USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 928 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 71 ASN : amide:sc= 1.04 K(o=1.9,f=0.42) USER MOD Set 1.2: A 73 TYR OH : rot 180:sc= 0.887 USER MOD Set 2.1: A 17 ASN : amide:sc= 1.15 K(o=1.5,f=-1.8) USER MOD Set 2.2: A 48 HIS : no HD1:sc= 0.327 K(o=1.5,f=-5.9!) USER MOD Set 3.1: A 25 TYR OH : rot 15:sc= 0.41 USER MOD Set 3.2: A 29 MET CE :methyl -179:sc= -0.0121 (180deg=-0.0136) USER MOD Set 4.1: A 23 SER OG : rot 104:sc= 1.3 USER MOD Set 4.2: A 24 ASN : amide:sc= 0.797 K(o=2.1,f=-1.5!) USER MOD Set 5.1: A 18 SER OG : rot 130:sc= 0.0667 USER MOD Set 5.2: A 101 GLN : amide:sc= 1.13 K(o=1.2,f=-1.7) USER MOD Set 6.1: A 12 HIS : no HE2:sc= -0.701 K(o=0.79,f=-2.2) USER MOD Set 6.2: A 44 ASN : amide:sc= 1.49 K(o=0.79,f=-6.8!) USER MOD Single : A 1 LYS N :NH3+ -150:sc= -0.0277 (180deg=-0.235) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 MET CE :methyl -164:sc= -0.0379 (180deg=-0.333) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 39:sc= 1.17 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0.521 K(o=0.52,f=-0.014) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0901 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 170:sc= -0.0108 (180deg=-0.131) USER MOD Single : A 41 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.108) USER MOD Single : A 45 THR OG1 : rot -73:sc= 1.2 USER MOD Single : A 50 SER OG : rot 180:sc= 0.0589 USER MOD Single : A 55 LYS NZ :NH3+ 150:sc= 0.234 (180deg=-0.0267) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0.476 K(o=0.48,f=-0.74) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 143:sc= 0.238 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0.284 X(o=0.28,f=-0.026) USER MOD Single : A 70 THR OG1 : rot 31:sc= 0.619 USER MOD Single : A 74 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 75 SER OG : rot 95:sc= 1.93 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0347 USER MOD Single : A 79 MET CE :methyl -178:sc= -0.0601 (180deg=-0.0644) USER MOD Single : A 82 THR OG1 : rot 170:sc= 1.25 USER MOD Single : A 87 THR OG1 : rot -160:sc=-0.00501 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 105:sc= 1.12 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 142:sc= 1.24 USER MOD Single : A 94 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 97 TYR OH : rot 155:sc= 1.14 USER MOD Single : A 98 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00983) USER MOD Single : A 99 THR OG1 : rot -73:sc= -0.554 USER MOD Single : A 100 THR OG1 : rot -150:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 168:sc= -0.0111 (180deg=-0.174) USER MOD Single : A 105 HIS : no HE2:sc= 0.125 K(o=0.12,f=-2.2) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 180:sc= 0.00569 USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=-0.0084) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -13.364 -10.259 2.299 1.00 0.00 N ATOM 2 CA LYS A 1 -13.998 -10.210 3.633 1.00 0.00 C ATOM 3 C LYS A 1 -12.961 -10.305 4.759 1.00 0.00 C ATOM 4 O LYS A 1 -13.125 -9.692 5.809 