USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 403 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 8 TYR OH : rot -151:sc= -0.902 USER MOD Set 1.2: A 11 TYR OH : rot 3:sc= -0.808 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -173:sc= -3.03 (180deg=-3.26) USER MOD Single : A 6 LYS NZ :NH3+ -159:sc= -0.0956 (180deg=-0.751) USER MOD Single : A 10 ASN : amide:sc= -0.39 K(o=-0.39,f=-1.8!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0904) USER MOD Single : A 17 GLN : amide:sc= -4.23! C(o=-4.2!,f=-3.4!) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 21 GLN : amide:sc= -4.7! C(o=-4.7!,f=-10!) USER MOD Single : A 23 ASN : amide:sc= -2.76! C(o=-2.8!,f=-9.4!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= -2.24! K(o=-2.2!,f=-1) USER MOD Single : A 34 SER OG : rot 180:sc= -0.0774 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 153:sc= -1.22 (180deg=-1.89) USER MOD Single : A 44 ASN : amide:sc= -0.0609 K(o=-0.061,f=-2.3!) USER MOD Single : A 46 GLN : amide:sc= -3.48! C(o=-3.5!,f=-6.1!) USER MOD Single : A 51 TYR OH : rot 70:sc= -2.17 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 2 87.751 -10.874 -54.068 1.00 0.00 N ATOM 2 CA ASP A 2 87.839 -11.696 -52.867 1.00 0.00 C ATOM 3 C ASP A 2 88.438 -13.060 -53.194 1.00 0.00 C ATOM 4 O ASP A 2 87.773 -14.089 -53.068 1.00 0.00 O ATOM 5 CB ASP A 2 86.449 -11.880 -52.257 1.00 0.00 C ATOM 6 CG ASP A 2 85.968 -10.566 -51.649 1.00 0.00 C ATOM 7 OD1 ASP A 2 86.770 -9.651 -51.556 1.00 0.00 O ATOM 8 OD2 ASP A 2 84.806 -10.495 -51.285 1.00 0.00 O ATOM 0 HA ASP A 2 88.486 -11.190 -52.150 1.00 0.00 H new ATOM 0 HB2 ASP A 2 85.748 -12.214 -53.022 1.00 0.00 H new ATOM 0 HB3 ASP A 2 86.479 -12.655 -51.491 1.00 0.00 H new ATOM 13 N LYS A 3 89.698 -13.062 -53.616 1.00 0.00 N ATOM 14 CA LYS A 3 90.379 -14.306 -53.959 1.00 0.00 C ATOM 15 C LYS A 3 90.610 -15.152 -52.711 1.00 0.00 C ATOM 16 O LYS A 3 90.235 -16.324 -52.666 1.00 0.00 O ATOM 17 CB LYS A 3 91.720 -13.999 -54.626 1.00 0.00 C ATOM 18 CG LYS A 3 91.485 -13.174 -55.893 1.00 0.00 C ATOM 19 CD LYS A 3 92.772 -13.125 -56.717 1.00 0.00 C ATOM 20 CE LYS A 3 93.873 -12.443 -55.904 1.00 0.00 C ATOM 21 NZ LYS A 3 94.960 -11.993 -56.818 1.00 0.00 N ATOM 0 H LYS A 3 90.266 -12.222 -53.728 1.00 0.00 H new ATOM 0 HA LYS A 3 89.749 -14.865 -54.651 1.00 0.00 H new ATOM 0 HB2 LYS A 3 92.363 -13.451 -53.937 1.00 0.00 H new ATOM 0 HB3 LYS A 3 92.235 -14.927 -54.874 1.00 0.00 H new ATOM 0 HG2 LYS A 3 90.680 -13.614 -56.482 1.00 0.00 H new ATOM 0 HG3 LYS A 3 91.171 -12.164 -55.629 1.00 0.00 H new ATOM 0 HD2 LYS A 3 93.080 -14.134 -56.991 1.00 0.00 H new ATOM 0 HD3 LYS A 3 92.601 -12.581 -57.646 1.00 0.00 H new ATOM 0 HE2 LYS A 3 93.464 -11.591 -55.361 1.00 0.00 H new ATOM 0 HE3 LYS A 3 94.271 -13.133 -55.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 95.709 -11.529 -56.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 95.357 -12.815 -57.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 94.574 -11.320 -57.511 1.00 0.00 H new ATOM 35 N CYS A 4 91.233 -14.553 -51.701 1.00 0.00 N ATOM 36 CA CYS A 4 91.510 -15.264 -50.457 1.00 0.00 C ATOM 37 C CYS A 4 90.318 -15.203 -49.514 1.00 0.00 C ATOM 38 O CYS A 4 89.997 -16.171 -48.823 1.00 0.00 O ATOM 39 CB CYS A 4 92.706 -14.626 -49.749 1.00 0.00 C ATOM 40 SG CYS A 4 94.108 -14.538 -50.891 1.00 0.00 S ATOM 0 H CYS A 4 91.554 -13.585 -51.718 1.00 0.00 H new ATOM 0 HA CYS A 4 91.721 -16.303 -50.711 1.00 0.00 H new ATOM 0 HB2 CYS A 4 92.445 -13.627 -49.400 1.00 0.00 H new ATOM 0 HB3 CYS A 4 92.976 -15.211 -48.870 1.00 0.00 H new ATOM 45 N LYS A 5 89.675 -14.040 -49.472 1.00 0.00 N ATOM 46 CA LYS A 5 88.538 -13.838 -48.583 1.00 0.00 C ATOM 47 C LYS A 5 87.354 -14.694 -49.023 1.00 0.00 C ATOM 48 O LYS A 5 86.825 -14.522 -50.122 1.00 0.00 O ATOM 49 CB LYS A 5 88.131 -12.362 -48.582 1.00 0.00 C ATOM 50 CG LYS A 5 89.386 -11.488 -48.616 1.00 0.00 C ATOM 51 CD LYS A 5 90.280 -11.830 -47.422 1.00 0.00 C ATOM 52 CE LYS A 5 91.426 -10.820 -47.336 1.00 0.00 C ATOM 53 NZ LYS A 5 90.873 -9.466 -47.052 1.00 0.00 N ATOM 0 H LYS A 5 89.920 -13.229 -50.039 1.00 0.00 H new ATOM 0 HA LYS A 5 88.831 -14.135 -47.576 1.00 0.00 H new ATOM 0 HB2 LYS A 5 87.501 -12.147 -49.445 1.00 0.00 H new ATOM 0 HB3 LYS A 5 87.542 -12.137 -47.693 1.00 0.00 H new ATOM 0 HG2 LYS A 5 89.929 -11.649 -49.548 1.00 0.00 H new ATOM 0 HG3 LYS A 5 89.109 -10.434 -48.586 1.00 0.00 H new ATOM 0 HD2 LYS A 5 89.697 -11.814 -46.501 1.00 0.00 H new ATOM 0 HD3 LYS A 5 90.678 -12.839 -47.529 1.00 0.00 H new ATOM 0 HE2 LYS A 5 92.124 -11.112 -46.551 1.00 0.00 H new ATOM 0 HE3 LYS A 5 91.985 -10.807 -48.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 91.635 -8.761 -47.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 90.136 -9.239 -47.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 90.461 -9.452 -46.097 1.00 0.00 H new ATOM 67 N LYS A 6 86.944 -15.617 -48.159 1.00 0.00 N ATOM 68 CA LYS A 6 85.812 -16.485 -48.463 1.00 0.00 C ATOM 69 C LYS A 6 84.745 -16.372 -47.378 1.00 0.00 C ATOM 70 O LYS A 6 85.057 -16.339 -46.188 1.00 0.00 O ATOM 71 CB LYS A 6 86.282 -17.937 -48.571 1.00 0.00 C ATOM 72 CG LYS A 6 87.237 -18.077 -49.759 1.00 0.00 C ATOM 73 CD LYS A 6 87.657 -19.541 -49.906 1.00 0.00 C ATOM 74 CE LYS A 6 88.720 -19.660 -51.000 1.00 0.00 C ATOM 75 NZ LYS A 6 88.246 -18.963 -52.230 1.00 0.00 N ATOM 0 H LYS A 6 87.375 -15.783 -47.249 1.00 0.00 H new ATOM 0 HA LYS A 6 85.382 -16.171 -49.414 1.00 0.00 H new ATOM 0 HB2 LYS A 6 86.783 -18.238 -47.651 1.00 0.00 H new ATOM 0 HB3 LYS A 6 85.426 -18.599 -48.699 1.00 0.00 H new ATOM 0 HG2 LYS A 6 86.751 -17.733 -50.672 1.00 0.00 H new ATOM 0 HG3 LYS A 6 88.115 -17.449 -49.609 1.00 0.00 H new ATOM 0 HD2 LYS A 6 88.050 -19.914 -48.960 1.00 0.00 H new ATOM 0 HD3 LYS A 6 86.792 -20.155 -50.156 1.00 0.00 H new ATOM 0 HE2 LYS A 6 89.658 -19.222 -50.660 1.00 0.00 H new ATOM 0 HE3 LYS A 6 88.918 -20.710 -51.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 88.764 -19.325 -53.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 87.228 -19.136 -52.