USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 982 hydrogens (32 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 NoAdj-H: A 53 HIS HE2 : A 53 HIS NE2 : A 125 HECFE :(H bumps) USER MOD NoAdj-H: A 95 HIS HE2 : A 95 HIS NE2 : A 125 HECFE :(H bumps) USER MOD NoAdj-H: A 125 HEC HAC : A 125 HEC CAC : A 52 CYS SG :(H bumps) USER MOD NoAdj-H: A 125 HEC HAB : A 125 HEC CAB : A 49 CYS SG :(H bumps) USER MOD Set 1.1: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 56 ASN : amide:sc= -0.596 K(o=-0.6,f=-2) USER MOD Set 2.1: A 41 THR OG1 : rot -104:sc= 0.847 USER MOD Set 2.2: A 43 SER OG : rot 61:sc= 1.14 USER MOD Single : A 1 ASP N :NH3+ -175:sc= 0.0171 (180deg=-0.149) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -5.2! C(o=-5.2!,f=-3.6!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 99:sc= 0.994 USER MOD Single : A 14 ASN : amide:sc= -0.0206 X(o=-0.021,f=-0.13) USER MOD Single : A 17 HIS : no HE2:sc= -0.756 K(o=-0.76,f=-1.3) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.308 X(o=-0.31,f=-0.076) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 165:sc= -0.701 USER MOD Single : A 27 SER OG : rot 180:sc= -0.299 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -2.2! C(o=-2.2!,f=-3.1!) USER MOD Single : A 38 LYS NZ :NH3+ 162:sc= -0.148 (180deg=-0.648) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot -99:sc= -3.54! USER MOD Single : A 54 THR OG1 : rot 46:sc= -1.43! USER MOD Single : A 55 ASN : amide:sc= -0.384 K(o=-0.38,f=-1.4) USER MOD Single : A 59 ASN : amide:sc= 0.664 K(o=0.66,f=-6.4!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -8.86! C(o=-8.9!,f=-12!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.00068 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.741! C(o=-0.74!,f=-7.8!) USER MOD Single : A 79 THR OG1 : rot -102:sc= 0.0777 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 173:sc= 1.01 (180deg=0.967) USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.0645 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -1.09 K(o=-1.1,f=-2.2!) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot -103:sc= 1.8 USER MOD Single : A 109 LYS NZ :NH3+ -164:sc= 0.0656 (180deg=-0.0239) USER MOD Single : A 111 ASN : amide:sc= -11.2! C(o=-11!,f=-13!) USER MOD Single : A 115 TYR OH : rot 180:sc= -0.1 USER MOD Single : A 118 THR OG1 : rot 87:sc= 1.08 USER MOD Single : A 120 THR OG1 : rot 180:sc= -0.0193 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 HEC O2A : rot 180:sc= -0.0174 USER MOD Single : A 125 HEC O2D : rot -110:sc= -2.67! USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -8.913 0.991 16.073 1.00 0.00 N ATOM 2 CA ASP A 1 -8.165 0.991 14.827 1.00 0.00 C ATOM 3 C ASP A 1 -6.810 0.317 15.052 1.00 0.00 C ATOM 4 O ASP A 1 -6.380 0.142 16.191 1.00 0.00 O ATOM 5 CB ASP A 1 -7.908 2.418 14.339 1.00 0.00 C ATOM 6 CG ASP A 1 -8.987 3.435 14.718 1.00 0.00 C ATOM 7 OD1 ASP A 1 -10.173 3.119 14.481 1.00 0.00 O ATOM 8 OD2 ASP A 1 -8.601 4.505 15.235 1.00 0.00 O ATOM 0 H1 ASP A 1 -9.866 1.371 15.906 1.00 0.00 H new ATOM 0 H2 ASP A 1 -8.986 0.018 16.434 1.00 0.00 H new ATOM 0 H3 ASP A 1 -8.422 1.584 16.773 1.00 0.00 H new ATOM 0 HA ASP A 1 -8.752 0.455 14.081 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -6.953 2.757 14.741 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -7.810 2.403 13.254 1.00 0.00 H new ATOM 15 N VAL A 2 -6.174 -0.043 13.946 1.00 0.00 N ATOM 16 CA VAL A 2 -4.876 -0.693 14.008 1.00 0.00 C ATOM 17 C VAL A 2 -5.074 -2.204 14.150 1.00 0.00 C ATOM 18 O VAL A 2 -4.366 -2.988 13.520 1.00 0.00 O ATOM 19 CB VAL A 2 -4.042 -0.090 15.140 1.00 0.00 C ATOM 20 CG1 VAL A 2 -2.557 -0.416 14.961 1.00 0.00 C ATOM 21 CG2 VAL A 2 -4.263 1.420 15.240 1.00 0.00 C ATOM 0 H VAL A 2 -6.533 0.103 13.003 1.00 0.00 H new ATOM 0 HA VAL A 2 -4.319 -0.523 13.087 1.00 0.00 H new ATOM 0 HB VAL A 2 -4.374 -0.540 16.076 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -1.987 0.024 15.779 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -2.419 -1.497 14.963 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.206 -0.007 14.013 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.658 1.823 16.052 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.972 1.893 14.302 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -5.316 1.621 15.437 1.00 0.00 H new ATOM 31 N THR A 3 -6.039 -2.566 14.982 1.00 0.00 N ATOM 32 CA THR A 3 -6.339 -3.969 15.215 1.00 0.00 C ATOM 33 C THR A 3 -6.201 -4.766 13.916 1.00 0.00 C ATOM 34 O THR A 3 -5.613 -5.847 13.907 1.00 0.00 O ATOM 35 CB THR A 3 -7.734 -4.057 15.836 1.00 0.00 C ATOM 36 OG1 THR A 3 -7.563 -3.530 17.149 1.00 0.00 O ATOM 37 CG2 THR A 3 -8.181 -5.502 16.069 1.00 0.00 C ATOM 0 H THR A 3 -6.623 -1.912 15.503 1.00 0.00 H new ATOM 0 HA THR A 3 -5.629 -4.415 15.911 1.00 0.00 H new ATOM 0 HB THR A 3 -8.452 -3.555 15.188 1.00 0.00 H new ATOM 0 HG1 THR A 3 -8.421 -3.548 17.623 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.177 -5.508 16.511 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.203 -6.034 15.118 1.00 0.00 H new ATOM 0 HG23 THR A 3 -7.482 -5.995 16.744 1.00 0.00 H new ATOM 45 N ASN A 4 -6.752 -4.202 12.851 1.00 0.00 N ATOM 46 CA ASN A 4 -6.698 -4.848 11.551 1.00 0.00 C ATOM 47 C ASN A 4 -5.309 -4.643 10.943 1.00 0.00 C ATOM 48 O ASN A 4 -4.689 -5.594 10.469 1.00 0.00 O ATOM 49 CB ASN A 4 -7.726 -4.243 10.593 1.00 0.00 C ATOM 50 CG ASN A 4 -8.952 -3.735 11.354 1.00 0.00 C ATOM 51 OD1 ASN A 4 -9.568 -2.743 11.000 1.00 0.00 O ATOM 52 ND2 ASN A 4 -9.271 -4.467 12.417 1.00 0.00 N ATOM 0 H ASN A 4 -7.238 -3.305 12.862 1.00 0.00 H new ATOM 0 HA ASN A 4 -6.914 -5.907 11.691 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.272 -3.422 10.038 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -8.032 -4.991 9.862 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -10.074 -4.209 12.991 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -8.713 -5.286 12.658 1.00 0.00 H new ATOM 59 N ALA A 5 -4.860 -3.397 10.977 1.00 0.00 N ATOM 60 CA ALA A 5 -3.556 -3.056 10.435 1.00 0.00 C ATOM 61 C ALA A 5 -2.509 -4.023 10.991 1.00 0.00 C ATOM 62 O ALA A 5 -1.711 -4.580 10.238 1.00 0.00 O ATOM 63 CB ALA A 5 -3.233 -1.596 10.761 1.00 0.00 C ATOM 0 H ALA A 5 -5.376 -2.611 11.372 1.00 0.00 H new ATOM 0 HA ALA A 5 -3.554 -3.156 9.350 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.255 -1.340 10.354 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -3.990 -0.948 10.319 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.224 -1.458 11.842 1.00 0.00 H new ATOM 69 N GLU A 6 -2.545 -4.192 12.305 1.00 0.00 N ATOM 70 CA GLU A 6 -1.609 -5.082 12.971 1.00 0.00 C ATOM 71 C GLU A 6 -1.838 -6.527 12.521 1.00 0.00 C ATOM 72 O GLU A 6 -0.892 -7.306 12.417 1.00 0.00 O ATOM 73 CB GLU A 6 -1.720 -4.957 14.491 1.00 0.00 C ATOM 74 CG GLU A 6 -1.019 -6.123 15.191 1.00 0.00 C ATOM 75 CD GLU A 6 0.447 -6.218 14.762 1.00 0.00 C ATOM 76 OE1 GLU A 6 1.066 -5.142 14.616 1.00 0.00 O ATOM 77 OE2 GLU A 6 0.915 -7.364 14.591 1.00 0.00 O ATOM 0 H GLU A 6 -3.208 -3.728 12.926 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.597 -4.790 12.689 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.278 -4.015 14.815 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.770 -4.932 14.781 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -1.078 -5.992 16.271 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.532 -7.055 14.955 1.00 0.00 H new ATOM 84 N LYS A 7 -3.100 -6.840 12.267 1.00 0.00 N ATOM 85 CA LYS A 7 -3.466 -8.177 11.832 1.00 0.00 C ATOM 86 C LYS A 7 -2.824 -8.459 10.472 1.00 0.00 C ATOM 87 O LYS A 7 -2.192 -9.498 10.283 1.00 0.00 O ATOM 88 CB LYS A 7 -4.987 -8.346 11.840 1.00 0.00 C ATOM 89 CG LYS A 7 -5.374 -9.824 11.750 1.00 0.00 C ATOM 90 CD LYS A 7 -5.562 -10.427 13.144 1.00 0.00 C ATOM 91 CE LYS A 7 -6.883 -11.195 13.235 1.00 0.00 C ATOM 92 NZ LYS A 7 -6.636 -12.654 13.203 1.00 0.00 N ATOM 0 H LYS A 7 -3.882 -6.191 12.354 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.082 -8.923 12.528 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.400 -7.913 12.751 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.422 -7.801 11.002 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.296 -9.928 11.177 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.601 -10.374 11.213 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.732 -11.096 13.370 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.545 -9.635 13.892 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.403 -10.928 14.155 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.533 -10.912 12.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.542 -13.161 13.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.159 -12.906 12.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.033 -12.922 14.007 1.00 0.00 H new ATOM 106 N LEU A 8 -3.007 -7.516 9.559 1.00 0.00 N ATOM 107 CA LEU A 8 -2.453 -7.650 8.223 1.00 0.00 C ATOM 108 C LEU A 8 -0.960 -7.970 8.324 1.00 0.00 C ATOM 109 O LEU A 8 -0.486 -8.932 7.722 1.00 0.00 O ATOM 110 CB LEU A 8 -2.760 -6.405 7.388 1.00 0.00 C ATOM 111 CG LEU A 8 -4.226 -6.202 7.001 1.00 0.00 C ATOM 112 CD1 LEU A 8 -4.351 -5.268 5.796 1.00 0.00 C ATOM 113 CD2 LEU A 8 -4.920 -7.544 6.759 1.00 0.00 C ATOM 0 H LEU A 8 -3.531 -6.656 9.719 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.923 -8.482 7.698 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.427 -5.528 7.943 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.166 -6.449 6.475 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.736 -5.721 7.836 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.403 -5.141 5.542 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.917 -4.298 6.041 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.822 -5.698 4.946 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.961 -7.371 6.485 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.416 -8.074 5.951 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.879 -8.144 7.668 1.00 0.00 H new ATOM 125 N VAL A 9 -0.261 -7.145 9.089 1.00 0.00 N ATOM 126 CA VAL A 9 1.168 -7.328 9.277 1.00 0.00 C ATOM 127 C VAL A 9 1.437 -8.758 9.750 1.00 0.00 C ATOM 128 O VAL A 9 2.257 -9.486 9.194 1.00 0.00 O ATOM 129 CB VAL A 9 1.709 -6.268 10.239 1.00 0.00 C ATOM 130 CG1 VAL A 9 3.198 -6.489 10.516 1.00 0.00 C ATOM 131 CG2 VAL A 9 1.455 -4.859 9.701 1.00 0.00 C ATOM 0 H VAL A 9 -0.658 -6.348 9.586 1.00 0.00 H new ATOM 0 HA VAL A 9 1.698 -7.193 8.334 1.00 0.00 H new ATOM 0 HB VAL A 9 1.174 -6.367 11.183 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.558 -5.723 11.202 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.343 -7.473 10.962 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.755 -6.429 9.581 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.849 -4.125 10.404 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.951 -4.742 8.738 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.383 -4.704 9.578 1.00 0.00 H new ATOM 141 N TYR A 10 0.717 -9.149 10.803 1.00 0.00 N ATOM 142 CA TYR A 10 0.855 -10.474 11.373 1.00 0.00 C ATOM 143 C TYR A 10 0.250 -11.506 10.433 1.00 0.00 C ATOM 144 O TYR A 10 0.392 -12.700 10.691 1.00 0.00 O ATOM 145 CB TYR A 10 0.169 -10.514 12.735 1.00 0.00 C ATOM 146 CG TYR A 10 0.790 -11.500 13.695 1.00 0.00 C ATOM 147 CD1 TYR A 10 1.832 -11.095 14.538 1.00 0.00 C ATOM 148 CD2 TYR A 10 0.326 -12.820 13.741 1.00 0.00 C ATOM 149 CE1 TYR A 10 2.408 -12.009 15.428 1.00 0.00 C ATOM 150 CE2 TYR A 10 0.902 -13.735 14.630 1.00 0.00 C ATOM 151 CZ TYR A 10 1.944 -13.329 15.474 1.00 0.00 C ATOM 152 OH TYR A 10 2.506 -14.221 16.340 1.00 0.00 O ATOM 0 H TYR A 10 0.032 -8.558 11.274 1.00 0.00 H new ATOM 0 HA TYR A 10 1.911 -10.709 11.506 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.201 -9.519 13.178 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -0.882 -10.767 12.596 1.00 0.00 H new ATOM 0 HD1 TYR A 10 2.191 -10.077 14.502 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.477 -13.133 13.090 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.211 -11.696 16.079 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.543 -14.753 14.665 1.00 0.00 H new ATOM 0 HH TYR A 10 2.066 -15.091 16.244 1.00 0.00 H new ATOM 162 N LYS A 11 -0.401 -11.038 9.378 1.00 0.00 N ATOM 163 CA LYS A 11 -1.016 -11.939 8.418 1.00 0.00 C ATOM 164 C LYS A 11 -0.063 -12.149 7.240 1.00 0.00 C ATOM 165 O LYS A 11 0.531 -13.210 7.062 1.00 0.00 O ATOM 166 CB LYS A 11 -2.397 -11.423 8.008 1.00 0.00 C ATOM 167 CG LYS A 11 -3.151 -12.470 7.185 1.00 0.00 C ATOM 168 CD LYS A 11 -3.740 -13.556 8.086 1.00 0.00 C ATOM 169 CE LYS A 11 -5.264 -13.610 7.955 1.00 0.00 C ATOM 170 NZ LYS A 11 -5.845 -14.461 9.018 1.00 0.00 N ATOM 0 H LYS A 11 -0.516 -10.047 9.167 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.187 -12.917 8.868 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.974 -11.170 8.898 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.289 -10.507 7.427 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.950 -11.988 6.621 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.476 -12.922 6.459 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.314 -14.524 7.821 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.467 -13.361 9.123 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.677 -12.603 8.021 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.537 -14.003 6.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.880 -14.487 8.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.464 -15.426 8.