USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=35 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 19:sc= 0.865 USER MOD Set 1.2: A 94 THR OG1 : rot 160:sc= 0.933 USER MOD Set 1.3: A 97 THR OG1 : rot -73:sc= 2.18 USER MOD Set 1.4: A 101 ASN : amide:sc= 1.12 K(o=5.1,f=-2.2!) USER MOD Single : A 1 MET CE :methyl -168:sc= -0.0165 (180deg=-0.14) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) 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= 0.686 K(o=0.69,f=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.172 USER MOD Single : A 13 GLN : amide:sc=-0.00222 K(o=-0.0022,f=-2.1) USER MOD Single : A 17 ASN : amide:sc= -0.178 X(o=-0.18,f=-0.2) USER MOD Single : A 19 SER OG : rot -70:sc= 0.213 USER MOD Single : A 22 ASN : amide:sc= 0.694 K(o=0.69,f=-0.029) USER MOD Single : A 24 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0277) USER MOD Single : A 26 THR OG1 : rot -109:sc= 0.00147 USER MOD Single : A 27 CYS SG : rot 166:sc= -0.696 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0.196 K(o=0.2,f=-6.9!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0068 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= 1.41 K(o=1.4,f=-5.6!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 39 MET CE :methyl -149:sc= -1.74 (180deg=-3.89!) USER MOD Single : A 40 THR OG1 : rot -86:sc= 1.66 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 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 51 SER OG : rot 180:sc= -0.0104 USER MOD Single : A 53 THR OG1 : rot 70:sc= 0.449 USER MOD Single : A 59 ASN : amide:sc= 1.14 K(o=1.1,f=-0.07) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HE2:sc= -0.15 K(o=-0.15,f=-2.6) 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 USER MOD Single : A 75 LYS NZ :NH3+ 154:sc= 0.832 (180deg=0.318) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.126 X(o=-0.13,f=-0.044) USER MOD Single : A 83 LYS NZ :NH3+ -139:sc= 1.24 (180deg=-0.411) USER MOD Single : A 88 HIS : no HD1:sc= -0.0393 K(o=-0.039,f=-1) USER MOD Single : A 90 ASN : amide:sc= 0.0657 K(o=0.066,f=-0.65) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0.0024) USER MOD Single : A 95 LYS NZ :NH3+ 175:sc=-0.00695 (180deg=-0.0525) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -53:sc= 1.32 USER MOD Single : A 104 CYS SG : rot -130:sc= -1.46 USER MOD Single : A 107 CYS SG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 57:sc= 0.66 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ -124:sc= 1.21 (180deg=-0.161) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.972 -17.009 9.862 1.00 0.00 N ATOM 2 CA MET A 1 -8.209 -18.181 8.999 1.00 0.00 C ATOM 3 C MET A 1 -9.495 -18.039 8.204 1.00 0.00 C ATOM 4 O MET A 1 -9.444 -18.152 6.980 1.00 0.00 O ATOM 5 CB MET A 1 -8.227 -19.510 9.763 1.00 0.00 C ATOM 6 CG MET A 1 -6.874 -20.213 9.699 1.00 0.00 C ATOM 7 SD MET A 1 -6.913 -21.973 10.146 1.00 0.00 S ATOM 8 CE MET A 1 -7.947 -21.947 11.631 1.00 0.00 C ATOM 0 H1 MET A 1 -7.086 -17.140 10.390 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.902 -16.154 9.274 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.761 -16.905 10.531 1.00 0.00 H new ATOM 0 HA MET A 1 -7.359 -18.207 8.317 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.494 -19.328 10.804 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.996 -20.160 9.345 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.477 -20.117 8.688 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.180 -19.698 10.364 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.885 -22.912 12.134 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.598 -21.164 12.304 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.982 -21.750 11.351 1.00 0.00 H new ATOM 18 N TYR A 2 -10.647 -17.897 8.872 1.00 0.00 N ATOM 19 CA TYR A 2 -11.951 -17.973 8.229 1.00 0.00 C ATOM 20 C TYR A 2 -12.083 -16.997 7.054 1.00 0.00 C ATOM 21 O TYR A 2 -11.471 -15.924 7.051 1.00 0.00 O ATOM 22 CB TYR A 2 -13.061 -17.740 9.262 1.00 0.00 C ATOM 23 CG TYR A 2 -14.251 -18.655 9.075 1.00 0.00 C ATOM 24 CD1 TYR A 2 -15.294 -18.319 8.196 1.00 0.00 C ATOM 25 CD2 TYR A 2 -14.295 -19.876 9.766 1.00 0.00 C ATOM 26 CE1 TYR A 2 -16.374 -19.193 8.000 1.00 0.00 C ATOM 27 CE2 TYR A 2 -15.364 -20.759 9.573 1.00 0.00 C ATOM 28 CZ TYR A 2 -16.409 -20.426 8.685 1.00 0.00 C ATOM 29 OH TYR A 2 -17.412 -21.311 8.439 1.00 0.00 O ATOM 0 H TYR A 2 -10.693 -17.726 9.876 1.00 0.00 H new ATOM 0 HA TYR A 2 -12.054 -18.975 7.813 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -12.653 -17.885 10.263 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -13.394 -16.704 9.200 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -15.264 -17.379 7.666 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -13.500 -20.135 10.450 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -17.175 -18.923 7.328 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -15.389 -21.698 10.106 1.00 0.00 H new ATOM 0 HH TYR A 2 -17.287 -22.110 8.993 1.00 0.00 H new ATOM 39 N THR A 3 -12.940 -17.357 6.105 1.00 0.00 N ATOM 40 CA THR A 3 -13.068 -16.749 4.784 1.00 0.00 C ATOM 41 C THR A 3 -14.493 -16.183 4.613 1.00 0.00 C ATOM 42 O THR A 3 -15.169 -16.374 3.600 1.00 0.00 O ATOM 43 CB THR A 3 -12.729 -17.810 3.726 1.00 0.00 C ATOM 44 OG1 THR A 3 -11.734 -18.748 4.121 1.00 0.00 O ATOM 45 CG2 THR A 3 -12.229 -17.153 2.442 1.00 0.00 C ATOM 0 H THR A 3 -13.600 -18.122 6.243 1.00 0.00 H new ATOM 0 HA THR A 3 -12.375 -15.916 4.665 1.00 0.00 H new ATOM 0 HB THR A 3 -13.666 -18.347 3.581 1.00 0.00 H new ATOM 0 HG1 THR A 3 -11.580 -19.387 3.394 1.00 0.00 H new ATOM 0 HG21 THR A 3 -11.995 -17.923 1.707 1.00 0.00 H new ATOM 0 HG22 THR A 3 -13.002 -16.495 2.045 1.00 0.00 H new ATOM 0 HG23 THR A 3 -11.332 -16.571 2.656 1.00 0.00 H new ATOM 53 N GLU A 4 -15.040 -15.661 5.702 1.00 0.00 N ATOM 54 CA GLU A 4 -16.372 -15.071 5.794 1.00 0.00 C ATOM 55 C GLU A 4 -16.355 -13.646 5.237 1.00 0.00 C ATOM 56 O GLU A 4 -16.202 -12.695 6.000 1.00 0.00 O ATOM 57 CB GLU A 4 -16.901 -15.126 7.239 1.00 0.00 C ATOM 58 CG GLU A 4 -15.930 -14.660 8.345 1.00 0.00 C ATOM 59 CD GLU A 4 -16.638 -14.530 9.688 1.00 0.00 C ATOM 60 OE1 GLU A 4 -17.172 -15.548 10.185 1.00 0.00 O ATOM 61 OE2 GLU A 4 -16.634 -13.404 10.255 1.00 0.00 O ATOM 0 H GLU A 4 -14.542 -15.635 6.592 1.00 0.00 H new ATOM 0 HA GLU A 4 -17.062 -15.656 5.186 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -17.802 -14.515 7.296 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -17.197 -16.152 7.455 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -15.108 -15.370 8.433 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -15.494 -13.700 8.068 1.00 0.00 H new ATOM 68 N GLN A 5 -16.527 -13.476 3.921 1.00 0.00 N ATOM 69 CA GLN A 5 -16.334 -12.221 3.199 1.00 0.00 C ATOM 70 C GLN A 5 -14.893 -11.683 3.401 1.00 0.00 C ATOM 71 O GLN A 5 -14.074 -12.370 4.026 1.00 0.00 O ATOM 72 CB GLN A 5 -17.525 -11.288 3.527 1.00 0.00 C ATOM 73 CG GLN A 5 -17.251 -10.207 4.590 1.00 0.00 C ATOM 74 CD GLN A 5 -18.339 -10.070 5.644 1.00 0.00 C ATOM 75 OE1 GLN A 5 -18.999 -9.040 5.738 1.00 0.00 O ATOM 76 NE2 GLN A 5 -18.492 -11.060 6.503 1.00 0.00 N ATOM 0 H GLN A 5 -16.815 -14.240 3.310 1.00 0.00 H new ATOM 0 HA GLN A 5 -16.369 -12.338 2.116 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -17.842 -10.796 2.607 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -18.361 -11.901 3.865 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -16.308 -10.434 5.087 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -17.124 -9.247 4.090 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -17.934 -11.908 6.408 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -19.168 -10.977 7.262 1.00 0.00 H new ATOM 85 N PRO A 6 -14.495 -10.532 2.838 1.00 0.00 N ATOM 86 CA PRO A 6 -13.230 -9.901 3.193 1.00 0.00 C ATOM 87 C PRO A 6 -13.320 -9.168 4.534 1.00 0.00 C ATOM 88 O PRO A 6 -14.380 -9.080 5.154 1.00 0.00 O ATOM 89 CB PRO A 6 -12.937 -8.970 2.024 1.00 0.00 C ATOM 90 CG PRO A 6 -14.327 -8.506 1.597 1.00 0.00 C ATOM 91 CD PRO A 6 -15.151 -9.783 1.773 1.00 0.00 C ATOM 0 HA PRO A 6 -12.425 -10.621 3.341 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -12.306 -8.133 2.323 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -12.418 -9.487 1.217 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -14.696 -7.692 2.221 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -14.341 -8.149 0.567 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -16.183 -9.550 2.036 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -15.180 -10.360 0.849 1.00 0.00 H new ATOM 99 N ILE A 7 -12.187 -8.661 5.020 1.00 0.00 N ATOM 100 CA ILE A 7 -12.096 -8.127 6.371 1.00 0.00 C ATOM 101 C ILE A 7 -12.476 -6.648 6.355 1.00 0.00 C ATOM 102 O ILE A 7 -11.646 -5.780 6.567 1.00 0.00 O ATOM 103 CB ILE A 7 -10.738 -8.466 7.025 1.00 0.00 C ATOM 104 CG1 ILE A 7 -10.465 -9.988 6.962 1.00 0.00 C ATOM 105 CG2 ILE A 7 -10.784 -8.009 8.492 1.00 0.00 C ATOM 106 CD1 ILE A 7 -9.150 -10.422 7.621 1.00 0.00 C ATOM 0 H ILE A 7 -11.316 -8.611 4.491 1.00 0.00 H new ATOM 0 HA ILE A 7 -12.818 -8.613 7.027 1.00 0.00 H new ATOM 0 HB ILE A 7 -9.937 -7.956 6.489 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -11.290 -10.513 7.444 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -10.455 -10.300 5.918 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -9.834 -8.239 8.975 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -10.961 -6.934 8.533 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -11.589 -8.530 9.010 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -9.038 -11.503 7.532 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -8.314 -9.928 7.125 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -9.162 -10.144 8.675 1.00 0.00 H new ATOM 118 N ASP A 8 -13.733 -6.336 6.055 1.00 0.00 N ATOM 119 CA ASP A 8 -14.178 -4.952 5.834 1.00 0.00 C ATOM 120 C ASP A 8 -13.425 -4.282 4.685 1.00 0.00 C ATOM 121 O ASP A 8 -13.350 -3.057 4.593 1.00 0.00 O ATOM 122 CB ASP A 8 -14.115 -4.113 7.125 1.00 0.00 C ATOM 123 CG ASP A 8 -15.372 -3.263 7.298 1.00 0.00 C ATOM 124 OD1 ASP A 8 -15.517 -2.171 6.699 1.00 0.00 O ATOM 125 OD2 ASP A 8 -16.258 -3.721 8.056 1.00 0.00 O ATOM 0 H ASP A 8 -14.475 -7.029 5.957 1.00 0.00 H new ATOM 0 HA ASP A 8 -15.226 -5.004 5.538 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -13.999 -4.773 7.985 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -13.238 -3.467 7.099 1.00 0.00 H new ATOM 130 N LEU A 9 -12.806 -5.093 3.824 1.00 0.00 N ATOM 131 CA LEU A 9 -12.084 -4.601 2.682 1.00 0.00 C ATOM 132 C LEU A 9 -13.098 -4.047 1.700 1.00 0.00 C ATOM 133 O LEU A 9 -13.981 -4.770 1.236 1.00 0.00 O ATOM 134 CB LEU A 9 -11.269 -5.715 2.037 1.00 0.00 C ATOM 135 CG LEU A 9 -10.169 -5.124 1.157 1.00 0.00 C ATOM 136 CD1 LEU A 9 -8.956 -4.709 1.983 1.00 0.00 C ATOM 137 CD2 LEU A 9 -9.718 -6.172 0.157 1.00 0.00 C ATOM 0 H LEU A 9 -12.800 -6.109 3.912 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.385 -3.822 2.986 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.828 -6.346 2.809 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.920 -6.352 1.439 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.576 -4.245 0.657 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.193 -4.293 1.325 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.254 -3.958 2.714 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.553 -5.580 2.501 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.933 -5.758 -0.475 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.334 -7.042 0.690 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.563 -6.471 -0.463 1.00 0.00 H new ATOM 149 N VAL A 10 -12.923 -2.787 1.334 1.00 0.00 N ATOM 150 CA VAL A 10 -13.743 -2.116 0.345 1.00 0.00 C ATOM 151 C VAL A 10 -12.814 -1.444 -0.664 1.00 0.00 C ATOM 152 O VAL A 10 -11.780 -0.888 -0.285 1.00 0.00 O ATOM 153 CB VAL A 10 -14.776 -1.161 0.973 1.00 0.00 C ATOM 154 CG1 VAL A 10 -16.091 -1.904 1.236 1.00 0.00 C ATOM 155 CG2 VAL A 10 -14.339 -0.500 2.283 1.00 0.00 C ATOM 0 H VAL A 10 -12.192 -2.193 1.725 1.00 0.00 H new ATOM 0 HA VAL A 10 -14.359 -2.846 -0.180 1.00 0.00 H new ATOM 0 HB VAL A 10 -14.892 -0.364 0.239 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -16.813 -1.219 1.680 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -16.486 -2.289 0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -15.910 -2.733 1.920 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -15.134 0.152 2.644 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -14.134 -1.269 3.028 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.437 0.088 2.111 1.00 0.00 H new ATOM 165 N PRO A 11 -13.107 -1.531 -1.967 1.00 0.00 N ATOM 166 CA PRO A 11 -12.316 -0.871 -2.991 1.00 0.00 C ATOM 167 C PRO A 11 -12.467 0.643 -2.842 1.00 0.00 C ATOM 168 O PRO A 11 -13.489 1.134 -2.365 1.00 0.00 O ATOM 169 CB PRO A 11 -12.839 -1.401 -4.333 1.00 0.00 C ATOM 170 CG PRO A 11 -13.858 -2.461 -3.957 1.00 0.00 C ATOM 171 CD PRO A 11 -14.300 -2.090 -2.560 1.00 0.00 C ATOM 0 HA PRO A 11 -11.249 -1.078 -2.913 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -13.294 -0.605 -4.923 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -12.033 -1.822 -4.934 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -14.699 -2.465 -4.650 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -13.419 -3.459 -3.982 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -15.117 -1.368 -2.576 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -14.654 -2.960 -2.007 1.00 0.00 H new ATOM 179 N THR A 12 -11.468 1.397 -3.271 1.00 0.00 N ATOM 180 CA THR A 12 -11.557 2.843 -3.388 1.00 0.00 C ATOM 181 C THR A 12 -10.633 3.241 -4.533 1.00 0.00 C ATOM 182 O THR A 12 -10.041 2.389 -5.209 1.00 0.00 O ATOM 183 CB THR A 12 -11.287 3.538 -2.029 1.00 0.00 C ATOM 184 OG1 THR A 12 -11.540 4.923 -2.125 1.00 0.00 O ATOM 185 CG2 THR A 12 -9.847 3.346 -1.541 1.00 0.00 C ATOM 0 H THR A 12 -10.563 1.018 -3.551 1.00 0.00 H new ATOM 0 HA THR A 12 -12.563 3.184 -3.634 1.00 0.00 H new ATOM 0 HB THR A 12 -11.960 3.070 -1.310 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.367 5.348 -1.259 