USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 836 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 32 TYR OH : rot 95:sc= -1.14! USER MOD Set 1.2: A 106 SER OG : rot 171:sc= 2.34 USER MOD Set 2.1: A 28 THR OG1 : rot -6:sc= 0.45! USER MOD Set 2.2: A 77 LYS NZ :NH3+ -110:sc= 0.482 (180deg=-0.085) USER MOD Set 3.1: A 69 THR OG1 : rot 80:sc= 0.423 USER MOD Set 3.2: A 82 GLN :FLIP amide:sc= 0 F(o=-1.4,f=-0.36) USER MOD Set 3.3: A 84 ASN : amide:sc= -0.782 K(o=-0.36,f=-4.8!) USER MOD Set 4.1: A 58 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 60 TYR OH : rot 180:sc= -0.0679 USER MOD Single : A 1 GLN : amide:sc= -0.0324 X(o=-0.032,f=-0.3) USER MOD Single : A 1 GLN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.0556 X(o=-0.056,f=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc=-0.00096 USER MOD Single : A 21 SER OG : rot -57:sc= 0.0514 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 120:sc= -1.25 USER MOD Single : A 34 MET CE :methyl -107:sc= -5.72! (180deg=-10.2!) USER MOD Single : A 39 GLN : amide:sc= -0.887 K(o=-0.89,f=-2.5!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 62:sc= 1.24 USER MOD Single : A 52 ASN : amide:sc= -2.5 K(o=-2.5,f=-5.8!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.0527 X(o=-0.053,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot -150:sc= 1.14 USER MOD Single : A 83 MET CE :methyl -175:sc= -7.97! (180deg=-8.04!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= -1.08 USER MOD Single : A 94 TYR OH : rot 180:sc= -0.208 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -0.976 K(o=-0.98,f=-5.1!) USER MOD Single : A 111 THR OG1 : rot 139:sc= -0.924 USER MOD Single : A 112 GLN :FLIP amide:sc= -0.0317 F(o=-2.9!,f=-0.032) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 15.905 13.303 1.462 1.00 0.00 N ATOM 2 CA GLN A 1 15.337 13.750 0.164 1.00 0.00 C ATOM 3 C GLN A 1 14.561 12.625 -0.515 1.00 0.00 C ATOM 4 O GLN A 1 14.869 12.235 -1.642 1.00 0.00 O ATOM 5 CB GLN A 1 16.484 14.221 -0.733 1.00 0.00 C ATOM 6 CG GLN A 1 16.780 15.707 -0.614 1.00 0.00 C ATOM 7 CD GLN A 1 17.404 16.280 -1.871 1.00 0.00 C ATOM 8 OE1 GLN A 1 16.908 16.067 -2.977 1.00 0.00 O ATOM 9 NE2 GLN A 1 18.500 17.012 -1.707 1.00 0.00 N ATOM 0 H1 GLN A 1 16.427 14.088 1.901 1.00 0.00 H new ATOM 0 H2 GLN A 1 15.135 13.003 2.093 1.00 0.00 H new ATOM 0 H3 GLN A 1 16.551 12.504 1.301 1.00 0.00 H new ATOM 0 HA GLN A 1 14.639 14.568 0.340 1.00 0.00 H new ATOM 0 HB2 GLN A 1 17.384 13.659 -0.483 1.00 0.00 H new ATOM 0 HB3 GLN A 1 16.241 13.989 -1.770 1.00 0.00 H new ATOM 0 HG2 GLN A 1 15.855 16.241 -0.396 1.00 0.00 H new ATOM 0 HG3 GLN A 1 17.451 15.874 0.229 1.00 0.00 H new ATOM 0 HE21 GLN A 1 18.877 17.163 -0.771 1.00 0.00 H new ATOM 0 HE22 GLN A 1 18.965 17.423 -2.517 1.00 0.00 H new ATOM 20 N VAL A 2 13.553 12.107 0.179 1.00 0.00 N ATOM 21 CA VAL A 2 12.732 11.026 -0.354 1.00 0.00 C ATOM 22 C VAL A 2 11.306 11.501 -0.615 1.00 0.00 C ATOM 23 O VAL A 2 10.847 12.476 -0.019 1.00 0.00 O ATOM 24 CB VAL A 2 12.692 9.806 0.597 1.00 0.00 C ATOM 25 CG1 VAL A 2 13.462 8.637 0.000 1.00 0.00 C ATOM 26 CG2 VAL A 2 13.240 10.161 1.974 1.00 0.00 C ATOM 0 H VAL A 2 13.285 12.419 1.112 1.00 0.00 H new ATOM 0 HA VAL A 2 13.193 10.719 -1.293 1.00 0.00 H new ATOM 0 HB VAL A 2 11.650 9.510 0.718 1.00 0.00 H new ATOM 0 HG11 VAL A 2 13.423 7.789 0.683 1.00 0.00 H new ATOM 0 HG12 VAL A 2 13.015 8.356 -0.954 1.00 0.00 H new ATOM 0 HG13 VAL A 2 14.501 8.928 -0.158 1.00 0.00 H new ATOM 0 HG21 VAL A 2 13.199 9.284 2.619 1.00 0.00 H new ATOM 0 HG22 VAL A 2 14.274 10.494 1.880 1.00 0.00 H new ATOM 0 HG23 VAL A 2 12.640 10.960 2.409 1.00 0.00 H new ATOM 36 N GLN A 3 10.611 10.805 -1.508 1.00 0.00 N ATOM 37 CA GLN A 3 9.237 11.154 -1.849 1.00 0.00 C ATOM 38 C GLN A 3 8.388 9.900 -2.032 1.00 0.00 C ATOM 39 O GLN A 3 8.903 8.835 -2.371 1.00 0.00 O ATOM 40 CB GLN A 3 9.205 11.996 -3.125 1.00 0.00 C ATOM 41 CG GLN A 3 9.721 11.260 -4.351 1.00 0.00 C ATOM 42 CD GLN A 3 8.782 11.368 -5.537 1.00 0.00 C ATOM 43 OE1 GLN A 3 9.148 11.893 -6.588 1.00 0.00 O ATOM 44 NE2 GLN A 3 7.562 10.870 -5.372 1.00 0.00 N ATOM 0 H GLN A 3 10.977 9.995 -2.009 1.00 0.00 H new ATOM 0 HA GLN A 3 8.821 11.737 -1.027 1.00 0.00 H new ATOM 0 HB2 GLN A 3 8.181 12.321 -3.311 1.00 0.00 H new ATOM 0 HB3 GLN A 3 9.802 12.895 -2.973 1.00 0.00 H new ATOM 0 HG2 GLN A 3 10.696 11.662 -4.627 1.00 0.00 H new ATOM 0 HG3 GLN A 3 9.868 10.209 -4.104 1.00 0.00 H new ATOM 0 HE21 GLN A 3 7.301 10.443 -4.483 1.00 0.00 H new ATOM 0 HE22 GLN A 3 6.886 10.914 -6.134 1.00 0.00 H new ATOM 53 N LEU A 4 7.086 10.034 -1.806 1.00 0.00 N ATOM 54 CA LEU A 4 6.167 8.911 -1.947 1.00 0.00 C ATOM 55 C LEU A 4 4.829 9.372 -2.516 1.00 0.00 C ATOM 56 O LEU A 4 4.168 10.242 -1.949 1.00 0.00 O ATOM 57 CB LEU A 4 5.954 8.227 -0.595 1.00 0.00 C ATOM 58 CG LEU A 4 7.199 7.558 -0.006 1.00 0.00 C ATOM 59 CD1 LEU A 4 7.797 8.419 1.096 1.00 0.00 C ATOM 60 CD2 LEU A 4 6.864 6.171 0.521 1.00 0.00 C ATOM 0 H LEU A 4 6.643 10.909 -1.525 1.00 0.00 H new ATOM 0 HA LEU A 4 6.608 8.196 -2.641 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.587 8.967 0.116 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.173 7.475 -0.704 1.00 0.00 H new ATOM 0 HG LEU A 4 7.939 7.453 -0.799 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.681 7.927 1.503 1.00 0.00 H new ATOM 0 HD12 LEU A 4 8.077 9.390 0.687 1.00 0.00 H new ATOM 0 HD13 LEU A 4 7.062 8.558 1.889 1.00 0.00 H new ATOM 0 HD21 LEU A 4 7.762 5.713 0.935 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.105 6.251 1.299 1.00 0.00 H new ATOM 0 HD23 LEU A 4 6.484 5.554 -0.294 1.00 0.00 H new ATOM 72 N GLN A 5 4.436 8.784 -3.642 1.00 0.00 N ATOM 73 CA GLN A 5 3.178 9.137 -4.290 1.00 0.00 C ATOM 74 C GLN A 5 2.456 7.894 -4.801 1.00 0.00 C ATOM 75 O GLN A 5 3.049 6.822 -4.916 1.00 0.00 O ATOM 76 CB GLN A 5 3.432 10.105 -5.447 1.00 0.00 C ATOM 77 CG GLN A 5 2.162 10.697 -6.037 1.00 0.00 C ATOM 78 CD GLN A 5 2.444 11.773 -7.066 1.00 0.00 C ATOM 79 OE1 GLN A 5 2.388 12.966 -6.766 1.00 0.00 O ATOM 80 NE2 GLN A 5 2.750 11.356 -8.290 1.00 0.00 N ATOM 0 H GLN A 5 4.971 8.061 -4.124 1.00 0.00 H new ATOM 0 HA GLN A 5 2.542 9.622 -3.549 1.00 0.00 H new ATOM 0 HB2 GLN A 5 4.072 10.915 -5.098 1.00 0.00 H new ATOM 0 HB3 GLN A 5 3.978 9.583 -6.233 1.00 0.00 H new ATOM 0 HG2 GLN A 5 1.576 9.903 -6.499 1.00 0.00 H new ATOM 0 HG3 GLN A 5 1.555 11.117 -5.235 1.00 0.00 H new ATOM 0 HE21 GLN A 5 2.785 10.357 -8.495 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.950 12.035 -9.025 1.00 0.00 H new ATOM 89 N GLU A 6 1.170 8.047 -5.106 1.00 0.00 N ATOM 90 CA GLU A 6 0.362 6.939 -5.605 1.00 0.00 C ATOM 91 C GLU A 6 -0.044 7.178 -7.057 1.00 0.00 C ATOM 92 O GLU A 6 0.037 8.300 -7.556 1.00 0.00 O ATOM 93 CB GLU A 6 -0.894 6.745 -4.740 1.00 0.00 C ATOM 94 CG GLU A 6 -0.909 7.580 -3.467 1.00 0.00 C ATOM 95 CD GLU A 6 0.152 7.149 -2.474 1.00 0.00 C ATOM 96 OE1 GLU A 6 -0.051 6.118 -1.800 1.00 0.00 O ATOM 97 OE2 GLU A 6 1.184 7.844 -2.370 1.00 0.00 O ATOM 0 H GLU A 6 0.665 8.929 -5.016 1.00 0.00 H new ATOM 0 HA GLU A 6 0.968 6.035 -5.552 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.773 6.993 -5.335 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -0.978 5.692 -4.472 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.757 8.629 -3.723 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.891 7.505 -2.999 1.00 0.00 H new ATOM 104 N SER A 7 -0.484 6.118 -7.728 1.00 0.00 N ATOM 105 CA SER A 7 -0.904 6.218 -9.121 1.00 0.00 C ATOM 106 C SER A 7 -1.838 5.070 -9.492 1.00 0.00 C ATOM 107 O SER A 7 -1.448 3.903 -9.455 1.00 0.00 O ATOM 108 CB SER A 7 0.316 6.224 -10.045 1.00 0.00 C ATOM 109 OG SER A 7 0.280 7.331 -10.929 1.00 0.00 O ATOM 0 H SER A 7 -0.559 5.182 -7.330 1.00 0.00 H new ATOM 0 HA SER A 7 -1.447 7.155 -9.245 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.228 6.260 -9.449 1.00 0.00 H new ATOM 0 HB3 SER A 7 0.347 5.297 -10.618 1.00 0.00 H new ATOM 0 HG SER A 7 1.071 7.313 -11.508 1.00 0.00 H new ATOM 115 N GLY A 8 -3.072 5.410 -9.850 1.00 0.00 N ATOM 116 CA GLY A 8 -4.043 4.398 -10.223 1.00 0.00 C ATOM 117 C GLY A 8 -5.210 4.330 -9.257 1.00 0.00 C ATOM 118 O GLY A 8 -6.332 4.007 -9.649 1.00 0.00 O ATOM 0 H GLY A 8 -3.417 6.369 -9.888 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -4.417 4.609 -11.225 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -3.552 3.426 -10.264 1.00 0.00 H new ATOM 122 N GLY A 9 -4.944 4.633 -7.990 1.00 0.00 N ATOM 123 CA GLY A 9 -5.979 4.599 -6.979 1.00 0.00 C ATOM 124 C GLY A 9 -7.228 5.349 -7.390 1.00 0.00 C ATOM 125 O GLY A 9 -7.154 6.415 -8.002 1.00 0.00 O ATOM 0 H GLY A 9 -4.022 4.903 -7.646 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -6.238 3.562 -6.766 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.591 5.028 -6.055 1.00 0.00 H new ATOM 129 N GLY A 10 -8.374 4.784 -7.049 1.00 0.00 N ATOM 130 CA GLY A 10 -9.641 5.403 -7.383 1.00 0.00 C ATOM 131 C GLY A 10 -10.821 4.502 -7.081 1.00 0.00 C ATOM 132 O GLY A 10 -10.717 3.577 -6.276 1.00 0.00 O ATOM 0 H GLY A 10 -8.451 3.902 -6.543 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -9.746 6.334 -6.825 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.647 5.663 -8.441 1.00 0.00 H new ATOM 136 N LEU A 11 -11.947 4.781 -7.724 1.00 0.00 N ATOM 137 CA LEU A 11 -13.157 4.007 -7.522 1.00 0.00 C ATOM 138 C LEU A 11 -13.023 2.602 -8.101 1.00 0.00 C ATOM 139 O LEU A 11 -12.302 2.387 -9.075 1.00 0.00 O ATOM 140 CB LEU A 11 -14.340 4.726 -8.159 1.00 0.00 C ATOM 141 CG LEU A 11 -14.476 6.180 -7.725 1.00 0.00 C ATOM 142 CD1 LEU A 11 -14.109 7.119 -8.864 1.00 0.00 C ATOM 143 CD2 LEU A 11 -15.884 6.466 -7.223 1.00 0.00 C ATOM 0 H LEU A 11 -12.044 5.544 -8.394 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.324 3.910 -6.449 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -14.237 4.687 -9.243 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -15.257 4.193 -7.907 1.00 0.00 H new ATOM 0 HG LEU A 11 -13.782 6.354 -6.903 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -14.213 8.152 -8.532 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.078 6.938 -9.167 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.773 6.941 -9.710 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -15.957 7.510 -6.919 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -16.601 6.269 -8.020 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -16.104 5.824 -6.370 1.00 0.00 H new ATOM 155 N VAL A 12 -13.723 1.650 -7.494 1.00 0.00 N ATOM 156 CA VAL A 12 -13.686 0.265 -7.946 1.00 0.00 C ATOM 157 C VAL A 12 -14.823 -0.542 -7.327 1.00 0.00 C ATOM 158 O VAL A 12 -14.788 -0.876 -6.143 1.00 0.00 O ATOM 159 CB VAL A 12 -12.342 -0.402 -7.602 1.00 0.00 C ATOM 160 CG1 VAL A 12 -12.092 -0.364 -6.102 1.00 0.00 C ATOM 161 CG2 VAL A 12 -12.301 -1.832 -8.122 1.00 0.00 C ATOM 0 H VAL A 12 -14.324 1.813 -6.686 1.00 0.00 H new ATOM 0 HA VAL A 12 -13.804 0.279 -9.029 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.547 0.159 -8.093 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.137 -0.840 -5.880 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.068 0.672 -5.763 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -12.891 -0.896 -5.586 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.342 -2.284 -7.868 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.106 -2.408 -7.666 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.425 -1.829 -9.205 1.00 0.00 H new ATOM 171 N GLN A 13 -15.829 -0.849 -8.137 1.00 0.00 N ATOM 172 CA GLN A 13 -16.978 -1.610 -7.683 1.00 0.00 C ATOM 173 C GLN A 13 -16.555 -2.950 -7.085 1.00 0.00 C ATOM 174 O GLN A 13 -15.542 -3.527 -7.482 1.00 0.00 O ATOM 175 CB GLN A 13 -17.939 -1.824 -8.854 1.00 0.00 C ATOM 176 CG GLN A 13 -17.508 -2.920 -9.817 1.00 0.00 C ATOM 177 CD GLN A 13 -17.980 -2.668 -11.235 1.00 0.00 C ATOM 178 OE1 GLN A 13 -17.230 -2.162 -12.070 1.00 0.00 O ATOM 179 NE2 GLN A 13 -19.229 -3.020 -11.515 1.00 0.00 N ATOM 0 H GLN A 13 -15.868 -0.578 -9.120 1.00 0.00 H new ATOM 0 HA GLN A 13 -17.482 -1.046 -6.898 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -18.926 -2.068 -8.461 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -18.038 -0.889 -9.405 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -16.421 -2.999 -9.808 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -17.900 -3.877 -9.472 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -19.816 -3.436 -10.792 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -19.602 -2.874 -12.453 1.00 0.00 H new ATOM 188 N ALA A 14 -17.339 -3.439 -6.128 1.00 0.00 N ATOM 189 CA ALA A 14 -17.052 -4.707 -5.472 1.00 0.00 C ATOM 190 C ALA A 14 -16.817 -5.818 -6.491 1.00 0.00 C ATOM 191 O ALA A 14 -17.485 -5.880 -7.523 1.00 0.00 O ATOM 192 CB ALA A 14 -18.188 -5.082 -4.532 1.00 0.00 C ATOM 0 H ALA A 14 -18.181 -2.973 -5.790 1.00 