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.600 -14.069 9.949 1.00 0.00 H new ATOM 184 N TYR A 12 0.070 -11.099 6.428 1.00 0.00 N ATOM 185 CA TYR A 12 0.934 -11.138 5.265 1.00 0.00 C ATOM 186 C TYR A 12 2.315 -11.639 5.665 1.00 0.00 C ATOM 187 O TYR A 12 3.033 -12.150 4.807 1.00 0.00 O ATOM 188 CB TYR A 12 1.022 -9.744 4.651 1.00 0.00 C ATOM 189 CG TYR A 12 -0.257 -9.298 3.983 1.00 0.00 C ATOM 190 CD1 TYR A 12 -0.512 -9.651 2.653 1.00 0.00 C ATOM 191 CD2 TYR A 12 -1.188 -8.532 4.695 1.00 0.00 C ATOM 192 CE1 TYR A 12 -1.698 -9.239 2.034 1.00 0.00 C ATOM 193 CE2 TYR A 12 -2.374 -8.119 4.076 1.00 0.00 C ATOM 194 CZ TYR A 12 -2.629 -8.473 2.745 1.00 0.00 C ATOM 195 OH TYR A 12 -3.785 -8.071 2.142 1.00 0.00 O ATOM 0 H TYR A 12 -0.415 -10.212 6.562 1.00 0.00 H new ATOM 0 HA TYR A 12 0.522 -11.822 4.523 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.284 -9.028 5.430 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.829 -9.728 3.919 1.00 0.00 H new ATOM 0 HD1 TYR A 12 0.207 -10.242 2.104 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -0.991 -8.260 5.721 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -1.895 -9.512 1.008 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.092 -7.528 4.625 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.320 -7.549 2.776 1.00 0.00 H new ATOM 205 N THR A 13 2.656 -11.487 6.936 1.00 0.00 N ATOM 206 CA THR A 13 3.951 -11.931 7.422 1.00 0.00 C ATOM 207 C THR A 13 3.983 -13.456 7.537 1.00 0.00 C ATOM 208 O THR A 13 4.971 -14.090 7.169 1.00 0.00 O ATOM 209 CB THR A 13 4.232 -11.216 8.745 1.00 0.00 C ATOM 210 OG1 THR A 13 4.471 -9.863 8.364 1.00 0.00 O ATOM 211 CG2 THR A 13 5.548 -11.661 9.384 1.00 0.00 C ATOM 0 H THR A 13 2.058 -11.062 7.644 1.00 0.00 H new ATOM 0 HA THR A 13 4.745 -11.672 6.722 1.00 0.00 H new ATOM 0 HB THR A 13 3.412 -11.401 9.439 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.655 -9.336 8.498 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.698 -11.123 10.320 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.512 -12.732 9.583 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.373 -11.446 8.705 1.00 0.00 H new ATOM 219 N ASN A 14 2.890 -14.002 8.050 1.00 0.00 N ATOM 220 CA ASN A 14 2.780 -15.441 8.218 1.00 0.00 C ATOM 221 C ASN A 14 2.781 -16.113 6.844 1.00 0.00 C ATOM 222 O ASN A 14 3.569 -17.024 6.595 1.00 0.00 O ATOM 223 CB ASN A 14 1.477 -15.815 8.926 1.00 0.00 C ATOM 224 CG ASN A 14 1.757 -16.506 10.262 1.00 0.00 C ATOM 225 OD1 ASN A 14 2.578 -16.073 11.054 1.00 0.00 O ATOM 226 ND2 ASN A 14 1.031 -17.601 10.467 1.00 0.00 N ATOM 0 H ASN A 14 2.073 -13.473 8.355 1.00 0.00 H new ATOM 0 HA ASN A 14 3.626 -15.775 8.819 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.880 -14.919 9.094 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.889 -16.474 8.288 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.144 -18.134 11.329 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.361 -17.908 9.762 1.00 0.00 H new ATOM 233 N ILE A 15 1.890 -15.636 5.987 1.00 0.00 N ATOM 234 CA ILE A 15 1.778 -16.180 4.644 1.00 0.00 C ATOM 235 C ILE A 15 3.161 -16.198 3.989 1.00 0.00 C ATOM 236 O ILE A 15 3.592 -17.226 3.470 1.00 0.00 O ATOM 237 CB ILE A 15 0.727 -15.410 3.841 1.00 0.00 C ATOM 238 CG1 ILE A 15 -0.687 -15.858 4.218 1.00 0.00 C ATOM 239 CG2 ILE A 15 0.987 -15.535 2.338 1.00 0.00 C ATOM 240 CD1 ILE A 15 -1.615 -14.654 4.393 1.00 0.00 C ATOM 0 H ILE A 15 1.239 -14.879 6.196 1.00 0.00 H new ATOM 0 HA ILE A 15 1.428 -17.212 4.678 1.00 0.00 H new ATOM 0 HB ILE A 15 0.808 -14.353 4.095 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.082 -16.517 3.445 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.655 -16.435 5.142 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.226 -14.979 1.790 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.972 -15.130 2.104 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.948 -16.585 2.048 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.613 -15.000 4.661 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.230 -14.010 5.184 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.663 -14.093 3.460 1.00 0.00 H new ATOM 252 N ALA A 16 3.817 -15.048 4.035 1.00 0.00 N ATOM 253 CA ALA A 16 5.142 -14.918 3.452 1.00 0.00 C ATOM 254 C ALA A 16 6.062 -15.986 4.048 1.00 0.00 C ATOM 255 O ALA A 16 6.655 -16.777 3.316 1.00 0.00 O ATOM 256 CB ALA A 16 5.666 -13.500 3.685 1.00 0.00 C ATOM 0 H ALA A 16 3.456 -14.198 4.467 1.00 0.00 H new ATOM 0 HA ALA A 16 5.105 -15.078 2.374 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.660 -13.403 3.248 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.992 -12.782 3.218 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.720 -13.303 4.756 1.00 0.00 H new ATOM 262 N HIS A 17 6.153 -15.973 5.369 1.00 0.00 N ATOM 263 CA HIS A 17 6.991 -16.930 6.071 1.00 0.00 C ATOM 264 C HIS A 17 6.609 -18.351 5.653 1.00 0.00 C ATOM 265 O HIS A 17 7.462 -19.235 5.593 1.00 0.00 O ATOM 266 CB HIS A 17 6.911 -16.715 7.584 1.00 0.00 C ATOM 267 CG HIS A 17 7.715 -17.708 8.389 1.00 0.00 C ATOM 268 ND1 HIS A 17 9.094 -17.647 8.494 1.00 0.00 N ATOM 269 CD2 HIS A 17 7.320 -18.786 9.125 1.00 0.00 C ATOM 270 CE1 HIS A 17 9.499 -18.649 9.261 1.00 0.00 C ATOM 271 NE2 HIS A 17 8.398 -19.354 9.651 1.00 0.00 N ATOM 0 H HIS A 17 5.660 -15.315 5.972 1.00 0.00 H new ATOM 0 HA HIS A 17 8.034 -16.776 5.795 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.258 -15.708 7.816 1.00 0.00 H new ATOM 0 HB3 HIS A 17 5.868 -16.772 7.894 1.00 0.00 H new ATOM 0 HD1 HIS A 17 9.696 -16.950 8.056 1.00 0.00 H new ATOM 0 HD2 HIS A 17 6.302 -19.121 9.257 1.00 0.00 H new ATOM 0 HE1 HIS A 17 10.522 -18.869 9.530 1.00 0.00 H new ATOM 279 N SER A 18 5.325 -18.526 5.376 1.00 0.00 N ATOM 280 CA SER A 18 4.819 -19.825 4.965 1.00 0.00 C ATOM 281 C SER A 18 5.309 -20.155 3.553 1.00 0.00 C ATOM 282 O SER A 18 5.258 -21.308 3.129 1.00 0.00 O ATOM 283 CB SER A 18 3.290 -19.862 5.019 1.00 0.00 C ATOM 284 OG SER A 18 2.774 -21.139 4.654 1.00 0.00 O ATOM 0 H SER A 18 4.620 -17.790 5.428 1.00 0.00 H new ATOM 0 HA SER A 18 5.199 -20.575 5.659 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.957 -19.610 6.026 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.885 -19.103 4.350 1.00 0.00 H new ATOM 0 HG SER A 18 1.795 -21.122 4.702 1.00 0.00 H new ATOM 290 N ALA A 19 5.772 -19.122 2.865 1.00 0.00 N ATOM 291 CA ALA A 19 6.270 -19.287 1.511 1.00 0.00 C ATOM 292 C ALA A 19 7.798 -19.211 1.521 1.00 0.00 C ATOM 293 O ALA A 19 8.464 -19.936 0.784 1.00 0.00 O ATOM 294 CB ALA A 19 5.640 -18.230 0.602 1.00 0.00 C ATOM 0 H ALA A 19 5.813 -18.167 3.221 1.00 0.00 H new ATOM 0 HA ALA A 19 5.991 -20.264 1.117 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.014 -18.354 -0.414 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.556 -18.346 0.606 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.900 -17.236 0.965 1.00 0.00 H new ATOM 300 N ASN A 20 8.309 -18.327 2.366 1.00 0.00 N ATOM 301 CA ASN A 20 9.746 -18.147 2.482 1.00 0.00 C ATOM 302 C ASN A 20 10.125 -18.043 3.961 1.00 0.00 C ATOM 303 O ASN A 20 10.089 -16.976 4.570 1.00 0.00 O ATOM 304 CB ASN A 20 10.198 -16.862 1.786 1.00 0.00 C ATOM 305 CG ASN A 20 11.116 -17.172 0.602 1.00 0.00 C ATOM 306 OD1 ASN A 20 10.931 -16.688 -0.503 1.00 0.00 O ATOM 307 ND2 ASN A 20 12.111 -18.004 0.893 1.00 0.00 N ATOM 0 H ASN A 20 7.753 -17.728 2.977 1.00 0.00 H new ATOM 0 HA ASN A 20 10.232 -19.002 2.012 1.00 0.00 H new ATOM 0 HB2 ASN A 20 9.327 -16.307 1.439 1.00 0.00 H new ATOM 0 HB3 ASN A 20 10.721 -16.223 2.498 1.00 0.00 H new ATOM 0 HD21 ASN A 20 12.778 -18.274 0.170 1.00 0.00 H new ATOM 0 HD22 ASN A 20 12.208 -18.372 1.839 1.00 0.00 H new ATOM 314 N PRO A 21 10.494 -19.192 4.531 1.00 0.00 N ATOM 315 CA PRO A 21 10.893 -19.325 5.915 1.00 0.00 C ATOM 316 C PRO A 21 11.886 -18.226 6.268 1.00 0.00 C ATOM 317 O PRO A 21 12.019 -17.902 7.447 1.00 0.00 O ATOM 318 CB PRO A 21 11.547 -20.702 6.004 1.00 0.00 C ATOM 319 CG PRO A 21 10.816 -21.493 4.940 1.00 0.00 C ATOM 320 CD PRO A 21 10.547 -20.465 3.844 1.00 0.00 C ATOM 0 HA PRO A 21 10.057 -19.233 6.608 1.00 0.00 H new ATOM 0 HB2 PRO A 21 12.618 -20.654 5.807 1.00 0.00 H new ATOM 0 HB3 PRO A 21 11.424 -21.145 6.992 1.00 0.00 H new ATOM 0 HG2 PRO A 21 11.420 -22.322 4.572 1.00 0.00 H new ATOM 0 HG3 PRO A 21 9.890 -21.920 5.324 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.335 -20.475 3.091 1.00 0.00 H new ATOM 0 HD3 PRO A 21 9.610 -20.674 3.328 1.00 0.00 H new ATOM 328 N MET A 22 12.553 -17.683 5.260 1.00 0.00 N ATOM 329 CA MET A 22 13.525 -16.628 5.489 1.00 0.00 C ATOM 330 C MET A 22 12.847 -15.363 6.018 1.00 0.00 C ATOM 331 O MET A 22 13.312 -14.715 6.953 1.00 0.00 O ATOM 332 CB MET A 22 14.250 -16.309 4.179 1.00 0.00 C ATOM 333 CG MET A 22 14.913 -17.560 3.601 1.00 0.00 C ATOM 334 SD MET A 22 16.688 -17.426 3.731 1.00 0.00 S ATOM 335 CE MET A 22 17.147 -17.733 2.033 1.00 0.00 C ATOM 0 H MET A 22 12.439 -17.954 4.283 1.00 0.00 H new ATOM 0 HA MET A 22 14.240 -16.974 6.236 1.00 0.00 H new ATOM 0 HB2 MET A 22 13.542 -15.902 3.457 1.00 0.00 H new ATOM 0 HB3 MET A 22 15.004 -15.541 4.354 1.00 0.00 H new ATOM 0 HG2 MET A 22 14.567 -18.445 4.135 1.00 0.00 H new ATOM 0 HG3 MET A 22 14.625 -17.685 2.557 1.00 0.00 H new ATOM 0 HE1 MET A 22 18.232 -17.686 1.935 1.00 0.00 H new ATOM 0 HE2 MET A 22 16.798 -18.722 1.735 1.00 0.00 H new ATOM 0 HE3 MET A 22 16.692 -16.979 1.391 1.00 0.00 H new ATOM 345 N TYR A 23 11.719 -15.022 5.390 1.00 0.00 N ATOM 346 CA TYR A 23 10.958 -13.849 5.771 1.00 0.00 C ATOM 347 C TYR A 23 10.200 -14.123 7.062 1.00 0.00 C ATOM 348 O TYR A 23 9.366 -15.027 7.081 1.00 0.00 O ATOM 349 CB TYR A 23 9.996 -13.482 4.645 1.00 0.00 C ATOM 350 CG TYR A 23 9.432 -12.086 4.766 1.00 0.00 C ATOM 351 CD1 TYR A 23 10.115 -11.004 4.198 1.00 0.00 C ATOM 352 CD2 TYR A 23 8.227 -11.875 5.445 1.00 0.00 C ATOM 353 CE1 TYR A 23 9.593 -9.710 4.310 1.00 0.00 C ATOM 354 CE2 TYR A 23 7.704 -10.580 5.557 1.00 0.00 C ATOM 355 CZ TYR A 23 8.387 -9.498 4.990 1.00 0.00 C ATOM 356 OH TYR A 23 7.878 -8.237 5.099 1.00 0.00 O ATOM 0 H TYR A 23 11.319 -15.549 4.614 1.00 0.00 H new ATOM 0 HA TYR A 23 11.633 -13.011 5.942 1.00 0.00 H new ATOM 0 HB2 TYR A 23 10.514 -13.575 3.690 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.174 -14.198 4.632 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.045 -11.168 3.673 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.700 -12.710 5.883 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.120 -8.875 3.872 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.774 -10.417 6.081 1.00 0.00 H new ATOM 0 HH TYR A 23 6.940 -8.286 5.379 1.00 0.00 H new ATOM 366 N GLU A 24 10.495 -13.352 8.098 1.00 0.00 N ATOM 367 CA GLU A 24 9.829 -13.529 9.377 1.00 0.00 C ATOM 368 C GLU A 24 9.065 -12.259 9.758 1.00 0.00 C ATOM 369 O GLU A 24 7.921 -12.329 10.204 1.00 0.00 O ATOM 370 CB GLU A 24 10.829 -13.916 10.468 1.00 0.00 C ATOM 371 CG GLU A 24 11.551 -15.217 10.113 1.00 0.00 C ATOM 372 CD GLU A 24 11.304 -16.289 11.177 1.00 0.00 C ATOM 373 OE1 GLU A 24 10.145 -16.751 11.259 1.00 0.00 O ATOM 374 OE2 GLU A 24 12.279 -16.621 11.885 1.00 0.00 O ATOM 0 H GLU A 24 11.187 -12.603 8.078 1.00 0.00 H new ATOM 0 HA GLU A 24 9.113 -14.345 9.281 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.557 -13.116 10.599 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.309 -14.032 11.419 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.206 -15.576 9.143 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.621 -15.030 10.021 1.00 0.00 H new ATOM 381 N ALA A 25 9.729 -11.128 9.569 1.00 0.00 N ATOM 382 CA ALA A 25 9.128 -9.845 9.888 1.00 0.00 C ATOM 383 C ALA A 25 9.349 -8.879 8.722 1.00 0.00 C ATOM 384 O ALA A 25 10.166 -9.106 7.833 1.00 0.00 O ATOM 385 CB ALA A 25 9.713 -9.318 11.200 1.00 0.00 C ATOM 0 H ALA A 25 10.678 -11.074 9.199 1.00 0.00 H new ATOM 0 HA ALA A 25 8.052 -9.950 10.030 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.262 -8.355 11.439 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.504 -10.026 12.002 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.791 -9.197 11.095 1.00 0.00 H new ATOM 391 N PRO A 26 8.589 -7.782 8.746 1.00 0.00 N ATOM 392 CA PRO A 26 8.634 -6.736 7.747 1.00 0.00 C ATOM 393 C PRO A 26 9.633 -5.669 8.169 1.00 0.00 C ATOM 394 O PRO A 26 10.384 -5.899 9.115 1.00 0.00 O ATOM 395 CB PRO A 26 7.215 -6.173 7.706 1.00 0.00 C ATOM 396 CG PRO A 26 6.794 -6.325 9.218 1.00 0.00 C ATOM 397 CD PRO A 26 7.618 -7.484 9.776 1.00 0.00 C ATOM 0 HA PRO A 26 8.950 -7.097 6.768 1.00 0.00 H new ATOM 0 HB2 PRO A 26 7.191 -5.136 7.373 1.00 0.00 H new ATOM 0 HB3 PRO A 26 6.565 -6.738 7.037 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.990 -5.406 9.771 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.727 -6.528 9.306 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.106 -7.207 10.711 1.00 0.00 H new ATOM 0 HD3 PRO A 26 6.990 -8.349 9.988 1.00 0.00 H new ATOM 405 N SER A 27 9.627 -4.541 7.473 1.00 0.00 N ATOM 406 CA SER A 27 10.543 -3.460 7.793 1.00 0.00 C ATOM 407 C SER A 27 9.920 -2.116 7.409 1.00 0.00 C ATOM 408 O SER A 27 8.857 -2.074 6.791 1.00 0.00 O ATOM 409 CB SER A 27 11.884 -3.645 7.082 1.00 0.00 C ATOM 410 OG SER A 27 12.809 -2.611 7.408 1.00 0.00 O ATOM 0 H SER A 27 9.002 -4.353 6.689 1.00 0.00 H new ATOM 0 HA SER A 27 10.727 -3.475 8.867 1.00 0.00 H new ATOM 0 HB2 SER A 27 12.309 -4.611 7.355 1.00 0.00 H new ATOM 0 HB3 SER A 27 11.723 -3.661 6.004 1.00 0.00 H new ATOM 0 HG SER A 27 13.653 -2.766 6.935 1.00 0.00 H new ATOM 416 N ILE A 28 10.608 -1.050 7.790 1.00 0.00 N ATOM 417 CA ILE A 28 10.135 0.292 7.493 1.00 0.00 C ATOM 418 C ILE A 28 11.195 1.031 6.674 1.00 0.00 C ATOM 419 O ILE A 28 11.310 2.253 6.760 1.00 0.00 O ATOM 420 CB ILE A 28 9.737 1.016 8.780 1.00 0.00 C ATOM 421 CG1 ILE A 28 10.942 1.191 9.707 1.00 0.00 C ATOM 422 CG2 ILE A 28 8.578 0.300 9.476 1.00 0.00 C ATOM 423 CD1 ILE A 28 10.785 2.436 10.582 1.00 0.00 C ATOM 0 H ILE A 28 11.489 -1.088 8.302 1.00 0.00 H new ATOM 0 HA ILE A 28 9.232 0.252 6.885 1.00 0.00 H new ATOM 0 HB ILE A 28 9.387 2.014 8.516 1.00 0.00 H new ATOM 0 HG12 ILE A 28 11.050 0.309 10.339 1.00 0.00 H new ATOM 0 HG13 ILE A 28 11.853 1.272 9.114 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.315 0.835 10.388 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.715 0.272 8.810 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.877 -0.718 9.726 1.00 0.00 H new ATOM 0 HD11 ILE A 28 11.655 2.537 11.231 1.00 0.00 H new ATOM 0 HD12 ILE A 28 10.702 3.318 9.948 1.00 0.00 H new ATOM 0 HD13 ILE A 28 9.886 2.341 11.192 1.00 0.00 H new ATOM 435 N THR A 29 11.942 0.260 5.898 1.00 0.00 N ATOM 436 CA THR A 29 12.988 0.827 5.063 1.00 0.00 C ATOM 437 C THR A 29 12.898 0.268 3.642 1.00 0.00 C ATOM 438 O THR A 29 13.766 0.533 2.811 1.00 0.00 O ATOM 439 CB THR A 29 14.333 0.553 5.740 1.00 0.00 C ATOM 440 OG1 THR A 29 14.318 1.391 6.893 1.00 0.00 O ATOM 441 CG2 THR A 29 15.517 1.068 4.920 1.00 0.00 C ATOM 0 H THR A 29 11.844 -0.753 5.830 1.00 0.00 H new ATOM 0 HA THR A 29 12.872 1.906 4.962 1.00 0.00 H new ATOM 0 HB THR A 29 14.445 -0.519 5.905 1.00 0.00 H new ATOM 0 HG1 THR A 29 15.153 1.275 7.392 1.00 0.00 H new ATOM 0 HG21 THR A 29 16.446 0.848 5.445 1.00 0.00 H new ATOM 0 HG22 THR A 29 15.526 0.578 3.946 1.00 0.00 H new ATOM 0 HG23 THR A 29 15.424 2.145 4.783 1.00 0.00 H new ATOM 449 N ASP A 30 11.841 -0.496 3.406 1.00 0.00 N ATOM 450 CA ASP A 30 11.627 -1.094 2.100 1.00 0.00 C ATOM 451 C ASP A 30 10.394 -0.464 1.451 1.00 0.00 C ATOM 452 O ASP A 30 10.275 -0.441 0.227 1.00 0.00 O ATOM 453 CB ASP A 30 11.382 -2.600 2.217 1.00 0.00 C ATOM 454 CG ASP A 30 12.590 -3.480 1.887 1.00 0.00 C ATOM 455 OD1 ASP A 30 13.227 -3.201 0.849 1.00 0.00 O ATOM 456 OD2 ASP A 30 12.848 -4.410 2.681 1.00 0.00 O ATOM 0 H ASP A 30 11.124 -0.714 4.098 1.00 0.00 H new ATOM 0 HA ASP A 30 12.520 -0.919 1.499 1.00 0.00 H new ATOM 0 HB2 ASP A 30 11.057 -2.822 3.233 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.561 -2.872 1.553 1.00 0.00 H new ATOM 461 N GLY A 31 9.505 0.032 2.300 1.00 0.00 N ATOM 462 CA GLY A 31 8.285 0.661 1.825 1.00 0.00 C ATOM 463 C GLY A 31 8.551 2.095 1.365 1.00 0.00 C ATOM 464 O GLY A 31 7.904 3.031 1.832 1.00 0.00 O ATOM 0 H GLY A 31 9.606 0.011 3.315 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.870 0.082 1.000 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.539 0.663 2.620 1.00 0.00 H new ATOM 468 N LYS A 32 9.505 2.224 0.454 1.00 0.00 N ATOM 469 CA LYS A 32 9.865 3.528 -0.075 1.00 0.00 C ATOM 470 C LYS A 32 10.154 3.405 -1.572 1.00 0.00 C ATOM 471 O LYS A 32 9.419 3.947 -2.397 1.00 0.00 O ATOM 472 CB LYS A 32 11.019 4.132 0.727 1.00 0.00 C ATOM 473 CG LYS A 32 10.521 5.238 1.659 1.00 0.00 C ATOM 474 CD LYS A 32 10.090 6.472 0.863 1.00 0.00 C ATOM 475 CE LYS A 32 8.580 6.696 0.972 1.00 0.00 C ATOM 476 NZ LYS A 32 8.283 8.130 1.180 1.00 0.00 N ATOM 0 H LYS A 32 10.040 1.446 0.069 1.00 0.00 H new ATOM 0 HA LYS A 32 9.034 4.225 0.033 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.507 3.352 1.311 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.768 4.536 0.045 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.682 4.870 2.250 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.310 5.510 2.360 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.619 7.350 1.233 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.368 6.349 -0.184 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.088 6.344 0.065 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.178 6.112 1.