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.716 3.854 -0.586 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.643 2.282 -1.417 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.156 3.765 -2.272 1.00 0.00 H new ATOM 193 N GLN A 13 -10.575 4.536 -4.793 1.00 0.00 N ATOM 194 CA GLN A 13 -9.881 5.145 -5.907 1.00 0.00 C ATOM 195 C GLN A 13 -9.307 6.480 -5.402 1.00 0.00 C ATOM 196 O GLN A 13 -9.873 7.065 -4.473 1.00 0.00 O ATOM 197 CB GLN A 13 -10.883 5.378 -7.046 1.00 0.00 C ATOM 198 CG GLN A 13 -11.691 4.166 -7.548 1.00 0.00 C ATOM 199 CD GLN A 13 -13.117 4.108 -6.994 1.00 0.00 C ATOM 200 OE1 GLN A 13 -13.423 3.403 -6.033 1.00 0.00 O ATOM 201 NE2 GLN A 13 -14.042 4.788 -7.637 1.00 0.00 N ATOM 0 H GLN A 13 -11.037 5.225 -4.199 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.078 4.512 -6.284 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -11.590 6.141 -6.720 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -10.337 5.791 -7.894 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.734 4.194 -8.637 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -11.166 3.251 -7.274 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -13.785 5.371 -8.433 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -15.016 4.732 -7.339 1.00 0.00 H new ATOM 210 N PRO A 14 -8.206 6.980 -5.974 1.00 0.00 N ATOM 211 CA PRO A 14 -7.532 8.186 -5.510 1.00 0.00 C ATOM 212 C PRO A 14 -8.323 9.423 -5.922 1.00 0.00 C ATOM 213 O PRO A 14 -9.077 9.395 -6.907 1.00 0.00 O ATOM 214 CB PRO A 14 -6.161 8.136 -6.183 1.00 0.00 C ATOM 215 CG PRO A 14 -6.468 7.458 -7.520 1.00 0.00 C ATOM 216 CD PRO A 14 -7.570 6.460 -7.165 1.00 0.00 C ATOM 0 HA PRO A 14 -7.443 8.238 -4.425 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.741 9.132 -6.321 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.442 7.566 -5.595 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.802 8.177 -8.268 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.590 6.958 -7.928 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.287 6.363 -7.980 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.156 5.468 -6.985 1.00 0.00 H new ATOM 224 N LEU A 15 -8.126 10.520 -5.194 1.00 0.00 N ATOM 225 CA LEU A 15 -8.705 11.798 -5.592 1.00 0.00 C ATOM 226 C LEU A 15 -7.759 12.521 -6.566 1.00 0.00 C ATOM 227 O LEU A 15 -6.585 12.148 -6.686 1.00 0.00 O ATOM 228 CB LEU A 15 -9.154 12.580 -4.346 1.00 0.00 C ATOM 229 CG LEU A 15 -8.113 13.443 -3.619 1.00 0.00 C ATOM 230 CD1 LEU A 15 -8.573 14.906 -3.642 1.00 0.00 C ATOM 231 CD2 LEU A 15 -7.999 13.069 -2.141 1.00 0.00 C ATOM 0 H LEU A 15 -7.576 10.549 -4.335 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.623 11.668 -6.165 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.979 13.229 -4.639 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.552 11.863 -3.628 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.159 13.288 -4.124 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.839 15.526 -3.128 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.671 15.241 -4.675 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.537 14.992 -3.140 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -7.252 13.702 -1.662 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.963 13.213 -1.654 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.700 12.025 -2.052 1.00 0.00 H new ATOM 243 N PRO A 16 -8.262 13.497 -7.338 1.00 0.00 N ATOM 244 CA PRO A 16 -7.438 14.367 -8.162 1.00 0.00 C ATOM 245 C PRO A 16 -6.803 15.434 -7.264 1.00 0.00 C ATOM 246 O PRO A 16 -6.971 15.414 -6.049 1.00 0.00 O ATOM 247 CB PRO A 16 -8.400 14.952 -9.197 1.00 0.00 C ATOM 248 CG PRO A 16 -9.763 14.924 -8.513 1.00 0.00 C ATOM 249 CD PRO A 16 -9.632 13.976 -7.333 1.00 0.00 C ATOM 0 HA PRO A 16 -6.614 13.860 -8.664 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.116 15.967 -9.473 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.404 14.362 -10.113 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.051 15.921 -8.180 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -10.536 14.583 -9.201 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -9.861 14.487 -6.398 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.333 13.146 -7.422 1.00 0.00 H new ATOM 257 N ASN A 17 -6.058 16.383 -7.823 1.00 0.00 N ATOM 258 CA ASN A 17 -5.319 17.448 -7.134 1.00 0.00 C ATOM 259 C ASN A 17 -4.158 16.930 -6.275 1.00 0.00 C ATOM 260 O ASN A 17 -3.188 17.665 -6.073 1.00 0.00 O ATOM 261 CB ASN A 17 -6.194 18.345 -6.233 1.00 0.00 C ATOM 262 CG ASN A 17 -7.674 18.480 -6.557 1.00 0.00 C ATOM 263 OD1 ASN A 17 -8.086 18.637 -7.706 1.00 0.00 O ATOM 264 ND2 ASN A 17 -8.503 18.470 -5.528 1.00 0.00 N ATOM 0 H ASN A 17 -5.944 16.436 -8.835 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.933 18.041 -7.963 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.111 17.970 -5.213 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -5.761 19.345 -6.241 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.504 18.594 -5.678 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -8.142 18.338 -4.583 1.00 0.00 H new ATOM 271 N ALA A 18 -4.271 15.711 -5.742 1.00 0.00 N ATOM 272 CA ALA A 18 -3.264 14.996 -4.985 1.00 0.00 C ATOM 273 C ALA A 18 -1.927 15.006 -5.725 1.00 0.00 C ATOM 274 O ALA A 18 -1.885 15.014 -6.959 1.00 0.00 O ATOM 275 CB ALA A 18 -3.775 13.567 -4.784 1.00 0.00 C ATOM 0 H ALA A 18 -5.129 15.169 -5.840 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.094 15.474 -4.020 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.042 12.995 -4.216 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.718 13.591 -4.238 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.930 13.096 -5.755 1.00 0.00 H new ATOM 281 N SER A 19 -0.834 14.962 -4.978 1.00 0.00 N ATOM 282 CA SER A 19 0.508 14.799 -5.493 1.00 0.00 C ATOM 283 C SER A 19 1.255 14.017 -4.440 1.00 0.00 C ATOM 284 O SER A 19 0.929 14.061 -3.255 1.00 0.00 O ATOM 285 CB SER A 19 1.173 16.159 -5.746 1.00 0.00 C ATOM 286 OG SER A 19 2.530 16.055 -6.146 1.00 0.00 O ATOM 0 H SER A 19 -0.863 15.042 -3.962 1.00 0.00 H new ATOM 0 HA SER A 19 0.507 14.280 -6.452 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.614 16.691 -6.516 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.114 16.759 -4.838 1.00 0.00 H new ATOM 0 HG SER A 19 3.073 15.754 -5.387 1.00 0.00 H new ATOM 292 N PHE A 20 2.264 13.299 -4.900 1.00 0.00 N ATOM 293 CA PHE A 20 3.202 12.680 -4.006 1.00 0.00 C ATOM 294 C PHE A 20 3.941 13.770 -3.228 1.00 0.00 C ATOM 295 O PHE A 20 4.118 14.893 -3.721 1.00 0.00 O ATOM 296 CB PHE A 20 4.143 11.785 -4.813 1.00 0.00 C ATOM 297 CG PHE A 20 5.155 11.013 -4.001 1.00 0.00 C ATOM 298 CD1 PHE A 20 4.816 10.439 -2.763 1.00 0.00 C ATOM 299 CD2 PHE A 20 6.462 10.885 -4.486 1.00 0.00 C ATOM 300 CE1 PHE A 20 5.793 9.784 -1.996 1.00 0.00 C ATOM 301 CE2 PHE A 20 7.422 10.192 -3.743 1.00 0.00 C ATOM 302 CZ PHE A 20 7.099 9.660 -2.484 1.00 0.00 C ATOM 0 H PHE A 20 2.447 13.135 -5.890 1.00 0.00 H new ATOM 0 HA PHE A 20 2.696 12.046 -3.278 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.543 11.076 -5.384 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.677 12.404 -5.534 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.801 10.502 -2.401 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.729 11.323 -5.436 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.537 9.376 -1.029 1.00 0.00 H new ATOM 0 HE2 PHE A 20 8.418 10.065 -4.140 1.00 0.00 H new ATOM 0 HZ PHE A 20 7.853 9.158 -1.896 1.00 0.00 H new ATOM 312 N ASP A 21 4.386 13.405 -2.030 1.00 0.00 N ATOM 313 CA ASP A 21 4.949 14.256 -0.997 1.00 0.00 C ATOM 314 C ASP A 21 6.257 13.607 -0.544 1.00 0.00 C ATOM 315 O ASP A 21 6.609 12.509 -0.977 1.00 0.00 O ATOM 316 CB ASP A 21 4.011 14.345 0.227 1.00 0.00 C ATOM 317 CG ASP A 21 2.535 14.603 -0.074 1.00 0.00 C ATOM 318 OD1 ASP A 21 2.171 15.797 -0.174 1.00 0.00 O ATOM 319 OD2 ASP A 21 1.765 13.614 -0.092 1.00 0.00 O ATOM 0 H ASP A 21 4.358 12.428 -1.737 1.00 0.00 H new ATOM 0 HA ASP A 21 5.096 15.260 -1.395 1.00 0.00 H new ATOM 0 HB2 ASP A 21 4.089 13.413 0.787 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.372 15.140 0.879 1.00 0.00 H new ATOM 324 N ASN A 22 6.953 14.206 0.415 1.00 0.00 N ATOM 325 CA ASN A 22 8.093 13.588 1.089 1.00 0.00 C ATOM 326 C ASN A 22 7.675 12.501 2.087 1.00 0.00 C ATOM 327 O ASN A 22 8.401 12.265 3.055 1.00 0.00 O ATOM 328 CB ASN A 22 8.942 14.662 1.783 1.00 0.00 C ATOM 329 CG ASN A 22 9.809 15.410 0.802 1.00 0.00 C ATOM 330 OD1 ASN A 22 9.605 16.602 0.583 1.00 0.00 O ATOM 331 ND2 ASN A 22 10.769 14.710 0.225 1.00 0.00 N ATOM 0 H ASN A 22 6.741 15.145 0.752 1.00 0.00 H new ATOM 0 HA ASN A 22 8.690 13.094 0.322 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.288 15.365 2.300 1.00 0.00 H new ATOM 0 HB3 ASN A 22 9.571 14.195 2.541 1.00 0.00 H new ATOM 0 HD21 ASN A 22 11.394 15.157 -0.446 1.00 0.00 H new ATOM 0 HD22 ASN A 22 10.886 13.722 0.450 1.00 0.00 H new ATOM 338 N PHE A 23 6.520 11.844 1.948 1.00 0.00 N ATOM 339 CA PHE A 23 6.314 10.646 2.751 1.00 0.00 C ATOM 340 C PHE A 23 7.198 9.539 2.179 1.00 0.00 C ATOM 341 O PHE A 23 7.227 9.294 0.975 1.00 0.00 O ATOM 342 CB PHE A 23 4.835 10.265 2.901 1.00 0.00 C ATOM 343 CG PHE A 23 4.141 9.720 1.677 1.00 0.00 C ATOM 344 CD1 PHE A 23 4.362 8.394 1.255 1.00 0.00 C ATOM 345 CD2 PHE A 23 3.226 10.532 0.988 1.00 0.00 C ATOM 346 CE1 PHE A 23 3.695 7.893 0.129 1.00 0.00 C ATOM 347 CE2 PHE A 23 2.567 10.037 -0.141 1.00 0.00 C ATOM 348 CZ PHE A 23 2.815 8.722 -0.580 1.00 0.00 C ATOM 0 H PHE A 23 5.756 12.104 1.324 1.00 0.00 H new ATOM 0 HA PHE A 23 6.617 10.833 3.781 1.00 0.00 H new ATOM 0 HB2 PHE A 23 4.755 9.522 3.695 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.290 11.148 3.235 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.047 7.762 1.801 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.032 11.538 1.330 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.858 6.874 -0.190 1.00 0.00 H new ATOM 0 HE2 PHE A 23 1.868 10.663 -0.676 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.325 8.350 -1.468 1.00 0.00 H new ATOM 358 N LYS A 24 7.944 8.880 3.054 1.00 0.00 N ATOM 359 CA LYS A 24 8.580 7.606 2.785 1.00 0.00 C ATOM 360 C LYS A 24 7.628 6.522 3.271 1.00 0.00 C ATOM 361 O LYS A 24 6.849 6.753 4.199 1.00 0.00 O ATOM 362 CB LYS A 24 9.931 7.594 3.513 1.00 0.00 C ATOM 363 CG LYS A 24 10.555 6.206 3.619 1.00 0.00 C ATOM 364 CD LYS A 24 12.080 6.182 3.809 1.00 0.00 C ATOM 365 CE LYS A 24 12.525 4.984 2.945 1.00 0.00 C ATOM 366 NZ LYS A 24 13.976 4.835 2.767 1.00 0.00 N ATOM 0 H LYS A 24 8.126 9.229 3.995 1.00 0.00 H new ATOM 0 HA LYS A 24 8.779 7.434 1.727 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.622 8.255 2.990 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.798 8.001 4.515 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.093 5.681 4.456 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.309 5.646 2.717 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.542 7.112 3.476 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.353 6.047 4.856 1.00 0.00 H new ATOM 0 HE2 LYS A 24 12.136 4.070 3.395 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.064 5.077 1.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 14.165 4.101 2.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.381 5.739 2.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 14.410 4.559 3.671 1.00 0.00 H new ATOM 380 N LEU A 25 7.728 5.326 2.699 1.00 0.00 N ATOM 381 CA LEU A 25 7.075 4.130 3.223 1.00 0.00 C ATOM 382 C LEU A 25 8.114 3.327 4.005 1.00 0.00 C ATOM 383 O LEU A 25 9.284 3.286 3.611 1.00 0.00 O ATOM 384 CB LEU A 25 6.445 3.318 2.079 1.00 0.00 C ATOM 385 CG LEU A 25 5.480 4.176 1.223 1.00 0.00 C ATOM 386 CD1 LEU A 25 6.123 4.575 -0.113 1.00 0.00 C ATOM 387 CD2 LEU A 25 4.161 3.453 0.963 1.00 0.00 C ATOM 0 H LEU A 25 8.269 5.158 1.851 1.00 0.00 H new ATOM 0 HA LEU A 25 6.259 4.396 3.895 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.233 2.915 1.443 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.904 2.467 2.493 1.00 0.00 H new ATOM 0 HG LEU A 25 5.271 5.079 1.797 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.420 5.176 -0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.026 5.155 0.077 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.380 3.677 -0.676 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.511 4.087 0.360 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.355 2.522 0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.673 3.233 1.913 1.00 0.00 H new ATOM 399 N THR A 26 7.724 2.672 5.093 1.00 0.00 N ATOM 400 CA THR A 26 8.589 1.836 5.915 1.00 0.00 C ATOM 401 C THR A 26 7.840 0.555 6.298 1.00 0.00 C ATOM 402 O THR A 26 6.623 0.462 6.144 1.00 0.00 O ATOM 403 CB THR A 26 9.108 2.613 7.142 1.00 0.00 C ATOM 404 OG1 THR A 26 8.070 2.920 8.053 1.00 0.00 O ATOM 405 CG2 THR A 26 9.834 3.908 6.770 1.00 0.00 C ATOM 0 H THR A 26 6.765 2.710 5.438 1.00 0.00 H new ATOM 0 HA THR A 26 9.473 1.550 5.345 1.00 0.00 H new ATOM 0 HB THR A 26 9.824 1.941 7.616 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.891 3.883 8.033 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.174 4.408 7.677 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.692 3.676 6.140 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.153 4.564 6.228 1.00 0.00 H new ATOM 413 N CYS A 27 8.554 -0.462 6.771 1.00 0.00 N ATOM 414 CA CYS A 27 8.022 -1.744 7.204 1.00 0.00 C ATOM 415 C CYS A 27 9.163 -2.502 7.895 1.00 0.00 C ATOM 416 O CYS A 27 10.341 -2.165 7.723 1.00 0.00 O ATOM 417 CB CYS A 27 7.515 -2.488 5.951 1.00 0.00 C ATOM 418 SG CYS A 27 6.831 -4.141 6.267 1.00 0.00 S ATOM 0 H CYS A 27 9.568 -0.409 6.866 1.00 0.00 H new ATOM 0 HA CYS A 27 7.193 -1.644 7.904 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.749 -1.880 5.470 1.00 0.00 H new ATOM 0 HB3 CYS A 27 8.339 -2.581 5.243 1.00 0.00 H new ATOM 0 HG CYS A 27 6.168 -4.543 5.223 1.00 0.00 H new ATOM 424 N SER A 28 8.813 -3.575 8.607 1.00 0.00 N ATOM 425 CA SER A 28 9.719 -4.658 8.954 1.00 0.00 C ATOM 426 C SER A 28 10.476 -5.101 7.700 1.00 0.00 C ATOM 427 O SER A 28 11.695 -4.947 7.633 1.00 0.00 O ATOM 428 CB SER A 28 8.928 -5.806 9.575 1.00 0.00 C ATOM 429 OG SER A 28 8.561 -5.523 10.914 1.00 0.00 O ATOM 0 H SER A 28 7.868 -3.713 8.964 1.00 0.00 H new ATOM 0 HA SER A 28 10.450 -4.323 9.690 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.032 -5.993 8.983 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.525 -6.717 9.546 1.00 0.00 H new ATOM 0 HG SER A 28 8.055 -6.278 11.281 1.00 0.00 H new ATOM 435 N ASN A 29 9.754 -5.604 6.689 1.00 0.00 N ATOM 436 CA ASN A 29 10.376 -6.061 5.456 1.00 0.00 C ATOM 437 C ASN A 29 10.937 -4.871 4.689 1.00 0.00 C ATOM 438 O ASN A 29 10.178 -4.042 4.179 1.00 0.00 O ATOM 439 CB ASN A 29 9.425 -6.871 4.572 1.00 0.00 C ATOM 440 CG ASN A 29 10.266 -7.533 3.483 1.00 0.00 C ATOM 441 OD1 ASN A 29 10.847 -6.882 2.622 1.00 0.00 O ATOM 442 ND2 ASN A 29 10.439 -8.835 3.562 1.00 0.00 N ATOM 0 H ASN A 29 8.739 -5.701 6.709 1.00 0.00 H new ATOM 0 HA ASN A 29 11.186 -6.735 5.734 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.900 -7.623 5.161 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.666 -6.224 4.131 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.059 -9.308 2.905 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.953 -9.371 4.281 1.00 0.00 H new ATOM 449 N THR A 30 12.260 -4.794 4.613 1.00 0.00 N ATOM 450 CA THR A 30 12.974 -3.701 3.977 1.00 0.00 C ATOM 451 C THR A 30 12.648 -3.657 2.480 1.00 0.00 C ATOM 452 O THR A 30 12.140 -2.640 2.014 1.00 0.00 O ATOM 453 CB THR A 30 14.471 -3.855 4.282 1.00 0.00 C ATOM 454 OG1 THR A 30 14.899 -5.159 3.943 1.00 0.00 O ATOM 455 CG2 THR A 30 14.755 -3.649 5.774 1.00 0.00 C ATOM 0 H THR A 30 12.877 -5.507 5.001 1.00 0.00 H new ATOM 0 HA THR A 30 12.657 -2.737 4.375 1.00 0.00 H new ATOM 0 HB THR A 30 15.003 -3.104 3.698 1.00 0.00 H new ATOM 0 HG1 THR A 30 15.855 -5.251 4.138 1.00 0.00 H new ATOM 0 HG21 THR A 30 15.823 -3.764 5.960 1.00 0.00 H new ATOM 0 HG22 THR A 30 14.441 -2.648 6.069 1.00 0.00 H new ATOM 0 HG23 THR A 30 14.204 -4.388 6.355 1.00 0.00 H new ATOM 463 N LYS A 31 12.862 -4.761 1.740 1.00 0.00 N ATOM 464 CA LYS A 31 12.530 -4.881 0.312 1.00 0.00 C ATOM 465 C LYS A 31 11.141 -4.342 0.047 1.00 0.00 C ATOM 466 O LYS A 31 10.992 -3.579 -0.900 1.00 0.00 O ATOM 467 CB LYS A 31 12.672 -6.330 -0.215 1.00 0.00 C ATOM 468 CG LYS A 31 11.742 -6.761 -1.372 1.00 0.00 C ATOM 469 CD LYS A 31 11.978 -6.044 -2.709 1.00 0.00 C ATOM 470 CE LYS A 31 12.962 -6.826 -3.579 1.00 0.00 C ATOM 471 NZ LYS A 31 12.890 -6.409 -4.991 1.00 0.00 N ATOM 0 H LYS A 31 13.278 -5.608 2.127 1.00 0.00 H new ATOM 0 HA LYS A 31 13.255 -4.280 -0.237 1.00 0.00 H new ATOM 0 HB2 LYS A 31 13.703 -6.470 -0.541 1.00 0.00 H new ATOM 0 HB3 LYS A 31 12.507 -7.010 0.621 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.858 -7.833 -1.529 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.709 -6.594 -1.067 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.031 -5.929 -3.237 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.365 -5.042 -2.526 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.975 -6.677 -3.207 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.748 -7.892 -3.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.571 -6.961 -5.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.929 -6.575 -5.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.119 -5.397 -5.066 1.00 0.00 H new ATOM 485 N PHE A 32 10.134 -4.757 0.819 1.00 0.00 N ATOM 486 CA PHE A 32 8.771 -4.356 0.523 1.00 0.00 C ATOM 487 C PHE A 32 8.645 -2.843 0.434 1.00 0.00 C ATOM 488 O PHE A 32 8.203 -2.318 -0.587 1.00 0.00 O ATOM 489 CB PHE A 32 7.826 -4.884 1.589 1.00 0.00 C ATOM 490 CG PHE A 32 6.372 -4.674 1.231 1.00 0.00 C ATOM 491 CD1 PHE A 32 5.854 -5.315 0.093 1.00 0.00 C ATOM 492 CD2 PHE A 32 5.513 -3.940 2.069 1.00 0.00 C ATOM 493 CE1 PHE A 32 4.479 -5.278 -0.188 1.00 0.00 C ATOM 494 CE2 PHE A 32 4.141 -3.879 1.771 1.00 0.00 C ATOM 495 CZ PHE A 32 3.619 -4.555 0.653 1.00 0.00 C ATOM 0 H PHE A 32 10.240 -5.358 1.636 1.00 0.00 H new ATOM 0 HA PHE A 32 8.503 -4.780 -0.445 1.00 0.00 H new ATOM 0 HB2 PHE A 32 8.010 -5.948 1.738 1.00 0.00 H new ATOM 0 HB3 PHE A 32 8.039 -4.388 2.536 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.521 -5.842 -0.573 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.905 -3.427 2.935 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.085 -5.803 -1.046 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.481 -3.308 2.407 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.560 -4.518 0.443 1.00 0.00 H new ATOM 505 N ALA A 33 9.035 -2.157 1.508 1.00 0.00 N ATOM 506 CA ALA A 33 8.910 -0.718 1.577 1.00 0.00 C ATOM 507 C ALA A 33 9.837 -0.055 0.561 1.00 0.00 C ATOM 508 O ALA A 33 9.504 0.987 0.012 1.00 0.00 O ATOM 509 CB ALA A 33 9.234 -0.266 2.997 1.00 0.00 C ATOM 0 H ALA A 33 9.440 -2.585 2.340 1.00 0.00 H new ATOM 0 HA ALA A 33 7.891 -0.420 1.332 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.144 0.818 3.063 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.538 -0.732 3.695 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.252 -0.561 3.249 1.00 0.00 H new ATOM 515 N ASP A 34 11.003 -0.634 0.305 1.00 0.00 N ATOM 516 CA ASP A 34 12.028 -0.056 -0.559 1.00 0.00 C ATOM 517 C ASP A 34 11.602 -0.096 -2.027 1.00 0.00 C ATOM 518 O ASP A 34 11.771 0.886 -2.743 1.00 0.00 O ATOM 519 CB ASP A 34 13.350 -0.799 -0.342 1.00 0.00 C ATOM 520 CG ASP A 34 14.554 -0.026 -0.863 1.00 0.00 C ATOM 521 OD1 ASP A 34 14.620 1.210 -0.652 1.00 0.00 O ATOM 522 OD2 ASP A 34 15.537 -0.668 -1.300 1.00 0.00 O ATOM 0 H ASP A 34 11.269 -1.536 0.699 1.00 0.00 H new ATOM 0 HA ASP A 34 12.164 0.993 -0.297 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.482 -0.993 0.722 1.00 0.00 H new ATOM 0 HB3 ASP A 34 13.303 -1.768 -0.840 1.00 0.00 H new ATOM 527 N ASP A 35 10.993 -1.205 -2.452 1.00 0.00 N ATOM 528 CA ASP A 35 10.387 -1.398 -3.769 1.00 0.00 C ATOM 529 C ASP A 35 9.200 -0.442 -3.941 1.00 0.00 C ATOM 530 O ASP A 35 9.069 0.226 -4.968 1.00 0.00 O ATOM 531 CB ASP A 35 9.984 -2.868 -3.929 1.00 0.00 C ATOM 532 CG ASP A 35 9.781 -3.316 -5.382 1.00 0.00 C ATOM 533 OD1 ASP A 35 9.536 -2.494 -6.290 1.00 0.00 O ATOM 534 OD2 ASP A 35 9.936 -4.534 -5.648 1.00 0.00 O ATOM 0 H ASP A 35 10.905 -2.030 -1.859 1.00 0.00 H new ATOM 0 HA ASP A 35 11.103 -1.163 -4.556 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.751 -3.494 -3.473 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.061 -3.041 -3.376 1.00 0.00 H new ATOM 539 N LEU A 36 8.383 -0.283 -2.893 1.00 0.00 N ATOM 540 CA LEU A 36 7.298 0.694 -2.890 1.00 0.00 C ATOM 541 C LEU A 36 7.846 2.119 -3.061 1.00 0.00 C ATOM 542 O LEU A 36 7.344 2.866 -3.906 1.00 0.00 O ATOM 543 CB LEU A 36 6.442 0.580 -1.615 1.00 0.00 C ATOM 544 CG LEU A 36 5.524 -0.658 -1.584 1.00 0.00 C ATOM 545 CD1 LEU A 36 4.953 -0.864 -0.179 1.00 0.00 C ATOM 546 CD2 LEU A 36 4.360 -0.529 -2.574 1.00 0.00 C ATOM 0 H LEU A 36 8.457 -0.825 -2.032 1.00 0.00 H new ATOM 0 HA LEU A 36 6.651 0.475 -3.740 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.102 0.552 -0.748 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.829 1.476 -1.520 1.00 0.00 H new ATOM 0 HG LEU A 36 6.134 -1.514 -1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.307 -1.742 -0.174 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.770 -1.010 0.528 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.375 0.013 0.111 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.737 -1.422 -2.521 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.762 0.346 -2.321 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.753 -0.420 -3.585 1.00 0.00 H new ATOM 558 N ASN A 37 8.893 2.498 -2.314 1.00 0.00 N ATOM 559 CA ASN A 37 9.532 3.805 -2.420 1.00 0.00 C ATOM 560 C ASN A 37 10.164 4.011 -3.802 1.00 0.00 C ATOM 561 O ASN A 37 10.359 5.150 -4.236 1.00 0.00 O ATOM 562 CB ASN A 37 10.617 3.951 -1.343 1.00 0.00 C ATOM 563 CG ASN A 37 10.089 4.333 0.032 1.00 0.00 C ATOM 564 OD1 ASN A 37 9.599 5.430 0.266 1.00 0.00 O ATOM 565 ND2 ASN A 37 10.202 3.439 0.992 1.00 0.00 N ATOM 0 H ASN A 37 9.320 1.893 -1.612 1.00 0.00 H new ATOM 0 HA ASN A 37 8.760 4.561 -2.276 1.00 0.00 H new ATOM 0 HB2 ASN A 37 11.160 3.010 -1.262 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.334 4.706 -1.666 1.00 0.00 H new ATOM 0 HD21 ASN A 37 9.881 3.659 1.935 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.611 2.526 0.793 1.00 0.00 H new ATOM 572 N GLN A 38 10.510 2.938 -4.511 1.00 0.00 N ATOM 573 CA GLN A 38 11.089 2.982 -5.835 1.00 0.00 C ATOM 574 C GLN A 38 10.021 3.360 -6.861 1.00 0.00 C ATOM 575 O GLN A 38 10.286 4.235 -7.692 1.00 0.00 O ATOM 576 CB GLN A 38 11.727 1.614 -6.107 1.00 0.00 C ATOM 577 CG GLN A 38 13.232 1.571 -5.844 1.00 0.00 C ATOM 578 CD GLN A 38 14.030 1.453 -7.136 1.00 0.00 C ATOM 579 OE1 GLN A 38 13.776 0.573 -7.952 1.00 0.00 O ATOM 580 NE2 GLN A 38 14.999 2.317 -7.365 1.00 0.00 N ATOM 0 H GLN A 38 10.388 1.988 -4.161 1.00 0.00 H new ATOM 0 HA GLN A 38 11.863 3.746 -5.911 1.00 0.00 H new ATOM 0 HB2 GLN A 38 11.237 0.865 -5.484 1.00 0.00 H new ATOM 0 HB3 GLN A 38 11.541 1.337 -7.145 1.00 0.00 H new ATOM 0 HG2 GLN A 38 13.534 2.473 -5.312 1.00 0.00 H new ATOM 0 HG3 GLN A 38 13.463 0.726 -5.196 1.00 0.00 H new ATOM 0 HE21 GLN A 38 15.204 3.046 -6.682 1.00 0.00 H new ATOM 0 HE22 GLN A 38 15.543 2.257 -8.225 1.00 0.00 H new ATOM 589 N MET A 39 8.817 2.776 -6.768 1.00 0.00 N ATOM 590 CA MET A 39 7.716 3.027 -7.691 1.00 0.00 C ATOM 591 C MET A 39 7.315 4.503 -7.718 1.00 0.00 C ATOM 592 O MET A 39 6.860 5.001 -8.747 1.00 0.00 O ATOM 593 CB MET A 39 6.505 2.190 -7.268 1.00 0.00 C ATOM 594 CG MET A 39 6.729 0.677 -7.365 1.00 0.00 C ATOM 595 SD MET A 39 5.665 -0.333 -6.285 1.00 0.00 S ATOM 596 CE MET A 39 4.027 0.402 -6.539 1.00 0.00 C ATOM 0 H MET A 39 8.584 2.106 -6.035 1.00 0.00 H new ATOM 0 HA MET A 39 8.050 2.751 -8.691 1.00 0.00 H new ATOM 0 HB2 MET A 39 6.242 2.443 -6.241 1.00 0.00 H new ATOM 0 HB3 MET A 39 5.653 2.462 -7.891 1.00 0.00 H new ATOM 0 HG2 MET A 39 6.570 0.367 -8.398 1.00 0.00 H new ATOM 0 HG3 MET A 39 7.771 0.464 -7.125 1.00 0.00 H new ATOM 0 HE1 MET A 39 3.439 0.303 -5.627 1.00 0.00 H new ATOM 0 HE2 MET A 39 4.136 1.458 -6.788 1.00 0.00 H new ATOM 0 HE3 MET A 39 3.520 -0.113 -7.355 1.00 0.00 H new ATOM 606 N THR A 40 7.458 5.207 -6.598 1.00 0.00 N ATOM 607 CA THR A 40 7.144 6.622 -6.480 1.00 0.00 C ATOM 608 C THR A 40 8.397 7.509 -6.501 1.00 0.00 C ATOM 609 O THR A 40 8.277 8.724 -6.400 1.00 0.00 O ATOM 610 CB THR A 40 6.284 6.781 -5.227 1.00 0.00 C ATOM 611 OG1 THR A 40 5.615 8.018 -5.214 1.00 0.00 O ATOM 612 CG2 THR A 40 7.060 6.529 -3.926 1.00 0.00 C ATOM 0 H THR A 40 7.803 4.797 -5.730 1.00 0.00 H new ATOM 0 HA THR A 40 6.583 6.970 -7.347 1.00 0.00 H new ATOM 0 HB THR A 40 5.526 5.999 -5.274 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.197 8.700 -4.818 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.393 6.658 -3.074 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.454 5.513 -3.928 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.885 7.238 -3.851 1.00 0.00 H new ATOM 620 N GLY A 41 9.599 6.940 -6.625 1.00 0.00 N ATOM 621 CA GLY A 41 10.820 7.726 -6.742 1.00 0.00 C ATOM 622 C GLY A 41 11.138 8.602 -5.530 1.00 0.00 C ATOM 623 O GLY A 41 11.860 9.586 -5.703 1.00 0.00 O ATOM 0 H GLY A 41 9.748 5.931 -6.647 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.657 7.048 -6.912 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.742 8.363 -7.623 1.00 0.00 H new ATOM 627 N PHE A 42 10.634 8.217 -4.351 1.00 0.00 N ATOM 628 CA PHE A 42 10.722 8.859 -3.040 1.00 0.00 C ATOM 629 C PHE A 42 12.004 9.677 -2.844 1.00 0.00 C ATOM 630 O PHE A 42 13.112 9.162 -3.029 1.00 0.00 O ATOM 631 CB PHE A 42 10.529 7.764 -1.974 1.00 0.00 C ATOM 632 CG PHE A 42 11.255 8.042 -0.683 1.00 0.00 C ATOM 633 CD1 PHE A 42 10.904 9.159 0.092 1.00 0.00 C ATOM 634 CD2 PHE A 42 12.397 7.285 -0.362 1.00 0.00 C ATOM 635 CE1 PHE A 42 11.756 9.572 1.117 1.00 0.00 C ATOM 636 CE2 PHE A 42 13.210 7.662 0.714 1.00 0.00 C ATOM 637 CZ PHE A 42 12.902 8.827 1.438 1.00 0.00 C ATOM 0 H PHE A 42 10.096 7.353 -4.290 1.00 0.00 H new ATOM 0 HA PHE A 42 9.934 9.606 -2.947 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.465 7.655 -1.766 1.00 0.00 H new ATOM 0 HB3 PHE A 42 10.874 6.812 -2.377 1.00 0.00 H new ATOM 0 HD1 PHE A 42 9.985 9.692 -0.103 1.00 0.00 H new ATOM 0 HD2 PHE A 42 12.647 6.412 -0.946 1.00 0.00 H new ATOM 0 HE1 PHE A 42 11.532 10.473 1.669 1.00 0.00 H new ATOM 0 HE2 PHE A 42 14.067 7.063 0.985 1.00 0.00 H new ATOM 0 HZ PHE A 42 13.547 9.149 2.242 1.00 0.00 H new ATOM 647 N THR A 43 11.871 10.930 -2.407 1.00 0.00 N ATOM 648 CA THR A 43 12.969 11.868 -2.253 1.00 0.00 C ATOM 649 C THR A 43 13.055 12.242 -0.772 1.00 0.00 C ATOM 650 O THR A 43 12.050 12.300 -0.061 1.00 0.00 O ATOM 651 CB THR A 43 12.704 13.059 -3.194 1.00 0.00 C ATOM 652 OG1 THR A 43 12.477 12.598 -4.518 1.00 0.00 O ATOM 653 CG2 THR A 43 13.903 14.000 -3.283 1.00 0.00 C ATOM 0 H THR A 43 10.968 11.326 -2.145 1.00 0.00 H new ATOM 0 HA THR A 43 13.938 11.455 -2.532 1.00 0.00 H new ATOM 0 HB THR A 43 11.840 13.580 -2.782 1.00 0.00 H new ATOM 0 HG1 THR A 43 12.308 13.363 -5.106 1.00 0.00 H new ATOM 0 HG21 THR A 43 13.670 14.824 -3.957 1.00 0.00 H new ATOM 0 HG22 THR A 43 14.130 14.395 -2.293 1.00 0.00 H new ATOM 0 HG23 THR A 43 14.767 13.454 -3.663 1.00 0.00 H new ATOM 661 N LYS A 44 14.272 12.436 -0.266 1.00 0.00 N ATOM 662 CA LYS A 44 14.524 12.881 1.088 1.00 0.00 C ATOM 663 C LYS A 44 14.644 14.407 1.116 1.00 0.00 C ATOM 664 O LYS A 44 14.870 15.022 0.072 1.00 0.00 O ATOM 665 CB LYS A 44 15.800 12.196 1.602 1.00 0.00 C ATOM 666 CG LYS A 44 15.448 10.941 2.401 1.00 0.00 C ATOM 667 CD LYS A 44 16.471 10.477 3.435 1.00 0.00 C ATOM 668 CE LYS A 44 16.982 11.579 4.371 1.00 0.00 C ATOM 669 NZ LYS A 44 17.798 11.053 5.480 1.00 0.00 N ATOM 0 H LYS A 44 15.124 12.282 -0.805 1.00 0.00 H new ATOM 0 HA LYS A 44 13.697 12.607 1.744 1.00 0.00 H new ATOM 0 HB2 LYS A 44 16.442 11.931 0.762 1.00 0.00 H new ATOM 0 HB3 LYS A 44 16.364 12.887 2.228 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.502 11.118 2.914 1.00 0.00 H new ATOM 0 HG3 LYS A 44 15.281 10.125 1.697 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.025 9.686 4.037 1.00 0.00 H new ATOM 0 HD3 LYS A 44 17.322 10.039 2.913 1.00 0.00 H new ATOM 0 HE2 LYS A 44 17.574 12.292 3.797 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.132 12.126 4.