1.00 0.00 O ATOM 5 CB LYS A 1 -15.051 -11.323 3.763 1.00 0.00 C ATOM 6 CG LYS A 1 -16.174 -10.972 4.749 1.00 0.00 C ATOM 7 CD LYS A 1 -17.196 -10.025 4.102 1.00 0.00 C ATOM 8 CE LYS A 1 -18.341 -9.714 5.071 1.00 0.00 C ATOM 9 NZ LYS A 1 -19.349 -8.845 4.440 1.00 0.00 N ATOM 0 H1 LYS A 1 -13.936 -9.714 1.623 1.00 0.00 H new ATOM 0 H2 LYS A 1 -12.409 -9.850 2.353 1.00 0.00 H new ATOM 0 H3 LYS A 1 -13.300 -11.247 1.981 1.00 0.00 H new ATOM 0 HA LYS A 1 -14.494 -9.244 3.732 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -15.484 -11.522 2.783 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -14.563 -12.242 4.088 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -16.674 -11.884 5.077 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -15.750 -10.504 5.637 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -16.703 -9.099 3.805 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -17.595 -10.479 3.195 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -18.809 -10.643 5.395 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -17.945 -9.228 5.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -20.113 -8.650 5.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -18.905 -7.950 4.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -19.742 -9.321 3.603 1.00 0.00 H new ATOM 25 N GLU A 2 -11.905 -11.089 4.516 1.00 0.00 N ATOM 26 CA GLU A 2 -10.828 -11.415 5.435 1.00 0.00 C ATOM 27 C GLU A 2 -10.457 -10.293 6.412 1.00 0.00 C ATOM 28 O GLU A 2 -9.912 -9.258 6.016 1.00 0.00 O ATOM 29 CB GLU A 2 -9.590 -11.772 4.616 1.00 0.00 C ATOM 30 CG GLU A 2 -8.409 -12.109 5.534 1.00 0.00 C ATOM 31 CD GLU A 2 -8.507 -13.522 6.102 1.00 0.00 C ATOM 32 OE1 GLU A 2 -8.354 -14.468 5.303 1.00 0.00 O ATOM 33 OE2 GLU A 2 -8.765 -13.618 7.320 1.00 0.00 O ATOM 0 H GLU A 2 -11.779 -11.539 3.609 1.00 0.00 H new ATOM 0 HA GLU A 2 -11.186 -12.244 6.045 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -9.809 -12.622 3.970 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -9.325 -10.938 3.966 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.477 -12.006 4.978 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.371 -11.391 6.354 1.00 0.00 H new ATOM 40 N SER A 3 -10.548 -10.611 7.699 1.00 0.00 N ATOM 41 CA SER A 3 -10.084 -9.825 8.830 1.00 0.00 C ATOM 42 C SER A 3 -8.554 -9.806 8.956 1.00 0.00 C ATOM 43 O SER A 3 -8.001 -10.148 9.997 1.00 0.00 O ATOM 44 CB SER A 3 -10.697 -10.454 10.077 1.00 0.00 C ATOM 45 OG SER A 3 -12.082 -10.675 9.886 1.00 0.00 O ATOM 0 H SER A 3 -10.978 -11.486 7.997 1.00 0.00 H new ATOM 0 HA SER A 3 -10.388 -8.787 8.696 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.199 -11.398 10.299 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.541 -9.801 10.936 1.00 0.00 H new ATOM 0 HG SER A 3 -12.463 -11.080 10.693 1.00 0.00 H new ATOM 51 N ALA A 4 -7.877 -9.392 7.889 1.00 0.00 N ATOM 52 CA ALA A 4 -6.430 -9.270 7.778 1.00 0.00 C ATOM 53 C ALA A 4 -6.152 -8.568 6.468 1.00 0.00 C ATOM 54 O ALA A 4 -5.481 -7.548 6.425 1.00 0.00 O ATOM 55 CB ALA A 4 -5.725 -10.633 7.726 