A 105 0.791 5.116 -2.291 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.555 4.702 -5.190 1.00 0.00 H new ATOM 0 HB3 LEU A 105 2.408 5.745 -4.069 1.00 0.00 H new ATOM 0 HG LEU A 105 1.952 2.805 -3.564 1.00 0.00 H new ATOM 0 HD11 LEU A 105 4.314 2.438 -4.322 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.272 3.032 -5.637 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.396 4.144 -4.820 1.00 0.00 H new ATOM 0 HD21 LEU A 105 3.884 3.000 -2.016 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.961 4.745 -2.360 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.531 4.060 -1.552 1.00 0.00 H new ATOM 1669 N ARG A 106 -0.981 6.256 -4.849 1.00 0.00 N ATOM 1670 CA ARG A 106 -1.771 7.381 -5.324 1.00 0.00 C ATOM 1671 C ARG A 106 -2.850 7.831 -4.345 1.00 0.00 C ATOM 1672 O ARG A 106 -3.299 8.966 -4.460 1.00 0.00 O ATOM 1673 CB ARG A 106 -2.436 7.018 -6.656 1.00 0.00 C ATOM 1674 CG ARG A 106 -1.385 6.991 -7.757 1.00 0.00 C ATOM 1675 CD ARG A 106 -2.004 6.799 -9.143 1.00 0.00 C ATOM 1676 NE ARG A 106 -1.267 7.569 -10.158 1.00 0.00 N ATOM 1677 CZ ARG A 106 -1.792 8.105 -11.267 1.00 0.00 C ATOM 1678 NH1 ARG A 106 -3.025 7.781 -11.654 1.00 0.00 N ATOM 1679 NH2 ARG A 106 -1.073 8.947 -12.000 1.00 0.00 N ATOM 0 H ARG A 106 -1.073 5.416 -5.420 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.076 8.212 -5.440 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -2.922 6.046 -6.579 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -3.212 7.744 -6.897 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -0.819 7.922 -7.740 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.678 6.185 -7.562 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -1.996 5.741 -9.406 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -3.047 7.115 -9.127 1.00 0.00 H new ATOM 0 HE ARG A 106 -0.268 7.706 -10.003 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -3.575 7.121 -11.104 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -3.419 8.193 -12.500 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -0.122 9.185 -11.718 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -1.472 9.356 -12.845 1.00 0.00 H new ATOM 1693 N CYS A 107 -3.309 6.962 -3.443 1.00 0.00 N ATOM 1694 CA CYS A 107 -4.219 7.364 -2.385 1.00 0.00 C ATOM 1695 C CYS A 107 -3.437 8.065 -1.270 1.00 0.00 C ATOM 1696 O CYS A 107 -3.933 9.037 -0.696 1.00 0.00 O ATOM 1697 CB CYS A 107 -4.968 6.143 -1.833 1.00 0.00 C ATOM 1698 SG CYS A 107 -6.577 6.689 -1.189 1.00 0.00 S ATOM 0 H CYS A 107 -3.061 5.973 -3.430 1.00 0.00 H new ATOM 0 HA CYS A 107 -4.954 8.059 -2.791 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -5.108 5.399 -2.617 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -4.386 5.668 -1.043 1.00 0.00 H new ATOM 0 HG CYS A 107 -7.226 5.666 -0.719 1.00 0.00 H new ATOM 1704 N LEU A 108 -2.234 7.568 -0.955 1.00 