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.254 8.265 1.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.737 8.455 2.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.649 8.680 0.377 1.00 0.00 H new ATOM 490 N ILE A 33 11.226 2.689 -1.878 1.00 0.00 N ATOM 491 CA ILE A 33 11.622 2.488 -3.261 1.00 0.00 C ATOM 492 C ILE A 33 10.492 1.781 -4.013 1.00 0.00 C ATOM 493 O ILE A 33 10.077 2.228 -5.081 1.00 0.00 O ATOM 494 CB ILE A 33 12.962 1.754 -3.334 1.00 0.00 C ATOM 495 CG1 ILE A 33 14.080 2.591 -2.708 1.00 0.00 C ATOM 496 CG2 ILE A 33 13.288 1.348 -4.773 1.00 0.00 C ATOM 497 CD1 ILE A 33 15.210 1.698 -2.192 1.00 0.00 C ATOM 0 H ILE A 33 11.833 2.241 -1.191 1.00 0.00 H new ATOM 0 HA ILE A 33 11.783 3.447 -3.754 1.00 0.00 H new ATOM 0 HB ILE A 33 12.881 0.836 -2.751 1.00 0.00 H new ATOM 0 HG12 ILE A 33 14.473 3.290 -3.446 1.00 0.00 H new ATOM 0 HG13 ILE A 33 13.678 3.186 -1.888 1.00 0.00 H new ATOM 0 HG21 ILE A 33 14.246 0.828 -4.796 1.00 0.00 H new ATOM 0 HG22 ILE A 33 12.507 0.688 -5.150 1.00 0.00 H new ATOM 0 HG23 ILE A 33 13.344 2.239 -5.399 1.00 0.00 H new ATOM 0 HD11 ILE A 33 15.991 2.318 -1.752 1.00 0.00 H new ATOM 0 HD12 ILE A 33 14.819 1.016 -1.437 1.00 0.00 H new ATOM 0 HD13 ILE A 33 15.626 1.123 -3.019 1.00 0.00 H new ATOM 509 N PHE A 34 10.027 0.688 -3.425 1.00 0.00 N ATOM 510 CA PHE A 34 8.954 -0.085 -4.026 1.00 0.00 C ATOM 511 C PHE A 34 7.743 0.800 -4.327 1.00 0.00 C ATOM 512 O PHE A 34 6.912 0.457 -5.168 1.00 0.00 O ATOM 513 CB PHE A 34 8.549 -1.154 -3.008 1.00 0.00 C ATOM 514 CG PHE A 34 7.230 -1.857 -3.336 1.00 0.00 C ATOM 515 CD1 PHE A 34 7.119 -2.600 -4.469 1.00 0.00 C ATOM 516 CD2 PHE A 34 6.169 -1.738 -2.493 1.00 0.00 C ATOM 517 CE1 PHE A 34 5.895 -3.253 -4.773 1.00 0.00 C ATOM 518 CE2 PHE A 34 4.945 -2.391 -2.797 1.00 0.00 C ATOM 519 CZ PHE A 34 4.834 -3.135 -3.930 1.00 0.00 C ATOM 0 H PHE A 34 10.374 0.320 -2.539 1.00 0.00 H new ATOM 0 HA PHE A 34 9.292 -0.524 -4.965 1.00 0.00 H new ATOM 0 HB2 PHE A 34 9.341 -1.900 -2.945 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.468 -0.692 -2.024 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.962 -2.694 -5.138 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.257 -1.147 -1.593 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.807 -3.843 -5.673 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.102 -2.297 -2.128 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.903 -3.632 -4.160 1.00 0.00 H new ATOM 529 N PHE A 35 7.680 1.921 -3.625 1.00 0.00 N ATOM 530 CA PHE A 35 6.584 2.858 -3.807 1.00 0.00 C ATOM 531 C PHE A 35 7.062 4.131 -4.509 1.00 0.00 C ATOM 532 O PHE A 35 6.302 5.087 -4.653 1.00 0.00 O ATOM 533 CB PHE A 35 6.071 3.222 -2.413 1.00 0.00 C ATOM 534 CG PHE A 35 4.979 4.294 -2.412 1.00 0.00 C ATOM 535 CD1 PHE A 35 3.712 3.975 -2.788 1.00 0.00 C ATOM 536 CD2 PHE A 35 5.276 5.567 -2.034 1.00 0.00 C ATOM 537 CE1 PHE A 35 2.699 4.970 -2.787 1.00 0.00 C ATOM 538 CE2 PHE A 35 4.264 6.562 -2.033 1.00 0.00 C ATOM 539 CZ PHE A 35 2.996 6.243 -2.410 1.00 0.00 C ATOM 0 H PHE A 35 8.370 2.202 -2.929 1.00 0.00 H new ATOM 0 HA PHE A 35 5.806 2.406 -4.422 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.684 2.323 -1.933 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.908 3.570 -1.808 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.476 2.965 -3.088 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.282 5.820 -1.735 1.00 0.00 H new ATOM 0 HE1 PHE A 35 1.693 4.716 -3.086 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.500 7.572 -1.733 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.226 7.000 -2.410 1.00 0.00 H new ATOM 549 N ASN A 36 8.319 4.101 -4.928 1.00 0.00 N ATOM 550 CA ASN A 36 8.907 5.240 -5.612 1.00 0.00 C ATOM 551 C ASN A 36 9.791 4.742 -6.757 1.00 0.00 C ATOM 552 O ASN A 36 10.693 5.450 -7.203 1.00 0.00 O ATOM 553 CB ASN A 36 9.781 6.062 -4.663 1.00 0.00 C ATOM 554 CG ASN A 36 8.934 6.739 -3.584 1.00 0.00 C ATOM 555 OD1 ASN A 36 7.714 6.706 -3.605 1.00 0.00 O ATOM 556 ND2 ASN A 36 9.645 7.354 -2.644 1.00 0.00 N ATOM 0 H ASN A 36 8.946 3.306 -4.807 1.00 0.00 H new ATOM 0 HA ASN A 36 8.095 5.864 -5.986 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.523 5.415 -4.195 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.327 6.817 -5.228 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.171 7.837 -1.880 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.664 7.343 -2.686 1.00 0.00 H new ATOM 563 N ARG A 37 9.501 3.527 -7.200 1.00 0.00 N ATOM 564 CA ARG A 37 10.259 2.926 -8.284 1.00 0.00 C ATOM 565 C ARG A 37 9.441 2.944 -9.577 1.00 0.00 C ATOM 566 O ARG A 37 8.519 2.146 -9.744 1.00 0.00 O ATOM 567 CB ARG A 37 10.644 1.483 -7.953 1.00 0.00 C ATOM 568 CG ARG A 37 11.767 0.991 -8.868 1.00 0.00 C ATOM 569 CD ARG A 37 12.934 0.433 -8.053 1.00 0.00 C ATOM 570 NE ARG A 37 12.662 -0.972 -7.675 1.00 0.00 N ATOM 571 CZ ARG A 37 12.880 -2.022 -8.478 1.00 0.00 C ATOM 572 NH1 ARG A 37 13.374 -1.833 -9.709 1.00 0.00 N ATOM 573 NH2 ARG A 37 12.603 -3.262 -8.051 1.00 0.00 N ATOM 0 H ARG A 37 8.752 2.943 -6.828 1.00 0.00 H new ATOM 0 HA ARG A 37 11.169 3.512 -8.417 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.963 1.418 -6.913 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.773 0.837 -8.061 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.384 0.220 -9.537 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.116 1.812 -9.495 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.854 0.490 -8.634 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.084 1.036 -7.158 1.00 0.00 H new ATOM 0 HE ARG A 37 12.285 -1.152 -6.745 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.584 -0.890 -10.035 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.540 -2.633 -10.320 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.226 -3.407 -7.114 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.769 -4.061 -8.663 1.00 0.00 H new ATOM 587 N LYS A 38 9.807 3.863 -10.459 1.00 0.00 N ATOM 588 CA LYS A 38 9.118 3.996 -11.731 1.00 0.00 C ATOM 589 C LYS A 38 9.160 2.657 -12.471 1.00 0.00 C ATOM 590 O LYS A 38 10.141 2.346 -13.145 1.00 0.00 O ATOM 591 CB LYS A 38 9.699 5.161 -12.535 1.00 0.00 C ATOM 592 CG LYS A 38 9.119 5.192 -13.951 1.00 0.00 C ATOM 593 CD LYS A 38 8.151 6.365 -14.122 1.00 0.00 C ATOM 594 CE LYS A 38 8.889 7.702 -14.031 1.00 0.00 C ATOM 595 NZ LYS A 38 9.968 7.768 -15.041 1.00 0.00 N ATOM 0 H LYS A 38 10.572 4.523 -10.317 1.00 0.00 H new ATOM 0 HA LYS A 38 8.068 4.240 -11.572 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.482 6.101 -12.028 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.784 5.068 -12.584 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.928 5.274 -14.677 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.601 4.255 -14.156 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.648 6.288 -15.086 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.379 6.319 -13.354 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.188 8.522 -14.185 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.309 7.825 -13.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.253 8.758 -15.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.785 7.215 -14.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.625 7.377 -15.942 1.00 0.00 H new ATOM 609 N PHE A 39 8.084 1.900 -12.319 1.00 0.00 N ATOM 610 CA PHE A 39 7.985 0.601 -12.964 1.00 0.00 C ATOM 611 C PHE A 39 7.137 0.684 -14.236 1.00 0.00 C ATOM 612 O PHE A 39 6.415 1.658 -14.443 1.00 0.00 O ATOM 613 CB PHE A 39 7.303 -0.341 -11.971 1.00 0.00 C ATOM 614 CG PHE A 39 5.959 0.172 -11.449 1.00 0.00 C ATOM 615 CD1 PHE A 39 4.844 0.063 -12.220 1.00 0.00 C ATOM 616 CD2 PHE A 39 5.879 0.736 -10.215 1.00 0.00 C ATOM 617 CE1 PHE A 39 3.596 0.539 -11.736 1.00 0.00 C ATOM 618 CE2 PHE A 39 4.632 1.212 -9.731 1.00 0.00 C ATOM 619 CZ PHE A 39 3.517 1.103 -10.502 1.00 0.00 C ATOM 0 H PHE A 39 7.273 2.161 -11.759 1.00 0.00 H new ATOM 0 HA PHE A 39 8.978 0.248 -13.243 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.150 -1.308 -12.450 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.971 -0.506 -11.125 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.907 -0.386 -13.200 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.764 0.822 -9.602 1.00 0.00 H new ATOM 0 HE1 PHE A 39 2.711 0.453 -12.348 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.569 1.661 -8.751 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.568 1.465 -10.134 1.00 0.00 H new ATOM 629 N LYS A 40 7.253 -0.352 -15.054 1.00 0.00 N ATOM 630 CA LYS A 40 6.507 -0.409 -16.299 1.00 0.00 C ATOM 631 C LYS A 40 5.363 -1.415 -16.157 1.00 0.00 C ATOM 632 O LYS A 40 5.491 -2.410 -15.445 1.00 0.00 O ATOM 633 CB LYS A 40 7.444 -0.704 -17.472 1.00 0.00 C ATOM 634 CG LYS A 40 7.026 0.080 -18.718 1.00 0.00 C ATOM 635 CD LYS A 40 7.347 -0.703 -19.992 1.00 0.00 C ATOM 636 CE LYS A 40 6.075 -1.000 -20.789 1.00 0.00 C ATOM 637 NZ LYS A 40 6.351 -1.983 -21.860 1.00 0.00 N ATOM 0 H LYS A 40 7.852 -1.158 -14.879 1.00 0.00 H new ATOM 0 HA LYS A 40 6.056 0.559 -16.518 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.467 -0.443 -17.200 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.435 -1.772 -17.690 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.958 0.292 -18.677 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.541 1.040 -18.738 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.042 -0.132 -20.608 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.845 -1.638 -19.733 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.304 -1.386 -20.123 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.688 -0.079 -21.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.477 -2.173 -22.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.072 -1.600 -22.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.699 -2.868 -21.438 1.00 0.00 H new ATOM 651 N THR A 41 4.270 -1.121 -16.847 1.00 0.00 N ATOM 652 CA THR A 41 3.105 -1.988 -16.806 1.00 0.00 C ATOM 653 C THR A 41 3.016 -2.822 -18.086 1.00 0.00 C ATOM 654 O THR A 41 3.507 -2.443 -19.147 1.00 0.00 O ATOM 655 CB THR A 41 1.873 -1.113 -16.564 1.00 0.00 C ATOM 656 OG1 THR A 41 1.733 -0.369 -17.771 1.00 0.00 O ATOM 657 CG2 THR A 41 2.115 -0.046 -15.494 1.00 0.00 C ATOM 0 H THR A 41 4.167 -0.295 -17.437 1.00 0.00 H new ATOM 0 HA THR A 41 3.176 -2.708 -15.990 1.00 0.00 H new ATOM 0 HB THR A 41 1.034 -1.742 -16.267 1.00 0.00 H new ATOM 0 HG1 THR A 41 2.045 0.549 -17.628 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.210 0.547 -15.361 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.375 -0.528 -14.552 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.932 0.604 -15.807 1.00 0.00 H new ATOM 665 N PRO A 42 2.368 -3.982 -17.960 1.00 0.00 N ATOM 666 CA PRO A 42 2.164 -4.924 -19.039 1.00 0.00 C ATOM 667 C PRO A 42 1.263 -4.302 -20.096 1.00 0.00 C ATOM 668 O PRO A 42 1.067 -4.915 -21.145 1.00 0.00 O ATOM 669 CB PRO A 42 1.490 -6.129 -18.385 1.00 0.00 C ATOM 670 CG PRO A 42 0.724 -5.474 -17.161 1.00 0.00 C ATOM 671 CD PRO A 42 1.778 -4.458 -16.727 1.00 0.00 C ATOM 0 HA PRO A 42 3.092 -5.206 -19.537 1.00 0.00 H new ATOM 0 HB2 PRO A 42 0.806 -6.632 -19.069 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.217 -6.872 -18.058 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -0.215 -5.005 -17.455 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.489 -6.195 -16.378 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.330 -3.641 -16.162 1.00 0.00 H new ATOM 0 HD3 PRO A 42 2.527 -4.917 -16.082 1.00 0.00 H new ATOM 679 N SER A 43 0.738 -3.120 -19.809 1.00 0.00 N ATOM 680 CA SER A 43 -0.137 -2.441 -20.749 1.00 0.00 C ATOM 681 C SER A 43 0.616 -1.298 -21.433 1.00 0.00 C ATOM 682 O SER A 43 0.032 -0.258 -21.733 1.00 0.00 O ATOM 683 CB SER A 43 -1.389 -1.908 -20.050 1.00 0.00 C ATOM 684 OG SER A 43 -1.263 -0.532 -19.704 1.00 0.00 O ATOM 0 H SER A 43 0.902 -2.615 -18.938 1.00 0.00 H new ATOM 0 HA SER A 43 -0.454 -3.162 -21.503 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.252 -2.040 -20.702 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.578 -2.492 -19.149 1.00 0.00 H new ATOM 0 HG SER A 43 -1.140 -0.000 -20.518 1.00 0.00 H new ATOM 690 N GLY A 44 1.900 -1.531 -21.661 1.00 0.00 N ATOM 691 CA GLY A 44 2.739 -0.534 -22.304 1.00 0.00 C ATOM 692 C GLY A 44 2.459 0.862 -21.743 1.00 0.00 C ATOM 693 O GLY A 44 1.725 1.642 -22.348 1.00 0.00 O ATOM 0 H GLY A 44 2.380 -2.396 -21.412 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.789 -0.786 -22.155 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.559 -0.541 -23.379 1.00 0.00 H new ATOM 697 N LYS A 45 3.058 1.135 -20.594 1.00 0.00 N ATOM 698 CA LYS A 45 2.883 2.423 -19.945 1.00 0.00 C ATOM 699 C LYS A 45 3.533 2.384 -18.560 1.00 0.00 C ATOM 700 O LYS A 45 3.214 1.520 -17.745 1.00 0.00 O ATOM 701 CB LYS A 45 1.404 2.813 -19.920 1.00 0.00 C ATOM 702 CG LYS A 45 1.121 3.818 -18.801 1.00 0.00 C ATOM 703 CD LYS A 45 -0.168 4.596 -19.076 1.00 0.00 C ATOM 704 CE LYS A 45 -1.156 4.446 -17.918 1.00 0.00 C ATOM 705 NZ LYS A 45 -1.120 5.643 -17.048 1.00 0.00 N ATOM 0 H LYS A 45 3.666 0.486 -20.095 1.00 0.00 H new ATOM 0 HA LYS A 45 3.386 3.207 -20.511 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.121 3.244 -20.881 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.792 1.923 -19.777 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.038 3.294 -17.849 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.957 4.512 -18.711 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.064 5.650 -19.226 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.625 4.236 -19.998 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.164 4.303 -18.308 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.911 3.558 -17.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.796 5.525 -16.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.162 5.762 -16.