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 18.117 11.840 6.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.229 10.393 6.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.626 10.554 5.096 1.00 0.00 H new ATOM 683 N PRO A 45 14.577 15.009 2.309 1.00 0.00 N ATOM 684 CA PRO A 45 14.334 14.335 3.578 1.00 0.00 C ATOM 685 C PRO A 45 12.895 13.835 3.677 1.00 0.00 C ATOM 686 O PRO A 45 11.978 14.588 3.346 1.00 0.00 O ATOM 687 CB PRO A 45 14.553 15.394 4.647 1.00 0.00 C ATOM 688 CG PRO A 45 15.214 16.576 3.945 1.00 0.00 C ATOM 689 CD PRO A 45 14.738 16.432 2.510 1.00 0.00 C ATOM 0 HA PRO A 45 14.990 13.471 3.685 1.00 0.00 H new ATOM 0 HB2 PRO A 45 13.607 15.690 5.101 1.00 0.00 H new ATOM 0 HB3 PRO A 45 15.186 15.013 5.448 1.00 0.00 H new ATOM 0 HG2 PRO A 45 14.905 17.527 4.379 1.00 0.00 H new ATOM 0 HG3 PRO A 45 16.301 16.531 4.016 1.00 0.00 H new ATOM 0 HD2 PRO A 45 13.799 16.962 2.351 1.00 0.00 H new ATOM 0 HD3 PRO A 45 15.462 16.850 1.810 1.00 0.00 H new ATOM 697 N ALA A 46 12.672 12.584 4.103 1.00 0.00 N ATOM 698 CA ALA A 46 11.312 12.109 4.209 1.00 0.00 C ATOM 699 C ALA A 46 10.623 12.752 5.416 1.00 0.00 C ATOM 700 O ALA A 46 10.996 12.471 6.557 1.00 0.00 O ATOM 701 CB ALA A 46 11.259 10.595 4.265 1.00 0.00 C ATOM 0 H ALA A 46 13.395 11.915 4.368 1.00 0.00 H new ATOM 0 HA ALA A 46 10.768 12.407 3.313 1.00 0.00 H new ATOM 0 HB1 ALA A 46 10.222 10.270 4.345 1.00 0.00 H new ATOM 0 HB2 ALA A 46 11.700 10.182 3.358 1.00 0.00 H new ATOM 0 HB3 ALA A 46 11.817 10.243 5.133 1.00 0.00 H new ATOM 707 N SER A 47 9.629 13.605 5.177 1.00 0.00 N ATOM 708 CA SER A 47 8.903 14.291 6.232 1.00 0.00 C ATOM 709 C SER A 47 8.117 13.344 7.138 1.00 0.00 C ATOM 710 O SER A 47 7.962 13.656 8.321 1.00 0.00 O ATOM 711 CB SER A 47 7.943 15.333 5.645 1.00 0.00 C ATOM 712 OG SER A 47 8.520 16.621 5.738 1.00 0.00 O ATOM 0 H SER A 47 9.306 13.838 4.238 1.00 0.00 H new ATOM 0 HA SER A 47 9.662 14.780 6.843 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.727 15.096 4.603 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.994 15.310 6.181 1.00 0.00 H new ATOM 0 HG SER A 47 7.904 17.283 5.360 1.00 0.00 H new ATOM 718 N ARG A 48 7.618 12.224 6.617 1.00 0.00 N ATOM 719 CA ARG A 48 6.899 11.205 7.378 1.00 0.00 C ATOM 720 C ARG A 48 7.318 9.840 6.845 1.00 0.00 C ATOM 721 O ARG A 48 7.827 9.765 5.724 1.00 0.00 O ATOM 722 CB ARG A 48 5.368 11.426 7.357 1.00 0.00 C ATOM 723 CG ARG A 48 4.814 12.081 6.084 1.00 0.00 C ATOM 724 CD ARG A 48 3.287 11.957 5.966 1.00 0.00 C ATOM 725 NE ARG A 48 2.747 12.834 4.910 1.00 0.00 N ATOM 726 CZ ARG A 48 1.473 12.927 4.500 1.00 0.00 C ATOM 727 NH1 ARG A 48 0.543 12.100 4.980 1.00 0.00 N ATOM 728 NH2 ARG A 48 1.136 13.848 3.599 1.00 0.00 N ATOM 0 H ARG A 48 7.705 11.995 5.627 1.00 0.00 H new ATOM 0 HA ARG A 48 7.165 11.271 8.433 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.877 10.462 7.492 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.096 12.045 8.212 1.00 0.00 H new ATOM 0 HG2 ARG A 48 5.090 13.135 6.074 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.280 11.621 5.212 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.022 10.922 5.750 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.827 12.211 6.921 1.00 0.00 H new ATOM 0 HE ARG A 48 3.419 13.439 4.438 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.798 11.389 5.665 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.423 12.179 4.662 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.845 14.478 3.224 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.169 13.923 3.284 1.00 0.00 H new ATOM 742 N GLU A 49 7.117 8.774 7.616 1.00 0.00 N ATOM 743 CA GLU A 49 7.682 7.454 7.334 1.00 0.00 C ATOM 744 C GLU A 49 6.669 6.368 7.695 1.00 0.00 C ATOM 745 O GLU A 49 6.682 5.799 8.785 1.00 0.00 O ATOM 746 CB GLU A 49 9.009 7.251 8.068 1.00 0.00 C ATOM 747 CG GLU A 49 10.198 7.828 7.285 1.00 0.00 C ATOM 748 CD GLU A 49 11.535 7.834 8.027 1.00 0.00 C ATOM 749 OE1 GLU A 49 12.172 6.756 8.133 1.00 0.00 O ATOM 750 OE2 GLU A 49 12.075 8.922 8.335 1.00 0.00 O ATOM 0 H GLU A 49 6.551 8.801 8.464 1.00 0.00 H new ATOM 0 HA GLU A 49 7.895 7.385 6.267 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.957 7.725 9.048 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.170 6.186 8.237 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.316 7.256 6.364 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.958 8.851 6.996 1.00 0.00 H new ATOM 757 N LEU A 50 5.781 6.095 6.752 1.00 0.00 N ATOM 758 CA LEU A 50 4.540 5.340 6.899 1.00 0.00 C ATOM 759 C LEU A 50 4.820 3.863 7.011 1.00 0.00 C ATOM 760 O LEU A 50 5.180 3.217 6.029 1.00 0.00 O ATOM 761 CB LEU A 50 3.623 5.555 5.688 1.00 0.00 C ATOM 762 CG LEU A 50 2.952 6.931 5.543 1.00 0.00 C ATOM 763 CD1 LEU A 50 3.402 8.017 6.527 1.00 0.00 C ATOM 764 CD2 LEU A 50 3.109 7.381 4.100 1.00 0.00 C ATOM 0 H LEU A 50 5.916 6.417 5.794 1.00 0.00 H new ATOM 0 HA LEU A 50 4.053 5.699 7.806 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.207 5.368 4.786 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.838 4.800 5.722 1.00 0.00 H new ATOM 0 HG LEU A 50 1.905 6.793 5.811 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.858 8.940 6.324 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.197 7.691 7.547 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.471 8.193 6.410 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.641 8.357 3.970 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.169 7.452 3.854 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.631 6.658 3.439 1.00 0.00 H new ATOM 776 N SER A 51 4.613 3.333 8.198 1.00 0.00 N ATOM 777 CA SER A 51 4.839 1.945 8.518 1.00 0.00 C ATOM 778 C SER A 51 3.745 1.081 7.895 1.00 0.00 C ATOM 779 O SER A 51 2.578 1.478 7.848 1.00 0.00 O ATOM 780 CB SER A 51 4.899 1.871 10.042 1.00 0.00 C ATOM 781 OG SER A 51 3.750 2.444 10.642 1.00 0.00 O ATOM 0 H SER A 51 4.272 3.877 8.991 1.00 0.00 H new ATOM 0 HA SER A 51 5.771 1.556 8.107 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.990 0.830 10.352 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.791 2.388 10.396 1.00 0.00 H new ATOM 0 HG SER A 51 3.822 2.377 11.617 1.00 0.00 H new ATOM 787 N VAL A 52 4.111 -0.096 7.396 1.00 0.00 N ATOM 788 CA VAL A 52 3.165 -1.154 7.074 1.00 0.00 C ATOM 789 C VAL A 52 3.006 -2.029 8.321 1.00 0.00 C ATOM 790 O VAL A 52 3.956 -2.159 9.098 1.00 0.00 O ATOM 791 CB VAL A 52 3.717 -1.929 5.868 1.00 0.00 C ATOM 792 CG1 VAL A 52 2.902 -3.180 5.513 1.00 0.00 C ATOM 793 CG2 VAL A 52 3.767 -1.018 4.636 1.00 0.00 C ATOM 0 H VAL A 52 5.082 -0.342 7.203 1.00 0.00 H new ATOM 0 HA VAL A 52 2.180 -0.775 6.802 1.00 0.00 H new ATOM 0 HB VAL A 52 4.714 -2.259 6.159 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.352 -3.675 4.652 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.896 -3.863 6.362 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.879 -2.891 5.272 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.160 -1.576 3.786 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.763 -0.664 4.404 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.414 -0.165 4.840 1.00 0.00 H new ATOM 803 N THR A 53 1.868 -2.706 8.479 1.00 0.00 N ATOM 804 CA THR A 53 1.724 -3.845 9.385 1.00 0.00 C ATOM 805 C THR A 53 0.972 -4.964 8.653 1.00 0.00 C ATOM 806 O THR A 53 0.105 -4.671 7.828 1.00 0.00 O ATOM 807 CB THR A 53 1.039 -3.412 10.694 1.00 0.00 C ATOM 808 OG1 THR A 53 0.026 -2.436 10.485 1.00 0.00 O ATOM 809 CG2 THR A 53 2.045 -2.802 11.677 1.00 0.00 C ATOM 0 H THR A 53 1.011 -2.476 7.976 1.00 0.00 H new ATOM 0 HA THR A 53 2.702 -4.231 9.673 1.00 0.00 H new ATOM 0 HB THR A 53 0.598 -4.323 11.098 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.736 -2.848 10.026 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.528 -2.507 12.590 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.813 -3.538 11.916 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.510 -1.926 11.225 1.00 0.00 H new ATOM 817 N PHE A 54 1.341 -6.225 8.892 1.00 0.00 N ATOM 818 CA PHE A 54 0.794 -7.389 8.196 1.00 0.00 C ATOM 819 C PHE A 54 -0.304 -8.010 9.032 1.00 0.00 C ATOM 820 O PHE A 54 -0.079 -8.259 10.216 1.00 0.00 O ATOM 821 CB PHE A 54 1.895 -8.435 7.995 1.00 0.00 C ATOM 822 CG PHE A 54 3.039 -7.946 7.151 1.00 0.00 C ATOM 823 CD1 PHE A 54 2.790 -7.572 5.827 1.00 0.00 C ATOM 824 CD2 PHE A 54 4.335 -7.829 7.682 1.00 0.00 C ATOM 825 CE1 PHE A 54 3.822 -7.057 5.039 1.00 0.00 C ATOM 826 CE2 PHE A 54 5.383 -7.366 6.867 1.00 0.00 C ATOM 827 CZ PHE A 54 5.130 -6.974 5.542 1.00 0.00 C ATOM 0 H PHE A 54 2.044 -6.469 9.590 1.00 0.00 H new ATOM 0 HA PHE A 54 0.399 -7.070 7.232 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.277 -8.741 8.969 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.463 -9.321 7.530 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.799 -7.681 5.413 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.525 -8.094 8.712 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.612 -6.720 4.035 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.387 -7.311 7.261 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.933 -6.613 4.917 1.00 0.00 H new ATOM 837 N PHE A 55 -1.465 -8.295 8.441 1.00 0.00 N ATOM 838 CA PHE A 55 -2.568 -8.819 9.224 1.00 0.00 C ATOM 839 C PHE A 55 -2.206 -10.145 9.941 1.00 0.00 C ATOM 840 O PHE A 55 -1.421 -10.938 9.404 1.00 0.00 O ATOM 841 CB PHE A 55 -3.830 -8.925 8.348 1.00 0.00 C ATOM 842 CG PHE A 55 -5.035 -8.219 8.930 1.00 0.00 C ATOM 843 CD1 PHE A 55 -5.025 -6.821 9.091 1.00 0.00 C ATOM 844 CD2 PHE A 55 -6.152 -8.963 9.353 1.00 0.00 C ATOM 845 CE1 PHE A 55 -6.155 -6.162 9.598 1.00 0.00 C ATOM 846 CE2 PHE A 55 -7.258 -8.307 9.916 1.00 0.00 C ATOM 847 CZ PHE A 55 -7.270 -6.905 10.008 1.00 0.00 C ATOM 0 H PHE A 55 -1.657 -8.173 7.447 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.785 -8.117 10.029 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.615 -8.507 7.364 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.072 -9.978 8.201 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.145 -6.254 8.824 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -6.158 -10.038 9.245 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -6.165 -5.085 9.672 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -8.099 -8.880 10.278 1.00 0.00 H new ATOM 0 HZ PHE A 55 -8.141 -6.398 10.396 1.00 0.00 H new ATOM 857 N PRO A 56 -2.861 -10.455 11.078 1.00 0.00 N ATOM 858 CA PRO A 56 -3.584 -9.497 11.904 1.00 0.00 C ATOM 859 C PRO A 56 -2.620 -8.682 12.793 1.00 0.00 C ATOM 860 O PRO A 56 -2.433 -8.963 13.979 1.00 0.00 O ATOM 861 CB PRO A 56 -4.537 -10.378 12.720 1.00 0.00 C ATOM 862 CG PRO A 56 -3.755 -11.678 12.924 1.00 0.00 C ATOM 863 CD PRO A 56 -2.854 -11.774 11.690 1.00 0.00 C ATOM 0 HA PRO A 56 -4.118 -8.743 11.325 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.794 -9.913 13.672 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -5.472 -10.554 12.188 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.170 -11.650 13.843 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.422 -12.537 12.997 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.842 -12.068 11.969 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.225 -12.527 10.995 1.00 0.00 H new ATOM 871 N ASP A 57 -2.197 -7.531 12.282 1.00 0.00 N ATOM 872 CA ASP A 57 -1.556 -6.390 12.914 1.00 0.00 C ATOM 873 C ASP A 57 -1.978 -5.224 12.024 1.00 0.00 C ATOM 874 O ASP A 57 -2.045 -5.364 10.801 1.00 0.00 O ATOM 875 CB ASP A 57 -0.027 -6.514 12.957 1.00 0.00 C ATOM 876 CG ASP A 57 0.662 -5.324 13.630 1.00 0.00 C ATOM 877 OD1 ASP A 57 0.003 -4.325 13.996 1.00 0.00 O ATOM 878 OD2 ASP A 57 1.896 -5.379 13.810 1.00 0.00 O ATOM 0 H ASP A 57 -2.313 -7.358 11.284 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.850 -6.282 13.958 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.241 -7.427 13.488 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.350 -6.615 11.939 1.00 0.00 H new ATOM 883 N LEU A 58 -2.388 -4.130 12.651 1.00 0.00 N ATOM 884 CA LEU A 58 -3.028 -2.976 12.057 1.00 0.00 C ATOM 885 C LEU A 58 -2.733 -1.771 12.954 1.00 0.00 C ATOM 886 O LEU A 58 -3.648 -1.051 13.363 1.00 0.00 O ATOM 887 CB LEU A 58 -4.537 -3.250 11.888 1.00 0.00 C ATOM 888 CG LEU A 58 -5.223 -3.805 13.160 1.00 0.00 C ATOM 889 CD1 LEU A 58 -6.601 -3.187 13.373 1.00 0.00 C ATOM 890 CD2 LEU A 58 -5.396 -5.327 13.090 1.00 0.00 C ATOM 0 H LEU A 58 -2.272 -4.023 13.659 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.642 -2.765 11.060 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.033 -2.325 11.595 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.678 -3.960 11.073 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.568 -3.544 13.991 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.050 -3.602 14.275 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.503 -2.107 13.480 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.236 -3.410 12.516 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.881 -5.680 14.000 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.011 -5.584 12.228 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.419 -5.800 12.992 1.00 0.00 H new ATOM 902 N ASN A 59 -1.471 -1.586 13.345 1.00 0.00 N ATOM 903 CA ASN A 59 -1.003 -0.435 14.117 1.00 0.00 C ATOM 904 C ASN A 59 -0.229 0.541 13.228 1.00 0.00 C ATOM 905 O ASN A 59 -0.108 1.719 13.568 1.00 0.00 O ATOM 906 CB ASN A 59 -0.090 -0.909 15.253 1.00 0.00 C ATOM 907 CG ASN A 59 -0.829 -1.693 16.324 1.00 0.00 C ATOM 908 OD1 ASN A 59 -1.169 -1.194 17.393 1.00 0.00 O ATOM 909 ND2 ASN A 59 -1.108 -2.948 16.054 1.00 0.00 N ATOM 0 H ASN A 59 -0.728 -2.250 13.128 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.874 0.076 14.527 1.00 0.00 H new ATOM 0 HB2 ASN A 59 0.703 -1.531 14.838 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.390 -0.044 