0.00 N ATOM 1705 CA LEU A 108 -1.375 8.140 0.071 1.00 0.00 C ATOM 1706 C LEU A 108 -0.893 9.543 -0.327 1.00 0.00 C ATOM 1707 O LEU A 108 -0.733 10.376 0.562 1.00 0.00 O ATOM 1708 CB LEU A 108 -0.163 7.235 0.355 1.00 0.00 C ATOM 1709 CG LEU A 108 -0.399 5.743 0.652 1.00 0.00 C ATOM 1710 CD1 LEU A 108 0.942 5.083 0.980 1.00 0.00 C ATOM 1711 CD2 LEU A 108 -1.403 5.434 1.762 1.00 0.00 C ATOM 0 H LEU A 108 -1.833 6.750 -1.414 1.00 0.00 H new ATOM 0 HA LEU A 108 -1.971 8.219 0.980 1.00 0.00 H new ATOM 0 HB2 LEU A 108 0.503 7.298 -0.505 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.372 7.659 1.205 1.00 0.00 H new ATOM 0 HG LEU A 108 -0.850 5.337 -0.253 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.785 4.025 1.192 1.00 0.00 H new ATOM 0 HD12 LEU A 108 1.616 5.186 0.130 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.382 5.566 1.852 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -1.489 4.354 1.884 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -1.061 5.879 2.696 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.376 5.848 1.498 1.00 0.00 H new ATOM 1723 N TRP A 109 -0.696 9.830 -1.625 1.00 0.00 N ATOM 1724 CA TRP A 109 -0.323 11.134 -2.153 1.00 0.00 C ATOM 1725 C TRP A 109 -1.269 12.203 -1.603 1.00 0.00 C ATOM 1726 O TRP A 109 -2.467 11.963 -1.470 1.00 0.00 O ATOM 1727 CB TRP A 109 -0.401 11.104 -3.689 1.00 0.00 C ATOM 1728 CG TRP A 109 0.583 10.296 -4.479 1.00 0.00 C ATOM 1729 CD1 TRP A 109 1.595 9.542 -3.999 1.00 0.00 C ATOM 1730 CD2 TRP A 109 0.615 10.117 -5.927 1.00 0.00 C ATOM 1731 NE1 TRP A 109 2.255 8.936 -5.047 1.00 0.00 N ATOM 1732 CE2 TRP A 109 1.677 9.231 -6.258 1.00 0.00 C ATOM 1733 CE3 TRP A 109 -0.185 10.573 -6.993 1.00 0.00 C ATOM 1734 CZ2 TRP A 109 1.934 8.825 -7.577 1.00 0.00 C ATOM 1735 CZ3 TRP A 109 0.070 10.194 -8.325 1.00 0.00 C ATOM 1736 CH2 TRP A 109 1.117 9.302 -8.615 1.00 0.00 C ATOM 0 H TRP A 109 -0.799 9.126 -2.356 1.00 0.00 H new ATOM 0 HA TRP A 109 0.696 11.373 -1.849 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -1.397 10.750 -3.955 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -0.326 12.134 -4.036 1.00 0.00 H new ATOM 0 HD1 TRP A 109 1.848 9.431 -2.955 1.00 0.00 H new ATOM 0 HE1 TRP A 109 3.075 8.340 -4.936 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -1.016 11.231 -6.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 2.752 8.153 -7.791 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -0.539 10.589 -9.124 1.00 0.00 H new ATOM 0 HH2 TRP A 109 1.293 8.985 -9.632 1.00 0.00 H new ATOM 1747 N SER A 110 -0.743 13.385 -1.302 1.00 0.00 N ATOM 1748 CA SER A 110 -1.521 14.493 -0.766 1.00 0.00 C ATOM 1749 C SER A 110 -2.052 15.337 -1.930 1.00 0.00 C ATOM 1750 O SER A 110 -1.485 15.320 -3.023 1.00 0.00 O ATOM 1751 CB SER A 110 -0.635 15.308 0.194 1.00 0.00 C ATOM 1752 OG SER A 110 -1.276 15.448 1.448 1.00 0.00 