0.00 H new ATOM 0 HA ALA A 14 -16.137 -4.587 -4.892 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -17.961 -6.032 -4.048 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -18.304 -4.307 -3.774 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -19.114 -5.176 -5.100 1.00 0.00 H new ATOM 198 N GLY A 15 -15.861 -6.691 -6.195 1.00 0.00 N ATOM 199 CA GLY A 15 -15.552 -7.786 -7.095 1.00 0.00 C ATOM 200 C GLY A 15 -14.576 -7.390 -8.188 1.00 0.00 C ATOM 201 O GLY A 15 -14.147 -8.230 -8.978 1.00 0.00 O ATOM 0 H GLY A 15 -15.294 -6.660 -5.348 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -15.133 -8.614 -6.523 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -16.474 -8.147 -7.551 1.00 0.00 H new ATOM 205 N GLY A 16 -14.221 -6.108 -8.234 1.00 0.00 N ATOM 206 CA GLY A 16 -13.292 -5.632 -9.241 1.00 0.00 C ATOM 207 C GLY A 16 -11.916 -5.355 -8.669 1.00 0.00 C ATOM 208 O GLY A 16 -11.765 -4.525 -7.773 1.00 0.00 O ATOM 0 H GLY A 16 -14.561 -5.392 -7.592 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.210 -6.373 -10.036 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -13.685 -4.722 -9.693 1.00 0.00 H new ATOM 212 N SER A 17 -10.911 -6.055 -9.184 1.00 0.00 N ATOM 213 CA SER A 17 -9.545 -5.885 -8.717 1.00 0.00 C ATOM 214 C SER A 17 -8.983 -4.530 -9.135 1.00 0.00 C ATOM 215 O SER A 17 -9.117 -4.118 -10.287 1.00 0.00 O ATOM 216 CB SER A 17 -8.662 -7.008 -9.260 1.00 0.00 C ATOM 217 OG SER A 17 -8.168 -6.695 -10.551 1.00 0.00 O ATOM 0 H SER A 17 -11.020 -6.746 -9.926 1.00 0.00 H new ATOM 0 HA SER A 17 -9.552 -5.927 -7.628 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.827 -7.178 -8.580 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.233 -7.935 -9.302 1.00 0.00 H new ATOM 0 HG SER A 17 -7.605 -7.430 -10.873 1.00 0.00 H new ATOM 223 N LEU A 18 -8.350 -3.847 -8.189 1.00 0.00 N ATOM 224 CA LEU A 18 -7.759 -2.542 -8.449 1.00 0.00 C ATOM 225 C LEU A 18 -6.253 -2.583 -8.212 1.00 0.00 C ATOM 226 O LEU A 18 -5.791 -3.092 -7.192 1.00 0.00 O ATOM 227 CB LEU A 18 -8.405 -1.482 -7.557 1.00 0.00 C ATOM 228 CG LEU A 18 -7.873 -0.066 -7.759 1.00 0.00 C ATOM 229 CD1 LEU A 18 -8.666 0.653 -8.839 1.00 0.00 C ATOM 230 CD2 LEU A 18 -7.920 0.712 -6.453 1.00 0.00 C ATOM 0 H LEU A 18 -8.233 -4.178 -7.231 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.940 -2.281 -9.492 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.480 -1.481 -7.738 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.258 -1.765 -6.515 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.834 -0.131 -8.083 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.272 1.661 -8.969 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.581 0.106 -9.778 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.714 0.708 -8.545 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.537 1.719 -6.616 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.950 0.768 -6.100 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.307 0.207 -5.706 1.00 0.00 H new ATOM 242 N ARG A 19 -5.490 -2.054 -9.162 1.00 0.00 N ATOM 243 CA ARG A 19 -4.035 -2.046 -9.053 1.00 0.00 C ATOM 244 C ARG A 19 -3.508 -0.655 -8.711 1.00 0.00 C ATOM 245 O ARG A 19 -3.726 0.303 -9.453 1.00 0.00 O ATOM 246 CB ARG A 19 -3.405 -2.535 -10.358 1.00 0.00 C ATOM 247 CG ARG A 19 -1.884 -2.539 -10.339 1.00 0.00 C ATOM 248 CD ARG A 19 -1.319 -1.227 -10.859 1.00 0.00 C ATOM 249 NE ARG A 19 -0.899 -1.326 -12.256 1.00 0.00 N ATOM 250 CZ ARG A 19 0.259 -1.854 -12.646 1.00 0.00 C ATOM 251 NH1 ARG A 19 1.114 -2.334 -11.751 1.00 0.00 N ATOM 252 NH2 ARG A 19 0.564 -1.903 -13.936 1.00 0.00 N ATOM 0 H ARG A 19 -5.853 -1.626 -10.014 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.759 -2.721 -8.243 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.760 -3.544 -10.566 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.748 -1.902 -11.176 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.532 -2.711 -9.322 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.513 -3.363 -10.948 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.071 -0.444 -10.761 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.469 -0.930 -10.245 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.530 -0.970 -12.974 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.885 -2.300 -10.758 1.00 0.00 H new ATOM 0 HH12 ARG A 19 2.000 -2.737 -12.057 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.089 -1.536 -14.629 1.00 0.00 H new ATOM 0 HH22 ARG A 19 1.451 -2.307 -14.235 1.00 0.00 H new ATOM 266 N LEU A 20 -2.803 -0.558 -7.588 1.00 0.00 N ATOM 267 CA LEU A 20 -2.230 0.706 -7.149 1.00 0.00 C ATOM 268 C LEU A 20 -0.714 0.680 -7.292 1.00 0.00 C ATOM 269 O LEU A 20 -0.067 -0.320 -6.979 1.00 0.00 O ATOM 270 CB LEU A 20 -2.617 0.993 -5.699 1.00 0.00 C ATOM 271 CG LEU A 20 -4.083 0.726 -5.358 1.00 0.00 C ATOM 272 CD1 LEU A 20 -4.385 1.153 -3.930 1.00 0.00 C ATOM 273 CD2 LEU A 20 -4.995 1.447 -6.339 1.00 0.00 C ATOM 0 H LEU A 20 -2.615 -1.343 -6.965 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.627 1.501 -7.780 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.991 0.387 -5.045 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.392 2.036 -5.478 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.268 -0.345 -5.440 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.433 0.955 -3.705 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.754 0.591 -3.241 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.185 2.219 -3.819 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.035 1.247 -6.083 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.809 2.520 -6.288 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.795 1.092 -7.350 1.00 0.00 H new ATOM 285 N SER A 21 -0.158 1.782 -7.774 1.00 0.00 N ATOM 286 CA SER A 21 1.281 1.892 -7.974 1.00 0.00 C ATOM 287 C SER A 21 1.866 3.033 -7.149 1.00 0.00 C ATOM 288 O SER A 21 1.586 4.204 -7.404 1.00 0.00 O ATOM 289 CB SER A 21 1.589 2.112 -9.454 1.00 0.00 C ATOM 290 OG SER A 21 0.944 3.276 -9.942 1.00 0.00 O ATOM 0 H SER A 21 -0.684 2.616 -8.035 1.00 0.00 H new ATOM 0 HA SER A 21 1.740 0.960 -7.643 1.00 0.00 H new ATOM 0 HB2 SER A 21 2.666 2.203 -9.595 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.265 1.245 -10.029 1.00 0.00 H new ATOM 0 HG SER A 21 -0.022 3.199 -9.798 1.00 0.00 H new ATOM 296 N CYS A 22 2.686 2.681 -6.166 1.00 0.00 N ATOM 297 CA CYS A 22 3.320 3.672 -5.308 1.00 0.00 C ATOM 298 C CYS A 22 4.819 3.723 -5.575 1.00 0.00 C ATOM 299 O CYS A 22 5.481 2.688 -5.663 1.00 0.00 O ATOM 300 CB CYS A 22 3.052 3.351 -3.836 1.00 0.00 C ATOM 301 SG CYS A 22 4.008 4.361 -2.656 1.00 0.00 S ATOM 0 H CYS A 22 2.927 1.715 -5.944 1.00 0.00 H new ATOM 0 HA CYS A 22 2.894 4.650 -5.533 1.00 0.00 H new ATOM 0 HB2 CYS A 22 1.990 3.488 -3.635 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.277 2.299 -3.660 1.00 0.00 H new ATOM 306 N ALA A 23 5.348 4.932 -5.704 1.00 0.00 N ATOM 307 CA ALA A 23 6.770 5.119 -5.965 1.00 0.00 C ATOM 308 C ALA A 23 7.484 5.690 -4.745 1.00 0.00 C ATOM 309 O ALA A 23 6.907 6.464 -3.982 1.00 0.00 O ATOM 310 CB ALA A 23 6.970 6.023 -7.171 1.00 0.00 C ATOM 0 H ALA A 23 4.815 5.798 -5.632 1.00 0.00 H new ATOM 0 HA ALA A 23 7.206 4.143 -6.181 1.00 0.00 H new ATOM 0 HB1 ALA A 23 8.036 6.154 -7.355 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.504 5.570 -8.046 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.513 6.994 -6.978 1.00 0.00 H new ATOM 316 N ALA A 24 8.743 5.301 -4.569 1.00 0.00 N ATOM 317 CA ALA A 24 9.539 5.772 -3.443 1.00 0.00 C ATOM 318 C ALA A 24 11.019 5.827 -3.803 1.00 0.00 C ATOM 319 O ALA A 24 11.792 4.942 -3.436 1.00 0.00 O ATOM 320 CB ALA A 24 9.322 4.875 -2.233 1.00 0.00 C ATOM 0 H ALA A 24 9.233 4.660 -5.193 1.00 0.00 H new ATOM 0 HA ALA A 24 9.214 6.783 -3.196 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.922 5.238 -1.399 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.268 4.888 -1.955 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.620 3.855 -2.478 1.00 0.00 H new ATOM 326 N SER A 25 11.409 6.874 -4.524 1.00 0.00 N ATOM 327 CA SER A 25 12.798 7.045 -4.934 1.00 0.00 C ATOM 328 C SER A 25 13.527 8.004 -3.999 1.00 0.00 C ATOM 329 O SER A 25 12.901 8.749 -3.245 1.00 0.00 O ATOM 330 CB SER A 25 12.867 7.565 -6.371 1.00 0.00 C ATOM 331 OG SER A 25 12.968 6.497 -7.297 1.00 0.00 O ATOM 0 H SER A 25 10.783 7.616 -4.836 1.00 0.00 H new ATOM 0 HA SER A 25 13.288 6.073 -4.883 1.00 0.00 H new ATOM 0 HB2 SER A 25 11.978 8.157 -6.590 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.726 8.227 -6.480 1.00 0.00 H new ATOM 0 HG SER A 25 13.009 6.856 -8.208 1.00 0.00 H new ATOM 337 N GLY A 26 14.855 7.980 -4.054 1.00 0.00 N ATOM 338 CA GLY A 26 15.648 8.853 -3.208 1.00 0.00 C ATOM 339 C GLY A 26 16.845 8.146 -2.605 1.00 0.00 C ATOM 340 O GLY A 26 17.403 7.229 -3.208 1.00 0.00 O ATOM 0 H GLY A 26 15.396 7.372 -4.669 1.00 0.00 H new ATOM 0 HA2 GLY A 26 15.991 9.707 -3.793 1.00 0.00 H new ATOM 0 HA3 GLY A 26 15.021 9.246 -2.408 1.00 0.00 H new ATOM 344 N ARG A 27 17.242 8.573 -1.410 1.00 0.00 N ATOM 345 CA ARG A 27 18.381 7.976 -0.723 1.00 0.00 C ATOM 346 C ARG A 27 17.928 7.210 0.515 1.00 0.00 C ATOM 347 O ARG A 27 17.579 7.807 1.534 1.00 0.00 O ATOM 348 CB ARG A 27 19.389 9.059 -0.328 1.00 0.00 C ATOM 349 CG ARG A 27 20.596 8.524 0.427 1.00 0.00 C ATOM 350 CD ARG A 27 21.902 9.033 -0.165 1.00 0.00 C ATOM 351 NE ARG A 27 22.801 9.557 0.861 1.00 0.00 N ATOM 352 CZ ARG A 27 22.683 10.766 1.403 1.00 0.00 C ATOM 353 NH1 ARG A 27 21.705 11.579 1.024 1.00 0.00 N ATOM 354 NH2 ARG A 27 23.545 11.164 2.329 1.00 0.00 N ATOM 0 H ARG A 27 16.791 9.331 -0.898 1.00 0.00 H new ATOM 0 HA ARG A 27 18.860 7.275 -1.406 1.00 0.00 H new ATOM 0 HB2 ARG A 27 19.732 9.570 -1.228 1.00 0.00 H new ATOM 0 HB3 ARG A 27 18.886 9.803 0.289 1.00 0.00 H new ATOM 0 HG2 ARG A 27 20.531 8.821 1.474 1.00 0.00 H new ATOM 0 HG3 ARG A 27 20.586 7.434 0.403 1.00 0.00 H new ATOM 0 HD2 ARG A 27 22.397 8.223 -0.701 1.00 0.00 H new ATOM 0 HD3 ARG A 27 21.689 9.815 -0.894 1.00 0.00 H new ATOM 0 HE ARG A 27 23.564 8.960 1.180 1.00 0.00 H new ATOM 0 HH11 ARG A 27 21.038 11.278 0.313 1.00 0.00 H new ATOM 0 HH12 ARG A 27 21.620 12.505 1.444 1.00 0.00 H new ATOM 0 HH21 ARG A 27 24.298 10.543 2.625 1.00 0.00 H new ATOM 0 HH22 ARG A 27 23.455 12.091 2.745 1.00 0.00 H new ATOM 368 N THR A 28 17.935 5.884 0.420 1.00 0.00 N ATOM 369 CA THR A 28 17.524 5.037 1.534 1.00 0.00 C ATOM 370 C THR A 28 18.226 3.684 1.475 1.00 0.00 C ATOM 371 O THR A 28 18.131 2.966 0.479 1.00 0.00 O ATOM 372 CB THR A 28 16.006 4.837 1.522 1.00 0.00 C ATOM 373 OG1 THR A 28 15.639 3.829 0.596 1.00 0.00 O ATOM 374 CG2 THR A 28 15.234 6.090 1.164 1.00 0.00 C ATOM 0 H THR A 28 18.220 5.374 -0.416 1.00 0.00 H new ATOM 0 HA THR A 28 17.809 5.536 2.460 1.00 0.00 H new ATOM 0 HB THR A 28 15.748 4.552 2.542 1.00 0.00 H new ATOM 0 HG1 THR A 28 16.429 3.545 0.091 1.00 0.00 H new ATOM 0 HG21 THR A 28 14.166 5.875 1.175 1.00 0.00 H new ATOM 0 HG22 THR A 28 15.454 6.873 1.890 1.00 0.00 H new ATOM 0 HG23 THR A 28 15.526 6.426 0.169 1.00 0.00 H new ATOM 382 N GLY A 29 18.932 3.342 2.549 1.00 0.00 N ATOM 383 CA GLY A 29 19.640 2.080 2.600 1.00 0.00 C ATOM 384 C GLY A 29 19.671 1.485 3.994 1.00 0.00 C ATOM 385 O GLY A 29 20.661 0.871 4.392 1.00 0.00 O ATOM 0 H GLY A 29 19.025 3.919 3.385 1.00 0.00 H new ATOM 0 HA2 GLY A 29 19.166 1.374 1.918 1.00 0.00 H new ATOM 0 HA3 GLY A 29 20.661 2.226 2.249 1.00 0.00 H new ATOM 389 N SER A 30 18.586 1.670 4.737 1.00 0.00 N ATOM 390 CA SER A 30 18.491 1.148 6.097 1.00 0.00 C ATOM 391 C SER A 30 17.347 0.146 6.219 1.00 0.00 C ATOM 392 O SER A 30 17.573 -1.058 6.339 1.00 0.00 O ATOM 393 CB SER A 30 18.290 2.293 7.091 1.00 0.00 C ATOM 394 OG SER A 30 18.972 2.039 8.307 1.00 0.00 O ATOM 0 H SER A 30 17.759 2.177 4.422 1.00 0.00 H new ATOM 0 HA SER A 30 19.424 0.634 6.328 1.00 0.00 H new ATOM 0 HB2 SER A 30 18.652 3.224 6.655 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.226 2.425 7.288 1.00 0.00 H new ATOM 0 HG SER A 30 18.829 2.786 8.925 1.00 0.00 H new ATOM 400 N THR A 31 16.118 0.652 6.186 1.00 0.00 N ATOM 401 CA THR A 31 14.936 -0.195 6.292 1.00 0.00 C ATOM 402 C THR A 31 13.724 0.494 5.677 1.00 0.00 C ATOM 403 O THR A 31 12.606 0.375 6.179 1.00 0.00 O ATOM 404 CB THR A 31 14.653 -0.539 7.755 1.00 0.00 C ATOM 405 OG1 THR A 31 14.192 0.600 8.457 1.00 0.00 O ATOM 406 CG2 THR A 31 15.861 -1.076 8.492 1.00 0.00 C ATOM 0 H THR A 31 15.915 1.647 6.086 1.00 0.00 H new ATOM 0 HA THR A 31 15.130 -1.117 5.744 1.00 0.00 H new ATOM 0 HB THR A 31 13.893 -1.320 7.725 1.00 0.00 H new ATOM 0 HG1 THR A 31 13.296 0.424 8.813 1.00 0.00 H new ATOM 0 HG21 THR A 31 15.588 -1.299 9.524 1.00 0.00 H new ATOM 0 HG22 THR A 31 16.210 -1.986 8.004 1.00 0.00 H new ATOM 0 HG23 THR A 31 16.656 -0.330 8.480 1.00 0.00 H new ATOM 414 N TYR A 32 13.958 