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.376 6.484 -17.604 1.00 0.00 H new ATOM 719 N GLU A 46 4.431 3.331 -18.337 1.00 0.00 N ATOM 720 CA GLU A 46 5.129 3.416 -17.065 1.00 0.00 C ATOM 721 C GLU A 46 4.245 4.101 -16.020 1.00 0.00 C ATOM 722 O GLU A 46 3.366 4.889 -16.365 1.00 0.00 O ATOM 723 CB GLU A 46 6.463 4.149 -17.219 1.00 0.00 C ATOM 724 CG GLU A 46 6.242 5.628 -17.543 1.00 0.00 C ATOM 725 CD GLU A 46 6.165 5.852 -19.055 1.00 0.00 C ATOM 726 OE1 GLU A 46 7.219 5.690 -19.707 1.00 0.00 O ATOM 727 OE2 GLU A 46 5.054 6.181 -19.523 1.00 0.00 O ATOM 0 H GLU A 46 4.692 4.047 -19.015 1.00 0.00 H new ATOM 0 HA GLU A 46 5.346 2.404 -16.723 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.041 4.057 -16.299 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.049 3.683 -18.011 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.321 5.973 -17.073 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.055 6.221 -17.125 1.00 0.00 H new ATOM 734 N ALA A 47 4.509 3.774 -14.763 1.00 0.00 N ATOM 735 CA ALA A 47 3.748 4.347 -13.666 1.00 0.00 C ATOM 736 C ALA A 47 4.508 4.130 -12.356 1.00 0.00 C ATOM 737 O ALA A 47 5.561 3.494 -12.343 1.00 0.00 O ATOM 738 CB ALA A 47 2.348 3.730 -13.637 1.00 0.00 C ATOM 0 H ALA A 47 5.239 3.120 -14.480 1.00 0.00 H new ATOM 0 HA ALA A 47 3.627 5.422 -13.803 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.778 4.160 -12.814 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.839 3.938 -14.578 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.428 2.652 -13.498 1.00 0.00 H new ATOM 744 N ALA A 48 3.945 4.670 -11.285 1.00 0.00 N ATOM 745 CA ALA A 48 4.556 4.543 -9.973 1.00 0.00 C ATOM 746 C ALA A 48 3.478 4.684 -8.897 1.00 0.00 C ATOM 747 O ALA A 48 2.461 5.341 -9.114 1.00 0.00 O ATOM 748 CB ALA A 48 5.668 5.584 -9.825 1.00 0.00 C ATOM 0 H ALA A 48 3.072 5.197 -11.299 1.00 0.00 H new ATOM 0 HA ALA A 48 5.012 3.560 -9.855 1.00 0.00 H new ATOM 0 HB1 ALA A 48 6.127 5.489 -8.841 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.423 5.422 -10.594 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.247 6.584 -9.934 1.00 0.00 H new ATOM 754 N CYS A 49 3.737 4.056 -7.760 1.00 0.00 N ATOM 755 CA CYS A 49 2.801 4.103 -6.649 1.00 0.00 C ATOM 756 C CYS A 49 2.719 5.547 -6.151 1.00 0.00 C ATOM 757 O CYS A 49 1.829 5.890 -5.373 1.00 0.00 O ATOM 758 CB CYS A 49 3.200 3.135 -5.532 1.00 0.00 C ATOM 759 SG CYS A 49 3.431 1.401 -6.066 1.00 0.00 S ATOM 0 H CYS A 49 4.581 3.512 -7.584 1.00 0.00 H new ATOM 0 HA CYS A 49 1.816 3.780 -6.986 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.127 3.487 -5.079 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.435 3.163 -4.756 1.00 0.00 H new ATOM 764 N ALA A 50 3.659 6.355 -6.618 1.00 0.00 N ATOM 765 CA ALA A 50 3.704 7.754 -6.230 1.00 0.00 C ATOM 766 C ALA A 50 3.146 8.613 -7.366 1.00 0.00 C ATOM 767 O ALA A 50 3.190 9.840 -7.301 1.00 0.00 O ATOM 768 CB ALA A 50 5.140 8.136 -5.862 1.00 0.00 C ATOM 0 H ALA A 50 4.396 6.067 -7.262 1.00 0.00 H new ATOM 0 HA ALA A 50 3.084 7.928 -5.350 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.174 9.186 -5.571 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.479 7.518 -5.031 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.791 7.977 -6.722 1.00 0.00 H new ATOM 774 N SER A 51 2.632 7.933 -8.381 1.00 0.00 N ATOM 775 CA SER A 51 2.066 8.618 -9.531 1.00 0.00 C ATOM 776 C SER A 51 0.686 9.178 -9.178 1.00 0.00 C ATOM 777 O SER A 51 0.265 10.194 -9.729 1.00 0.00 O ATOM 778 CB SER A 51 1.966 7.682 -10.736 1.00 0.00 C ATOM 779 OG SER A 51 1.021 6.636 -10.524 1.00 0.00 O ATOM 0 H SER A 51 2.596 6.915 -8.431 1.00 0.00 H new ATOM 0 HA SER A 51 2.728 9.441 -9.799 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.680 8.256 -11.618 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.945 7.250 -10.941 1.00 0.00 H new ATOM 0 HG SER A 51 1.492 5.818 -10.259 1.00 0.00 H new ATOM 785 N CYS A 52 0.020 8.490 -8.262 1.00 0.00 N ATOM 786 CA CYS A 52 -1.304 8.906 -7.830 1.00 0.00 C ATOM 787 C CYS A 52 -1.241 9.229 -6.336 1.00 0.00 C ATOM 788 O CYS A 52 -1.764 10.248 -5.889 1.00 0.00 O ATOM 789 CB CYS A 52 -2.360 7.843 -8.140 1.00 0.00 C ATOM 790 SG CYS A 52 -2.393 7.500 -9.937 1.00 0.00 S ATOM 0 H CYS A 52 0.372 7.648 -7.807 1.00 0.00 H new ATOM 0 HA CYS A 52 -1.607 9.796 -8.381 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -2.139 6.928 -7.591 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -3.340 8.185 -7.808 1.00 0.00 H new ATOM 795 N HIS A 53 -0.590 8.335 -5.592 1.00 0.00 N ATOM 796 CA HIS A 53 -0.427 8.472 -4.149 1.00 0.00 C ATOM 797 C HIS A 53 0.794 9.360 -3.846 1.00 0.00 C ATOM 798 O HIS A 53 1.269 9.391 -2.712 1.00 0.00 O ATOM 799 CB HIS A 53 -0.362 7.073 -3.520 1.00 0.00 C ATOM 800 CG HIS A 53 -1.492 6.125 -3.853 1.00 0.00 C ATOM 801 ND1 HIS A 53 -2.768 6.397 -3.563 1.00 0.00 N ATOM 802 CD2 HIS A 53 -1.492 4.894 -4.464 1.00 0.00 C ATOM 803 CE1 HIS A 53 -3.533 5.375 -3.976 1.00 0.00 C ATOM 804 NE2 HIS A 53 -2.796 4.420 -4.540 1.00 0.00 N ATOM 0 H HIS A 53 -0.160 7.494 -5.976 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.281 8.978 -3.697 1.00 0.00 H new ATOM 0 HB2 HIS A 53 0.575 6.606 -3.825 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.323 7.189 -2.437 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -3.105 7.243 -3.103 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.617 4.377 -4.828 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -4.606 5.332 -3.865 1.00 0.00 H new ATOM 812 N THR A 54 1.259 10.055 -4.874 1.00 0.00 N ATOM 813 CA THR A 54 2.407 10.933 -4.725 1.00 0.00 C ATOM 814 C THR A 54 3.560 10.193 -4.045 1.00 0.00 C ATOM 815 O THR A 54 3.391 9.069 -3.577 1.00 0.00 O ATOM 816 CB THR A 54 1.952 12.180 -3.964 1.00 0.00 C ATOM 817 OG1 THR A 54 1.386 11.666 -2.762 1.00 0.00 O ATOM 818 CG2 THR A 54 0.785 12.892 -4.651 1.00 0.00 C ATOM 0 H THR A 54 0.862 10.028 -5.813 1.00 0.00 H new ATOM 0 HA THR A 54 2.792 11.248 -5.695 1.00 0.00 H new ATOM 0 HB THR A 54 2.790 12.870 -3.864 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.984 10.989 -2.382 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.501 13.770 -4.070 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.086 13.201 -5.652 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.065 12.213 -4.721 1.00 0.00 H new ATOM 826 N ASN A 55 4.708 10.855 -4.012 1.00 0.00 N ATOM 827 CA ASN A 55 5.889 10.274 -3.397 1.00 0.00 C ATOM 828 C ASN A 55 5.551 9.830 -1.973 1.00 0.00 C ATOM 829 O ASN A 55 6.198 8.937 -1.427 1.00 0.00 O ATOM 830 CB ASN A 55 7.027 11.295 -3.317 1.00 0.00 C ATOM 831 CG ASN A 55 6.580 12.556 -2.576 1.00 0.00 C ATOM 832 OD1 ASN A 55 6.582 12.626 -1.358 1.00 0.00 O ATOM 833 ND2 ASN A 55 6.197 13.547 -3.376 1.00 0.00 N ATOM 0 H ASN A 55 4.845 11.788 -4.401 1.00 0.00 H new ATOM 0 HA ASN A 55 6.206 9.428 -4.007 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.882 10.853 -2.806 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.357 11.557 -4.322 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.881 14.431 -2.977 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.220 13.423 -4.388 1.00 0.00 H new ATOM 840 N ASN A 56 4.538 10.473 -1.411 1.00 0.00 N ATOM 841 CA ASN A 56 4.107 10.155 -0.060 1.00 0.00 C ATOM 842 C ASN A 56 2.589 9.963 -0.047 1.00 0.00 C ATOM 843 O ASN A 56 1.819 10.823 -0.467 1.00 0.00 O ATOM 844 CB ASN A 56 4.449 11.289 0.908 1.00 0.00 C ATOM 845 CG ASN A 56 4.788 10.741 2.296 1.00 0.00 C ATOM 846 OD1 ASN A 56 5.421 9.708 2.446 1.00 0.00 O ATOM 847 ND2 ASN A 56 4.333 11.487 3.298 1.00 0.00 N ATOM 0 H ASN A 56 4.003 11.213 -1.866 1.00 0.00 H new ATOM 0 HA ASN A 56 4.621 9.246 0.254 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.294 11.859 0.522 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.607 11.977 0.980 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.507 11.206 4.263 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.810 12.340 3.102 1.00 0.00 H new ATOM 854 N PRO A 57 2.172 8.797 0.453 1.00 0.00 N ATOM 855 CA PRO A 57 0.783 8.407 0.563 1.00 0.00 C ATOM 856 C PRO A 57 0.104 9.237 1.643 1.00 0.00 C ATOM 857 O PRO A 57 -1.034 9.657 1.441 1.00 0.00 O ATOM 858 CB PRO A 57 0.821 6.930 0.951 1.00 0.00 C ATOM 859 CG PRO A 57 2.131 6.780 1.676 1.00 0.00 C ATOM 860 CD PRO A 57 3.051 7.764 0.956 1.00 0.00 C ATOM 0 HA PRO A 57 0.223 8.565 -0.359 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.022 6.663 1.589 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.774 6.285 0.074 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.034 7.022 2.734 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.509 5.759 1.616 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.797 8.177 1.635 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.593 7.277 0.145 1.00 0.00 H new ATOM 868 N ALA A 58 0.798 9.453 2.751 1.00 0.00 N ATOM 869 CA ALA A 58 0.240 10.231 3.844 1.00 0.00 C ATOM 870 C ALA A 58 -0.170 11.611 3.324 1.00 0.00 C ATOM 871 O ALA A 58 -0.936 12.321 3.974 1.00 0.00 O ATOM 872 CB ALA A 58 1.259 10.316 4.982 1.00 0.00 C ATOM 0 H ALA A 58 1.742 9.103 2.915 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.653 9.749 4.242 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.841 10.900 5.802 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.495 9.312 5.335 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.168 10.797 4.621 1.00 0.00 H new ATOM 878 N ASN A 59 0.359 11.950 2.157 1.00 0.00 N ATOM 879 CA ASN A 59 0.058 13.231 1.543 1.00 0.00 C ATOM 880 C ASN A 59 -1.193 13.093 0.672 1.00 0.00 C ATOM 881 O ASN A 59 -1.736 11.999 0.528 1.00 0.00 O ATOM 882 CB ASN A 59 1.207 13.697 0.648 1.00 0.00 C ATOM 883 CG ASN A 59 1.270 15.225 0.586 1.00 0.00 C ATOM 884 OD1 ASN A 59 0.306 15.923 0.852 1.00 0.00 O ATOM 885 ND2 ASN A 59 2.457 15.703 0.221 1.00 0.00 N ATOM 0 H ASN A 59 0.994 11.359 1.621 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.096 13.958 2.340 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.151 13.306 1.029 1.00 0.00 H new ATOM 0 HB3 ASN A 59 1.077 13.294 -0.356 1.00 0.00 H new ATOM 0 HD21 ASN A 59 2.601 16.710 0.150 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.223 15.062 0.012 1.00 0.00 H new ATOM 892 N VAL A 60 -1.614 14.219 0.115 1.00 0.00 N ATOM 893 CA VAL A 60 -2.791 14.238 -0.737 1.00 0.00 C ATOM 894 C VAL A 60 -2.414 13.731 -2.131 1.00 0.00 C ATOM 895 O VAL A 60 -1.550 14.305 -2.792 1.00 0.00 O ATOM 896 CB VAL A 60 -3.401 15.641 -0.757 1.00 0.00 C ATOM 897 CG1 VAL A 60 -4.471 15.758 -1.844 1.00 0.00 C ATOM 898 CG2 VAL A 60 -3.970 16.010 0.615 1.00 0.00 C ATOM 0 H VAL A 60 -1.161 15.125 0.237 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.558 13.570 -0.343 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.606 16.349 -0.992 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.888 16.765 -1.837 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.024 15.558 -2.818 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.264 15.035 -1.653 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.398 17.012 0.574 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.745 15.295 0.891 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.173 15.986 1.358 1.00 0.00 H new ATOM 908 N GLY A 61 -3.080 12.660 -2.536 1.00 0.00 N ATOM 909 CA GLY A 61 -2.826 12.068 -3.839 1.00 0.00 C ATOM 910 C GLY A 61 -3.624 12.784 -4.931 1.00 0.00 C ATOM 911 O GLY A 61 -4.191 13.849 -4.693 1.00 0.00 O ATOM 0 H GLY A 61 -3.796 12.186 -1.985 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.761 12.123 -4.066 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.094 11.012 -3.821 1.00 0.00 H new ATOM 915 N LYS A 62 -3.642 12.170 -6.104 1.00 0.00 N ATOM 916 CA LYS A 62 -4.361 12.735 -7.234 1.00 0.00 C ATOM 917 C LYS A 62 -4.479 11.681 -8.336 1.00 0.00 C ATOM 918 O LYS A 62 -3.471 11.183 -8.835 1.00 0.00 O ATOM 919 CB LYS A 62 -3.699 14.035 -7.694 1.00 0.00 C ATOM 920 CG LYS A 62 -4.043 14.338 -9.154 1.00 0.00 C ATOM 921 CD LYS A 62 -2.807 14.212 -10.046 1.00 0.00 C ATOM 922 CE LYS A 62 -1.872 15.409 -9.861 1.00 0.00 C ATOM 923 NZ LYS A 62 -1.172 15.720 -11.127 1.00 0.00 N ATOM 0 H LYS A 62 -3.170 11.287 -6.297 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.376 13.007 -6.943 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.028 14.859 -7.061 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.618 13.957 -7.580 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.816 13.652 -9.499 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -4.452 15.345 -9.233 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.275 13.291 -9.808 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.113 14.143 -11.090 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.443 16.277 -9.532 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.144 15.192 -9.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.542 16.535 -10.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.611 14.896 -11.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.871 15.948 -11.863 1.00 0.00 H new ATOM 937 N ASN A 63 -5.720 11.371 -8.684 1.00 0.00 N ATOM 938 CA ASN A 63 -5.983 10.385 -9.719 1.00 0.00 C ATOM 939 C ASN A 63 -5.732 11.013 -11.091 1.00 0.00 C ATOM 940 O ASN A 63 -6.238 12.095 -11.385 1.00 0.00 O ATOM 941 CB ASN A 63 -7.438 9.914 -9.674 1.00 0.00 C ATOM 942 CG ASN A 63 -7.668 8.955 -8.504 1.00 0.00 C ATOM 943 OD1 ASN A 63 -6.744 8.507 -7.844 1.00 0.00 O ATOM 944 ND2 ASN A 63 -8.947 8.666 -8.284 1.00 0.00 N ATOM 0 H ASN A 63 -6.554 11.785 -8.268 1.00 0.00 H new ATOM 0 HA ASN A 63 -5.323 9.534 -9.550 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.100 10.775 -9.579 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.693 9.418 -10.611 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.204 8.035 -7.525 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.671 9.076 -8.874 1.00 0.00 H new ATOM 951 N ILE A 64 -4.950 10.307 -11.895 1.00 0.00 N ATOM 952 CA ILE A 64 -4.626 10.781 -13.230 1.00 0.00 C ATOM 953 C ILE A 64 -5.727 10.352 -14.201 1.00 0.00 C ATOM 954 O ILE A 64 -5.582 10.499 -15.414 1.00 0.00 O ATOM 955 CB ILE A 64 -3.228 10.314 -13.639 1.00 0.00 C ATOM 956 CG1 ILE A 64 -3.252 8.857 -14.106 1.00 0.00 C ATOM 957 CG2 ILE A 64 -2.221 10.538 -12.509 1.00 0.00 C ATOM 958 CD1 ILE A 64 -1.857 8.395 -14.532 1.00 0.00 C ATOM 0 H ILE A 64 -4.531 9.410 -11.647 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.591 11.870 -13.250 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.900 10.918 -14.485 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.620 8.220 -13.302 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.945 8.750 -14.940 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.236 10.197 -12.827 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.177 11.600 -12.266 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.532 9.977 -11.628 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.902 7.356 -14.859 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.502 9.019 -15.352 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.172 8.480 -13.688 1.00 0.00 H new ATOM 970 N VAL A 65 -6.803 9.829 -13.632 1.00 0.00 N ATOM 971 CA VAL A 65 -7.929 9.377 -14.432 1.00 0.00 C ATOM 972 C VAL A 65 -8.928 10.525 -14.594 1.00 0.00 C ATOM 973 O VAL A 65 -9.278 10.894 -15.713 1.00 0.00 O ATOM 974 CB VAL A 65 -8.550 8.128 -13.803 1.00 0.00 C ATOM 975 CG1 VAL A 65 -9.873 7.772 -14.483 1.00 0.00 C ATOM 976 CG2 VAL A 65 -7.576 6.949 -13.849 1.00 0.00 C ATOM 0 H VAL A 65 -6.919 9.708 -12.626 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.598 9.091 -15.430 