USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 969 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 HIS : no HD1:sc= -0.236 K(o=0.47,f=-3.8!) USER MOD Set 1.2: A 109 TYR OH : rot -1:sc= 0.707 USER MOD Set 2.1: A 30 GLN : amide:sc= -2.33! K(o=-4.9!,f=-0.062) USER MOD Set 2.2: A 34 GLN : amide:sc= -0.342 K(o=-4.9,f=-2.6!) USER MOD Set 2.3: A 79 CYS SG : rot 180:sc= -2.2! USER MOD Set 3.1: A 40 THR OG1 : rot 44:sc= 0.835 USER MOD Set 3.2: A 105 SER OG : rot 136:sc= 0.342 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 GLN : amide:sc= -0.361 K(o=-0.36,f=-5.5!) USER MOD Single : A 15 CYS SG : rot 135:sc= -0.511 USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 148:sc= -0.0582 (180deg=-0.468) USER MOD Single : A 21 THR OG1 : rot 22:sc= -0.25 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 CYS SG : rot 180:sc=-0.00616 USER MOD Single : A 31 THR OG1 : rot -34:sc= 0.81 USER MOD Single : A 38 SER OG : rot -31:sc= 0.249 USER MOD Single : A 42 CYS SG : rot 180:sc= -0.525 USER MOD Single : A 45 MET CE :methyl 165:sc= -1.03 (180deg=-1.3) USER MOD Single : A 46 THR OG1 : rot 173:sc= -1.29! USER MOD Single : A 53 SER OG : rot -20:sc= 0.687 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 61 MET CE :methyl 150:sc= 0 (180deg=-0.8) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0.157 X(o=0.16,f=-0.33) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 CYS SG : rot 180:sc= 0.00552 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.773 K(o=-0.77,f=-4.6!) USER MOD Single : A 93 MET CE :methyl -118:sc= -1.04 (180deg=-2.25) USER MOD Single : A 100 GLN : amide:sc= -0.189 K(o=-0.19,f=-1) USER MOD Single : A 101 SER OG : rot 150:sc= 0 USER MOD Single : A 102 THR OG1 : rot -44:sc= -0.591 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= -0.892 K(o=-0.89,f=-0.11) USER MOD Single : A 118 HIS : no HD1:sc= -0.461 X(o=-0.46,f=-0.54) USER MOD Single : A 125 HIS : no HD1:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 126 HIS : no HD1:sc= 0.179 K(o=0.18,f=-0.72) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=-0.003) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=-0.0048) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.995 -3.634 -9.041 1.00 0.00 N ATOM 2 CA MET A 1 -21.689 -2.390 -9.458 1.00 0.00 C ATOM 3 C MET A 1 -21.647 -2.243 -10.993 1.00 0.00 C ATOM 4 O MET A 1 -22.696 -2.186 -11.647 1.00 0.00 O ATOM 5 CB MET A 1 -21.059 -1.158 -8.754 1.00 0.00 C ATOM 6 CG MET A 1 -21.759 0.180 -9.055 1.00 0.00 C ATOM 7 SD MET A 1 -23.506 0.157 -8.591 1.00 0.00 S ATOM 8 CE MET A 1 -24.025 1.828 -8.992 1.00 0.00 C ATOM 0 H1 MET A 1 -21.031 -3.721 -8.005 1.00 0.00 H new ATOM 0 H2 MET A 1 -21.464 -4.455 -9.474 1.00 0.00 H new ATOM 0 H3 MET A 1 -20.003 -3.599 -9.352 1.00 0.00 H new ATOM 0 HA MET A 1 -22.734 -2.449 -9.155 1.00 0.00 H new ATOM 0 HB2 MET A 1 -21.072 -1.325 -7.677 1.00 0.00 H new ATOM 0 HB3 MET A 1 -20.013 -1.081 -9.052 1.00 0.00 H new ATOM 0 HG2 MET A 1 -21.253 0.982 -8.518 1.00 0.00 H new ATOM 0 HG3 MET A 1 -21.670 0.403 -10.118 1.00 0.00 H new ATOM 0 HE1 MET A 1 -25.082 1.948 -8.754 1.00 0.00 H new ATOM 0 HE2 MET A 1 -23.439 2.540 -8.411 1.00 0.00 H new ATOM 0 HE3 MET A 1 -23.869 2.012 -10.055 1.00 0.00 H new ATOM 20 N GLY A 2 -20.422 -2.198 -11.559 1.00 0.00 N ATOM 21 CA GLY A 2 -20.231 -2.065 -13.009 1.00 0.00 C ATOM 22 C GLY A 2 -18.753 -2.028 -13.411 1.00 0.00 C ATOM 23 O GLY A 2 -17.979 -1.238 -12.858 1.00 0.00 O ATOM 0 H GLY A 2 -19.553 -2.252 -11.028 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -20.719 -2.899 -13.513 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -20.720 -1.154 -13.353 1.00 0.00 H new ATOM 27 N GLN A 3 -18.365 -2.877 -14.379 1.00 0.00 N ATOM 28 CA GLN A 3 -16.981 -2.963 -14.900 1.00 0.00 C ATOM 29 C GLN A 3 -17.008 -3.195 -16.432 1.00 0.00 C ATOM 30 O GLN A 3 -17.320 -4.299 -16.896 1.00 0.00 O ATOM 31 CB GLN A 3 -16.211 -4.107 -14.180 1.00 0.00 C ATOM 32 CG GLN A 3 -14.738 -4.271 -14.620 1.00 0.00 C ATOM 33 CD GLN A 3 -14.028 -5.464 -13.971 1.00 0.00 C ATOM 34 OE1 GLN A 3 -14.642 -6.481 -13.652 1.00 0.00 O ATOM 35 NE2 GLN A 3 -12.729 -5.354 -13.779 1.00 0.00 N ATOM 0 H GLN A 3 -19.006 -3.531 -14.829 1.00 0.00 H new ATOM 0 HA GLN A 3 -16.463 -2.025 -14.703 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -16.237 -3.924 -13.106 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -16.735 -5.046 -14.356 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -14.703 -4.385 -15.703 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -14.192 -3.359 -14.377 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -12.244 -4.500 -14.053 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -12.209 -6.123 -13.357 1.00 0.00 H new ATOM 44 N GLY A 4 -16.708 -2.138 -17.207 1.00 0.00 N ATOM 45 CA GLY A 4 -16.704 -2.212 -18.675 1.00 0.00 C ATOM 46 C GLY A 4 -15.461 -2.906 -19.246 1.00 0.00 C ATOM 47 O GLY A 4 -14.341 -2.397 -19.098 1.00 0.00 O ATOM 0 H GLY A 4 -16.464 -1.219 -16.837 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.594 -2.746 -19.007 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.767 -1.203 -19.083 1.00 0.00 H new ATOM 51 N GLN A 5 -15.655 -4.073 -19.897 1.00 0.00 N ATOM 52 CA GLN A 5 -14.553 -4.833 -20.545 1.00 0.00 C ATOM 53 C GLN A 5 -14.964 -5.301 -21.972 1.00 0.00 C ATOM 54 O GLN A 5 -16.020 -5.915 -22.156 1.00 0.00 O ATOM 55 CB GLN A 5 -14.120 -6.052 -19.669 1.00 0.00 C ATOM 56 CG GLN A 5 -15.233 -7.096 -19.390 1.00 0.00 C ATOM 57 CD GLN A 5 -14.738 -8.350 -18.661 1.00 0.00 C ATOM 58 OE1 GLN A 5 -13.819 -8.298 -17.848 1.00 0.00 O ATOM 59 NE2 GLN A 5 -15.332 -9.491 -18.963 1.00 0.00 N ATOM 0 H GLN A 5 -16.569 -4.515 -19.990 1.00 0.00 H new ATOM 0 HA GLN A 5 -13.698 -4.164 -20.639 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -13.288 -6.555 -20.162 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -13.747 -5.679 -18.715 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -16.017 -6.627 -18.795 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -15.685 -7.392 -20.336 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -16.093 -9.506 -19.642 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -15.030 -10.357 -18.517 1.00 0.00 H new ATOM 68 N ASN A 6 -14.123 -4.968 -22.972 1.00 0.00 N ATOM 69 CA ASN A 6 -14.306 -5.381 -24.393 1.00 0.00 C ATOM 70 C ASN A 6 -13.024 -5.075 -25.203 1.00 0.00 C ATOM 71 O ASN A 6 -12.413 -4.022 -25.005 1.00 0.00 O ATOM 72 CB ASN A 6 -15.546 -4.694 -25.043 1.00 0.00 C ATOM 73 CG ASN A 6 -15.521 -3.164 -24.939 1.00 0.00 C ATOM 74 OD1 ASN A 6 -15.018 -2.476 -25.820 1.00 0.00 O ATOM 75 ND2 ASN A 6 -16.052 -2.625 -23.855 1.00 0.00 N ATOM 0 H ASN A 6 -13.289 -4.400 -22.823 1.00 0.00 H new ATOM 0 HA ASN A 6 -14.489 -6.455 -24.408 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -15.600 -4.978 -26.094 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -16.451 -5.068 -24.565 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -16.050 -1.612 -23.736 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -16.464 -3.222 -23.138 1.00 0.00 H new ATOM 82 N VAL A 7 -12.658 -6.006 -26.127 1.00 0.00 N ATOM 83 CA VAL A 7 -11.438 -5.976 -26.970 1.00 0.00 C ATOM 84 C VAL A 7 -10.113 -6.149 -26.150 1.00 0.00 C ATOM 85 O VAL A 7 -9.341 -7.087 -26.377 1.00 0.00 O ATOM 86 CB VAL A 7 -11.368 -4.703 -27.901 1.00 0.00 C ATOM 87 CG1 VAL A 7 -10.205 -4.835 -28.902 1.00 0.00 C ATOM 88 CG2 VAL A 7 -12.718 -4.449 -28.638 1.00 0.00 C ATOM 0 H VAL A 7 -13.231 -6.830 -26.309 1.00 0.00 H new ATOM 0 HA VAL A 7 -11.524 -6.848 -27.618 1.00 0.00 H new ATOM 0 HB VAL A 7 -11.183 -3.836 -27.267 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -10.169 -3.950 -29.537 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -9.265 -4.929 -28.358 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -10.356 -5.720 -29.521 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -12.628 -3.564 -29.268 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -12.963 -5.312 -29.257 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -13.509 -4.293 -27.905 1.00 0.00 H new ATOM 98 N LEU A 8 -9.897 -5.251 -25.181 1.00 0.00 N ATOM 99 CA LEU A 8 -8.707 -5.216 -24.292 1.00 0.00 C ATOM 100 C LEU A 8 -8.586 -6.436 -23.328 1.00 0.00 C ATOM 101 O LEU A 8 -7.579 -6.550 -22.612 1.00 0.00 O ATOM 102 CB LEU A 8 -8.783 -3.887 -23.493 1.00 0.00 C ATOM 103 CG LEU A 8 -10.038 -3.730 -22.538 1.00 0.00 C ATOM 104 CD1 LEU A 8 -9.710 -4.095 -21.079 1.00 0.00 C ATOM 105 CD2 LEU A 8 -10.682 -2.329 -22.640 1.00 0.00 C ATOM 0 H LEU A 8 -10.560 -4.502 -24.980 1.00 0.00 H new ATOM 0 HA LEU A 8 -7.812 -5.274 -24.911 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.878 -3.794 -22.892 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -8.782 -3.058 -24.201 1.00 0.00 H new ATOM 0 HG LEU A 8 -10.779 -4.448 -22.890 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -10.601 -3.972 -20.464 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -9.376 -5.131 -21.030 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.920 -3.441 -20.709 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -11.537 -2.272 -21.967 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -9.950 -1.571 -22.362 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -11.014 -2.155 -23.664 1.00 0.00 H new ATOM 117 N GLY A 9 -9.613 -7.323 -23.315 1.00 0.00 N ATOM 118 CA GLY A 9 -9.672 -8.481 -22.400 1.00 0.00 C ATOM 119 C GLY A 9 -8.504 -9.482 -22.524 1.00 0.00 C ATOM 120 O GLY A 9 -8.238 -10.247 -21.594 1.00 0.00 O ATOM 0 H GLY A 9 -10.418 -7.252 -23.937 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -9.704 -8.112 -21.375 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.606 -9.015 -22.576 1.00 0.00 H new ATOM 124 N GLN A 10 -7.831 -9.497 -23.687 1.00 0.00 N ATOM 125 CA GLN A 10 -6.642 -10.338 -23.931 1.00 0.00 C ATOM 126 C GLN A 10 -5.747 -9.683 -24.997 1.00 0.00 C ATOM 127 O GLN A 10 -6.186 -8.780 -25.729 1.00 0.00 O ATOM 128 CB GLN A 10 -7.029 -11.799 -24.359 1.00 0.00 C ATOM 129 CG GLN A 10 -7.643 -11.975 -25.786 1.00 0.00 C ATOM 130 CD GLN A 10 -9.141 -11.657 -25.922 1.00 0.00 C ATOM 131 OE1 GLN A 10 -9.711 -10.846 -25.203 1.00 0.00 O ATOM 132 NE2 GLN A 10 -9.791 -12.281 -26.879 1.00 0.00 N ATOM 0 H GLN A 10 -8.096 -8.925 -24.489 1.00 0.00 H new ATOM 0 HA GLN A 10 -6.092 -10.414 -22.993 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -6.136 -12.420 -24.294 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -7.741 -12.189 -23.632 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -7.093 -11.337 -26.477 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -7.481 -13.005 -26.105 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -9.304 -12.954 -27.471 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -10.782 -12.092 -27.030 1.00 0.00 H new ATOM 141 N ASP A 11 -4.502 -10.168 -25.090 1.00 0.00 N ATOM 142 CA ASP A 11 -3.485 -9.624 -26.010 1.00 0.00 C ATOM 143 C ASP A 11 -2.418 -10.686 -26.367 1.00 0.00 C ATOM 144 O ASP A 11 -2.103 -11.568 -25.565 1.00 0.00 O ATOM 145 CB ASP A 11 -2.825 -8.371 -25.366 1.00 0.00 C ATOM 146 CG ASP A 11 -1.754 -7.717 -26.262 1.00 0.00 C ATOM 147 OD1 ASP A 11 -2.123 -7.035 -27.240 1.00 0.00 O ATOM 148 OD2 ASP A 11 -0.544 -7.923 -26.015 1.00 0.00 O ATOM 0 H ASP A 11 -4.167 -10.951 -24.529 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.975 -9.336 -26.940 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -3.598 -7.637 -25.141 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.370 -8.656 -24.417 1.00 0.00 H new ATOM 153 N LEU A 12 -1.884 -10.594 -27.593 1.00 0.00 N ATOM 154 CA LEU A 12 -0.720 -11.394 -28.036 1.00 0.00 C ATOM 155 C LEU A 12 0.198 -10.537 -28.953 1.00 0.00 C ATOM 156 O LEU A 12 1.119 -11.044 -29.603 1.00 0.00 O ATOM 157 CB LEU A 12 -1.200 -12.709 -28.733 1.00 0.00 C ATOM 158 CG LEU A 12 -0.112 -13.823 -28.924 1.00 0.00 C ATOM 159 CD1 LEU A 12 0.526 -14.236 -27.574 1.00 0.00 C ATOM 160 CD2 LEU A 12 -0.687 -15.045 -29.676 1.00 0.00 C ATOM 0 H LEU A 12 -2.243 -9.964 -28.310 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.128 -11.689 -27.170 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.021 -13.127 -28.150 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.603 -12.451 -29.712 1.00 0.00 H new ATOM 0 HG LEU A 12 0.682 -13.401 -29.540 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.275 -15.009 -27.747 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.000 -13.368 -27.115 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.247 -14.621 -26.909 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.091 -15.799 -29.793 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.517 -15.465 -29.107 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.041 -14.734 -30.659 1.00 0.00 H new ATOM 172 N GLU A 13 -0.043 -9.210 -28.969 1.00 0.00 N ATOM 173 CA GLU A 13 0.780 -8.259 -29.739 1.00 0.00 C ATOM 174 C GLU A 13 2.075 -7.932 -28.963 1.00 0.00 C ATOM 175 O GLU A 13 3.188 -8.090 -29.483 1.00 0.00 O ATOM 176 CB GLU A 13 -0.026 -6.967 -30.057 1.00 0.00 C ATOM 177 CG GLU A 13 -1.355 -7.203 -30.815 1.00 0.00 C ATOM 178 CD GLU A 13 -1.176 -7.953 -32.149 1.00 0.00 C ATOM 179 OE1 GLU A 13 -0.719 -7.333 -33.135 1.00 0.00 O ATOM 180 OE2 GLU A 13 -1.492 -9.162 -32.219 1.00 0.00 O ATOM 0 H GLU A 13 -0.806 -8.772 -28.453 1.00 0.00 H new ATOM 0 HA GLU A 13 1.055 -8.719 -30.688 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.244 -6.452 -29.122 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.601 -6.301 -30.650 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.033 -7.770 -30.177 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.829 -6.241 -31.009 1.00 0.00 H new ATOM 187 N VAL A 14 1.916 -7.512 -27.698 1.00 0.00 N ATOM 188 CA VAL A 14 3.049 -7.174 -26.810 1.00 0.00 C ATOM 189 C VAL A 14 3.128 -8.119 -25.563 1.00 0.00 C ATOM 190 O VAL A 14 4.050 -8.942 -25.493 1.00 0.00 O ATOM 191 CB VAL A 14 3.034 -5.643 -26.422 1.00 0.00 C ATOM 192 CG1 VAL A 14 1.686 -5.187 -25.796 1.00 0.00 C ATOM 193 CG2 VAL A 14 4.254 -5.295 -25.530 1.00 0.00 C ATOM 0 H VAL A 14 1.003 -7.396 -27.259 1.00 0.00 H new ATOM 0 HA VAL A 14 3.968 -7.348 -27.369 1.00 0.00 H new ATOM 0 HB VAL A 14 3.124 -5.073 -27.347 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.739 -4.126 -25.551 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.879 -5.355 -26.509 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.494 -5.760 -24.889 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.227 -4.236 -25.273 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.220 -5.891 -24.618 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.175 -5.513 -26.071 1.00 0.00 H new ATOM 203 N CYS A 15 2.148 -8.029 -24.621 1.00 0.00 N ATOM 204 CA CYS A 15 2.152 -8.784 -23.325 1.00 0.00 C ATOM 205 C CYS A 15 3.506 -8.698 -22.570 1.00 0.00 C ATOM 206 O CYS A 15 4.085 -9.718 -22.168 1.00 0.00 O ATOM 207 CB CYS A 15 1.694 -10.247 -23.522 1.00 0.00 C ATOM 208 SG CYS A 15 -0.063 -10.415 -23.894 1.00 0.00 S ATOM 0 H CYS A 15 1.329 -7.431 -24.735 1.00 0.00 H