1.00 0.00 C ATOM 0 H ALA A 4 -8.353 -9.117 7.030 1.00 0.00 H new ATOM 0 HA ALA A 4 -6.059 -8.733 8.651 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -4.649 -10.483 7.643 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -5.945 -11.191 8.636 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -6.081 -11.194 6.862 1.00 0.00 H new ATOM 61 N ALA A 5 -6.691 -9.147 5.397 1.00 0.00 N ATOM 62 CA ALA A 5 -6.387 -8.776 4.035 1.00 0.00 C ATOM 63 C ALA A 5 -7.411 -7.790 3.521 1.00 0.00 C ATOM 64 O ALA A 5 -7.024 -6.807 2.893 1.00 0.00 O ATOM 65 CB ALA A 5 -6.312 -10.006 3.150 1.00 0.00 C ATOM 0 H ALA A 5 -7.368 -9.907 5.465 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.410 -8.292 4.012 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -6.082 -9.705 2.128 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -5.530 -10.671 3.517 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -7.270 -10.526 3.168 1.00 0.00 H new ATOM 71 N ALA A 6 -8.704 -7.996 3.827 1.00 0.00 N ATOM 72 CA ALA A 6 -9.652 -6.927 3.544 1.00 0.00 C ATOM 73 C ALA A 6 -9.218 -5.710 4.360 1.00 0.00 C ATOM 74 O ALA A 6 -9.248 -4.581 3.875 1.00 0.00 O ATOM 75 CB ALA A 6 -11.087 -7.345 3.875 1.00 0.00 C ATOM 0 H ALA A 6 -9.092 -8.842 4.245 1.00 0.00 H new ATOM 0 HA ALA A 6 -9.649 -6.690 2.480 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -11.766 -6.523 3.651 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -11.360 -8.214 3.277 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -11.158 -7.596 4.933 1.00 0.00 H new ATOM 81 N LYS A 7 -8.753 -5.969 5.587 1.00 0.00 N ATOM 82 CA LYS A 7 -8.338 -4.927 6.503 1.00 0.00 C ATOM 83 C LYS A 7 -7.109 -4.192 5.960 1.00 0.00 C ATOM 84 O LYS A 7 -7.131 -2.973 5.780 1.00 0.00 O ATOM 85 CB LYS A 7 -8.101 -5.531 7.896 1.00 0.00 C ATOM 86 CG LYS A 7 -8.463 -4.466 8.924 1.00 0.00 C ATOM 87 CD LYS A 7 -8.068 -4.870 10.348 1.00 0.00 C ATOM 88 CE LYS A 7 -8.446 -3.748 11.322 1.00 0.00 C ATOM 89 NZ LYS A 7 -8.072 -4.081 12.708 1.00 0.00 N ATOM 0 H LYS A 7 -8.658 -6.912 5.964 1.00 0.00 H new ATOM 0 HA LYS A 7 -9.128 -4.182 6.598 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -8.712 -6.423 8.036 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.061 -5.836 8.010 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.967 -3.531 8.664 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.536 -4.279 8.887 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.573 -5.795 10.628 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.997 -5.064 10.398 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.950 -2.824 11.023 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.519 -3.566 11.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.343 -3.299 13.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.564 -4.949 13.