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.760 8.349 -12.756 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.293 6.881 -14.017 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.572 8.601 -14.376 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.698 7.580 -15.542 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.042 6.074 -13.396 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.321 6.728 -14.885 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.670 7.204 -13.299 1.00 0.00 H new ATOM 986 N THR A 66 -9.357 11.057 -13.459 1.00 0.00 N ATOM 987 CA THR A 66 -10.309 12.155 -13.461 1.00 0.00 C ATOM 988 C THR A 66 -9.618 13.460 -13.062 1.00 0.00 C ATOM 989 O THR A 66 -9.981 14.532 -13.544 1.00 0.00 O ATOM 990 CB THR A 66 -11.470 11.776 -12.539 1.00 0.00 C ATOM 991 OG1 THR A 66 -10.863 11.631 -11.258 1.00 0.00 O ATOM 992 CG2 THR A 66 -12.031 10.386 -12.846 1.00 0.00 C ATOM 0 H THR A 66 -9.063 10.748 -12.532 1.00 0.00 H new ATOM 0 HA THR A 66 -10.711 12.328 -14.459 1.00 0.00 H new ATOM 0 HB THR A 66 -12.264 12.517 -12.632 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.545 11.387 -10.598 1.00 0.00 H new ATOM 0 HG21 THR A 66 -12.852 10.166 -12.164 1.00 0.00 H new ATOM 0 HG22 THR A 66 -12.395 10.359 -13.873 1.00 0.00 H new ATOM 0 HG23 THR A 66 -11.246 9.641 -12.720 1.00 0.00 H new ATOM 1000 N GLY A 67 -8.634 13.328 -12.184 1.00 0.00 N ATOM 1001 CA GLY A 67 -7.889 14.483 -11.715 1.00 0.00 C ATOM 1002 C GLY A 67 -8.687 15.261 -10.667 1.00 0.00 C ATOM 1003 O GLY A 67 -8.635 16.490 -10.628 1.00 0.00 O ATOM 0 H GLY A 67 -8.336 12.438 -11.785 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -6.940 14.159 -11.288 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.654 15.135 -12.556 1.00 0.00 H new ATOM 1007 N LYS A 68 -9.406 14.514 -9.842 1.00 0.00 N ATOM 1008 CA LYS A 68 -10.214 15.119 -8.797 1.00 0.00 C ATOM 1009 C LYS A 68 -9.325 15.439 -7.593 1.00 0.00 C ATOM 1010 O LYS A 68 -8.700 16.497 -7.543 1.00 0.00 O ATOM 1011 CB LYS A 68 -11.408 14.225 -8.458 1.00 0.00 C ATOM 1012 CG LYS A 68 -12.554 14.444 -9.448 1.00 0.00 C ATOM 1013 CD LYS A 68 -13.880 14.658 -8.715 1.00 0.00 C ATOM 1014 CE LYS A 68 -14.551 13.321 -8.394 1.00 0.00 C ATOM 1015 NZ LYS A 68 -15.906 13.266 -8.988 1.00 0.00 N ATOM 0 H LYS A 68 -9.446 13.495 -9.876 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.639 16.062 -9.141 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.101 13.179 -8.477 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -11.751 14.438 -7.446 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.337 15.309 -10.075 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.636 13.583 -10.111 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -13.705 15.212 -7.793 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -14.545 15.265 -9.329 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -13.945 12.501 -8.779 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.615 13.189 -7.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -16.348 12.352 -8.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -16.486 14.037 -8.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -15.837 13.370 -10.020 1.00 0.00 H new ATOM 1029 N GLU A 69 -9.298 14.506 -6.653 1.00 0.00 N ATOM 1030 CA GLU A 69 -8.497 14.675 -5.453 1.00 0.00 C ATOM 1031 C GLU A 69 -8.606 13.437 -4.562 1.00 0.00 C ATOM 1032 O GLU A 69 -9.705 13.046 -4.169 1.00 0.00 O ATOM 1033 CB GLU A 69 -8.909 15.937 -4.692 1.00 0.00 C ATOM 1034 CG GLU A 69 -10.196 15.702 -3.898 1.00 0.00 C ATOM 1035 CD GLU A 69 -10.678 16.996 -3.239 1.00 0.00 C ATOM 1036 OE1 GLU A 69 -10.869 17.977 -3.988 1.00 0.00 O ATOM 1037 OE2 GLU A 69 -10.843 16.974 -2.000 1.00 0.00 O ATOM 0 H GLU A 69 -9.818 13.630 -6.698 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.455 14.793 -5.750 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.109 16.235 -4.015 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.055 16.758 -5.394 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.971 15.317 -4.561 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.023 14.943 -3.135 1.00 0.00 H new ATOM 1044 N ILE A 70 -7.453 12.854 -4.269 1.00 0.00 N ATOM 1045 CA ILE A 70 -7.406 11.667 -3.431 1.00 0.00 C ATOM 1046 C ILE A 70 -6.719 12.009 -2.108 1.00 0.00 C ATOM 1047 O ILE A 70 -5.496 12.038 -1.995 1.00 0.00 O ATOM 1048 CB ILE A 70 -6.750 10.507 -4.182 1.00 0.00 C ATOM 1049 CG1 ILE A 70 -7.329 10.369 -5.592 1.00 0.00 C ATOM 1050 CG2 ILE A 70 -6.864 9.205 -3.387 1.00 0.00 C ATOM 1051 CD1 ILE A 70 -8.509 9.396 -5.608 1.00 0.00 C ATOM 0 H ILE A 70 -6.544 13.181 -4.597 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.414 11.331 -3.190 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.688 10.727 -4.290 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.653 11.345 -5.953 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.555 10.018 -6.274 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.390 8.396 -3.943 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.368 9.322 -2.424 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.916 8.967 -3.227 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -8.901 9.317 -6.622 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.176 8.415 -5.270 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.292 9.762 -4.944 1.00 0.00 H new ATOM 1063 N PRO A 71 -7.547 12.272 -1.094 1.00 0.00 N ATOM 1064 CA PRO A 71 -7.115 12.617 0.244 1.00 0.00 C ATOM 1065 C PRO A 71 -6.065 11.620 0.714 1.00 0.00 C ATOM 1066 O PRO A 71 -5.869 10.581 0.087 1.00 0.00 O ATOM 1067 CB PRO A 71 -8.378 12.525 1.099 1.00 0.00 C ATOM 1068 CG PRO A 71 -9.484 12.846 0.125 1.00 0.00 C ATOM 1069 CD PRO A 71 -8.991 12.248 -1.191 1.00 0.00 C ATOM 0 HA PRO A 71 -6.663 13.607 0.302 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -8.499 11.532 1.531 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -8.355 13.233 1.928 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -10.431 12.405 0.435 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -9.645 13.921 0.041 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -9.361 11.232 -1.326 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -9.339 12.830 -2.044 1.00 0.00 H new ATOM 1077 N PRO A 72 -5.388 11.941 1.819 1.00 0.00 N ATOM 1078 CA PRO A 72 -4.356 11.117 2.411 1.00 0.00 C ATOM 1079 C PRO A 72 -4.741 9.650 2.290 1.00 0.00 C ATOM 1080 O PRO A 72 -5.873 9.304 2.624 1.00 0.00 O ATOM 1081 CB PRO A 72 -4.301 11.550 3.874 1.00 0.00 C ATOM 1082 CG PRO A 72 -4.796 12.953 3.866 1.00 0.00 C ATOM 1083 CD PRO A 72 -5.594 13.154 2.580 1.00 0.00 C ATOM 0 HA PRO A 72 -3.389 11.233 1.922 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -4.925 10.913 4.500 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -3.287 11.489 4.268 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.421 13.143 4.738 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -3.962 13.653 3.913 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.651 13.312 2.792 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.245 14.029 2.031 1.00 0.00 H new ATOM 1091 N LEU A 73 -3.813 8.829 1.822 1.00 0.00 N ATOM 1092 CA LEU A 73 -4.079 7.409 1.665 1.00 0.00 C ATOM 1093 C LEU A 73 -3.753 6.686 2.974 1.00 0.00 C ATOM 1094 O LEU A 73 -4.376 5.678 3.302 1.00 0.00 O ATOM 1095 CB LEU A 73 -3.330 6.853 0.453 1.00 0.00 C ATOM 1096 CG LEU A 73 -3.174 5.332 0.400 1.00 0.00 C ATOM 1097 CD1 LEU A 73 -4.387 4.680 -0.267 1.00 0.00 C ATOM 1098 CD2 LEU A 73 -1.863 4.939 -0.285 1.00 0.00 C ATOM 0 H LEU A 73 -2.875 9.120 1.546 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.136 7.240 1.461 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.849 7.177 -0.449 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.337 7.301 0.428 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.128 4.957 1.422 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.251 3.599 -0.292 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.287 4.920 0.300 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.489 5.057 -1.285 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.777 3.853 -0.310 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.854 5.327 -1.304 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.023 5.357 0.270 1.00 0.00 H new ATOM 1110 N ALA A 74 -2.776 7.230 3.685 1.00 0.00 N ATOM 1111 CA ALA A 74 -2.360 6.650 4.951 1.00 0.00 C ATOM 1112 C ALA A 74 -3.590 6.135 5.700 1.00 0.00 C ATOM 1113 O ALA A 74 -4.311 6.879 6.361 1.00 0.00 O ATOM 1114 CB ALA A 74 -1.579 7.689 5.757 1.00 0.00 C ATOM 0 H ALA A 74 -2.261 8.066 3.409 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.697 5.801 4.784 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.267 7.254 6.706 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.699 8.000 5.194 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.213 8.555 5.946 1.00 0.00 H new ATOM 1120 N PRO A 75 -3.816 4.824 5.580 1.00 0.00 N ATOM 1121 CA PRO A 75 -4.919 4.126 6.204 1.00 0.00 C ATOM 1122 C PRO A 75 -4.794 4.223 7.718 1.00 0.00 C ATOM 1123 O PRO A 75 -5.784 3.997 8.412 1.00 0.00 O ATOM 1124 CB PRO A 75 -4.783 2.679 5.735 1.00 0.00 C ATOM 1125 CG PRO A 75 -3.883 2.715 4.526 1.00 0.00 C ATOM 1126 CD PRO A 75 -2.989 3.920 4.811 1.00 0.00 C ATOM 0 HA PRO A 75 -5.890 4.543 5.938 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -4.357 2.053 6.519 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -5.756 2.257 5.484 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.305 1.797 4.424 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.449 2.840 3.603 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.099 3.628 5.368 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -2.648 4.386 3.887 1.00 0.00 H new ATOM 1134 N ARG A 76 -3.602 4.550 8.195 1.00 0.00 N ATOM 1135 CA ARG A 76 -3.375 4.668 9.626 1.00 0.00 C ATOM 1136 C ARG A 76 -3.553 6.120 10.074 1.00 0.00 C ATOM 1137 O ARG A 76 -4.126 6.381 11.130 1.00 0.00 O ATOM 1138 CB ARG A 76 -1.970 4.194 10.001 1.00 0.00 C ATOM 1139 CG ARG A 76 -1.907 3.775 11.471 1.00 0.00 C ATOM 1140 CD ARG A 76 -0.566 4.166 12.096 1.00 0.00 C ATOM 1141 NE ARG A 76 -0.231 3.237 13.198 1.00 0.00 N ATOM 1142 CZ ARG A 76 0.989 3.125 13.741 1.00 0.00 C ATOM 1143 NH1 ARG A 76 1.996 3.884 13.289 1.00 0.00 N ATOM 1144 NH2 ARG A 76 1.202 2.254 14.738 1.00 0.00 N ATOM 0 H ARG A 76 -2.783 4.737 7.616 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.106 4.037 10.131 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.684 3.354 9.367 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.251 4.992 9.816 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.720 4.247 12.022 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.050 2.697 11.552 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.218 4.143 11.339 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.615 5.188 12.473 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.975 2.645 13.567 1.00 0.00 H new ATOM 0 HH11 ARG A 76 1.834 4.547 12.531 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.924 3.799 13.703 1.00 0.00 H new ATOM 0 HH21 ARG A 76 0.435 1.677 15.083 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.131 2.169 15.151 1.00 0.00 H new ATOM 1158 N VAL A 77 -3.051 7.026 9.248 1.00 0.00 N ATOM 1159 CA VAL A 77 -3.147 8.445 9.546 1.00 0.00 C ATOM 1160 C VAL A 77 -4.621 8.839 9.659 1.00 0.00 C ATOM 1161 O VAL A 77 -4.992 9.628 10.527 1.00 0.00 O ATOM 1162 CB VAL A 77 -2.392 9.254 8.490 1.00 0.00 C ATOM 1163 CG1 VAL A 77 -2.740 10.741 8.585 1.00 0.00 C ATOM 1164 CG2 VAL A 77 -0.882 9.036 8.608 1.00 0.00 C ATOM 0 H VAL A 77 -2.577 6.805 8.373 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.676 8.667 10.504 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.706 8.899 7.509 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.190 11.293 7.823 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.810 10.875 8.428 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.468 11.116 9.572 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.369 9.622 7.846 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.545 9.351 9.596 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.655 7.979 8.467 1.00 0.00 H new ATOM 1174 N ASN A 78 -5.423 8.272 8.769 1.00 0.00 N ATOM 1175 CA ASN A 78 -6.848 8.554 8.758 1.00 0.00 C ATOM 1176 C ASN A 78 -7.580 7.492 9.580 1.00 0.00 C ATOM 1177 O ASN A 78 -7.309 6.300 9.444 1.00 0.00 O ATOM 1178 CB ASN A 78 -7.406 8.517 7.334 1.00 0.00 C ATOM 1179 CG ASN A 78 -6.432 9.163 6.346 1.00 0.00 C ATOM 1180 OD1 ASN A 78 -5.378 9.658 6.708 1.00 0.00 O ATOM 1181 ND2 ASN A 78 -6.844 9.132 5.082 1.00 0.00 N ATOM 0 H ASN A 78 -5.112 7.618 8.050 1.00 0.00 H new ATOM 0 HA ASN A 78 -6.998 9.548 9.178 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.596 7.484 7.041 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -8.363 9.039 7.301 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -6.266 9.539 4.347 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -7.738 8.701 4.848 1.00 0.00 H new ATOM 1188 N THR A 79 -8.494 7.963 10.416 1.00 0.00 N ATOM 1189 CA THR A 79 -9.267 7.069 11.261 1.00 0.00 C ATOM 1190 C THR A 79 -10.443 6.481 10.479 1.00 0.00 C ATOM 1191 O THR A 79 -11.145 5.601 10.975 1.00 0.00 O ATOM 1192 CB THR A 79 -9.694 7.847 12.507 1.00 0.00 C ATOM 1193 OG1 THR A 79 -10.218 9.068 11.992 1.00 0.00 O ATOM 1194 CG2 THR A 79 -8.502 8.284 13.361 1.00 0.00 C ATOM 0 H THR A 79 -8.716 8.952 10.526 1.00 0.00 H new ATOM 0 HA THR A 79 -8.671 6.215 11.582 1.00 0.00 H new ATOM 0 HB THR A 79 -10.364 7.232 13.107 1.00 0.00 H new ATOM 0 HG1 THR A 79 -9.555 9.781 12.103 1.00 0.00 H new ATOM 0 HG21 THR A 79 -8.860 8.832 14.232 1.00 0.00 H new ATOM 0 HG22 THR A 79 -7.947 7.405 13.688 1.00 0.00 H new ATOM 0 HG23 THR A 79 -7.848 8.927 12.772 1.00 0.00 H new ATOM 1202 N LYS A 80 -10.623 6.992 9.270 1.00 0.00 N ATOM 1203 CA LYS A 80 -11.702 6.528 8.414 1.00 0.00 C ATOM 1204 C LYS A 80 -11.120 5.692 7.273 1.00 0.00 C ATOM 1205 O LYS A 80 -11.521 5.844 6.120 1.00 0.00 O ATOM 1206 CB LYS A 80 -12.554 7.707 7.940 1.00 0.00 C ATOM 1207 CG LYS A 80 -13.926 7.700 8.617 1.00 0.00 C ATOM 1208 CD LYS A 80 -14.992 7.112 7.690 1.00 0.00 C ATOM 1209 CE LYS A 80 -15.182 5.616 7.952 1.00 0.00 C ATOM 1210 NZ LYS A 80 -16.518 5.357 8.532 1.00 0.00 N ATOM 0 H LYS A 80 -10.040 7.723 8.863 1.00 0.00 H new ATOM 0 HA LYS A 80 -12.378 5.879 8.971 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -12.041 8.643 8.160 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -12.678 7.659 6.858 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -13.878 7.118 9.537 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -14.203 8.717 8.897 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -15.937 7.634 7.840 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -14.702 7.269 6.651 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -15.069 5.061 7.021 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.408 5.259 8.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -16.630 4.337 8.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -16.612 5.872 9.