new ATOM 0 HA CYS A 15 1.423 -8.291 -22.682 1.00 0.00 H new ATOM 0 HB2 CYS A 15 2.272 -10.693 -24.332 1.00 0.00 H new ATOM 0 HB3 CYS A 15 1.921 -10.814 -22.619 1.00 0.00 H new ATOM 0 HG CYS A 15 -0.221 -11.262 -24.867 1.00 0.00 H new ATOM 214 N CYS A 16 3.996 -7.462 -22.385 1.00 0.00 N ATOM 215 CA CYS A 16 5.247 -7.192 -21.643 1.00 0.00 C ATOM 216 C CYS A 16 5.005 -7.310 -20.129 1.00 0.00 C ATOM 217 O CYS A 16 4.033 -6.741 -19.637 1.00 0.00 O ATOM 218 CB CYS A 16 5.775 -5.781 -21.986 1.00 0.00 C ATOM 219 SG CYS A 16 7.245 -5.273 -21.067 1.00 0.00 S ATOM 0 H CYS A 16 3.541 -6.622 -22.742 1.00 0.00 H new ATOM 0 HA CYS A 16 5.993 -7.930 -21.938 1.00 0.00 H new ATOM 0 HB2 CYS A 16 6.000 -5.743 -23.052 1.00 0.00 H new ATOM 0 HB3 CYS A 16 4.981 -5.057 -21.801 1.00 0.00 H new ATOM 0 HG CYS A 16 7.597 -4.078 -21.438 1.00 0.00 H new ATOM 225 N CYS A 17 5.881 -8.073 -19.428 1.00 0.00 N ATOM 226 CA CYS A 17 5.832 -8.306 -17.950 1.00 0.00 C ATOM 227 C CYS A 17 4.614 -9.177 -17.516 1.00 0.00 C ATOM 228 O CYS A 17 4.784 -10.282 -16.981 1.00 0.00 O ATOM 229 CB CYS A 17 5.868 -6.981 -17.150 1.00 0.00 C ATOM 230 SG CYS A 17 5.838 -7.189 -15.346 1.00 0.00 S ATOM 0 H CYS A 17 6.659 -8.556 -19.877 1.00 0.00 H new ATOM 0 HA CYS A 17 6.734 -8.869 -17.711 1.00 0.00 H new ATOM 0 HB2 CYS A 17 6.767 -6.430 -17.425 1.00 0.00 H new ATOM 0 HB3 CYS A 17 5.016 -6.369 -17.447 1.00 0.00 H new ATOM 0 HG CYS A 17 5.873 -6.022 -14.774 1.00 0.00 H new ATOM 236 N ALA A 18 3.398 -8.660 -17.734 1.00 0.00 N ATOM 237 CA ALA A 18 2.127 -9.346 -17.418 1.00 0.00 C ATOM 238 C ALA A 18 1.316 -9.633 -18.713 1.00 0.00 C ATOM 239 O ALA A 18 1.571 -9.009 -19.751 1.00 0.00 O ATOM 240 CB ALA A 18 1.309 -8.460 -16.451 1.00 0.00 C ATOM 0 H ALA A 18 3.262 -7.735 -18.143 1.00 0.00 H new ATOM 0 HA ALA A 18 2.342 -10.304 -16.945 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.369 -8.956 -16.211 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.878 -8.298 -15.536 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.102 -7.500 -16.924 1.00 0.00 H new ATOM 246 N PRO A 19 0.339 -10.603 -18.694 1.00 0.00 N ATOM 247 CA PRO A 19 -0.661 -10.743 -19.784 1.00 0.00 C ATOM 248 C PRO A 19 -1.695 -9.580 -19.782 1.00 0.00 C ATOM 249 O PRO A 19 -1.738 -8.777 -18.837 1.00 0.00 O ATOM 250 CB PRO A 19 -1.347 -12.118 -19.485 1.00 0.00 C ATOM 251 CG PRO A 19 -0.466 -12.785 -18.461 1.00 0.00 C ATOM 252 CD PRO A 19 0.155 -11.661 -17.664 1.00 0.00 C ATOM 0 HA PRO A 19 -0.202 -10.704 -20.772 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.358 -11.979 -19.103 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.428 -12.722 -20.388 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.045 -13.448 -17.818 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.300 -13.395 -18.940 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.495 -11.330 -16.854 1.00 0.00 H new ATOM 0 HD3 PRO A 19 1.102 -11.958 -17.213 1.00 0.00 H new ATOM 260 N MET A 20 -2.510 -9.511 -20.860 1.00 0.00 N ATOM 261 CA MET A 20 -3.632 -8.538 -21.013 1.00 0.00 C ATOM 262 C MET A 20 -3.159 -7.057 -21.128 1.00 0.00 C ATOM 263 O MET A 20 -3.976 -6.143 -20.998 1.00 0.00 O ATOM 264 CB MET A 20 -4.675 -8.698 -19.854 1.00 0.00 C ATOM 265 CG MET A 20 -5.335 -10.082 -19.753 1.00 0.00 C ATOM 266 SD MET A 20 -6.370 -10.261 -18.278 1.00 0.00 S ATOM 267 CE MET A 20 -7.577 -8.952 -18.506 1.00 0.00 C ATOM 0 H MET A 20 -2.411 -10.134 -21.661 1.00 0.00 H new ATOM 0 HA MET A 20 -4.113 -8.780 -21.961 1.00 0.00 H new ATOM 0 HB2 MET A 20 -4.179 -8.480 -18.908 1.00 0.00 H new ATOM 0 HB3 MET A 20 -5.456 -7.949 -19.984 1.00 0.00 H new ATOM 0 HG2 MET A 20 -5.943 -10.255 -20.641 1.00 0.00 H new ATOM 0 HG3 MET A 20 -4.560 -10.849 -19.743 1.00 0.00 H new ATOM 0 HE1 MET A 20 -8.530 -9.256 -18.072 1.00 0.00 H new ATOM 0 HE2 MET A 20 -7.227 -8.045 -18.014 1.00 0.00 H new ATOM 0 HE3 MET A 20 -7.708 -8.760 -19.571 1.00 0.00 H new ATOM 277 N THR A 21 -1.852 -6.817 -21.386 1.00 0.00 N ATOM 278 CA THR A 21 -1.314 -5.440 -21.550 1.00 0.00 C ATOM 279 C THR A 21 -1.616 -4.904 -22.975 1.00 0.00 C ATOM 280 O THR A 21 -1.136 -5.464 -23.963 1.00 0.00 O ATOM 281 CB THR A 21 0.235 -5.354 -21.268 1.00 0.00 C ATOM 282 OG1 THR A 21 0.995 -6.059 -22.268 1.00 0.00 O ATOM 283 CG2 THR A 21 0.594 -5.921 -19.882 1.00 0.00 C ATOM 0 H THR A 21 -1.152 -7.552 -21.485 1.00 0.00 H new ATOM 0 HA THR A 21 -1.817 -4.820 -20.808 1.00 0.00 H new ATOM 0 HB THR A 21 0.492 -4.295 -21.299 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.460 -6.145 -23.085 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.670 -5.844 -19.725 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.073 -5.354 -19.111 1.00 0.00 H new ATOM 0 HG23 THR A 21 0.293 -6.967 -19.828 1.00 0.00 H new ATOM 291 N GLY A 22 -2.453 -3.851 -23.062 1.00 0.00 N ATOM 292 CA GLY A 22 -2.794 -3.220 -24.346 1.00 0.00 C ATOM 293 C GLY A 22 -1.705 -2.257 -24.837 1.00 0.00 C ATOM 294 O GLY A 22 -0.674 -2.695 -25.362 1.00 0.00 O ATOM 0 H GLY A 22 -2.904 -3.421 -22.255 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.954 -3.994 -25.096 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -3.734 -2.678 -24.242 1.00 0.00 H new ATOM 298 N TRP A 23 -1.935 -0.942 -24.652 1.00 0.00 N ATOM 299 CA TRP A 23 -0.971 0.116 -25.044 1.00 0.00 C ATOM 300 C TRP A 23 -1.096 1.356 -24.127 1.00 0.00 C ATOM 301 O TRP A 23 -2.057 1.480 -23.358 1.00 0.00 O ATOM 302 CB TRP A 23 -1.173 0.524 -26.535 1.00 0.00 C ATOM 303 CG TRP A 23 -2.523 1.151 -26.846 1.00 0.00 C ATOM 304 CD1 TRP A 23 -3.700 0.499 -27.110 1.00 0.00 C ATOM 305 CD2 TRP A 23 -2.827 2.560 -26.931 1.00 0.00 C ATOM 306 NE1 TRP A 23 -4.702 1.407 -27.342 1.00 0.00 N ATOM 307 CE2 TRP A 23 -4.194 2.676 -27.237 1.00 0.00 C ATOM 308 CE3 TRP A 23 -2.070 3.728 -26.770 1.00 0.00 C ATOM 309 CZ2 TRP A 23 -4.823 3.911 -27.391 1.00 0.00 C ATOM 310 CZ3 TRP A 23 -2.693 4.954 -26.923 1.00 0.00 C ATOM 311 CH2 TRP A 23 -4.061 5.039 -27.225 1.00 0.00 C ATOM 0 H TRP A 23 -2.790 -0.580 -24.229 1.00 0.00 H new ATOM 0 HA TRP A 23 0.033 -0.293 -24.928 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -0.388 1.227 -26.814 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -1.046 -0.360 -27.160 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -3.821 -0.574 -27.132 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -5.671 1.175 -27.558 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -1.018 3.672 -26.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -5.874 3.977 -27.633 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -2.117 5.860 -26.808 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -4.522 6.010 -27.329 1.00 0.00 H new ATOM 322 N TYR A 24 -0.109 2.265 -24.233 1.00 0.00 N ATOM 323 CA TYR A 24 -0.110 3.576 -23.538 1.00 0.00 C ATOM 324 C TYR A 24 0.980 4.486 -24.154 1.00 0.00 C ATOM 325 O TYR A 24 0.683 5.581 -24.650 1.00 0.00 O ATOM 326 CB TYR A 24 0.108 3.397 -22.007 1.00 0.00 C ATOM 327 CG TYR A 24 0.098 4.688 -21.173 1.00 0.00 C ATOM 328 CD1 TYR A 24 -1.105 5.313 -20.828 1.00 0.00 C ATOM 329 CD2 TYR A 24 1.289 5.274 -20.725 1.00 0.00 C ATOM 330 CE1 TYR A 24 -1.117 6.471 -20.077 1.00 0.00 C ATOM 331 CE2 TYR A 24 1.276 6.431 -19.976 1.00 0.00 C ATOM 332 CZ TYR A 24 0.073 7.026 -19.653 1.00 0.00 C ATOM 333 OH TYR A 24 0.060 8.192 -18.908 1.00 0.00 O ATOM 0 H TYR A 24 0.721 2.114 -24.807 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.083 4.049 -23.673 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.668 2.734 -21.624 1.00 0.00 H new ATOM 0 HB3 TYR A 24 1.063 2.894 -21.852 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -2.040 4.882 -21.155 1.00 0.00 H new ATOM 0 HD2 TYR A 24 2.233 4.811 -20.971 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.055 6.941 -19.822 1.00 0.00 H new ATOM 0 HE2 TYR A 24 2.204 6.871 -19.643 1.00 0.00 H new ATOM 0 HH TYR A 24 0.980 8.450 -18.688 1.00 0.00 H new ATOM 343 N ARG A 25 2.248 4.012 -24.135 1.00 0.00 N ATOM 344 CA ARG A 25 3.403 4.764 -24.688 1.00 0.00 C ATOM 345 C ARG A 25 4.080 3.995 -25.856 1.00 0.00 C ATOM 346 O ARG A 25 3.881 4.328 -27.031 1.00 0.00 O ATOM 347 CB ARG A 25 4.431 5.073 -23.563 1.00 0.00 C ATOM 348 CG ARG A 25 5.619 5.968 -24.005 1.00 0.00 C ATOM 349 CD ARG A 25 6.641 6.182 -22.880 1.00 0.00 C ATOM 350 NE ARG A 25 7.717 7.117 -23.254 1.00 0.00 N ATOM 351 CZ ARG A 25 9.007 6.865 -23.200 1.00 0.00 C ATOM 352 NH1 ARG A 25 9.455 5.689 -22.881 1.00 0.00 N ATOM 353 NH2 ARG A 25 9.855 7.793 -23.489 1.00 0.00 N ATOM 0 H ARG A 25 2.500 3.106 -23.740 1.00 0.00 H new ATOM 0 HA ARG A 25 3.029 5.705 -25.091 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.912 5.561 -22.738 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.825 4.132 -23.179 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.116 5.511 -24.861 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.239 6.935 -24.335 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.127 6.561 -21.997 1.00 0.00 H new ATOM 0 HD3 ARG A 25 7.079 5.222 -22.606 1.00 0.00 H new ATOM 0 HE ARG A 25 7.437 8.041 -23.584 1.00 0.00 H new ATOM 0 HH11 ARG A 25 8.802 4.936 -22.665 1.00 0.00 H new ATOM 0 HH12 ARG A 25 10.460 5.518 -22.846 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.525 8.720 -23.759 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.856 7.600 -23.448 1.00 0.00 H new ATOM 367 N ASN A 26 4.854 2.941 -25.527 1.00 0.00 N ATOM 368 CA ASN A 26 5.706 2.218 -26.504 1.00 0.00 C ATOM 369 C ASN A 26 5.343 0.712 -26.525 1.00 0.00 C ATOM 370 O ASN A 26 5.873 -0.068 -25.730 1.00 0.00 O ATOM 371 CB ASN A 26 7.207 2.444 -26.143 1.00 0.00 C ATOM 372 CG ASN A 26 8.185 1.867 -27.176 1.00 0.00 C ATOM 373 OD1 ASN A 26 8.593 2.547 -28.112 1.00 0.00 O ATOM 374 ND2 ASN A 26 8.564 0.614 -27.021 1.00 0.00 N ATOM 0 H ASN A 26 4.909 2.565 -24.580 1.00 0.00 H new ATOM 0 HA ASN A 26 5.530 2.607 -27.507 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.390 3.514 -26.041 1.00 0.00 H new ATOM 0 HB3 ASN A 26 7.410 1.992 -25.172 1.00 0.00 H new ATOM 0 HD21 ASN A 26 9.210 0.190 -27.687 1.00 0.00 H new ATOM 0 HD22 ASN A 26 8.211 0.068 -26.235 1.00 0.00 H new ATOM 381 N GLY A 27 4.402 0.330 -27.418 1.00 0.00 N ATOM 382 CA GLY A 27 3.944 -1.071 -27.550 1.00 0.00 C ATOM 383 C GLY A 27 3.042 -1.526 -26.393 1.00 0.00 C ATOM 384 O GLY A 27 1.821 -1.620 -26.548 1.00 0.00 O ATOM 0 H GLY A 27 3.944 0.976 -28.060 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.402 -1.182 -28.489 1.00 0.00 H new ATOM 0 HA3 GLY A 27 4.813 -1.727 -27.604 1.00 0.00 H new ATOM 388 N PHE A 28 3.668 -1.797 -25.229 1.00 0.00 N ATOM 389 CA PHE A 28 2.963 -2.139 -23.970 1.00 0.00 C ATOM 390 C PHE A 28 2.283 -0.899 -23.335 1.00 0.00 C ATOM 391 O PHE A 28 2.328 0.218 -23.884 1.00 0.00 O ATOM 392 CB PHE A 28 3.958 -2.783 -22.948 1.00 0.00 C ATOM 393 CG PHE A 28 5.204 -1.940 -22.619 1.00 0.00 C ATOM 394 CD1 PHE A 28 5.197 -1.011 -21.574 1.00 0.00 C ATOM 395 CD2 PHE A 28 6.379 -2.069 -23.367 1.00 0.00 C ATOM 396 CE1 PHE A 28 6.312 -0.243 -21.292 1.00 0.00 C ATOM 397 CE2 PHE A 28 7.493 -1.298 -23.084 1.00 0.00 C ATOM 398 CZ PHE A 28 7.458 -0.385 -22.049 1.00 0.00 C ATOM 0 H PHE A 28 4.683 -1.785 -25.133 1.00 0.00 H new ATOM 0 HA PHE A 28 2.182 -2.858 -24.218 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.421 -2.984 -22.021 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.285 -3.745 -23.342 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.305 -0.891 -20.977 1.00 0.00 H new ATOM 0 HD2 PHE A 28 6.417 -2.781 -24.178 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.286 0.468 -20.479 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.391 -1.411 -23.674 1.00 0.00 H new ATOM 0 HZ PHE A 28 8.327 0.218 -21.831 1.00 0.00 H new ATOM 408 N CYS A 29 1.672 -1.104 -22.152 1.00 0.00 N ATOM 409 CA CYS A 29 1.120 -0.005 -21.342 1.00 0.00 C ATOM 410 C CYS A 29 2.269 0.825 -20.674 1.00 0.00 C ATOM 411 O CYS A 29 2.817 1.745 -21.299 1.00 0.00 O ATOM 412 CB CYS A 29 0.107 -0.560 -20.306 1.00 0.00 C ATOM 413 SG CYS A 29 -1.260 -1.486 -21.047 1.00 0.00 S ATOM 0 H CYS A 29 1.549 -2.027 -21.736 1.00 0.00 H new ATOM 0 HA CYS A 29 0.576 0.681 -21.992 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.635 -1.207 -19.606 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.299 0.270 -19.728 1.00 0.00 H new ATOM 0 HG CYS A 29 -2.053 -1.913 -20.110 1.00 0.00 H new ATOM 419 N GLN A 30 2.678 0.447 -19.441 1.00 0.00 N ATOM 420 CA GLN A 30 3.729 1.173 -18.667 1.00 0.00 C ATOM 421 C GLN A 30 4.349 0.263 -17.574 1.00 0.00 C ATOM 422 O GLN A 30 4.937 0.736 -16.597 1.00 0.00 O ATOM 423 CB GLN A 30 3.119 2.458 -18.045 1.00 0.00 C ATOM 424 CG GLN A 30 1.926 2.230 -17.095 1.00 0.00 C ATOM 425 CD GLN A 30 1.314 3.532 -16.569 1.00 0.00 C ATOM 426 OE1 GLN A 30 1.323 4.558 -17.238 1.00 0.00 O ATOM 427 NE2 GLN A 30 0.780 3.507 -15.366 1.00 0.00 N ATOM 0 H GLN A 30 2.296 -0.363 -18.952 1.00 0.00 H new ATOM 0 HA GLN A 30 4.534 1.456 -19.345 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.902 2.984 -17.498 1.00 0.00 H new ATOM 0 HB3 GLN A 30 2.798 3.115 -18.853 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.158 1.661 -17.618 1.00 0.00 H new ATOM 0 HG3 GLN A 30 2.253 1.623 -16.251 1.00 0.00 H new ATOM 0 HE21 GLN A 30 0.783 2.642 -14.825 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.364 4.352 -14.975 1.00 0.00 H new ATOM 436 N THR A 31 4.272 -1.053 -17.814 1.00 0.00 N ATOM 437 CA THR A 31 4.602 -2.109 -16.818 1.00 0.00 C ATOM 438 C THR A 31 6.113 -2.507 -16.824 1.00 0.00 C ATOM 439 O THR A 31 6.521 -3.437 -16.119 1.00 0.00 O ATOM 440 CB THR A 31 3.685 -3.361 -17.068 1.00 0.00 C ATOM 441 OG1 THR A 31 3.958 -4.425 -16.132 1.00 0.00 O ATOM 442 CG2 THR A 31 3.821 -3.889 -18.509 1.00 0.00 C ATOM 0 H THR A 31 3.976 -1.430 -18.714 1.00 0.00 H new ATOM 0 HA THR A 31 4.409 -1.701 -15.826 1.00 0.00 H new ATOM 0 HB THR A 31 2.660 -3.023 -16.916 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.913 -4.432 -15.914 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.172 -4.754 -18.642 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.532 -3.107 -19.212 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.855 -4.179 -18.694 1.00 0.00 H new ATOM 450 N ASP A 32 6.942 -1.766 -17.583 1.00 0.00 N ATOM 451 CA ASP A 32 8.402 -2.002 -17.654 1.00 0.00 C ATOM 452 C ASP A 32 9.166 -0.964 -16.779 1.00 0.00 C ATOM 453 O ASP A 32 9.617 -1.285 -15.674 1.00 0.00 O ATOM 454 CB ASP A 32 8.852 -1.974 -19.139 1.00 0.00 C ATOM 455 CG ASP A 32 10.359 -2.200 -19.332 1.00 0.00 C ATOM 456 OD1 ASP A 32 10.831 -3.337 -19.122 1.00 0.00 O ATOM 457 OD2 ASP A 32 11.080 -1.244 -19.680 1.00 0.00 O ATOM 0 H ASP A 32 6.624 -0.990 -18.163 1.00 0.00 H new ATOM 0 HA ASP A 32 8.642 -2.985 -17.249 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.305 -2.740 -19.690 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.579 -1.013 -19.574 1.00 0.00 H new ATOM 462 N VAL A 33 9.295 0.276 -17.286 1.00 0.00 N ATOM 463 CA VAL A 33 9.863 1.429 -16.537 1.00 0.00 C ATOM 464 C VAL A 33 9.166 2.736 -16.984 1.00 0.00 C ATOM 465 O VAL A 33 8.836 3.598 -16.152 1.00 0.00 O ATOM 466 CB VAL A 33 11.439 1.563 -16.734 1.00 0.00 C ATOM 467 CG1 VAL A 33 11.830 1.741 -18.230 1.00 0.00 C ATOM 468 CG2 VAL A 33 12.030 2.712 -15.865 1.00 0.00 C ATOM 0 H VAL A 33 9.007 0.515 -18.235 1.00 0.00 H new ATOM 0 HA VAL A 33 9.682 1.251 -15.477 1.00 0.00 H new ATOM 0 HB VAL A 33 11.876 0.625 -16.393 1.00 0.00 H new ATOM 0 HG11 VAL A 33 12.913 1.828 -18.315 1.00 0.00 H new ATOM 0 HG12 VAL A 33 11.490 0.877 -18.800 1.00 0.00 H new ATOM 0 HG13 VAL A 33 11.361 2.643 -18.624 1.00 0.00 H new ATOM 0 HG21 VAL A 33 13.106 2.773 -16.026 1.00 0.00 H new ATOM 0 HG22 VAL A 33 11.567 3.657 -16.148 1.00 0.00 H new ATOM 0 HG23 VAL A 33 11.831 2.511 -14.812 1.00 0.00 H new ATOM 478 N GLN A 34 8.935 2.826 -18.315 1.00 0.00 N ATOM 479 CA GLN A 34 8.452 4.018 -19.028 1.00 0.00 C ATOM 480 C GLN A 34 9.466 5.201 -18.943 1.00 0.00 C ATOM 481 O GLN A 34 10.189 5.468 -19.904 1.00 0.00 O ATOM 482 CB GLN A 34 7.028 4.441 -18.564 1.00 0.00 C ATOM 483 CG GLN A 34 6.413 5.528 -19.459 1.00 0.00 C ATOM 484 CD GLN A 34 5.025 6.016 -19.045 1.00 0.00 C ATOM 485 OE1 GLN A 34 4.248 5.300 -18.445 1.00 0.00 O ATOM 486 NE2 GLN A 34 4.694 7.240 -19.401 1.00 0.00 N ATOM 0 H GLN A 34 9.088 2.035 -18.941 1.00 0.00 H new ATOM 0 HA GLN A 34 8.373 3.743 -20.080 1.00 0.00 H new ATOM 0 HB2 GLN A 34 6.377 3.567 -18.561 1.00 0.00 H new ATOM 0 HB3 GLN A 34 7.078 4.806 -17.538 1.00 0.00 H new ATOM 0 HG2 GLN A 34 7.089 6.383 -19.478 1.00 0.00 H new ATOM 0 HG3 GLN A 34 6.355 5.145 -20.478 1.00 0.00 H new ATOM 0 HE21 GLN A 34 5.363 7.823 -19.904 1.00 0.00 H new ATOM 0 HE22 GLN A 34 3.769 7.605 -19.174 1.00 0.00 H new ATOM 495 N ASP A 35 9.511 5.888 -17.782 1.00 0.00 N ATOM 496 CA ASP A 35 10.417 7.044 -17.526 1.00 0.00 C ATOM 497 C ASP A 35 10.990 6.985 -16.083 1.00 0.00 C ATOM 498 O ASP A 35 10.720 6.037 -15.332 1.00 0.00 O ATOM 499 CB ASP A 35 9.657 8.384 -17.750 1.00 0.00 C ATOM 500 CG ASP A 35 9.291 8.650 -19.224 1.00 0.00 C ATOM 501 OD1 ASP A 35 10.193 9.031 -20.003 1.00 0.00 O ATOM 502 OD2 ASP A 35 8.110 8.488 -19.605 1.00 0.00 O ATOM 0 H ASP A 35 8.917 5.659 -16.985 1.00 0.00 H new ATOM 0 HA ASP A 35 11.249 6.990 -18.228 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.745 8.378 -17.154 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.272 9.206 -17.384 1.00 0.00 H new ATOM 507 N ARG A 36 11.751 8.027 -15.691 1.00 0.00 N ATOM 508 CA ARG A 36 12.398 8.118 -14.347 1.00 0.00 C ATOM 509 C ARG A 36 11.427 8.676 -13.253 1.00 0.00 C ATOM 510 O ARG A 36 11.854 9.369 -12.317 1.00 0.00 O ATOM 511 CB ARG A 36 13.686 8.996 -14.458 1.00 0.00 C ATOM 512 CG ARG A 36 13.440 10.474 -14.858 1.00 0.00 C ATOM 513 CD ARG A 36 14.746 11.280 -15.011 1.00 0.00 C ATOM 514 NE ARG A 36 15.592 11.234 -13.797 1.00 0.00 N ATOM 515 CZ ARG A 36 15.736 12.201 -12.912 1.00 0.00 C ATOM 516 NH1 ARG A 36 15.095 13.319 -13.010 1.00 0.00 N ATOM 517 NH2 ARG A 36 16.539 12.027 -11.917 1.00 0.00 N ATOM 0 H ARG A 36 11.940 8.832 -16.288 1.00 0.00 H new ATOM 0 HA ARG A 36 12.667 7.111 -14.028 1.00 0.00 H new ATOM 0 HB2 ARG A 36 14.204 8.976 -13.499 1.00 0.00 H new ATOM 0 HB3 ARG A 36 14.354 8.543 -15.191 1.00 0.00 H new ATOM 0 HG2 ARG A 36 12.888 10.504 -15.798 1.00 0.00 H new ATOM 0 HG3 ARG A 36 12.812 10.949 -14.105 1.00 0.00 H new ATOM 0 HD2 ARG A 36 15.311 10.890 -15.858 1.00 0.00 H new ATOM 0 HD3 ARG A 36 14.503 12.318 -15.240 1.00 0.00 H new ATOM 0 HE ARG A 36 16.113 10.373 -13.629 1.00 0.00 H new ATOM 0 HH11 ARG A 36 14.455 13.473 -13.789 1.00 0.00 H new ATOM 0 HH12 ARG A 36 15.229 14.047 -12.308 1.00 0.00 H new ATOM 0 HH21 ARG A 36 17.052 11.150 -11.823 1.00 0.00 H new ATOM 0 HH22 ARG A 36 16.661 12.766 -11.225 1.00 0.00 H new ATOM 531 N GLY A 37 10.130 8.313 -13.343 1.00 0.00 N ATOM 532 CA GLY A 37 9.094 8.824 -12.425 1.00 0.00 C ATOM 533 C GLY A 37 8.790 7.885 -11.254 1.00 0.00 C ATOM 534 O GLY A 37 9.708 7.438 -10.554 1.00 0.00 O ATOM 0 H GLY A 37 9.776 7.665 -14.046 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.414 9.789 -12.032 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.177 8.997 -12.987 1.00 0.00 H new ATOM 538 N SER A 38 7.490 7.581 -11.050 1.00 0.00 N ATOM 539 CA SER A 38 7.004 6.768 -9.901 1.00 0.00 C ATOM 540 C SER A 38 7.187 5.248 -10.117 1.00 0.00 C ATOM 541 O SER A 38 7.013 4.463 -9.172 1.00 0.00 O ATOM 542 CB SER A 38 5.514 7.084 -9.634 1.00 0.00 C ATOM 543 OG SER A 38 5.015 6.420 -8.476 1.00 0.00 O ATOM 0 H SER A 38 6.744 7.889 -11.674 1.00 0.00 H new ATOM 0 HA SER A 38 7.611 7.040 -9.037 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.390 8.160 -9.514 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.922 6.790 -10.501 1.00 0.00 H new ATOM 0 HG SER A 38 5.483 5.567 -8.361 1.00 0.00 H new ATOM 549 N HIS A 39 7.523 4.850 -11.364 1.00 0.00 N ATOM 550 CA HIS A 39 7.741 3.438 -11.765 1.00 0.00 C ATOM 551 C HIS A 39 6.455 2.575 -11.614 1.00 0.00 C ATOM 552 O HIS A 39 5.340 3.112 -11.523 1.00 0.00 O ATOM 553 CB HIS A 39 8.962 2.841 -11.002 1.00 0.00 C ATOM 554 CG HIS A 39 10.248 3.552 -11.319 1.00 0.00 C ATOM 555 ND1 HIS A 39 10.805 4.514 -10.508 1.00 0.00 N ATOM 556 CD2 HIS A 39 11.077 3.441 -12.380 1.00 0.00 C ATOM 557 CE1 HIS A 39 11.913 4.965 -11.055 1.00 0.00 C ATOM 558 NE2 HIS A 39 12.103 4.329 -12.191 1.00 0.00 N ATOM 0 H HIS A 39 7.653 5.508 -12.133 1.00 0.00 H new ATOM 0 HA HIS A 39 7.977 3.421 -12.829 1.00 0.00 H new ATOM 0 HB2 HIS A 39 8.777 2.895 -9.929 1.00 0.00 H new ATOM 0 HB3 HIS A 39 9.063 1.786 -11.255 1.00 0.00 H new ATOM 0 HD2 HIS A 39 10.954 2.775 -13.221 1.00 0.00 H new ATOM 0 HE1 HIS A 39 12.557 5.727 -10.642 1.00 0.00 H new ATOM 0 HE2 HIS A 39 12.887 4.474 -12.828 1.00 0.00 H new ATOM 567 N THR A 40 6.608 1.238 -11.614 1.00 0.00 N ATOM 568 CA THR A 40 5.462 0.303 -11.668 1.00 0.00 C ATOM 569 C THR A 40 5.048 -0.148 -10.247 1.00 0.00 C ATOM 570 O THR A 40 5.726 -0.957 -9.601 1.00 0.00 O ATOM 571 CB THR A 40 5.794 -0.945 -12.572 1.00 0.00 C ATOM 572 OG1 THR A 40 6.694 -1.843 -11.909 1.00 0.00 O ATOM 573 CG2 THR A 40 6.447 -0.522 -13.894 1.00 0.00 C ATOM 0 H THR A 40 7.517 0.777 -11.577 1.00 0.00 H new ATOM 0 HA THR A 40 4.621 0.832 -12.115 1.00 0.00 H new ATOM 0 HB THR A 40 4.844 -1.442 -12.768 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.409 -1.965 -10.979 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.663 -1.407 -14.493 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.768 0.131 -14.443 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.375 0.011 -13.687 1.00 0.00 H new ATOM 581 N VAL A 41 3.952 0.431 -9.733 1.00 0.00 N ATOM 582 CA VAL A 41 3.357 0.028 -8.444 1.00 0.00 C ATOM 583 C VAL A 41 1.854 -0.264 -8.630 1.00 0.00 C ATOM 584 O VAL A 41 1.047 0.660 -8.732 1.00 0.00 O ATOM 585 CB VAL A 41 3.531 1.118 -7.315 1.00 0.00 C ATOM 586 CG1 VAL A 41 2.998 0.580 -5.956 1.00 0.00 C ATOM 587 CG2 VAL A 41 5.002 1.610 -7.198 1.00 0.00 C ATOM 0 H VAL A 41 3.452 1.190 -10.196 1.00 0.00 H new ATOM 0 HA VAL A 41 3.890 -0.867 -8.122 1.00 0.00 H new ATOM 0 HB VAL A 41 2.936 1.987 -7.597 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.125 1.343 -5.188 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.941 0.334 -6.052 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.555 -0.314 -5.675 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.074 2.359 -6.409 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.650 0.767 -6.958 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.315 2.050 -8.145 1.00 0.00 H new ATOM 597 N CYS A 42 1.484 -1.543 -8.716 1.00 0.00 N ATOM 598 CA CYS A 42 0.070 -1.964 -8.707 1.00 0.00 C ATOM 599 C CYS A 42 -0.217 -2.714 -7.398 1.00 0.00 C ATOM 600 O CYS A 42 0.180 -3.865 -7.222 1.00 0.00 O ATOM 601 CB CYS A 42 -0.227 -2.847 -9.937 1.00 0.00 C ATOM 602 SG CYS A 42 0.230 -2.079 -11.508 1.00 0.00 S ATOM 0 H CYS A 42 2.145 -2.316 -8.793 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.581 -1.092 -8.762 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.309 -3.791 -9.834 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.291 -3.085 -9.954 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.051 -2.889 -12.485 1.00 0.00 H new ATOM 608 N ALA A 43 -0.945 -2.052 -6.492 1.00 0.00 N ATOM 609 CA ALA A 43 -1.267 -2.566 -5.142 1.00 0.00 C ATOM 610 C ALA A 43 -2.722 -2.218 -4.812 1.00 0.00 C ATOM 611 O ALA A 43 -3.254 -1.225 -5.319 1.00 0.00 O ATOM 612 CB ALA A 43 -0.297 -1.981 -4.096 1.00 0.00 C ATOM 0 H ALA A 43 -1.337 -1.128 -6.672 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.150 -3.649 -5.121 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.548 -2.370 -3.109 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.725 -2.265 -4.348 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.381 -0.894 -4.090 1.00 0.00 H new ATOM 618 N GLU A 44 -3.384 -3.035 -3.995 1.00 0.00 N ATOM 619 CA GLU A 44 -4.826 -2.883 -3.736 1.00 0.00 C ATOM 620 C GLU A 44 -5.078 -2.556 -2.253 1.00 0.00 C ATOM 621 O GLU A 44 -4.875 -3.406 -1.380 1.00 0.00 O ATOM 622 CB GLU A 44 -5.577 -4.170 -4.180 1.00 0.00 C ATOM 623 CG GLU A 44 -7.021 -3.918 -4.607 1.00 0.00 C ATOM 624 CD GLU A 44 -7.734 -5.177 -5.134 1.00 0.00 C ATOM 625 OE1 GLU A 44 -7.449 -5.594 -6.280 1.00 0.00 O ATOM 626 OE2 GLU A 44 -8.581 -5.748 -4.409 1.00 0.00 O ATOM 0 H GLU A 44 -2.950 -3.812 -3.497 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.212 -2.047 -4.320 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.037 -4.629 -5.008 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.569 -4.887 -3.359 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.579 -3.523 -3.758 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.034 -3.151 -5.382 1.00 0.00 H new ATOM 633 N MET A 45 -5.477 -1.300 -1.983 1.00 0.00 N ATOM 634 CA MET A 45 -5.809 -0.821 -0.627 1.00 0.00 C ATOM 635 C MET A 45 -7.330 -0.913 -0.363 1.00 0.00 C ATOM 636 O MET A 45 -8.144 -0.866 -1.295 1.00 0.00 O ATOM 637 CB MET A 45 -5.323 0.643 -0.441 1.00 0.00 C ATOM 638 CG MET A 45 -3.826 0.855 -0.749 1.00 0.00 C ATOM 639 SD MET A 45 -2.742 -0.252 0.182 1.00 0.00 S ATOM 640 CE MET A 45 -3.086 0.230 1.874 1.00 0.00 C ATOM 0 H MET A 45 -5.579 -0.584 -2.703 1.00 0.00 H new ATOM 0 HA MET A 45 -5.298 -1.461 0.093 1.00 0.00 H new ATOM 0 HB2 MET A 45 -5.911 1.294 -1.087 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.519 0.952 0.586 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.657 0.706 -1.815 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.559 1.888 -0.525 1.00 0.00 H new ATOM 0 HE1 MET A 45 -2.702 -0.530 2.554 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.603 1.184 2.086 1.00 0.00 H new ATOM 0 HE3 MET A 45 -4.163 0.330 2.012 1.00 0.00 H new ATOM 650 N THR A 46 -7.692 -1.038 0.922 1.00 0.00 N ATOM 651 CA THR A 46 -9.096 -1.087 1.382 1.00 0.00 C ATOM 652 C THR A 46 -9.619 0.321 1.714 1.00 0.00 C ATOM 653 O THR A 46 -8.839 1.219 2.045 1.00 0.00 O ATOM 654 CB THR A 46 -9.227 -1.978 2.650 1.00 0.00 C ATOM 655 OG1 THR A 46 -8.392 -1.442 3.679 1.00 0.00 O ATOM 656 CG2 THR A 46 -8.829 -3.440 2.386 1.00 0.00 C ATOM 0 H THR A 46 -7.015 -1.109 1.682 1.00 0.00 H new ATOM 0 HA THR A 46 -9.688 -1.510 0.571 1.00 0.00 H new ATOM 0 HB THR A 46 -10.274 -1.975 2.952 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.551 -1.928 4.515 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.939 -4.018 3.303 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.474 -3.859 1.614 1.00 0.00 H new ATOM 0 HG23 THR A 46 -7.792 -3.480 2.054 1.00 0.00 H new ATOM 664 N GLU A 47 -10.952 0.492 1.666 1.00 0.00 N ATOM 665 CA GLU A 47 -11.611 1.798 1.897 1.00 0.00 C ATOM 666 C GLU A 47 -11.361 2.333 3.329 1.00 0.00 C ATOM 667 O GLU A 47 -11.374 3.537 3.543 1.00 0.00 O ATOM 668 CB GLU A 47 -13.131 1.724 1.593 1.00 0.00 C ATOM 669 CG GLU A 47 -13.814 3.108 1.487 1.00 0.00 C ATOM 670 CD GLU A 47 -15.317 3.029 1.172 1.00 0.00 C ATOM 671 OE1 GLU A 47 -16.119 2.825 2.110 1.00 0.00 O ATOM 672 OE2 GLU A 47 -15.701 3.167 -0.012 1.00 0.00 O ATOM 0 H GLU A 47 -11.605 -0.266 1.467 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.159 2.506 1.203 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.279 1.183 0.658 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.621 1.146 2.377 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.675 3.645 2.425 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.318 3.690 0.710 1.00 0.00 H new ATOM 679 N GLU A 48 -11.160 1.418 4.305 1.00 0.00 N ATOM 680 CA GLU A 48 -10.767 1.791 5.694 1.00 0.00 C ATOM 681 C GLU A 48 -9.483 2.686 5.689 1.00 0.00 C ATOM 682 O GLU A 48 -9.369 3.629 6.475 1.00 0.00 O ATOM 683 CB GLU A 48 -10.561 0.503 6.564 1.00 0.00 C ATOM 684 CG GLU A 48 -9.170 -0.170 6.467 1.00 0.00 C ATOM 685 CD GLU A 48 -9.092 -1.545 7.149 1.00 0.00 C ATOM 686 OE1 GLU A 48 -9.256 -1.611 8.387 1.00 0.00 O ATOM 687 OE2 GLU A 48 -8.864 -2.565 6.457 1.00 0.00 O ATOM 0 H GLU A 48 -11.262 0.413 4.161 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.572 2.376 6.139 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.745 0.761 7.607 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.317 -0.229 6.278 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.904 -0.282 5.416 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.427 0.489 6.915 1.00 0.00 H new ATOM 694 N PHE A 49 -8.537 2.362 4.772 1.00 0.00 N ATOM 695 CA PHE A 49 -7.330 3.166 4.527 1.00 0.00 C ATOM 696 C PHE A 49 -7.632 4.420 3.682 1.00 0.00 C ATOM 697 O PHE A 49 -7.115 5.496 3.974 1.00 0.00 O ATOM 698 CB PHE A 49 -6.224 2.330 3.830 1.00 0.00 C ATOM 699 CG PHE A 49 -4.983 3.158 3.492 1.00 0.00 C ATOM 700 CD1 PHE A 49 -4.157 3.636 4.508 1.00 0.00 C ATOM 701 CD2 PHE A 49 -4.681 3.523 2.177 1.00 0.00 C ATOM 702 CE1 PHE A 49 -3.076 4.433 4.227 1.00 0.00 C ATOM 703 CE2 PHE A 49 -3.602 4.330 1.901 1.00 0.00 C ATOM 704 CZ PHE A 49 -2.804 4.782 2.930 1.00 0.00 C ATOM 0 H PHE A 49 -8.597 1.531 4.184 1.00 0.00 H new ATOM 0 HA PHE A 49 -6.972 3.487 5.505 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.938 1.502 4.478 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -6.626 1.895 2.915 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.372 3.375 5.534 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.302 3.167 1.368 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.441 4.785 5.026 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -3.381 4.609 0.881 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.957 5.416 2.712 1.00 0.00 H new ATOM 714 N LEU A 50 -8.408 4.266 2.594 1.00 0.00 N ATOM 715 CA LEU A 50 -8.652 5.382 1.647 1.00 0.00 C ATOM 716 C LEU A 50 -9.416 6.547 2.307 1.00 0.00 C ATOM 717 O LEU A 50 -9.061 7.685 2.102 1.00 0.00 O ATOM 718 CB LEU A 50 -9.332 4.919 0.326 1.00 0.00 C ATOM 719 CG LEU A 50 -8.368 4.310 -0.738 1.00 0.00 C ATOM 720 CD1 LEU A 50 -7.878 2.925 -0.337 1.00 0.00 C ATOM 721 CD2 LEU A 50 -9.003 4.297 -2.134 1.00 0.00 C ATOM 0 H LEU A 50 -8.874 3.393 2.346 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.668 5.759 1.368 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.094 4.179 0.568 