15.711 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.611 -3.517 16.735 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.821 -3.354 15.163 1.00 0.00 H new ATOM 916 N GLY A 60 0.283 0.060 12.092 1.00 0.00 N ATOM 917 CA GLY A 60 1.065 0.859 11.160 1.00 0.00 C ATOM 918 C GLY A 60 0.192 1.845 10.387 1.00 0.00 C ATOM 919 O GLY A 60 -1.035 1.688 10.319 1.00 0.00 O ATOM 0 H GLY A 60 0.161 -0.908 11.795 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.834 1.405 11.706 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.578 0.201 10.459 1.00 0.00 H new ATOM 923 N ASP A 61 0.815 2.858 9.780 1.00 0.00 N ATOM 924 CA ASP A 61 0.102 3.936 9.089 1.00 0.00 C ATOM 925 C ASP A 61 -0.597 3.434 7.835 1.00 0.00 C ATOM 926 O ASP A 61 -1.559 4.055 7.368 1.00 0.00 O ATOM 927 CB ASP A 61 1.066 5.058 8.663 1.00 0.00 C ATOM 928 CG ASP A 61 0.383 6.422 8.658 1.00 0.00 C ATOM 929 OD1 ASP A 61 -0.045 6.876 9.741 1.00 0.00 O ATOM 930 OD2 ASP A 61 0.317 7.084 7.598 1.00 0.00 O ATOM 0 H ASP A 61 1.830 2.954 9.754 1.00 0.00 H new ATOM 0 HA ASP A 61 -0.634 4.315 9.798 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.919 5.081 9.342 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.456 4.843 7.668 1.00 0.00 H new ATOM 935 N VAL A 62 -0.172 2.271 7.341 1.00 0.00 N ATOM 936 CA VAL A 62 -0.807 1.488 6.296 1.00 0.00 C ATOM 937 C VAL A 62 -0.873 0.043 6.814 1.00 0.00 C ATOM 938 O VAL A 62 0.015 -0.412 7.541 1.00 0.00 O ATOM 939 CB VAL A 62 -0.006 1.660 4.988 1.00 0.00 C ATOM 940 CG1 VAL A 62 -0.705 0.996 3.795 1.00 0.00 C ATOM 941 CG2 VAL A 62 0.222 3.149 4.651 1.00 0.00 C ATOM 0 H VAL A 62 0.679 1.828 7.686 1.00 0.00 H new ATOM 0 HA VAL A 62 -1.822 1.810 6.063 1.00 0.00 H new ATOM 0 HB VAL A 62 0.953 1.172 5.160 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.107 1.142 2.896 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.818 -0.071 3.987 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.688 1.445 3.653 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.789 3.229 3.724 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.740 3.647 4.532 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.778 3.624 5.459 1.00 0.00 H new ATOM 951 N VAL A 63 -1.919 -0.691 6.448 1.00 0.00 N ATOM 952 CA VAL A 63 -2.047 -2.115 6.768 1.00 0.00 C ATOM 953 C VAL A 63 -1.786 -2.913 5.480 1.00 0.00 C ATOM 954 O VAL A 63 -1.877 -2.363 4.384 1.00 0.00 O ATOM 955 CB VAL A 63 -3.434 -2.362 7.399 1.00 0.00 C ATOM 956 CG1 VAL A 63 -3.586 -3.786 7.939 1.00 0.00 C ATOM 957 CG2 VAL A 63 -3.741 -1.388 8.558 1.00 0.00 C ATOM 0 H VAL A 63 -2.707 -0.317 5.919 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.317 -2.449 7.505 1.00 0.00 H new ATOM 0 HB VAL A 63 -4.139 -2.198 6.584 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -4.579 -3.907 8.372 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.456 -4.500 7.125 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.832 -3.967 8.705 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.728 -1.606 8.965 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.992 -1.506 9.341 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.720 -0.363 8.187 1.00 0.00 H new ATOM 967 N ALA A 64 -1.456 -4.201 5.565 1.00 0.00 N ATOM 968 CA ALA A 64 -1.199 -5.064 4.420 1.00 0.00 C ATOM 969 C ALA A 64 -2.114 -6.277 4.488 1.00 0.00 C ATOM 970 O ALA A 64 -2.190 -6.956 5.517 1.00 0.00 O ATOM 971 CB ALA A 64 0.270 -5.481 4.397 1.00 0.00 C ATOM 0 H ALA A 64 -1.358 -4.683 6.458 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.407 -4.523 3.497 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.452 -6.126 3.537 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.899 -4.594 4.324 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.509 -6.021 5.313 1.00 0.00 H new ATOM 977 N ILE A 65 -2.786 -6.555 3.375 1.00 0.00 N ATOM 978 CA ILE A 65 -3.797 -7.584 3.208 1.00 0.00 C ATOM 979 C ILE A 65 -3.260 -8.561 2.151 1.00 0.00 C ATOM 980 O ILE A 65 -2.489 -8.176 1.267 1.00 0.00 O ATOM 981 CB ILE A 65 -5.148 -6.914 2.878 1.00 0.00 C ATOM 982 CG1 ILE A 65 -5.627 -6.028 4.059 1.00 0.00 C ATOM 983 CG2 ILE A 65 -6.256 -7.908 2.490 1.00 0.00 C ATOM 984 CD1 ILE A 65 -5.987 -6.758 5.370 1.00 0.00 C ATOM 0 H ILE A 65 -2.626 -6.033 2.514 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.992 -8.165 4.110 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.961 -6.295 2.000 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.845 -5.301 4.278 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.502 -5.467 3.731 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -7.174 -7.363 2.273 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.949 -8.468 1.607 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.431 -8.598 3.315 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.306 -6.030 6.116 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.796 -7.464 5.183 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.114 -7.296 5.739 1.00 0.00 H new ATOM 996 N ASP A 66 -3.596 -9.845 2.269 1.00 0.00 N ATOM 997 CA ASP A 66 -3.050 -10.876 1.394 1.00 0.00 C ATOM 998 C ASP A 66 -3.665 -10.733 0.004 1.00 0.00 C ATOM 999 O ASP A 66 -4.877 -10.560 -0.144 1.00 0.00 O ATOM 1000 CB ASP A 66 -3.309 -12.278 1.964 1.00 0.00 C ATOM 1001 CG ASP A 66 -2.490 -13.384 1.286 1.00 0.00 C ATOM 1002 OD1 ASP A 66 -1.742 -13.136 0.320 1.00 0.00 O ATOM 1003 OD2 ASP A 66 -2.566 -14.542 1.766 1.00 0.00 O ATOM 0 H ASP A 66 -4.250 -10.196 2.969 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.970 -10.748 1.325 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.083 -12.274 3.030 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.369 -12.511 1.864 1.00 0.00 H new ATOM 1008 N TYR A 67 -2.825 -10.865 -1.018 1.00 0.00 N ATOM 1009 CA TYR A 67 -3.135 -10.819 -2.444 1.00 0.00 C ATOM 1010 C TYR A 67 -4.304 -11.736 -2.859 1.00 0.00 C ATOM 1011 O TYR A 67 -4.919 -11.532 -3.899 1.00 0.00 O ATOM 1012 CB TYR A 67 -1.821 -11.151 -3.168 1.00 0.00 C ATOM 1013 CG TYR A 67 -1.944 -11.791 -4.532 1.00 0.00 C ATOM 1014 CD1 TYR A 67 -2.015 -13.193 -4.624 1.00 0.00 C ATOM 1015 CD2 TYR A 67 -1.964 -11.001 -5.696 1.00 0.00 C ATOM 1016 CE1 TYR A 67 -2.095 -13.814 -5.879 1.00 0.00 C ATOM 1017 CE2 TYR A 67 -2.041 -11.620 -6.958 1.00 0.00 C ATOM 1018 CZ TYR A 67 -2.093 -13.030 -7.053 1.00 0.00 C ATOM 1019 OH TYR A 67 -2.115 -13.630 -8.273 1.00 0.00 O ATOM 0 H TYR A 67 -1.830 -11.019 -0.858 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.499 -9.830 -2.722 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -1.248 -10.230 -3.274 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.239 -11.817 -2.530 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.008 -13.793 -3.726 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.920 -9.924 -5.622 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.158 -14.890 -5.947 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.060 -11.018 -7.854 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.111 -12.945 -8.974 1.00 0.00 H new ATOM 1029 N ARG A 68 -4.687 -12.714 -2.038 1.00 0.00 N ATOM 1030 CA ARG A 68 -5.788 -13.669 -2.254 1.00 0.00 C ATOM 1031 C ARG A 68 -7.168 -13.032 -2.137 1.00 0.00 C ATOM 1032 O ARG A 68 -8.200 -13.701 -2.232 1.00 0.00 O ATOM 1033 CB ARG A 68 -5.620 -14.826 -1.265 1.00 0.00 C ATOM 1034 CG ARG A 68 -4.161 -15.263 -1.329 1.00 0.00 C ATOM 1035 CD ARG A 68 -3.819 -16.673 -0.860 1.00 0.00 C ATOM 1036 NE ARG A 68 -2.356 -16.792 -0.812 1.00 0.00 N ATOM 1037 CZ ARG A 68 -1.542 -16.950 -1.863 1.00 0.00 C ATOM 1038 NH1 ARG A 68 -2.004 -17.336 -3.049 1.00 0.00 N ATOM 1039 NH2 ARG A 68 -0.245 -16.714 -1.716 1.00 0.00 N ATOM 0 H ARG A 68 -4.212 -12.875 -1.150 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.731 -14.035 -3.279 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.884 -14.511 -0.255 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.281 -15.653 -1.524 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.827 -15.163 -2.362 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.575 -14.561 -0.735 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.249 -16.863 0.123 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.240 -17.414 -1.540 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.919 -16.750 0.109 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.000 -17.519 -3.174 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -1.363 -17.449 -3.834 1.00 0.00 H new ATOM 0 HH21 ARG A 68 0.120 -16.416 -0.811 1.00 0.00 H new ATOM 0 HH22 ARG A 68 0.387 -16.830 -2.508 1.00 0.00 H new ATOM 1053 N HIS A 69 -7.167 -11.736 -1.884 1.00 0.00 N ATOM 1054 CA HIS A 69 -8.326 -10.855 -1.926 1.00 0.00 C ATOM 1055 C HIS A 69 -8.216 -9.777 -3.011 1.00 0.00 C ATOM 1056 O HIS A 69 -9.120 -8.945 -3.104 1.00 0.00 O ATOM 1057 CB HIS A 69 -8.640 -10.322 -0.512 1.00 0.00 C ATOM 1058 CG HIS A 69 -9.507 -11.260 0.300 1.00 0.00 C ATOM 1059 ND1 HIS A 69 -9.949 -12.508 -0.091 1.00 0.00 N ATOM 1060 CD2 HIS A 69 -10.112 -10.966 1.495 1.00 0.00 C ATOM 1061 CE1 HIS A 69 -10.836 -12.938 0.817 1.00 0.00 C ATOM 1062 NE2 HIS A 69 -10.936 -12.050 1.821 1.00 0.00 N ATOM 0 H HIS A 69 -6.313 -11.240 -1.630 1.00 0.00 H new ATOM 0 HA HIS A 69 -9.195 -11.435 -2.237 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.705 -10.150 0.020 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -9.140 -9.357 -0.597 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -9.652 -13.014 -0.925 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -9.978 -10.066 2.076 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -11.390 -13.863 0.752 1.00 0.00 H new ATOM 1070 N TYR A 70 -7.183 -9.794 -3.869 1.00 0.00 N ATOM 1071 CA TYR A 70 -7.020 -8.874 -4.997 1.00 0.00 C ATOM 1072 C TYR A 70 -8.008 -9.196 -6.124 1.00 0.00 C ATOM 1073 O TYR A 70 -7.635 -9.517 -7.261 1.00 0.00 O ATOM 1074 CB TYR A 70 -5.567 -8.858 -5.500 1.00 0.00 C ATOM 1075 CG TYR A 70 -5.264 -7.934 -6.679 1.00 0.00 C ATOM 1076 CD1 TYR A 70 -6.151 -6.909 -7.081 1.00 0.00 C ATOM 1077 CD2 TYR A 70 -4.092 -8.161 -7.424 1.00 0.00 C ATOM 1078 CE1 TYR A 70 -5.833 -6.082 -8.172 1.00 0.00 C ATOM 1079 CE2 TYR A 70 -3.788 -7.371 -8.545 1.00 0.00 C ATOM 1080 CZ TYR A 70 -4.649 -6.312 -8.910 1.00 0.00 C ATOM 1081 OH TYR A 70 -4.338 -5.535 -9.986 1.00 0.00 O ATOM 0 H TYR A 70 -6.420 -10.467 -3.792 1.00 0.00 H new ATOM 0 HA TYR A 70 -7.250 -7.869 -4.642 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -4.921 -8.574 -4.669 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -5.293 -9.874 -5.784 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -7.078 -6.761 -6.547 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -3.418 -8.952 -7.130 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -6.492 -5.272 -8.446 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -2.900 -7.572 -9.125 1.00 0.00 H new ATOM 0 HH TYR A 70 -3.488 -5.835 -10.372 1.00 0.00 H new ATOM 1091 N SER A 71 -9.294 -9.041 -5.833 1.00 0.00 N ATOM 1092 CA SER A 71 -10.321 -9.114 -6.836 1.00 0.00 C ATOM 1093 C SER A 71 -10.308 -7.876 -7.720 1.00 0.00 C ATOM 1094 O SER A 71 -9.789 -6.815 -7.359 1.00 0.00 O ATOM 1095 CB SER A 71 -11.686 -9.333 -6.180 1.00 0.00 C ATOM 1096 OG SER A 71 -12.526 -10.022 -7.080 1.00 0.00 O ATOM 0 H SER A 71 -9.643 -8.862 -4.891 1.00 0.00 H new ATOM 0 HA SER A 71 -10.121 -9.969 -7.482 1.00 0.00 H new ATOM 0 HB2 SER A 71 -11.573 -9.904 -5.259 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.131 -8.376 -5.909 1.00 0.00 H new ATOM 0 HG SER A 71 -13.402 -10.167 -6.665 1.00 0.00 H new ATOM 1102 N ALA A 72 -10.951 -8.002 -8.875 1.00 0.00 N ATOM 1103 CA ALA A 72 -11.050 -6.934 -9.850 1.00 0.00 C ATOM 1104 C ALA A 72 -11.947 -5.785 -9.390 1.00 0.00 C ATOM 1105 O ALA A 72 -11.936 -4.749 -10.045 1.00 0.00 O ATOM 1106 CB ALA A 72 -11.532 -7.521 -11.172 1.00 0.00 C ATOM 0 H ALA A 72 -11.422 -8.861 -9.160 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.060 -6.495 -9.976 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -11.611 -6.728 -11.915 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -10.821 -8.272 -11.517 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.509 -7.984 -11.030 1.00 0.00 H new ATOM 1112 N SER A 73 -12.689 -5.895 -8.285 1.00 0.00 N ATOM 1113 CA SER A 73 -13.251 -4.723 -7.617 1.00 0.00 C ATOM 1114 C SER A 73 -12.133 -3.728 -7.279 1.00 0.00 C ATOM 1115 O SER A 73 -12.189 -2.549 -7.640 1.00 0.00 O ATOM 1116 CB SER A 73 -13.967 -5.160 -6.335 1.00 0.00 C ATOM 1117 OG SER A 73 -15.368 -5.188 -6.516 1.00 0.00 O ATOM 0 H SER A 73 -12.913 -6.783 -7.836 1.00 0.00 H new ATOM 0 HA SER A 73 -13.966 -4.237 -8.281 1.00 0.00 H new ATOM 0 HB2 SER A 73 -13.616 -6.148 -6.038 1.00 0.00 H new ATOM 0 HB3 SER A 73 -13.716 -4.476 -5.524 1.00 0.00 H new ATOM 0 HG SER A 73 -15.800 -5.472 -5.683 1.00 0.00 H new ATOM 1123 N PHE A 74 -11.079 -4.225 -6.632 1.00 0.00 N ATOM 1124 CA PHE A 74 -9.970 -3.498 -6.029 1.00 0.00 C ATOM 1125 C PHE A 74 -8.927 -3.121 -7.094 1.00 0.00 C ATOM 1126 O PHE A 74 -7.754 -2.886 -6.810 1.00 0.00 O ATOM 1127 CB PHE A 74 -9.424 -4.335 -4.858 1.00 0.00 C ATOM 1128 CG PHE A 74 -10.473 -4.985 -3.944 1.00 0.00 C ATOM 1129 CD1 PHE A 74 -11.049 -4.295 -2.856 1.00 0.00 C ATOM 1130 CD2 PHE A 74 -10.876 -6.313 -4.175 1.00 0.00 C ATOM 1131 CE1 PHE A 74 -12.010 -4.914 -2.031 1.00 0.00 C ATOM 1132 CE2 PHE A 74 -11.855 -6.927 -3.372 1.00 0.00 C ATOM 1133 CZ PHE A 74 -12.433 -6.223 -2.306 1.00 0.00 C ATOM 0 H PHE A 74 -10.974 -5.232 -6.508 1.00 0.00 H new ATOM 0 HA PHE A 74 -10.295 -2.544 -5.615 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -8.790 -5.122 -5.266 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.786 -3.696 -4.248 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -10.749 -3.278 -2.652 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -10.426 -6.871 -4.983 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -12.421 -4.380 -1.187 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -12.162 -7.942 -3.577 1.00 0.00 H new ATOM 0 HZ PHE A 74 -13.199 -6.685 -1.701 1.00 0.00 H new ATOM 1143 N LYS A 75 -9.363 -3.038 -8.355 1.00 0.00 N ATOM 1144 CA LYS A 75 -8.605 -2.728 -9.550 1.00 0.00 C ATOM 1145 C LYS A 75 -7.913 -1.368 -9.430 1.00 0.00 C ATOM 1146 O LYS A 75 -6.894 -1.178 -10.093 1.00 0.00 O ATOM 1147 CB LYS A 75 -9.613 -2.846 -10.723 1.00 0.00 C ATOM 1148 CG LYS A 75 -9.638 -1.805 -11.845 1.00 0.00 C ATOM 1149 CD LYS A 75 -8.783 -2.097 -13.081 1.00 0.00 C ATOM 1150 CE LYS A 75 -7.532 -1.219 -13.129 1.00 0.00 C ATOM 1151 NZ LYS A 75 -6.300 -1.925 -12.735 1.00 0.00 N ATOM 0 H LYS A 75 -10.345 -3.203 -8.574 1.00 0.00 H new ATOM 0 HA LYS A 75 -7.776 -3.416 -9.719 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.447 -3.816 -11.191 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.611 -2.869 -10.286 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.671 -1.681 -12.169 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.317 -0.850 -11.429 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.490 -3.147 -13.080 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.377 -1.933 -13.980 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.410 -0.830 -14.140 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.675 -0.361 -12.