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -17.252 5.680 7.870 1.00 0.00 H new ATOM 1224 N ARG A 81 -10.182 4.829 7.634 1.00 0.00 N ATOM 1225 CA ARG A 81 -9.540 3.969 6.654 1.00 0.00 C ATOM 1226 C ARG A 81 -9.217 2.607 7.273 1.00 0.00 C ATOM 1227 O ARG A 81 -9.370 2.418 8.479 1.00 0.00 O ATOM 1228 CB ARG A 81 -8.250 4.601 6.128 1.00 0.00 C ATOM 1229 CG ARG A 81 -8.553 5.814 5.246 1.00 0.00 C ATOM 1230 CD ARG A 81 -8.782 5.392 3.793 1.00 0.00 C ATOM 1231 NE ARG A 81 -8.628 6.559 2.897 1.00 0.00 N ATOM 1232 CZ ARG A 81 -9.619 7.409 2.593 1.00 0.00 C ATOM 1233 NH1 ARG A 81 -10.841 7.226 3.112 1.00 0.00 N ATOM 1234 NH2 ARG A 81 -9.388 8.441 1.771 1.00 0.00 N ATOM 0 H ARG A 81 -9.851 4.707 8.591 1.00 0.00 H new ATOM 0 HA ARG A 81 -10.233 3.839 5.823 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.622 4.904 6.966 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.686 3.863 5.557 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.436 6.330 5.622 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -7.725 6.521 5.297 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -8.071 4.614 3.515 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -9.780 4.967 3.682 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.710 6.727 2.485 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -11.017 6.440 3.738 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -11.595 7.873 2.881 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.458 8.580 1.376 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -10.142 9.088 1.540 1.00 0.00 H new ATOM 1248 N PHE A 82 -8.776 1.695 6.420 1.00 0.00 N ATOM 1249 CA PHE A 82 -8.430 0.356 6.869 1.00 0.00 C ATOM 1250 C PHE A 82 -9.379 -0.114 7.973 1.00 0.00 C ATOM 1251 O PHE A 82 -8.958 -0.326 9.109 1.00 0.00 O ATOM 1252 CB PHE A 82 -7.009 0.426 7.429 1.00 0.00 C ATOM 1253 CG PHE A 82 -5.926 -0.004 6.437 1.00 0.00 C ATOM 1254 CD1 PHE A 82 -6.180 0.022 5.101 1.00 0.00 C ATOM 1255 CD2 PHE A 82 -4.711 -0.411 6.890 1.00 0.00 C ATOM 1256 CE1 PHE A 82 -5.176 -0.377 4.179 1.00 0.00 C ATOM 1257 CE2 PHE A 82 -3.706 -0.810 5.969 1.00 0.00 C ATOM 1258 CZ PHE A 82 -3.960 -0.785 4.633 1.00 0.00 C ATOM 0 H PHE A 82 -8.650 1.856 5.421 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.506 -0.346 6.039 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -6.807 1.447 7.751 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -6.947 -0.206 8.315 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -7.145 0.346 4.741 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.510 -0.431 7.951 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.378 -0.357 3.118 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.741 -1.133 6.329 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.196 -1.089 3.932 1.00 0.00 H new ATOM 1268 N THR A 83 -10.642 -0.264 7.600 1.00 0.00 N ATOM 1269 CA THR A 83 -11.653 -0.705 8.545 1.00 0.00 C ATOM 1270 C THR A 83 -11.962 -2.190 8.341 1.00 0.00 C ATOM 1271 O THR A 83 -11.712 -3.007 9.226 1.00 0.00 O ATOM 1272 CB THR A 83 -12.878 0.198 8.383 1.00 0.00 C ATOM 1273 OG1 THR A 83 -12.347 1.519 8.459 1.00 0.00 O ATOM 1274 CG2 THR A 83 -13.832 0.111 9.576 1.00 0.00 C ATOM 0 H THR A 83 -10.988 -0.088 6.657 1.00 0.00 H new ATOM 0 HA THR A 83 -11.299 -0.617 9.572 1.00 0.00 H new ATOM 0 HB THR A 83 -13.411 -0.073 7.472 1.00 0.00 H new ATOM 0 HG1 THR A 83 -13.073 2.170 8.362 1.00 0.00 H new ATOM 0 HG21 THR A 83 -14.684 0.771 9.410 1.00 0.00 H new ATOM 0 HG22 THR A 83 -14.184 -0.915 9.686 1.00 0.00 H new ATOM 0 HG23 THR A 83 -13.309 0.415 10.483 1.00 0.00 H new ATOM 1282 N ASP A 84 -12.502 -2.493 7.170 1.00 0.00 N ATOM 1283 CA ASP A 84 -12.847 -3.865 6.838 1.00 0.00 C ATOM 1284 C ASP A 84 -11.584 -4.616 6.413 1.00 0.00 C ATOM 1285 O ASP A 84 -10.663 -4.023 5.854 1.00 0.00 O ATOM 1286 CB ASP A 84 -13.842 -3.917 5.677 1.00 0.00 C ATOM 1287 CG ASP A 84 -14.471 -5.289 5.425 1.00 0.00 C ATOM 1288 OD1 ASP A 84 -14.298 -6.162 6.302 1.00 0.00 O ATOM 1289 OD2 ASP A 84 -15.111 -5.433 4.361 1.00 0.00 O ATOM 0 H ASP A 84 -12.709 -1.812 6.439 1.00 0.00 H new ATOM 0 HA ASP A 84 -13.297 -4.322 7.719 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -14.639 -3.198 5.869 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -13.334 -3.595 4.768 1.00 0.00 H new ATOM 1294 N ILE A 85 -11.581 -5.911 6.695 1.00 0.00 N ATOM 1295 CA ILE A 85 -10.446 -6.749 6.349 1.00 0.00 C ATOM 1296 C ILE A 85 -10.827 -7.659 5.180 1.00 0.00 C ATOM 1297 O ILE A 85 -10.067 -7.797 4.222 1.00 0.00 O ATOM 1298 CB ILE A 85 -9.945 -7.508 7.580 1.00 0.00 C ATOM 1299 CG1 ILE A 85 -9.340 -6.548 8.606 1.00 0.00 C ATOM 1300 CG2 ILE A 85 -8.965 -8.613 7.181 1.00 0.00 C ATOM 1301 CD1 ILE A 85 -10.265 -6.382 9.813 1.00 0.00 C ATOM 0 H ILE A 85 -12.347 -6.400 7.159 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.608 -6.136 6.017 1.00 0.00 H new ATOM 0 HB ILE A 85 -10.799 -7.991 8.055 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.371 -6.924 8.935 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -9.164 -5.578 8.142 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.624 -9.137 8.074 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -9.463 -9.318 6.515 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.109 -8.173 6.670 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -9.811 -5.695 10.527 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -11.224 -5.983 9.484 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -10.419 -7.350 10.289 1.00 0.00 H new ATOM 1313 N ASP A 86 -12.005 -8.257 5.295 1.00 0.00 N ATOM 1314 CA ASP A 86 -12.496 -9.149 4.260 1.00 0.00 C ATOM 1315 C ASP A 86 -12.277 -8.504 2.890 1.00 0.00 C ATOM 1316 O ASP A 86 -11.466 -8.981 2.097 1.00 0.00 O ATOM 1317 CB ASP A 86 -13.994 -9.412 4.424 1.00 0.00 C ATOM 1318 CG ASP A 86 -14.664 -10.103 3.235 1.00 0.00 C ATOM 1319 OD1 ASP A 86 -14.125 -11.148 2.809 1.00 0.00 O ATOM 1320 OD2 ASP A 86 -15.699 -9.572 2.779 1.00 0.00 O ATOM 0 H ASP A 86 -12.633 -8.140 6.090 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.953 -10.091 4.342 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.145 -10.025 5.313 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.497 -8.462 4.603 1.00 0.00 H new ATOM 1325 N LYS A 87 -13.013 -7.428 2.653 1.00 0.00 N ATOM 1326 CA LYS A 87 -12.910 -6.712 1.393 1.00 0.00 C ATOM 1327 C LYS A 87 -11.443 -6.367 1.127 1.00 0.00 C ATOM 1328 O LYS A 87 -10.856 -6.845 0.158 1.00 0.00 O ATOM 1329 CB LYS A 87 -13.838 -5.496 1.390 1.00 0.00 C ATOM 1330 CG LYS A 87 -15.106 -5.776 0.581 1.00 0.00 C ATOM 1331 CD LYS A 87 -16.128 -6.551 1.414 1.00 0.00 C ATOM 1332 CE LYS A 87 -17.039 -7.395 0.520 1.00 0.00 C ATOM 1333 NZ LYS A 87 -16.374 -8.666 0.156 1.00 0.00 N ATOM 0 H LYS A 87 -13.684 -7.034 3.313 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.245 -7.341 0.568 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.106 -5.236 2.414 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -13.316 -4.637 0.969 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -15.543 -4.835 0.246 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -14.853 -6.346 -0.313 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.610 -7.196 2.123 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -16.730 -5.854 1.998 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -17.975 -7.603 1.038 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -17.291 -6.838 -0.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -17.046 -9.277 -0.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -15.558 -8.468 -0.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -16.050 -9.148 1.019 1.00 0.00 H new ATOM 1347 N VAL A 88 -10.894 -5.540 2.004 1.00 0.00 N ATOM 1348 CA VAL A 88 -9.507 -5.125 1.876 1.00 0.00 C ATOM 1349 C VAL A 88 -8.660 -6.322 1.439 1.00 0.00 C ATOM 1350 O VAL A 88 -7.651 -6.156 0.756 1.00 0.00 O ATOM 1351 CB VAL A 88 -9.025 -4.498 3.185 1.00 0.00 C ATOM 1352 CG1 VAL A 88 -7.746 -5.176 3.680 1.00 0.00 C ATOM 1353 CG2 VAL A 88 -8.821 -2.990 3.029 1.00 0.00 C ATOM 0 H VAL A 88 -11.385 -5.146 2.807 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.407 -4.358 1.108 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.799 -4.655 3.936 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.425 -4.711 4.612 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.938 -6.235 3.850 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.962 -5.065 2.931 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -8.478 -2.569 3.974 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -8.075 -2.802 2.257 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -9.764 -2.523 2.745 1.00 0.00 H new ATOM 1363 N GLU A 89 -9.103 -7.501 1.850 1.00 0.00 N ATOM 1364 CA GLU A 89 -8.398 -8.725 1.509 1.00 0.00 C ATOM 1365 C GLU A 89 -8.745 -9.159 0.084 1.00 0.00 C ATOM 1366 O GLU A 89 -9.163 -10.294 -0.140 1.00 0.00 O ATOM 1367 CB GLU A 89 -8.713 -9.837 2.512 1.00 0.00 C ATOM 1368 CG GLU A 89 -7.650 -10.936 2.464 1.00 0.00 C ATOM 1369 CD GLU A 89 -7.425 -11.543 3.851 1.00 0.00 C ATOM 1370 OE1 GLU A 89 -6.581 -10.984 4.584 1.00 0.00 O ATOM 1371 OE2 GLU A 89 -8.102 -12.551 4.146 1.00 0.00 O ATOM 0 H GLU A 89 -9.941 -7.635 2.416 1.00 0.00 H new ATOM 0 HA GLU A 89 -7.327 -8.529 1.558 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.765 -9.420 3.518 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -9.692 -10.263 2.292 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.959 -11.716 1.768 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.714 -10.525 2.087 1.00 0.00 H new ATOM 1378 N ASP A 90 -8.559 -8.231 -0.845 1.00 0.00 N ATOM 1379 CA ASP A 90 -8.848 -8.503 -2.242 1.00 0.00 C ATOM 1380 C ASP A 90 -8.578 -7.244 -3.069 1.00 0.00 C ATOM 1381 O ASP A 90 -7.880 -7.299 -4.080 1.00 0.00 O ATOM 1382 CB ASP A 90 -10.315 -8.891 -2.437 1.00 0.00 C ATOM 1383 CG ASP A 90 -10.620 -9.634 -3.738 1.00 0.00 C ATOM 1384 OD1 ASP A 90 -9.665 -10.213 -4.299 1.00 0.00 O ATOM 1385 OD2 ASP A 90 -11.803 -9.607 -4.143 1.00 0.00 O ATOM 0 H ASP A 90 -8.212 -7.291 -0.656 1.00 0.00 H new ATOM 0 HA ASP A 90 -8.212 -9.328 -2.563 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.624 -9.515 -1.599 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -10.922 -7.986 -2.402 1.00 0.00 H new ATOM 1390 N GLU A 91 -9.145 -6.140 -2.607 1.00 0.00 N ATOM 1391 CA GLU A 91 -8.974 -4.869 -3.291 1.00 0.00 C ATOM 1392 C GLU A 91 -7.487 -4.561 -3.475 1.00 0.00 C ATOM 1393 O GLU A 91 -7.117 -3.761 -4.333 1.00 0.00 O ATOM 1394 CB GLU A 91 -9.678 -3.740 -2.535 1.00 0.00 C ATOM 1395 CG GLU A 91 -11.188 -3.772 -2.783 1.00 0.00 C ATOM 1396 CD GLU A 91 -11.578 -2.809 -3.906 1.00 0.00 C ATOM 1397 OE1 GLU A 91 -11.598 -1.590 -3.628 1.00 0.00 O ATOM 1398 OE2 GLU A 91 -11.849 -3.313 -5.017 1.00 0.00 O ATOM 0 H GLU A 91 -9.723 -6.099 -1.768 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.434 -4.944 -4.276 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.479 -3.833 -1.467 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.274 -2.778 -2.852 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.496 -4.785 -3.044 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.716 -3.503 -1.868 1.00 0.00 H new ATOM 1405 N PHE A 92 -6.674 -5.212 -2.656 1.00 0.00 N ATOM 1406 CA PHE A 92 -5.236 -5.018 -2.718 1.00 0.00 C ATOM 1407 C PHE A 92 -4.616 -5.865 -3.830 1.00 0.00 C ATOM 1408 O PHE A 92 -3.610 -5.478 -4.424 1.00 0.00 O ATOM 1409 CB PHE A 92 -4.665 -5.468 -1.372 1.00 0.00 C ATOM 1410 CG PHE A 92 -3.875 -4.383 -0.637 1.00 0.00 C ATOM 1411 CD1 PHE A 92 -2.942 -3.652 -1.304 1.00 0.00 C ATOM 1412 CD2 PHE A 92 -4.105 -4.150 0.683 1.00 0.00 C ATOM 1413 CE1 PHE A 92 -2.208 -2.645 -0.622 1.00 0.00 C ATOM 1414 CE2 PHE A 92 -3.371 -3.144 1.365 1.00 0.00 C ATOM 1415 CZ PHE A 92 -2.438 -2.412 0.698 1.00 0.00 C ATOM 0 H PHE A 92 -6.984 -5.875 -1.946 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.011 -3.972 -2.926 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.484 -5.801 -0.735 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.016 -6.329 -1.534 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.759 -3.837 -2.352 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.846 -4.730 1.213 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.467 -2.064 -1.152 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.553 -2.960 2.413 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.880 -1.646 1.217 1.00 0.00 H new ATOM 1425 N THR A 93 -5.241 -7.006 -4.080 1.00 0.00 N ATOM 1426 CA THR A 93 -4.763 -7.912 -5.110 1.00 0.00 C ATOM 1427 C THR A 93 -5.307 -7.498 -6.479 1.00 0.00 C ATOM 1428 O THR A 93 -4.614 -7.615 -7.488 1.00 0.00 O ATOM 1429 CB THR A 93 -5.154 -9.336 -4.707 1.00 0.00 C ATOM 1430 OG1 THR A 93 -4.047 -9.794 -3.935 1.00 0.00 O ATOM 1431 CG2 THR A 93 -5.197 -10.292 -5.901 1.00 0.00 C ATOM 0 H THR A 93 -6.075 -7.324 -3.586 1.00 0.00 H new ATOM 0 HA THR A 93 -3.677 -7.870 -5.200 1.00 0.00 H new ATOM 0 HB THR A 93 -6.129 -9.321 -4.220 1.00 0.00 H new ATOM 0 HG1 THR A 93 -4.217 -10.710 -3.631 1.00 0.00 H new ATOM 0 HG21 THR A 93 -5.479 -11.288 -5.560 1.00 0.00 H new ATOM 0 HG22 THR A 93 -5.929 -9.936 -6.626 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.213 -10.334 -6.369 1.00 0.00 H new ATOM 1439 N LYS A 94 -6.543 -7.021 -6.469 1.00 0.00 N ATOM 1440 CA LYS A 94 -7.188 -6.588 -7.697 1.00 0.00 C ATOM 1441 C LYS A 94 -6.492 -5.329 -8.217 1.00 0.00 C ATOM 1442 O LYS A 94 -6.417 -5.103 -9.423 1.00 0.00 O ATOM 1443 CB LYS A 94 -8.693 -6.413 -7.479 1.00 0.00 C ATOM 1444 CG LYS A 94 -9.318 -7.693 -6.920 1.00 0.00 C ATOM 1445 CD LYS A 94 -9.959 -8.522 -8.034 1.00 0.00 C ATOM 1446 CE LYS A 94 -9.156 -9.797 -8.301 1.00 0.00 C ATOM 1447 NZ LYS A 94 -10.059 -10.912 -8.664 1.00 0.00 N ATOM 0 H LYS A 94 -7.115 -6.925 -5.630 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.087 -7.351 -8.469 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -8.871 -5.587 -6.791 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.173 -6.151 -8.422 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.554 -8.284 -6.415 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -10.070 -7.439 -6.173 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.980 -8.783 -7.756 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -10.018 -7.928 -8.946 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -8.442 -9.622 -9.106 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -8.579 -10.062 -7.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -9.498 -11.769 -8.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -10.723 -11.089 -7.