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 88.415 -17.941 -52.137 1.00 0.00 H new ATOM 89 N VAL A 7 83.485 -16.313 -47.797 1.00 0.00 N ATOM 90 CA VAL A 7 82.382 -16.177 -46.853 1.00 0.00 C ATOM 91 C VAL A 7 81.504 -17.424 -46.869 1.00 0.00 C ATOM 92 O VAL A 7 81.102 -17.899 -47.932 1.00 0.00 O ATOM 93 CB VAL A 7 81.539 -14.951 -47.207 1.00 0.00 C ATOM 94 CG1 VAL A 7 80.935 -15.131 -48.601 1.00 0.00 C ATOM 95 CG2 VAL A 7 80.412 -14.795 -46.182 1.00 0.00 C ATOM 0 H VAL A 7 83.204 -16.357 -48.776 1.00 0.00 H new ATOM 0 HA VAL A 7 82.798 -16.054 -45.853 1.00 0.00 H new ATOM 0 HB VAL A 7 82.169 -14.062 -47.196 1.00 0.00 H new ATOM 0 HG11 VAL A 7 80.334 -14.257 -48.853 1.00 0.00 H new ATOM 0 HG12 VAL A 7 81.735 -15.244 -49.332 1.00 0.00 H new ATOM 0 HG13 VAL A 7 80.305 -16.020 -48.612 1.00 0.00 H new ATOM 0 HG21 VAL A 7 79.810 -13.921 -46.433 1.00 0.00 H new ATOM 0 HG22 VAL A 7 79.783 -15.685 -46.195 1.00 0.00 H new ATOM 0 HG23 VAL A 7 80.840 -14.667 -45.188 1.00 0.00 H new ATOM 105 N TYR A 8 81.206 -17.947 -45.684 1.00 0.00 N ATOM 106 CA TYR A 8 80.327 -19.105 -45.570 1.00 0.00 C ATOM 107 C TYR A 8 79.442 -18.984 -44.334 1.00 0.00 C ATOM 108 O TYR A 8 79.931 -19.000 -43.204 1.00 0.00 O ATOM 109 CB TYR A 8 81.159 -20.386 -45.483 1.00 0.00 C ATOM 110 CG TYR A 8 81.656 -20.572 -44.070 1.00 0.00 C ATOM 111 CD1 TYR A 8 82.876 -20.007 -43.678 1.00 0.00 C ATOM 112 CD2 TYR A 8 80.900 -21.310 -43.152 1.00 0.00 C ATOM 113 CE1 TYR A 8 83.339 -20.180 -42.368 1.00 0.00 C ATOM 114 CE2 TYR A 8 81.363 -21.483 -41.842 1.00 0.00 C ATOM 115 CZ TYR A 8 82.582 -20.917 -41.450 1.00 0.00 C ATOM 116 OH TYR A 8 83.038 -21.088 -40.158 1.00 0.00 O ATOM 0 H TYR A 8 81.557 -17.591 -44.795 1.00 0.00 H new ATOM 0 HA TYR A 8 79.692 -19.146 -46.455 1.00 0.00 H new ATOM 0 HB2 TYR A 8 80.557 -21.244 -45.783 1.00 0.00 H new ATOM 0 HB3 TYR A 8 82.002 -20.331 -46.172 1.00 0.00 H new ATOM 0 HD1 TYR A 8 83.460 -19.438 -44.386 1.00 0.00 H new ATOM 0 HD2 TYR A 8 79.959 -21.746 -43.454 1.00 0.00 H new ATOM 0 HE1 TYR A 8 84.280 -19.745 -42.066 1.00 0.00 H new ATOM 0 HE2 TYR A 8 80.780 -22.053 -41.134 1.00 0.00 H new ATOM 0 HH TYR A 8 82.701 -21.937 -39.802 1.00 0.00 H new ATOM 126 N GLU A 9 78.138 -18.860 -44.557 1.00 0.00 N ATOM 127 CA GLU A 9 77.199 -18.655 -43.459 1.00 0.00 C ATOM 128 C GLU A 9 77.128 -19.893 -42.572 1.00 0.00 C ATOM 129 O GLU A 9 77.832 -19.990 -41.567 1.00 0.00 O ATOM 130 CB GLU A 9 75.808 -18.340 -44.014 1.00 0.00 C ATOM 131 CG GLU A 9 75.889 -17.119 -44.932 1.00 0.00 C ATOM 132 CD GLU A 9 74.493 -16.733 -45.410 1.00 0.00 C ATOM 133 OE1 GLU A 9 73.570 -17.487 -45.149 1.00 0.00 O ATOM 134 OE2 GLU A 9 74.368 -15.690 -46.029 1.00 0.00 O ATOM 0 H GLU A 9 77.709 -18.897 -45.482 1.00 0.00 H new ATOM 0 HA GLU A 9 77.550 -17.815 -42.859 1.00 0.00 H new ATOM 0 HB2 GLU A 9 75.422 -19.198 -44.565 1.00 0.00 H new ATOM 0 HB3 GLU A 9 75.114 -18.148 -43.196 1.00 0.00 H new ATOM 0 HG2 GLU A 9 76.344 -16.283 -44.400 1.00 0.00 H new ATOM 0 HG3 GLU A 9 76.528 -17.339 -45.788 1.00 0.00 H new ATOM 141 N ASN A 10 76.270 -20.837 -42.949 1.00 0.00 N ATOM 142 CA ASN A 10 76.044 -22.021 -42.128 1.00 0.00 C ATOM 143 C ASN A 10 75.479 -21.624 -40.769 1.00 0.00 C ATOM 144 O ASN A 10 74.395 -22.062 -40.383 1.00 0.00 O ATOM 145 CB ASN A 10 77.357 -22.781 -41.934 1.00 0.00 C ATOM 146 CG ASN A 10 77.812 -23.382 -43.259 1.00 0.00 C ATOM 147 OD1 ASN A 10 77.057 -23.389 -44.231 1.00 0.00 O ATOM 148 ND2 ASN A 10 79.010 -23.891 -43.357 1.00 0.00 N ATOM 0 H ASN A 10 75.724 -20.806 -43.810 1.00 0.00 H new ATOM 0 HA ASN A 10 75.326 -22.664 -42.637 1.00 0.00 H new ATOM 0 HB2 ASN A 10 78.123 -22.108 -41.548 1.00 0.00 H new ATOM 0 HB3 ASN A 10 77.224 -23.570 -41.194 1.00 0.00 H new ATOM 0 HD21 ASN A 10 79.322 -24.295 -44.240 1.00 0.00 H new ATOM 0 HD22 ASN A 10 79.634 -23.884 -42.551 1.00 0.00 H new ATOM 155 N TYR A 11 76.221 -20.789 -40.049 1.00 0.00 N ATOM 156 CA TYR A 11 75.738 -20.242 -38.787 1.00 0.00 C ATOM 157 C TYR A 11 75.722 -18.718 -38.840 1.00 0.00 C ATOM 158 O TYR A 11 76.767 -18.072 -38.760 1.00 0.00 O ATOM 159 CB TYR A 11 76.633 -20.709 -37.637 1.00 0.00 C ATOM 160 CG TYR A 11 78.033 -20.179 -37.840 1.00 0.00 C ATOM 161 CD1 TYR A 11 78.391 -18.931 -37.320 1.00 0.00 C ATOM 162 CD2 TYR A 11 78.972 -20.939 -38.548 1.00 0.00 C ATOM 163 CE1 TYR A 11 79.689 -18.441 -37.508 1.00 0.00 C ATOM 164 CE2 TYR A 11 80.270 -20.448 -38.736 1.00 0.00 C ATOM 165 CZ TYR A 11 80.628 -19.199 -38.215 1.00 0.00 C ATOM 166 OH TYR A 11 81.908 -18.716 -38.400 1.00 0.00 O ATOM 0 H TYR A 11 77.155 -20.478 -40.316 1.00 0.00 H new ATOM 0 HA TYR A 11 74.722 -20.600 -38.620 1.00 0.00 H new ATOM 0 HB2 TYR A 11 76.234 -20.357 -36.686 1.00 0.00 H new ATOM 0 HB3 TYR A 11 76.648 -21.798 -37.593 1.00 0.00 H new ATOM 0 HD1 TYR A 11 77.666 -18.345 -36.774 1.00 0.00 H new ATOM 0 HD2 TYR A 11 78.696 -21.903 -38.949 1.00 0.00 H new ATOM 0 HE1 TYR A 11 79.965 -17.477 -37.107 1.00 0.00 H new ATOM 0 HE2 TYR A 11 80.995 -21.033 -39.283 1.00 0.00 H new ATOM 0 HH TYR A 11 82.004 -17.858 -37.936 1.00 0.00 H new ATOM 176 N PRO A 12 74.559 -18.143 -38.977 1.00 0.00 N ATOM 177 CA PRO A 12 74.392 -16.670 -39.101 1.00 0.00 C ATOM 178 C PRO A 12 75.154 -15.906 -38.022 1.00 0.00 C ATOM 179 O PRO A 12 75.899 -16.493 -37.237 1.00 0.00 O ATOM 180 CB PRO A 12 72.852 -16.437 -38.989 1.00 0.00 C ATOM 181 CG PRO A 12 72.260 -17.747 -39.406 1.00 0.00 C ATOM 182 CD PRO A 12 73.266 -18.841 -39.028 1.00 0.00 C ATOM 0 HA PRO A 12 74.800 -16.299 -40.041 1.00 0.00 H new ATOM 0 HB2 PRO A 12 72.561 -16.172 -37.973 1.00 0.00 H new ATOM 0 HB3 PRO A 12 72.522 -15.625 -39.637 1.00 0.00 H new ATOM 0 HG2 PRO A 12 71.305 -17.914 -38.907 1.00 0.00 H new ATOM 0 HG3 PRO A 12 72.066 -17.757 -40.478 1.00 0.00 H new ATOM 0 HD2 PRO A 12 73.020 -19.293 -38.067 1.00 0.00 H new ATOM 0 HD3 PRO A 12 73.276 -19.644 -39.765 1.00 0.00 H new ATOM 190 N VAL A 13 74.958 -14.591 -37.989 1.00 0.00 N ATOM 191 CA VAL A 13 75.671 -13.744 -37.039 1.00 0.00 C ATOM 192 C VAL A 13 75.564 -14.315 -35.629 1.00 0.00 C ATOM 193 O VAL A 13 76.242 -13.855 -34.710 1.00 0.00 O ATOM 194 CB VAL A 13 75.089 -12.331 -37.065 1.00 0.00 C ATOM 195 CG1 VAL A 13 74.592 -12.009 -38.475 1.00 0.00 C ATOM 196 CG2 VAL A 13 73.921 -12.240 -36.081 1.00 0.00 C ATOM 0 H VAL A 13 74.316 -14.092 -38.605 1.00 0.00 H new ATOM 0 HA VAL A 13 76.722 -13.710 -37.326 1.00 