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.480 -1.470 -13.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.194 -1.887 -11.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.356 -2.917 -13.041 1.00 0.00 H new ATOM 1165 N LYS A 76 -8.451 -0.441 -8.627 1.00 0.00 N ATOM 1166 CA LYS A 76 -7.986 0.941 -8.485 1.00 0.00 C ATOM 1167 C LYS A 76 -7.517 1.253 -7.055 1.00 0.00 C ATOM 1168 O LYS A 76 -7.343 2.424 -6.714 1.00 0.00 O ATOM 1169 CB LYS A 76 -9.067 1.918 -8.964 1.00 0.00 C ATOM 1170 CG LYS A 76 -9.408 1.721 -10.441 1.00 0.00 C ATOM 1171 CD LYS A 76 -10.162 2.914 -11.010 1.00 0.00 C ATOM 1172 CE LYS A 76 -10.545 2.625 -12.462 1.00 0.00 C ATOM 1173 NZ LYS A 76 -11.583 3.550 -12.948 1.00 0.00 N ATOM 0 H LYS A 76 -9.256 -0.644 -8.034 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.110 1.067 -9.122 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.967 1.784 -8.364 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -8.726 2.941 -8.805 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.490 1.566 -11.009 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.011 0.820 -10.558 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.056 3.109 -10.418 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.543 3.809 -10.957 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.661 2.706 -13.094 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.904 1.599 -12.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.816 3.322 -13.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.436 3.455 -12.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.231 4.527 -12.892 1.00 0.00 H new ATOM 1187 N GLY A 77 -7.283 0.231 -6.228 1.00 0.00 N ATOM 1188 CA GLY A 77 -6.895 0.376 -4.831 1.00 0.00 C ATOM 1189 C GLY A 77 -8.030 -0.063 -3.912 1.00 0.00 C ATOM 1190 O GLY A 77 -9.108 -0.464 -4.370 1.00 0.00 O ATOM 0 H GLY A 77 -7.361 -0.742 -6.523 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.006 -0.221 -4.631 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.634 1.414 -4.626 1.00 0.00 H new ATOM 1194 N ALA A 78 -7.776 -0.031 -2.604 1.00 0.00 N ATOM 1195 CA ALA A 78 -8.717 -0.448 -1.575 1.00 0.00 C ATOM 1196 C ALA A 78 -8.386 0.187 -0.225 1.00 0.00 C ATOM 1197 O ALA A 78 -7.345 0.826 -0.047 1.00 0.00 O ATOM 1198 CB ALA A 78 -8.691 -1.974 -1.462 1.00 0.00 C ATOM 0 H ALA A 78 -6.887 0.294 -2.225 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.715 -0.113 -1.859 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.394 -2.294 -0.693 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -8.974 -2.415 -2.418 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.686 -2.302 -1.195 1.00 0.00 H new ATOM 1204 N LYS A 79 -9.291 -0.007 0.724 1.00 0.00 N ATOM 1205 CA LYS A 79 -9.224 0.407 2.115 1.00 0.00 C ATOM 1206 C LYS A 79 -9.901 -0.695 2.938 1.00 0.00 C ATOM 1207 O LYS A 79 -10.505 -1.606 2.369 1.00 0.00 O ATOM 1208 CB LYS A 79 -9.875 1.799 2.295 1.00 0.00 C ATOM 1209 CG LYS A 79 -11.193 1.984 1.513 1.00 0.00 C ATOM 1210 CD LYS A 79 -12.118 3.051 2.107 1.00 0.00 C ATOM 1211 CE LYS A 79 -13.556 2.913 1.585 1.00 0.00 C ATOM 1212 NZ LYS A 79 -14.552 3.433 2.552 1.00 0.00 N ATOM 0 H LYS A 79 -10.162 -0.499 0.522 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.196 0.525 2.459 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.068 1.964 3.355 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -9.166 2.564 1.977 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.959 2.252 0.483 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.724 1.032 1.483 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.116 2.969 3.194 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.735 4.042 1.861 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.652 3.451 0.642 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -13.767 1.864 1.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -15.509 3.320 2.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.479 2.903 3.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -14.368 4.441 2.732 1.00 0.00 H new ATOM 1226 N LEU A 80 -9.752 -0.645 4.255 1.00 0.00 N ATOM 1227 CA LEU A 80 -10.288 -1.581 5.238 1.00 0.00 C ATOM 1228 C LEU A 80 -11.293 -0.788 6.094 1.00 0.00 C ATOM 1229 O LEU A 80 -11.768 0.265 5.647 1.00 0.00 O ATOM 1230 CB LEU A 80 -9.092 -2.182 6.019 1.00 0.00 C ATOM 1231 CG LEU A 80 -9.306 -3.599 6.576 1.00 0.00 C ATOM 1232 CD1 LEU A 80 -9.241 -4.679 5.488 1.00 0.00 C ATOM 1233 CD2 LEU A 80 -8.224 -3.915 7.607 1.00 0.00 C ATOM 0 H LEU A 80 -9.216 0.102 4.697 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.825 -2.429 4.812 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.223 -2.197 5.361 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.852 -1.517 6.849 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.302 -3.611 7.020 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.399 -5.659 5.938 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.015 -4.493 4.744 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.263 -4.654 5.008 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.378 -4.920 8.000 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.243 -3.857 7.135 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.277 -3.194 8.423 1.00 0.00 H new ATOM 1245 N LEU A 81 -11.605 -1.254 7.311 1.00 0.00 N ATOM 1246 CA LEU A 81 -12.592 -0.687 8.244 1.00 0.00 C ATOM 1247 C LEU A 81 -12.608 0.838 8.251 1.00 0.00 C ATOM 1248 O LEU A 81 -13.661 1.457 8.084 1.00 0.00 O ATOM 1249 CB LEU A 81 -12.322 -1.188 9.672 1.00 0.00 C ATOM 1250 CG LEU A 81 -13.597 -1.233 10.543 1.00 0.00 C ATOM 1251 CD1 LEU A 81 -14.038 -2.681 10.764 1.00 0.00 C ATOM 1252 CD2 LEU A 81 -13.360 -0.569 11.904 1.00 0.00 C ATOM 0 H LEU A 81 -11.151 -2.083 7.694 1.00 0.00 H new ATOM 0 HA LEU A 81 -13.568 -1.024 7.894 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.884 -2.185 9.625 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.586 -0.539 10.147 1.00 0.00 H new ATOM 0 HG LEU A 81 -14.378 -0.686 10.014 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -14.938 -2.697 11.379 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -14.248 -3.148 9.802 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -13.243 -3.230 11.268 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -14.274 -0.615 12.496 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.561 -1.092 12.430 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -13.076 0.473 11.756 1.00 0.00 H new ATOM 1264 N HIS A 82 -11.439 1.444 8.458 1.00 0.00 N ATOM 1265 CA HIS A 82 -11.216 2.865 8.210 1.00 0.00 C ATOM 1266 C HIS A 82 -9.858 3.139 7.562 1.00 0.00 C ATOM 1267 O HIS A 82 -9.683 4.183 6.930 1.00 0.00 O ATOM 1268 CB HIS A 82 -11.404 3.686 9.495 1.00 0.00 C ATOM 1269 CG HIS A 82 -10.455 3.361 10.624 1.00 0.00 C ATOM 1270 ND1 HIS A 82 -9.550 4.234 11.182 1.00 0.00 N ATOM 1271 CD2 HIS A 82 -10.401 2.194 11.337 1.00 0.00 C ATOM 1272 CE1 HIS A 82 -8.973 3.613 12.225 1.00 0.00 C ATOM 1273 NE2 HIS A 82 -9.443 2.354 12.347 1.00 0.00 N ATOM 0 H HIS A 82 -10.614 0.956 8.806 1.00 0.00 H new ATOM 0 HA HIS A 82 -11.971 3.185 7.492 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -11.298 4.742 9.248 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -12.425 3.543 9.850 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -10.991 1.308 11.154 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -8.235 4.060 12.875 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -9.158 1.658 13.036 1.00 0.00 H new ATOM 1281 N LYS A 83 -8.902 2.217 7.685 1.00 0.00 N ATOM 1282 CA LYS A 83 -7.511 2.439 7.313 1.00 0.00 C ATOM 1283 C LYS A 83 -7.214 1.928 5.909 1.00 0.00 C ATOM 1284 O LYS A 83 -7.916 1.033 5.438 1.00 0.00 O ATOM 1285 CB LYS A 83 -6.641 1.718 8.343 1.00 0.00 C ATOM 1286 CG LYS A 83 -6.729 2.429 9.694 1.00 0.00 C ATOM 1287 CD LYS A 83 -5.532 2.086 10.588 1.00 0.00 C ATOM 1288 CE LYS A 83 -5.885 0.918 11.512 1.00 0.00 C ATOM 1289 NZ LYS A 83 -5.301 1.086 12.854 1.00 0.00 N ATOM 0 H LYS A 83 -9.079 1.282 8.052 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.298 3.508 7.305 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -6.967 0.683 8.446 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -5.606 1.693 8.003 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.770 3.507 9.537 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.653 2.144 10.197 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -4.671 1.826 9.972 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -5.249 2.956 11.180 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -6.969 0.835 11.595 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -5.527 -0.013 11.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.935 0.172 13.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.524 1.775 12.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -6.031 1.429 13.510 1.00 0.00 H new ATOM 1303 N PRO A 84 -6.160 2.408 5.237 1.00 0.00 N ATOM 1304 CA PRO A 84 -5.833 1.972 3.889 1.00 0.00 C ATOM 1305 C PRO A 84 -5.076 0.633 3.907 1.00 0.00 C ATOM 1306 O PRO A 84 -4.600 0.203 4.964 1.00 0.00 O ATOM 1307 CB PRO A 84 -4.975 3.105 3.356 1.00 0.00 C ATOM 1308 CG PRO A 84 -4.164 3.524 4.584 1.00 0.00 C ATOM 1309 CD PRO A 84 -5.164 3.355 5.725 1.00 0.00 C ATOM 0 HA PRO A 84 -6.711 1.787 3.270 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -4.332 2.776 2.540 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -5.581 3.926 2.973 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -3.284 2.895 4.721 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -3.812 4.552 4.504 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -4.674 2.980 6.623 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -5.624 4.308 5.987 1.00 0.00 H new ATOM 1317 N ILE A 85 -4.941 -0.023 2.747 1.00 0.00 N ATOM 1318 CA ILE A 85 -4.336 -1.357 2.645 1.00 0.00 C ATOM 1319 C ILE A 85 -3.316 -1.402 1.493 1.00 0.00 C ATOM 1320 O ILE A 85 -3.384 -0.582 0.568 1.00 0.00 O ATOM 1321 CB ILE A 85 -5.428 -2.458 2.535 1.00 0.00 C ATOM 1322 CG1 ILE A 85 -6.084 -2.483 1.134 1.00 0.00 C ATOM 1323 CG2 ILE A 85 -6.498 -2.299 3.607 1.00 0.00 C ATOM 1324 CD1 ILE A 85 -5.603 -3.664 0.282 1.00 0.00 C ATOM 0 H ILE A 85 -5.249 0.357 1.852 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.784 -1.566 3.561 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.921 -3.410 2.691 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.167 -2.536 1.244 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -5.862 -1.550 0.615 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.243 -3.087 3.497 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.039 -2.369 4.593 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.979 -1.327 3.499 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.094 -3.635 -0.691 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.524 -3.599 0.146 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.849 -4.599 0.785 1.00 0.00 H new ATOM 1336 N VAL A 86 -2.438 -2.404 1.487 1.00 0.00 N ATOM 1337 CA VAL A 86 -1.599 -2.809 0.355 1.00 0.00 C ATOM 1338 C VAL A 86 -1.737 -4.312 0.153 1.00 0.00 C ATOM 1339 O VAL A 86 -2.145 -5.019 1.075 1.00 0.00 O ATOM 1340 CB VAL A 86 -0.114 -2.439 0.560 1.00 0.00 C ATOM 1341 CG1 VAL A 86 0.100 -0.948 0.366 1.00 0.00 C ATOM 1342 CG2 VAL A 86 0.467 -2.871 1.908 1.00 0.00 C ATOM 0 H VAL A 86 -2.283 -2.985 2.311 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.941 -2.270 -0.529 1.00 0.00 H new ATOM 0 HB VAL A 86 0.427 -3.003 -0.200 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.153 -0.709 0.515 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.197 -0.666 -0.644 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.503 -0.397 1.088 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.513 -2.571 1.966 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.092 -2.396 2.714 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.394 -3.954 2.005 1.00 0.00 H new ATOM 1352 N TRP A 87 -1.354 -4.806 -1.024 1.00 0.00 N ATOM 1353 CA TRP A 87 -1.211 -6.235 -1.262 1.00 0.00 C ATOM 1354 C TRP A 87 0.225 -6.625 -0.950 1.00 0.00 C ATOM 1355 O TRP A 87 1.146 -6.052 -1.543 1.00 0.00 O ATOM 1356 CB TRP A 87 -1.566 -6.584 -2.710 1.00 0.00 C ATOM 1357 CG TRP A 87 -2.922 -6.119 -3.127 1.00 0.00 C ATOM 1358 CD1 TRP A 87 -3.177 -5.124 -4.001 1.00 0.00 C ATOM 1359 CD2 TRP A 87 -4.218 -6.549 -2.621 1.00 0.00 C ATOM 1360 NE1 TRP A 87 -4.542 -4.944 -4.115 1.00 0.00 N ATOM 1361 CE2 TRP A 87 -5.228 -5.781 -3.268 1.00 0.00 C ATOM 1362 CE3 TRP A 87 -4.641 -7.483 -1.655 1.00 0.00 C ATOM 1363 CZ2 TRP A 87 -6.587 -5.940 -2.982 1.00 0.00 C ATOM 1364 CZ3 TRP A 87 -6.005 -7.666 -1.374 1.00 0.00 C ATOM 1365 CH2 TRP A 87 -6.975 -6.901 -2.039 1.00 0.00 C ATOM 0 H TRP A 87 -1.136 -4.226 -1.834 1.00 0.00 H new ATOM 0 HA TRP A 87 -1.895 -6.789 -0.619 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -0.821 -6.144 -3.373 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -1.507 -7.665 -2.838 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -2.428 -4.555 -4.531 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -4.984 -4.276 -4.747 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -3.905 -8.067 -1.