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.044 -4.230 12.764 1.00 0.00 H new ATOM 103 N PHE A 8 -6.053 -4.960 5.676 1.00 0.00 N ATOM 104 CA PHE A 8 -4.832 -4.499 5.040 1.00 0.00 C ATOM 105 C PHE A 8 -5.175 -3.640 3.837 1.00 0.00 C ATOM 106 O PHE A 8 -4.691 -2.521 3.740 1.00 0.00 O ATOM 107 CB PHE A 8 -3.978 -5.684 4.587 1.00 0.00 C ATOM 108 CG PHE A 8 -2.780 -5.311 3.730 1.00 0.00 C ATOM 109 CD1 PHE A 8 -1.713 -4.578 4.281 1.00 0.00 C ATOM 110 CD2 PHE A 8 -2.719 -5.730 2.387 1.00 0.00 C ATOM 111 CE1 PHE A 8 -0.584 -4.280 3.497 1.00 0.00 C ATOM 112 CE2 PHE A 8 -1.585 -5.442 1.608 1.00 0.00 C ATOM 113 CZ PHE A 8 -0.513 -4.726 2.167 1.00 0.00 C ATOM 0 H PHE A 8 -6.032 -5.956 5.894 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.266 -3.913 5.764 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.625 -6.218 5.469 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.608 -6.375 4.027 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -1.761 -4.244 5.307 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -3.546 -6.274 1.954 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.229 -3.708 3.918 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.538 -5.771 0.580 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.366 -4.519 1.574 1.00 0.00 H new ATOM 123 N GLU A 9 -6.017 -4.146 2.932 1.00 0.00 N ATOM 124 CA GLU A 9 -6.421 -3.417 1.760 1.00 0.00 C ATOM 125 C GLU A 9 -7.016 -2.085 2.212 1.00 0.00 C ATOM 126 O GLU A 9 -6.499 -1.048 1.824 1.00 0.00 O ATOM 127 CB GLU A 9 -7.446 -4.259 0.999 1.00 0.00 C ATOM 128 CG GLU A 9 -6.825 -5.000 -0.193 1.00 0.00 C ATOM 129 CD GLU A 9 -7.869 -5.750 -1.017 1.00 0.00 C ATOM 130 OE1 GLU A 9 -9.072 -5.462 -0.820 1.00 0.00 O ATOM 131 OE2 GLU A 9 -7.442 -6.590 -1.836 1.00 0.00 O ATOM 0 H GLU A 9 -6.430 -5.076 3.005 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.579 -3.217 1.097 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.895 -4.983 1.679 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.250 -3.614 0.644 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.306 -4.285 -0.832 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.077 -5.705 0.170 1.00 0.00 H new ATOM 138 N ARG A 10 -8.063 -2.098 3.040 1.00 0.00 N ATOM 139 CA ARG A 10 -8.734 -0.877 3.470 1.00 0.00 C ATOM 140 C ARG A 10 -7.751 0.188 3.984 1.00 0.00 C ATOM 141 O ARG A 10 -7.921 1.365 3.677 1.00 0.00 O ATOM 142 CB ARG A 10 -9.809 -1.189 4.524 1.00 0.00 C ATOM 143 CG ARG A 10 -11.238 -1.232 3.959 1.00 0.00 C ATOM 144 CD ARG A 10 -11.665 -2.585 3.368 1.00 0.00 C ATOM 145 NE ARG A 10 -10.910 -2.991 2.171 1.00 0.00 N ATOM 146 CZ ARG A 10 -11.160 -2.571 0.921 1.00 0.00 C ATOM 147 NH1 ARG A 10 -11.973 -1.527 0.720 1.00 0.00 N ATOM 148 NH2 ARG A 10 -10.614 -3.192 -0.132 1.00 0.00 N ATOM 0 H ARG A 10 -8.465 -2.952 3.427 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.220 -0.455 2.590 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -9.582 -2.149 4.987 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.762 -0.436 5.311 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.934 -0.964 4.754 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -11.329 -0.470 3.185 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.551 -3.354 4.132 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -12.725 -2.540 