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.846 5.772 -0.118 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.494 4.959 -0.781 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.210 2.539 -1.106 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.343 2.989 0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -8.731 2.255 -0.227 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.302 3.866 -2.849 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.914 3.699 -2.114 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -9.245 5.317 -2.433 1.00 0.00 H new ATOM 733 N LEU A 51 -10.419 6.248 3.132 1.00 0.00 N ATOM 734 CA LEU A 51 -11.146 7.275 3.917 1.00 0.00 C ATOM 735 C LEU A 51 -10.215 7.953 4.962 1.00 0.00 C ATOM 736 O LEU A 51 -10.379 9.135 5.267 1.00 0.00 O ATOM 737 CB LEU A 51 -12.404 6.649 4.576 1.00 0.00 C ATOM 738 CG LEU A 51 -13.499 6.147 3.579 1.00 0.00 C ATOM 739 CD1 LEU A 51 -14.698 5.524 4.324 1.00 0.00 C ATOM 740 CD2 LEU A 51 -13.952 7.278 2.622 1.00 0.00 C ATOM 0 H LEU A 51 -10.757 5.298 3.282 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.478 8.062 3.240 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.090 5.810 5.197 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -12.852 7.388 5.241 1.00 0.00 H new ATOM 0 HG LEU A 51 -13.051 5.362 2.969 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -15.440 5.186 3.601 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -14.357 4.676 4.917 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -15.146 6.270 4.981 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -14.713 6.896 1.942 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -14.365 8.103 3.203 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -13.097 7.632 2.047 1.00 0.00 H new ATOM 752 N PHE A 52 -9.227 7.191 5.477 1.00 0.00 N ATOM 753 CA PHE A 52 -8.156 7.719 6.362 1.00 0.00 C ATOM 754 C PHE A 52 -7.208 8.694 5.593 1.00 0.00 C ATOM 755 O PHE A 52 -6.864 9.752 6.112 1.00 0.00 O ATOM 756 CB PHE A 52 -7.362 6.527 6.978 1.00 0.00 C ATOM 757 CG PHE A 52 -6.162 6.909 7.854 1.00 0.00 C ATOM 758 CD1 PHE A 52 -6.344 7.360 9.163 1.00 0.00 C ATOM 759 CD2 PHE A 52 -4.850 6.809 7.370 1.00 0.00 C ATOM 760 CE1 PHE A 52 -5.261 7.696 9.956 1.00 0.00 C ATOM 761 CE2 PHE A 52 -3.768 7.147 8.165 1.00 0.00 C ATOM 762 CZ PHE A 52 -3.974 7.591 9.458 1.00 0.00 C ATOM 0 H PHE A 52 -9.145 6.191 5.293 1.00 0.00 H new ATOM 0 HA PHE A 52 -8.615 8.294 7.166 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -8.048 5.927 7.576 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -7.008 5.892 6.166 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.344 7.448 9.562 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.681 6.463 6.361 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.421 8.041 10.967 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.764 7.064 7.775 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.131 7.856 10.079 1.00 0.00 H new ATOM 772 N SER A 53 -6.805 8.316 4.356 1.00 0.00 N ATOM 773 CA SER A 53 -5.885 9.132 3.501 1.00 0.00 C ATOM 774 C SER A 53 -6.602 10.375 2.912 1.00 0.00 C ATOM 775 O SER A 53 -5.979 11.410 2.656 1.00 0.00 O ATOM 776 CB SER A 53 -5.280 8.276 2.354 1.00 0.00 C ATOM 777 OG SER A 53 -6.276 7.831 1.445 1.00 0.00 O ATOM 0 H SER A 53 -7.102 7.444 3.918 1.00 0.00 H new ATOM 0 HA SER A 53 -5.076 9.478 4.145 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.534 8.863 1.817 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.763 7.415 2.777 1.00 0.00 H new ATOM 0 HG SER A 53 -7.155 7.877 1.875 1.00 0.00 H new ATOM 783 N ARG A 54 -7.917 10.239 2.683 1.00 0.00 N ATOM 784 CA ARG A 54 -8.796 11.342 2.235 1.00 0.00 C ATOM 785 C ARG A 54 -8.945 12.406 3.350 1.00 0.00 C ATOM 786 O ARG A 54 -8.794 13.603 3.102 1.00 0.00 O ATOM 787 CB ARG A 54 -10.183 10.767 1.796 1.00 0.00 C ATOM 788 CG ARG A 54 -10.310 10.388 0.289 1.00 0.00 C ATOM 789 CD ARG A 54 -9.119 9.599 -0.289 1.00 0.00 C ATOM 790 NE ARG A 54 -9.359 9.164 -1.673 1.00 0.00 N ATOM 791 CZ ARG A 54 -8.596 8.342 -2.363 1.00 0.00 C ATOM 792 NH1 ARG A 54 -7.484 7.863 -1.873 1.00 0.00 N ATOM 793 NH2 ARG A 54 -8.955 7.996 -3.553 1.00 0.00 N ATOM 0 H ARG A 54 -8.409 9.354 2.803 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.345 11.836 1.374 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.394 9.880 2.394 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.952 11.502 2.033 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.217 9.798 0.154 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.435 11.303 -0.290 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -8.224 10.220 -0.255 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -8.926 8.727 0.336 1.00 0.00 H new ATOM 0 HE ARG A 54 -10.189 9.531 -2.139 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -7.187 8.124 -0.933 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.913 7.228 -2.431 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -9.822 8.359 -3.950 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -8.372 7.360 -4.097 1.00 0.00 H new ATOM 807 N ASP A 55 -9.217 11.930 4.579 1.00 0.00 N ATOM 808 CA ASP A 55 -9.316 12.775 5.796 1.00 0.00 C ATOM 809 C ASP A 55 -7.925 13.340 6.215 1.00 0.00 C ATOM 810 O ASP A 55 -7.835 14.418 6.816 1.00 0.00 O ATOM 811 CB ASP A 55 -9.956 11.934 6.937 1.00 0.00 C ATOM 812 CG ASP A 55 -10.143 12.715 8.245 1.00 0.00 C ATOM 813 OD1 ASP A 55 -11.011 13.613 8.291 1.00 0.00 O ATOM 814 OD2 ASP A 55 -9.434 12.434 9.230 1.00 0.00 O ATOM 0 H ASP A 55 -9.377 10.940 4.763 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.948 13.638 5.585 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -10.925 11.563 6.604 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.330 11.063 7.130 1.00 0.00 H new ATOM 819 N ARG A 56 -6.857 12.593 5.872 1.00 0.00 N ATOM 820 CA ARG A 56 -5.442 12.996 6.088 1.00 0.00 C ATOM 821 C ARG A 56 -5.143 14.337 5.373 1.00 0.00 C ATOM 822 O ARG A 56 -4.512 15.237 5.945 1.00 0.00 O ATOM 823 CB ARG A 56 -4.513 11.874 5.541 1.00 0.00 C ATOM 824 CG ARG A 56 -3.001 12.023 5.820 1.00 0.00 C ATOM 825 CD ARG A 56 -2.638 11.806 7.297 1.00 0.00 C ATOM 826 NE ARG A 56 -1.188 11.654 7.493 1.00 0.00 N ATOM 827 CZ ARG A 56 -0.617 11.103 8.541 1.00 0.00 C ATOM 828 NH1 ARG A 56 -1.311 10.719 9.572 1.00 0.00 N ATOM 829 NH2 ARG A 56 0.660 10.946 8.555 1.00 0.00 N ATOM 0 H ARG A 56 -6.948 11.678 5.430 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.262 13.136 7.154 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.844 10.924 5.961 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.655 11.812 4.462 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.452 11.307 5.208 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.677 13.018 5.515 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.997 12.650 7.886 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.149 10.918 7.669 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.576 12.005 6.756 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.323 10.843 9.580 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -0.843 10.294 10.372 1.00 0.00 H new ATOM 0 HH21 ARG A 56 1.220 11.248 7.758 1.00 0.00 H new ATOM 0 HH22 ARG A 56 1.113 10.520 9.364 1.00 0.00 H new ATOM 843 N GLY A 57 -5.608 14.440 4.110 1.00 0.00 N ATOM 844 CA GLY A 57 -5.494 15.676 3.330 1.00 0.00 C ATOM 845 C GLY A 57 -6.624 16.669 3.639 1.00 0.00 C ATOM 846 O GLY A 57 -6.403 17.684 4.316 1.00 0.00 O ATOM 0 H GLY A 57 -6.066 13.676 3.614 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.533 16.147 3.538 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.507 15.434 2.267 1.00 0.00 H new ATOM 850 N ASN A 58 -7.849 16.356 3.156 1.00 0.00 N ATOM 851 CA ASN A 58 -9.050 17.202 3.370 1.00 0.00 C ATOM 852 C ASN A 58 -10.348 16.389 3.086 1.00 0.00 C ATOM 853 O ASN A 58 -11.061 16.012 4.021 1.00 0.00 O ATOM 854 CB ASN A 58 -8.979 18.481 2.488 1.00 0.00 C ATOM 855 CG ASN A 58 -10.107 19.483 2.750 1.00 0.00 C ATOM 856 OD1 ASN A 58 -10.611 19.600 3.862 1.00 0.00 O ATOM 857 ND2 ASN A 58 -10.500 20.231 1.738 1.00 0.00 N ATOM 0 H ASN A 58 -8.034 15.515 2.610 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.075 17.517 4.413 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -8.022 18.974 2.658 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -9.004 18.188 1.438 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -11.237 20.924 1.872 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -10.067 20.117 0.821 1.00 0.00 H new ATOM 864 N ASP A 59 -10.631 16.104 1.788 1.00 0.00 N ATOM 865 CA ASP A 59 -11.797 15.277 1.367 1.00 0.00 C ATOM 866 C ASP A 59 -11.425 14.353 0.173 1.00 0.00 C ATOM 867 O ASP A 59 -11.720 13.160 0.202 1.00 0.00 O ATOM 868 CB ASP A 59 -13.043 16.165 1.043 1.00 0.00 C ATOM 869 CG ASP A 59 -12.814 17.213 -0.068 1.00 0.00 C ATOM 870 OD1 ASP A 59 -12.323 18.326 0.239 1.00 0.00 O ATOM 871 OD2 ASP A 59 -13.109 16.929 -1.253 1.00 0.00 O ATOM 0 H ASP A 59 -10.064 16.437 1.008 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.070 14.637 2.206 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -13.868 15.517 0.748 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -13.352 16.680 1.952 1.00 0.00 H new ATOM 876 N LEU A 60 -10.839 14.951 -0.893 1.00 0.00 N ATOM 877 CA LEU A 60 -10.212 14.254 -2.060 1.00 0.00 C ATOM 878 C LEU A 60 -11.182 13.451 -2.992 1.00 0.00 C ATOM 879 O LEU A 60 -10.826 13.198 -4.149 1.00 0.00 O ATOM 880 CB LEU A 60 -9.012 13.370 -1.606 1.00 0.00 C ATOM 881 CG LEU A 60 -7.832 14.117 -0.893 1.00 0.00 C ATOM 882 CD1 LEU A 60 -6.713 13.134 -0.478 1.00 0.00 C ATOM 883 CD2 LEU A 60 -7.276 15.266 -1.770 1.00 0.00 C ATOM 0 H LEU A 60 -10.784 15.966 -0.974 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.857 15.069 -2.691 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.389 12.602 -0.931 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.614 12.857 -2.482 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.231 14.565 0.017 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.910 13.683 0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.118 12.391 0.209 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.321 12.634 -1.364 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.460 15.762 -1.245 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.908 14.859 -2.712 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.069 15.986 -1.971 1.00 0.00 H new ATOM 895 N MET A 61 -12.379 13.043 -2.509 1.00 0.00 N ATOM 896 CA MET A 61 -13.370 12.306 -3.338 1.00 0.00 C ATOM 897 C MET A 61 -14.810 12.427 -2.776 1.00 0.00 C ATOM 898 O MET A 61 -15.730 12.742 -3.539 1.00 0.00 O ATOM 899 CB MET A 61 -12.954 10.809 -3.550 1.00 0.00 C ATOM 900 CG MET A 61 -12.929 9.923 -2.296 1.00 0.00 C ATOM 901 SD MET A 61 -12.296 8.265 -2.644 1.00 0.00 S ATOM 902 CE MET A 61 -12.504 7.436 -1.062 1.00 0.00 C ATOM 0 H MET A 61 -12.685 13.210 -1.550 1.00 0.00 H new ATOM 0 HA MET A 61 -13.374 12.782 -4.318 1.00 0.00 H new ATOM 0 HB2 MET A 61 -13.640 10.363 -4.270 1.00 0.00 H new ATOM 0 HB3 MET A 61 -11.962 10.791 -4.001 1.00 0.00 H new ATOM 0 HG2 MET A 61 -12.309 10.394 -1.533 1.00 0.00 H new ATOM 0 HG3 MET A 61 -13.936 9.847 -1.887 1.00 0.00 H new ATOM 0 HE1 MET A 61 -12.676 6.373 -1.228 1.00 0.00 H new ATOM 0 HE2 MET A 61 -11.605 7.569 -0.461 1.00 0.00 H new ATOM 0 HE3 MET A 61 -13.358 7.864 -0.537 1.00 0.00 H new ATOM 912 N THR A 62 -14.995 12.188 -1.445 1.00 0.00 N ATOM 913 CA THR A 62 -16.325 12.230 -0.761 1.00 0.00 C ATOM 914 C THR A 62 -17.303 11.106 -1.263 1.00 0.00 C ATOM 915 O THR A 62 -17.419 10.876 -2.470 1.00 0.00 O ATOM 916 CB THR A 62 -17.003 13.656 -0.887 1.00 0.00 C ATOM 917 OG1 THR A 62 -16.173 14.636 -0.229 1.00 0.00 O ATOM 918 CG2 THR A 62 -18.437 13.723 -0.298 1.00 0.00 C ATOM 0 H THR A 62 -14.226 11.960 -0.815 1.00 0.00 H new ATOM 0 HA THR A 62 -16.127 12.036 0.293 1.00 0.00 H new ATOM 0 HB THR A 62 -17.095 13.863 -1.953 1.00 0.00 H new ATOM 0 HG1 THR A 62 -16.588 15.521 -0.306 1.00 0.00 H new ATOM 0 HG21 THR A 62 -18.834 14.730 -0.422 1.00 0.00 H new ATOM 0 HG22 THR A 62 -19.078 13.013 -0.820 1.00 0.00 H new ATOM 0 HG23 THR A 62 -18.407 13.472 0.762 1.00 0.00 H new ATOM 926 N PRO A 63 -18.005 10.351 -0.337 1.00 0.00 N ATOM 927 CA PRO A 63 -19.100 9.405 -0.731 1.00 0.00 C ATOM 928 C PRO A 63 -20.251 10.141 -1.482 1.00 0.00 C ATOM 929 O PRO A 63 -21.039 10.876 -0.874 1.00 0.00 O ATOM 930 CB PRO A 63 -19.562 8.797 0.630 1.00 0.00 C ATOM 931 CG PRO A 63 -19.078 9.774 1.668 1.00 0.00 C ATOM 932 CD PRO A 63 -17.772 10.319 1.132 1.00 0.00 C ATOM 0 HA PRO A 63 -18.773 8.638 -1.433 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -20.646 8.685 0.666 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -19.134 7.807 0.787 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -19.803 10.573 1.823 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -18.933 9.284 2.631 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -17.555 11.311 1.529 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -16.929 9.679 1.394 1.00 0.00 H new ATOM 940 N ARG A 64 -20.308 9.959 -2.820 1.00 0.00 N ATOM 941 CA ARG A 64 -21.214 10.727 -3.709 1.00 0.00 C ATOM 942 C ARG A 64 -21.601 9.872 -4.957 1.00 0.00 C ATOM 943 O ARG A 64 -20.752 9.137 -5.477 1.00 0.00 O ATOM 944 CB ARG A 64 -20.497 12.064 -4.123 1.00 0.00 C ATOM 945 CG ARG A 64 -21.444 13.225 -4.496 1.00 0.00 C ATOM 946 CD ARG A 64 -20.717 14.564 -4.737 1.00 0.00 C ATOM 947 NE ARG A 64 -21.678 15.686 -4.833 1.00 0.00 N ATOM 948 CZ ARG A 64 -21.369 16.943 -5.067 1.00 0.00 C ATOM 949 NH1 ARG A 64 -20.153 17.303 -5.333 1.00 0.00 N ATOM 950 NH2 ARG A 64 -22.299 17.838 -5.065 1.00 0.00 N ATOM 0 H ARG A 64 -19.731 9.279 -3.314 1.00 0.00 H new ATOM 0 HA ARG A 64 -22.139 10.970 -3.186 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -19.859 12.386 -3.300 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -19.844 11.861 -4.972 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -21.998 12.956 -5.395 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -22.175 13.357 -3.698 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -20.016 14.751 -3.924 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -20.132 14.503 -5.655 1.00 0.00 H new ATOM 0 HE ARG A 64 -22.666 15.465 -4.707 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -19.410 16.605 -5.365 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -19.939 18.284 -5.511 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -23.266 17.569 -4.883 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -22.067 18.815 -5.246 1.00 0.00 H new ATOM 964 N PRO A 65 -22.887 9.940 -5.469 1.00 0.00 N ATOM 965 CA PRO A 65 -23.349 9.111 -6.640 1.00 0.00 C ATOM 966 C PRO A 65 -22.810 9.567 -8.031 1.00 0.00 C ATOM 967 O PRO A 65 -23.322 9.129 -9.073 1.00 0.00 O ATOM 968 CB PRO A 65 -24.892 9.261 -6.564 1.00 0.00 C ATOM 969 CG PRO A 65 -25.097 10.625 -5.976 1.00 0.00 C ATOM 970 CD PRO A 65 -24.003 10.781 -4.936 1.00 0.00 C ATOM 0 HA PRO A 65 -22.977 8.089 -6.568 