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -10.591 -10.662 -9.522 1.00 0.00 H new ATOM 1461 N HIS A 95 -5.993 -4.530 -7.273 1.00 0.00 N ATOM 1462 CA HIS A 95 -5.296 -3.286 -7.577 1.00 0.00 C ATOM 1463 C HIS A 95 -3.992 -3.592 -8.338 1.00 0.00 C ATOM 1464 O HIS A 95 -3.774 -3.132 -9.457 1.00 0.00 O ATOM 1465 CB HIS A 95 -5.097 -2.496 -6.275 1.00 0.00 C ATOM 1466 CG HIS A 95 -4.671 -1.053 -6.413 1.00 0.00 C ATOM 1467 ND1 HIS A 95 -4.623 -0.427 -7.593 1.00 0.00 N ATOM 1468 CD2 HIS A 95 -4.274 -0.131 -5.474 1.00 0.00 C ATOM 1469 CE1 HIS A 95 -4.212 0.836 -7.397 1.00 0.00 C ATOM 1470 NE2 HIS A 95 -3.983 1.072 -6.106 1.00 0.00 N ATOM 0 H HIS A 95 -6.062 -4.730 -6.275 1.00 0.00 H new ATOM 0 HA HIS A 95 -5.884 -2.652 -8.241 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -6.032 -2.522 -5.715 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -4.351 -3.015 -5.673 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -4.860 -0.841 -8.495 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -4.200 -0.313 -4.412 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -4.084 1.565 -8.183 1.00 0.00 H new ATOM 1478 N CYS A 96 -3.130 -4.384 -7.697 1.00 0.00 N ATOM 1479 CA CYS A 96 -1.860 -4.768 -8.279 1.00 0.00 C ATOM 1480 C CYS A 96 -2.096 -5.427 -9.630 1.00 0.00 C ATOM 1481 O CYS A 96 -1.180 -5.438 -10.451 1.00 0.00 O ATOM 1482 CB CYS A 96 -1.132 -5.717 -7.331 1.00 0.00 C ATOM 1483 SG CYS A 96 -0.179 -4.737 -6.145 1.00 0.00 S ATOM 0 H CYS A 96 -3.298 -4.770 -6.768 1.00 0.00 H new ATOM 0 HA CYS A 96 -1.240 -3.885 -8.430 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -1.848 -6.351 -6.808 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -0.471 -6.378 -7.892 1.00 0.00 H new ATOM 1488 N ASN A 97 -3.294 -5.956 -9.835 1.00 0.00 N ATOM 1489 CA ASN A 97 -3.619 -6.609 -11.091 1.00 0.00 C ATOM 1490 C ASN A 97 -4.035 -5.553 -12.117 1.00 0.00 C ATOM 1491 O ASN A 97 -4.121 -5.840 -13.310 1.00 0.00 O ATOM 1492 CB ASN A 97 -4.784 -7.585 -10.919 1.00 0.00 C ATOM 1493 CG ASN A 97 -4.307 -9.034 -11.037 1.00 0.00 C ATOM 1494 OD1 ASN A 97 -3.886 -9.493 -12.086 1.00 0.00 O ATOM 1495 ND2 ASN A 97 -4.395 -9.727 -9.905 1.00 0.00 N ATOM 0 H ASN A 97 -4.051 -5.945 -9.152 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.737 -7.155 -11.425 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.252 -7.430 -9.947 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.544 -7.386 -11.674 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -4.101 -10.703 -9.880 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -4.757 -9.282 -9.061 1.00 0.00 H new ATOM 1502 N ASP A 98 -4.282 -4.352 -11.615 1.00 0.00 N ATOM 1503 CA ASP A 98 -4.687 -3.251 -12.473 1.00 0.00 C ATOM 1504 C ASP A 98 -3.623 -2.153 -12.423 1.00 0.00 C ATOM 1505 O ASP A 98 -3.812 -1.074 -12.983 1.00 0.00 O ATOM 1506 CB ASP A 98 -6.012 -2.647 -12.005 1.00 0.00 C ATOM 1507 CG ASP A 98 -7.209 -2.928 -12.915 1.00 0.00 C ATOM 1508 OD1 ASP A 98 -7.025 -2.813 -14.146 1.00 0.00 O ATOM 1509 OD2 ASP A 98 -8.281 -3.253 -12.360 1.00 0.00 O ATOM 0 H ASP A 98 -4.210 -4.117 -10.625 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.805 -3.638 -13.485 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.235 -3.028 -11.008 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.890 -1.568 -11.914 1.00 0.00 H new ATOM 1514 N ILE A 99 -2.527 -2.465 -11.747 1.00 0.00 N ATOM 1515 CA ILE A 99 -1.433 -1.518 -11.616 1.00 0.00 C ATOM 1516 C ILE A 99 -0.156 -2.139 -12.187 1.00 0.00 C ATOM 1517 O ILE A 99 0.516 -1.532 -13.019 1.00 0.00 O ATOM 1518 CB ILE A 99 -1.295 -1.055 -10.165 1.00 0.00 C ATOM 1519 CG1 ILE A 99 -2.596 -0.421 -9.667 1.00 0.00 C ATOM 1520 CG2 ILE A 99 -0.100 -0.115 -10.000 1.00 0.00 C ATOM 1521 CD1 ILE A 99 -2.812 0.956 -10.298 1.00 0.00 C ATOM 0 H ILE A 99 -2.373 -3.361 -11.284 1.00 0.00 H new ATOM 0 HA ILE A 99 -1.638 -0.618 -12.195 1.00 0.00 H new ATOM 0 HB ILE A 99 -1.104 -1.930 -9.544 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.437 -1.071 -9.908 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.567 -0.327 -8.581 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -0.025 0.199 -8.959 1.00 0.00 H new ATOM 0 HG22 ILE A 99 0.814 -0.634 -10.289 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -0.236 0.761 -10.634 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -3.743 1.384 -9.927 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -1.981 1.611 -10.035 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -2.865 0.855 -11.382 1.00 0.00 H new ATOM 1533 N LEU A 100 0.140 -3.342 -11.717 1.00 0.00 N ATOM 1534 CA LEU A 100 1.324 -4.052 -12.170 1.00 0.00 C ATOM 1535 C LEU A 100 0.930 -5.045 -13.266 1.00 0.00 C ATOM 1536 O LEU A 100 1.734 -5.357 -14.143 1.00 0.00 O ATOM 1537 CB LEU A 100 2.047 -4.698 -10.986 1.00 0.00 C ATOM 1538 CG LEU A 100 2.739 -3.737 -10.017 1.00 0.00 C ATOM 1539 CD1 LEU A 100 3.371 -4.497 -8.850 1.00 0.00 C ATOM 1540 CD2 LEU A 100 3.756 -2.859 -10.749 1.00 0.00 C ATOM 0 H LEU A 100 -0.420 -3.843 -11.027 1.00 0.00 H new ATOM 0 HA LEU A 100 2.039 -3.358 -12.611 1.00 0.00 H new ATOM 0 HB2 LEU A 100 1.325 -5.291 -10.425 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.794 -5.390 -11.375 1.00 0.00 H new ATOM 0 HG LEU A 100 1.984 -3.072 -9.597 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.856 -3.791 -8.176 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.597 -5.042 -8.309 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.111 -5.201 -9.232 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.234 -2.185 -10.038 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.513 -3.490 -11.215 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.247 -2.275 -11.516 1.00 0.00 H new ATOM 1552 N GLY A 101 -0.306 -5.513 -13.179 1.00 0.00 N ATOM 1553 CA GLY A 101 -0.816 -6.464 -14.153 1.00 0.00 C ATOM 1554 C GLY A 101 -0.905 -7.868 -13.553 1.00 0.00 C ATOM 1555 O GLY A 101 -1.102 -8.844 -14.275 1.00 0.00 O ATOM 0 H GLY A 101 -0.969 -5.252 -12.450 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -1.802 -6.147 -14.494 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -0.165 -6.479 -15.027 1.00 0.00 H new ATOM 1559 N ALA A 102 -0.756 -7.926 -12.238 1.00 0.00 N ATOM 1560 CA ALA A 102 -0.817 -9.195 -11.532 1.00 0.00 C ATOM 1561 C ALA A 102 -0.909 -8.933 -10.028 1.00 0.00 C ATOM 1562 O ALA A 102 -1.047 -7.788 -9.600 1.00 0.00 O ATOM 1563 CB ALA A 102 0.400 -10.044 -11.903 1.00 0.00 C ATOM 0 H ALA A 102 -0.593 -7.114 -11.642 1.00 0.00 H new ATOM 0 HA ALA A 102 -1.706 -9.754 -11.824 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.355 -10.996 -11.374 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.403 -10.226 -12.978 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.311 -9.516 -11.622 1.00 0.00 H new ATOM 1569 N ASP A 103 -0.828 -10.014 -9.265 1.00 0.00 N ATOM 1570 CA ASP A 103 -0.900 -9.915 -7.818 1.00 0.00 C ATOM 1571 C ASP A 103 0.502 -9.671 -7.257 1.00 0.00 C ATOM 1572 O ASP A 103 1.448 -10.410 -7.522 1.00 0.00 O ATOM 1573 CB ASP A 103 -1.436 -11.210 -7.203 1.00 0.00 C ATOM 1574 CG ASP A 103 -1.996 -11.071 -5.787 1.00 0.00 C ATOM 1575 OD1 ASP A 103 -1.583 -10.108 -5.105 1.00 0.00 O ATOM 1576 OD2 ASP A 103 -2.826 -11.930 -5.418 1.00 0.00 O ATOM 0 H ASP A 103 -0.713 -10.962 -9.623 1.00 0.00 H new ATOM 0 HA ASP A 103 -1.571 -9.093 -7.570 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -2.220 -11.604 -7.850 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -0.633 -11.947 -7.189 1.00 0.00 H new ATOM 1581 N CYS A 104 0.615 -8.602 -6.464 1.00 0.00 N ATOM 1582 CA CYS A 104 1.873 -8.230 -5.851 1.00 0.00 C ATOM 1583 C CYS A 104 2.323 -9.330 -4.901 1.00 0.00 C ATOM 1584 O CYS A 104 1.488 -10.135 -4.490 1.00 0.00 O ATOM 1585 CB CYS A 104 1.705 -6.907 -5.108 1.00 0.00 C ATOM 1586 SG CYS A 104 1.623 -5.566 -6.320 1.00 0.00 S ATOM 0 H CYS A 104 -0.161 -7.981 -6.236 1.00 0.00 H new ATOM 0 HA CYS A 104 2.636 -8.104 -6.619 1.00 0.00 H new ATOM 0 HB2 CYS A 104 0.798 -6.926 -4.504 1.00 0.00 H new ATOM 0 HB3 CYS A 104 2.540 -6.749 -4.425 1.00 0.00 H new ATOM 1591 N SER A 105 3.607 -9.349 -4.574 1.00 0.00 N ATOM 1592 CA SER A 105 4.136 -10.359 -3.674 1.00 0.00 C ATOM 1593 C SER A 105 3.579 -10.147 -2.264 1.00 0.00 C ATOM 1594 O SER A 105 3.289 -9.032 -1.838 1.00 0.00 O ATOM 1595 CB SER A 105 5.665 -10.330 -3.650 1.00 0.00 C ATOM 1596 OG SER A 105 6.215 -10.110 -4.946 1.00 0.00 O ATOM 0 H SER A 105 4.297 -8.680 -4.917 1.00 0.00 H new ATOM 0 HA SER A 105 3.824 -11.338 -4.038 1.00 0.00 H new ATOM 0 HB2 SER A 105 6.002 -9.544 -2.975 1.00 0.00 H new ATOM 0 HB3 SER A 105 6.039 -11.273 -3.253 1.00 0.00 H new ATOM 0 HG SER A 105 7.193 -10.096 -4.888 1.00 0.00 H new ATOM 1602 N PRO A 106 3.435 -11.260 -1.541 1.00 0.00 N ATOM 1603 CA PRO A 106 2.930 -11.293 -0.186 1.00 0.00 C ATOM 1604 C PRO A 106 3.907 -10.585 0.741 1.00 0.00 C ATOM 1605 O PRO A 106 3.491 -10.125 1.804 1.00 0.00 O ATOM 1606 CB PRO A 106 2.827 -12.777 0.158 1.00 0.00 C ATOM 1607 CG PRO A 106 3.931 -13.425 -0.744 1.00 0.00 C ATOM 1608 CD PRO A 106 3.767 -12.588 -2.011 1.00 0.00 C ATOM 0 HA PRO A 106 1.969 -10.790 -0.080 1.00 0.00 H new ATOM 0 HB2 PRO A 106 3.012 -12.960 1.217 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.838 -13.176 -0.066 1.00 0.00 H new ATOM 0 HG2 PRO A 106 4.928 -13.335 -0.312 1.00 0.00 H new ATOM 0 HG3 PRO A 106 3.755 -14.486 -0.920 1.00 0.00 H new ATOM 0 HD2 PRO A 106 4.684 -12.580 -2.601 1.00 0.00 H new ATOM 0 HD3 PRO A 106 2.980 -12.989 -2.650 1.00 0.00 H new ATOM 1616 N SER A 107 5.165 -10.510 0.333 1.00 0.00 N ATOM 1617 CA SER A 107 6.178 -9.856 1.144 1.00 0.00 C ATOM 1618 C SER A 107 6.254 -8.370 0.788 1.00 0.00 C ATOM 1619 O SER A 107 6.935 -7.601 1.464 1.00 0.00 O ATOM 1620 CB SER A 107 7.545 -10.517 0.958 1.00 0.00 C ATOM 1621 OG SER A 107 8.010 -11.129 2.158 1.00 0.00 O ATOM 0 H SER A 107 5.506 -10.892 -0.549 1.00 0.00 H new ATOM 0 HA SER A 107 5.895 -9.958 2.192 1.00 0.00 H new ATOM 0 HB2 SER A 107 7.481 -11.267 0.170 1.00 0.00 H new ATOM 0 HB3 SER A 107 8.267 -9.770 0.629 1.00 0.00 H new ATOM 0 HG SER A 107 8.698 -10.564 2.568 1.00 0.00 H new ATOM 1627 N GLU A 108 5.545 -8.011 -0.272 1.00 0.00 N ATOM 1628 CA GLU A 108 5.524 -6.631 -0.726 1.00 0.00 C ATOM 1629 C GLU A 108 4.318 -5.897 -0.137 1.00 0.00 C ATOM 1630 O GLU A 108 4.249 -4.670 -0.184 1.00 0.00 O ATOM 1631 CB GLU A 108 5.518 -6.556 -2.254 1.00 0.00 C ATOM 1632 CG GLU A 108 6.735 -7.273 -2.842 1.00 0.00 C ATOM 1633 CD GLU A 108 7.884 -6.292 -3.086 1.00 0.00 C ATOM 1634 OE1 GLU A 108 7.842 -5.620 -4.139 1.00 0.00 O ATOM 1635 OE2 GLU A 108 8.778 -6.237 -2.214 1.00 0.00 O ATOM 0 H GLU A 108 4.981 -8.652 -0.830 1.00 0.00 H new ATOM 0 HA GLU A 108 6.431 -6.140 -0.375 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.604 -7.007 -2.640 1.00 0.00 H new ATOM 0 HB3 GLU A 108 5.518 -5.513 -2.571 1.00 0.00 H new ATOM 0 HG2 GLU A 108 7.062 -8.060 -2.162 1.00 0.00 H new ATOM 0 HG3 GLU A 108 6.459 -7.756 -3.779 1.00 0.00 H new ATOM 1642 N LYS A 109 3.396 -6.680 0.405 1.00 0.00 N ATOM 1643 CA LYS A 109 2.196 -6.119 1.003 1.00 0.00 C ATOM 1644 C LYS A 109 2.479 -5.758 2.463 1.00 0.00 C ATOM 1645 O LYS A 109 2.349 -4.600 2.856 1.00 0.00 O ATOM 1646 CB LYS A 109 1.013 -7.073 0.824 1.00 0.00 C ATOM 1647 CG LYS A 109 -0.313 -6.357 1.089 1.00 0.00 C ATOM 1648 CD LYS A 109 -0.942 -5.867 -0.217 1.00 0.00 C ATOM 1649 CE LYS A 109 -1.439 -7.042 -1.061 1.00 0.00 C ATOM 1650 NZ LYS A 109 -1.567 -6.643 -2.480 1.00 0.00 N ATOM 0 H LYS A 109 3.456 -7.698 0.442 1.00 0.00 H new ATOM 0 HA LYS A 109 1.913 -5.197 0.496 1.00 0.00 H new ATOM 0 HB2 LYS A 109 1.017 -7.477 -0.189 1.00 0.00 H new ATOM 0 HB3 LYS A 109 1.116 -7.918 1.504 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -1.001 -7.033 1.597 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -0.147 -5.511 1.756 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.773 -5.197 0.004 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -0.210 -5.291 -0.784 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -0.746 -7.879 -0.974 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -2.403 -7.385 -0.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -2.149 -7.341 -2.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -2.019 -5.708 -2.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -0.623 -6.599 -2.915 1.00 0.00 H new ATOM 1664 N ALA A 110 2.862 -6.771 3.226 1.00 0.00 N ATOM 1665 CA ALA A 110 3.165 -6.575 4.634 1.00 0.00 C ATOM 1666 C ALA A 110 4.172 -5.432 4.780 1.00 0.00 C ATOM 1667 O ALA A 110 4.241 -4.791 5.827 1.00 0.00 O ATOM 1668 CB ALA A 110 3.678 -7.885 5.233 1.00 0.00 C ATOM 0 H ALA A 110 2.970 -7.730 2.896 1.00 0.00 H new ATOM 0 HA ALA A 110 2.267 -6.295 5.185 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.905 -7.738 6.289 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.914 -8.656 5.130 1.00 0.00 H new ATOM 0 HB3 ALA A 110 4.581 -8.196 4.708 1.00 0.00 H new ATOM 1674 N ASN A 111 4.929 -5.213 3.714 1.00 0.00 N ATOM 1675 CA ASN A 111 5.929 -4.160 3.710 1.00 0.00 C ATOM 1676 C ASN A 111 5.231 -2.800 3.655 1.00 0.00 C ATOM 1677 O ASN A 111 5.467 -1.941 4.504 1.00 0.00 O ATOM 1678 CB ASN A 111 6.843 -4.273 2.489 1.00 0.00 C ATOM 1679 CG ASN A 111 8.109 -3.432 2.671 1.00 0.00 C ATOM 1680 OD1 ASN A 111 9.196 -3.940 2.891 1.00 0.00 O ATOM 1681 ND2 ASN A 111 7.907 -2.122 2.568 1.00 0.00 N ATOM 0 H ASN A 111 4.869 -5.748 2.847 1.00 0.00 H new ATOM 0 HA ASN A 111 6.526 -4.258 4.617 1.00 0.00 H new ATOM 0 HB2 ASN A 111 7.115 -5.316 2.329 1.00 0.00 H new ATOM 0 HB3 ASN A 111 6.308 -3.943 1.598 1.00 0.00 H new ATOM 0 HD21 ASN A 111 8.689 -1.476 2.674 1.00 0.00 H new ATOM 0 HD22 ASN A 111 6.970 -1.763 2.382 1.00 0.00 H new ATOM 1688 N PHE A 112 4.385 -2.645 2.646 1.00 0.00 N ATOM 1689 CA PHE A 112 3.651 -1.404 2.469 1.00 0.00 C ATOM 1690 C PHE A 112 2.780 -1.102 3.690 1.00 0.00 C ATOM 1691 O PHE A 112 2.759 0.027 4.178 1.00 0.00 O ATOM 1692 CB PHE A 112 2.749 -1.589 1.247 1.00 0.00 C ATOM 1693 CG PHE A 112 2.029 -0.312 0.806 1.00 0.00 C ATOM 1694 CD1 PHE A 112 2.748 0.765 0.390 1.00 0.00 C ATOM 1695 CD2 PHE A 112 0.671 -0.255 0.831 1.00 0.00 C ATOM 1696 CE1 PHE A 112 2.080 1.949 -0.019 1.00 0.00 C ATOM 1697 CE2 PHE A 112 0.003 0.929 0.422 1.00 0.00 C ATOM 1698 CZ PHE A 112 0.721 2.006 0.005 1.00 0.00 C ATOM 0 H PHE A 112 4.192 -3.359 1.943 1.00 0.00 H new ATOM 0 HA PHE A 112 4.347 -0.575 2.340 1.00 0.00 H new ATOM 0 HB2 PHE A 112 3.350 -1.960 0.417 1.00 0.00 H new ATOM 0 HB3 PHE A 112 2.006 -2.355 1.469 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.827 0.719 0.371 1.00 0.00 H new ATOM 0 HD2 PHE A 112 0.100 -1.110 1.162 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.651 2.804 -0.349 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -1.076 0.974 0.442 1.00 0.00 H new ATOM 0 HZ PHE A 112 0.213 2.906 -0.307 1.00 0.00 H new ATOM 1708 N ILE A 113 2.084 -2.132 4.149 1.00 0.00 N ATOM 1709 CA ILE A 113 1.213 -1.991 5.304 1.00 0.00 C ATOM 1710 C ILE A 113 2.022 -1.446 6.483 1.00 0.00 C ATOM 1711 O ILE A 113 1.511 -0.661 7.280 1.00 0.00 O ATOM 1712 CB ILE A 113 0.503 -3.313 5.604 1.00 0.00 C ATOM 1713 CG1 ILE A 113 -0.729 -3.487 4.714 1.00 0.00 C ATOM 1714 CG2 ILE A 113 0.158 -3.425 7.090 1.00 0.00 C ATOM 1715 CD1 ILE A 113 -0.702 -4.839 3.998 1.00 0.00 C ATOM 0 H ILE A 113 2.105 -3.067 3.742 1.00 0.00 H new ATOM 0 HA ILE A 113 0.422 -1.270 5.099 1.00 0.00 H new ATOM 0 HB ILE A 113 1.187 -4.129 5.370 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.633 -3.410 5.319 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.768 -2.683 3.979 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.346 -4.374 7.276 1.00 0.00 H new ATOM 0 HG22 ILE A 113 1.073 -3.378 7.680 