3.116 1.00 0.00 H new ATOM 0 HE ARG A 10 -10.136 -3.643 2.302 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -12.401 -1.053 1.516 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -12.165 -1.205 -0.229 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.000 -3.994 0.011 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.812 -2.863 -1.077 1.00 0.00 H new ATOM 162 N GLN A 11 -6.746 -0.196 4.781 1.00 0.00 N ATOM 163 CA GLN A 11 -5.758 0.770 5.268 1.00 0.00 C ATOM 164 C GLN A 11 -4.670 1.099 4.237 1.00 0.00 C ATOM 165 O GLN A 11 -4.133 2.207 4.235 1.00 0.00 O ATOM 166 CB GLN A 11 -5.156 0.323 6.610 1.00 0.00 C ATOM 167 CG GLN A 11 -4.338 -0.971 6.521 1.00 0.00 C ATOM 168 CD GLN A 11 -3.807 -1.393 7.884 1.00 0.00 C ATOM 169 OE1 GLN A 11 -4.268 -2.370 8.462 1.00 0.00 O ATOM 170 NE2 GLN A 11 -2.830 -0.660 8.412 1.00 0.00 N ATOM 0 H GLN A 11 -6.598 -1.154 5.098 1.00 0.00 H new ATOM 0 HA GLN A 11 -6.298 1.702 5.434 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.519 1.119 6.995 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.962 0.184 7.331 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -4.959 -1.767 6.109 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -3.504 -0.829 5.833 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.468 0.148 7.905 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.443 -0.906 9.323 1.00 0.00 H new ATOM 179 N HIS A 12 -4.284 0.128 3.413 1.00 0.00 N ATOM 180 CA HIS A 12 -3.125 0.217 2.542 1.00 0.00 C ATOM 181 C HIS A 12 -3.526 0.781 1.186 1.00 0.00 C ATOM 182 O HIS A 12 -3.008 1.811 0.769 1.00 0.00 O ATOM 183 CB HIS A 12 -2.464 -1.159 2.410 1.00 0.00 C ATOM 184 CG HIS A 12 -1.103 -1.101 1.777 1.00 0.00 C ATOM 185 ND1 HIS A 12 -0.011 -0.434 2.296 1.00 0.00 N ATOM 186 CD2 HIS A 12 -0.713 -1.751 0.640 1.00 0.00 C ATOM 187 CE1 HIS A 12 1.041 -0.713 1.509 1.00 0.00 C ATOM 188 NE2 HIS A 12 0.632 -1.486 0.483 1.00 0.00 N ATOM 0 H HIS A 12 -4.781 -0.759 3.334 1.00 0.00 H new ATOM 0 HA HIS A 12 -2.395 0.899 2.979 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -2.379 -1.611 3.398 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -3.107 -1.809 1.816 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -0.004 0.161 3.124 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -1.334 -2.353 -0.007 1.00 0.00 H new ATOM 0 HE1 HIS A 12 2.053 -0.373 1.672 1.00 0.00 H new ATOM 197 N MET A 13 -4.444 0.104 0.496 1.00 0.00 N ATOM 198 CA MET A 13 -4.954 0.525 -0.794 1.00 0.00 C ATOM 199 C MET A 13 -6.053 1.564 -0.602 1.00 0.00 C ATOM 200 O MET A 13 -6.905 1.426 0.270 1.00 0.00 O ATOM 201 CB MET A 13 -5.403 -0.694 -1.627 1.00 0.00 C ATOM 202 CG MET A 13 -6.890 -1.080 -1.531 1.00 0.00 C ATOM 203 SD MET A 13 -7.442 -2.369 -2.680 1.00 0.00 S ATOM 204 CE MET A 13 -7.259 -1.508 -4.261 1.00 0.00 C ATOM 0 H MET A 13 -4.857 -0.767 0.830 1.00 0.00 H new ATOM 0 HA MET A 13 -4.160 1.005 -1.367 1.00 0.00 H new ATOM 0 HB2 MET A 13 -5.168 -0.498 -2.673 1.00 0.00 H new ATOM 0 HB3 MET A 13 -4.807 -1.554 -1.322 1.00 0.00 H new ATOM 0 HG2 MET A 13 -7.095 -1.413 -0.514 1.00 0.00 H new ATOM 0 HG3 MET A 13 -7.490 -0.186 -1.701 1.00 0.00 H new ATOM 0 HE1 MET A 13 -7.813 -2.043 -5.033 1.00 0.00 H new ATOM 0 HE2 MET A 13 -7.649 -0.494 -4.171 1.00 0.00 H new ATOM 0 HE3 MET A 13 -6.204 -1.468 -4.533 1.00 0.00 H new ATOM 214 N ASP A 14 -6.061 2.587 -1.454 1.00 0.00 N ATOM 215 CA ASP A 14 -7.176 3.517 -1.541 1.00 0.00 C ATOM 216 C ASP A 14 -7.152 4.146 -2.928 1.00 0.00 C ATOM 217 O ASP A 14 -7.033 5.365 -3.055 1.00 0.00 O ATOM 218 CB ASP A 14 -7.125 4.560 -0.414 1.00 0.00 C ATOM 219 CG ASP A 14 -8.353 5.465 -0.413 1.00 0.00 C ATOM 220 OD1 ASP A 14 -9.438 4.973 -0.794 1.00 0.00 O ATOM 221 OD2 ASP A 14 -8.189 6.637 -0.012 1.00 0.00 O ATOM 0 H ASP A 14 -5.297 2.791 -2.099 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.122 2.992 -1.405 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.050 4.051 0.547 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.227 5.168 -0.524 1.00 0.00 H new ATOM 226 N SER A 15 -7.184 3.259 -3.937 1.00 0.00 N ATOM 227 CA SER A 15 -7.131 3.555 -5.366 1.00 0.00 C ATOM 228 C SER A 15 -6.366 4.858 -5.614 1.00 0.00 C ATOM 229 O SER A 15 -6.957 5.879 -5.960 1.00 0.00 O ATOM 230 CB SER A 15 -8.550 3.522 -5.953 1.00 0.00 C ATOM 231 OG SER A 15 -9.467 4.205 -5.118 1.00 0.00 O ATOM 0 H SER A 15 -7.252 2.257 -3.758 1.00 0.00 H new ATOM 0 HA SER A 15 -6.568 2.788 -5.898 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.547 3.978 -6.943 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.870 2.488 -6.079 1.00 0.00 H new ATOM 0 HG SER A 15 -10.362 4.170 -5.517 1.00 0.00 H new ATOM 237 N GLY A 16 -5.052 4.813 -5.373 1.00 0.00 N ATOM 238 CA GLY A 16 -4.197 5.987 -5.258 1.00 0.00 C ATOM 239 C GLY A 16 -4.085 6.822 -6.529 1.00 0.00 C ATOM 240 O GLY A 16 -3.072 6.780 -7.221 1.00 0.00 O ATOM 0 H GLY A 16 -4.546 3.936 -5.250 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.578 6.620 -4.456 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.199 5.665 -4.962 1.00 0.00 H new ATOM 244 N ASN A 17 -5.121 7.596 -6.822 1.00 0.00 N ATOM 245 CA ASN A 17 -5.177 8.471 -7.982 1.00 0.00 C ATOM 246 C ASN A 17 -4.359 9.731 -7.716 1.00 0.00 C ATOM 247 O ASN A 17 -4.111 10.095 -6.569 1.00 0.00 O ATOM 248 CB ASN A 17 -6.634 8.825 -8.316 1.00 0.00 C ATOM 249 CG ASN A 17 -7.349 7.697 -9.054 1.00 0.00 C ATOM 250 OD1 ASN A 17 -7.343 7.650 -10.281 1.00 0.00 O ATOM 251 ND2 ASN A 17 -7.957 6.759 -8.339 1.00 0.00 N ATOM 0 H ASN A 17 -5.963 7.633 -6.247 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.751 7.953 -8.842 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.171 9.051 -7.395 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -6.655 9.727 -8.927 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.428 5.985 -8.808 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.953 6.812 -7.320 1.00 0.00 H new ATOM 258 N SER A 18 -3.964 10.412 -8.791 1.00 0.00 N ATOM 259 CA SER A 18 -3.185 11.641 -8.774 1.00 0.00 C ATOM 260 C SER A 18 -3.959 12.764 -9.489 1.00 0.00 C ATOM 261 O SER A 18 -3.548 13.207 -10.563 1.00 0.00 O ATOM 262 CB SER