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -25.350 9.179 -7.550 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -25.338 8.486 -5.940 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -25.025 11.398 -6.741 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -26.085 10.714 -5.524 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -23.702 11.823 -4.824 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -24.331 10.437 -3.955 1.00 0.00 H new ATOM 978 N GLU A 66 -21.782 10.434 -8.046 1.00 0.00 N ATOM 979 CA GLU A 66 -21.199 10.993 -9.288 1.00 0.00 C ATOM 980 C GLU A 66 -19.806 10.392 -9.595 1.00 0.00 C ATOM 981 O GLU A 66 -19.039 10.064 -8.684 1.00 0.00 O ATOM 982 CB GLU A 66 -21.114 12.536 -9.172 1.00 0.00 C ATOM 983 CG GLU A 66 -22.478 13.229 -8.961 1.00 0.00 C ATOM 984 CD GLU A 66 -22.373 14.760 -8.893 1.00 0.00 C ATOM 985 OE1 GLU A 66 -22.256 15.403 -9.958 1.00 0.00 O ATOM 986 OE2 GLU A 66 -22.407 15.327 -7.786 1.00 0.00 O ATOM 0 H GLU A 66 -21.328 10.770 -7.197 1.00 0.00 H new ATOM 0 HA GLU A 66 -21.852 10.725 -10.119 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -20.457 12.791 -8.341 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -20.653 12.933 -10.077 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -23.149 12.953 -9.775 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -22.927 12.860 -8.039 1.00 0.00 H new ATOM 993 N PHE A 67 -19.480 10.301 -10.898 1.00 0.00 N ATOM 994 CA PHE A 67 -18.214 9.720 -11.409 1.00 0.00 C ATOM 995 C PHE A 67 -17.110 10.818 -11.562 1.00 0.00 C ATOM 996 O PHE A 67 -16.108 10.625 -12.251 1.00 0.00 O ATOM 997 CB PHE A 67 -18.531 9.010 -12.767 1.00 0.00 C ATOM 998 CG PHE A 67 -17.407 8.124 -13.326 1.00 0.00 C ATOM 999 CD1 PHE A 67 -17.087 6.911 -12.711 1.00 0.00 C ATOM 1000 CD2 PHE A 67 -16.670 8.500 -14.458 1.00 0.00 C ATOM 1001 CE1 PHE A 67 -16.069 6.111 -13.200 1.00 0.00 C ATOM 1002 CE2 PHE A 67 -15.653 7.697 -14.941 1.00 0.00 C ATOM 1003 CZ PHE A 67 -15.356 6.501 -14.316 1.00 0.00 C ATOM 0 H PHE A 67 -20.095 10.633 -11.641 1.00 0.00 H new ATOM 0 HA PHE A 67 -17.816 8.992 -10.702 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -19.423 8.397 -12.637 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -18.772 9.772 -13.508 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -17.642 6.593 -11.841 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -16.900 9.429 -14.959 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -15.832 5.180 -12.707 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -15.089 8.006 -15.809 1.00 0.00 H new ATOM 0 HZ PHE A 67 -14.567 5.872 -14.700 1.00 0.00 H new ATOM 1013 N ASN A 68 -17.276 11.957 -10.847 1.00 0.00 N ATOM 1014 CA ASN A 68 -16.368 13.134 -10.947 1.00 0.00 C ATOM 1015 C ASN A 68 -14.924 12.829 -10.448 1.00 0.00 C ATOM 1016 O ASN A 68 -13.984 13.559 -10.775 1.00 0.00 O ATOM 1017 CB ASN A 68 -16.960 14.326 -10.144 1.00 0.00 C ATOM 1018 CG ASN A 68 -18.367 14.738 -10.598 1.00 0.00 C ATOM 1019 OD1 ASN A 68 -18.742 14.558 -11.749 1.00 0.00 O ATOM 1020 ND2 ASN A 68 -19.152 15.299 -9.697 1.00 0.00 N ATOM 0 H ASN A 68 -18.041 12.089 -10.185 1.00 0.00 H new ATOM 0 HA ASN A 68 -16.294 13.390 -12.004 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -16.992 14.060 -9.087 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -16.292 15.183 -10.237 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -20.094 15.593 -9.954 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -18.816 15.438 -8.744 1.00 0.00 H new ATOM 1027 N PHE A 69 -14.766 11.745 -9.652 1.00 0.00 N ATOM 1028 CA PHE A 69 -13.465 11.338 -9.056 1.00 0.00 C ATOM 1029 C PHE A 69 -13.094 9.885 -9.461 1.00 0.00 C ATOM 1030 O PHE A 69 -13.557 8.924 -8.833 1.00 0.00 O ATOM 1031 CB PHE A 69 -13.518 11.453 -7.509 1.00 0.00 C ATOM 1032 CG PHE A 69 -13.889 12.845 -7.004 1.00 0.00 C ATOM 1033 CD1 PHE A 69 -12.913 13.821 -6.802 1.00 0.00 C ATOM 1034 CD2 PHE A 69 -15.219 13.177 -6.730 1.00 0.00 C ATOM 1035 CE1 PHE A 69 -13.253 15.078 -6.341 1.00 0.00 C ATOM 1036 CE2 PHE A 69 -15.555 14.432 -6.271 1.00 0.00 C ATOM 1037 CZ PHE A 69 -14.573 15.380 -6.075 1.00 0.00 C ATOM 0 H PHE A 69 -15.537 11.125 -9.403 1.00 0.00 H new ATOM 0 HA PHE A 69 -12.698 12.011 -9.440 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -14.242 10.734 -7.126 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -12.546 11.176 -7.100 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -11.878 13.591 -7.009 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -15.994 12.440 -6.880 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -12.487 15.824 -6.189 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -16.587 14.673 -6.065 1.00 0.00 H new ATOM 0 HZ PHE A 69 -14.838 16.362 -5.712 1.00 0.00 H new ATOM 1047 N PRO A 70 -12.288 9.698 -10.552 1.00 0.00 N ATOM 1048 CA PRO A 70 -11.695 8.386 -10.908 1.00 0.00 C ATOM 1049 C PRO A 70 -10.257 8.199 -10.332 1.00 0.00 C ATOM 1050 O PRO A 70 -9.456 7.425 -10.868 1.00 0.00 O ATOM 1051 CB PRO A 70 -11.700 8.467 -12.450 1.00 0.00 C ATOM 1052 CG PRO A 70 -11.404 9.918 -12.753 1.00 0.00 C ATOM 1053 CD PRO A 70 -11.933 10.730 -11.569 1.00 0.00 C ATOM 0 HA PRO A 70 -12.237 7.532 -10.501 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -10.947 7.809 -12.885 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -12.663 8.164 -12.860 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -10.333 10.076 -12.883 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -11.887 10.226 -13.680 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -11.179 11.421 -11.190 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -12.800 11.327 -11.851 1.00 0.00 H new ATOM 1061 N GLY A 71 -9.961 8.888 -9.207 1.00 0.00 N ATOM 1062 CA GLY A 71 -8.610 8.907 -8.612 1.00 0.00 C ATOM 1063 C GLY A 71 -8.342 7.761 -7.629 1.00 0.00 C ATOM 1064 O GLY A 71 -8.132 8.006 -6.433 1.00 0.00 O ATOM 0 H GLY A 71 -10.646 9.441 -8.692 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.872 8.865 -9.413 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.466 9.856 -8.095 1.00 0.00 H new ATOM 1068 N LEU A 72 -8.344 6.513 -8.160 1.00 0.00 N ATOM 1069 CA LEU A 72 -8.032 5.269 -7.404 1.00 0.00 C ATOM 1070 C LEU A 72 -8.978 5.032 -6.191 1.00 0.00 C ATOM 1071 O LEU A 72 -8.806 5.627 -5.121 1.00 0.00 O ATOM 1072 CB LEU A 72 -6.526 5.213 -6.962 1.00 0.00 C ATOM 1073 CG LEU A 72 -5.464 4.930 -8.084 1.00 0.00 C ATOM 1074 CD1 LEU A 72 -5.775 3.616 -8.827 1.00 0.00 C ATOM 1075 CD2 LEU A 72 -5.308 6.118 -9.065 1.00 0.00 C ATOM 0 H LEU A 72 -8.565 6.337 -9.140 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.211 4.451 -8.102 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.276 6.163 -6.491 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.426 4.442 -6.198 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.501 4.813 -7.587 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.023 3.447 -9.598 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.763 2.787 -8.120 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.760 3.684 -9.290 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.562 5.871 -9.820 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.264 6.317 -9.550 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.988 7.004 -8.516 1.00 0.00 H new ATOM 1087 N LYS A 73 -9.978 4.158 -6.377 1.00 0.00 N ATOM 1088 CA LYS A 73 -10.891 3.724 -5.291 1.00 0.00 C ATOM 1089 C LYS A 73 -10.399 2.378 -4.695 1.00 0.00 C ATOM 1090 O LYS A 73 -9.465 1.754 -5.221 1.00 0.00 O ATOM 1091 CB LYS A 73 -12.346 3.600 -5.829 1.00 0.00 C ATOM 1092 CG LYS A 73 -12.558 2.432 -6.816 1.00 0.00 C ATOM 1093 CD LYS A 73 -13.870 2.537 -7.618 1.00 0.00 C ATOM 1094 CE LYS A 73 -14.023 1.384 -8.629 1.00 0.00 C ATOM 1095 NZ LYS A 73 -15.129 1.628 -9.587 1.00 0.00 N ATOM 0 H LYS A 73 -10.182 3.729 -7.279 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.888 4.472 -4.498 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -13.024 3.475 -4.985 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.620 4.532 -6.323 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.719 2.396 -7.510 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -12.554 1.493 -6.262 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -14.716 2.531 -6.931 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.896 3.489 -8.148 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.090 1.257 -9.178 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -14.207 0.453 -8.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -15.197 0.829 -10.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.024 1.724 -9.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.942 2.502 -10.118 1.00 0.00 H new ATOM 1109 N ALA A 74 -11.010 1.960 -3.572 1.00 0.00 N ATOM 1110 CA ALA A 74 -10.703 0.668 -2.921 1.00 0.00 C ATOM 1111 C ALA A 74 -11.044 -0.513 -3.852 1.00 0.00 C ATOM 1112 O ALA A 74 -12.218 -0.740 -4.176 1.00 0.00 O ATOM 1113 CB ALA A 74 -11.467 0.552 -1.600 1.00 0.00 C ATOM 0 H ALA A 74 -11.727 2.503 -3.090 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.634 0.631 -2.713 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.235 -0.403 -1.128 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.173 1.366 -0.937 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -12.538 0.610 -1.793 1.00 0.00 H new ATOM 1119 N GLY A 75 -10.006 -1.242 -4.288 1.00 0.00 N ATOM 1120 CA GLY A 75 -10.159 -2.345 -5.257 1.00 0.00 C ATOM 1121 C GLY A 75 -9.433 -2.101 -6.589 1.00 0.00 C ATOM 1122 O GLY A 75 -9.303 -3.026 -7.404 1.00 0.00 O ATOM 0 H GLY A 75 -9.044 -1.088 -3.984 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.781 -3.265 -4.810 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.220 -2.499 -5.454 1.00 0.00 H new ATOM 1126 N ASP A 76 -8.956 -0.862 -6.813 1.00 0.00 N ATOM 1127 CA ASP A 76 -8.150 -0.517 -8.006 1.00 0.00 C ATOM 1128 C ASP A 76 -6.656 -0.839 -7.765 1.00 0.00 C ATOM 1129 O ASP A 76 -5.929 -0.062 -7.129 1.00 0.00 O ATOM 1130 CB ASP A 76 -8.326 0.982 -8.386 1.00 0.00 C ATOM 1131 CG ASP A 76 -9.714 1.362 -8.922 1.00 0.00 C ATOM 1132 OD1 ASP A 76 -10.529 0.470 -9.254 1.00 0.00 O ATOM 1133 OD2 ASP A 76 -9.988 2.574 -9.045 1.00 0.00 O ATOM 0 H ASP A 76 -9.115 -0.077 -6.181 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.508 -1.123 -8.839 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -8.115 1.590 -7.507 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.581 1.239 -9.138 1.00 0.00 H new ATOM 1138 N ARG A 77 -6.219 -2.011 -8.245 1.00 0.00 N ATOM 1139 CA ARG A 77 -4.813 -2.436 -8.157 1.00 0.00 C ATOM 1140 C ARG A 77 -4.096 -2.104 -9.484 1.00 0.00 C ATOM 1141 O ARG A 77 -3.928 -2.965 -10.349 1.00 0.00 O ATOM 1142 CB ARG A 77 -4.784 -3.957 -7.854 1.00 0.00 C ATOM 1143 CG ARG A 77 -3.391 -4.590 -7.680 1.00 0.00 C ATOM 1144 CD ARG A 77 -3.480 -6.082 -7.330 1.00 0.00 C ATOM 1145 NE ARG A 77 -4.140 -6.873 -8.386 1.00 0.00 N ATOM 1146 CZ ARG A 77 -5.088 -7.766 -8.204 1.00 0.00 C ATOM 1147 NH1 ARG A 77 -5.653 -7.938 -7.044 1.00 0.00 N ATOM 1148 NH2 ARG A 77 -5.509 -8.458 -9.206 1.00 0.00 N ATOM 0 H ARG A 77 -6.827 -2.690 -8.704 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.291 -1.910 -7.358 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -5.357 -4.136 -6.944 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.298 -4.477 -8.662 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -2.819 -4.466 -8.599 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -2.849 -4.064 -6.894 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -2.476 -6.473 -7.162 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.029 -6.200 -6.396 1.00 0.00 H new ATOM 0 HE ARG A 77 -3.833 -6.713 -9.345 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -5.363 -7.372 -6.246 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -6.386 -8.638 -6.933 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -5.107 -8.311 -10.132 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -6.244 -9.153 -9.073 1.00 0.00 H new ATOM 1162 N TRP A 78 -3.637 -0.843 -9.579 1.00 0.00 N ATOM 1163 CA TRP A 78 -3.014 -0.227 -10.789 1.00 0.00 C ATOM 1164 C TRP A 78 -2.523 1.187 -10.408 1.00 0.00 C ATOM 1165 O TRP A 78 -3.331 2.006 -9.979 1.00 0.00 O ATOM 1166 CB TRP A 78 -4.013 -0.087 -12.004 1.00 0.00 C ATOM 1167 CG TRP A 78 -4.242 -1.341 -12.833 1.00 0.00 C ATOM 1168 CD1 TRP A 78 -3.337 -1.958 -13.658 1.00 0.00 C ATOM 1169 CD2 TRP A 78 -5.454 -2.120 -12.923 1.00 0.00 C ATOM 1170 NE1 TRP A 78 -3.903 -3.066 -14.240 1.00 0.00 N ATOM 1171 CE2 TRP A 78 -5.199 -3.188 -13.803 1.00 0.00 C ATOM 1172 CE3 TRP A 78 -6.719 -2.023 -12.329 1.00 0.00 C ATOM 1173 CZ2 TRP A 78 -6.163 -4.145 -14.119 1.00 0.00 C ATOM 1174 CZ3 TRP A 78 -7.676 -2.976 -12.639 1.00 0.00 C ATOM 1175 CH2 TRP A 78 -7.395 -4.025 -13.525 1.00 0.00 C ATOM 0 H TRP A 78 -3.686 -0.193 -8.794 1.00 0.00 H new ATOM 0 HA TRP A 78 -2.203 -0.883 -11.107 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -4.976 0.250 -11.619 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -3.642 0.697 -12.664 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -2.325 -1.621 -13.826 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -3.436 -3.696 -14.892 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -6.944 -1.220 -11.642 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -5.948 -4.951 -14.806 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -8.656 -2.909 -12.190 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -8.162 -4.753 -13.745 1.00 0.00 H new ATOM 1186 N CYS A 79 -1.208 1.455 -10.551 1.00 0.00 N ATOM 1187 CA CYS A 79 -0.617 2.818 -10.364 1.00 0.00 C ATOM 1188 C CYS A 79 -0.860 3.394 -8.934 1.00 0.00 C ATOM 1189 O CYS A 79 -0.884 4.619 -8.742 1.00 0.00 O ATOM 1190 CB CYS A 79 -1.155 3.780 -11.454 1.00 0.00 C ATOM 1191 SG CYS A 79 -0.973 3.138 -13.130 1.00 0.00 S ATOM 0 H CYS A 79 -0.520 0.744 -10.798 1.00 0.00 H new ATOM 0 HA CYS A 79 0.464 2.722 -10.470 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.209 3.981 -11.262 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -0.630 4.732 -11.379 1.00 0.00 H new ATOM 0 HG CYS A 79 -1.447 4.001 -13.979 1.00 0.00 H new ATOM 1197 N LEU A 80 -0.995 2.489 -7.943 1.00 0.00 N ATOM 1198 CA LEU A 80 -1.285 2.845 -6.537 1.00 0.00 C ATOM 1199 C LEU A 80 -0.077 3.589 -5.902 1.00 0.00 C ATOM 1200 O LEU A 80 1.075 3.189 -6.084 1.00 0.00 O ATOM 1201 CB LEU A 80 -1.666 1.544 -5.737 1.00 0.00 C ATOM 1202 CG LEU A 80 -2.124 1.674 -4.226 1.00 0.00 C ATOM 1203 CD1 LEU A 80 -0.937 1.741 -3.231 1.00 0.00 C ATOM 1204 CD2 LEU A 80 -3.104 2.858 -4.033 1.00 0.00 C ATOM 0 H LEU A 80 -0.906 1.484 -8.096 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.134 3.528 -6.498 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.469 1.047 -6.282 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.803 0.878 -5.763 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.659 0.754 -3.989 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.319 1.829 -2.214 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.339 