0.00 H new ATOM 0 HB VAL A 13 75.861 -11.617 -36.779 1.00 0.00 H new ATOM 0 HG11 VAL A 13 74.177 -11.001 -38.493 1.00 0.00 H new ATOM 0 HG12 VAL A 13 75.423 -12.072 -39.177 1.00 0.00 H new ATOM 0 HG13 VAL A 13 73.821 -12.724 -38.761 1.00 0.00 H new ATOM 0 HG21 VAL A 13 73.507 -11.232 -36.100 1.00 0.00 H new ATOM 0 HG22 VAL A 13 73.149 -12.955 -36.365 1.00 0.00 H new ATOM 0 HG23 VAL A 13 74.274 -12.468 -35.075 1.00 0.00 H new ATOM 206 N SER A 14 74.710 -15.320 -35.465 1.00 0.00 N ATOM 207 CA SER A 14 74.489 -15.916 -34.153 1.00 0.00 C ATOM 208 C SER A 14 75.808 -16.054 -33.400 1.00 0.00 C ATOM 209 O SER A 14 75.932 -15.607 -32.260 1.00 0.00 O ATOM 210 CB SER A 14 73.839 -17.291 -34.307 1.00 0.00 C ATOM 211 OG SER A 14 73.421 -17.759 -33.032 1.00 0.00 O ATOM 0 H SER A 14 74.163 -15.736 -36.219 1.00 0.00 H new ATOM 0 HA SER A 14 73.826 -15.264 -33.584 1.00 0.00 H new ATOM 0 HB2 SER A 14 72.985 -17.229 -34.982 1.00 0.00 H new ATOM 0 HB3 SER A 14 74.546 -17.992 -34.751 1.00 0.00 H new ATOM 0 HG SER A 14 73.002 -18.640 -33.128 1.00 0.00 H new ATOM 217 N LYS A 15 76.789 -16.677 -34.044 1.00 0.00 N ATOM 218 CA LYS A 15 78.090 -16.882 -33.418 1.00 0.00 C ATOM 219 C LYS A 15 78.948 -15.629 -33.549 1.00 0.00 C ATOM 220 O LYS A 15 79.698 -15.281 -32.636 1.00 0.00 O ATOM 221 CB LYS A 15 78.806 -18.064 -34.076 1.00 0.00 C ATOM 222 CG LYS A 15 77.948 -19.323 -33.939 1.00 0.00 C ATOM 223 CD LYS A 15 78.771 -20.548 -34.344 1.00 0.00 C ATOM 224 CE LYS A 15 77.878 -21.791 -34.328 1.00 0.00 C ATOM 225 NZ LYS A 15 77.566 -22.159 -32.917 1.00 0.00 N ATOM 0 H LYS A 15 76.710 -17.046 -34.992 1.00 0.00 H new ATOM 0 HA LYS A 15 77.935 -17.095 -32.360 1.00 0.00 H new ATOM 0 HB2 LYS A 15 78.991 -17.850 -35.129 1.00 0.00 H new ATOM 0 HB3 LYS A 15 79.777 -18.221 -33.607 1.00 0.00 H new ATOM 0 HG2 LYS A 15 77.600 -19.429 -32.911 1.00 0.00 H new ATOM 0 HG3 LYS A 15 77.062 -19.242 -34.569 1.00 0.00 H new ATOM 0 HD2 LYS A 15 79.193 -20.403 -35.338 1.00 0.00 H new ATOM 0 HD3 LYS A 15 79.608 -20.680 -33.659 1.00 0.00 H new ATOM 0 HE2 LYS A 15 76.957 -21.597 -34.877 1.00 0.00 H new ATOM 0 HE3 LYS A 15 78.380 -22.619 -34.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 77.106 -23.091 -32.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 78.447 -22.195 -32.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 76.928 -21.448 -32.506 1.00 0.00 H new ATOM 239 N CYS A 16 78.833 -14.956 -34.689 1.00 0.00 N ATOM 240 CA CYS A 16 79.642 -13.771 -34.950 1.00 0.00 C ATOM 241 C CYS A 16 79.598 -12.818 -33.760 1.00 0.00 C ATOM 242 O CYS A 16 80.356 -11.849 -33.701 1.00 0.00 O ATOM 243 CB CYS A 16 79.129 -13.054 -36.201 1.00 0.00 C ATOM 244 SG CYS A 16 80.183 -11.625 -36.552 1.00 0.00 S ATOM 0 H CYS A 16 78.193 -15.208 -35.442 1.00 0.00 H new ATOM 0 HA CYS A 16 80.673 -14.086 -35.109 1.00 0.00 H new ATOM 0 HB2 CYS A 16 79.129 -13.737 -37.050 1.00 0.00 H new ATOM 0 HB3 CYS A 16 78.099 -12.731 -36.052 1.00 0.00 H new ATOM 249 N GLN A 17 78.706 -13.099 -32.815 1.00 0.00 N ATOM 250 CA GLN A 17 78.583 -12.265 -31.625 1.00 0.00 C ATOM 251 C GLN A 17 79.903 -12.226 -30.862 1.00 0.00 C ATOM 252 O GLN A 17 80.084 -11.411 -29.957 1.00 0.00 O ATOM 253 CB GLN A 17 77.481 -12.813 -30.715 1.00 0.00 C ATOM 254 CG GLN A 17 76.118 -12.584 -31.369 1.00 0.00 C ATOM 255 CD GLN A 17 75.102 -13.579 -30.819 1.00 0.00 C ATOM 256 OE1 GLN A 17 75.202 -13.995 -29.664 1.00 0.00 O ATOM 257 NE2 GLN A 17 74.123 -13.988 -31.579 1.00 0.00 N ATOM 0 H GLN A 17 78.063 -13.890 -32.849 1.00 0.00 H new ATOM 0 HA GLN A 17 78.326 -11.253 -31.937 1.00 0.00 H new ATOM 0 HB2 GLN A 17 77.637 -13.877 -30.538 1.00 0.00 H new ATOM 0 HB3 GLN A 17 77.518 -12.319 -29.744 1.00 0.00 H new ATOM 0 HG2 GLN A 17 75.781 -11.565 -31.179 1.00 0.00 H new ATOM 0 HG3 GLN A 17 76.201 -12.696 -32.450 1.00 0.00 H new ATOM 0 HE21 GLN A 17 74.041 -13.643 -32.535 1.00 0.00 H new ATOM 0 HE22 GLN A 17 73.440 -14.653 -31.217 1.00 0.00 H new ATOM 266 N LEU A 18 80.821 -13.110 -31.235 1.00 0.00 N ATOM 267 CA LEU A 18 82.138 -13.142 -30.607 1.00 0.00 C ATOM 268 C LEU A 18 83.231 -13.262 -31.664 1.00 0.00 C ATOM 269 O LEU A 18 83.392 -14.311 -32.288 1.00 0.00 O ATOM 270 CB LEU A 18 82.229 -14.325 -29.643 1.00 0.00 C ATOM 271 CG LEU A 18 81.399 -14.031 -28.392 1.00 0.00 C ATOM 272 CD1 LEU A 18 80.869 -15.342 -27.809 1.00 0.00 C ATOM 273 CD2 LEU A 18 82.277 -13.330 -27.352 1.00 0.00 C ATOM 0 H LEU A 18 80.680 -13.810 -31.964 1.00 0.00 H new ATOM 0 HA LEU A 18 82.279 -12.212 -30.056 1.00 0.00 H new ATOM 0 HB2 LEU A 18 81.866 -15.231 -30.128 1.00 0.00 H new ATOM 0 HB3 LEU A 18 83.268 -14.505 -29.368 1.00 0.00 H new ATOM 0 HG LEU A 18 80.561 -13.387 -28.656 1.00 0.00 H new ATOM 0 HD11 LEU A 18 80.278 -15.131 -26.918 1.00 0.00 H new ATOM 0 HD12 LEU A 18 80.244 -15.843 -28.549 1.00 0.00 H new ATOM 0 HD13 LEU A 18 81.707 -15.987 -27.545 1.00 0.00 H new ATOM 0 HD21 LEU A 18 81.687 -13.120 -26.460 1.00 0.00 H new ATOM 0 HD22 LEU A 18 83.115 -13.975 -27.089 1.00 0.00 H new ATOM 0 HD23 LEU A 18 82.655 -12.395 -27.766 1.00 0.00 H new ATOM 285 N ALA A 19 83.981 -12.182 -31.858 1.00 0.00 N ATOM 286 CA ALA A 19 85.031 -12.168 -32.871 1.00 0.00 C ATOM 287 C ALA A 19 85.942 -13.381 -32.712 1.00 0.00 C ATOM 288 O ALA A 19 86.720 -13.708 -33.609 1.00 0.00 O ATOM 289 CB ALA A 19 85.858 -10.887 -32.749 1.00 0.00 C ATOM 0 H ALA A 19 83.883 -11.313 -31.333 1.00 0.00 H new ATOM 0 HA ALA A 19 84.563 -12.205 -33.855 1.00 0.00 H new ATOM 0 HB1 ALA A 19 86.640 -10.885 -33.509 1.00 0.00 H new ATOM 0 HB2 ALA A 19 85.211 -10.021 -32.891 1.00 0.00 H new ATOM 0 HB3 ALA A 19 86.314 -10.841 -31.760 1.00 0.00 H new ATOM 295 N ASN A 20 85.840 -14.046 -31.565 1.00 0.00 N ATOM 296 CA ASN A 20 86.667 -15.216 -31.295 1.00 0.00 C ATOM 297 C ASN A 20 86.010 -16.477 -31.848 1.00 0.00 C ATOM 298 O ASN A 20 86.661 -17.512 -32.001 1.00 0.00 O ATOM 299 CB ASN A 20 86.881 -15.368 -29.788 1.00 0.00 C ATOM 300 CG ASN A 20 87.363 -14.048 -29.193 1.00 0.00 C ATOM 301 OD1 ASN A 20 88.192 -13.363 -29.791 1.00 0.00 O ATOM 302 ND2 ASN A 20 86.888 -13.650 -28.045 1.00 0.00 N ATOM 0 H ASN A 20 85.198 -13.797 -30.813 1.00 0.00 H new ATOM 0 HA ASN A 20 87.630 -15.077 -31.786 1.00 0.00 H new ATOM 0 HB2 ASN A 20 85.951 -15.674 -29.309 1.00 0.00 H new ATOM 0 HB3 ASN A 20 87.612 -16.152 -29.594 1.00 0.00 H new ATOM 0 HD21 ASN A 20 87.204 -12.768 -27.640 1.00 0.00 H new ATOM 0 HD22 ASN A 20 86.201 -14.220 -27.552 1.00 0.00 H new ATOM 309 N GLN A 21 84.719 -16.384 -32.145 1.00 0.00 N ATOM 310 CA GLN A 21 83.976 -17.534 -32.648 1.00 0.00 C ATOM 311 C GLN A 21 84.263 -17.750 -34.131 1.00 0.00 C ATOM 312 O GLN A 21 84.540 -18.869 -34.563 1.00 0.00 O ATOM 313 CB GLN A 21 82.475 -17.319 -32.442 1.00 0.00 C ATOM 314 CG GLN A 21 81.827 -18.635 -32.004 1.00 0.00 C ATOM 315 CD GLN A 21 81.932 -19.666 -33.123 1.00 0.00 C ATOM 316 OE1 GLN A 21 81.899 -19.310 -34.301 1.00 0.00 O ATOM 317 NE2 GLN A 21 82.059 -20.929 -32.822 1.00 0.00 N ATOM 0 H GLN A 21 84.168 -15.531 -32.047 1.00 0.00 H new ATOM 0 HA GLN A 21 84.294 -18.418 -32.095 1.00 0.00 H new ATOM 0 HB2 GLN A 21 82.307 -16.550 -31.688 1.00 0.00 H new ATOM 0 HB3 GLN A 21 82.017 -16.965 -33.366 1.00 0.00 H new ATOM 0 HG2 GLN A 21 82.317 -19.010 -31.106 1.00 0.00 H new ATOM 0 HG3 GLN A 21 80.780 -18.468 -31.750 1.00 0.00 H new ATOM 0 HE21 GLN A 21 82.086 -21.220 -31.845 1.00 0.00 H new ATOM 0 HE22 GLN A 21 82.131 -21.625 -33.564 1.00 0.00 H new ATOM 326 N CYS A 22 84.194 -16.671 -34.904 1.00 0.00 N ATOM 327 CA CYS A 22 84.429 -16.758 -36.341 1.00 0.00 C ATOM 328 C CYS A 22 85.724 -17.512 -36.627 1.00 0.00 C ATOM 329 O CYS A 22 85.714 -18.565 -37.265 1.00 0.00 O ATOM 330 CB CYS A 22 84.509 -15.354 -36.944 1.00 0.00 C ATOM 331 SG CYS A 22 82.843 -14.660 -37.083 1.00 0.00 S ATOM 0 H CYS A 22 83.979 -15.734 -34.564 1.00 0.00 H new ATOM 0 HA CYS A 22 83.599 -17.300 -36.794 1.00 0.00 H new ATOM 0 HB2 CYS A 22 85.130 -14.713 -36.319 1.00 0.00 H new ATOM 0 HB3 CYS A 22 84.980 -15.395 -37.926 1.00 0.00 H new ATOM 336 N ASN A 23 86.838 -16.965 -36.151 1.00 0.00 N ATOM 337 CA ASN A 23 88.137 -17.594 -36.362 1.00 0.00 C ATOM 338 C ASN A 23 88.062 -19.090 -36.076 1.00 0.00 C ATOM 339 O ASN A 23 88.508 -19.909 -36.879 1.00 0.00 O ATOM 340 CB ASN A 23 89.183 -16.951 -35.450 1.00 0.00 C ATOM 341 CG ASN A 23 88.840 -15.483 -35.217 1.00 0.00 C ATOM 342 OD1 ASN A 23 88.090 -14.890 -35.991 1.00 0.00 O ATOM 343 ND2 ASN A 23 89.346 -14.860 -34.188 1.00 0.00 N ATOM 0 H ASN A 23 86.868 -16.094 -35.621 1.00 0.00 H new ATOM 0 HA ASN A 23 88.424 -17.449 -37.403 1.00 0.00 H new ATOM 0 HB2 ASN A 23 89.221 -17.480 -34.498 1.00 0.00 H new ATOM 0 HB3 ASN A 23 90.172 -17.035 -35.901 1.00 0.00 H new ATOM 0 HD21 ASN A 23 89.120 -13.879 -34.024 1.00 0.00 H new ATOM 0 HD22 ASN A 23 89.968 -15.354 -33.548 1.00 0.00 H new ATOM 350 N TYR A 24 87.495 -19.440 -34.926 1.00 0.00 N ATOM 351 CA TYR A 24 87.348 -20.842 -34.552 1.00 0.00 C ATOM 352 C TYR A 24 86.652 -21.623 -35.663 1.00 0.00 C ATOM 353 O TYR A 24 87.212 -22.573 -36.211 1.00 0.00 O ATOM 354 CB TYR A 24 86.537 -20.956 -33.259 1.00 0.00 C ATOM 355 CG TYR A 24 87.475 -20.958 -32.076 1.00 0.00 C ATOM 356 CD1 TYR A 24 88.332 -19.873 -31.859 1.00 0.00 C ATOM 357 CD2 TYR A 24 87.488 -22.047 -31.196 1.00 0.00 C ATOM 358 CE1 TYR A 24 89.202 -19.876 -30.762 1.00 0.00 C ATOM 359 CE2 TYR A 24 88.358 -22.050 -30.099 1.00 0.00 C ATOM 360 CZ TYR A 24 89.215 -20.964 -29.881 1.00 0.00 C ATOM 361 OH TYR A 24 90.072 -20.967 -28.801 1.00 0.00 O ATOM 0 H TYR A 24 87.132 -18.777 -34.241 1.00 0.00 H new ATOM 0 HA TYR A 24 88.341 -21.263 -34.395 1.00 0.00 H new ATOM 0 HB2 TYR A 24 85.838 -20.124 -33.181 1.00 0.00 H new ATOM 0 HB3 TYR A 24 85.944 -21.871 -33.268 1.00 0.00 H new ATOM 0 HD1 TYR A 24 88.322 -19.033 -32.538 1.00 0.00 H new ATOM 0 HD2 TYR A 24 86.827 -22.885 -31.363 1.00 0.00 H new ATOM 0 HE1 TYR A 24 89.863 -19.039 -30.595 1.00 0.00 H new ATOM 0 HE2 TYR A 24 88.368 -22.890 -29.421 1.00 0.00 H new ATOM 0 HH TYR A 24 89.953 -21.795 -28.291 1.00 0.00 H new ATOM 371 N ASP A 25 85.428 -21.219 -35.988 1.00 0.00 N ATOM 372 CA ASP A 25 84.671 -21.881 -37.044 1.00 0.00 C ATOM 373 C ASP A 25 85.371 -21.720 -38.390 1.00 0.00 C ATOM 374 O ASP A 25 85.473 -22.669 -39.166 1.00 0.00 O ATOM 375 CB ASP A 25 83.263 -21.290 -37.126 1.00 0.00 C ATOM 376 CG ASP A 25 82.500 -21.579 -35.837 1.00 0.00 C ATOM 377 OD1 ASP A 25 83.047 -22.264 -34.990 1.00 0.00 O ATOM 378 OD2 ASP A 25 81.380 -21.110 -35.718 1.00 0.00 O ATOM 0 H ASP A 25 84.942 -20.442 -35.539 1.00 0.00 H new ATOM 0 HA ASP A 25 84.607 -22.943 -36.806 1.00 0.00 H new ATOM 0 HB2 ASP A 25 83.320 -20.214 -37.291 1.00 0.00 H new ATOM 0 HB3 ASP A 25 82.730 -21.715 -37.977 1.00 0.00 H new ATOM 383 N CYS A 26 85.853 -20.510 -38.659 1.00 0.00 N ATOM 384 CA CYS A 26 86.542 -20.236 -39.915 1.00 0.00 C ATOM 385 C CYS A 26 87.808 -21.080 -40.028 1.00 0.00 C ATOM 386 O CYS A 26 88.202 -21.481 -41.123 1.00 0.00 O ATOM 387 CB CYS A 26 86.907 -18.753 -39.997 1.00 0.00 C ATOM 388 SG CYS A 26 86.223 -18.048 -41.518 1.00 0.00 S ATOM 0 H CYS A 26 85.780 -19.710 -38.030 1.00 0.00 H new ATOM 0 HA CYS A 26 85.874 -20.492 -40.737 1.00 0.00 H new ATOM 0 HB2 CYS A 26 86.515 -18.222 -39.129 1.00 0.00 H new ATOM 0 HB3 CYS A 26 87.990 -18.632 -39.982 1.00 0.00 H new ATOM 393 N LYS A 27 88.440 -21.348 -38.890 1.00 0.00 N ATOM 394 CA LYS A 27 89.659 -22.148 -38.875 1.00 0.00 C ATOM 395 C LYS A 27 89.323 -23.634 -38.929 1.00 0.00 C ATOM 396 O LYS A 27 90.036 -24.419 -39.554 1.00 0.00 O ATOM 397 CB LYS A 27 90.464 -21.849 -37.609 1.00 0.00 C ATOM 398 CG LYS A 27 91.071 -20.448 -37.708 1.00 0.00 C ATOM 399 CD LYS A 27 91.352 -19.911 -36.304 1.00 0.00 C ATOM 400 CE LYS A 27 92.478 -20.721 -35.662 1.00 0.00 C ATOM 401 NZ LYS A 27 92.900 -20.068 -34.390 1.00 0.00 N ATOM 0 H LYS A 27 88.131 -21.026 -37.973 1.00 0.00 H new ATOM 0 HA LYS A 27 90.253 -21.889 -39.751 1.00 0.00 H new ATOM 0 HB2 LYS A 27 89.820 -21.917 -36.732 1.00 0.00 H new ATOM 0 HB3 LYS A 27 91.253 -22.591 -37.484 1.00 0.00 H new ATOM 0 HG2 LYS A 27 91.994 -20.480 -38.287 1.00 0.00 H new ATOM 0 HG3 LYS A 27 90.388 -19.781 -38.234 1.00 0.00 H new ATOM 0 HD2 LYS A 27 91.631 -18.859 -36.355 1.00 0.00 H new ATOM 0 HD3 LYS A 27 90.452 -19.973 -35.693 1.00 0.00 H new ATOM 0 HE2 LYS A 27 92.141 -21.739 -35.466 1.00 0.00 H new ATOM 0 HE3 LYS A 27 93.325 -20.791 -36.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 93.666 -20.620 -33.