O ATOM 0 H SER A 110 0.246 13.602 -1.425 1.00 0.00 H new ATOM 0 HA SER A 110 -2.380 14.134 -0.199 1.00 0.00 H new ATOM 0 HB2 SER A 110 0.327 14.812 0.322 1.00 0.00 H new ATOM 0 HB3 SER A 110 -0.433 16.291 -0.231 1.00 0.00 H new ATOM 0 HG SER A 110 -0.704 15.966 2.052 1.00 0.00 H new ATOM 1758 N THR A 111 -3.131 16.087 -1.729 1.00 0.00 N ATOM 1759 CA THR A 111 -3.614 17.039 -2.720 1.00 0.00 C ATOM 1760 C THR A 111 -2.904 18.379 -2.508 1.00 0.00 C ATOM 1761 O THR A 111 -2.683 18.780 -1.359 1.00 0.00 O ATOM 1762 CB THR A 111 -5.147 17.115 -2.637 1.00 0.00 C ATOM 1763 OG1 THR A 111 -5.626 17.251 -1.309 1.00 0.00 O ATOM 1764 CG2 THR A 111 -5.751 15.835 -3.218 1.00 0.00 C ATOM 0 H THR A 111 -3.692 16.052 -0.878 1.00 0.00 H new ATOM 0 HA THR A 111 -3.379 16.723 -3.736 1.00 0.00 H new ATOM 0 HB THR A 111 -5.444 18.000 -3.200 1.00 0.00 H new ATOM 0 HG1 THR A 111 -6.605 17.296 -1.317 1.00 0.00 H new ATOM 0 HG21 THR A 111 -6.838 15.887 -3.160 1.00 0.00 H new ATOM 0 HG22 THR A 111 -5.448 15.730 -4.260 1.00 0.00 H new ATOM 0 HG23 THR A 111 -5.398 14.975 -2.649 1.00 0.00 H new ATOM 1772 N LYS A 112 -2.592 19.078 -3.607 1.00 0.00 N ATOM 1773 CA LYS A 112 -1.663 20.164 -3.790 1.00 0.00 C ATOM 1774 C LYS A 112 -0.234 19.791 -3.371 1.00 0.00 C ATOM 1775 O LYS A 112 -0.045 19.079 -2.387 1.00 0.00 O ATOM 1776 CB LYS A 112 -2.243 21.405 -3.144 1.00 0.00 C ATOM 1777 CG LYS A 112 -1.504 22.670 -3.587 1.00 0.00 C ATOM 1778 CD LYS A 112 -2.241 23.919 -3.142 1.00 0.00 C ATOM 1779 CE LYS A 112 -2.104 24.134 -1.637 1.00 0.00 C ATOM 1780 NZ LYS A 112 -2.812 25.348 -1.205 1.00 0.00 N ATOM 0 H LYS A 112 -3.051 18.855 -4.490 1.00 0.00 H new ATOM 0 HA LYS A 112 -1.539 20.391 -4.849 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -3.299 21.491 -3.402 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -2.187 21.311 -2.059 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -0.497 22.671 -3.170 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -1.400 22.673 -4.672 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -1.847 24.786 -3.673 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -3.295 23.836 -3.406 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -2.503 23.269 -1.106 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -1.049 24.212 -1.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -2.701 25.468 -0.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -2.414 26.175 -1.