0.834 -3.316 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.317 2.607 -3.462 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.399 2.919 -2.985 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.615 3.787 -4.327 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.989 2.702 -4.650 1.00 0.00 H new ATOM 1216 N CYS A 81 -0.372 4.681 -5.164 1.00 0.00 N ATOM 1217 CA CYS A 81 0.641 5.501 -4.465 1.00 0.00 C ATOM 1218 C CYS A 81 1.316 4.697 -3.315 1.00 0.00 C ATOM 1219 O CYS A 81 0.776 4.613 -2.201 1.00 0.00 O ATOM 1220 CB CYS A 81 -0.031 6.782 -3.916 1.00 0.00 C ATOM 1221 SG CYS A 81 -0.974 7.714 -5.144 1.00 0.00 S ATOM 0 H CYS A 81 -1.325 5.020 -5.036 1.00 0.00 H new ATOM 0 HA CYS A 81 1.423 5.778 -5.172 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -0.696 6.507 -3.097 1.00 0.00 H new ATOM 0 HB3 CYS A 81 0.738 7.431 -3.497 1.00 0.00 H new ATOM 0 HG CYS A 81 -1.497 8.764 -4.584 1.00 0.00 H new ATOM 1227 N ALA A 82 2.487 4.084 -3.614 1.00 0.00 N ATOM 1228 CA ALA A 82 3.237 3.219 -2.662 1.00 0.00 C ATOM 1229 C ALA A 82 3.668 3.962 -1.374 1.00 0.00 C ATOM 1230 O ALA A 82 3.792 3.343 -0.322 1.00 0.00 O ATOM 1231 CB ALA A 82 4.469 2.603 -3.342 1.00 0.00 C ATOM 0 H ALA A 82 2.941 4.174 -4.523 1.00 0.00 H new ATOM 0 HA ALA A 82 2.547 2.430 -2.363 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.002 1.975 -2.629 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.151 1.998 -4.191 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.129 3.398 -3.689 1.00 0.00 H new ATOM 1237 N SER A 83 3.896 5.284 -1.481 1.00 0.00 N ATOM 1238 CA SER A 83 4.216 6.161 -0.320 1.00 0.00 C ATOM 1239 C SER A 83 3.124 6.094 0.785 1.00 0.00 C ATOM 1240 O SER A 83 3.425 6.176 1.977 1.00 0.00 O ATOM 1241 CB SER A 83 4.383 7.624 -0.794 1.00 0.00 C ATOM 1242 OG SER A 83 5.434 7.748 -1.744 1.00 0.00 O ATOM 0 H SER A 83 3.866 5.782 -2.371 1.00 0.00 H new ATOM 0 HA SER A 83 5.149 5.799 0.112 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.449 7.973 -1.235 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.589 8.264 0.064 1.00 0.00 H new ATOM 0 HG SER A 83 5.513 8.684 -2.025 1.00 0.00 H new ATOM 1248 N ARG A 84 1.858 5.950 0.352 1.00 0.00 N ATOM 1249 CA ARG A 84 0.678 5.857 1.246 1.00 0.00 C ATOM 1250 C ARG A 84 0.611 4.477 1.958 1.00 0.00 C ATOM 1251 O ARG A 84 0.295 4.403 3.147 1.00 0.00 O ATOM 1252 CB ARG A 84 -0.630 6.126 0.430 1.00 0.00 C ATOM 1253 CG ARG A 84 -0.995 7.616 0.190 1.00 0.00 C ATOM 1254 CD ARG A 84 0.112 8.427 -0.514 1.00 0.00 C ATOM 1255 NE ARG A 84 -0.362 9.754 -0.940 1.00 0.00 N ATOM 1256 CZ ARG A 84 0.086 10.910 -0.507 1.00 0.00 C ATOM 1257 NH1 ARG A 84 1.006 10.998 0.405 1.00 0.00 N ATOM 1258 NH2 ARG A 84 -0.409 11.996 -0.992 1.00 0.00 N ATOM 0 H ARG A 84 1.618 5.894 -0.638 1.00 0.00 H new ATOM 0 HA ARG A 84 0.775 6.617 2.021 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.536 5.636 -0.539 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.462 5.649 0.949 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.904 7.665 -0.409 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.220 8.083 1.149 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.960 8.544 0.161 1.00 0.00 H new ATOM 0 HD3 ARG A 84 0.470 7.874 -1.382 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.107 9.778 -1.636 1.00 0.00 H new ATOM 0 HH11 ARG A 84 1.405 10.151 0.810 1.00 0.00 H new ATOM 0 HH12 ARG A 84 1.329 11.914 0.717 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -1.139 11.951 -1.703 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -0.071 12.901 -0.665 1.00 0.00 H new ATOM 1272 N TRP A 85 0.903 3.390 1.220 1.00 0.00 N ATOM 1273 CA TRP A 85 0.947 2.019 1.789 1.00 0.00 C ATOM 1274 C TRP A 85 2.129 1.889 2.805 1.00 0.00 C ATOM 1275 O TRP A 85 1.943 1.413 3.932 1.00 0.00 O ATOM 1276 CB TRP A 85 1.020 0.981 0.635 1.00 0.00 C ATOM 1277 CG TRP A 85 1.244 -0.463 1.056 1.00 0.00 C ATOM 1278 CD1 TRP A 85 1.983 -1.381 0.375 1.00 0.00 C ATOM 1279 CD2 TRP A 85 0.747 -1.165 2.230 1.00 0.00 C ATOM 1280 NE1 TRP A 85 2.000 -2.572 1.051 1.00 0.00 N ATOM 1281 CE2 TRP A 85 1.271 -2.458 2.187 1.00 0.00 C ATOM 1282 CE3 TRP A 85 -0.061 -0.827 3.316 1.00 0.00 C ATOM 1283 CZ2 TRP A 85 1.019 -3.404 3.169 1.00 0.00 C ATOM 1284 CZ3 TRP A 85 -0.307 -1.766 4.281 1.00 0.00 C ATOM 1285 CH2 TRP A 85 0.239 -3.042 4.206 1.00 0.00 C ATOM 0 H TRP A 85 1.114 3.430 0.223 1.00 0.00 H new ATOM 0 HA TRP A 85 0.035 1.816 2.351 1.00 0.00 H new ATOM 0 HB2 TRP A 85 0.092 1.034 0.065 1.00 0.00 H new ATOM 0 HB3 TRP A 85 1.825 1.272 -0.040 1.00 0.00 H new ATOM 0 HD1 TRP A 85 2.484 -1.197 -0.564 1.00 0.00 H new ATOM 0 HE1 TRP A 85 2.487 -3.415 0.746 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -0.487 0.162 3.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 1.435 -4.399 3.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -0.939 -1.510 5.119 1.00 0.00 H new ATOM 0 HH2 TRP A 85 0.035 -3.755 4.991 1.00 0.00 H new ATOM 1296 N GLN A 86 3.323 2.340 2.385 1.00 0.00 N ATOM 1297 CA GLN A 86 4.505 2.518 3.271 1.00 0.00 C ATOM 1298 C GLN A 86 4.147 3.316 4.567 1.00 0.00 C ATOM 1299 O GLN A 86 4.548 2.934 5.674 1.00 0.00 O ATOM 1300 CB GLN A 86 5.619 3.229 2.451 1.00 0.00 C ATOM 1301 CG GLN A 86 6.965 3.509 3.163 1.00 0.00 C ATOM 1302 CD GLN A 86 7.551 2.332 3.950 1.00 0.00 C ATOM 1303 OE1 GLN A 86 8.313 1.533 3.435 1.00 0.00 O ATOM 1304 NE2 GLN A 86 7.231 2.238 5.215 1.00 0.00 N ATOM 0 H GLN A 86 3.505 2.596 1.415 1.00 0.00 H new ATOM 0 HA GLN A 86 4.858 1.544 3.609 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.825 2.623 1.569 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.221 4.181 2.098 1.00 0.00 H new ATOM 0 HG2 GLN A 86 7.694 3.822 2.415 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.828 4.348 3.845 1.00 0.00 H new ATOM 0 HE21 GLN A 86 6.592 2.915 5.631 1.00 0.00 H new ATOM 0 HE22 GLN A 86 7.621 1.488 5.785 1.00 0.00 H new ATOM 1313 N GLU A 87 3.357 4.401 4.408 1.00 0.00 N ATOM 1314 CA GLU A 87 2.847 5.205 5.551 1.00 0.00 C ATOM 1315 C GLU A 87 2.000 4.348 6.523 1.00 0.00 C ATOM 1316 O GLU A 87 2.235 4.389 7.726 1.00 0.00 O ATOM 1317 CB GLU A 87 2.015 6.427 5.048 1.00 0.00 C ATOM 1318 CG GLU A 87 1.315 7.276 6.150 1.00 0.00 C ATOM 1319 CD GLU A 87 2.286 7.999 7.107 1.00 0.00 C ATOM 1320 OE1 GLU A 87 2.699 7.411 8.135 1.00 0.00 O ATOM 1321 OE2 GLU A 87 2.639 9.168 6.840 1.00 0.00 O ATOM 0 H GLU A 87 3.055 4.745 3.496 1.00 0.00 H new ATOM 0 HA GLU A 87 3.716 5.572 6.097 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.675 7.081 4.478 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.253 6.064 4.358 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.677 8.018 5.670 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.664 6.626 6.735 1.00 0.00 H new ATOM 1328 N ALA A 88 1.058 3.546 5.980 1.00 0.00 N ATOM 1329 CA ALA A 88 0.080 2.765 6.789 1.00 0.00 C ATOM 1330 C ALA A 88 0.756 1.810 7.804 1.00 0.00 C ATOM 1331 O ALA A 88 0.285 1.675 8.939 1.00 0.00 O ATOM 1332 CB ALA A 88 -0.861 1.977 5.868 1.00 0.00 C ATOM 0 H ALA A 88 0.949 3.418 4.974 1.00 0.00 H new ATOM 0 HA ALA A 88 -0.492 3.488 7.371 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.571 1.411 6.471 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -1.404 2.669 5.224 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -0.278 1.291 5.254 1.00 0.00 H new ATOM 1338 N PHE A 89 1.865 1.165 7.395 1.00 0.00 N ATOM 1339 CA PHE A 89 2.602 0.223 8.269 1.00 0.00 C ATOM 1340 C PHE A 89 3.365 0.968 9.389 1.00 0.00 C ATOM 1341 O PHE A 89 3.309 0.573 10.560 1.00 0.00 O ATOM 1342 CB PHE A 89 3.548 -0.665 7.428 1.00 0.00 C ATOM 1343 CG PHE A 89 4.246 -1.766 8.234 1.00 0.00 C ATOM 1344 CD1 PHE A 89 3.501 -2.768 8.854 1.00 0.00 C ATOM 1345 CD2 PHE A 89 5.635 -1.794 8.389 1.00 0.00 C ATOM 1346 CE1 PHE A 89 4.115 -3.760 9.592 1.00 0.00 C ATOM 1347 CE2 PHE A 89 6.246 -2.789 9.128 1.00 0.00 C ATOM 1348 CZ PHE A 89 5.487 -3.769 9.730 1.00 0.00 C ATOM 0 H PHE A 89 2.272 1.277 6.467 1.00 0.00 H new ATOM 0 HA PHE A 89 1.876 -0.426 8.758 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.977 -1.125 6.622 1.00 0.00 H new ATOM 0 HB3 PHE A 89 4.305 -0.034 6.963 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.426 -2.768 8.755 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.239 -1.028 7.925 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.520 -4.530 10.062 1.00 0.00 H new ATOM 0 HE2 PHE A 89 7.321 -2.799 9.234 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.967 -4.544 10.310 1.00 0.00 H new ATOM 1358 N GLU A 90 4.050 2.059 9.016 1.00 0.00 N ATOM 1359 CA GLU A 90 4.816 2.903 9.966 1.00 0.00 C ATOM 1360 C GLU A 90 3.886 3.735 10.893 1.00 0.00 C ATOM 1361 O GLU A 90 4.301 4.173 11.970 1.00 0.00 O ATOM 1362 CB GLU A 90 5.776 3.833 9.180 1.00 0.00 C ATOM 1363 CG GLU A 90 6.807 3.096 8.292 1.00 0.00 C ATOM 1364 CD GLU A 90 7.780 2.195 9.081 1.00 0.00 C ATOM 1365 OE1 GLU A 90 8.703 2.737 9.730 1.00 0.00 O ATOM 1366 OE2 GLU A 90 7.630 0.955 9.061 1.00 0.00 O ATOM 0 H GLU A 90 4.093 2.387 8.051 1.00 0.00 H new ATOM 0 HA GLU A 90 5.395 2.241 10.610 1.00 0.00 H new ATOM 0 HB2 GLU A 90 5.183 4.496 8.550 1.00 0.00 H new ATOM 0 HB3 GLU A 90 6.312 4.463 9.890 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.274 2.487 7.562 1.00 0.00 H new ATOM 0 HG3 GLU A 90 7.383 3.833 7.732 1.00 0.00 H new ATOM 1373 N ALA A 91 2.630 3.945 10.456 1.00 0.00 N ATOM 1374 CA ALA A 91 1.577 4.627 11.250 1.00 0.00 C ATOM 1375 C ALA A 91 0.870 3.639 12.208 1.00 0.00 C ATOM 1376 O ALA A 91 0.320 4.049 13.237 1.00 0.00 O ATOM 1377 CB ALA A 91 0.551 5.299 10.315 1.00 0.00 C ATOM 0 H ALA A 91 2.310 3.646 9.535 1.00 0.00 H new ATOM 0 HA ALA A 91 2.057 5.396 11.856 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -0.215 5.795 10.912 1.00 0.00 H new ATOM 0 HB2 ALA A 91 1.056 6.035 9.689 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.085 4.543 9.683 1.00 0.00 H new ATOM 1383 N GLY A 92 0.899 2.337 11.856 1.00 0.00 N ATOM 1384 CA GLY A 92 0.295 1.274 12.677 1.00 0.00 C ATOM 1385 C GLY A 92 -1.209 1.098 12.438 1.00 0.00 C ATOM 1386 O GLY A 92 -1.984 0.925 13.383 1.00 0.00 O ATOM 0 H GLY A 92 1.339 1.997 11.001 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.801 0.332 12.467 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.464 1.499 13.730 1.00 0.00 H new ATOM 1390 N MET A 93 -1.609 1.145 11.160 1.00 0.00 N ATOM 1391 CA MET A 93 -3.018 0.956 10.721 1.00 0.00 C ATOM 1392 C MET A 93 -3.093 0.157 9.395 1.00 0.00 C ATOM 1393 O MET A 93 -4.158 0.065 8.773 1.00 0.00 O ATOM 1394 CB MET A 93 -3.708 2.348 10.603 1.00 0.00 C ATOM 1395 CG MET A 93 -3.094 3.322 9.569 1.00 0.00 C ATOM 1396 SD MET A 93 -3.545 2.936 7.863 1.00 0.00 S ATOM 1397 CE MET A 93 -5.338 3.080 7.910 1.00 0.00 C ATOM 0 H MET A 93 -0.966 1.316 10.387 1.00 0.00 H new ATOM 0 HA MET A 93 -3.551 0.365 11.466 1.00 0.00 H new ATOM 0 HB2 MET A 93 -4.756 2.192 10.348 1.00 0.00 H new ATOM 0 HB3 MET A 93 -3.686 2.827 11.582 1.00 0.00 H new ATOM 0 HG2 MET A 93 -3.416 4.337 9.801 1.00 0.00 H new ATOM 0 HG3 MET A 93 -2.008 3.303 9.663 1.00 0.00 H new ATOM 0 HE1 MET A 93 -5.787 2.117 7.667 1.00 0.00 H new ATOM 0 HE2 MET A 93 -5.652 3.386 8.908 1.00 0.00 H new ATOM 0 HE3 MET A 93 -5.662 3.825 7.183 1.00 0.00 H new ATOM 1407 N ALA A 94 -1.950 -0.443 9.017 1.00 0.00 N ATOM 1408 CA ALA A 94 -1.751 -1.188 7.755 1.00 0.00 C ATOM 1409 C ALA A 94 -2.834 -2.277 7.448 1.00 0.00 C ATOM 1410 O ALA A 94 -2.952 -3.263 8.182 1.00 0.00 O ATOM 1411 CB ALA A 94 -0.360 -1.823 7.776 1.00 0.00 C ATOM 0 H ALA A 94 -1.112 -0.424 9.598 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.851 -0.460 6.950 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.199 -2.376 6.851 1.00 0.00 H new ATOM 0 HB2 ALA A 94 0.395 -1.042 7.868 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.284 -2.504 8.624 1.00 0.00 H new ATOM 1417 N PRO A 95 -3.652 -2.082 6.356 1.00 0.00 N ATOM 1418 CA PRO A 95 -4.584 -3.122 5.811 1.00 0.00 C ATOM 1419 C PRO A 95 -3.834 -4.249 5.016 1.00 0.00 C ATOM 1420 O PRO A 95 -2.608 -4.184 4.880 1.00 0.00 O ATOM 1421 CB PRO A 95 -5.527 -2.284 4.876 1.00 0.00 C ATOM 1422 CG PRO A 95 -5.227 -0.852 5.189 1.00 0.00 C ATOM 1423 CD PRO A 95 -3.777 -0.825 5.585 1.00 0.00 C ATOM 0 HA PRO A 95 -5.114 -3.663 6.595 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -5.336 -2.505 3.826 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -6.575 -2.516 5.065 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -5.410 -0.214 4.324 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -5.861 -0.485 5.996 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -3.116 -0.809 4.718 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -3.534 0.050 6.187 1.00 0.00 H new ATOM 1431 N PRO A 96 -4.540 -5.321 4.498 1.00 0.00 N ATOM 1432 CA PRO A 96 -3.893 -6.360 3.636 1.00 0.00 C ATOM 1433 C PRO A 96 -3.502 -5.843 2.216 1.00 0.00 C ATOM 1434 O PRO A 96 -4.116 -4.913 1.676 1.00 0.00 O ATOM 1435 CB PRO A 96 -4.971 -7.474 3.559 1.00 0.00 C ATOM 1436 CG PRO A 96 -6.272 -6.742 3.735 1.00 0.00 C ATOM 1437 CD PRO A 96 -5.983 -5.644 4.739 1.00 0.00 C ATOM 0 HA PRO A 96 -2.942 -6.694 4.052 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.935 -7.998 2.604 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -4.827 -8.222 4.338 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -6.621 -6.328 2.789 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -7.053 -7.410 4.098 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.621 -4.775 4.578 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -6.154 -5.980 5.762 1.00 0.00 H new ATOM 1445 N VAL A 97 -2.464 -6.471 1.631 1.00 0.00 N ATOM 1446 CA VAL A 97 -1.968 -6.172 0.263 1.00 0.00 C ATOM 1447 C VAL A 97 -1.638 -7.503 -0.471 1.00 0.00 C ATOM 1448 O VAL A 97 -1.621 -8.567 0.141 1.00 0.00 O ATOM 1449 CB VAL A 97 -0.687 -5.232 0.326 1.00 0.00 C ATOM 1450 CG1 VAL A 97 0.491 -5.941 1.034 1.00 0.00 C ATOM 1451 CG2 VAL A 97 -0.241 -4.701 -1.071 1.00 0.00 C ATOM 0 H VAL A 97 -1.936 -7.210 2.096 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.744 -5.644 -0.291 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.984 -4.362 0.912 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.353 -5.274 1.062 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.200 -6.201 2.052 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.751 -6.848 0.488 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.638 -4.067 -0.955 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.002 -5.543 -1.720 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.051 -4.122 -1.516 1.00 0.00 H new ATOM 1461 N VAL A 98 -1.421 -7.440 -1.790 1.00 0.00 N ATOM 1462 CA VAL A 98 -0.885 -8.574 -2.578 1.00 0.00 C ATOM 1463 C VAL A 98 0.671 -8.527 -2.648 1.00 0.00 C ATOM 1464 O VAL A 98 1.262 -7.459 -2.825 1.00 0.00 O ATOM 1465 CB VAL A 98 -1.480 -8.577 -4.043 1.00 0.00 C ATOM 1466 CG1 VAL A 98 -2.988 -8.929 -4.049 1.00 0.00 C ATOM 1467 CG2 VAL A 98 -1.243 -7.216 -4.744 1.00 0.00 C ATOM 0 H VAL A 98 -1.609 -6.607 -2.347 