1.220 4.589 1.00 0.00 N ATOM 415 CA TYR A 32 12.892 1.938 3.900 1.00 0.00 C ATOM 416 C TYR A 32 11.934 0.970 3.212 1.00 0.00 C ATOM 417 O TYR A 32 11.827 0.948 1.986 1.00 0.00 O ATOM 418 CB TYR A 32 13.486 2.902 2.873 1.00 0.00 C ATOM 419 CG TYR A 32 12.719 4.199 2.739 1.00 0.00 C ATOM 420 CD1 TYR A 32 11.655 4.309 1.853 1.00 0.00 C ATOM 421 CD2 TYR A 32 13.060 5.312 3.497 1.00 0.00 C ATOM 422 CE1 TYR A 32 10.952 5.492 1.726 1.00 0.00 C ATOM 423 CE2 TYR A 32 12.362 6.498 3.376 1.00 0.00 C ATOM 424 CZ TYR A 32 11.309 6.583 2.490 1.00 0.00 C ATOM 425 OH TYR A 32 10.612 7.763 2.366 1.00 0.00 O ATOM 0 H TYR A 32 14.879 1.327 4.164 1.00 0.00 H new ATOM 0 HA TYR A 32 12.330 2.505 4.643 1.00 0.00 H new ATOM 0 HB2 TYR A 32 14.515 3.127 3.152 1.00 0.00 H new ATOM 0 HB3 TYR A 32 13.519 2.408 1.902 1.00 0.00 H new ATOM 0 HD1 TYR A 32 11.372 3.456 1.254 1.00 0.00 H new ATOM 0 HD2 TYR A 32 13.884 5.249 4.192 1.00 0.00 H new ATOM 0 HE1 TYR A 32 10.127 5.562 1.032 1.00 0.00 H new ATOM 0 HE2 TYR A 32 12.640 7.354 3.972 1.00 0.00 H new ATOM 0 HH TYR A 32 9.917 7.807 3.056 1.00 0.00 H new ATOM 435 N ASP A 33 11.232 0.175 4.013 1.00 0.00 N ATOM 436 CA ASP A 33 10.277 -0.791 3.487 1.00 0.00 C ATOM 437 C ASP A 33 9.201 -0.089 2.666 1.00 0.00 C ATOM 438 O ASP A 33 9.198 1.137 2.552 1.00 0.00 O ATOM 439 CB ASP A 33 9.633 -1.573 4.633 1.00 0.00 C ATOM 440 CG ASP A 33 10.643 -2.391 5.415 1.00 0.00 C ATOM 441 OD1 ASP A 33 11.850 -2.077 5.335 1.00 0.00 O ATOM 442 OD2 ASP A 33 10.228 -3.344 6.107 1.00 0.00 O ATOM 0 H ASP A 33 11.307 0.182 5.030 1.00 0.00 H new ATOM 0 HA ASP A 33 10.811 -1.485 2.839 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.133 -0.878 5.307 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.866 -2.235 4.231 1.00 0.00 H new ATOM 447 N MET A 34 8.288 -0.867 2.095 1.00 0.00 N ATOM 448 CA MET A 34 7.213 -0.304 1.287 1.00 0.00 C ATOM 449 C MET A 34 5.907 -1.056 1.514 1.00 0.00 C ATOM 450 O MET A 34 5.812 -2.252 1.241 1.00 0.00 O ATOM 451 CB MET A 34 7.589 -0.338 -0.197 1.00 0.00 C ATOM 452 CG MET A 34 7.946 1.027 -0.764 1.00 0.00 C ATOM 453 SD MET A 34 9.571 1.056 -1.548 1.00 0.00 S ATOM 454 CE MET A 34 9.139 1.588 -3.203 1.00 0.00 C ATOM 0 H MET A 34 8.271 -1.884 2.176 1.00 0.00 H new ATOM 0 HA MET A 34 7.068 0.732 1.593 1.00 0.00 H new ATOM 0 HB2 MET A 34 8.435 -1.012 -0.334 1.00 0.00 H new ATOM 0 HB3 MET A 34 6.756 -0.752 -0.765 1.00 0.00 H new ATOM 0 HG2 MET A 34 7.191 1.321 -1.493 1.00 0.00 H new ATOM 0 HG3 MET A 34 7.921 1.766 0.037 1.00 0.00 H new ATOM 0 HE1 MET A 34 9.226 0.746 -3.890 1.00 0.00 H new ATOM 0 HE2 MET A 34 8.114 1.958 -3.210 1.00 0.00 H new ATOM 0 HE3 MET A 34 9.814 2.384 -3.517 1.00 0.00 H new ATOM 464 N GLY A 35 4.900 -0.346 2.014 1.00 0.00 N ATOM 465 CA GLY A 35 3.614 -0.966 2.268 1.00 0.00 C ATOM 466 C GLY A 35 2.468 0.024 2.235 1.00 0.00 C ATOM 467 O GLY A 35 2.646 1.201 2.549 1.00 0.00 O ATOM 0 H GLY A 35 4.952 0.646 2.247 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.438 -1.744 1.525 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.638 -1.455 3.242 1.00 0.00 H new ATOM 471 N TRP A 36 1.288 -0.455 1.853 1.00 0.00 N ATOM 472 CA TRP A 36 0.110 0.389 1.779 1.00 0.00 C ATOM 473 C TRP A 36 -0.629 0.418 3.107 1.00 0.00 C ATOM 474 O TRP A 36 -0.558 -0.525 3.899 1.00 0.00 O ATOM 475 CB TRP A 36 -0.818 -0.107 0.683 1.00 0.00 C ATOM 476 CG TRP A 36 -0.244 0.015 -0.697 1.00 0.00 C ATOM 477 CD1 TRP A 36 0.643 -0.835 -1.293 1.00 0.00 C ATOM 478 CD2 TRP A 36 -0.518 1.046 -1.653 1.00 0.00 C ATOM 479 NE1 TRP A 36 0.936 -0.397 -2.562 1.00 0.00 N ATOM 480 CE2 TRP A 36 0.237 0.756 -2.807 1.00 0.00 C ATOM 481 CE3 TRP A 36 -1.328 2.186 -1.647 1.00 0.00 C ATOM 482 CZ2 TRP A 36 0.204 1.563 -3.942 1.00 0.00 C ATOM 483 CZ3 TRP A 36 -1.359 2.986 -2.774 1.00 0.00 C ATOM 484 CH2 TRP A 36 -0.598 2.671 -3.908 1.00 0.00 C ATOM 0 H TRP A 36 1.127 -1.427 1.590 1.00 0.00 H new ATOM 0 HA TRP A 36 0.435 1.403 1.547 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -1.064 -1.152 0.873 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.752 0.454 0.729 1.00 0.00 H new ATOM 0 HD1 TRP A 36 1.054 -1.722 -0.834 1.00 0.00 H new ATOM 0 HE1 TRP A 36 1.571 -0.856 -3.216 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.918 2.437 -0.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 0.790 1.323 -4.817 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.981 3.869 -2.781 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.646 3.316 -4.773 1.00 0.00 H new ATOM 495 N PHE A 37 -1.332 1.515 3.346 1.00 0.00 N ATOM 496 CA PHE A 37 -2.079 1.693 4.573 1.00 0.00 C ATOM 497 C PHE A 37 -3.498 2.172 4.277 1.00 0.00 C ATOM 498 O PHE A 37 -3.885 2.316 3.118 1.00 0.00 O ATOM 499 CB PHE A 37 -1.363 2.712 5.455 1.00 0.00 C ATOM 500 CG PHE A 37 -0.347 2.107 6.380 1.00 0.00 C ATOM 501 CD1 PHE A 37 0.757 1.438 5.877 1.00 0.00 C ATOM 502 CD2 PHE A 37 -0.496 2.207 7.755 1.00 0.00 C ATOM 503 CE1 PHE A 37 1.693 0.879 6.727 1.00 0.00 C ATOM 504 CE2 PHE A 37 0.436 1.651 8.609 1.00 0.00 C ATOM 505 CZ PHE A 37 1.531 0.984 8.094 1.00 0.00 C ATOM 0 H PHE A 37 -1.398 2.299 2.697 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.141 0.735 5.090 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.869 3.446 4.818 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.104 3.250 6.046 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.888 1.352 4.808 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.351 2.726 8.163 1.00 0.00 H new ATOM 0 HE1 PHE A 37 2.550 0.361 6.322 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.309 1.737 9.678 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.259 0.545 8.760 1.00 0.00 H new ATOM 515 N ARG A 38 -4.263 2.424 5.333 1.00 0.00 N ATOM 516 CA ARG A 38 -5.635 2.897 5.192 1.00 0.00 C ATOM 517 C ARG A 38 -6.038 3.749 6.391 1.00 0.00 C ATOM 518 O ARG A 38 -5.407 3.687 7.447 1.00 0.00 O ATOM 519 CB ARG A 38 -6.612 1.730 5.036 1.00 0.00 C ATOM 520 CG ARG A 38 -5.952 0.372 4.841 1.00 0.00 C ATOM 521 CD ARG A 38 -6.915 -0.772 5.136 1.00 0.00 C ATOM 522 NE ARG A 38 -8.300 -0.433 4.809 1.00 0.00 N ATOM 523 CZ ARG A 38 -9.358 -1.040 5.342 1.00 0.00 C ATOM 524 NH1 ARG A 38 -9.198 -2.024 6.219 1.00 0.00 N ATOM 525 NH2 ARG A 38 -10.582 -0.664 4.995 1.00 0.00 N ATOM 0 H ARG A 38 -3.955 2.308 6.299 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.679 3.507 4.290 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.249 1.686 5.919 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.262 1.929 4.184 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.590 0.287 3.816 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.083 0.293 5.494 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -6.615 -1.652 4.567 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -6.848 -1.037 6.191 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.465 0.313 4.133 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.260 -2.319 6.488 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.013 -2.484 6.623 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.712 0.090 4.320 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -11.393 -1.129 5.403 1.00 0.00 H new ATOM 539 N GLN A 39 -7.094 4.544 6.227 1.00 0.00 N ATOM 540 CA GLN A 39 -7.572 5.401 7.306 1.00 0.00 C ATOM 541 C GLN A 39 -8.988 5.897 7.033 1.00 0.00 C ATOM 542 O GLN A 39 -9.443 5.917 5.890 1.00 0.00 O ATOM 543 CB GLN A 39 -6.630 6.591 7.496 1.00 0.00 C ATOM 544 CG GLN A 39 -6.616 7.134 8.916 1.00 0.00 C ATOM 545 CD GLN A 39 -5.216 7.240 9.489 1.00 0.00 C ATOM 546 OE1 GLN A 39 -4.227 7.172 8.758 1.00 0.00 O ATOM 547 NE2 GLN A 39 -5.125 7.408 10.803 1.00 0.00 N ATOM 0 H GLN A 39 -7.631 4.611 5.362 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.589 4.808 8.220 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.619 6.291 7.220 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.923 7.389 6.814 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -7.085 8.118 8.929 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -7.217 6.486 9.554 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.971 7.459 11.370 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -4.209 7.486 11.245 1.00 0.00 H new ATOM 556 N ALA A 40 -9.677 6.300 8.096 1.00 0.00 N ATOM 557 CA ALA A 40 -11.041 6.802 7.984 1.00 0.00 C ATOM 558 C ALA A 40 -11.316 7.858 9.051 1.00 0.00 C ATOM 559 O ALA A 40 -10.597 7.943 10.047 1.00 0.00 O ATOM 560 CB ALA A 40 -12.037 5.658 8.101 1.00 0.00 C ATOM 0 H ALA A 40 -9.311 6.288 9.048 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.157 7.266 7.005 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.051 6.048 8.016 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.858 4.936 7.304 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -11.917 5.168 9.067 1.00 0.00 H new ATOM 566 N PRO A 41 -12.359 8.682 8.859 1.00 0.00 N ATOM 567 CA PRO A 41 -12.712 9.733 9.817 1.00 0.00 C ATOM 568 C PRO A 41 -13.171 9.169 11.149 1.00 0.00 C ATOM 569 O PRO A 41 -13.915 8.189 11.202 1.00 0.00 O ATOM 570 CB PRO A 41 -13.847 10.493 9.125 1.00 0.00 C ATOM 571 CG PRO A 41 -14.418 9.522 8.149 1.00 0.00 C ATOM 572 CD PRO A 41 -13.270 8.659 7.702 1.00 0.00 C ATOM 0 HA PRO A 41 -11.857 10.364 10.060 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -14.599 10.820 9.843 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -13.476 11.386 8.623 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -15.202 8.921 8.610 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -14.870 10.040 7.303 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -13.596 7.646 7.467 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -12.793 9.056 6.806 1.00 0.00 H new ATOM 580 N GLY A 42 -12.696 9.782 12.228 1.00 0.00 N ATOM 581 CA GLY A 42 -13.041 9.314 13.553 1.00 0.00 C ATOM 582 C GLY A 42 -12.387 7.981 13.863 1.00 0.00 C ATOM 583 O GLY A 42 -12.619 7.399 14.923 1.00 0.00 O ATOM 0 H GLY A 42 -12.079 10.594 12.206 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.731 10.053 14.292 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -14.124 9.216 13.634 1.00 0.00 H new ATOM 587 N LYS A 43 -11.571 7.491 12.928 1.00 0.00 N ATOM 588 CA LYS A 43 -10.890 6.220 13.095 1.00 0.00 C ATOM 589 C LYS A 43 -9.385 6.422 13.261 1.00 0.00 C ATOM 590 O LYS A 43 -8.906 7.553 13.337 1.00 0.00 O ATOM 591 CB LYS A 43 -11.167 5.344 11.879 1.00 0.00 C ATOM 592 CG LYS A 43 -11.222 3.856 12.190 1.00 0.00 C ATOM 593 CD LYS A 43 -12.624 3.297 12.006 1.00 0.00 C ATOM 594 CE LYS A 43 -12.591 1.882 11.451 1.00 0.00 C ATOM 595 NZ LYS A 43 -12.338 0.873 12.517 1.00 0.00 N ATOM 0 H LYS A 43 -11.370 7.963 12.046 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.265 5.735 13.996 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -12.114 5.647 11.433 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -10.393 5.521 11.132 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.529 3.322 11.540 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -10.893 3.686 13.215 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.147 3.302 12.962 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.188 3.941 11.331 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.539 1.662 10.961 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -11.814 1.809 10.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.323 -0.079 12.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.421 1.067 12.