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -7.327 -5.331 -3.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -6.309 -8.400 -0.642 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -8.022 -7.053 -1.824 1.00 0.00 H new ATOM 1376 N HIS A 88 0.421 -7.610 -0.075 1.00 0.00 N ATOM 1377 CA HIS A 88 1.712 -8.263 0.106 1.00 0.00 C ATOM 1378 C HIS A 88 1.591 -9.728 -0.296 1.00 0.00 C ATOM 1379 O HIS A 88 0.537 -10.349 -0.129 1.00 0.00 O ATOM 1380 CB HIS A 88 2.246 -8.082 1.536 1.00 0.00 C ATOM 1381 CG HIS A 88 1.661 -8.973 2.607 1.00 0.00 C ATOM 1382 ND1 HIS A 88 2.389 -9.766 3.467 1.00 0.00 N ATOM 1383 CD2 HIS A 88 0.339 -9.131 2.921 1.00 0.00 C ATOM 1384 CE1 HIS A 88 1.520 -10.432 4.243 1.00 0.00 C ATOM 1385 NE2 HIS A 88 0.254 -10.081 3.947 1.00 0.00 N ATOM 0 H HIS A 88 -0.314 -7.977 0.529 1.00 0.00 H new ATOM 0 HA HIS A 88 2.450 -7.790 -0.542 1.00 0.00 H new ATOM 0 HB2 HIS A 88 3.324 -8.239 1.517 1.00 0.00 H new ATOM 0 HB3 HIS A 88 2.080 -7.046 1.830 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -0.491 -8.616 2.460 1.00 0.00 H new ATOM 0 HE1 HIS A 88 1.798 -11.150 5.000 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -0.597 -10.436 4.383 1.00 0.00 H new ATOM 1393 N ILE A 89 2.696 -10.284 -0.787 1.00 0.00 N ATOM 1394 CA ILE A 89 2.872 -11.700 -1.052 1.00 0.00 C ATOM 1395 C ILE A 89 4.114 -12.080 -0.267 1.00 0.00 C ATOM 1396 O ILE A 89 5.191 -11.586 -0.583 1.00 0.00 O ATOM 1397 CB ILE A 89 3.013 -11.977 -2.567 1.00 0.00 C ATOM 1398 CG1 ILE A 89 1.645 -11.832 -3.268 1.00 0.00 C ATOM 1399 CG2 ILE A 89 3.563 -13.394 -2.800 1.00 0.00 C ATOM 1400 CD1 ILE A 89 1.719 -11.956 -4.795 1.00 0.00 C ATOM 0 H ILE A 89 3.523 -9.734 -1.019 1.00 0.00 H new ATOM 0 HA ILE A 89 2.012 -12.296 -0.747 1.00 0.00 H new ATOM 0 HB ILE A 89 3.708 -11.250 -2.987 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.967 -12.593 -2.883 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.216 -10.863 -3.011 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.657 -13.576 -3.871 1.00 0.00 H new ATOM 0 HG22 ILE A 89 4.541 -13.487 -2.328 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.881 -14.125 -2.366 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.721 -11.844 -5.218 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.371 -11.178 -5.192 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.118 -12.935 -5.062 1.00 0.00 H new ATOM 1412 N ASN A 90 3.988 -12.933 0.748 1.00 0.00 N ATOM 1413 CA ASN A 90 5.097 -13.500 1.513 1.00 0.00 C ATOM 1414 C ASN A 90 5.987 -12.452 2.192 1.00 0.00 C ATOM 1415 O ASN A 90 7.137 -12.746 2.513 1.00 0.00 O ATOM 1416 CB ASN A 90 5.850 -14.594 0.714 1.00 0.00 C ATOM 1417 CG ASN A 90 6.763 -14.170 -0.435 1.00 0.00 C ATOM 1418 OD1 ASN A 90 6.593 -14.629 -1.563 1.00 0.00 O ATOM 1419 ND2 ASN A 90 7.779 -13.367 -0.183 1.00 0.00 N ATOM 0 H ASN A 90 3.078 -13.260 1.072 1.00 0.00 H new ATOM 0 HA ASN A 90 4.658 -14.022 2.364 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.453 -15.163 1.422 1.00 0.00 H new ATOM 0 HB3 ASN A 90 5.105 -15.278 0.308 1.00 0.00 H new ATOM 0 HD21 ASN A 90 8.432 -13.122 -0.927 1.00 0.00 H new ATOM 0 HD22 ASN A 90 7.911 -12.991 0.756 1.00 0.00 H new ATOM 1426 N GLN A 91 5.446 -11.258 2.467 1.00 0.00 N ATOM 1427 CA GLN A 91 6.132 -10.061 2.975 1.00 0.00 C ATOM 1428 C GLN A 91 6.942 -9.328 1.889 1.00 0.00 C ATOM 1429 O GLN A 91 7.715 -8.430 2.214 1.00 0.00 O ATOM 1430 CB GLN A 91 6.989 -10.304 4.236 1.00 0.00 C ATOM 1431 CG GLN A 91 6.270 -11.014 5.391 1.00 0.00 C ATOM 1432 CD GLN A 91 7.082 -10.944 6.685 1.00 0.00 C ATOM 1433 OE1 GLN A 91 6.571 -10.542 7.721 1.00 0.00 O ATOM 1434 NE2 GLN A 91 8.352 -11.325 6.681 1.00 0.00 N ATOM 0 H GLN A 91 4.449 -11.091 2.331 1.00 0.00 H new ATOM 0 HA GLN A 91 5.319 -9.405 3.285 1.00 0.00 H new ATOM 0 HB2 GLN A 91 7.861 -10.895 3.954 1.00 0.00 H new ATOM 0 HB3 GLN A 91 7.358 -9.343 4.595 1.00 0.00 H new ATOM 0 HG2 GLN A 91 5.293 -10.557 5.548 1.00 0.00 H new ATOM 0 HG3 GLN A 91 6.095 -12.057 5.126 1.00 0.00 H new ATOM 0 HE21 GLN A 91 8.781 -11.661 5.819 1.00 0.00 H new ATOM 0 HE22 GLN A 91 8.900 -11.282 7.540 1.00 0.00 H new ATOM 1443 N ALA A 92 6.739 -9.625 0.607 1.00 0.00 N ATOM 1444 CA ALA A 92 7.401 -8.995 -0.524 1.00 0.00 C ATOM 1445 C ALA A 92 6.345 -8.372 -1.446 1.00 0.00 C ATOM 1446 O ALA A 92 5.138 -8.560 -1.257 1.00 0.00 O ATOM 1447 CB ALA A 92 8.244 -10.053 -1.252 1.00 0.00 C ATOM 0 H ALA A 92 6.077 -10.346 0.320 1.00 0.00 H new ATOM 0 HA ALA A 92 8.065 -8.196 -0.193 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.747 -9.595 -2.104 1.00 0.00 H new ATOM 0 HB2 ALA A 92 8.988 -10.460 -0.567 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.596 -10.856 -1.603 1.00 0.00 H new ATOM 1453 N THR A 93 6.809 -7.636 -2.456 1.00 0.00 N ATOM 1454 CA THR A 93 6.008 -7.198 -3.586 1.00 0.00 C ATOM 1455 C THR A 93 6.628 -7.821 -4.840 1.00 0.00 C ATOM 1456 O THR A 93 7.801 -8.204 -4.858 1.00 0.00 O ATOM 1457 CB THR A 93 5.854 -5.657 -3.605 1.00 0.00 C ATOM 1458 OG1 THR A 93 4.835 -5.266 -4.513 1.00 0.00 O ATOM 1459 CG2 THR A 93 7.135 -4.871 -3.914 1.00 0.00 C ATOM 0 H THR A 93 7.778 -7.323 -2.507 1.00 0.00 H new ATOM 0 HA THR A 93 4.976 -7.543 -3.522 1.00 0.00 H new ATOM 0 HB THR A 93 5.586 -5.401 -2.580 1.00 0.00 H new ATOM 0 HG1 THR A 93 4.257 -6.033 -4.706 1.00 0.00 H new ATOM 0 HG21 THR A 93 6.918 -3.803 -3.903 1.00 0.00 H new ATOM 0 HG22 THR A 93 7.890 -5.096 -3.161 1.00 0.00 H new ATOM 0 HG23 THR A 93 7.508 -5.155 -4.898 1.00 0.00 H new ATOM 1467 N THR A 94 5.819 -7.947 -5.880 1.00 0.00 N ATOM 1468 CA THR A 94 6.019 -8.725 -7.088 1.00 0.00 C ATOM 1469 C THR A 94 5.575 -7.838 -8.255 1.00 0.00 C ATOM 1470 O THR A 94 4.964 -6.793 -8.017 1.00 0.00 O ATOM 1471 CB THR A 94 5.146 -9.993 -6.986 1.00 0.00 C ATOM 1472 OG1 THR A 94 3.774 -9.642 -6.937 1.00 0.00 O ATOM 1473 CG2 THR A 94 5.474 -10.873 -5.774 1.00 0.00 C ATOM 0 H THR A 94 4.923 -7.461 -5.899 1.00 0.00 H new ATOM 0 HA THR A 94 7.055 -9.031 -7.231 1.00 0.00 H new ATOM 0 HB THR A 94 5.368 -10.577 -7.880 1.00 0.00 H new ATOM 0 HG1 THR A 94 3.229 -10.416 -7.192 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.820 -11.745 -5.770 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.513 -11.199 -5.831 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.323 -10.302 -4.858 1.00 0.00 H new ATOM 1481 N LYS A 95 5.772 -8.241 -9.518 1.00 0.00 N ATOM 1482 CA LYS A 95 5.198 -7.455 -10.616 1.00 0.00 C ATOM 1483 C LYS A 95 3.677 -7.360 -10.502 1.00 0.00 C ATOM 1484 O LYS A 95 3.119 -6.290 -10.747 1.00 0.00 O ATOM 1485 CB LYS A 95 5.637 -7.965 -11.996 1.00 0.00 C ATOM 1486 CG LYS A 95 6.912 -7.212 -12.393 1.00 0.00 C ATOM 1487 CD LYS A 95 7.387 -7.560 -13.804 1.00 0.00 C ATOM 1488 CE LYS A 95 8.539 -6.648 -14.254 1.00 0.00 C ATOM 1489 NZ LYS A 95 9.688 -6.670 -13.319 1.00 0.00 N ATOM 0 H LYS A 95 6.300 -9.068 -9.797 1.00 0.00 H new ATOM 0 HA LYS A 95 5.597 -6.445 -10.521 1.00 0.00 H new ATOM 0 HB2 LYS A 95 5.822 -9.039 -11.965 1.00 0.00 H new ATOM 0 HB3 LYS A 95 4.851 -7.798 -12.732 1.00 0.00 H new ATOM 0 HG2 LYS A 95 6.730 -6.139 -12.329 1.00 0.00 H new ATOM 0 HG3 LYS A 95 7.703 -7.444 -11.680 1.00 0.00 H new ATOM 0 HD2 LYS A 95 7.713 -8.600 -13.833 1.00 0.00 H new ATOM 0 HD3 LYS A 95 6.555 -7.467 -14.502 1.00 0.00 H new ATOM 0 HE2 LYS A 95 8.876 -6.957 -15.243 1.00 0.00 H new ATOM 0 HE3 LYS A 95 8.172 -5.626 -14.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 10.467 -6.105 -13.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 9.399 -6.270 -12.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 10.006 -7.651 -13.183 1.00 0.00 H new ATOM 1503 N THR A 96 3.001 -8.436 -10.114 1.00 0.00 N ATOM 1504 CA THR A 96 1.546 -8.461 -10.056 1.00 0.00 C ATOM 1505 C THR A 96 1.000 -7.649 -8.875 1.00 0.00 C ATOM 1506 O THR A 96 -0.100 -7.114 -8.999 1.00 0.00 O ATOM 1507 CB THR A 96 1.089 -9.925 -10.063 1.00 0.00 C ATOM 1508 OG1 THR A 96 1.727 -10.540 -11.166 1.00 0.00 O ATOM 1509 CG2 THR A 96 -0.421 -10.095 -10.246 1.00 0.00 C ATOM 0 H THR A 96 3.444 -9.310 -9.832 1.00 0.00 H new ATOM 0 HA THR A 96 1.129 -7.968 -10.934 1.00 0.00 H new ATOM 0 HB THR A 96 1.345 -10.365 -9.099 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.465 -11.483 -11.211 1.00 0.00 H new ATOM 0 HG21 THR A 96 -0.671 -11.156 -10.241 1.00 0.00 H new ATOM 0 HG22 THR A 96 -0.945 -9.595 -9.431 1.00 0.00 H new ATOM 0 HG23 THR A 96 -0.724 -9.655 -11.196 1.00 0.00 H new ATOM 1517 N THR A 97 1.746 -7.479 -7.775 1.00 0.00 N ATOM 1518 CA THR A 97 1.325 -6.594 -6.687 1.00 0.00 C ATOM 1519 C THR A 97 1.848 -5.171 -6.885 1.00 0.00 C ATOM 1520 O THR A 97 1.335 -4.262 -6.249 1.00 0.00 O ATOM 1521 CB THR A 97 1.720 -7.154 -5.311 1.00 0.00 C ATOM 1522 OG1 THR A 97 3.105 -7.415 -5.250 1.00 0.00 O ATOM 1523 CG2 THR A 97 0.972 -8.450 -4.995 1.00 0.00 C ATOM 0 H THR A 97 2.641 -7.942 -7.618 1.00 0.00 H new ATOM 0 HA THR A 97 0.236 -6.547 -6.715 1.00 0.00 H new ATOM 0 HB THR A 97 1.452 -6.394 -4.577 1.00 0.00 H new ATOM 0 HG1 THR A 97 3.311 -8.215 -5.777 1.00 0.00 H new ATOM 0 HG21 THR A 97 1.277 -8.816 -4.015 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.101 -8.260 -4.994 1.00 0.00 H new ATOM 0 HG23 THR A 97 1.207 -9.199 -5.751 1.00 0.00 H new ATOM 1531 N PHE A 98 2.810 -4.940 -7.783 1.00 0.00 N ATOM 1532 CA PHE A 98 3.379 -3.626 -8.069 1.00 0.00 C ATOM 1533 C PHE A 98 2.252 -2.760 -8.605 1.00 0.00 C ATOM 1534 O PHE A 98 1.886 -1.772 -7.978 1.00 0.00 O ATOM 1535 CB PHE A 98 4.581 -3.728 -9.038 1.00 0.00 C ATOM 1536 CG PHE A 98 4.631 -2.717 -10.177 1.00 0.00 C ATOM 1537 CD1 PHE A 98 4.817 -1.350 -9.906 1.00 0.00 C ATOM 1538 CD2 PHE A 98 4.451 -3.138 -11.509 1.00 0.00 C ATOM 1539 CE1 PHE A 98 4.820 -0.408 -10.950 1.00 0.00 C ATOM 1540 CE2 PHE A 98 4.468 -2.199 -12.556 1.00 0.00 C ATOM 1541 CZ PHE A 98 4.646 -0.833 -12.278 1.00 0.00 C ATOM 0 H PHE A 98 3.224 -5.684 -8.345 1.00 0.00 H new ATOM 0 HA PHE A 98 3.788 -3.170 -7.167 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.497 -3.629 -8.455 1.00 0.00 H new ATOM 0 HB3 PHE A 98 4.585 -4.728 -9.471 1.00 0.00 H new ATOM 0 HD1 PHE A 98 4.959 -1.021 -8.887 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.299 -4.185 -11.727 1.00 0.00 H new ATOM 0 HE1 PHE A 98 4.956 0.641 -10.731 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.344 -2.529 -13.577 1.00 0.00 H new ATOM 0 HZ PHE A 98 4.649 -0.112 -13.082 1.00 0.00 H new ATOM 1551 N LYS A 99 1.664 -3.178 -9.728 1.00 0.00 N ATOM 1552 CA LYS A 99 0.587 -2.487 -10.422 1.00 0.00 C ATOM 1553 C LYS A 99 -0.491 -1.981 -9.469 1.00 0.00 C ATOM 1554 O LYS A 99 -0.697 -0.764 -9.431 1.00 0.00 O ATOM 1555 CB LYS A 99 -0.007 -3.416 -11.486 1.00 0.00 C ATOM 1556 CG LYS A 99 0.670 -3.299 -12.856 1.00 0.00 C ATOM 1557 CD LYS A 99 0.340 -1.962 -13.527 1.00 0.00 C ATOM 1558 CE LYS A 99 0.835 -1.920 -14.973 1.00 0.00 C ATOM 1559 NZ LYS A 99 0.557 -0.602 -15.572 1.00 0.00 N ATOM 0 H LYS A 99 1.940 -4.043 -10.194 1.00 0.00 H new ATOM 0 HA LYS A 99 1.006 -1.603 -10.903 1.00 0.00 H new ATOM 0 HB2 LYS A 99 0.071 -4.447 -11.140 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -1.069 -3.196 -11.596 1.00 0.00 H new ATOM 0 HG2 LYS A 99 1.750 -3.393 -12.740 1.00 0.00 H new ATOM 0 HG3 LYS A 99 0.345 -4.120 -13.496 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -0.738 -1.800 -13.506 1.00 0.00 H new ATOM 0 HD3 LYS A 99 0.796 -1.149 -12.962 1.00 0.00 H new ATOM 0 HE2 LYS A 99 1.906 -2.122 -15.004 1.00 0.00 H new ATOM 0 HE3 LYS A 99 0.346 -2.702 -15.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 0.899 -0.588 -16.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -0.468 -0.424 -15.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 1.044 0.137 -15.026 1.00 0.00 H new ATOM 1573 N PRO A 100 -1.183 -2.847 -8.706 1.00 0.00 N ATOM 1574 CA PRO A 100 -2.228 -2.387 -7.813 1.00 0.00 C ATOM 1575 C PRO A 100 -1.637 -1.502 -6.722 1.00 0.00 C ATOM 1576 O PRO A 100 -2.221 -0.462 -6.436 1.00 0.00 O ATOM 1577 CB PRO A 100 -2.902 -3.641 -7.264 1.00 0.00 C ATOM 1578 CG PRO A 100 -1.782 -4.675 -7.318 1.00 0.00 C ATOM 1579 CD PRO A 100 -1.035 -4.293 -8.592 1.00 0.00 C ATOM 0 HA PRO A 100 -2.967 -1.768 -8.322 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -3.267 -3.492 -6.248 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -3.758 -3.939 -7.870 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -1.139 -4.621 -6.440 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.172 -5.692 -7.366 1.00 0.00 H new ATOM 0 HD2 PRO A 100 0.016 -4.577 -8.532 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.454 -4.801 -9.461 1.00 0.00 H new ATOM 1587 N ASN A 101 -0.455 -1.814 -6.175 1.00 0.00 N ATOM 1588 CA ASN A 101 0.099 -1.023 -5.108 1.00 0.00 C ATOM 1589 C ASN A 101 0.462 0.387 -5.578 1.00 0.00 C ATOM 1590 O ASN A 101 0.483 1.296 -4.762 1.00 0.00 O ATOM 1591 CB ASN A 101 1.290 -1.731 -4.502 1.00 0.00 C ATOM 1592 CG ASN A 101 0.852 -2.776 -3.481 1.00 0.00 C ATOM 1593 OD1 ASN A 101 -0.200 -2.705 -2.852 1.00 0.00 O ATOM 1594 ND2 ASN A 101 1.632 -3.810 -3.307 1.00 0.00 N ATOM 0 H ASN A 101 0.120 -2.606 -6.462 1.00 0.00 H new ATOM 0 HA ASN A 101 -0.663 -0.908 -4.337 1.00 0.00 H new ATOM 0 HB2 ASN A 101 1.871 -2.210 -5.290 1.00 0.00 H new ATOM 0 HB3 ASN A 101 1.944 -1.002 -4.023 1.00 0.00 H new ATOM 0 HD21 ASN A 101 1.364 -4.547 -2.654 1.00 0.00 H new ATOM 0 HD22 ASN A 101 2.509 -3.880 -3.824 1.00 0.00 H new ATOM 1601 N THR A 102 0.676 0.639 -6.876 1.00 0.00 N ATOM 1602 CA THR A 102 0.812 2.018 -7.349 1.00 0.00 C ATOM 1603 C THR A 102 -0.434 2.843 -6.987 1.00 0.00 C ATOM 1604 O THR A 102 -0.332 3.995 -6.580 1.00 0.00 O ATOM 1605 CB THR A 102 1.097 2.111 -8.857 1.00 0.00 C ATOM 1606 OG1 THR A 102 -0.039 1.817 -9.655 1.00 0.00 O ATOM 1607 CG2 THR A 102 2.195 1.224 -9.408 1.00 0.00 C ATOM 0 H THR A 102 0.757 -0.075 -7.599 1.00 0.00 H new ATOM 0 HA THR A 102 1.680 2.435 -6.838 1.00 0.00 H new ATOM 0 HB THR A 102 1.416 3.151 -8.924 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.411 0.950 -9.388 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.292 1.389 -10.481 1.00 0.00 H new ATOM 0 HG22 THR A 102 3.138 1.465 -8.918 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.946 0.179 -9.222 1.00 0.00 H new ATOM 1615 N TRP A 103 -1.616 2.242 -7.104 1.00 0.00 N ATOM 1616 CA TRP A 103 -2.884 2.852 -6.730 1.00 0.00 C ATOM 1617 C TRP A 103 -3.056 2.955 -5.212 1.00 0.00 C ATOM 1618 O TRP A 103 -3.819 3.816 -4.772 1.00 0.00 O ATOM 1619 CB TRP A 103 -4.069 2.070 -7.292 1.00 0.00 C ATOM 1620 CG TRP A 103 -4.243 1.998 -8.777 1.00 0.00 C ATOM 1621 CD1 TRP A 103 -3.700 1.078 -9.604 1.00 0.00 C ATOM 1622 CD2 TRP A 103 -5.141 2.794 -9.603 1.00 0.00 C ATOM 1623 NE1 TRP A 103 -4.218 1.237 -10.875 1.00 0.00 N ATOM 1624 CE2 TRP A 103 -5.166 2.241 -10.916 1.00 0.00 C ATOM 1625 CE3 TRP A 103 -5.996 3.883 -9.340 1.00 0.00 C ATOM 1626 CZ2 TRP A 103 -6.052 2.714 -11.898 1.00 0.00 C ATOM 1627 CZ3 TRP A 103 -6.873 4.379 -10.320 1.00 0.00 C ATOM 1628 CH2 TRP A 103 -6.909 3.784 -11.592 1.00 0.00 C ATOM 0 H TRP A 103 -1.718 1.296 -7.470 1.00 0.00 H new ATOM 0 HA TRP A 103 -2.864 3.855 -7.156 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -3.999 1.049 -6.918 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -4.978 2.501 -6.873 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -2.973 0.333 -9.316 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -3.935 0.682 -11.683 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -5.977 4.346 -8.365 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -6.074 2.260 -12.