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 93.237 -19.105 -34.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 92.091 -20.023 -33.738 1.00 0.00 H new ATOM 415 N LEU A 28 88.234 -24.015 -38.268 1.00 0.00 N ATOM 416 CA LEU A 28 87.825 -25.414 -38.230 1.00 0.00 C ATOM 417 C LEU A 28 87.014 -25.768 -39.472 1.00 0.00 C ATOM 418 O LEU A 28 86.952 -26.930 -39.875 1.00 0.00 O ATOM 419 CB LEU A 28 86.988 -25.678 -36.978 1.00 0.00 C ATOM 420 CG LEU A 28 87.810 -25.335 -35.734 1.00 0.00 C ATOM 421 CD1 LEU A 28 86.868 -25.029 -34.567 1.00 0.00 C ATOM 422 CD2 LEU A 28 88.701 -26.524 -35.370 1.00 0.00 C ATOM 0 H LEU A 28 87.623 -23.379 -37.755 1.00 0.00 H new ATOM 0 HA LEU A 28 88.720 -26.036 -38.206 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.078 -25.078 -37.003 1.00 0.00 H new ATOM 0 HB3 LEU A 28 86.680 -26.723 -36.947 1.00 0.00 H new ATOM 0 HG LEU A 28 88.431 -24.463 -35.938 1.00 0.00 H new ATOM 0 HD11 LEU A 28 87.454 -24.785 -33.681 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.231 -24.183 -34.826 1.00 0.00 H new ATOM 0 HD13 LEU A 28 86.247 -25.901 -34.362 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.287 -26.281 -34.484 1.00 0.00 H new ATOM 0 HD22 LEU A 28 88.079 -27.396 -35.166 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.372 -26.743 -36.200 1.00 0.00 H new ATOM 434 N ASP A 29 86.394 -24.759 -40.077 1.00 0.00 N ATOM 435 CA ASP A 29 85.535 -24.986 -41.233 1.00 0.00 C ATOM 436 C ASP A 29 86.343 -24.902 -42.524 1.00 0.00 C ATOM 437 O ASP A 29 86.433 -25.873 -43.275 1.00 0.00 O ATOM 438 CB ASP A 29 84.414 -23.945 -41.263 1.00 0.00 C ATOM 439 CG ASP A 29 83.512 -24.115 -40.045 1.00 0.00 C ATOM 440 OD1 ASP A 29 83.792 -24.990 -39.243 1.00 0.00 O ATOM 441 OD2 ASP A 29 82.555 -23.366 -39.932 1.00 0.00 O ATOM 0 H ASP A 29 86.470 -23.784 -39.788 1.00 0.00 H new ATOM 0 HA ASP A 29 85.103 -25.983 -41.151 1.00 0.00 H new ATOM 0 HB2 ASP A 29 84.839 -22.941 -41.274 1.00 0.00 H new ATOM 0 HB3 ASP A 29 83.830 -24.054 -42.177 1.00 0.00 H new ATOM 446 N LYS A 30 86.929 -23.735 -42.774 1.00 0.00 N ATOM 447 CA LYS A 30 87.661 -23.511 -44.016 1.00 0.00 C ATOM 448 C LYS A 30 89.151 -23.348 -43.736 1.00 0.00 C ATOM 449 O LYS A 30 89.955 -23.211 -44.659 1.00 0.00 O ATOM 450 CB LYS A 30 87.129 -22.258 -44.715 1.00 0.00 C ATOM 451 CG LYS A 30 85.606 -22.204 -44.580 1.00 0.00 C ATOM 452 CD LYS A 30 84.985 -23.402 -45.303 1.00 0.00 C ATOM 453 CE LYS A 30 83.464 -23.238 -45.351 1.00 0.00 C ATOM 454 NZ LYS A 30 82.844 -24.503 -45.835 1.00 0.00 N ATOM 0 H LYS A 30 86.912 -22.937 -42.140 1.00 0.00 H new ATOM 0 HA LYS A 30 87.518 -24.376 -44.664 1.00 0.00 H new ATOM 0 HB2 LYS A 30 87.575 -21.366 -44.275 1.00 0.00 H new ATOM 0 HB3 LYS A 30 87.411 -22.269 -45.768 1.00 0.00 H new ATOM 0 HG2 LYS A 30 85.323 -22.215 -43.527 1.00 0.00 H new ATOM 0 HG3 LYS A 30 85.226 -21.274 -45.003 1.00 0.00 H new ATOM 0 HD2 LYS A 30 85.385 -23.477 -46.314 1.00 0.00 H new ATOM 0 HD3 LYS A 30 85.246 -24.326 -44.787 1.00 0.00 H new ATOM 0 HE2 LYS A 30 83.083 -22.989 -44.361 1.00 0.00 H new ATOM 0 HE3 LYS A 30 83.197 -22.413 -46.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 81.810 -24.393 -45.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 83.199 -24.722 -46.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 83.089 -25.279 -45.188 1.00 0.00 H new ATOM 468 N HIS A 31 89.513 -23.364 -42.458 1.00 0.00 N ATOM 469 CA HIS A 31 90.911 -23.226 -42.067 1.00 0.00 C ATOM 470 C HIS A 31 91.425 -21.827 -42.390 1.00 0.00 C ATOM 471 O HIS A 31 92.367 -21.666 -43.164 1.00 0.00 O ATOM 472 CB HIS A 31 91.763 -24.265 -42.798 1.00 0.00 C ATOM 473 CG HIS A 31 91.033 -25.579 -42.831 1.00 0.00 C ATOM 474 ND1 HIS A 31 91.153 -26.517 -41.818 1.00 0.00 N ATOM 475 CD2 HIS A 31 90.172 -26.127 -43.749 1.00 0.00 C ATOM 476 CE1 HIS A 31 90.383 -27.571 -42.147 1.00 0.00 C ATOM 477 NE2 HIS A 31 89.763 -27.385 -43.315 1.00 0.00 N ATOM 0 H HIS A 31 88.863 -23.470 -41.680 1.00 0.00 H new ATOM 0 HA HIS A 31 90.984 -23.387 -40.991 1.00 0.00 H new ATOM 0 HB2 HIS A 31 91.974 -23.929 -43.813 1.00 0.00 H new ATOM 0 HB3 HIS A 31 92.723 -24.383 -42.295 1.00 0.00 H new ATOM 0 HD2 HIS A 31 89.859 -25.654 -44.668 1.00 0.00 H new ATOM 0 HE1 HIS A 31 90.279 -28.459 -41.540 1.00 0.00 H new ATOM 0 HE2 HIS A 31 89.126 -28.027 -43.788 1.00 0.00 H new ATOM 485 N ALA A 32 90.799 -20.818 -41.791 1.00 0.00 N ATOM 486 CA ALA A 32 91.209 -19.437 -42.018 1.00 0.00 C ATOM 487 C ALA A 32 92.316 -19.041 -41.047 1.00 0.00 C ATOM 488 O ALA A 32 92.871 -19.885 -40.344 1.00 0.00 O ATOM 489 CB ALA A 32 90.012 -18.502 -41.839 1.00 0.00 C ATOM 0 H ALA A 32 90.013 -20.929 -41.150 1.00 0.00 H new ATOM 0 HA ALA A 32 91.587 -19.352 -43.037 1.00 0.00 H new ATOM 0 HB1 ALA A 32 90.326 -17.472 -42.010 1.00 0.00 H new ATOM 0 HB2 ALA A 32 89.233 -18.767 -42.554 1.00 0.00 H new ATOM 0 HB3 ALA A 32 89.623 -18.599 -40.825 1.00 0.00 H new ATOM 495 N ARG A 33 92.633 -17.751 -41.015 1.00 0.00 N ATOM 496 CA ARG A 33 93.681 -17.253 -40.131 1.00 0.00 C ATOM 497 C ARG A 33 93.109 -16.257 -39.128 1.00 0.00 C ATOM 498 O ARG A 33 93.516 -16.227 -37.967 1.00 0.00 O ATOM 499 CB ARG A 33 94.780 -16.578 -40.954 1.00 0.00 C ATOM 500 CG ARG A 33 95.377 -17.588 -41.936 1.00 0.00 C ATOM 501 CD ARG A 33 96.528 -16.936 -42.702 1.00 0.00 C ATOM 502 NE ARG A 33 96.895 -17.753 -43.853 1.00 0.00 N ATOM 503 CZ ARG A 33 97.584 -18.880 -43.704 1.00 0.00 C ATOM 504 NH1 ARG A 33 97.945 -19.271 -42.512 1.00 0.00 N ATOM 505 NH2 ARG A 33 97.899 -19.594 -44.748 1.00 0.00 N ATOM 0 H ARG A 33 92.183 -17.036 -41.586 1.00 0.00 H new ATOM 0 HA ARG A 33 94.102 -18.098 -39.586 1.00 0.00 H new ATOM 0 HB2 ARG A 33 94.371 -15.726 -41.497 1.00 0.00 H new ATOM 0 HB3 ARG A 33 95.558 -16.193 -40.295 1.00 0.00 H new ATOM 0 HG2 ARG A 33 95.735 -18.466 -41.398 1.00 0.00 H new ATOM 0 HG3 ARG A 33 94.611 -17.931 -42.632 1.00 0.00 H new ATOM 0 HD2 ARG A 33 96.236 -15.939 -43.033 1.00 0.00 H new ATOM 0 HD3 ARG A 33 97.389 -16.814 -42.045 1.00 0.00 H new ATOM 0 HE ARG A 33 96.618 -17.455 -44.788 1.00 0.00 H new ATOM 0 HH11 ARG A 33 97.698 -18.712 -41.695 1.00 0.00 H new ATOM 0 HH12 ARG A 33 98.474 -20.136 -42.397 1.00 0.00 H new ATOM 0 HH21 ARG A 33 97.617 -19.288 -45.679 1.00 0.00 H new ATOM 0 HH22 ARG