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -13.093 0.925 13.231 1.00 0.00 H new ATOM 609 N GLU A 44 -8.646 5.318 13.313 1.00 0.00 N ATOM 610 CA GLU A 44 -7.198 5.370 13.464 1.00 0.00 C ATOM 611 C GLU A 44 -6.505 4.904 12.188 1.00 0.00 C ATOM 612 O GLU A 44 -7.149 4.706 11.158 1.00 0.00 O ATOM 613 CB GLU A 44 -6.755 4.508 14.648 1.00 0.00 C ATOM 614 CG GLU A 44 -7.061 3.030 14.475 1.00 0.00 C ATOM 615 CD GLU A 44 -7.357 2.338 15.792 1.00 0.00 C ATOM 616 OE1 GLU A 44 -7.755 3.033 16.751 1.00 0.00 O ATOM 617 OE2 GLU A 44 -7.191 1.102 15.864 1.00 0.00 O ATOM 0 H GLU A 44 -9.029 4.374 13.252 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.912 6.404 13.654 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.682 4.633 14.796 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.246 4.868 15.552 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.916 2.915 13.808 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.214 2.541 13.994 1.00 0.00 H new ATOM 624 N ARG A 45 -5.189 4.733 12.261 1.00 0.00 N ATOM 625 CA ARG A 45 -4.413 4.292 11.107 1.00 0.00 C ATOM 626 C ARG A 45 -4.306 2.768 11.067 1.00 0.00 C ATOM 627 O ARG A 45 -3.981 2.132 12.069 1.00 0.00 O ATOM 628 CB ARG A 45 -3.015 4.926 11.131 1.00 0.00 C ATOM 629 CG ARG A 45 -1.972 4.107 11.881 1.00 0.00 C ATOM 630 CD ARG A 45 -0.805 4.966 12.341 1.00 0.00 C ATOM 631 NE ARG A 45 -0.391 5.927 11.320 1.00 0.00 N ATOM 632 CZ ARG A 45 0.316 7.025 11.579 1.00 0.00 C ATOM 633 NH1 ARG A 45 0.694 7.304 12.821 1.00 0.00 N ATOM 634 NH2 ARG A 45 0.646 7.847 10.591 1.00 0.00 N ATOM 0 H ARG A 45 -4.639 4.893 13.105 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.931 4.618 10.205 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.677 5.073 10.105 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.083 5.913 11.588 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.436 3.631 12.745 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -1.604 3.309 11.236 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -1.085 5.501 13.249 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.038 4.324 12.597 1.00 0.00 H new ATOM 0 HE ARG A 45 -0.659 5.746 10.353 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.443 6.675 13.584 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.236 8.147 13.012 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.358 7.637 9.635 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.188 8.689 10.787 1.00 0.00 H new ATOM 648 N GLU A 46 -4.580 2.192 9.902 1.00 0.00 N ATOM 649 CA GLU A 46 -4.512 0.747 9.728 1.00 0.00 C ATOM 650 C GLU A 46 -3.747 0.395 8.456 1.00 0.00 C ATOM 651 O GLU A 46 -4.034 0.926 7.385 1.00 0.00 O ATOM 652 CB GLU A 46 -5.921 0.157 9.670 1.00 0.00 C ATOM 653 CG GLU A 46 -6.746 0.672 8.503 1.00 0.00 C ATOM 654 CD GLU A 46 -8.212 0.303 8.615 1.00 0.00 C ATOM 655 OE1 GLU A 46 -8.534 -0.897 8.480 1.00 0.00 O ATOM 656 OE2 GLU A 46 -9.038 1.213 8.837 1.00 0.00 O ATOM 0 H GLU A 46 -4.852 2.705 9.063 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.983 0.322 10.581 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.849 -0.929 9.603 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.441 0.385 10.601 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.652 1.756 8.447 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.344 0.269 7.573 1.00 0.00 H new ATOM 663 N SER A 47 -2.772 -0.500 8.577 1.00 0.00 N ATOM 664 CA SER A 47 -1.974 -0.910 7.436 1.00 0.00 C ATOM 665 C SER A 47 -2.656 -2.033 6.674 1.00 0.00 C ATOM 666 O SER A 47 -3.657 -2.593 7.121 1.00 0.00 O ATOM 667 CB SER A 47 -0.584 -1.361 7.887 1.00 0.00 C ATOM 668 OG SER A 47 0.303 -1.485 6.787 1.00 0.00 O ATOM 0 H SER A 47 -2.518 -0.953 9.455 1.00 0.00 H new ATOM 0 HA SER A 47 -1.871 -0.050 6.774 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.181 -0.643 8.602 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.660 -2.317 8.404 1.00 0.00 H new ATOM 0 HG SER A 47 0.418 -0.611 6.360 1.00 0.00 H new ATOM 674 N VAL A 48 -2.098 -2.352 5.521 1.00 0.00 N ATOM 675 CA VAL A 48 -2.635 -3.411 4.674 1.00 0.00 C ATOM 676 C VAL A 48 -1.561 -4.426 4.305 1.00 0.00 C ATOM 677 O VAL A 48 -1.603 -5.576 4.744 1.00 0.00 O ATOM 678 CB VAL A 48 -3.251 -2.851 3.382 1.00 0.00 C ATOM 679 CG1 VAL A 48 -4.099 -3.909 2.693 1.00 0.00 C ATOM 680 CG2 VAL A 48 -4.071 -1.602 3.670 1.00 0.00 C ATOM 0 H VAL A 48 -1.269 -1.893 5.145 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.415 -3.903 5.256 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.440 -2.572 2.709 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.527 -3.495 1.780 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.477 -4.769 2.444 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.902 -4.223 3.360 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.497 -1.224 2.741 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.875 -1.847 4.364 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.430 -0.839 4.112 1.00 0.00 H new ATOM 690 N ALA A 49 -0.601 -3.998 3.493 1.00 0.00 N ATOM 691 CA ALA A 49 0.480 -4.875 3.064 1.00 0.00 C ATOM 692 C ALA A 49 1.797 -4.123 2.977 1.00 0.00 C ATOM 693 O ALA A 49 1.878 -3.063 2.358 1.00 0.00 O ATOM 694 CB ALA A 49 0.144 -5.517 1.726 1.00 0.00 C ATOM 0 H ALA A 49 -0.550 -3.050 3.119 1.00 0.00 H new ATOM 0 HA ALA A 49 0.592 -5.661 3.811 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.962 -6.169 1.420 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.770 -6.103 1.823 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.001 -4.740 0.976 1.00 0.00 H new ATOM 700 N ALA A 50 2.827 -4.678 3.604 1.00 0.00 N ATOM 701 CA ALA A 50 4.143 -4.056 3.601 1.00 0.00 C ATOM 702 C ALA A 50 5.233 -5.065 3.266 1.00 0.00 C ATOM 703 O ALA A 50 5.169 -6.221 3.675 1.00 0.00 O ATOM 704 CB ALA A 50 4.415 -3.411 4.946 1.00 0.00 C ATOM 0 H ALA A 50 2.776 -5.556 4.120 1.00 0.00 H new ATOM 0 HA ALA A 50 4.153 -3.288 2.828 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.402 -2.948 4.935 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.660 -2.651 5.144 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.379 -4.170 5.727 1.00 0.00 H new ATOM 710 N ILE A 51 6.237 -4.616 2.523 1.00 0.00 N ATOM 711 CA ILE A 51 7.343 -5.480 2.135 1.00 0.00 C ATOM 712 C ILE A 51 8.672 -4.940 2.644 1.00 0.00 C ATOM 713 O ILE A 51 8.944 -3.741 2.565 1.00 0.00 O ATOM 714 CB ILE A 51 7.420 -5.647 0.605 1.00 0.00 C ATOM 715 CG1 ILE A 51 8.586 -6.564 0.222 1.00 0.00 C ATOM 716 CG2 ILE A 51 7.555 -4.291 -0.074 1.00 0.00 C ATOM 717 CD1 ILE A 51 8.259 -7.518 -0.906 1.00 0.00 C ATOM 0 H ILE A 51 6.307 -3.659 2.178 1.00 0.00 H new ATOM 0 HA ILE A 51 7.154 -6.453 2.589 1.00 0.00 H new ATOM 0 HB ILE A 51 6.495 -6.110 0.262 1.00 0.00 H new ATOM 0 HG12 ILE A 51 9.440 -5.951 -0.067 1.00 0.00 H new ATOM 0 HG13 ILE A 51 8.888 -7.139 1.097 1.00 0.00 H new ATOM 0 HG21 ILE A 51 7.608 -4.429 -1.154 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.691 -3.674 0.171 1.00 0.00 H new ATOM 0 HG23 ILE A 51 8.463 -3.799 0.274 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.130 -8.136 -1.124 1.00 0.00 H new ATOM 0 HD12 ILE A 51 7.425 -8.156 -0.613 1.00 0.00 H new ATOM 0 HD13 ILE A 51 7.986 -6.950 -1.795 1.00 0.00 H new ATOM 729 N ASN A 52 9.492 -5.841 3.168 1.00 0.00 N ATOM 730 CA ASN A 52 10.790 -5.486 3.697 1.00 0.00 C ATOM 731 C ASN A 52 11.789 -5.209 2.579 1.00 0.00 C ATOM 732 O ASN A 52 11.508 -5.453 1.405 1.00 0.00 O ATOM 733 CB ASN A 52 11.295 -6.617 4.584 1.00 0.00 C ATOM 734 CG ASN A 52 11.115 -7.988 3.958 1.00 0.00 C ATOM 735 OD1 ASN A 52 10.328 -8.802 4.440 1.00 0.00 O ATOM 736 ND2 ASN A 52 11.843 -8.251 2.879 1.00 0.00 N ATOM 0 H ASN A 52 9.271 -6.835 3.236 1.00 0.00 H new ATOM 0 HA ASN A 52 10.689 -4.572 4.283 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.352 -6.458 4.799 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.767 -6.587 5.537 1.00 0.00 H new ATOM 0 HD21 ASN A 52 11.761 -9.157 2.417 1.00 0.00 H new ATOM 0 HD22 ASN A 52 12.484 -7.547 2.512 1.00 0.00 H new ATOM 743 N TRP A 53 12.955 -4.697 2.954 1.00 0.00 N ATOM 744 CA TRP A 53 13.999 -4.383 1.994 1.00 0.00 C ATOM 745 C TRP A 53 15.255 -5.204 2.278 1.00 0.00 C ATOM 746 O TRP A 53 16.375 -4.739 2.062 1.00 0.00 O ATOM 747 CB TRP A 53 14.325 -2.894 2.061 1.00 0.00 C ATOM 748 CG TRP A 53 14.385 -2.226 0.721 1.00 0.00 C ATOM 749 CD1 TRP A 53 13.897 -0.992 0.398 1.00 0.00 C ATOM 750 CD2 TRP A 53 14.964 -2.753 -0.477 1.00 0.00 C ATOM 751 NE1 TRP A 53 14.137 -0.721 -0.927 1.00 0.00 N ATOM 752 CE2 TRP A 53 14.790 -1.787 -1.486 1.00 0.00 C ATOM 753 CE3 TRP A 53 15.611 -3.948 -0.793 1.00 0.00 C ATOM 754 CZ2 TRP A 53 15.242 -1.982 -2.789 1.00 0.00 C ATOM 755 CZ3 TRP A 53 16.060 -4.142 -2.086 1.00 0.00 C ATOM 756 CH2 TRP A 53 15.874 -3.163 -3.070 1.00 0.00 C ATOM 0 H TRP A 53 13.199 -4.490 3.923 1.00 0.00 H new ATOM 0 HA TRP A 53 13.643 -4.632 0.994 1.00 0.00 H new ATOM 0 HB2 TRP A 53 13.573 -2.394 2.672 1.00 0.00 H new ATOM 0 HB3 TRP A 53 15.283 -2.764 2.564 1.00 0.00 H new ATOM 0 HD1 TRP A 53 13.395 -0.326 1.085 1.00 0.00 H new ATOM 0 HE1 TRP A 53 13.872 0.135 -1.415 1.00 0.00 H new ATOM 0 HE3 TRP A 53 15.759 -4.708 -0.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 15.099 -1.229 -3.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 16.562 -5.063 -2.341 1.00 0.00 H new ATOM 0 HH2 TRP A 53 16.237 -3.344 -4.071 1.00 0.00 H new ATOM 767 N ASP A 54 15.061 -6.424 2.767 1.00 0.00 N ATOM 768 CA ASP A 54 16.178 -7.307 3.083 1.00 0.00 C ATOM 769 C ASP A 54 15.982 -8.688 2.461 1.00 0.00 C ATOM 770 O ASP A 54 16.571 -9.670 2.913 1.00 0.00 O ATOM 771 CB ASP A 54 16.337 -7.436 4.599 1.00 0.00 C ATOM 772 CG ASP A 54 17.785 -7.344 5.039 1.00 0.00 C ATOM 773 OD1 ASP A 54 18.518 -8.343 4.881 1.00 0.00 O ATOM 774 OD2 ASP A 54 18.186 -6.274 5.542 1.00 0.00 O ATOM 0 H ASP A 54 14.141 -6.824 2.953 1.00 0.00 H new ATOM 0 HA ASP A 54 17.083 -6.868 2.663 1.00 0.00 H new ATOM 0 HB2 ASP A 54 15.761 -6.652 5.090 1.00 0.00 H new ATOM 0 HB3 ASP A 54 15.921 -8.389 4.925 1.00 0.00 H new ATOM 779 N SER A 55 15.152 -8.758 1.423 1.00 0.00 N ATOM 780 CA SER A 55 14.884 -10.021 0.745 1.00 0.00 C ATOM 781 C SER A 55 14.331 -11.055 1.720 1.00 0.00 C ATOM 782 O SER A 55 15.087 -11.790 2.356 1.00 0.00 O ATOM 783 CB SER A 55 16.160 -10.553 0.090 1.00 0.00 C ATOM 784 OG SER A 55 15.891 -11.704 -0.692 1.00 0.00 O ATOM 0 H SER A 55 14.655 -7.956 1.035 1.00 0.00 H new ATOM 0 HA SER A 55 14.136 -9.839 -0.027 1.00 0.00 H new ATOM 0 HB2 SER A 55 16.600 -9.778 -0.537 1.00 0.00 H new ATOM 0 HB3 SER A 55 16.893 -10.795 0.859 1.00 0.00 H new ATOM 0 HG SER A 55 16.722 -12.023 -1.101 1.00 0.00 H new ATOM 790 N ALA A 56 13.008 -11.107 1.834 1.00 0.00 N ATOM 791 CA ALA A 56 12.358 -12.051 2.732 1.00 0.00 C ATOM 792 C ALA A 56 10.922 -12.323 2.300 1.00 0.00 C ATOM 793 O ALA A 56 10.605 -13.408 1.812 1.00 0.00 O ATOM 794 CB ALA A 56 12.392 -11.529 4.160 1.00 0.00 C ATOM 0 H ALA A 56 12.367 -10.507 1.316 1.00 0.00 H new ATOM 0 HA ALA A 56 12.906 -12.992 2.687 1.00 0.00 H new ATOM 0 HB1 ALA A 56 11.903 -12.245 4.821 1.00 0.00 H new ATOM 0 HB2 ALA A 56 13.427 -11.395 4.474 1.00 0.00 H new ATOM 0 HB3 ALA A 56 11.871 -10.573 4.210 1.00 0.00 H new ATOM 800 N ARG A 57 10.054 -11.333 2.486 1.00 0.00 N ATOM 801 CA ARG A 57 8.650 -11.470 2.118 1.00 0.00 C ATOM 802 C ARG A 57 7.874 -10.188 2.414 1.00 0.00 C ATOM 803 O ARG A 57 8.462 -9.134 2.667 1.00 0.00 O ATOM 804 CB ARG A 57 8.024 -12.643 2.873 1.00 0.00 C ATOM 805 CG ARG A 57 7.072 -13.476 2.029 1.00 0.00 C ATOM 806 CD ARG A 57 7.784 -14.647 1.372 1.00 0.00 C ATOM 807 NE ARG A 57 7.004 -15.214 0.274 1.00 0.00 N ATOM 808 CZ ARG A 57 7.518 -15.991 -0.676 1.00 0.00 C ATOM 809 NH1 ARG A 57 8.810 -16.295 -0.666 1.00 0.00 N ATOM 810 NH2 ARG A 57 6.738 -16.465 -1.638 1.00 0.00 N ATOM 0 H ARG A 57 10.298 -10.428 2.889 1.00 0.00 H new ATOM 0 HA ARG A 57 8.598 -11.659 1.046 1.00 0.00 H new ATOM 0 HB2 ARG A 57 8.819 -13.287 3.250 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.486 -12.260 3.740 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.261 -13.848 2.655 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.620 -12.847 1.262 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.753 -14.318 0.997 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.976 -15.419 2.117 1.00 0.00 H new ATOM 0 HE ARG A 57 6.007 -15.002 0.233 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.413 -15.933 0.072 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.199 -16.891 -1.396 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.745 -16.234 -1.649 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.131 -17.061 -2.367 1.00 0.00 H new ATOM 824 N THR A 58 6.547 -10.289 2.382 1.00 0.00 N ATOM 825 CA THR A 58 5.683 -9.146 2.647 1.00 0.00 C ATOM 826 C THR A 58 4.933 -9.327 3.964 1.00 0.00 C ATOM 827 O THR A 58 5.122 -10.319 4.667 1.00 0.00 O ATOM 828 CB THR A 58 4.688 -8.954 1.499 1.00 0.00 C ATOM 829 OG1 THR A 58 5.040 -9.758 0.387 1.00 0.00 O ATOM 830 CG2 THR A 58 4.598 -7.522 1.017 1.00 0.00 C ATOM 0 H THR A 58 6.048 -11.154 2.174 1.00 0.00 H new ATOM 0 HA THR A 58 6.309 -8.257 2.726 1.00 0.00 H new ATOM 0 HB THR A 58 3.720 -9.246 1.907 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.391 -9.621 -0.334 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.876 -7.457 0.203 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.278 -6.881 1.839 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.575 -7.196 0.662 1.00 0.00 H new ATOM 838 N TYR A 59 4.089 -8.357 4.293 1.00 0.00 N ATOM 839 CA TYR A 59 3.313 -8.395 5.524 1.00 0.00 C ATOM 840 C TYR A 59 1.877 -7.945 5.277 1.00 0.00 C ATOM 841 O TYR A 59 1.590 -6.748 5.271 1.00 0.00 O ATOM 842 CB TYR A 59 3.966 -7.496 6.576 1.00 0.00 C ATOM 843 CG TYR A 59 3.112 -7.273 7.806 1.00 0.00 C ATOM 844 CD1 TYR A 59 2.840 -8.312 8.686 1.00 0.00 C ATOM 845 CD2 TYR A 59 2.574 -6.022 8.081 1.00 0.00 C ATOM 846 CE1 TYR A 59 2.055 -8.111 9.806 1.00 0.00 C ATOM 847 CE2 TYR A 59 1.790 -5.812 9.199 1.00 0.00 C ATOM 848 CZ TYR A 59 1.533 -6.859 10.057 1.00 0.00 C ATOM 849 OH TYR A 59 0.752 -6.655 11.171 1.00 0.00 O ATOM 0 H TYR A 59 3.925 -7.530 3.720 1.00 0.00 H new ATOM 0 HA TYR A 59 3.292 -9.423 5.886 1.00 0.00 H new ATOM 0 HB2 TYR A 59 4.915 -7.938 6.880 