A 18 -1.857 11.323 -9.471 1.00 0.00 C ATOM 263 OG SER A 18 -2.102 10.492 -10.595 1.00 0.00 O ATOM 0 H SER A 18 -4.190 10.105 -9.737 1.00 0.00 H new ATOM 0 HA SER A 18 -2.998 11.993 -7.759 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.369 12.245 -9.786 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.180 10.825 -8.777 1.00 0.00 H new ATOM 0 HG SER A 18 -1.655 10.867 -11.382 1.00 0.00 H new ATOM 269 N PRO A 19 -5.091 13.237 -8.937 1.00 0.00 N ATOM 270 CA PRO A 19 -5.976 14.179 -9.612 1.00 0.00 C ATOM 271 C PRO A 19 -5.385 15.595 -9.590 1.00 0.00 C ATOM 272 O PRO A 19 -5.888 16.478 -8.902 1.00 0.00 O ATOM 273 CB PRO A 19 -7.300 14.082 -8.846 1.00 0.00 C ATOM 274 CG PRO A 19 -6.841 13.772 -7.420 1.00 0.00 C ATOM 275 CD PRO A 19 -5.649 12.844 -7.654 1.00 0.00 C ATOM 0 HA PRO A 19 -6.115 13.948 -10.668 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.866 15.012 -8.896 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.942 13.296 -9.245 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.554 14.674 -6.880 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.625 13.288 -6.837 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.911 12.946 -6.858 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.962 11.800 -7.666 1.00 0.00 H new ATOM 283 N SER A 20 -4.299 15.809 -10.340 1.00 0.00 N ATOM 284 CA SER A 20 -3.530 17.047 -10.352 1.00 0.00 C ATOM 285 C SER A 20 -3.203 17.481 -8.914 1.00 0.00 C ATOM 286 O SER A 20 -3.348 18.640 -8.532 1.00 0.00 O ATOM 287 CB SER A 20 -4.289 18.102 -11.157 1.00 0.00 C ATOM 288 OG SER A 20 -3.424 19.149 -11.558 1.00 0.00 O ATOM 0 H SER A 20 -3.924 15.102 -10.972 1.00 0.00 H new ATOM 0 HA SER A 20 -2.569 16.901 -10.846 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.740 17.640 -12.036 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.103 18.507 -10.557 1.00 0.00 H new ATOM 0 HG SER A 20 -3.930 19.812 -12.073 1.00 0.00 H new ATOM 294 N SER A 21 -2.797 16.505 -8.102 1.00 0.00 N ATOM 295 CA SER A 21 -2.525 16.618 -6.681 1.00 0.00 C ATOM 296 C SER A 21 -1.948 15.272 -6.266 1.00 0.00 C ATOM 297 O SER A 21 -2.424 14.241 -6.739 1.00 0.00 O ATOM 298 CB SER A 21 -3.813 16.913 -5.901 1.00 0.00 C ATOM 299 OG SER A 21 -4.093 18.296 -5.929 1.00 0.00 O ATOM 0 H SER A 21 -2.642 15.558 -8.447 1.00 0.00 H new ATOM 0 HA SER A 21 -1.836 17.436 -6.470 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.645 16.357 -6.334 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.708 16.577 -4.870 1.00 0.00 H new ATOM 0 HG SER A 21 -3.872 18.657 -6.813 1.00 0.00 H new ATOM 305 N SER A 22 -0.929 15.298 -5.405 1.00 0.00 N ATOM 306 CA SER A 22 -0.163 14.123 -5.018 1.00 0.00 C ATOM 307 C SER A 22 0.088 14.202 -3.513 1.00 0.00 C ATOM 308 O SER A 22 -0.485 13.442 -2.734 1.00 0.00 O ATOM 309 CB SER A 22 1.131 14.078 -5.854 1.00 0.00 C ATOM 310 OG SER A 22 0.809 14.134 -7.232 1.00 0.00 O ATOM 0 H SER A 22 -0.611 16.155 -4.952 1.00 0.00 H new ATOM 0 HA SER A 22 -0.697 13.194 -5.216 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.778 14.914 -5.587 