A 33 98.428 -20.459 -44.634 1.00 0.00 H new ATOM 519 N SER A 34 92.162 -15.443 -39.584 1.00 0.00 N ATOM 520 CA SER A 34 91.578 -14.414 -38.732 1.00 0.00 C ATOM 521 C SER A 34 90.063 -14.573 -38.658 1.00 0.00 C ATOM 522 O SER A 34 89.420 -14.064 -37.741 1.00 0.00 O ATOM 523 CB SER A 34 91.921 -13.028 -39.278 1.00 0.00 C ATOM 524 OG SER A 34 90.966 -12.663 -40.266 1.00 0.00 O ATOM 0 H SER A 34 91.785 -15.475 -40.531 1.00 0.00 H new ATOM 0 HA SER A 34 91.992 -14.523 -37.729 1.00 0.00 H new ATOM 0 HB2 SER A 34 91.923 -12.296 -38.470 1.00 0.00 H new ATOM 0 HB3 SER A 34 92.923 -13.031 -39.708 1.00 0.00 H new ATOM 0 HG SER A 34 91.182 -11.774 -40.617 1.00 0.00 H new ATOM 530 N GLY A 35 89.500 -15.282 -39.631 1.00 0.00 N ATOM 531 CA GLY A 35 88.055 -15.478 -39.681 1.00 0.00 C ATOM 532 C GLY A 35 87.322 -14.234 -39.192 1.00 0.00 C ATOM 533 O GLY A 35 86.685 -14.251 -38.139 1.00 0.00 O ATOM 0 H GLY A 35 90.017 -15.727 -40.390 1.00 0.00 H new ATOM 0 HA2 GLY A 35 87.750 -15.707 -40.702 1.00 0.00 H new ATOM 0 HA3 GLY A 35 87.778 -16.334 -39.066 1.00 0.00 H new ATOM 537 N GLU A 36 87.416 -13.156 -39.965 1.00 0.00 N ATOM 538 CA GLU A 36 86.790 -11.897 -39.579 1.00 0.00 C ATOM 539 C GLU A 36 85.381 -11.800 -40.155 1.00 0.00 C ATOM 540 O GLU A 36 85.108 -12.308 -41.242 1.00 0.00 O ATOM 541 CB GLU A 36 87.630 -10.720 -40.081 1.00 0.00 C ATOM 542 CG GLU A 36 88.781 -10.462 -39.107 1.00 0.00 C ATOM 543 CD GLU A 36 88.243 -9.893 -37.799 1.00 0.00 C ATOM 544 OE1 GLU A 36 87.110 -9.437 -37.796 1.00 0.00 O ATOM 545 OE2 GLU A 36 88.969 -9.922 -36.819 1.00 0.00 O ATOM 0 H GLU A 36 87.915 -13.129 -40.854 1.00 0.00 H new ATOM 0 HA GLU A 36 86.729 -11.862 -38.491 1.00 0.00 H new ATOM 0 HB2 GLU A 36 88.022 -10.937 -41.075 1.00 0.00 H new ATOM 0 HB3 GLU A 36 87.009 -9.829 -40.171 1.00 0.00 H new ATOM 0 HG2 GLU A 36 89.320 -11.390 -38.915 1.00 0.00 H new ATOM 0 HG3 GLU A 36 89.493 -9.766 -39.550 1.00 0.00 H new ATOM 552 N CYS A 37 84.491 -11.145 -39.417 1.00 0.00 N ATOM 553 CA CYS A 37 83.113 -10.981 -39.867 1.00 0.00 C ATOM 554 C CYS A 37 82.989 -9.768 -40.783 1.00 0.00 C ATOM 555 O CYS A 37 83.815 -8.857 -40.738 1.00 0.00 O ATOM 556 CB CYS A 37 82.134 -10.729 -38.682 1.00 0.00 C ATOM 557 SG CYS A 37 81.387 -12.252 -38.049 1.00 0.00 S ATOM 0 H CYS A 37 84.696 -10.722 -38.512 1.00 0.00 H new ATOM 0 HA CYS A 37 82.856 -11.907 -40.381 1.00 0.00 H new ATOM 0 HB2 CYS A 37 82.670 -10.230 -37.874 1.00 0.00 H new ATOM 0 HB3 CYS A 37 81.345 -10.051 -39.007 1.00 0.00 H new ATOM 562 N PHE A 38 81.950 -9.763 -41.612 1.00 0.00 N ATOM 563 CA PHE A 38 81.710 -8.642 -42.514 1.00 0.00 C ATOM 564 C PHE A 38 80.213 -8.439 -42.729 1.00 0.00 C ATOM 565 O PHE A 38 79.398 -9.256 -42.300 1.00 0.00 O ATOM 566 CB PHE A 38 82.390 -8.901 -43.861 1.00 0.00 C ATOM 567 CG PHE A 38 83.889 -8.822 -43.691 1.00 0.00 C ATOM 568 CD1 PHE A 38 84.593 -9.920 -43.182 1.00 0.00 C ATOM 569 CD2 PHE A 38 84.573 -7.653 -44.042 1.00 0.00 C ATOM 570 CE1 PHE A 38 85.983 -9.848 -43.026 1.00 0.00 C ATOM 571 CE2 PHE A 38 85.962 -7.581 -43.886 1.00 0.00 C ATOM 572 CZ PHE A 38 86.667 -8.677 -43.377 1.00 0.00 C ATOM 0 H PHE A 38 81.265 -10.516 -41.678 1.00 0.00 H new ATOM 0 HA PHE A 38 82.127 -7.741 -42.064 1.00 0.00 H new ATOM 0 HB2 PHE A 38 82.107 -9.883 -44.240 1.00 0.00 H new ATOM 0 HB3 PHE A 38 82.057 -8.168 -44.596 1.00 0.00 H new ATOM 0 HD1 PHE A 38 84.065 -10.822 -42.910 1.00 0.00 H new ATOM 0 HD2 PHE A 38 84.029 -6.806 -44.433 1.00 0.00 H new ATOM 0 HE1 PHE A 38 86.527 -10.695 -42.635 1.00 0.00 H new ATOM 0 HE2 PHE A 38 86.490 -6.679 -44.159 1.00 0.00 H new ATOM 0 HZ PHE A 38 87.739 -8.620 -43.255 1.00 0.00 H new ATOM 582 N TYR A 39 79.860 -7.346 -43.397 1.00 0.00 N ATOM 583 CA TYR A 39 78.458 -7.049 -43.669 1.00 0.00 C ATOM 584 C TYR A 39 78.115 -7.369 -45.120 1.00 0.00 C ATOM 585 O TYR A 39 78.714 -6.821 -46.045 1.00 0.00 O ATOM 586 CB TYR A 39 78.173 -5.572 -43.387 1.00 0.00 C ATOM 587 CG TYR A 39 78.113 -5.347 -41.896 1.00 0.00 C ATOM 588 CD1 TYR A 39 76.896 -5.478 -41.215 1.00 0.00 C ATOM 589 CD2 TYR A 39 79.275 -5.007 -41.192 1.00 0.00 C ATOM 590 CE1 TYR A 39 76.841 -5.270 -39.833 1.00 0.00 C ATOM 591 CE2 TYR A 39 79.220 -4.800 -39.809 1.00 0.00 C ATOM 592 CZ TYR A 39 78.003 -4.930 -39.128 1.00 0.00 C ATOM 593 OH TYR A 39 77.949 -4.726 -37.765 1.00 0.00 O ATOM 0 H TYR A 39 80.519 -6.656 -43.758 1.00 0.00 H new ATOM 0 HA TYR A 39 77.841 -7.668 -43.017 1.00 0.00 H new ATOM 0 HB2 TYR A 39 78.951 -4.950 -43.828 1.00 0.00 H new ATOM 0 HB3 TYR A 39 77.230 -5.278 -43.848 1.00 0.00 H new ATOM 0 HD1 TYR A 39 76.000 -5.740 -41.757 1.00 0.00 H new ATOM 0 HD2 TYR A 39 80.214 -4.905 -41.716 1.00 0.00 H new ATOM 0 HE1 TYR A 39 75.902 -5.372 -39.309 1.00 0.00 H new ATOM 0 HE2 TYR A 39 80.117 -4.540 -39.266 1.00 0.00 H new ATOM 0 HH TYR A 39 78.842 -4.499 -37.433 1.00 0.00 H new ATOM 603 N ASP A 40 77.147 -8.259 -45.312 1.00 0.00 N ATOM 604 CA ASP A 40 76.736 -8.649 -46.656 1.00 0.00 C ATOM 605 C ASP A 40 75.484 -7.885 -47.076 1.00 0.00 C ATOM 606 O ASP A 40 75.165 -6.839 -46.511 1.00 0.00 O ATOM 607 CB ASP A 40 76.457 -10.152 -46.700 1.00 0.00 C ATOM 608 CG ASP A 40 77.733 -10.928 -46.393 1.00 0.00 C ATOM 609 OD1 ASP A 40 78.799 -10.344 -46.500 1.00 0.00 O ATOM 610 OD2 ASP A 40 77.626 -12.095 -46.054 1.00 0.00 O ATOM 0 H ASP A 40 76.636 -8.721 -44.560 1.00 0.00 H new ATOM 0 HA ASP A 40 77.544 -8.409 -47.347 1.00 0.00 H new ATOM 0 HB2 ASP A 40 75.683 -10.408 -45.977 1.00 0.00 H new ATOM 0 HB3 ASP A 40 76.079 -10.432 -47.683 1.00 0.00 H new ATOM 615 N GLU A 41 74.780 -8.415 -48.071 1.00 0.00 N ATOM 616 CA GLU A 41 73.567 -7.773 -48.563 1.00 0.00 C ATOM 617 C GLU A 41 72.502 -7.734 -47.471 1.00 0.00 C ATOM 618 O GLU A 41 71.623 -6.872 -47.480 1.00 0.00 O ATOM 619 CB GLU A 41 73.028 -8.533 -49.776 1.00 0.00 C ATOM 620 CG GLU A 41 74.056 -8.480 -50.909 1.00 0.00 C ATOM 621 CD GLU A 41 73.511 -9.195 -52.141 1.00 0.00 C ATOM 622 OE1 GLU A 41 72.467 -9.816 -52.029 1.00 0.00 O ATOM 623 OE2 GLU A 41 74.146 -9.110 -53.180 1.00 0.00 O ATOM 0 H GLU A 41 75.026 -9.281 -48.550 1.00 0.00 H new ATOM 0 HA GLU A 41 73.812 -6.752 -48.854 1.00 0.00 H new ATOM 0 HB2 GLU A 41 72.820 -9.569 -49.507 1.00 0.00 H new ATOM 0 HB3 GLU A 41 72.086 -8.094 -50.104 1.00 0.00 H new ATOM 0 HG2 GLU A 41 74.288 -7.443 -51.153 1.00 0.00 H new ATOM 0 HG3 GLU A 41 74.987 -8.948 -50.589 1.00 0.00 H new ATOM 630 N LYS A 42 72.587 -8.672 -46.534 1.00 0.00 N ATOM 631 CA LYS A 42 71.624 -8.735 -45.441 1.00 0.00 C ATOM 632 C LYS A 42 72.161 -8.011 -44.210 1.00 0.00 C ATOM 633 O LYS A 42 71.687 -8.227 -43.095 1.00 0.00 O ATOM 634 CB LYS A 42 71.329 -10.195 -45.088 1.00 0.00 C ATOM 635 CG LYS A 42 70.707 -10.897 -46.296 1.00 0.00 C ATOM 636 CD LYS A 42 70.684 -12.407 -46.053 1.00 0.00 C ATOM 637 CE LYS A 42 69.900 -12.706 -44.774 1.00 0.00 C ATOM 638 NZ LYS A 42 68.699 -11.827 -44.709 1.00 0.00 N ATOM 0 H LYS A 42 73.307 -9.394 -46.509 1.00 0.00 H new ATOM 0 HA LYS A 42 70.705 -8.246 -45.764 1.00 0.00 H new ATOM 0 HB2 LYS A 42 72.248 -10.702 -44.793 1.00 0.00 H new ATOM 0 HB3 LYS A 42 70.650 -10.244 -44.236 1.00 0.00 H new ATOM 0 HG2 LYS A 42 69.694 -10.529 -46.462 1.00 0.00 H new ATOM 0 HG3 LYS A 42 71.280 -10.671 -47.196 1.00 0.00 H new ATOM 0 HD2 LYS A 42 70.225 -12.916 -46.901 1.00 0.00 H new ATOM 0 HD3 LYS A 42 71.702 -12.788 -45.966 1.00 0.00 H new ATOM 0 HE2 LYS A 42 69.598 -13.753 -44.756 1.00 0.00 H new ATOM 0 HE3 LYS A 42 70.532 -12.541 -43.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 67.957 -12.294 -44.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 68.954 -10.924 -44.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 68.347 -11.649 -45.671 1.00 0.00 H new ATOM 652 N ARG A 43 73.153 -7.152 -44.422 1.00 0.00 N ATOM 653 CA ARG A 43 73.758 -6.414 -43.320 1.00 0.00 C ATOM 654 C ARG A 43 73.996 -7.333 -42.126 1.00 0.00 C ATOM 655 O ARG A 43 74.034 -6.883 -40.981 1.00 0.00 O ATOM 656 CB ARG A 43 72.847 -5.257 -42.903 1.00 0.00 C ATOM 657 CG ARG A 43 73.014 -4.095 -43.883 1.00 0.00 C ATOM 658 CD ARG A 43 71.947 -3.036 -43.605 1.00 0.00 C ATOM 659 NE ARG A 43 71.994 -1.993 -44.624 1.00 0.00 N ATOM 660 CZ ARG A 43 71.430 -0.807 -44.420 1.00 0.00 C ATOM 661 NH1 ARG A 43 70.820 -0.559 -43.294 1.00 0.00 N ATOM 662 NH2 ARG A 43 71.486 0.111 -45.347 1.00 0.00 N ATOM 0 H ARG A 43 73.552 -6.951 -45.339 1.00 0.00 H new ATOM 0 HA ARG A 43 74.716 -6.018 -43.656 1.00 0.00 H new ATOM 0 HB2 ARG A 43 71.808 -5.586 -42.887 1.00 0.00 H new ATOM 0 HB3 ARG A 43 73.094 -4.932 -41.892 1.00 0.00 H new ATOM 0 HG2 ARG A 43 74.008 -3.660 -43.782 1.00 0.00 H new ATOM 0 HG3 ARG A 43 72.926 -4.455 -44.908 1.00 0.00 H new ATOM 0 HD2 ARG A 43 70.960 -3.498 -43.593 1.00 0.00 H new ATOM 0 HD3 ARG A 43 72.106 -2.599 -42.619 1.00 0.00 H new ATOM 0 HE ARG A 43 72.468 -2.177 -45.508 1.00 0.00 H new ATOM 0 HH11 ARG A 43 70.776 -1.276 -42.569 1.00 0.00 H new ATOM 0 HH12 ARG A 43 70.387 0.351 -43.138 1.00 0.00 H new ATOM 0 HH21 ARG A 43 71.963 -0.082 -46.228 1.00 0.00 H new ATOM 0 HH22 ARG A 43 71.053 1.021 -45.190 1.00 0.00 H new ATOM 676 N ASN A 44 74.157 -8.623 -42.402 1.00 0.00 N ATOM 677 CA ASN A 44 74.400 -9.597 -41.344 1.00 0.00 C ATOM 678 C ASN A 44 75.897 -9.835 -41.170 1.00 0.00 C ATOM 679 O ASN A 44 76.671 -9.704 -42.118 1.00 0.00 O ATOM 680 CB ASN A 44 73.707 -10.917 -41.680 1.00 0.00 C ATOM 681 CG ASN A 44 72.240 -10.857 -41.266 1.00 0.00 C ATOM 682 OD1 ASN A 44 71.769 -9.820 -40.799 1.00 0.00 O ATOM 683 ND2 ASN A 44 71.486 -11.913 -41.411 1.00 0.00 N ATOM 0 H ASN A 44 74.124 -9.016 -43.343 1.00 0.00 H new ATOM 0 HA ASN A 44 73.995 -9.202 -40.412 1.00 0.00 H new ATOM 0 HB2 ASN A 44 73.784 -11.116 -42.749 1.00 0.00 H new ATOM 0 HB3 ASN A 44 74.205 -11.740 -41.166 1.00 0.00 H new ATOM 0 HD21 ASN A 44 70.504 -11.880 -41.137 1.00 0.00 H new ATOM 0 HD22 ASN A 44 71.879 -12.771 -41.798 1.00 0.00 H new ATOM 690 N LEU A 45 76.298 -10.185 -39.952 1.00 0.00 N ATOM 691 CA LEU A 45 77.700 -10.468 -39.671 1.00 0.00 C ATOM 692 C LEU A 45 78.030 -11.922 -39.992 1.00 0.00 C ATOM 693 O LEU A 45 77.594 -12.836 -39.293 1.00 0.00 O ATOM 694 CB LEU A 45 78.007 -10.186 -38.199 1.00 0.00 C ATOM 695 CG LEU A 45 77.083 -9.080 -37.687 1.00 0.00 C ATOM 696 CD1 LEU A 45 77.290 -8.894 -36.183 1.00 0.00 C ATOM 697 CD2 LEU A 45 77.407 -7.771 -38.411 1.00 0.00 C ATOM 0 H LEU A 45 75.676 -10.279 -39.149 1.00 0.00 H new ATOM 0 HA LEU A 45 78.313 -9.822 -40.299 1.00 0.00 H new ATOM 0 HB2 LEU A 45 77.870 -11.092 -37.608 1.00 0.00 H new ATOM 0 HB3 LEU A 45 79.049 -9.886 -38.085 1.00 0.00 H new ATOM 0 HG LEU A 45 76.046 -9.357 -37.878 1.00 0.00 H new ATOM 0 HD11 LEU A 45 76.631 -8.106 -35.820 1.00 0.00 H new ATOM 0 HD12 LEU A 45 77.060 -9.826 -35.666 1.00 0.00 H new ATOM 0 HD13 LEU A 45 78.327 -8.618 -35.990 1.00 0.00 H new ATOM 0 HD21 LEU A 45 76.749 -6.982 -38.047 1.00 0.00 H new ATOM 0 HD22 LEU A 45 78.444 -7.496 -38.219 1.00 0.00 H new ATOM 0 HD23 LEU A 45 77.259 -7.902 -39.483 1.00 0.00 H new ATOM 709 N GLN A 46 78.803 -12.128 -41.053 1.00 0.00 N ATOM 710 CA GLN A 46 79.152 -13.477 -41.483 1.00 0.00 C ATOM 711 C GLN A 46 80.661 -13.686 -41.417 1.00 0.00 C ATOM 712 O GLN A 46 81.429 -12.921 -42.000 1.00 0.00 O ATOM 713 CB GLN A 46 78.664 -13.713 -42.913 1.00 0.00 C ATOM 714 CG GLN A 46 77.374 -12.923 -43.150 1.00 0.00 C ATOM 715 CD GLN A 46 76.529 -13.612 -44.215 1.00 0.00 C ATOM 716 OE1 GLN A 46 77.068 -14.226 -45.136 1.00 0.00 O ATOM 717 NE2 GLN A 46 75.227 -13.550 -44.144 1.00 0.00 N ATOM 0 H GLN A 46 79.198 -11.383 -41.628 1.00 0.00 H new ATOM 0 HA GLN A 46 78.668 -14.188 -40.813 1.00 0.00 H new ATOM 0 HB2 GLN A 46 79.429 -13.403 -43.625 1.00 0.00 H new ATOM 0 HB3 GLN A 46 78.487 -14.776 -43.077 1.00 0.00 H new ATOM 0 HG2 GLN A 46 76.810 -12.845 -42.221 1.00 0.00 H new ATOM 0 HG3 GLN A 46 77.613 -11.907 -43.464 1.00 0.00 H new ATOM 0 HE21 GLN A 46 74.782 -13.041 -43.380 1.00 0.00 H new ATOM 0 HE22 GLN A 46 74.655 -14.011 -44.852 1.00 0.00 H new ATOM 726 N CYS A 47 81.079 -14.726 -40.704 1.00 0.00 N ATOM 727 CA CYS A 47 82.500 -15.027 -40.572 1.00 0.00 C ATOM 728 C CYS A 47 83.119 -15.313 -41.936 1.00 0.00 C ATOM 729 O CYS A 47 82.731 -16.264 -42.616 1.00 0.00 O ATOM 730 CB CYS A 47 82.717 -16.242 -39.660 1.00 0.00 C ATOM 731 SG CYS A 47 81.806 -16.060 -38.106 1.00 0.00 S ATOM 0 H CYS A 47 80.460 -15.370 -40.212 1.00 0.00 H new ATOM 0 HA CYS A 47 82.982 -14.154 -40.131 1.00 0.00 H new ATOM 0 HB2 CYS A 47 82.392 -17.148 -40.172 1.00 0.00 H new ATOM 0 