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.194 -6.531 6.124 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.248 -9.293 8.492 1.00 0.00 H new ATOM 0 HD2 TYR A 59 2.772 -5.200 7.409 1.00 0.00 H new ATOM 0 HE1 TYR A 59 1.852 -8.929 10.481 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.381 -4.833 9.399 1.00 0.00 H new ATOM 0 HH TYR A 59 0.465 -5.719 11.202 1.00 0.00 H new ATOM 859 N TYR A 60 0.982 -8.907 5.076 1.00 0.00 N ATOM 860 CA TYR A 60 -0.418 -8.612 4.831 1.00 0.00 C ATOM 861 C TYR A 60 -1.182 -8.455 6.142 1.00 0.00 C ATOM 862 O TYR A 60 -0.771 -8.976 7.179 1.00 0.00 O ATOM 863 CB TYR A 60 -1.047 -9.732 4.004 1.00 0.00 C ATOM 864 CG TYR A 60 -0.313 -10.053 2.718 1.00 0.00 C ATOM 865 CD1 TYR A 60 0.692 -9.224 2.233 1.00 0.00 C ATOM 866 CD2 TYR A 60 -0.632 -11.191 1.987 1.00 0.00 C ATOM 867 CE1 TYR A 60 1.357 -9.521 1.058 1.00 0.00 C ATOM 868 CE2 TYR A 60 0.028 -11.494 0.812 1.00 0.00 C ATOM 869 CZ TYR A 60 1.021 -10.657 0.352 1.00 0.00 C ATOM 870 OH TYR A 60 1.681 -10.955 -0.817 1.00 0.00 O ATOM 0 H TYR A 60 1.207 -9.902 5.079 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.477 -7.672 4.282 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -1.095 -10.634 4.614 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -2.073 -9.455 3.762 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.958 -8.333 2.783 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.410 -11.850 2.344 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.136 -8.867 0.695 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.233 -12.383 0.257 1.00 0.00 H new ATOM 0 HH TYR A 60 1.326 -11.789 -1.190 1.00 0.00 H new ATOM 880 N ALA A 61 -2.303 -7.746 6.084 1.00 0.00 N ATOM 881 CA ALA A 61 -3.136 -7.532 7.261 1.00 0.00 C ATOM 882 C ALA A 61 -4.290 -8.527 7.281 1.00 0.00 C ATOM 883 O ALA A 61 -4.607 -9.139 6.261 1.00 0.00 O ATOM 884 CB ALA A 61 -3.661 -6.104 7.286 1.00 0.00 C ATOM 0 H ALA A 61 -2.657 -7.309 5.233 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.528 -7.691 8.152 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.281 -5.960 8.171 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.822 -5.408 7.314 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.256 -5.919 6.392 1.00 0.00 H new ATOM 890 N SER A 62 -4.920 -8.691 8.441 1.00 0.00 N ATOM 891 CA SER A 62 -6.032 -9.621 8.573 1.00 0.00 C ATOM 892 C SER A 62 -7.341 -9.008 8.086 1.00 0.00 C ATOM 893 O SER A 62 -8.416 -9.317 8.600 1.00 0.00 O ATOM 894 CB SER A 62 -6.176 -10.086 10.023 1.00 0.00 C ATOM 895 OG SER A 62 -5.188 -11.048 10.350 1.00 0.00 O ATOM 0 H SER A 62 -4.679 -8.193 9.298 1.00 0.00 H new ATOM 0 HA SER A 62 -5.812 -10.483 7.943 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.091 -9.230 10.693 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.168 -10.512 10.175 1.00 0.00 H new ATOM 0 HG SER A 62 -5.300 -11.328 11.282 1.00 0.00 H new ATOM 901 N SER A 63 -7.238 -8.159 7.076 1.00 0.00 N ATOM 902 CA SER A 63 -8.401 -7.513 6.486 1.00 0.00 C ATOM 903 C SER A 63 -8.519 -7.902 5.016 1.00 0.00 C ATOM 904 O SER A 63 -9.607 -7.885 4.441 1.00 0.00 O ATOM 905 CB SER A 63 -8.296 -5.992 6.622 1.00 0.00 C ATOM 906 OG SER A 63 -8.946 -5.538 7.796 1.00 0.00 O ATOM 0 H SER A 63 -6.352 -7.899 6.644 1.00 0.00 H new ATOM 0 HA SER A 63 -9.293 -7.846 7.016 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.247 -5.698 6.647 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.740 -5.514 5.749 1.00 0.00 H new ATOM 0 HG SER A 63 -8.863 -4.564 7.860 1.00 0.00 H new ATOM 912 N VAL A 64 -7.383 -8.259 4.417 1.00 0.00 N ATOM 913 CA VAL A 64 -7.340 -8.661 3.019 1.00 0.00 C ATOM 914 C VAL A 64 -6.236 -9.692 2.778 1.00 0.00 C ATOM 915 O VAL A 64 -5.811 -9.900 1.642 1.00 0.00 O ATOM 916 CB VAL A 64 -7.099 -7.450 2.099 1.00 0.00 C ATOM 917 CG1 VAL A 64 -8.278 -6.490 2.155 1.00 0.00 C ATOM 918 CG2 VAL A 64 -5.807 -6.742 2.479 1.00 0.00 C ATOM 0 H VAL A 64 -6.477 -8.276 4.885 1.00 0.00 H new ATOM 0 HA VAL A 64 -8.308 -9.104 2.785 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.004 -7.809 1.074 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -8.088 -5.641 1.498 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.182 -7.005 1.830 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.410 -6.135 3.177 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.652 -5.889 1.819 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -5.872 -6.396 3.511 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -4.970 -7.434 2.380 1.00 0.00 H new ATOM 928 N ARG A 65 -5.773 -10.334 3.852 1.00 0.00 N ATOM 929 CA ARG A 65 -4.727 -11.329 3.754 1.00 0.00 C ATOM 930 C ARG A 65 -5.254 -12.589 3.092 1.00 0.00 C ATOM 931 O ARG A 65 -5.606 -13.568 3.750 1.00 0.00 O ATOM 932 CB ARG A 65 -4.166 -11.628 5.143 1.00 0.00 C ATOM 933 CG ARG A 65 -3.420 -12.945 5.241 1.00 0.00 C ATOM 934 CD ARG A 65 -2.379 -12.919 6.350 1.00 0.00 C ATOM 935 NE ARG A 65 -1.040 -12.635 5.839 1.00 0.00 N ATOM 936 CZ ARG A 65 -0.370 -13.446 5.023 1.00 0.00 C ATOM 937 NH1 ARG A 65 -0.907 -14.595 4.630 1.00 0.00 N ATOM 938 NH2 ARG A 65 0.841 -13.109 4.601 1.00 0.00 N ATOM 0 H ARG A 65 -6.114 -10.175 4.800 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.920 -10.941 3.133 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.494 -10.820 5.433 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.986 -11.634 5.861 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.129 -13.752 5.426 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.933 -13.160 4.290 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.653 -12.164 7.087 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.374 -13.880 6.865 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.592 -11.764 6.124 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.837 -14.860 4.953 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -0.389 -15.212 4.005 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.259 -12.229 4.902 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.354 -13.730 3.976 1.00 0.00 H new ATOM 952 N GLY A 66 -5.300 -12.535 1.779 1.00 0.00 N ATOM 953 CA GLY A 66 -5.779 -13.649 0.992 1.00 0.00 C ATOM 954 C GLY A 66 -6.521 -13.203 -0.254 1.00 0.00 C ATOM 955 O GLY A 66 -6.888 -14.027 -1.091 1.00 0.00 O ATOM 0 H GLY A 66 -5.009 -11.725 1.231 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.935 -14.276 0.704 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -6.439 -14.265 1.603 1.00 0.00 H new ATOM 959 N ARG A 67 -6.747 -11.897 -0.378 1.00 0.00 N ATOM 960 CA ARG A 67 -7.455 -11.353 -1.532 1.00 0.00 C ATOM 961 C ARG A 67 -6.617 -10.297 -2.250 1.00 0.00 C ATOM 962 O ARG A 67 -6.635 -10.209 -3.477 1.00 0.00 O ATOM 963 CB ARG A 67 -8.791 -10.749 -1.096 1.00 0.00 C ATOM 964 CG ARG A 67 -8.662 -9.741 0.035 1.00 0.00 C ATOM 965 CD ARG A 67 -9.908 -8.878 0.161 1.00 0.00 C ATOM 966 NE ARG A 67 -10.520 -8.991 1.483 1.00 0.00 N ATOM 967 CZ ARG A 67 -11.346 -8.083 1.999 1.00 0.00 C ATOM 968 NH1 ARG A 67 -11.665 -6.995 1.308 1.00 0.00 N ATOM 969 NH2 ARG A 67 -11.856 -8.263 3.210 1.00 0.00 N ATOM 0 H ARG A 67 -6.451 -11.199 0.304 1.00 0.00 H new ATOM 0 HA ARG A 67 -7.639 -12.172 -2.227 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -9.258 -10.263 -1.953 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.458 -11.552 -0.782 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -8.487 -10.267 0.974 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -7.794 -9.105 -0.141 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -9.649 -7.837 -0.031 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -10.631 -9.172 -0.600 1.00 0.00 H new ATOM 0 HE ARG A 67 -10.301 -9.814 2.044 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -11.277 -6.851 0.376 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -12.298 -6.303 1.709 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -11.615 -9.097 3.746 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -12.489 -7.568 3.605 1.00 0.00 H new ATOM 983 N PHE A 68 -5.888 -9.496 -1.479 1.00 0.00 N ATOM 984 CA PHE A 68 -5.050 -8.444 -2.046 1.00 0.00 C ATOM 985 C PHE A 68 -3.692 -8.995 -2.475 1.00 0.00 C ATOM 986 O PHE A 68 -3.205 -9.978 -1.917 1.00 0.00 O ATOM 987 CB PHE A 68 -4.859 -7.315 -1.028 1.00 0.00 C ATOM 988 CG PHE A 68 -6.042 -6.389 -0.908 1.00 0.00 C ATOM 989 CD1 PHE A 68 -7.317 -6.808 -1.263 1.00 0.00 C ATOM 990 CD2 PHE A 68 -5.876 -5.096 -0.436 1.00 0.00 C ATOM 991 CE1 PHE A 68 -8.399 -5.956 -1.149 1.00 0.00 C ATOM 992 CE2 PHE A 68 -6.955 -4.240 -0.321 1.00 0.00 C ATOM 993 CZ PHE A 68 -8.218 -4.670 -0.677 1.00 0.00 C ATOM 0 H PHE A 68 -5.860 -9.555 -0.461 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.553 -8.050 -2.929 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -4.653 -7.752 -0.051 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.982 -6.732 -1.308 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.465 -7.812 -1.633 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.891 -4.753 -0.155 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -9.386 -6.295 -1.429 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.810 -3.235 0.047 1.00 0.00 H new ATOM 0 HZ PHE A 68 -9.062 -4.003 -0.587 1.00 0.00 H new ATOM 1003 N THR A 69 -3.087 -8.353 -3.471 1.00 0.00 N ATOM 1004 CA THR A 69 -1.785 -8.776 -3.978 1.00 0.00 C ATOM 1005 C THR A 69 -0.788 -7.625 -3.945 1.00 0.00 C ATOM 1006 O THR A 69 -1.172 -6.456 -3.991 1.00 0.00 O ATOM 1007 CB THR A 69 -1.921 -9.309 -5.405 1.00 0.00 C ATOM 1008 OG1 THR A 69 -2.926 -10.305 -5.475 1.00 0.00 O ATOM 1009 CG2 THR A 69 -0.641 -9.910 -5.944 1.00 0.00 C ATOM 0 H THR A 69 -3.478 -7.538 -3.943 1.00 0.00 H new ATOM 0 HA THR A 69 -1.412 -9.572 -3.334 1.00 0.00 H new ATOM 0 HB THR A 69 -2.181 -8.442 -6.013 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.808 -9.878 -5.507 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.807 -10.269 -6.960 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.142 -9.152 -5.950 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.335 -10.743 -5.311 1.00 0.00 H new ATOM 1017 N ILE A 70 0.492 -7.967 -3.859 1.00 0.00 N ATOM 1018 CA ILE A 70 1.553 -6.970 -3.809 1.00 0.00 C ATOM 1019 C ILE A 70 2.797 -7.454 -4.552 1.00 0.00 C ATOM 1020 O ILE A 70 3.188 -8.615 -4.434 1.00 0.00 O ATOM 1021 CB ILE A 70 1.921 -6.643 -2.350 1.00 0.00 C ATOM 1022 CG1 ILE A 70 3.048 -5.606 -2.285 1.00 0.00 C ATOM 1023 CG2 ILE A 70 2.312 -7.915 -1.614 1.00 0.00 C ATOM 1024 CD1 ILE A 70 2.586 -4.248 -1.804 1.00 0.00 C ATOM 0 H ILE A 70 0.821 -8.932 -3.822 1.00 0.00 H new ATOM 0 HA ILE A 70 1.182 -6.069 -4.297 1.00 0.00 H new ATOM 0 HB ILE A 70 1.047 -6.211 -1.862 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.831 -5.972 -1.621 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.493 -5.501 -3.274 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.571 -7.674 -0.583 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.475 -8.613 -1.624 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.171 -8.371 -2.106 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.433 -3.562 -1.782 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.824 -3.862 -2.481 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.167 -4.340 -0.802 1.00 0.00 H new ATOM 1036 N SER A 71 3.414 -6.557 -5.315 1.00 0.00 N ATOM 1037 CA SER A 71 4.613 -6.894 -6.074 1.00 0.00 C ATOM 1038 C SER A 71 5.350 -5.633 -6.517 1.00 0.00 C ATOM 1039 O SER A 71 4.735 -4.675 -6.985 1.00 0.00 O ATOM 1040 CB SER A 71 4.250 -7.742 -7.294 1.00 0.00 C ATOM 1041 OG SER A 71 3.500 -6.991 -8.233 1.00 0.00 O ATOM 0 H SER A 71 3.103 -5.592 -5.424 1.00 0.00 H new ATOM 0 HA SER A 71 5.273 -7.469 -5.425 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.159 -8.115 -7.765 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.675 -8.612 -6.978 1.00 0.00 H new ATOM 0 HG SER A 71 3.282 -7.555 -9.004 1.00 0.00 H new ATOM 1047 N ARG A 72 6.670 -5.641 -6.364 1.00 0.00 N ATOM 1048 CA ARG A 72 7.491 -4.498 -6.746 1.00 0.00 C ATOM 1049 C ARG A 72 7.915 -4.593 -8.209 1.00 0.00 C ATOM 1050 O ARG A 72 7.776 -5.641 -8.839 1.00 0.00 O ATOM 1051 CB ARG A 72 8.728 -4.409 -5.850 1.00 0.00 C ATOM 1052 CG ARG A 72 9.602 -5.654 -5.893 1.00 0.00 C ATOM 1053 CD ARG A 72 10.000 -6.106 -4.497 1.00 0.00 C ATOM 1054 NE ARG A 72 9.008 -7.002 -3.908 1.00 0.00 N ATOM 1055 CZ ARG A 72 8.913 -8.297 -4.200 1.00 0.00 C ATOM 1056 NH1 ARG A 72 9.745 -8.851 -5.072 1.00 0.00 N ATOM 1057 NH2 ARG A 72 7.981 -9.040 -3.617 1.00 0.00 N ATOM 0 H ARG A 72 7.194 -6.426 -5.978 1.00 0.00 H new ATOM 0 HA ARG A 72 6.892 -3.596 -6.619 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.323 -3.547 -6.151 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.410 -4.234 -4.822 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.066 -6.458 -6.398 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.498 -5.450 -6.480 1.00 0.00 H new ATOM 0 HD2 ARG A 72 10.965 -6.612 -4.541 1.00 0.00 H new ATOM 0 HD3 ARG A 72 10.127 -5.234 -3.856 1.00 0.00 H new ATOM 0 HE ARG A 72 8.350 -6.612 -3.233 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.463 -8.284 -5.523 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.667 -9.844 -5.291 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.339 -8.619 -2.946 1.00 0.00 H new ATOM 0 HH22 ARG A 72 7.907 -10.033 -3.840 1.00 0.00 H new ATOM 1071 N ASP A 73 8.433 -3.491 -8.742 1.00 0.00 N ATOM 1072 CA ASP A 73 8.878 -3.449 -10.130 1.00 0.00 C ATOM 1073 C ASP A 73 10.370 -3.752 -10.235 1.00 0.00 C ATOM 1074 O ASP A 73 10.831 -4.309 -11.230 1.00 0.00 O ATOM 1075 CB ASP A 73 8.582 -2.078 -10.743 1.00 0.00 C ATOM 1076 CG ASP A 73 8.356 -2.150 -12.241 1.00 0.00 C ATOM 1077 OD1 ASP A 73 8.688 -3.193 -12.843 1.00 0.00 O ATOM 1078 OD2 ASP A 73 7.846 -1.164 -12.812 1.00 0.00 O ATOM 0 H ASP A 73 8.555 -2.615 -8.234 1.00 0.00 H new ATOM 0 HA ASP A 73 8.330 -4.213 -10.682 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.699 -1.653 -10.265 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.413 -1.404 -10.536 1.00 0.00 H new ATOM 1083 N ASN A 74 11.118 -3.379 -9.201 1.00 0.00 N ATOM 1084 CA ASN A 74 12.558 -3.609 -9.177 1.00 0.00 C ATOM 1085 C ASN A 74 13.251 -2.844 -10.301 1.00 0.00 C ATOM 1086 O ASN A 74 14.299 -3.260 -10.794 1.00 0.00 O ATOM 1087 CB ASN A 74 12.861 -5.104 -9.297 1.00 0.00 C ATOM 1088 CG ASN A 74 13.914 -5.562 -8.307 1.00 0.00 C ATOM 1089 OD1 ASN A 74 15.109 -5.550 -8.604 1.00 0.00 O ATOM 1090 ND2 ASN A 74 13.475 -5.968 -7.122 1.00 0.00 N ATOM 0 H ASN A 74 10.751 -2.916 -8.369 1.00 0.00 H new ATOM 0 HA ASN A 74 12.942 -3.245 -8.224 1.00 0.00 H new ATOM 0 HB2 ASN A 74 11.944 -5.672 -9.137 1.00 0.00 H new ATOM 0 HB3 ASN A 74 13.199 -5.323 -10.310 1.00 0.00 H new ATOM 0 HD21 ASN A 74 14.137 -6.287 -6.415 1.00 0.00 H new ATOM 0 HD22 ASN A 74 12.475 -5.961 -6.919 1.00 0.00 H new ATOM 1097 N ALA A 75 12.659 -1.722 -10.701 1.00 0.00 N ATOM 1098 CA ALA A 75 13.218 -0.899 -11.763 1.00 0.00 C ATOM 1099 C ALA A 75 13.548 0.500 -11.256 1.00 0.00 C ATOM 1100 O ALA A 75 14.665 0.988 -11.432 1.00 0.00 O ATOM 1101 CB ALA A 75 12.252 -0.823 -12.936 1.00 0.00 C ATOM 0 H ALA A 75 11.791 -1.364 -10.303 1.00 0.00 H new ATOM 0 HA ALA A 75 14.145 -1.364 -12.100 1.00 0.00 H new ATOM 0 HB1 ALA A 75 12.683 -0.204 -13.723 1.00 0.00 H new ATOM 0 HB2 ALA A 75 12.069 -1.826 -13.322 1.00 0.00 H new ATOM 0 HB3 ALA A 75 11.311 -0.385 -12.604 1.00 0.00 H new ATOM 1107 N LYS A 76 12.570 1.141 -10.625 1.00 0.00 N ATOM 1108 CA LYS A 76 12.755 2.485 -10.091 1.00 0.00 C ATOM 1109 C LYS A 76 12.234 2.577 -8.660 1.00 0.00 C ATOM 1110 O LYS A 76 11.760 3.628 -8.228 1.00 0.00 O ATOM 1111 CB LYS A 76 12.042 3.510 -10.973 1.00 0.00 C ATOM 1112 CG LYS A 76 12.886 4.005 -12.136 1.00 0.00 C ATOM 1113 CD LYS A 76 14.187 4.628 -11.656 1.00 0.00 C ATOM 1114 CE LYS A 76 14.639 5.752 -12.574 1.00 0.00 C ATOM 1115 NZ LYS A 76 16.121 5.805 -12.699 1.00 0.00 N ATOM 0 H LYS A 76 11.640 0.751 -10.471 1.00 0.00 H new ATOM 0 HA LYS A 76 13.823 2.703 -10.085 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.126 3.066 -11.363 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.748 4.362 -10.360 1.00 0.00 H new ATOM 0 HG2 LYS A 76 13.105 3.174 -12.807 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.321 4.739 -12.711 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.056 5.013 -10.645 1.00 0.00 H new ATOM 0 HD3 LYS A 76 14.962 3.863 -11.607 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.196 5.615 -13.561 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.273 6.704 -12.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 16.388 6.585 -13.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 16.543 5.961 -11.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 16.469 4.906 -13.090 1.00 0.00 H new ATOM 1129 N LYS A 77 12.327 1.471 -7.930 1.00 0.00 N ATOM 1130 CA LYS A 77 11.866 1.424 -6.548 1.00 0.00 C ATOM 1131 C LYS A 77 10.367 1.699 -6.462 1.00 0.00 C ATOM 1132 O LYS A 77 9.922 2.540 -5.680 1.00 0.00 O ATOM 1133 CB LYS A 77 12.635 2.438 -5.697 1.00 0.00 C ATOM 1134 CG LYS A 77 13.931 1.889 -5.123 1.00 0.00 C ATOM 1135 CD LYS A 77 13.873 1.786 -3.607 1.00 0.00 C ATOM 1136 CE LYS A 77 14.100 3.137 -2.949 1.00 0.00 C ATOM 1137 NZ LYS A 77 13.324 3.278 -1.686 1.00 0.00 N ATOM 0 H LYS A 77 12.718 0.594 -8.273 1.00 0.00 H new ATOM 0 HA LYS A 77 12.053 0.422 -6.163 1.00 0.00 H new ATOM 0 HB2 LYS A 77 12.859 3.315 -6.305 1.00 0.00 H new ATOM 0 HB3 LYS A 77 11.997 2.772 -4.879 1.00 0.00 H new ATOM 0 HG2 LYS A 77 14.130 0.905 -5.548 1.00 0.00 H new ATOM 0 HG3 LYS A 77 14.760 2.534 -5.413 1.00 0.00 H new ATOM 0 HD2 LYS A 77 12.903 1.391 -3.305 1.00 0.00 H new ATOM 0 HD3 LYS A 77 14.627 1.080 -3.260 1.00 0.00 H new ATOM 0 HE2 LYS A 77 15.162 3.264 -2.739 1.00 0.00 H new ATOM 0 HE3 LYS A 77 13.815 3.930 -3.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 12.559 3.969 -1.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 12.916 2.358 -1.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 13.954 3.606 -0.926 1.00 0.00 H new ATOM 1151 N THR A 78 9.592 0.982 -7.270 1.00 0.00 N ATOM 1152 CA THR A 78 8.143 1.146 -7.284 1.00 0.00 C ATOM 1153 C THR A 78 7.450 -0.115 -6.780 1.00 0.00 C ATOM 1154 O THR A 78 7.959 -1.224 -6.944 1.00 0.00 O ATOM 1155 CB THR A 78 7.655 1.477 -8.698 1.00 0.00 C ATOM 1156 OG1 THR A 78 8.172 2.724 -9.127 1.00 0.00 O ATOM 1157 CG2 THR A 78 6.145 1.540 -8.817 1.00 0.00 C ATOM 0 H THR A 78 9.943 0.282 -7.923 1.00 0.00 H new ATOM 0 HA THR A 78 7.891 1.972 -6.619 1.00 0.00 H new ATOM 0 HB THR A 78 8.016 0.661 -9.324 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.851 2.917 -10.032 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.871 1.779 -9.845 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.718 0.576 -8.542 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.759 2.311 -8.150 1.00 0.00 H new ATOM 1165 N VAL A 79 6.282 0.064 -6.174 1.00 0.00 N ATOM 1166 CA VAL A 79 5.512 -1.056 -5.653 1.00 0.00 C ATOM 1167 C VAL A 79 4.120 -1.092 -6.273 1.00 0.00 C ATOM 1168 O VAL A 79 3.528 -0.050 -6.554 1.00 0.00 O ATOM 1169 CB VAL A 79 5.387 -0.995 -4.120 1.00 0.00 C ATOM 1170 CG1 VAL A 79 6.759 -1.070 -3.470 1.00 0.00 C ATOM 1171 CG2 VAL A 79 4.650 0.263 -3.686 1.00 0.00 C ATOM 0 H VAL A 79 5.848 0.976 -6.032 1.00 0.00 H new ATOM 0 HA VAL A 79 6.051 -1.965 -5.921 1.00 0.00 H new ATOM 0 HB VAL A 79 4.805 -1.855 -3.790 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.651 -1.025 -2.386 1.00 0.00 H new ATOM 0 HG12 VAL A 79 7.243 -2.006 -3.748 1.00 0.00 H new ATOM 0 HG13 VAL A 79 7.368 -0.232 -3.809 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.574 0.283 -2.599 1.00 0.00 H new ATOM 0 HG22 VAL A 79 5.197 1.142 -4.028 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.650 0.267 -4.120 1.00 0.00 H new ATOM 1181 N TYR A 80 3.604 -2.296 -6.487 1.00 0.00 N ATOM 1182 CA TYR A 80 2.283 -2.465 -7.078 1.00 0.00 C ATOM 1183 C TYR A 80 1.439 -3.434 -6.259 1.00 0.00 C ATOM 1184 O TYR A 80 1.792 -4.603 -6.108 1.00 0.00 O ATOM 1185 CB TYR A 80 2.405 -2.973 -8.513 1.00 0.00 C ATOM 1186 CG TYR A 80 3.349 -2.169 -9.363 1.00 0.00 C ATOM 1187 CD1 TYR A 80 3.163 -0.807 -9.546 1.00 0.00 C ATOM 1188 CD2 TYR A 80 4.425 -2.779 -9.991 1.00 0.00 C ATOM 1189 CE1 TYR A 80 4.025 -0.075 -10.334 1.00 0.00 C ATOM 1190 CE2 TYR A 80 5.291 -2.054 -10.778 1.00 0.00 C ATOM 1191 CZ TYR A 80 5.086 -0.704 -10.946 1.00 0.00 C ATOM 1192 OH TYR A 80 5.949 0.025 -11.732 1.00 0.00 O ATOM 0 H TYR A 80 4.080 -3.169 -6.260 1.00 0.00 H new ATOM 0 HA TYR A 80 1.790 -1.493 -7.082 1.00 0.00 H new ATOM 0 HB2 TYR A 80 2.741 -4.010 -8.494 1.00 0.00 H new ATOM 0 HB3 TYR A 80 1.418 -2.966 -8.976 1.00 0.00 H new ATOM 0 HD1 TYR A 80 2.332 -0.313 -9.065 1.00 0.00 H new ATOM 0 HD2 TYR A 80 4.586 -3.839 -9.860 1.00 0.00 H new ATOM 0 HE1 TYR A 80 3.869 0.985 -10.471 1.00 0.00 H new ATOM 0 HE2 TYR A 80 6.125 -2.542 -11.260 1.00 0.00 H new ATOM 0 HH TYR A 80 6.314 -0.550 -12.437 1.00 0.00 H new ATOM 1202 N LEU A 81 0.320 -2.945 -5.737 1.00 0.00 N ATOM 1203 CA LEU A 81 -0.573 -3.775 -4.941 1.00 0.00 C ATOM 1204 C LEU A 81 -1.914 -3.942 -5.650 1.00 0.00 C ATOM 1205 O LEU A 81 -2.659 -2.978 -5.833 1.00 0.00 O ATOM 1206 CB LEU A 81 -0.737 -3.179 -3.528 1.00 0.00 C ATOM 1207 CG LEU A 81 -2.164 -2.818 -3.085 1.00 0.00 C ATOM 1208 CD1 LEU A 81 -2.361 -3.141 -1.611 1.00 0.00 C ATOM 1209 CD2 LEU A 81 -2.444 -1.347 -3.352 1.00 0.00 C ATOM 0 H LEU A 81 0.011 -1.980 -5.851 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.137 -4.768 -4.829 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.329 -3.891 -2.810 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.125 -2.279 -3.467 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.869 -3.414 -3.664 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.377 -2.879 -1.314 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.198 -4.206 -1.447 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.650 -2.569 -1.015 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.458 -1.106 -3.033 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.734 -0.735 -2.796 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.341 -1.145 -4.418 1.00 0.00 H new ATOM 1221 N GLN A 82 -2.203 -5.173 -6.057 1.00 0.00 N ATOM 1222 CA GLN A 82 -3.438 -5.484 -6.756 1.00 0.00 C ATOM 1223 C GLN A 82 -4.522 -5.933 -5.784 1.00 0.00 C ATOM 1224 O GLN A 82 -4.551 -7.089 -5.362 1.00 0.00 O ATOM 1225 CB GLN A 82 -3.183 -6.574 -7.788 1.00 0.00 C ATOM 1226 CG GLN A 82 -4.035 -6.444 -9.040 1.00 0.00 C ATOM 1227 CD GLN A 82 -3.508 -7.276 -10.192 1.00 0.00 C ATOM 1228 OE1 GLN A 82 -4.035 -8.486 -10.337 1.00 0.00 O flip ATOM 1229 NE2 GLN A 82 -2.639 -6.836 -10.945 1.00 0.00 N flip ATOM 0 H GLN A 82 -1.591 -5.976 -5.912 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.785 -4.580 -7.257 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.131 -6.554 -8.072 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.371 -7.545 -7.331 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -5.056 -6.750 -8.813 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -4.075 -5.397 -9.341 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -2.262 -5.900 -10.797 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -2.296 -7.407 -11.717 1.00 0.00 H new ATOM 1238 N MET A 83 -5.412 -5.014 -5.432 1.00 0.00 N ATOM 1239 CA MET A 83 -6.498 -5.315 -4.510 1.00 0.00 C ATOM 1240 C MET A 83 -7.636 -6.037 -5.223 1.00 0.00 C ATOM 1241 O MET A 83 -8.585 -5.409 -5.692 1.00 0.00 O ATOM 1242 CB MET A 83 -7.021 -4.032 -3.872 1.00 0.00 C ATOM 1243 CG MET A 83 -5.926 -3.118 -3.365 1.00 0.00 C ATOM 1244 SD MET A 83 -6.311 -1.373 -3.600 1.00 0.00 S ATOM 1245 CE MET A 83 -6.126 -0.759 -1.929 1.00 0.00 C ATOM 0 H MET A 83 -5.402 -4.052 -5.772 1.00 0.00 H new ATOM 0 HA MET A 83 -6.106 -5.970 -3.732 1.00 0.00 H new ATOM 0 HB2 MET A 83 -7.624 -3.493 -4.602 1.00 0.00 H new ATOM 0 HB3 MET A 83 -7.680 -4.291 -3.043 1.00 0.00 H new ATOM 0 HG2 MET A 83 -5.761 -3.310 -2.305 1.00 0.00 H new ATOM 0 HG3 MET A 83 -4.995 -3.353 -3.881 1.00 0.00 H new ATOM 0 HE1 MET A 83 -6.418 0.291 -1.893 1.00 0.00 H new ATOM 0 HE2 MET A 83 -6.761 -1.336 -1.257 1.00 0.00 H new ATOM 0 HE3 MET A 83 -5.086 -0.857 -1.618 1.00 0.00 H new ATOM 1255 N ASN A 84 -7.534 -7.359 -5.301 1.00 0.00 N ATOM 1256 CA ASN A 84 -8.551 -8.167 -5.954 1.00 0.00 C ATOM 1257 C ASN A 84 -9.651 -8.551 -4.972 1.00 0.00 C ATOM 1258 O ASN A 84 -9.568 -8.246 -3.782 1.00 0.00 O ATOM 1259 CB ASN A 84 -7.936 -9.432 -6.561 1.00 0.00 C ATOM 1260 CG ASN A 84 -6.418 -9.404 -6.613 1.00 0.00 C ATOM 1261 OD1 ASN A 84 -5.753 -9.247 -5.590 1.00 0.00 O ATOM 1262 ND2 ASN A 84 -5.864 -9.556 -7.811 1.00 0.00 N ATOM 0 H ASN A 84 -6.754 -7.893 -4.918 1.00 0.00 H new ATOM 0 HA ASN A 84 -8.986 -7.568 -6.754 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -8.256 -10.297 -5.979 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -8.324 -9.566 -7.571 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -4.849 -9.545 -7.908 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.454 -9.684 -8.633 1.00 0.00 H new ATOM 1269 N SER A 85 -10.676 -9.231 -5.484 1.00 0.00 N ATOM 1270 CA SER A 85 -11.806 -9.678 -4.668 1.00 0.00 C ATOM 1271 C SER A 85 -12.167 -8.656 -3.589 1.00 0.00 C ATOM 1272 O SER A 85 -12.349 -9.007 -2.423 1.00 0.00 O ATOM 1273 CB SER A 85 -11.480 -11.024 -4.024 1.00 0.00 C ATOM 1274 OG SER A 85 -12.644 -11.821 -3.886 1.00 0.00 O ATOM 0 H SER A 85 -10.748 -9.487 -6.469 1.00 0.00 H new ATOM 0 HA SER A 85 -12.670 -9.784 -5.324 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.744 -11.552 -4.631 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.029 -10.862 -3.045 1.00 0.00 H new ATOM 0 HG SER A 85 -12.407 -12.677 -3.473 1.00 0.00 H new ATOM 1280 N LEU A 86 -12.266 -7.392 -3.986 1.00 0.00 N ATOM 1281 CA LEU A 86 -12.600 -6.324 -3.053 1.00 0.00 C ATOM 1282 C LEU A 86 -13.951 -6.579 -2.393 1.00 0.00 C ATOM 1283 O LEU A 86 -14.751 -7.378 -2.881 1.00 0.00 O ATOM 1284 CB LEU A 86 -12.608 -4.973 -3.773 1.00 0.00 C ATOM 1285 CG LEU A 86 -11.615 -3.948 -3.223 1.00 0.00 C ATOM 1286 CD1 LEU A 86 -10.252 -4.124 -3.875 1.00 0.00 C ATOM 1287 CD2 LEU A 86 -12.134 -2.532 -3.434 1.00 0.00 C ATOM 0 H LEU A 86 -12.120 -7.083 -4.947 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.839 -6.304 -2.273 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -12.391 -5.138 -4.828 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -13.612 -4.552 -3.716 1.00 0.00 H new ATOM 0 HG LEU A 86 -11.506 -4.114 -2.151 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.558 -3.387 -3.472 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.877 -5.126 -3.669 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -10.343 -3.985 -4.952 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.414 -1.817 -3.036 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -12.274 -2.351 -4.500 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -13.086 -2.413 -2.917 1.00 0.00 H new ATOM 1299 N LYS A 87 -14.194 -5.901 -1.277 1.00 0.00 N ATOM 1300 CA LYS A 87 -15.449 -6.063 -0.544 1.00 0.00 C ATOM 1301 C LYS A 87 -16.183 -4.730 -0.378 1.00 0.00 C ATOM 1302 O LYS A 87 -15.654 -3.668 -0.702 1.00 0.00 O ATOM 1303 CB LYS A 87 -15.180 -6.688 0.828 1.00 0.00 C ATOM 1304 CG LYS A 87 -15.675 -8.122 0.949 1.00 0.00 C ATOM 1305 CD LYS A 87 -14.599 -9.041 1.503 1.00 0.00 C ATOM 1306 CE LYS A 87 -15.187 -10.087 2.437 1.00 0.00 C ATOM 1307 NZ LYS A 87 -15.935 -11.139 1.694 1.00 0.00 N ATOM 0 H LYS A 87 -13.543 -5.236 -0.859 1.00 0.00 H new ATOM 0 HA LYS A 87 -16.090 -6.726 -1.126 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.108 -6.664 1.026 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.659 -6.080 1.596 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.550 -8.152 1.599 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.993 -8.482 -0.030 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -14.082 -9.535 0.680 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -13.855 -8.451 2.038 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -14.386 -10.550 3.013 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -15.854 -9.603 3.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -16.320 -11.832 2.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -16.715 -10.701 1.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -15.293 -11.619 1.032 1.00 0.00 H new ATOM 1321 N PRO A 88 -17.424 -4.767 0.137 1.00 0.00 N ATOM 1322 CA PRO A 88 -18.228 -3.561 0.343 1.00 0.00 C ATOM 1323 C PRO A 88 -17.843 -2.797 1.609 1.00 0.00 C ATOM 1324 O PRO A 88 -18.575 -1.912 2.053 1.00 0.00 O ATOM 1325 CB PRO A 88 -19.644 -4.116 0.467 1.00 0.00 C ATOM 1326 CG PRO A 88 -19.463 -5.468 1.067 1.00 0.00 C ATOM 1327 CD PRO A 88 -18.144 -5.987 0.553 1.00 0.00 C ATOM 0 HA PRO A 88 -18.095 -2.840 -0.464 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -20.265 -3.481 1.099 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -20.134 -4.175 -0.505 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -19.461 -5.413 2.156 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -20.279 -6.132 0.783 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -17.599 -6.529 1.326 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -18.282 -6.674 -0.282 1.00 0.00 H new ATOM 1335 N GLU A 89 -16.696 -3.139 2.190 1.00 0.00 N ATOM 1336 CA GLU A 89 -16.231 -2.478 3.403 1.00 0.00 C ATOM 1337 C GLU A 89 -14.773 -2.037 3.277 1.00 0.00 C ATOM 1338 O GLU A 89 -14.137 -1.692 4.274 1.00 0.00 O ATOM 1339 CB GLU A 89 -16.388 -3.411 4.606 1.00 0.00 C ATOM 1340 CG GLU A 89 -17.822 -3.541 5.094 1.00 0.00 C ATOM 1341 CD GLU A 89 -17.919 -3.603 6.606 1.00 0.00 C ATOM 1342 OE1 GLU A 89 -16.910 -3.954 7.252 1.00 0.00 O ATOM 1343 OE2 GLU A 89 -19.005 -3.301 7.143 1.00 0.00 O ATOM 0 H GLU A 89 -16.074 -3.868 1.841 1.00 0.00 H new ATOM 0 HA GLU A 89 -16.843 -1.588 3.551 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -16.013 -4.399 4.340 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -15.767 -3.044 5.423 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -18.404 -2.694 4.731 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -18.267 -4.440 4.668 1.00 0.00 H new ATOM 1350 N ASP A 90 -14.242 -2.045 2.055 1.00 0.00 N ATOM 1351 CA ASP A 90 -12.860 -1.641 1.827 1.00 0.00 C ATOM 1352 C ASP A 90 -12.759 -0.136 1.569 1.00 0.00 C ATOM 1353 O ASP A 90 -11.660 0.411 1.482 1.00 0.00 O ATOM 1354 CB ASP A 90 -12.254 -2.411 0.645 1.00 0.00 C ATOM 1355 CG ASP A 90 -13.164 -3.476 0.091 1.00 0.00 C ATOM 1356 OD1 ASP A 90 -13.699 -4.278 0.886 1.00 0.00 O ATOM 1357 OD2 ASP A 90 -13.342 -3.512 -1.143 1.00 0.00 O ATOM 0 H ASP A 90 -14.746 -2.325 1.214 1.00 0.00 H new ATOM 0 HA ASP A 90 -12.297 -1.878 2.730 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -12.007 -1.706 -0.149 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -11.319 -2.873 0.963 1.00 0.00 H new ATOM 1362 N THR A 91 -13.907 0.528 1.444 1.00 0.00 N ATOM 1363 CA THR A 91 -13.943 1.959 1.194 1.00 0.00 C ATOM 1364 C THR A 91 -13.167 2.730 2.260 1.00 0.00 C ATOM 1365 O THR A 91 -13.614 2.846 3.401 1.00 0.00 O ATOM 1366 CB THR A 91 -15.396 2.419 1.158 1.00 0.00 C ATOM 1367 OG1 THR A 91 -16.101 1.746 0.131 1.00 0.00 O ATOM 1368 CG2 THR A 91 -15.557 3.908 0.933 1.00 0.00 C ATOM 0 H THR A 91 -14.826 0.091 1.513 1.00 0.00 H new ATOM 0 HA THR A 91 -13.467 2.161 0.235 1.00 0.00 H new ATOM 0 HB THR A 91 -15.800 2.180 2.142 1.00 0.00 H new ATOM 0 HG1 THR A 91 -17.033 2.050 0.121 1.00 0.00 H new ATOM 0 HG21 THR A 91 -16.617 4.161 0.919 1.00 0.00 H new ATOM 0 HG22 THR A 91 -15.064 4.453 1.738 1.00 0.00 H new ATOM 0 HG23 THR A 91 -15.106 4.183 -0.021 1.00 0.00 H new ATOM 1376 N ALA A 92 -12.004 3.256 1.881 1.00 0.00 N ATOM 1377 CA ALA A 92 -11.174 4.015 2.814 1.00 0.00 C ATOM 1378 C ALA A 92 -10.019 4.710 2.099 1.00 0.00 C ATOM 1379 O ALA A 92 -9.760 4.455 0.923 1.00 0.00 O ATOM 1380 CB ALA A 92 -10.643 3.101 3.908 1.00 0.00 C ATOM 0 H ALA A 92 -11.617 3.172 0.941 1.00 0.00 H new ATOM 0 HA ALA A 92 -11.799 4.787 3.264 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -10.026 3.678 4.597 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -11.479 2.660 4.452 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -10.043 2.309 3.461 1.00 0.00 H new ATOM 1386 N VAL A 93 -9.322 5.588 2.820 1.00 0.00 N ATOM 1387 CA VAL A 93 -8.194 6.314 2.260 1.00 0.00 C ATOM 1388 C VAL A 93 -6.929 5.458 2.296 1.00 0.00 C ATOM 1389 O VAL A 93 -6.357 5.222 3.358 1.00 0.00 O ATOM 1390 CB VAL A 93 -7.970 7.642 3.015 1.00 0.00 C ATOM 1391 CG1 VAL A 93 -7.310 7.416 4.369 1.00 0.00 C ATOM 1392 CG2 VAL A 93 -7.157 8.610 2.170 1.00 0.00 C ATOM 0 H VAL A 93 -9.523 5.811 3.795 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.422 6.545 1.220 1.00 0.00 H new ATOM 0 HB VAL A 93 -8.949 8.084 3.200 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -7.169 8.374 4.870 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -7.946 6.777 4.981 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -6.342 6.935 4.226 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -7.011 9.539 2.721 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -6.188 8.167 1.941 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.689 8.818 1.242 1.00 0.00 H new ATOM 1402 N TYR A 94 -6.507 4.977 1.132 1.00 0.00 N ATOM 1403 CA TYR A 94 -5.334 4.136 1.036 1.00 0.00 C ATOM 1404 C TYR A 94 -4.069 4.969 0.874 1.00 0.00 C ATOM 1405 O TYR A 94 -3.793 5.493 -0.204 1.00 0.00 O ATOM 1406 CB TYR A 94 -5.497 3.182 -0.140 1.00 0.00 C ATOM 1407 CG TYR A 94 -6.140 1.868 0.237 1.00 0.00 C ATOM 1408 CD1 TYR A 94 -5.374 0.800 0.687 1.00 0.00 C ATOM 1409 CD2 TYR A 94 -7.516 1.698 0.148 1.00 0.00 C ATOM 1410 CE1 TYR A 94 -5.962 -0.401 1.038 1.00 0.00 C ATOM 1411 CE2 TYR A 94 -8.111 0.501 0.496 1.00 0.00 C ATOM 1412 CZ TYR A 94 -7.330 -0.545 0.940 1.00 0.00 C ATOM 1413 OH TYR A 94 -7.919 -1.738 1.289 1.00 0.00 O ATOM 0 H TYR A 94 -6.967 5.160 0.240 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.235 3.565 1.959 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -6.099 3.665 -0.909 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.518 2.986 -0.578 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -4.302 0.910 0.764 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -8.131 2.515 -0.199 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.353 -1.222 1.387 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -9.182 0.385 0.421 1.00 0.00 H new ATOM 0 HH TYR A 94 -8.889 -1.673 1.163 1.00 0.00 H new ATOM 1423 N THR A 95 -3.307 5.091 1.954 1.00 0.00 N ATOM 1424 CA THR A 95 -2.075 5.866 1.928 1.00 0.00 C ATOM 1425 C THR A 95 -0.848 4.961 1.906 1.00 0.00 C ATOM 1426 O THR A 95 -0.726 4.040 2.713 1.00 0.00 O ATOM 1427 CB THR A 95 -2.018 6.807 3.134 1.00 0.00 C ATOM 1428 OG1 THR A 95 -1.047 7.822 2.938 1.00 0.00 O ATOM 1429 CG2 THR A 95 -1.692 6.105 4.437 1.00 0.00 C ATOM 0 H THR A 95 -3.520 4.664 2.856 1.00 0.00 H new ATOM 0 HA THR A 95 -2.070 6.457 1.012 1.00 0.00 H new ATOM 0 HB THR A 95 -3.020 7.228 3.211 1.00 0.00 H new ATOM 0 HG1 THR A 95 -1.029 8.413 3.720 1.00 0.00 H new ATOM 0 HG21 THR A 95 -1.669 6.834 5.247 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.454 5.354 4.646 1.00 0.00 H new ATOM 0 HG23 THR A 95 -0.719 5.621 4.356 1.00 0.00 H new ATOM 1437 N CYS A 96 0.062 5.237 0.979 1.00 0.00 N ATOM 1438 CA CYS A 96 1.286 4.459 0.854 1.00 0.00 C ATOM 1439 C CYS A 96 2.348 4.988 1.810 1.00 0.00 C ATOM 1440 O CYS A 96 2.455 6.196 2.023 1.00 0.00 O ATOM 1441 CB CYS A 96 1.800 4.510 -0.586 1.00 0.00 C ATOM 1442 SG CYS A 96 3.403 3.681 -0.842 1.00 0.00 S ATOM 0 H CYS A 96 -0.026 5.995 0.303 1.00 0.00 H new ATOM 0 HA CYS A 96 1.068 3.423 1.112 1.00 0.00 H new ATOM 0 HB2 CYS A 96 1.059 4.051 -1.240 1.00 0.00 H new ATOM 0 HB3 CYS A 96 1.891 5.553 -0.890 1.00 0.00 H new ATOM 1447 N GLY A 97 3.128 4.083 2.388 1.00 0.00 N ATOM 1448 CA GLY A 97 4.164 4.491 3.316 1.00 0.00 C ATOM 1449 C GLY A 97 5.346 3.545 3.327 1.00 0.00 C ATOM 1450 O GLY A 97 5.247 2.408 2.868 1.00 0.00 O ATOM 0 H GLY A 97 3.062 3.077 2.231 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.507 5.492 3.053 1.00 0.00 H new ATOM 0 HA3 GLY A 97 3.743 4.552 4.320 1.00 0.00 H new ATOM 1454 N ALA A 98 6.468 4.019 3.858 1.00 0.00 N ATOM 1455 CA ALA A 98 7.680 3.214 3.936 1.00 0.00 C ATOM 1456 C ALA A 98 8.156 3.090 5.377 1.00 0.00 C ATOM 1457 O ALA A 98 7.709 3.829 6.255 1.00 0.00 O ATOM 1458 CB ALA A 98 8.772 3.814 3.064 1.00 0.00 C ATOM 0 H ALA A 98 6.562 4.959 4.242 1.00 0.00 H new ATOM 0 HA ALA A 98 7.450 2.214 3.567 1.00 0.00 H new ATOM 0 HB1 ALA A 98 9.671 3.201 3.133 1.00 0.00 H new ATOM 0 HB2 ALA A 98 8.434 3.847 2.028 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.995 4.825 3.405 1.00 0.00 H new ATOM 1464 N GLY A 99 9.063 2.150 5.616 1.00 0.00 N ATOM 1465 CA GLY A 99 9.580 1.945 6.955 1.00 0.00 C ATOM 1466 C GLY A 99 10.899 2.654 7.187 1.00 0.00 C ATOM 1467 O GLY A 99 11.422 3.315 6.293 1.00 0.00 O ATOM 0 H GLY A 99 9.449 1.527 4.907 1.00 0.00 H new ATOM 0 HA2 GLY A 99 8.849 2.300 7.681 1.00 0.00 H new ATOM 0 HA3 GLY A 99 9.710 0.877 7.130 1.00 0.00 H new ATOM 1471 N GLU A 100 11.432 2.525 8.398 1.00 0.00 N ATOM 1472 CA GLU A 100 12.693 3.158 8.753 1.00 0.00 C ATOM 1473 C GLU A 100 13.040 2.887 10.214 1.00 0.00 C ATOM 1474 O GLU A 100 12.298 3.267 11.120 1.00 0.00 O ATOM 1475 CB GLU A 100 12.602 4.658 8.502 1.00 0.00 C ATOM 1476 CG GLU A 100 13.430 5.129 7.318 1.00 0.00 C ATOM 1477 CD GLU A 100 14.879 5.381 7.682 1.00 0.00 C ATOM 1478 OE1 GLU A 100 15.162 6.430 8.299 1.00 0.00 O ATOM 1479 OE2 GLU A 100 15.732 4.531 7.351 1.00 0.00 O ATOM 0 H GLU A 100 11.006 1.985 9.151 1.00 0.00 H new ATOM 0 HA GLU A 100 13.484 2.737 8.132 1.00 0.00 H new ATOM 0 HB2 GLU A 100 11.559 4.927 8.335 1.00 0.00 H new ATOM 0 HB3 GLU A 100 12.929 5.188 9.397 1.00 0.00 H new ATOM 0 HG2 GLU A 100 13.383 4.381 6.526 1.00 0.00 H new ATOM 0 HG3 GLU A 100 12.996 6.045 6.917 1.00 0.00 H new ATOM 1486 N GLY A 101 14.168 2.221 10.435 1.00 0.00 N ATOM 1487 CA GLY A 101 14.592 1.903 11.782 1.00 0.00 C ATOM 1488 C GLY A 101 13.619 0.990 12.505 1.00 0.00 C ATOM 1489 O GLY A 101 13.689 0.841 13.725 1.00 0.00 O ATOM 0 H GLY A 101 14.797 1.895 9.701 1.00 0.00 H new ATOM 0 HA2 GLY A 101 15.572 1.427 11.747 1.00 0.00 H new ATOM 0 HA3 GLY A 101 14.707 2.827 12.349 1.00 0.00 H new ATOM 1493 N GLY A 102 12.707 0.377 11.754 1.00 0.00 N ATOM 1494 CA GLY A 102 11.731 -0.514 12.351 1.00 0.00 C ATOM 1495 C GLY A 102 10.347 0.103 12.424 1.00 0.00 C ATOM 1496 O GLY A 102 9.367 -0.588 12.702 1.00 0.00 O ATOM 0 H GLY A 102 12.628 0.483 10.743 1.00 0.00 H new ATOM 0 HA2 GLY A 102 11.684 -1.436 11.772 1.00 0.00 H new ATOM 0 HA3 GLY A 102 12.058 -0.785 13.355 1.00 0.00 H new ATOM 1500 N THR A 103 10.267 1.408 12.180 1.00 0.00 N ATOM 1501 CA THR A 103 9.003 2.119 12.224 1.00 0.00 C ATOM 1502 C THR A 103 8.529 2.457 10.811 1.00 0.00 C ATOM 1503 O THR A 103 9.191 2.120 9.830 1.00 0.00 O ATOM 1504 CB THR A 103 9.187 3.394 13.039 1.00 0.00 C ATOM 1505 OG1 THR A 103 9.962 3.137 14.197 1.00 0.00 O ATOM 1506 CG2 THR A 103 7.890 4.031 13.490 1.00 0.00 C ATOM 0 H THR A 103 11.070 1.993 11.949 1.00 0.00 H new ATOM 0 HA THR A 103 8.246 1.489 12.691 1.00 0.00 H new ATOM 0 HB THR A 103 9.688 4.088 12.364 1.00 0.00 H new ATOM 0 HG1 THR A 103 10.072 3.966 14.708 1.00 0.00 H new ATOM 0 HG21 THR A 103 8.107 4.932 14.063 1.00 0.00 H new ATOM 0 HG22 THR A 103 7.290 4.292 12.618 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.337 3.329 14.114 1.00 0.00 H new ATOM 1514 N TRP A 104 7.385 3.125 10.714 1.00 0.00 N ATOM 1515 CA TRP A 104 6.827 3.511 9.422 1.00 0.00 C ATOM 1516 C TRP A 104 6.294 4.939 9.471 1.00 0.00 C ATOM 1517 O TRP A 104 5.114 5.161 9.742 1.00 0.00 O ATOM 1518 CB TRP A 104 5.705 2.553 9.015 1.00 0.00 C ATOM 1519 CG TRP A 104 6.187 1.181 8.651 1.00 0.00 C ATOM 1520 CD1 TRP A 104 6.619 0.210 9.509 1.00 0.00 C ATOM 1521 CD2 TRP A 104 6.282 0.625 7.333 1.00 0.00 C ATOM 1522 NE1 TRP A 104 6.977 -0.915 8.806 1.00 0.00 N ATOM 1523 CE2 TRP A 104 6.779 -0.685 7.469 1.00 0.00 C ATOM 1524 CE3 TRP A 104 5.995 1.107 6.052 1.00 0.00 C ATOM 1525 CZ2 TRP A 104 6.994 -1.518 6.374 1.00 0.00 C ATOM 1526 CZ3 TRP A 104 6.210 0.279 4.965 1.00 0.00 C ATOM 1527 CH2 TRP A 104 6.704 -1.021 5.133 1.00 0.00 C ATOM 0 H TRP A 104 6.824 3.411 11.516 1.00 0.00 H new ATOM 0 HA TRP A 104 7.624 3.459 8.680 1.00 0.00 H new ATOM 0 HB2 TRP A 104 4.992 2.472 9.836 1.00 0.00 H new ATOM 0 HB3 TRP A 104 5.167 2.977 8.167 1.00 0.00 H new ATOM 0 HD1 TRP A 104 6.672 0.312 10.583 1.00 0.00 H new ATOM 0 HE1 TRP A 104 7.332 -1.780 9.213 1.00 0.00 H new ATOM 0 HE3 TRP A 104 5.612 2.107 5.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 7.376 -2.520 6.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 5.993 0.641 3.971 1.00 0.00 H new ATOM 0 HH2 TRP A 104 6.859 -1.644 4.265 1.00 0.00 H new ATOM 1538 N ASP A 105 7.169 5.905 9.210 1.00 0.00 N ATOM 1539 CA ASP A 105 6.782 7.312 9.229 1.00 0.00 C ATOM 1540 C ASP A 105 6.967 7.965 7.860 1.00 0.00 C ATOM 1541 O ASP A 105 6.870 9.185 7.728 1.00 0.00 O ATOM 1542 CB ASP A 105 7.591 8.064 10.278 1.00 0.00 C ATOM 1543 CG ASP A 105 7.169 9.514 10.410 1.00 0.00 C ATOM 1544 OD1 ASP A 105 6.035 9.763 10.870 1.00 0.00 O ATOM 1545 OD2 ASP A 105 7.974 10.401 10.055 1.00 0.00 O ATOM 0 H ASP A 105 8.150 5.740 8.983 1.00 0.00 H new ATOM 0 HA ASP A 105 5.723 7.362 9.483 1.00 0.00 H new ATOM 0 HB2 ASP A 105 7.480 7.568 11.242 1.00 0.00 H new ATOM 0 HB3 ASP A 105 8.648 8.019 10.017 1.00 0.00 H new ATOM 1550 N SER A 106 7.232 7.151 6.840 1.00 0.00 N ATOM 1551 CA SER A 106 7.426 7.661 5.491 1.00 0.00 C ATOM 1552 C SER A 106 6.146 7.529 4.674 1.00 0.00 C ATOM 1553 O SER A 106 6.107 6.835 3.657 1.00 0.00 O ATOM 1554 CB SER A 106 8.563 6.909 4.811 1.00 0.00 C ATOM 1555 OG SER A 106 9.720 7.719 4.700 1.00 0.00 O ATOM 0 H SER A 106 7.316 6.138 6.925 1.00 0.00 H new ATOM 0 HA SER A 106 7.684 8.718 5.554 1.00 0.00 H new ATOM 0 HB2 SER A 106 8.799 6.010 5.380 1.00 0.00 H new ATOM 0 HB3 SER A 106 8.246 6.585 3.820 1.00 0.00 H new ATOM 0 HG SER A 106 10.474 7.172 4.397 1.00 0.00 H new ATOM 1561 N TRP A 107 5.104 8.199 5.134 1.00 0.00 N ATOM 1562 CA TRP A 107 3.809 8.170 4.463 1.00 0.00 C ATOM 1563 C TRP A 107 3.861 8.920 3.137 1.00 0.00 C ATOM 1564 O TRP A 107 4.799 9.671 2.872 1.00 0.00 O ATOM 1565 CB TRP A 107 2.732 8.780 5.362 1.00 0.00 C ATOM 1566 CG TRP A 107 2.768 8.263 6.767 1.00 0.00 C ATOM 1567 CD1 TRP A 107 3.110 8.961 7.890 1.00 0.00 C ATOM 1568 CD2 TRP A 107 2.452 6.935 7.200 1.00 0.00 C ATOM 1569 NE1 TRP A 107 3.023 8.148 8.995 1.00 0.00 N ATOM 1570 CE2 TRP A 107 2.622 6.900 8.597 1.00 0.00 C ATOM 1571 CE3 TRP A 107 2.041 5.773 6.542 1.00 0.00 C ATOM 1572 CZ2 TRP A 107 2.394 5.748 9.346 1.00 0.00 C ATOM 1573 CZ3 TRP A 107 1.816 4.630 7.286 1.00 0.00 C ATOM 1574 CH2 TRP A 107 1.993 4.625 8.675 1.00 0.00 C ATOM 0 H TRP A 107 5.127 8.775 5.976 1.00 0.00 H new ATOM 0 HA TRP A 107 3.560 7.128 4.260 1.00 0.00 H new ATOM 0 HB2 TRP A 107 2.853 9.863 5.378 1.00 0.00 H new ATOM 0 HB3 TRP A 107 1.751 8.575 4.932 1.00 0.00 H new ATOM 0 HD1 TRP A 107 3.406 10.000 7.907 1.00 0.00 H new ATOM 0 HE1 TRP A 107 3.224 8.428 9.955 1.00 0.00 H new ATOM 0 HE3 TRP A 107 1.902 5.768 5.471 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 2.529 5.741 10.418 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 1.498 3.726 6.788 1.00 0.00 H new ATOM 0 HH2 TRP A 107 1.809 3.716 9.228 1.00 0.00 H new ATOM 1585 N GLY A 108 2.844 8.710 2.307 1.00 0.00 N ATOM 1586 CA GLY A 108 2.788 9.371 1.016 1.00 0.00 C ATOM 1587 C GLY A 108 1.687 10.411 0.942 1.00 0.00 C ATOM 1588 O GLY A 108 1.434 11.127 1.911 1.00 0.00 O ATOM 0 H GLY A 108 2.057 8.093 2.506 1.00 0.00 H new ATOM 0 HA2 GLY A 108 3.747 9.847 0.814 1.00 0.00 H new ATOM 0 HA3 GLY A 108 2.632 8.625 0.236 1.00 0.00 H new ATOM 1592 N GLN A 109 1.032 10.496 -0.212 1.00 0.00 N ATOM 1593 CA GLN A 109 -0.047 11.457 -0.410 1.00 0.00 C ATOM 1594 C GLN A 109 -1.392 10.858 -0.013 1.00 0.00 C ATOM 1595 O GLN A 109 -2.167 11.477 0.716 1.00 0.00 O ATOM 1596 CB GLN A 109 -0.091 11.912 -1.870 1.00 0.00 C ATOM 1597 CG GLN A 109 -1.175 12.939 -2.156 1.00 0.00 C ATOM 1598 CD GLN A 109 -0.874 14.292 -1.543 1.00 0.00 C ATOM 1599 OE1 GLN A 109 -0.456 14.385 -0.389 1.00 0.00 O ATOM 1600 NE2 GLN A 109 -1.088 15.352 -2.314 1.00 0.00 N ATOM 0 H GLN A 109 1.230 9.911 -1.024 1.00 0.00 H new ATOM 0 HA GLN A 109 0.148 12.319 0.228 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.877 12.334 -2.140 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -0.249 11.042 -2.508 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -1.289 13.050 -3.234 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -2.127 12.574 -1.771 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -1.435 15.229 -3.265 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -0.905 16.289 -1.955 1.00 0.00 H new ATOM 1609 N GLY A 110 -1.662 9.650 -0.496 1.00 0.00 N ATOM 1610 CA GLY A 110 -2.913 8.988 -0.179 1.00 0.00 C ATOM 1611 C GLY A 110 -3.833 8.867 -1.378 1.00 0.00 C ATOM 1612 O GLY A 110 -3.793 9.694 -2.288 1.00 0.00 O ATOM 0 H GLY A 110 -1.037 9.118 -1.101 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -2.703 7.993 0.214 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -3.422 9.542 0.610 1.00 0.00 H new ATOM 1616 N THR A 111 -4.669 7.834 -1.371 1.00 0.00 N ATOM 1617 CA THR A 111 -5.614 7.601 -2.456 1.00 0.00 C ATOM 1618 C THR A 111 -6.817 6.821 -1.939 1.00 0.00 C ATOM 1619 O THR A 111 -6.693 5.664 -1.541 1.00 0.00 O ATOM 1620 CB THR A 111 -4.938 6.848 -3.609 1.00 0.00 C ATOM 1621 OG1 THR A 111 -5.763 6.851 -4.760 1.00 0.00 O ATOM 1622 CG2 THR A 111 -4.610 5.405 -3.285 1.00 0.00 C ATOM 0 H THR A 111 -4.711 7.142 -0.622 1.00 0.00 H new ATOM 0 HA THR A 111 -5.956 8.564 -2.835 1.00 0.00 H new ATOM 0 HB THR A 111 -4.003 7.380 -3.786 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.213 7.003 -5.557 1.00 0.00 H new ATOM 0 HG21 THR A 111 -4.134 4.938 -4.147 1.00 0.00 H new ATOM 0 HG22 THR A 111 -3.932 5.369 -2.432 1.00 0.00 H new ATOM 0 HG23 THR A 111 -5.527 4.869 -3.042 1.00 0.00 H new ATOM 1630 N GLN A 112 -7.979 7.463 -1.929 1.00 0.00 N ATOM 1631 CA GLN A 112 -9.187 6.833 -1.443 1.00 0.00 C ATOM 1632 C GLN A 112 -9.721 5.815 -2.444 1.00 0.00 C ATOM 1633 O GLN A 112 -9.673 6.029 -3.655 1.00 0.00 O ATOM 1634 CB GLN A 112 -10.235 7.906 -1.155 1.00 0.00 C ATOM 1635 CG GLN A 112 -10.887 7.777 0.214 1.00 0.00 C ATOM 1636 CD GLN A 112 -12.302 7.237 0.153 1.00 0.00 C ATOM 1637 OE1 GLN A 112 -12.541 6.301 -0.755 1.00 0.00 O flip ATOM 1638 NE2 GLN A 112 -13.172 7.657 0.916 1.00 0.00 N flip ATOM 0 H GLN A 112 -8.104 8.422 -2.254 1.00 0.00 H new ATOM 0 HA GLN A 112 -8.957 6.295 -0.523 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -9.767 8.887 -1.233 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -11.009 7.860 -1.921 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -10.281 7.120 0.837 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -10.898 8.754 0.697 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -12.945 8.378 1.600 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -14.120 7.283 0.864 1.00 0.00 H new ATOM 1647 N VAL A 113 -10.237 4.708 -1.920 1.00 0.00 N ATOM 1648 CA VAL A 113 -10.792 3.652 -2.743 1.00 0.00 C ATOM 1649 C VAL A 113 -12.291 3.528 -2.493 1.00 0.00 C ATOM 1650 O VAL A 113 -12.716 3.236 -1.375 1.00 0.00 O ATOM 1651 CB VAL A 113 -10.102 2.310 -2.434 1.00 0.00 C ATOM 1652 CG1 VAL A 113 -10.834 1.148 -3.094 1.00 0.00 C ATOM 1653 CG2 VAL A 113 -8.646 2.347 -2.873 1.00 0.00 C ATOM 0 H VAL A 113 -10.280 4.523 -0.918 1.00 0.00 H new ATOM 0 HA VAL A 113 -10.621 3.903 -3.790 1.00 0.00 H new ATOM 0 HB VAL A 113 -10.136 2.155 -1.356 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -10.323 0.215 -2.857 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -11.858 1.105 -2.723 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.845 1.292 -4.174 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -8.174 1.391 -2.647 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -8.594 2.533 -3.946 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -8.126 3.143 -2.341 1.00 0.00 H new ATOM 1663 N THR A 114 -13.084 3.762 -3.532 1.00 0.00 N ATOM 1664 CA THR A 114 -14.535 3.684 -3.417 1.00 0.00 C ATOM 1665 C THR A 114 -15.050 2.324 -3.878 1.00 0.00 C ATOM 1666 O THR A 114 -14.866 1.938 -5.031 1.00 0.00 O ATOM 1667 CB THR A 114 -15.192 4.797 -4.237 1.00 0.00 C ATOM 1668 OG1 THR A 114 -14.737 6.068 -3.809 1.00 0.00 O ATOM 1669 CG2 THR A 114 -16.703 4.796 -4.148 1.00 0.00 C ATOM 0 H THR A 114 -12.747 4.007 -4.463 1.00 0.00 H new ATOM 0 HA THR A 114 -14.797 3.811 -2.367 1.00 0.00 H new ATOM 0 HB THR A 114 -14.906 4.601 -5.271 1.00 0.00 H new ATOM 0 HG1 THR A 114 -15.166 6.767 -4.345 1.00 0.00 H new ATOM 0 HG21 THR A 114 -17.104 5.610 -4.752 1.00 0.00 H new ATOM 0 HG22 THR A 114 -17.089 3.846 -4.518 1.00 0.00 H new ATOM 0 HG23 THR A 114 -17.006 4.932 -3.110 1.00 0.00 H new ATOM 1677 N VAL A 115 -15.699 1.604 -2.969 1.00 0.00 N ATOM 1678 CA VAL A 115 -16.244 0.291 -3.281 1.00 0.00 C ATOM 1679 C VAL A 115 -17.769 0.338 -3.296 1.00 0.00 C ATOM 1680 O VAL A 115 -18.364 1.416 -3.291 1.00 0.00 O ATOM 1681 CB VAL A 115 -15.772 -0.780 -2.269 1.00 0.00 C ATOM 1682 CG1 VAL A 115 -15.577 -2.122 -2.962 1.00 0.00 C ATOM 1683 CG2 VAL A 115 -14.488 -0.347 -1.573 1.00 0.00 C ATOM 0 H VAL A 115 -15.860 1.910 -2.009 1.00 0.00 H new ATOM 0 HA VAL A 115 -15.876 0.014 -4.269 1.00 0.00 H new ATOM 0 HB VAL A 115 -16.547 -0.891 -1.510 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -15.245 -2.862 -2.234 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -16.520 -2.444 -3.403 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -14.826 -2.021 -3.745 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -14.179 -1.118 -0.867 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -13.704 -0.199 -2.315 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -14.661 0.586 -1.037 1.00 0.00 H new ATOM 1693 N SER A 116 -18.398 -0.830 -3.315 1.00 0.00 N ATOM 1694 CA SER A 116 -19.854 -0.914 -3.332 1.00 0.00 C ATOM 1695 C SER A 116 -20.316 -2.367 -3.262 1.00 0.00 C ATOM 1696 O SER A 116 -19.529 -3.265 -2.965 1.00 0.00 O ATOM 1697 CB SER A 116 -20.408 -0.250 -4.595 1.00 0.00 C ATOM 1698 OG SER A 116 -20.178 -1.055 -5.738 1.00 0.00 O ATOM 0 H SER A 116 -17.923 -1.733 -3.319 1.00 0.00 H new ATOM 0 HA SER A 116 -20.235 -0.388 -2.456 1.00 0.00 H new ATOM 0 HB2 SER A 116 -21.478 -0.076 -4.479 1.00 0.00 H new ATOM 0 HB3 SER A 116 -19.939 0.724 -4.733 1.00 0.00 H new ATOM 0 HG SER A 116 -20.543 -0.609 -6.531 1.00 0.00 H new ATOM 1704 N SER A 117 -21.597 -2.589 -3.538 1.00 0.00 N ATOM 1705 CA SER A 117 -22.164 -3.932 -3.507 1.00 0.00 C ATOM 1706 C SER A 117 -23.476 -3.986 -4.284 1.00 0.00 C ATOM 1707 O SER A 117 -23.639 -4.914 -5.104 1.00 0.00 O ATOM 1708 CB SER A 117 -22.393 -4.377 -2.061 1.00 0.00 C ATOM 1709 OG SER A 117 -21.937 -5.704 -1.858 1.00 0.00 O ATOM 1710 OXT SER A 117 -24.330 -3.101 -4.065 1.00 0.00 O ATOM 0 H SER A 117 -22.262 -1.856 -3.786 1.00 0.00 H new ATOM 0 HA SER A 117 -21.455 -4.611 -3.980 1.00 0.00 H new ATOM 0 HB2 SER A 117 -21.872 -3.702 -1.382 1.00 0.00 H new ATOM 0 HB3 SER A 117 -23.454 -4.313 -1.821 1.00 0.00 H new ATOM 0 HG SER A 117 -22.093 -5.964 -0.926 1.00 0.00 H new TER 1716 SER A 117