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -7.518 5.216 -10.096 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -7.599 4.151 -12.338 1.00 0.00 H new ATOM 1639 N CYS A 104 -2.356 2.131 -4.420 1.00 0.00 N ATOM 1640 CA CYS A 104 -2.160 2.436 -3.009 1.00 0.00 C ATOM 1641 C CYS A 104 -1.424 3.762 -2.922 1.00 0.00 C ATOM 1642 O CYS A 104 -1.953 4.652 -2.281 1.00 0.00 O ATOM 1643 CB CYS A 104 -1.435 1.321 -2.228 1.00 0.00 C ATOM 1644 SG CYS A 104 -0.538 1.996 -0.790 1.00 0.00 S ATOM 0 H CYS A 104 -1.924 1.262 -4.733 1.00 0.00 H new ATOM 0 HA CYS A 104 -3.135 2.507 -2.527 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -2.159 0.579 -1.892 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -0.735 0.808 -2.888 1.00 0.00 H new ATOM 0 HG CYS A 104 0.684 1.553 -0.794 1.00 0.00 H new ATOM 1650 N LEU A 105 -0.259 3.915 -3.568 1.00 0.00 N ATOM 1651 CA LEU A 105 0.608 5.086 -3.413 1.00 0.00 C ATOM 1652 C LEU A 105 -0.195 6.349 -3.734 1.00 0.00 C ATOM 1653 O LEU A 105 -0.153 7.312 -2.975 1.00 0.00 O ATOM 1654 CB LEU A 105 1.892 4.929 -4.261 1.00 0.00 C ATOM 1655 CG LEU A 105 2.759 3.726 -3.830 1.00 0.00 C ATOM 1656 CD1 LEU A 105 3.932 3.520 -4.790 1.00 0.00 C ATOM 1657 CD2 LEU A 105 3.305 3.876 -2.410 1.00 0.00 C ATOM 0 H LEU A 105 0.109 3.221 -4.219 1.00 0.00 H new ATOM 0 HA LEU A 105 0.950 5.176 -2.382 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.616 4.813 -5.309 1.00 0.00 H new ATOM 0 HB3 LEU A 105 2.484 5.841 -4.186 1.00 0.00 H new ATOM 0 HG LEU A 105 2.101 2.857 -3.856 1.00 0.00 H new ATOM 0 HD11 LEU A 105 4.525 2.666 -4.462 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.552 3.333 -5.794 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.556 4.414 -4.799 1.00 0.00 H new ATOM 0 HD21 LEU A 105 3.907 3.003 -2.158 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.922 4.772 -2.350 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.475 3.960 -1.708 1.00 0.00 H new ATOM 1669 N ARG A 106 -1.035 6.305 -4.774 1.00 0.00 N ATOM 1670 CA ARG A 106 -1.927 7.414 -5.132 1.00 0.00 C ATOM 1671 C ARG A 106 -2.953 7.789 -4.059 1.00 0.00 C ATOM 1672 O ARG A 106 -3.458 8.904 -4.102 1.00 0.00 O ATOM 1673 CB ARG A 106 -2.654 7.095 -6.444 1.00 0.00 C ATOM 1674 CG ARG A 106 -1.649 7.000 -7.588 1.00 0.00 C ATOM 1675 CD ARG A 106 -2.319 6.903 -8.961 1.00 0.00 C ATOM 1676 NE ARG A 106 -1.571 7.656 -9.976 1.00 0.00 N ATOM 1677 CZ ARG A 106 -0.612 7.194 -10.784 1.00 0.00 C ATOM 1678 NH1 ARG A 106 -0.369 5.895 -10.898 1.00 0.00 N ATOM 1679 NH2 ARG A 106 0.123 8.034 -11.499 1.00 0.00 N ATOM 0 H ARG A 106 -1.116 5.498 -5.392 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.278 8.283 -5.240 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -3.198 6.156 -6.348 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -3.390 7.870 -6.659 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -0.999 7.874 -7.567 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -1.014 6.127 -7.436 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -2.390 5.857 -9.260 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -3.338 7.286 -8.899 1.00 0.00 H new ATOM 0 HE ARG A 106 -1.810 8.643 -10.075 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -0.920 5.224 -10.362 1.00 0.00 H new ATOM 0 HH12 ARG A 106 0.369 5.567 -11.522 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -0.042 9.038 -11.434 1.00 0.00 H new ATOM 0 HH22 ARG A 106 0.854 7.676 -12.114 1.00 0.00 H new ATOM 1693 N CYS A 107 -3.292 6.892 -3.135 1.00 0.00 N ATOM 1694 CA CYS A 107 -4.212 7.168 -2.040 1.00 0.00 C ATOM 1695 C CYS A 107 -3.530 8.076 -1.017 1.00 0.00 C ATOM 1696 O CYS A 107 -4.201 8.893 -0.395 1.00 0.00 O ATOM 1697 CB CYS A 107 -4.606 5.841 -1.360 1.00 0.00 C ATOM 1698 SG CYS A 107 -5.980 6.033 -0.185 1.00 0.00 S ATOM 0 H CYS A 107 -2.928 5.939 -3.128 1.00 0.00 H new ATOM 0 HA CYS A 107 -5.103 7.662 -2.428 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -4.886 5.116 -2.124 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -3.740 5.435 -0.837 1.00 0.00 H new ATOM 0 HG CYS A 107 -6.260 4.881 0.347 1.00 0.00 H new ATOM 1704 N LEU A 108 -2.226 7.899 -0.772 1.00 0.00 N ATOM 1705 CA LEU A 108 -1.498 8.620 0.258 1.00 0.00 C ATOM 1706 C LEU A 108 -1.320 10.089 -0.118 1.00 0.00 C ATOM 1707 O LEU A 108 -1.280 10.921 0.790 1.00 0.00 O ATOM 1708 CB LEU A 108 -0.091 8.041 0.373 1.00 0.00 C ATOM 1709 CG LEU A 108 0.132 6.638 0.928 1.00 0.00 C ATOM 1710 CD1 LEU A 108 -0.192 6.526 2.415 1.00 0.00 C ATOM 1711 CD2 LEU A 108 -0.571 5.530 0.187 1.00 0.00 C ATOM 0 H LEU A 108 -1.647 7.241 -1.294 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.064 8.529 1.185 1.00 0.00 H new ATOM 0 HB2 LEU A 108 0.348 8.064 -0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.488 8.726 0.992 1.00 0.00 H new ATOM 0 HG LEU A 108 1.201 6.494 0.774 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -0.013 5.504 2.750 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.444 7.209 2.978 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.238 6.784 2.580 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.347 4.575 0.662 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -1.647 5.703 0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -0.229 5.510 -0.848 1.00 0.00 H new ATOM 1723 N TRP A 109 -1.130 10.357 -1.420 1.00 0.00 N ATOM 1724 CA TRP A 109 -0.745 11.620 -2.029 1.00 0.00 C ATOM 1725 C TRP A 109 -1.661 12.721 -1.519 1.00 0.00 C ATOM 1726 O TRP A 109 -2.874 12.685 -1.746 1.00 0.00 O ATOM 1727 CB TRP A 109 -0.809 11.465 -3.560 1.00 0.00 C ATOM 1728 CG TRP A 109 0.208 10.579 -4.227 1.00 0.00 C ATOM 1729 CD1 TRP A 109 1.170 9.880 -3.592 1.00 0.00 C ATOM 1730 CD2 TRP A 109 0.381 10.254 -5.643 1.00 0.00 C ATOM 1731 NE1 TRP A 109 1.904 9.142 -4.490 1.00 0.00 N ATOM 1732 CE2 TRP A 109 1.445 9.310 -5.774 1.00 0.00 C ATOM 1733 CE3 TRP A 109 -0.281 10.623 -6.831 1.00 0.00 C ATOM 1734 CZ2 TRP A 109 1.814 8.746 -7.005 1.00 0.00 C ATOM 1735 CZ3 TRP A 109 0.106 10.103 -8.081 1.00 0.00 C ATOM 1736 CH2 TRP A 109 1.126 9.137 -8.164 1.00 0.00 C ATOM 0 H TRP A 109 -1.255 9.629 -2.123 1.00 0.00 H new ATOM 0 HA TRP A 109 0.275 11.895 -1.760 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -1.799 11.087 -3.815 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -0.724 12.459 -3.999 1.00 0.00 H new ATOM 0 HD1 TRP A 109 1.340 9.897 -2.526 1.00 0.00 H new ATOM 0 HE1 TRP A 109 2.691 8.545 -4.235 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -1.104 11.321 -6.782 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 2.614 8.023 -7.059 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -0.382 10.447 -8.981 1.00 0.00 H new ATOM 0 HH2 TRP A 109 1.379 8.697 -9.118 1.00 0.00 H new ATOM 1747 N SER A 110 -1.093 13.658 -0.775 1.00 0.00 N ATOM 1748 CA SER A 110 -1.852 14.732 -0.176 1.00 0.00 C ATOM 1749 C SER A 110 -2.108 15.830 -1.199 1.00 0.00 C ATOM 1750 O SER A 110 -1.492 15.891 -2.268 1.00 0.00 O ATOM 1751 CB SER A 110 -1.162 15.233 1.099 1.00 0.00 C ATOM 1752 OG SER A 110 -1.341 14.288 2.147 1.00 0.00 O ATOM 0 H SER A 110 -0.094 13.690 -0.573 1.00 0.00 H new ATOM 0 HA SER A 110 -2.830 14.363 0.133 1.00 0.00 H new ATOM 0 HB2 SER A 110 -0.099 15.386 0.912 1.00 0.00 H new ATOM 0 HB3 SER A 110 -1.576 16.198 1.392 1.00 0.00 H new ATOM 0 HG SER A 110 -0.994 13.416 1.864 1.00 0.00 H new ATOM 1758 N THR A 111 -3.078 16.690 -0.905 1.00 0.00 N ATOM 1759 CA THR A 111 -3.371 17.858 -1.719 1.00 0.00 C ATOM 1760 C THR A 111 -2.515 19.032 -1.229 1.00 0.00 C ATOM 1761 O THR A 111 -1.989 18.984 -0.112 1.00 0.00 O ATOM 1762 CB THR A 111 -4.885 18.121 -1.673 1.00 0.00 C ATOM 1763 OG1 THR A 111 -5.341 18.279 -0.341 1.00 0.00 O ATOM 1764 CG2 THR A 111 -5.653 16.949 -2.299 1.00 0.00 C ATOM 0 H THR A 111 -3.684 16.593 -0.091 1.00 0.00 H new ATOM 0 HA THR A 111 -3.112 17.705 -2.767 1.00 0.00 H new ATOM 0 HB THR A 111 -5.066 19.038 -2.233 1.00 0.00 H new ATOM 0 HG1 THR A 111 -6.307 18.447 -0.343 1.00 0.00 H new ATOM 0 HG21 THR A 111 -6.723 17.152 -2.258 1.00 0.00 H new ATOM 0 HG22 THR A 111 -5.346 16.827 -3.338 1.00 0.00 H new ATOM 0 HG23 THR A 111 -5.436 16.035 -1.746 1.00 0.00 H new ATOM 1772 N LYS A 112 -2.470 20.103 -2.027 1.00 0.00 N ATOM 1773 CA LYS A 112 -1.599 21.262 -1.993 1.00 0.00 C ATOM 1774 C LYS A 112 -0.121 20.827 -2.095 1.00 0.00 C ATOM 1775 O LYS A 112 0.364 20.115 -1.223 1.00 0.00 O ATOM 1776 CB LYS A 112 -1.947 22.071 -0.749 1.00 0.00 C ATOM 1777 CG LYS A 112 -1.410 23.498 -0.656 1.00 0.00 C ATOM 1778 CD LYS A 112 0.115 23.592 -0.713 1.00 0.00 C ATOM 1779 CE LYS A 112 0.685 24.732 0.118 1.00 0.00 C ATOM 1780 NZ LYS A 112 2.133 24.860 -0.120 1.00 0.00 N ATOM 0 H LYS A 112 -3.127 20.178 -2.803 1.00 0.00 H new ATOM 0 HA LYS A 112 -1.751 21.914 -2.854 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -3.033 22.116 -0.671 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -1.588 21.520 0.120 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -1.831 24.088 -1.470 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -1.757 23.946 0.275 1.00 0.00 H new ATOM 0 HD2 LYS A 112 0.542 22.651 -0.366 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.425 23.719 -1.750 1.00 0.00 H new ATOM 0 HE2 LYS A 112 0.183 25.665 -0.138 1.00 0.00 H new ATOM 0 HE3 LYS A 112 0.498 24.549 1.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 2.641 24.793 0.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 2.450 24.097 -0.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 2.332 25.780 -0.561 1.00 0.00 H new ATOM 1794 N PRO A 113 0.627 21.275 -3.118 1.00 0.00 N ATOM 1795 CA PRO A 113 2.033 20.943 -3.290 1.00 0.00 C ATOM 1796 C PRO A 113 2.886 21.511 -2.152 1.00 0.00 C ATOM 1797 O PRO A 113 2.797 22.691 -1.799 1.00 0.00 O ATOM 1798 CB PRO A 113 2.426 21.537 -4.643 1.00 0.00 C ATOM 1799 CG PRO A 113 1.482 22.729 -4.789 1.00 0.00 C ATOM 1800 CD PRO A 113 0.203 22.218 -4.130 1.00 0.00 C ATOM 0 HA PRO A 113 2.199 19.866 -3.264 1.00 0.00 H new ATOM 0 HB2 PRO A 113 3.471 21.847 -4.658 1.00 0.00 H new ATOM 0 HB3 PRO A 113 2.295 20.818 -5.452 1.00 0.00 H new ATOM 0 HG2 PRO A 113 1.869 23.617 -4.290 1.00 0.00 H new ATOM 0 HG3 PRO A 113 1.322 22.995 -5.834 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -0.363 23.038 -3.687 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -0.449 21.740 -4.861 1.00 0.00 H new ATOM 1808 N VAL A 114 3.772 20.681 -1.620 1.00 0.00 N ATOM 1809 CA VAL A 114 4.699 20.986 -0.545 1.00 0.00 C ATOM 1810 C VAL A 114 6.037 20.502 -1.045 1.00 0.00 C ATOM 1811 O VAL A 114 6.572 19.498 -0.576 1.00 0.00 O ATOM 1812 CB VAL A 114 4.265 20.324 0.777 1.00 0.00 C ATOM 1813 CG1 VAL A 114 5.173 20.707 1.948 1.00 0.00 C ATOM 1814 CG2 VAL A 114 2.879 20.819 1.140 1.00 0.00 C ATOM 0 H VAL A 114 3.867 19.720 -1.949 1.00 0.00 H new ATOM 0 HA VAL A 114 4.735 22.049 -0.308 1.00 0.00 H new ATOM 0 HB VAL A 114 4.307 19.246 0.620 1.00 0.00 H new ATOM 0 HG11 VAL A 114 4.824 20.214 2.855 1.00 0.00 H new ATOM 0 HG12 VAL A 114 6.195 20.392 1.734 1.00 0.00 H new ATOM 0 HG13 VAL A 114 5.148 21.788 2.089 1.00 0.00 H new ATOM 0 HG21 VAL A 114 2.561 20.357 2.075 1.00 0.00 H new ATOM 0 HG22 VAL A 114 2.899 21.902 1.259 1.00 0.00 H new ATOM 0 HG23 VAL A 114 2.179 20.554 0.348 1.00 0.00 H new ATOM 1824 N ASP A 115 6.547 21.183 -2.067 1.00 0.00 N ATOM 1825 CA ASP A 115 7.875 20.892 -2.571 1.00 0.00 C ATOM 1826 C ASP A 115 8.717 22.162 -2.701 1.00 0.00 C ATOM 1827 O ASP A 115 9.909 22.097 -3.001 1.00 0.00 O ATOM 1828 CB ASP A 115 7.793 20.191 -3.934 1.00 0.00 C ATOM 1829 CG ASP A 115 6.992 18.892 -3.917 1.00 0.00 C ATOM 1830 OD1 ASP A 115 7.437 17.890 -3.314 1.00 0.00 O ATOM 1831 OD2 ASP A 115 5.871 18.876 -4.472 1.00 0.00 O ATOM 0 H ASP A 115 6.061 21.934 -2.556 1.00 0.00 H new ATOM 0 HA ASP A 115 8.357 20.231 -1.851 1.00 0.00 H new ATOM 0 HB2 ASP A 115 7.344 20.873 -4.656 1.00 0.00 H new ATOM 0 HB3 ASP A 115 8.803 19.978 -4.283 1.00 0.00 H new ATOM 1836 N THR A 116 8.095 23.331 -2.530 1.00 0.00 N ATOM 1837 CA THR A 116 8.711 24.644 -2.652 1.00 0.00 C ATOM 1838 C THR A 116 8.099 25.494 -1.551 1.00 0.00 C ATOM 1839 O THR A 116 8.580 25.412 -0.402 1.00 0.00 O ATOM 1840 CB THR A 116 8.504 25.182 -4.082 1.00 0.00 C ATOM 1841 OG1 THR A 116 9.041 24.261 -5.012 1.00 0.00 O ATOM 1842 CG2 THR A 116 9.181 26.534 -4.326 1.00 0.00 C ATOM 0 H THR A 116 7.105 23.385 -2.292 1.00 0.00 H new ATOM 0 HA THR A 116 9.793 24.637 -2.518 1.00 0.00 H new ATOM 0 HB THR A 116 7.429 25.314 -4.207 1.00 0.00 H new ATOM 0 HG1 THR A 116 8.909 24.600 -5.922 1.00 0.00 H new ATOM 0 HG21 THR A 116 8.995 26.854 -5.351 1.00 0.00 H new ATOM 0 HG22 THR A 116 8.775 27.274 -3.636 1.00 0.00 H new ATOM 0 HG23 THR A 116 10.255 26.438 -4.165 1.00 0.00 H new TER 1850 THR A 116