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -0.499 -2.603 7.374 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.589 -4.937 3.372 1.00 0.00 H new ATOM 0 HD12 ILE A 113 0.190 -4.903 3.375 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.688 -5.641 4.736 1.00 0.00 H new ATOM 1727 N ALA A 114 3.270 -1.884 6.556 1.00 0.00 N ATOM 1728 CA ALA A 114 4.154 -1.450 7.624 1.00 0.00 C ATOM 1729 C ALA A 114 4.411 0.053 7.489 1.00 0.00 C ATOM 1730 O ALA A 114 4.002 0.862 8.319 1.00 0.00 O ATOM 1731 CB ALA A 114 5.446 -2.268 7.582 1.00 0.00 C ATOM 0 H ALA A 114 3.690 -2.535 5.893 1.00 0.00 H new ATOM 0 HA ALA A 114 3.692 -1.620 8.597 1.00 0.00 H new ATOM 0 HB1 ALA A 114 6.109 -1.942 8.383 1.00 0.00 H new ATOM 0 HB2 ALA A 114 5.212 -3.325 7.712 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.939 -2.121 6.621 1.00 0.00 H new ATOM 1737 N TYR A 115 5.107 0.411 6.409 1.00 0.00 N ATOM 1738 CA TYR A 115 5.435 1.796 6.137 1.00 0.00 C ATOM 1739 C TYR A 115 4.179 2.652 6.231 1.00 0.00 C ATOM 1740 O TYR A 115 4.273 3.800 6.664 1.00 0.00 O ATOM 1741 CB TYR A 115 6.062 1.907 4.751 1.00 0.00 C ATOM 1742 CG TYR A 115 7.357 2.683 4.735 1.00 0.00 C ATOM 1743 CD1 TYR A 115 7.335 4.083 4.771 1.00 0.00 C ATOM 1744 CD2 TYR A 115 8.580 2.004 4.684 1.00 0.00 C ATOM 1745 CE1 TYR A 115 8.535 4.803 4.757 1.00 0.00 C ATOM 1746 CE2 TYR A 115 9.781 2.724 4.670 1.00 0.00 C ATOM 1747 CZ TYR A 115 9.758 4.123 4.707 1.00 0.00 C ATOM 1748 OH TYR A 115 10.928 4.825 4.694 1.00 0.00 O ATOM 0 H TYR A 115 5.452 -0.248 5.711 1.00 0.00 H new ATOM 0 HA TYR A 115 6.152 2.155 6.875 1.00 0.00 H new ATOM 0 HB2 TYR A 115 6.243 0.905 4.362 1.00 0.00 H new ATOM 0 HB3 TYR A 115 5.352 2.387 4.077 1.00 0.00 H new ATOM 0 HD1 TYR A 115 6.392 4.607 4.810 1.00 0.00 H new ATOM 0 HD2 TYR A 115 8.597 0.925 4.655 1.00 0.00 H new ATOM 0 HE1 TYR A 115 8.518 5.883 4.785 1.00 0.00 H new ATOM 0 HE2 TYR A 115 10.725 2.200 4.631 1.00 0.00 H new ATOM 0 HH TYR A 115 11.683 4.201 4.659 1.00 0.00 H new ATOM 1758 N LEU A 116 3.047 2.090 5.833 1.00 0.00 N ATOM 1759 CA LEU A 116 1.792 2.820 5.881 1.00 0.00 C ATOM 1760 C LEU A 116 1.368 3.000 7.340 1.00 0.00 C ATOM 1761 O LEU A 116 0.822 4.039 7.708 1.00 0.00 O ATOM 1762 CB LEU A 116 0.737 2.129 5.015 1.00 0.00 C ATOM 1763 CG LEU A 116 0.572 2.676 3.596 1.00 0.00 C ATOM 1764 CD1 LEU A 116 -0.633 2.040 2.900 1.00 0.00 C ATOM 1765 CD2 LEU A 116 0.489 4.204 3.602 1.00 0.00 C ATOM 0 H LEU A 116 2.973 1.137 5.476 1.00 0.00 H new ATOM 0 HA LEU A 116 1.915 3.817 5.458 1.00 0.00 H new ATOM 0 HB2 LEU A 116 0.987 1.070 4.948 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -0.224 2.198 5.524 1.00 0.00 H new ATOM 0 HG LEU A 116 1.457 2.404 3.021 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -0.728 2.446 1.893 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -0.493 0.960 2.844 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -1.538 2.260 3.466 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.372 4.566 2.581 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.367 4.520 4.199 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.402 4.616 4.031 1.00 0.00 H new ATOM 1777 N LEU A 117 1.635 1.972 8.132 1.00 0.00 N ATOM 1778 CA LEU A 117 1.288 2.004 9.543 1.00 0.00 C ATOM 1779 C LEU A 117 2.514 2.424 10.356 1.00 0.00 C ATOM 1780 O LEU A 117 2.653 2.044 11.518 1.00 0.00 O ATOM 1781 CB LEU A 117 0.691 0.664 9.978 1.00 0.00 C ATOM 1782 CG LEU A 117 1.693 -0.459 10.254 1.00 0.00 C ATOM 1783 CD1 LEU A 117 2.078 -0.498 11.734 1.00 0.00 C ATOM 1784 CD2 LEU A 117 1.156 -1.806 9.766 1.00 0.00 C ATOM 0 H LEU A 117 2.088 1.112 7.824 1.00 0.00 H new ATOM 0 HA LEU A 117 0.513 2.747 9.728 1.00 0.00 H new ATOM 0 HB2 LEU A 117 0.101 0.827 10.880 1.00 0.00 H new ATOM 0 HB3 LEU A 117 0.002 0.327 9.203 1.00 0.00 H new ATOM 0 HG LEU A 117 2.602 -0.252 9.690 1.00 0.00 H new ATOM 0 HD11 LEU A 117 2.791 -1.305 11.903 1.00 0.00 H new ATOM 0 HD12 LEU A 117 2.531 0.452 12.017 1.00 0.00 H new ATOM 0 HD13 LEU A 117 1.187 -0.669 12.337 1.00 0.00 H new ATOM 0 HD21 LEU A 117 1.888 -2.587 9.974 1.00 0.00 H new ATOM 0 HD22 LEU A 117 0.224 -2.035 10.283 1.00 0.00 H new ATOM 0 HD23 LEU A 117 0.973 -1.757 8.693 1.00 0.00 H new ATOM 1796 N THR A 118 3.372 3.202 9.713 1.00 0.00 N ATOM 1797 CA THR A 118 4.582 3.677 10.362 1.00 0.00 C ATOM 1798 C THR A 118 4.690 5.199 10.240 1.00 0.00 C ATOM 1799 O THR A 118 4.592 5.914 11.236 1.00 0.00 O ATOM 1800 CB THR A 118 5.771 2.932 9.751 1.00 0.00 C ATOM 1801 OG1 THR A 118 5.686 1.625 10.311 1.00 0.00 O ATOM 1802 CG2 THR A 118 7.115 3.465 10.250 1.00 0.00 C ATOM 0 H THR A 118 3.253 3.515 8.750 1.00 0.00 H new ATOM 0 HA THR A 118 4.565 3.468 11.432 1.00 0.00 H new ATOM 0 HB THR A 118 5.730 3.012 8.665 1.00 0.00 H new ATOM 0 HG1 THR A 118 5.093 1.071 9.761 1.00 0.00 H new ATOM 0 HG21 THR A 118 7.925 2.902 9.786 1.00 0.00 H new ATOM 0 HG22 THR A 118 7.209 4.519 9.987 1.00 0.00 H new ATOM 0 HG23 THR A 118 7.171 3.355 11.333 1.00 0.00 H new ATOM 1810 N GLU A 119 4.892 5.648 9.010 1.00 0.00 N ATOM 1811 CA GLU A 119 5.014 7.071 8.744 1.00 0.00 C ATOM 1812 C GLU A 119 3.646 7.749 8.840 1.00 0.00 C ATOM 1813 O GLU A 119 2.703 7.352 8.157 1.00 0.00 O ATOM 1814 CB GLU A 119 5.655 7.321 7.378 1.00 0.00 C ATOM 1815 CG GLU A 119 7.032 6.660 7.288 1.00 0.00 C ATOM 1816 CD GLU A 119 8.105 7.679 6.901 1.00 0.00 C ATOM 1817 OE1 GLU A 119 8.068 8.126 5.734 1.00 0.00 O ATOM 1818 OE2 GLU A 119 8.939 7.986 7.780 1.00 0.00 O ATOM 0 H GLU A 119 4.974 5.051 8.187 1.00 0.00 H new ATOM 0 HA GLU A 119 5.667 7.507 9.500 1.00 0.00 H new ATOM 0 HB2 GLU A 119 5.008 6.930 6.592 1.00 0.00 H new ATOM 0 HB3 GLU A 119 5.751 8.393 7.208 1.00 0.00 H new ATOM 0 HG2 GLU A 119 7.285 6.206 8.246 1.00 0.00 H new ATOM 0 HG3 GLU A 119 7.006 5.856 6.552 1.00 0.00 H new ATOM 1825 N THR A 120 3.580 8.761 9.693 1.00 0.00 N ATOM 1826 CA THR A 120 2.343 9.497 9.888 1.00 0.00 C ATOM 1827 C THR A 120 2.627 10.997 10.000 1.00 0.00 C ATOM 1828 O THR A 120 2.041 11.682 10.836 1.00 0.00 O ATOM 1829 CB THR A 120 1.637 8.919 11.116 1.00 0.00 C ATOM 1830 OG1 THR A 120 2.442 9.345 12.212 1.00 0.00 O ATOM 1831 CG2 THR A 120 1.711 7.392 11.169 1.00 0.00 C ATOM 0 H THR A 120 4.364 9.088 10.257 1.00 0.00 H new ATOM 0 HA THR A 120 1.678 9.387 9.031 1.00 0.00 H new ATOM 0 HB THR A 120 0.593 9.231 11.115 1.00 0.00 H new ATOM 0 HG1 THR A 120 2.055 9.015 13.050 1.00 0.00 H new ATOM 0 HG21 THR A 120 1.195 7.033 12.060 1.00 0.00 H new ATOM 0 HG22 THR A 120 1.236 6.974 10.281 1.00 0.00 H new ATOM 0 HG23 THR A 120 2.755 7.079 11.204 1.00 0.00 H new ATOM 1839 N LYS A 121 3.526 11.462 9.144 1.00 0.00 N ATOM 1840 CA LYS A 121 3.894 12.867 9.137 1.00 0.00 C ATOM 1841 C LYS A 121 3.889 13.383 7.696 1.00 0.00 C ATOM 1842 O LYS A 121 4.820 13.170 6.923 1.00 0.00 O ATOM 1843 CB LYS A 121 5.227 13.075 9.859 1.00 0.00 C ATOM 1844 CG LYS A 121 5.170 12.521 11.284 1.00 0.00 C ATOM 1845 CD LYS A 121 6.576 12.343 11.860 1.00 0.00 C ATOM 1846 CE LYS A 121 6.761 13.180 13.127 1.00 0.00 C ATOM 1847 NZ LYS A 121 7.990 12.772 13.844 1.00 0.00 N ATOM 0 H LYS A 121 4.010 10.891 8.451 1.00 0.00 H new ATOM 0 HA LYS A 121 3.162 13.456 9.690 1.00 0.00 H new ATOM 0 HB2 LYS A 121 6.026 12.582 9.305 1.00 0.00 H new ATOM 0 HB3 LYS A 121 5.468 14.138 9.887 1.00 0.00 H new ATOM 0 HG2 LYS A 121 4.596 13.197 11.918 1.00 0.00 H new ATOM 0 HG3 LYS A 121 4.649 11.564 11.285 1.00 0.00 H new ATOM 0 HD2 LYS A 121 6.749 11.291 12.087 1.00 0.00 H new ATOM 0 HD3 LYS A 121 7.317 12.635 11.116 1.00 0.00 H new ATOM 0 HE2 LYS A 121 6.819 14.237 12.866 1.00 0.00 H new ATOM 0 HE3 LYS A 121 5.896 13.060 13.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 8.100 13.350 14.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 7.920 11.769 14.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 8.815 12.910 13.225 1.00 0.00 H new ATOM 1861 N PRO A 122 2.802 14.078 7.350 1.00 0.00 N ATOM 1862 CA PRO A 122 2.588 14.658 6.042 1.00 0.00 C ATOM 1863 C PRO A 122 3.385 15.949 5.920 1.00 0.00 C ATOM 1864 O PRO A 122 3.875 16.443 6.934 1.00 0.00 O ATOM 1865 CB PRO A 122 1.087 14.934 5.978 1.00 0.00 C ATOM 1866 CG PRO A 122 0.701 15.150 7.391 1.00 0.00 C ATOM 1867 CD PRO A 122 1.689 14.347 8.234 1.00 0.00 C ATOM 0 HA PRO A 122 2.911 14.006 5.230 1.00 0.00 H new ATOM 0 HB2 PRO A 122 0.868 15.809 5.366 1.00 0.00 H new ATOM 0 HB3 PRO A 122 0.545 14.095 5.540 1.00 0.00 H new ATOM 0 HG2 PRO A 122 0.742 16.209 7.648 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -0.322 14.818 7.570 1.00 0.00 H new ATOM 0 HD2 PRO A 122 2.008 14.910 9.111 1.00 0.00 H new ATOM 0 HD3 PRO A 122 1.239 13.422 8.595 1.00 0.00 H new ATOM 1875 N THR A 123 3.502 16.461 4.704 1.00 0.00 N ATOM 1876 CA THR A 123 4.245 17.690 4.477 1.00 0.00 C ATOM 1877 C THR A 123 3.439 18.897 4.961 1.00 0.00 C ATOM 1878 O THR A 123 3.810 19.544 5.939 1.00 0.00 O ATOM 1879 CB THR A 123 4.608 17.756 2.993 1.00 0.00 C ATOM 1880 OG1 THR A 123 5.553 16.704 2.818 1.00 0.00 O ATOM 1881 CG2 THR A 123 5.389 19.022 2.637 1.00 0.00 C ATOM 0 H THR A 123 3.095 16.048 3.865 1.00 0.00 H new ATOM 0 HA THR A 123 5.170 17.705 5.053 1.00 0.00 H new ATOM 0 HB THR A 123 3.698 17.711 2.395 1.00 0.00 H new ATOM 0 HG1 THR A 123 5.840 16.675 1.881 1.00 0.00 H new ATOM 0 HG21 THR A 123 5.621 19.019 1.572 1.00 0.00 H new ATOM 0 HG22 THR A 123 4.787 19.899 2.874 1.00 0.00 H new ATOM 0 HG23 THR A 123 6.315 19.051 3.210 1.00 0.00 H new ATOM 1889 N LYS A 124 2.352 19.164 4.253 1.00 0.00 N ATOM 1890 CA LYS A 124 1.490 20.282 4.597 1.00 0.00 C ATOM 1891 C LYS A 124 0.073 19.768 4.858 1.00 0.00 C ATOM 1892 O LYS A 124 -0.826 20.546 5.171 1.00 0.00 O ATOM 1893 CB LYS A 124 1.562 21.366 3.520 1.00 0.00 C ATOM 1894 CG LYS A 124 2.863 22.164 3.631 1.00 0.00 C ATOM 1895 CD LYS A 124 2.765 23.482 2.858 1.00 0.00 C ATOM 1896 CE LYS A 124 3.836 24.471 3.324 1.00 0.00 C ATOM 1897 NZ LYS A 124 3.508 25.841 2.870 1.00 0.00 N ATOM 1898 OXT LYS A 124 -0.115 18.538 4.738 1.00 0.00 O ATOM 0 H LYS A 124 2.048 18.625 3.442 1.00 0.00 H new ATOM 0 HA LYS A 124 1.832 20.756 5.517 1.00 0.00 H new ATOM 0 HB2 LYS A 124 1.495 20.908 2.533 1.00 0.00 H new ATOM 0 HB3 LYS A 124 0.709 22.038 3.618 1.00 0.00 H new ATOM 0 HG2 LYS A 124 3.080 22.368 4.679 1.00 0.00 H new ATOM 0 HG3 LYS A 124 3.692 21.571 3.243 1.00 0.00 H new ATOM 0 HD2 LYS A 124 2.880 23.292 1.791 1.00 0.00 H new ATOM 0 HD3 LYS A 124 1.776 23.918 2.999 1.00 0.00 H new ATOM 0 HE2 LYS A 124 3.911 24.450 4.411 1.00 0.00 H new ATOM 0 HE3 LYS A 124 4.809 24.175 2.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 4.244 26.500 3.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 3.459 25.860 1.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 2.589 26.127 3.265 1.00 0.00 H new TER 1912 LYS A 124 HETATM 1913 FE HEC A 125 -3.369 2.742 -5.320 1.00 0.00 FE HETATM 1914 CHA HEC A 125 -6.198 2.715 -3.339 1.00 0.00 C HETATM 1915 CHB HEC A 125 -1.681 0.944 -2.914 1.00 0.00 C HETATM 1916 CHC HEC A 125 -0.565 2.599 -7.357 1.00 0.00 C HETATM 1917 CHD HEC A 125 -5.030 4.665 -7.646 1.00 0.00 C HETATM 1918 NA HEC A 125 -3.844 1.997 -3.505 1.00 0.00 N HETATM 1919 C1A HEC A 125 -5.064 2.070 -2.856 1.00 0.00 C HETATM 1920 C2A HEC A 125 -5.001 1.377 -1.591 1.00 0.00 C HETATM 1921 C3A HEC A 125 -3.750 0.885 -1.470 1.00 0.00 C HETATM 1922 C4A HEC A 125 -3.026 1.268 -2.659 1.00 0.00 C HETATM 1923 CMA HEC A 125 -3.177 0.086 -0.336 1.00 0.00 C HETATM 1924 CAA HEC A 125 -6.140 1.253 -0.622 1.00 0.00 C HETATM 1925 CBA HEC A 125 -7.060 0.066 -0.895 1.00 0.00 C HETATM 1926 CGA HEC A 125 -8.152 -0.035 0.161 1.00 0.00 C HETATM 1927 O1A HEC A 125 -9.304 -0.308 -0.239 1.00 0.00 O HETATM 1928 O2A HEC A 125 -7.814 0.163 1.348 1.00 0.00 O HETATM 1929 NB HEC A 125 -1.482 1.999 -5.135 1.00 0.00 N HETATM 1930 C1B HEC A 125 -1.030 1.173 -4.121 1.00 0.00 C HETATM 1931 C2B HEC A 125 0.230 0.570 -4.491 1.00 0.00 C HETATM 1932 C3B HEC A 125 0.542 1.027 -5.722 1.00 0.00 C HETATM 1933 C4B HEC A 125 -0.521 1.917 -6.127 1.00 0.00 C HETATM 1934 CMB HEC A 125 1.011 -0.382 -3.633 1.00 0.00 C HETATM 1935 CAB HEC A 125 1.751 0.701 -6.550 1.00 0.00 C HETATM 1936 CBB HEC A 125 2.003 -0.795 -6.717 1.00 0.00 C HETATM 1937 NC HEC A 125 -2.937 3.421 -7.188 1.00 0.00 N HETATM 1938 C1C HEC A 125 -1.686 3.434 -7.780 1.00 0.00 C HETATM 1939 C2C HEC A 125 -1.658 4.377 -8.873 1.00 0.00 C HETATM 1940 C3C HEC A 125 -2.885 4.936 -8.946 1.00 0.00 C HETATM 1941 C4C HEC A 125 -3.684 4.344 -7.900 1.00 0.00 C HETATM 1942 CMC HEC A 125 -0.464 4.652 -9.739 1.00 0.00 C HETATM 1943 CAC HEC A 125 -3.370 5.976 -9.913 1.00 0.00 C HETATM 1944 CBC HEC A 125 -3.379 5.515 -11.368 1.00 0.00 C HETATM 1945 ND HEC A 125 -5.214 3.552 -5.452 1.00 0.00 N HETATM 1946 C1D HEC A 125 -5.736 4.268 -6.515 1.00 0.00 C HETATM 1947 C2D HEC A 125 -7.134 4.553 -6.289 1.00 0.00 C HETATM 1948 C3D HEC A 125 -7.460 4.014 -5.095 1.00 0.00 C HETATM 1949 C4D HEC A 125 -6.269 3.390 -4.571 1.00 0.00 C HETATM 1950 CMD HEC A 125 -8.019 5.312 -7.234 1.00 0.00 C HETATM 1951 CAD HEC A 125 -8.794 4.034 -4.406 1.00 0.00 C HETATM 1952 CBD HEC A 125 -8.903 5.075 -3.295 1.00 0.00 C HETATM 1953 CGD HEC A 125 -8.603 6.471 -3.821 1.00 0.00 C HETATM 1954 O1D HEC A 125 -7.796 6.558 -4.772 1.00 0.00 O HETATM 1955 O2D HEC A 125 -9.185 7.425 -3.262 1.00 0.00 O HETATM 0 HMD3 HEC A 125 -7.618 6.315 -7.382 1.00 0.00 H new HETATM 0 HMD2 HEC A 125 -8.059 4.792 -8.191 1.00 0.00 H new HETATM 0 HMD1 HEC A 125 -9.023 5.381 -6.816 1.00 0.00 H new HETATM 0 HMC3 HEC A 125 0.357 5.017 -9.122 1.00 0.00 H new HETATM 0 HMC2 HEC A 125 -0.160 3.734 -10.242 1.00 0.00 H new HETATM 0 HMC1 HEC A 125 -0.720 5.405 -10.484 1.00 0.00 H new HETATM 0 HMB3 HEC A 125 1.276 0.107 -2.695 1.00 0.00 H new HETATM 0 HMB2 HEC A 125 0.406 -1.264 -3.424 1.00 0.00 H new HETATM 0 HMB1 HEC A 125 1.920 -0.681 -4.155 1.00 0.00 H new HETATM 0 HMA3 HEC A 125 -3.232 0.668 0.584 1.00 0.00 H new HETATM 0 HMA2 HEC A 125 -3.746 -0.836 -0.216 1.00 0.00 H new HETATM 0 HMA1 HEC A 125 -2.136 -0.156 -0.551 1.00 0.00 H new HETATM 0 HBD2 HEC A 125 -9.905 5.052 -2.868 1.00 0.00 H new HETATM 0 HBD1 HEC A 125 -8.208 4.829 -2.492 1.00 0.00 H new HETATM 0 HBC3 HEC A 125 -2.368 5.243 -11.670 1.00 0.00 H new HETATM 0 HBC2 HEC A 125 -4.034 4.650 -11.472 1.00 0.00 H new HETATM 0 HBC1 HEC A 125 -3.742 6.323 -12.003 1.00 0.00 H new HETATM 0 HBB3 HEC A 125 2.151 -1.251 -5.738 1.00 0.00 H new HETATM 0 HBB2 HEC A 125 1.145 -1.256 -7.206 1.00 0.00 H new HETATM 0 HBB1 HEC A 125 2.893 -0.948 -7.327 1.00 0.00 H new HETATM 0 HBA2 HEC A 125 -7.512 0.172 -1.881 1.00 0.00 H new HETATM 0 HBA1 HEC A 125 -6.477 -0.855 -0.909 1.00 0.00 H new HETATM 0 HAD2 HEC A 125 -9.571 4.225 -5.146 1.00 0.00 H new HETATM 0 HAD1 HEC A 125 -8.989 3.047 -3.986 1.00 0.00 H new HETATM 0 HAA2 HEC A 125 -5.737 1.163 0.387 1.00 0.00 H new HETATM 0 HAA1 HEC A 125 -6.729 2.170 -0.650 1.00 0.00 H new HETATM 0 HHD HEC A 125 -5.556 5.267 -8.387 1.00 0.00 H new HETATM 0 HHC HEC A 125 0.285 2.498 -8.032 1.00 0.00 H new HETATM 0 HHB HEC A 125 -1.110 0.481 -2.109 1.00 0.00 H new HETATM 0 HHA HEC A 125 -7.094 2.696 -2.719 1.00 0.00 H new HETATM 0 H2D HEC A 125 -9.848 7.807 -3.874 1.00 0.00 H new HETATM 0 H2A HEC A 125 -8.597 0.073 1.930 1.00 0.00 H new