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -3.822 25.262 -1.436 1.00 0.00 H new ATOM 1794 N PRO A 113 0.791 20.230 -4.117 1.00 0.00 N ATOM 1795 CA PRO A 113 2.173 20.116 -3.704 1.00 0.00 C ATOM 1796 C PRO A 113 2.448 20.960 -2.461 1.00 0.00 C ATOM 1797 O PRO A 113 1.916 22.064 -2.286 1.00 0.00 O ATOM 1798 CB PRO A 113 3.015 20.565 -4.900 1.00 0.00 C ATOM 1799 CG PRO A 113 2.058 21.463 -5.671 1.00 0.00 C ATOM 1800 CD PRO A 113 0.731 20.768 -5.455 1.00 0.00 C ATOM 0 HA PRO A 113 2.422 19.092 -3.424 1.00 0.00 H new ATOM 0 HB2 PRO A 113 3.909 21.103 -4.585 1.00 0.00 H new ATOM 0 HB3 PRO A 113 3.347 19.718 -5.501 1.00 0.00 H new ATOM 0 HG2 PRO A 113 2.053 22.482 -5.283 1.00 0.00 H new ATOM 0 HG3 PRO A 113 2.319 21.525 -6.728 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -0.099 21.466 -5.560 1.00 0.00 H new ATOM 0 HD3 PRO A 113 0.578 19.977 -6.189 1.00 0.00 H new ATOM 1808 N VAL A 114 3.342 20.438 -1.634 1.00 0.00 N ATOM 1809 CA VAL A 114 3.705 20.945 -0.308 1.00 0.00 C ATOM 1810 C VAL A 114 5.230 21.070 -0.191 1.00 0.00 C ATOM 1811 O VAL A 114 5.788 21.028 0.906 1.00 0.00 O ATOM 1812 CB VAL A 114 3.098 20.057 0.816 1.00 0.00 C ATOM 1813 CG1 VAL A 114 2.553 20.928 1.958 1.00 0.00 C ATOM 1814 CG2 VAL A 114 1.963 19.136 0.354 1.00 0.00 C ATOM 0 H VAL A 114 3.868 19.599 -1.880 1.00 0.00 H new ATOM 0 HA VAL A 114 3.281 21.941 -0.181 1.00 0.00 H new ATOM 0 HB VAL A 114 3.925 19.427 1.145 1.00 0.00 H new ATOM 0 HG11 VAL A 114 2.133 20.289 2.734 1.00 0.00 H new ATOM 0 HG12 VAL A 114 3.362 21.525 2.378 1.00 0.00 H new ATOM 0 HG13 VAL A 114 1.777 21.589 1.573 1.00 0.00 H new ATOM 0 HG21 VAL A 114 1.599 18.554 1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 114 1.148 19.737 -0.050 1.00 0.00 H new ATOM 0 HG23 VAL A 114 2.333 18.461 -0.418 1.00 0.00 H new ATOM 1824 N ASP A 115 5.924 21.177 -1.324 1.00 0.00 N ATOM 1825 CA ASP A 115 7.386 21.183 -1.390 1.00 0.00 C ATOM 1826 C ASP A 115 7.921 22.310 -2.286 1.00 0.00 C ATOM 1827 O ASP A 115 9.089 22.308 -2.675 1.00 0.00 O ATOM 1828 CB ASP A 115 7.865 19.790 -1.817 1.00 0.00 C ATOM 1829 CG ASP A 115 9.334 19.558 -1.479 1.00 0.00 C ATOM 1830 OD1 ASP A 115 9.693 19.629 -0.280 1.00 0.00 O ATOM 1831 OD2 ASP A 115 10.110 19.209 -2.396 1.00 0.00 O ATOM 0 H ASP A 115 5.479 21.263 -2.238 1.00 0.00 H new ATOM 0 HA ASP A 115 7.795 21.399 -0.403 1.00 0.00 H new ATOM 0 HB2 ASP A 115 7.256 19.032 -1.325 1.00 0.00 H new ATOM 0 HB3 ASP A 115 7.717 19.670 -2.890 1.00 0.00 H new ATOM 1836 N THR A 116 7.043 23.262 -2.604 1.00 0.00 N ATOM 1837 CA THR A 116 7.227 24.512 -3.324 1.00 0.00 C ATOM 1838 C THR A 116 6.190 25.475 -2.726 1.00 0.00 C ATOM 1839 O THR A 116 5.438 25.049 -1.816 1.00 0.00 O ATOM 1840 CB THR A 116 7.078 24.228 -4.834 1.00 0.00 C ATOM 1841 OG1 THR A 116 8.243 23.569 -5.279 1.00 0.00 O ATOM 1842 CG2 THR A 116 6.904 25.456 -5.723 1.00 0.00 C ATOM 0 H THR A 116 6.067 23.156 -2.326 1.00 0.00 H new ATOM 0 HA THR A 116 8.211 24.969 -3.221 1.00 0.00 H new ATOM 0 HB THR A 116 6.165 23.639 -4.924 1.00 0.00 H new ATOM 0 HG1 THR A 116 8.734 23.215 -4.508 1.00 0.00 H new ATOM 0 HG21 THR A 116 6.809 25.142 -6.762 1.00 0.00 H new ATOM 0 HG22 THR A 116 6.007 25.998 -5.424 1.00 0.00 H new ATOM 0 HG23 THR A 116 7.772 26.107 -5.619 1.00 0.00 H new TER 1850 THR A 116