HB3 CYS A 47 83.780 -16.358 -39.451 1.00 0.00 H new ATOM 736 N ILE A 48 84.080 -14.485 -42.332 1.00 0.00 N ATOM 737 CA ILE A 48 84.747 -14.662 -43.616 1.00 0.00 C ATOM 738 C ILE A 48 86.174 -15.163 -43.414 1.00 0.00 C ATOM 739 O ILE A 48 87.011 -14.466 -42.842 1.00 0.00 O ATOM 740 CB ILE A 48 84.773 -13.337 -44.379 1.00 0.00 C ATOM 741 CG1 ILE A 48 83.339 -12.893 -44.678 1.00 0.00 C ATOM 742 CG2 ILE A 48 85.535 -13.518 -45.693 1.00 0.00 C ATOM 743 CD1 ILE A 48 83.356 -11.801 -45.750 1.00 0.00 C ATOM 0 H ILE A 48 84.412 -13.690 -41.786 1.00 0.00 H new ATOM 0 HA ILE A 48 84.192 -15.402 -44.193 1.00 0.00 H new ATOM 0 HB ILE A 48 85.270 -12.579 -43.773 1.00 0.00 H new ATOM 0 HG12 ILE A 48 82.747 -13.743 -45.019 1.00 0.00 H new ATOM 0 HG13 ILE A 48 82.866 -12.519 -43.770 1.00 0.00 H new ATOM 0 HG21 ILE A 48 85.553 -12.573 -46.236 1.00 0.00 H new ATOM 0 HG22 ILE A 48 86.556 -13.834 -45.481 1.00 0.00 H new ATOM 0 HG23 ILE A 48 85.039 -14.276 -46.300 1.00 0.00 H new ATOM 0 HD11 ILE A 48 82.335 -11.485 -45.963 1.00 0.00 H new ATOM 0 HD12 ILE A 48 83.933 -10.948 -45.392 1.00 0.00 H new ATOM 0 HD13 ILE A 48 83.812 -12.191 -46.660 1.00 0.00 H new ATOM 755 N CYS A 49 86.443 -16.376 -43.887 1.00 0.00 N ATOM 756 CA CYS A 49 87.777 -16.952 -43.770 1.00 0.00 C ATOM 757 C CYS A 49 88.744 -16.262 -44.727 1.00 0.00 C ATOM 758 O CYS A 49 88.531 -16.249 -45.939 1.00 0.00 O ATOM 759 CB CYS A 49 87.719 -18.432 -44.118 1.00 0.00 C ATOM 760 SG CYS A 49 86.718 -19.384 -42.949 1.00 0.00 S ATOM 0 H CYS A 49 85.760 -16.975 -44.351 1.00 0.00 H new ATOM 0 HA CYS A 49 88.126 -16.815 -42.747 1.00 0.00 H new ATOM 0 HB2 CYS A 49 87.309 -18.550 -45.121 1.00 0.00 H new ATOM 0 HB3 CYS A 49 88.731 -18.837 -44.138 1.00 0.00 H new ATOM 765 N ASP A 50 89.807 -15.688 -44.173 1.00 0.00 N ATOM 766 CA ASP A 50 90.781 -14.966 -44.983 1.00 0.00 C ATOM 767 C ASP A 50 92.156 -15.615 -44.872 1.00 0.00 C ATOM 768 O ASP A 50 92.781 -15.592 -43.812 1.00 0.00 O ATOM 769 CB ASP A 50 90.865 -13.509 -44.524 1.00 0.00 C ATOM 770 CG ASP A 50 89.466 -12.968 -44.247 1.00 0.00 C ATOM 771 OD1 ASP A 50 88.512 -13.663 -44.556 1.00 0.00 O ATOM 772 OD2 ASP A 50 89.370 -11.867 -43.730 1.00 0.00 O ATOM 0 H ASP A 50 90.015 -15.708 -43.175 1.00 0.00 H new ATOM 0 HA ASP A 50 90.457 -15.001 -46.023 1.00 0.00 H new ATOM 0 HB2 ASP A 50 91.476 -13.437 -43.624 1.00 0.00 H new ATOM 0 HB3 ASP A 50 91.352 -12.905 -45.290 1.00 0.00 H new ATOM 777 N TYR A 51 92.622 -16.193 -45.975 1.00 0.00 N ATOM 778 CA TYR A 51 93.951 -16.793 -46.008 1.00 0.00 C ATOM 779 C TYR A 51 94.903 -15.938 -46.838 1.00 0.00 C ATOM 780 O TYR A 51 95.396 -16.373 -47.879 1.00 0.00 O ATOM 781 CB TYR A 51 93.872 -18.200 -46.603 1.00 0.00 C ATOM 782 CG TYR A 51 92.459 -18.719 -46.482 1.00 0.00 C ATOM 783 CD1 TYR A 51 91.453 -18.210 -47.311 1.00 0.00 C ATOM 784 CD2 TYR A 51 92.155 -19.708 -45.539 1.00 0.00 C ATOM 785 CE1 TYR A 51 90.142 -18.690 -47.199 1.00 0.00 C ATOM 786 CE2 TYR A 51 90.844 -20.187 -45.425 1.00 0.00 C ATOM 787 CZ TYR A 51 89.838 -19.678 -46.255 1.00 0.00 C ATOM 788 OH TYR A 51 88.547 -20.152 -46.144 1.00 0.00 O ATOM 0 H TYR A 51 92.104 -16.258 -46.851 1.00 0.00 H new ATOM 0 HA TYR A 51 94.330 -16.851 -44.988 1.00 0.00 H new ATOM 0 HB2 TYR A 51 94.176 -18.181 -47.650 1.00 0.00 H new ATOM 0 HB3 TYR A 51 94.561 -18.866 -46.083 1.00 0.00 H new ATOM 0 HD1 TYR A 51 91.688 -17.446 -48.038 1.00 0.00 H new ATOM 0 HD2 TYR A 51 92.931 -20.101 -44.900 1.00 0.00 H new ATOM 0 HE1 TYR A 51 89.366 -18.298 -47.840 1.00 0.00 H new ATOM 0 HE2 TYR A 51 90.609 -20.949 -44.697 1.00 0.00 H new ATOM 0 HH TYR A 51 88.324 -20.684 -46.937 1.00 0.00 H new ATOM 798 N CYS A 52 95.157 -14.720 -46.371 1.00 0.00 N ATOM 799 CA CYS A 52 96.031 -13.801 -47.092 1.00 0.00 C ATOM 800 C CYS A 52 96.331 -12.570 -46.244 1.00 0.00 C ATOM 801 O CYS A 52 96.042 -12.543 -45.047 1.00 0.00 O ATOM 802 CB CYS A 52 95.370 -13.372 -48.402 1.00 0.00 C ATOM 803 SG CYS A 52 95.730 -14.593 -49.689 1.00 0.00 S ATOM 0 H CYS A 52 94.773 -14.348 -45.502 1.00 0.00 H new ATOM 0 HA CYS A 52 96.967 -14.315 -47.309 1.00 0.00 H new ATOM 0 HB2 CYS A 52 94.293 -13.280 -48.265 1.00 0.00 H new ATOM 0 HB3 CYS A 52 95.738 -12.391 -48.703 1.00 0.00 H new ATOM 808 N GLU A 53 96.913 -11.553 -46.870 1.00 0.00 N ATOM 809 CA GLU A 53 97.238 -10.319 -46.164 1.00 0.00 C ATOM 810 C GLU A 53 96.225 -9.228 -46.494 1.00 0.00 C ATOM 811 O GLU A 53 96.509 -8.318 -47.273 1.00 0.00 O ATOM 812 CB GLU A 53 98.642 -9.849 -46.554 1.00 0.00 C ATOM 813 CG GLU A 53 99.678 -10.844 -46.027 1.00 0.00 C ATOM 814 CD GLU A 53 99.733 -10.781 -44.504 1.00 0.00 C ATOM 815 OE1 GLU A 53 99.240 -9.810 -43.952 1.00 0.00 O ATOM 816 OE2 GLU A 53 100.268 -11.703 -43.912 1.00 0.00 O ATOM 0 H GLU A 53 97.168 -11.558 -47.858 1.00 0.00 H new ATOM 0 HA GLU A 53 97.205 -10.517 -45.093 1.00 0.00 H new ATOM 0 HB2 GLU A 53 98.721 -9.765 -47.638 1.00 0.00 H new ATOM 0 HB3 GLU A 53 98.832 -8.858 -46.143 1.00 0.00 H new ATOM 0 HG2 GLU A 53 99.422 -11.853 -46.349 1.00 0.00 H new ATOM 0 HG3 GLU A 53 100.659 -10.616 -46.444 1.00 0.00 H new ATOM 823 N TYR A 54 95.042 -9.326 -45.896 1.00 0.00 N ATOM 824 CA TYR A 54 93.996 -8.337 -46.128 1.00 0.00 C ATOM 825 C TYR A 54 94.590 -6.933 -46.192 1.00 0.00 C ATOM 826 CB TYR A 54 92.957 -8.402 -45.007 1.00 0.00 C ATOM 827 CG TYR A 54 93.661 -8.519 -43.675 1.00 0.00 C ATOM 828 CD1 TYR A 54 93.962 -9.781 -43.151 1.00 0.00 C ATOM 829 CD2 TYR A 54 94.010 -7.363 -42.965 1.00 0.00 C ATOM 830 CE1 TYR A 54 94.615 -9.889 -41.918 1.00 0.00 C ATOM 831 CE2 TYR A 54 94.662 -7.472 -41.731 1.00 0.00 C ATOM 832 CZ TYR A 54 94.964 -8.735 -41.207 1.00 0.00 C ATOM 833 OH TYR A 54 95.607 -8.841 -39.990 1.00 0.00 O ATOM 0 H TYR A 54 94.785 -10.074 -45.252 1.00 0.00 H new ATOM 0 HA TYR A 54 93.517 -8.561 -47.081 1.00 0.00 H new ATOM 0 HB2 TYR A 54 92.332 -7.509 -45.023 1.00 0.00 H new ATOM 0 HB3 TYR A 54 92.296 -9.256 -45.158 1.00 0.00 H new ATOM 0 HD1 TYR A 54 93.690 -10.672 -43.698 1.00 0.00 H new ATOM 0 HD2 TYR A 54 93.776 -6.389 -43.369 1.00 0.00 H new ATOM 0 HE1 TYR A 54 94.850 -10.863 -41.515 1.00 0.00 H new ATOM 0 HE2 TYR A 54 94.932 -6.582 -41.183 1.00 0.00 H new ATOM 0 HH TYR A 54 95.778 -7.945 -39.631 1.00 0.00 H new TER 843 TYR A 54