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.186 -9.491 -2.071 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.953 -9.351 -4.600 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.360 -8.921 -5.074 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.132 -9.920 -3.619 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.535 -8.194 -3.459 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.662 -7.247 -5.750 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.727 -6.424 -4.173 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.173 -7.019 -4.803 1.00 0.00 H new ATOM 1477 N LEU A 99 1.324 -9.683 -2.454 1.00 0.00 N ATOM 1478 CA LEU A 99 2.742 -9.898 -2.862 1.00 0.00 C ATOM 1479 C LEU A 99 2.786 -10.466 -4.302 1.00 0.00 C ATOM 1480 O LEU A 99 3.654 -10.121 -5.106 1.00 0.00 O ATOM 1481 CB LEU A 99 3.463 -10.897 -1.898 1.00 0.00 C ATOM 1482 CG LEU A 99 4.182 -10.286 -0.661 1.00 0.00 C ATOM 1483 CD1 LEU A 99 4.717 -11.403 0.253 1.00 0.00 C ATOM 1484 CD2 LEU A 99 5.316 -9.319 -1.091 1.00 0.00 C ATOM 0 H LEU A 99 0.897 -10.498 -2.013 1.00 0.00 H new ATOM 0 HA LEU A 99 3.257 -8.938 -2.817 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.726 -11.616 -1.541 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.199 -11.456 -2.477 1.00 0.00 H new ATOM 0 HG LEU A 99 3.455 -9.702 -0.097 1.00 0.00 H new ATOM 0 HD11 LEU A 99 5.217 -10.960 1.114 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.888 -12.022 0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.425 -12.019 -0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 99 5.799 -8.908 -0.205 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.050 -9.861 -1.686 1.00 0.00 H new ATOM 0 HD23 LEU A 99 4.896 -8.507 -1.685 1.00 0.00 H new ATOM 1496 N GLN A 100 1.800 -11.331 -4.593 1.00 0.00 N ATOM 1497 CA GLN A 100 1.718 -12.148 -5.832 1.00 0.00 C ATOM 1498 C GLN A 100 1.202 -11.355 -7.072 1.00 0.00 C ATOM 1499 O GLN A 100 0.869 -11.955 -8.099 1.00 0.00 O ATOM 1500 CB GLN A 100 0.795 -13.364 -5.530 1.00 0.00 C ATOM 1501 CG GLN A 100 -0.659 -12.986 -5.150 1.00 0.00 C ATOM 1502 CD GLN A 100 -1.482 -14.150 -4.579 1.00 0.00 C ATOM 1503 OE1 GLN A 100 -1.240 -15.312 -4.880 1.00 0.00 O ATOM 1504 NE2 GLN A 100 -2.473 -13.843 -3.757 1.00 0.00 N ATOM 0 H GLN A 100 1.015 -11.491 -3.962 1.00 0.00 H new ATOM 0 HA GLN A 100 2.724 -12.469 -6.101 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.772 -14.013 -6.405 1.00 0.00 H new ATOM 0 HB3 GLN A 100 1.232 -13.943 -4.716 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -0.633 -12.180 -4.417 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.165 -12.597 -6.034 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -2.656 -12.868 -3.521 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -3.054 -14.582 -3.360 1.00 0.00 H new ATOM 1513 N SER A 101 1.163 -10.012 -6.974 1.00 0.00 N ATOM 1514 CA SER A 101 0.704 -9.132 -8.076 1.00 0.00 C ATOM 1515 C SER A 101 1.467 -7.787 -8.075 1.00 0.00 C ATOM 1516 O SER A 101 1.810 -7.275 -9.145 1.00 0.00 O ATOM 1517 CB SER A 101 -0.827 -8.908 -7.995 1.00 0.00 C ATOM 1518 OG SER A 101 -1.304 -8.079 -9.043 1.00 0.00 O ATOM 0 H SER A 101 1.446 -9.505 -6.135 1.00 0.00 H new ATOM 0 HA SER A 101 0.924 -9.631 -9.020 1.00 0.00 H new ATOM 0 HB2 SER A 101 -1.336 -9.871 -8.036 1.00 0.00 H new ATOM 0 HB3 SER A 101 -1.076 -8.456 -7.035 1.00 0.00 H new ATOM 0 HG SER A 101 -2.226 -8.328 -9.263 1.00 0.00 H new ATOM 1524 N THR A 102 1.725 -7.216 -6.871 1.00 0.00 N ATOM 1525 CA THR A 102 2.555 -5.981 -6.724 1.00 0.00 C ATOM 1526 C THR A 102 4.002 -6.213 -7.230 1.00 0.00 C ATOM 1527 O THR A 102 4.645 -7.206 -6.862 1.00 0.00 O ATOM 1528 CB THR A 102 2.601 -5.481 -5.228 1.00 0.00 C ATOM 1529 OG1 THR A 102 1.268 -5.280 -4.725 1.00 0.00 O ATOM 1530 CG2 THR A 102 3.388 -4.164 -5.059 1.00 0.00 C ATOM 0 H THR A 102 1.374 -7.586 -5.988 1.00 0.00 H new ATOM 0 HA THR A 102 2.080 -5.213 -7.334 1.00 0.00 H new ATOM 0 HB THR A 102 3.115 -6.260 -4.665 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.729 -4.819 -5.401 1.00 0.00 H new ATOM 0 HG21 THR A 102 3.385 -3.870 -4.009 1.00 0.00 H new ATOM 0 HG22 THR A 102 4.416 -4.309 -5.392 1.00 0.00 H new ATOM 0 HG23 THR A 102 2.920 -3.381 -5.656 1.00 0.00 H new ATOM 1538 N GLU A 103 4.493 -5.300 -8.090 1.00 0.00 N ATOM 1539 CA GLU A 103 5.837 -5.411 -8.708 1.00 0.00 C ATOM 1540 C GLU A 103 6.969 -5.046 -7.707 1.00 0.00 C ATOM 1541 O GLU A 103 6.738 -4.374 -6.697 1.00 0.00 O ATOM 1542 CB GLU A 103 5.954 -4.505 -9.970 1.00 0.00 C ATOM 1543 CG GLU A 103 4.914 -4.757 -11.098 1.00 0.00 C ATOM 1544 CD GLU A 103 3.504 -4.198 -10.804 1.00 0.00 C ATOM 1545 OE1 GLU A 103 3.402 -3.025 -10.396 1.00 0.00 O ATOM 1546 OE2 GLU A 103 2.507 -4.927 -10.972 1.00 0.00 O ATOM 0 H GLU A 103 3.977 -4.469 -8.377 1.00 0.00 H new ATOM 0 HA GLU A 103 5.957 -6.454 -9.001 1.00 0.00 H new ATOM 0 HB2 GLU A 103 5.870 -3.465 -9.654 1.00 0.00 H new ATOM 0 HB3 GLU A 103 6.952 -4.631 -10.390 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.283 -4.311 -12.022 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.837 -5.830 -11.271 1.00 0.00 H new ATOM 1553 N LYS A 104 8.200 -5.481 -8.036 1.00 0.00 N ATOM 1554 CA LYS A 104 9.413 -5.198 -7.228 1.00 0.00 C ATOM 1555 C LYS A 104 9.841 -3.709 -7.318 1.00 0.00 C ATOM 1556 O LYS A 104 10.602 -3.238 -6.471 1.00 0.00 O ATOM 1557 CB LYS A 104 10.594 -6.135 -7.644 1.00 0.00 C ATOM 1558 CG LYS A 104 10.546 -7.571 -7.059 1.00 0.00 C ATOM 1559 CD LYS A 104 9.314 -8.399 -7.508 1.00 0.00 C ATOM 1560 CE LYS A 104 9.314 -9.816 -6.909 1.00 0.00 C ATOM 1561 NZ LYS A 104 8.106 -10.587 -7.287 1.00 0.00 N ATOM 0 H LYS A 104 8.387 -6.039 -8.869 1.00 0.00 H new ATOM 0 HA LYS A 104 9.157 -5.401 -6.188 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.613 -6.205 -8.732 1.00 0.00 H new ATOM 0 HB3 LYS A 104 11.530 -5.668 -7.338 1.00 0.00 H new ATOM 0 HG2 LYS A 104 11.452 -8.101 -7.352 1.00 0.00 H new ATOM 0 HG3 LYS A 104 10.551 -7.508 -5.971 1.00 0.00 H new ATOM 0 HD2 LYS A 104 8.402 -7.881 -7.210 1.00 0.00 H new ATOM 0 HD3 LYS A 104 9.301 -8.467 -8.596 1.00 0.00 H new ATOM 0 HE2 LYS A 104 10.203 -10.350 -7.245 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.374 -9.749 -5.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 8.151 -11.534 -6.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 7.257 -10.093 -6.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 8.061 -10.676 -8.322 1.00 0.00 H new ATOM 1575 N SER A 105 9.340 -2.972 -8.340 1.00 0.00 N ATOM 1576 CA SER A 105 9.577 -1.508 -8.485 1.00 0.00 C ATOM 1577 C SER A 105 9.019 -0.708 -7.278 1.00 0.00 C ATOM 1578 O SER A 105 9.519 0.381 -6.961 1.00 0.00 O ATOM 1579 CB SER A 105 8.950 -0.992 -9.803 1.00 0.00 C ATOM 1580 OG SER A 105 9.475 -1.665 -10.938 1.00 0.00 O ATOM 0 H SER A 105 8.765 -3.369 -9.083 1.00 0.00 H new ATOM 0 HA SER A 105 10.655 -1.352 -8.513 1.00 0.00 H new ATOM 0 HB2 SER A 105 7.869 -1.128 -9.768 1.00 0.00 H new ATOM 0 HB3 SER A 105 9.134 0.078 -9.898 1.00 0.00 H new ATOM 0 HG SER A 105 8.743 -1.902 -11.545 1.00 0.00 H new ATOM 1586 N ALA A 106 7.979 -1.268 -6.618 1.00 0.00 N ATOM 1587 CA ALA A 106 7.371 -0.688 -5.392 1.00 0.00 C ATOM 1588 C ALA A 106 8.374 -0.600 -4.215 1.00 0.00 C ATOM 1589 O ALA A 106 8.318 0.345 -3.428 1.00 0.00 O ATOM 1590 CB ALA A 106 6.134 -1.503 -4.975 1.00 0.00 C ATOM 0 H ALA A 106 7.535 -2.136 -6.919 1.00 0.00 H new ATOM 0 HA ALA A 106 7.072 0.332 -5.635 1.00 0.00 H new ATOM 0 HB1 ALA A 106 5.698 -1.068 -4.076 1.00 0.00 H new ATOM 0 HB2 ALA A 106 5.399 -1.486 -5.780 1.00 0.00 H new ATOM 0 HB3 ALA A 106 6.428 -2.533 -4.774 1.00 0.00 H new ATOM 1596 N LEU A 107 9.318 -1.567 -4.146 1.00 0.00 N ATOM 1597 CA LEU A 107 10.311 -1.729 -3.022 1.00 0.00 C ATOM 1598 C LEU A 107 11.294 -0.533 -2.850 1.00 0.00 C ATOM 1599 O LEU A 107 12.162 -0.577 -1.976 1.00 0.00 O ATOM 1600 CB LEU A 107 11.123 -3.057 -3.211 1.00 0.00 C ATOM 1601 CG LEU A 107 10.450 -4.382 -2.714 1.00 0.00 C ATOM 1602 CD1 LEU A 107 9.052 -4.597 -3.324 1.00 0.00 C ATOM 1603 CD2 LEU A 107 11.368 -5.603 -2.983 1.00 0.00 C ATOM 0 H LEU A 107 9.425 -2.274 -4.873 1.00 0.00 H new ATOM 0 HA LEU A 107 9.717 -1.763 -2.108 1.00 0.00 H new ATOM 0 HB2 LEU A 107 11.347 -3.169 -4.272 1.00 0.00 H new ATOM 0 HB3 LEU A 107 12.076 -2.947 -2.694 1.00 0.00 H new ATOM 0 HG LEU A 107 10.312 -4.283 -1.637 1.00 0.00 H new ATOM 0 HD11 LEU A 107 8.630 -5.529 -2.947 1.00 0.00 H new ATOM 0 HD12 LEU A 107 8.403 -3.766 -3.047 1.00 0.00 H new ATOM 0 HD13 LEU A 107 9.133 -4.648 -4.410 1.00 0.00 H new ATOM 0 HD21 LEU A 107 10.879 -6.511 -2.629 1.00 0.00 H new ATOM 0 HD22 LEU A 107 11.558 -5.687 -4.053 1.00 0.00 H new ATOM 0 HD23 LEU A 107 12.313 -5.471 -2.456 1.00 0.00 H new ATOM 1615 N ARG A 108 11.153 0.520 -3.663 1.00 0.00 N ATOM 1616 CA ARG A 108 11.989 1.742 -3.569 1.00 0.00 C ATOM 1617 C ARG A 108 11.264 2.821 -2.740 1.00 0.00 C ATOM 1618 O ARG A 108 11.890 3.671 -2.102 1.00 0.00 O ATOM 1619 CB ARG A 108 12.295 2.278 -4.991 1.00 0.00 C ATOM 1620 CG ARG A 108 13.016 1.271 -5.916 1.00 0.00 C ATOM 1621 CD ARG A 108 13.371 1.881 -7.282 1.00 0.00 C ATOM 1622 NE ARG A 108 14.234 3.069 -7.145 1.00 0.00 N ATOM 1623 CZ ARG A 108 14.751 3.759 -8.138 1.00 0.00 C ATOM 1624 NH1 ARG A 108 14.565 3.409 -9.379 1.00 0.00 N ATOM 1625 NH2 ARG A 108 15.471 4.796 -7.880 1.00 0.00 N ATOM 0 H ARG A 108 10.458 0.558 -4.408 1.00 0.00 H new ATOM 0 HA ARG A 108 12.927 1.493 -3.072 1.00 0.00 H new ATOM 0 HB2 ARG A 108 11.359 2.578 -5.462 1.00 0.00 H new ATOM 0 HB3 ARG A 108 12.909 3.175 -4.903 1.00 0.00 H new ATOM 0 HG2 ARG A 108 13.927 0.922 -5.429 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.380 0.399 -6.065 1.00 0.00 H new ATOM 0 HD2 ARG A 108 13.876 1.133 -7.893 1.00 0.00 H new ATOM 0 HD3 ARG A 108 12.456 2.155 -7.806 1.00 0.00 H new ATOM 0 HE ARG A 108 14.448 3.383 -6.198 1.00 0.00 H new ATOM 0 HH11 ARG A 108 14.008 2.583 -9.598 1.00 0.00 H new ATOM 0 HH12 ARG A 108 14.977 3.961 -10.132 1.00 0.00 H new ATOM 0 HH21 ARG A 108 15.635 5.075 -6.913 1.00 0.00 H new ATOM 0 HH22 ARG A 108 15.877 5.338 -8.643 1.00 0.00 H new ATOM 1639 N TYR A 109 9.926 2.760 -2.788 1.00 0.00 N ATOM 1640 CA TYR A 109 9.009 3.704 -2.123 1.00 0.00 C ATOM 1641 C TYR A 109 8.540 3.097 -0.790 1.00 0.00 C ATOM 1642 O TYR A 109 8.491 3.783 0.231 1.00 0.00 O ATOM 1643 CB TYR A 109 7.820 3.994 -3.078 1.00 0.00 C ATOM 1644 CG TYR A 109 8.280 4.502 -4.460 1.00 0.00 C ATOM 1645 CD1 TYR A 109 8.727 3.613 -5.450 1.00 0.00 C ATOM 1646 CD2 TYR A 109 8.318 5.868 -4.753 1.00 0.00 C ATOM 1647 CE1 TYR A 109 9.197 4.068 -6.664 1.00 0.00 C ATOM 1648 CE2 TYR A 109 8.775 6.324 -5.973 1.00 0.00 C ATOM 1649 CZ TYR A 109 9.220 5.422 -6.921 1.00 0.00 C ATOM 1650 OH TYR A 109 9.698 5.880 -8.129 1.00 0.00 O ATOM 0 H TYR A 109 9.434 2.031 -3.306 1.00 0.00 H new ATOM 0 HA TYR A 109 9.508 4.647 -1.901 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.232 3.085 -3.206 1.00 0.00 H new ATOM 0 HB3 TYR A 109 7.165 4.736 -2.622 1.00 0.00 H new ATOM 0 HD1 TYR A 109 8.702 2.551 -5.257 1.00 0.00 H new ATOM 0 HD2 TYR A 109 7.984 6.579 -4.012 1.00 0.00 H new ATOM 0 HE1 TYR A 109 9.545 3.368 -7.409 1.00 0.00 H new ATOM 0 HE2 TYR A 109 8.785 7.383 -6.186 1.00 0.00 H new ATOM 0 HH TYR A 109 9.993 5.120 -8.673 1.00 0.00 H new ATOM 1660 N VAL A 110 8.193 1.792 -0.830 1.00 0.00 N ATOM 1661 CA VAL A 110 8.052 0.954 0.380 1.00 0.00 C ATOM 1662 C VAL A 110 9.373 0.210 0.685 1.00 0.00 C ATOM 1663 O VAL A 110 10.433 0.491 0.112 1.00 0.00 O ATOM 1664 CB VAL A 110 6.909 -0.141 0.253 1.00 0.00 C ATOM 1665 CG1 VAL A 110 5.526 0.452 0.060 1.00 0.00 C ATOM 1666 CG2 VAL A 110 7.201 -1.135 -0.872 1.00 0.00 C ATOM 0 H VAL A 110 8.004 1.292 -1.699 1.00 0.00 H new ATOM 0 HA VAL A 110 7.789 1.644 1.182 1.00 0.00 H new ATOM 0 HB VAL A 110 6.910 -0.666 1.208 1.00 0.00 H new ATOM 0 HG11 VAL A 110 4.794 -0.351 -0.019 1.00 0.00 H new ATOM 0 HG12 VAL A 110 5.279 1.085 0.912 1.00 0.00 H new ATOM 0 HG13 VAL A 110 5.510 1.049 -0.852 1.00 0.00 H new ATOM 0 HG21 VAL A 110 6.397 -1.868 -0.927 1.00 0.00 H new ATOM 0 HG22 VAL A 110 7.272 -0.601 -1.820 1.00 0.00 H new ATOM 0 HG23 VAL A 110 8.143 -1.645 -0.672 1.00 0.00 H new ATOM 1676 N SER A 111 9.283 -0.703 1.645 1.00 0.00 N ATOM 1677 CA SER A 111 10.186 -1.847 1.774 1.00 0.00 C ATOM 1678 C SER A 111 9.376 -3.135 1.567 1.00 0.00 C ATOM 1679 O SER A 111 8.151 -3.149 1.766 1.00 0.00 O ATOM 1680 CB SER A 111 10.841 -1.835 3.161 1.00 0.00 C ATOM 1681 OG SER A 111 11.708 -2.947 3.357 1.00 0.00 O ATOM 0 H SER A 111 8.567 -0.671 2.371 1.00 0.00 H new ATOM 0 HA SER A 111 10.976 -1.793 1.024 1.00 0.00 H new ATOM 0 HB2 SER A 111 11.405 -0.911 3.286 1.00 0.00 H new ATOM 0 HB3 SER A 111 10.066 -1.842 3.927 1.00 0.00 H new ATOM 0 HG SER A 111 12.105 -2.899 4.252 1.00 0.00 H new ATOM 1687 N LEU A 112 10.055 -4.197 1.127 1.00 0.00 N ATOM 1688 CA LEU A 112 9.491 -5.562 1.058 1.00 0.00 C ATOM 1689 C LEU A 112 8.798 -5.960 2.390 1.00 0.00 C ATOM 1690 O LEU A 112 7.758 -6.615 2.385 1.00 0.00 O ATOM 1691 CB LEU A 112 10.636 -6.550 0.664 1.00 0.00 C ATOM 1692 CG LEU A 112 10.366 -8.106 0.786 1.00 0.00 C ATOM 1693 CD1 LEU A 112 11.080 -8.897 -0.334 1.00 0.00 C ATOM 1694 CD2 LEU A 112 10.797 -8.647 2.180 1.00 0.00 C ATOM 0 H LEU A 112 11.021 -4.141 0.804 1.00 0.00 H new ATOM 0 HA LEU A 112 8.712 -5.603 0.297 1.00 0.00 H new ATOM 0 HB2 LEU A 112 10.913 -6.342 -0.369 1.00 0.00 H new ATOM 0 HB3 LEU A 112 11.504 -6.315 1.280 1.00 0.00 H new ATOM 0 HG LEU A 112 9.292 -8.251 0.675 1.00 0.00 H new ATOM 0 HD11 LEU A 112 10.872 -9.961 -0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 112 10.717 -8.560 -1.305 1.00 0.00 H new ATOM 0 HD13 LEU A 112 12.155 -8.729 -0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 112 10.599 -9.718 2.232 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.862 -8.468 2.326 1.00 0.00 H new ATOM 0 HD23 LEU A 112 10.232 -8.135 2.959 1.00 0.00 H new ATOM 1706 N ALA A 113 9.377 -5.506 3.518 1.00 0.00 N ATOM 1707 CA ALA A 113 8.888 -5.817 4.882 1.00 0.00 C ATOM 1708 C ALA A 113 7.437 -5.321 5.146 1.00 0.00 C ATOM 1709 O ALA A 113 6.687 -5.988 5.859 1.00 0.00 O ATOM 1710 CB ALA A 113 9.855 -5.234 5.916 1.00 0.00 C ATOM 0 H ALA A 113 10.204 -4.908 3.512 1.00 0.00 H new ATOM 0 HA ALA A 113 8.853 -6.903 4.972 1.00 0.00 H new ATOM 0 HB1 ALA A 113 9.496 -5.462 6.919 1.00 0.00 H new ATOM 0 HB2 ALA A 113 10.844 -5.671 5.776 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.915 -4.153 5.789 1.00 0.00 H new ATOM 1716 N ASP A 114 7.049 -4.161 4.559 1.00 0.00 N ATOM 1717 CA ASP A 114 5.677 -3.608 4.703 1.00 0.00 C ATOM 1718 C ASP A 114 4.646 -4.539 4.028 1.00 0.00 C ATOM 1719 O ASP A 114 3.573 -4.824 4.582 1.00 0.00 O ATOM 1720 CB ASP A 114 5.605 -2.192 4.077 1.00 0.00 C ATOM 1721 CG ASP A 114 6.641 -1.232 4.675 1.00 0.00 C ATOM 1722 OD1 ASP A 114 7.816 -1.303 4.277 1.00 0.00 O ATOM 1723 OD2 ASP A 114 6.293 -0.421 5.548 1.00 0.00 O ATOM 0 H ASP A 114 7.666 -3.590 3.982 1.00 0.00 H new ATOM 0 HA ASP A 114 5.440 -3.539 5.765 1.00 0.00 H new ATOM 0 HB2 ASP A 114 5.761 -2.266 3.001 1.00 0.00 H new ATOM 0 HB3 ASP A 114 4.606 -1.782 4.227 1.00 0.00 H new ATOM 1728 N LEU A 115 5.033 -5.026 2.832 1.00 0.00 N ATOM 1729 CA LEU A 115 4.201 -5.911 1.995 1.00 0.00 C ATOM 1730 C LEU A 115 3.993 -7.282 2.683 1.00 0.00 C ATOM 1731 O LEU A 115 2.867 -7.735 2.867 1.00 0.00 O ATOM 1732 CB LEU A 115 4.853 -6.139 0.589 1.00 0.00 C ATOM 1733 CG LEU A 115 5.558 -4.923 -0.106 1.00 0.00 C ATOM 1734 CD1 LEU A 115 5.922 -5.244 -1.564 1.00 0.00 C ATOM 1735 CD2 LEU A 115 4.720 -3.650 -0.038 1.00 0.00 C ATOM 0 H LEU A 115 5.940 -4.814 2.417 1.00 0.00 H new ATOM 0 HA LEU A 115 3.237 -5.419 1.865 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.588 -6.938 0.688 1.00 0.00 H new ATOM 0 HB3 LEU A 115 4.076 -6.502 -0.084 1.00 0.00 H new ATOM 0 HG LEU A 115 6.478 -4.742 0.450 1.00 0.00 H new ATOM 0 HD11 LEU A 115 6.409 -4.380 -2.016 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.600 -6.097 -1.590 1.00 0.00 H new ATOM 0 HD13 LEU A 115 5.016 -5.483 -2.121 1.00 0.00 H new ATOM 0 HD21 LEU A 115 5.252 -2.837 -0.533 1.00 0.00 H new ATOM 0 HD22 LEU A 115 3.765 -3.816 -0.537 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.543 -3.386 1.005 1.00 0.00 H new ATOM 1747 N GLN A 116 5.121 -7.904 3.083 1.00 0.00 N ATOM 1748 CA GLN A 116 5.161 -9.274 3.647 1.00 0.00 C ATOM 1749 C GLN A 116 4.542 -9.350 5.058 1.00 0.00 C ATOM 1750 O GLN A 116 4.105 -10.415 5.501 1.00 0.00 O ATOM 1751 CB GLN A 116 6.619 -9.786 3.679 1.00 0.00 C ATOM 1752 CG GLN A 116 7.355 -9.751 2.304 1.00 0.00 C ATOM 1753 CD GLN A 116 7.966 -11.079 1.830 1.00 0.00 C ATOM 1754 OE1 GLN A 116 8.129 -11.302 0.636 1.00 0.00 O ATOM 1755 NE2 GLN A 116 8.285 -11.976 2.741 1.00 0.00 N ATOM 0 H GLN A 116 6.041 -7.467 3.024 1.00 0.00 H new ATOM 0 HA GLN A 116 4.559 -9.910 2.998 1.00 0.00 H new ATOM 0 HB2 GLN A 116 7.184 -9.187 4.393 1.00 0.00 H new ATOM 0 HB3 GLN A 116 6.621 -10.811 4.050 1.00 0.00 H new ATOM 0 HG2 GLN A 116 6.650 -9.408 1.546 1.00 0.00 H new ATOM 0 HG3 GLN A 116 8.150 -9.008 2.359 1.00 0.00 H new ATOM 0 HE21 GLN A 116 8.142 -11.772 3.730 1.00 0.00 H new ATOM 0 HE22 GLN A 116 8.675 -12.875 2.457 1.00 0.00 H new ATOM 1764 N ALA A 117 4.550 -8.214 5.765 1.00 0.00 N ATOM 1765 CA ALA A 117 3.827 -8.062 7.049 1.00 0.00 C ATOM 1766 C ALA A 117 2.293 -8.271 6.895 1.00 0.00 C ATOM 1767 O ALA A 117 1.615 -8.632 7.861 1.00 0.00 O ATOM 1768 CB ALA A 117 4.117 -6.680 7.644 1.00 0.00 C ATOM 0 H ALA A 117 5.052 -7.375 5.473 1.00 0.00 H new ATOM 0 HA ALA A 117 4.188 -8.839 7.723 1.00 0.00 H new ATOM 0 HB1 ALA A 117 3.584 -6.571 8.588 1.00 0.00 H new ATOM 0 HB2 ALA A 117 5.188 -6.576 7.818 1.00 0.00 H new ATOM 0 HB3 ALA A 117 3.786 -5.908 6.949 1.00 0.00 H new ATOM 1774 N HIS A 118 1.753 -8.013 5.680 1.00 0.00 N ATOM 1775 CA HIS A 118 0.294 -8.119 5.381 1.00 0.00 C ATOM 1776 C HIS A 118 0.021 -8.905 4.075 1.00 0.00 C ATOM 1777 O HIS A 118 -1.025 -8.722 3.432 1.00 0.00 O ATOM 1778 CB HIS A 118 -0.322 -6.695 5.332 1.00 0.00 C ATOM 1779 CG HIS A 118 -0.265 -6.011 6.663 1.00 0.00 C ATOM 1780 ND1 HIS A 118 0.865 -5.382 7.136 1.00 0.00 N ATOM 1781 CD2 HIS A 118 -1.173 -5.941 7.661 1.00 0.00 C ATOM 1782 CE1 HIS A 118 0.654 -4.974 8.367 1.00 0.00 C ATOM 1783 NE2 HIS A 118 -0.574 -5.296 8.708 1.00 0.00 N ATOM 0 H HIS A 118 2.311 -7.725 4.876 1.00 0.00 H new ATOM 0 HA HIS A 118 -0.184 -8.688 6.179 1.00 0.00 H new ATOM 0 HB2 HIS A 118 0.210 -6.095 4.594 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -1.359 -6.760 5.002 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -2.183 -6.323 7.637 1.00 0.00 H new ATOM 0 HE1 HIS A 118 1.369 -4.461 8.993 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -1.010 -5.097 9.608 1.00 0.00 H new ATOM 1792 N ALA A 119 0.958 -9.806 3.728 1.00 0.00 N ATOM 1793 CA ALA A 119 0.846 -10.716 2.562 1.00 0.00 C ATOM 1794 C ALA A 119 1.913 -11.827 2.643 1.00 0.00 C ATOM 1795 O ALA A 119 2.955 -11.648 3.270 1.00 0.00 O ATOM 1796 CB ALA A 119 1.001 -9.946 1.237 1.00 0.00 C ATOM 0 H ALA A 119 1.825 -9.928 4.251 1.00 0.00 H new ATOM 0 HA ALA A 119 -0.147 -11.166 2.587 1.00 0.00 H new ATOM 0 HB1 ALA A 119 0.914 -10.640 0.401 1.00 0.00 H new ATOM 0 HB2 ALA A 119 0.220 -9.189 1.163 1.00 0.00 H new ATOM 0 HB3 ALA A 119 1.978 -9.464 1.209 1.00 0.00 H new ATOM 1802 N LEU A 120 1.660 -12.970 1.993 1.00 0.00 N ATOM 1803 CA LEU A 120 2.634 -14.080 1.912 1.00 0.00 C ATOM 1804 C LEU A 120 2.616 -14.727 0.501 1.00 0.00 C ATOM 1805 O LEU A 120 1.675 -14.498 -0.280 1.00 0.00 O ATOM 1806 CB LEU A 120 2.352 -15.160 2.998 1.00 0.00 C ATOM 1807 CG LEU A 120 1.042 -16.011 2.838 1.00 0.00 C ATOM 1808 CD1 LEU A 120 1.119 -17.301 3.675 1.00 0.00 C ATOM 1809 CD2 LEU A 120 -0.221 -15.192 3.194 1.00 0.00 C ATOM 0 H LEU A 120 0.782 -13.157 1.509 1.00 0.00 H new ATOM 0 HA LEU A 120 3.624 -13.662 2.094 1.00 0.00 H new ATOM 0 HB2 LEU A 120 3.199 -15.845 3.022 1.00 0.00 H new ATOM 0 HB3 LEU A 120 2.316 -14.663 3.968 1.00 0.00 H new ATOM 0 HG LEU A 120 0.961 -16.291 1.788 1.00 0.00 H new ATOM 0 HD11 LEU A 120 0.200 -17.873 3.547 1.00 0.00 H new ATOM 0 HD12 LEU A 120 1.968 -17.899 3.344 1.00 0.00 H new ATOM 0 HD13 LEU A 120 1.244 -17.045 4.727 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -1.106 -15.816 3.071 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -0.156 -14.855 4.228 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -0.292 -14.327 2.534 1.00 0.00 H new ATOM 1821 N PRO A 121 3.700 -15.493 0.132 1.00 0.00 N ATOM 1822 CA PRO A 121 3.691 -16.414 -1.041 1.00 0.00 C ATOM 1823 C PRO A 121 2.459 -17.362 -1.068 1.00 0.00 C ATOM 1824 O PRO A 121 2.055 -17.884 -0.019 1.00 0.00 O ATOM 1825 CB PRO A 121 4.996 -17.228 -0.842 1.00 0.00 C ATOM 1826 CG PRO A 121 5.920 -16.279 -0.153 1.00 0.00 C ATOM 1827 CD PRO A 121 5.048 -15.470 0.785 1.00 0.00 C ATOM 0 HA PRO A 121 3.633 -15.871 -1.984 1.00 0.00 H new ATOM 0 HB2 PRO A 121 4.821 -18.120 -0.241 1.00 0.00 H new ATOM 0 HB3 PRO A 121 5.406 -17.562 -1.795 1.00 0.00 H new ATOM 0 HG2 PRO A 121 6.694 -16.815 0.396 1.00 0.00 H new ATOM 0 HG3 PRO A 121 6.427 -15.634 -0.871 1.00 0.00 H new ATOM 0 HD2 PRO A 121 5.017 -15.911 1.782 1.00 0.00 H new ATOM 0 HD3 PRO A 121 5.420 -14.452 0.898 1.00 0.00 H new ATOM 1835 N VAL A 122 1.870 -17.578 -2.267 1.00 0.00 N ATOM 1836 CA VAL A 122 0.734 -18.509 -2.438 1.00 0.00 C ATOM 1837 C VAL A 122 1.192 -19.971 -2.145 1.00 0.00 C ATOM 1838 O VAL A 122 2.178 -20.459 -2.708 1.00 0.00 O ATOM 1839 CB VAL A 122 0.060 -18.368 -3.858 1.00 0.00 C ATOM 1840 CG1 VAL A 122 1.048 -18.682 -5.015 1.00 0.00 C ATOM 1841 CG2 VAL A 122 -1.230 -19.226 -3.956 1.00 0.00 C ATOM 0 H VAL A 122 2.164 -17.119 -3.129 1.00 0.00 H new ATOM 0 HA VAL A 122 -0.037 -18.244 -1.714 1.00 0.00 H new ATOM 0 HB VAL A 122 -0.227 -17.323 -3.972 1.00 0.00 H new ATOM 0 HG11 VAL A 122 0.536 -18.571 -5.971 1.00 0.00 H new ATOM 0 HG12 VAL A 122 1.890 -17.991 -4.972 1.00 0.00 H new ATOM 0 HG13 VAL A 122 1.412 -19.705 -4.915 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.671 -19.108 -4.946 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -0.983 -20.275 -3.792 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -1.943 -18.899 -3.199 1.00 0.00 H new ATOM 1851 N LEU A 123 0.466 -20.648 -1.236 1.00 0.00 N ATOM 1852 CA LEU A 123 0.929 -21.876 -0.571 1.00 0.00 C ATOM 1853 C LEU A 123 0.919 -23.096 -1.528 1.00 0.00 C ATOM 1854 O LEU A 123 -0.134 -23.673 -1.818 1.00 0.00 O ATOM 1855 CB LEU A 123 0.074 -22.149 0.702 1.00 0.00 C ATOM 1856 CG LEU A 123 0.156 -21.083 1.861 1.00 0.00 C ATOM 1857 CD1 LEU A 123 -0.575 -19.760 1.511 1.00 0.00 C ATOM 1858 CD2 LEU A 123 -0.368 -21.670 3.192 1.00 0.00 C ATOM 0 H LEU A 123 -0.465 -20.354 -0.942 1.00 0.00 H new ATOM 0 HA LEU A 123 1.966 -21.724 -0.271 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -0.969 -22.238 0.397 1.00 0.00 H new ATOM 0 HB3 LEU A 123 0.371 -23.116 1.109 1.00 0.00 H new ATOM 0 HG LEU A 123 1.210 -20.835 1.983 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -0.486 -19.064 2.345 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -0.125 -19.320 0.621 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -1.628 -19.966 1.321 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -0.300 -20.914 3.975 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -1.407 -21.975 3.071 1.00 0.00 H new ATOM 0 HD23 LEU A 123 0.234 -22.535 3.470 1.00 0.00 H new ATOM 1870 N GLU A 124 2.113 -23.441 -2.047 1.00 0.00 N ATOM 1871 CA GLU A 124 2.339 -24.647 -2.889 1.00 0.00 C ATOM 1872 C GLU A 124 3.200 -25.707 -2.148 1.00 0.00 C ATOM 1873 O GLU A 124 3.173 -26.893 -2.497 1.00 0.00 O ATOM 1874 CB GLU A 124 2.946 -24.245 -4.285 1.00 0.00 C ATOM 1875 CG GLU A 124 3.826 -22.965 -4.315 1.00 0.00 C ATOM 1876 CD GLU A 124 5.162 -23.087 -3.554 1.00 0.00 C ATOM 1877 OE1 GLU A 124 5.185 -22.866 -2.326 1.00 0.00 O ATOM 1878 OE2 GLU A 124 6.190 -23.400 -4.184 1.00 0.00 O ATOM 0 H GLU A 124 2.959 -22.891 -1.897 1.00 0.00 H new ATOM 0 HA GLU A 124 1.374 -25.117 -3.080 1.00 0.00 H new ATOM 0 HB2 GLU A 124 3.545 -25.079 -4.650 1.00 0.00 H new ATOM 0 HB3 GLU A 124 2.124 -24.111 -4.989 1.00 0.00 H new ATOM 0 HG2 GLU A 124 4.036 -22.709 -5.353 1.00 0.00 H new ATOM 0 HG3 GLU A 124 3.256 -22.138 -3.892 1.00 0.00 H new ATOM 1885 N HIS A 125 3.959 -25.268 -1.126 1.00 0.00 N ATOM 1886 CA HIS A 125 4.735 -26.168 -0.230 1.00 0.00 C ATOM 1887 C HIS A 125 4.440 -25.887 1.266 1.00 0.00 C ATOM 1888 O HIS A 125 3.653 -24.996 1.605 1.00 0.00 O ATOM 1889 CB HIS A 125 6.255 -26.079 -0.533 1.00 0.00 C ATOM 1890 CG HIS A 125 6.654 -26.748 -1.825 1.00 0.00 C ATOM 1891 ND1 HIS A 125 6.509 -28.100 -2.036 1.00 0.00 N ATOM 1892 CD2 HIS A 125 7.170 -26.253 -2.971 1.00 0.00 C ATOM 1893 CE1 HIS A 125 6.913 -28.405 -3.251 1.00 0.00 C ATOM 1894 NE2 HIS A 125 7.320 -27.306 -3.839 1.00 0.00 N ATOM 0 H HIS A 125 4.056 -24.280 -0.892 1.00 0.00 H new ATOM 0 HA HIS A 125 4.411 -27.189 -0.433 1.00 0.00 H new ATOM 0 HB2 HIS A 125 6.548 -25.030 -0.571 1.00 0.00 H new ATOM 0 HB3 HIS A 125 6.808 -26.535 0.288 1.00 0.00 H new ATOM 0 HD2 HIS A 125 7.418 -25.221 -3.168 1.00 0.00 H new ATOM 0 HE1 HIS A 125 6.910 -29.392 -3.689 1.00 0.00 H new ATOM 0 HE2 HIS A 125 7.689 -27.244 -4.788 1.00 0.00 H new ATOM 1903 N HIS A 126 5.092 -26.680 2.144 1.00 0.00 N ATOM 1904 CA HIS A 126 4.826 -26.700 3.601 1.00 0.00 C ATOM 1905 C HIS A 126 5.361 -25.439 4.325 1.00 0.00 C ATOM 1906 O HIS A 126 6.490 -25.002 4.096 1.00 0.00 O ATOM 1907 CB HIS A 126 5.462 -27.977 4.217 1.00 0.00 C ATOM 1908 CG HIS A 126 5.143 -28.216 5.676 1.00 0.00 C ATOM 1909 ND1 HIS A 126 4.021 -28.894 6.092 1.00 0.00 N ATOM 1910 CD2 HIS A 126 5.806 -27.877 6.813 1.00 0.00 C ATOM 1911 CE1 HIS A 126 4.001 -28.955 7.408 1.00 0.00 C ATOM 1912 NE2 HIS A 126 5.070 -28.350 7.869 1.00 0.00 N ATOM 0 H HIS A 126 5.824 -27.330 1.860 1.00 0.00 H new ATOM 0 HA HIS A 126 3.745 -26.706 3.740 1.00 0.00 H new ATOM 0 HB2 HIS A 126 5.130 -28.842 3.643 1.00 0.00 H new ATOM 0 HB3 HIS A 126 6.544 -27.915 4.104 1.00 0.00 H new ATOM 0 HD2 HIS A 126 6.739 -27.336 6.874 1.00 0.00 H new ATOM 0 HE1 HIS A 126 3.234 -29.424 8.006 1.00 0.00 H new ATOM 0 HE2 HIS A 126 5.314 -28.248 8.854 1.00 0.00 H new ATOM 1921 N HIS A 127 4.516 -24.869 5.193 1.00 0.00 N ATOM 1922 CA HIS A 127 4.901 -23.852 6.196 1.00 0.00 C ATOM 1923 C HIS A 127 4.533 -24.381 7.605 1.00 0.00 C ATOM 1924 O HIS A 127 3.854 -25.411 7.716 1.00 0.00 O ATOM 1925 CB HIS A 127 4.201 -22.497 5.900 1.00 0.00 C ATOM 1926 CG HIS A 127 4.616 -21.869 4.584 1.00 0.00 C ATOM 1927 ND1 HIS A 127 5.654 -20.970 4.475 1.00 0.00 N ATOM 1928 CD2 HIS A 127 4.139 -22.023 3.322 1.00 0.00 C ATOM 1929 CE1 HIS A 127 5.803 -20.615 3.215 1.00 0.00 C ATOM 1930 NE2 HIS A 127 4.897 -21.237 2.492 1.00 0.00 N ATOM 0 H HIS A 127 3.524 -25.103 5.223 1.00 0.00 H new ATOM 0 HA HIS A 127 5.975 -23.674 6.150 1.00 0.00 H new ATOM 0 HB2 HIS A 127 3.122 -22.650 5.895 1.00 0.00 H new ATOM 0 HB3 HIS A 127 4.420 -21.801 6.709 1.00 0.00 H new ATOM 0 HD2 HIS A 127 3.312 -22.651 3.025 1.00 0.00 H new ATOM 0 HE1 HIS A 127 6.546 -19.927 2.838 1.00 0.00 H new ATOM 0 HE2 HIS A 127 4.778 -21.149 1.483 1.00 0.00 H new ATOM 1939 N HIS A 128 4.979 -23.664 8.665 1.00 0.00 N ATOM 1940 CA HIS A 128 4.817 -24.079 10.089 1.00 0.00 C ATOM 1941 C HIS A 128 5.655 -25.351 10.403 1.00 0.00 C ATOM 1942 O HIS A 128 5.244 -26.475 10.099 1.00 0.00 O ATOM 1943 CB HIS A 128 3.321 -24.287 10.480 1.00 0.00 C ATOM 1944 CG HIS A 128 2.463 -23.047 10.393 1.00 0.00 C ATOM 1945 ND1 HIS A 128 1.873 -22.461 11.494 1.00 0.00 N ATOM 1946 CD2 HIS A 128 2.064 -22.303 9.328 1.00 0.00 C ATOM 1947 CE1 HIS A 128 1.157 -21.423 11.114 1.00 0.00 C ATOM 1948 NE2 HIS A 128 1.256 -21.304 9.807 1.00 0.00 N ATOM 0 H HIS A 128 5.466 -22.774 8.560 1.00 0.00 H new ATOM 0 HA HIS A 128 5.196 -23.260 10.700 1.00 0.00 H new ATOM 0 HB2 HIS A 128 2.894 -25.053 9.832 1.00 0.00 H new ATOM 0 HB3 HIS A 128 3.277 -24.671 11.499 1.00 0.00 H new ATOM 0 HD2 HIS A 128 2.333 -22.468 8.295 1.00 0.00 H new ATOM 0 HE1 HIS A 128 0.585 -20.778 11.765 1.00 0.00 H new ATOM 0 HE2 HIS A 128 0.805 -20.585 9.242 1.00 0.00 H new ATOM 1957 N HIS A 129 6.839 -25.146 11.006 1.00 0.00 N ATOM 1958 CA HIS A 129 7.807 -26.222 11.320 1.00 0.00 C ATOM 1959 C HIS A 129 8.809 -25.764 12.407 1.00 0.00 C ATOM 1960 O HIS A 129 8.911 -24.566 12.712 1.00 0.00 O ATOM 1961 CB HIS A 129 8.571 -26.665 10.036 1.00 0.00 C ATOM 1962 CG HIS A 129 9.426 -25.583 9.415 1.00 0.00 C ATOM 1963 ND1 HIS A 129 10.775 -25.449 9.673 1.00 0.00 N ATOM 1964 CD2 HIS A 129 9.124 -24.591 8.536 1.00 0.00 C ATOM 1965 CE1 HIS A 129 11.257 -24.428 8.999 1.00 0.00 C ATOM 1966 NE2 HIS A 129 10.284 -23.893 8.298 1.00 0.00 N ATOM 0 H HIS A 129 7.158 -24.221 11.294 1.00 0.00 H new ATOM 0 HA HIS A 129 7.248 -27.075 11.705 1.00 0.00 H new ATOM 0 HB2 HIS A 129 9.205 -27.517 10.281 1.00 0.00 H new ATOM 0 HB3 HIS A 129 7.847 -27.008 9.297 1.00 0.00 H new ATOM 0 HD2 HIS A 129 8.154 -24.389 8.105 1.00 0.00 H new ATOM 0 HE1 HIS A 129 12.281 -24.087 9.019 1.00 0.00 H new ATOM 0 HE2 HIS A 129 10.374 -23.089 7.677 1.00 0.00 H new ATOM 1975 N HIS A 130 9.564 -26.727 12.972 1.00 0.00 N ATOM 1976 CA HIS A 130 10.620 -26.448 13.979 1.00 0.00 C ATOM 1977 C HIS A 130 11.939 -25.983 13.279 1.00 0.00 C ATOM 1978 O HIS A 130 12.193 -24.759 13.219 1.00 0.00 O ATOM 1979 CB HIS A 130 10.864 -27.701 14.865 1.00 0.00 C ATOM 1980 CG HIS A 130 9.664 -28.138 15.664 1.00 0.00 C ATOM 1981 ND1 HIS A 130 9.491 -27.839 17.002 1.00 0.00 N ATOM 1982 CD2 HIS A 130 8.577 -28.860 15.312 1.00 0.00 C ATOM 1983 CE1 HIS A 130 8.360 -28.353 17.429 1.00 0.00 C ATOM 1984 NE2 HIS A 130 7.786 -28.974 16.424 1.00 0.00 N ATOM 1985 OXT HIS A 130 12.689 -26.840 12.763 1.00 0.00 O ATOM 0 H HIS A 130 9.464 -27.717 12.748 1.00 0.00 H new ATOM 0 HA HIS A 130 10.283 -25.637 14.625 1.00 0.00 H new ATOM 0 HB2 HIS A 130 11.182 -28.526 14.228 1.00 0.00 H new ATOM 0 HB3 HIS A 130 11.686 -27.493 15.550 1.00 0.00 H new ATOM 0 HD2 HIS A 130 8.371 -29.271 14.335 1.00 0.00 H new ATOM 0 HE1 HIS A 130 7.970 -28.278 18.433 1.00 0.00 H new ATOM 0 HE2 HIS A 130 6.892 -29.464 16.465 1.00 0.00 H new TER 1994 HIS A 130