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.685 13.165 -5.637 1.00 0.00 H new ATOM 0 HG SER A 22 1.633 14.107 -7.762 1.00 0.00 H new ATOM 316 N SER A 23 0.904 15.173 -3.094 1.00 0.00 N ATOM 317 CA SER A 23 1.096 15.543 -1.703 1.00 0.00 C ATOM 318 C SER A 23 -0.273 15.698 -1.048 1.00 0.00 C ATOM 319 O SER A 23 -0.631 14.998 -0.102 1.00 0.00 O ATOM 320 CB SER A 23 1.839 16.887 -1.706 1.00 0.00 C ATOM 321 OG SER A 23 1.355 17.673 -2.790 1.00 0.00 O ATOM 0 H SER A 23 1.462 15.735 -3.737 1.00 0.00 H new ATOM 0 HA SER A 23 1.663 14.793 -1.152 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.682 17.408 -0.762 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.912 16.725 -1.806 1.00 0.00 H new ATOM 0 HG SER A 23 0.758 18.370 -2.447 1.00 0.00 H new ATOM 327 N ASN A 24 -1.038 16.632 -1.608 1.00 0.00 N ATOM 328 CA ASN A 24 -2.316 17.062 -1.073 1.00 0.00 C ATOM 329 C ASN A 24 -3.348 15.948 -1.142 1.00 0.00 C ATOM 330 O ASN A 24 -4.133 15.808 -0.210 1.00 0.00 O ATOM 331 CB ASN A 24 -2.805 18.337 -1.777 1.00 0.00 C ATOM 332 CG ASN A 24 -1.812 19.492 -1.629 1.00 0.00 C ATOM 333 OD1 ASN A 24 -0.647 19.363 -2.000 1.00 0.00 O ATOM 334 ND2 ASN A 24 -2.253 20.623 -1.083 1.00 0.00 N ATOM 0 H ASN A 24 -0.776 17.118 -2.465 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.176 17.303 -0.019 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.963 18.129 -2.835 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.769 18.633 -1.363 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.619 21.413 -0.963 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.225 20.700 -0.785 1.00 0.00 H new ATOM 341 N TYR A 25 -3.318 15.134 -2.203 1.00 0.00 N ATOM 342 CA TYR A 25 -4.146 13.937 -2.278 1.00 0.00 C ATOM 343 C TYR A 25 -3.922 13.093 -1.030 1.00 0.00 C ATOM 344 O TYR A 25 -4.872 12.720 -0.346 1.00 0.00 O ATOM 345 CB TYR A 25 -3.799 13.117 -3.528 1.00 0.00 C ATOM 346 CG TYR A 25 -4.629 11.857 -3.699 1.00 0.00 C ATOM 347 CD1 TYR A 25 -5.867 11.911 -4.365 1.00 0.00 C ATOM 348 CD2 TYR A 25 -4.158 10.620 -3.213 1.00 0.00 C ATOM 349 CE1 TYR A 25 -6.580 10.727 -4.630 1.00 0.00 C ATOM 350 CE2 TYR A 25 -4.900 9.443 -3.427 1.00 0.00 C ATOM 351 CZ TYR A 25 -6.086 9.491 -4.181 1.00 0.00 C ATOM 352 OH TYR A 25 -6.757 8.347 -4.514 1.00 0.00 O ATOM 0 H TYR A 25 -2.727 15.287 -3.020 1.00 0.00 H new ATOM 0 HA TYR A 25 -5.193 14.234 -2.341 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.929 13.746 -4.409 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.745 12.841 -3.486 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -6.271 12.864 -4.674 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -3.223 10.575 -2.674 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.509 10.769 -5.180 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -4.559 8.505 -3.013 1.00 0.00 H new ATOM 0 HH TYR A 25 -7.389 8.537 -5.238 1.00 0.00 H new ATOM 362 N CYS A 26 -2.655 12.797 -0.736 1.00 0.00 N ATOM 363 CA CYS A 26 -2.363 11.882 0.359 1.00 0.00 C ATOM 364 C CYS A 26 -2.670 12.529 1.706 1.00 0.00 C ATOM 365 O CYS A 26 -3.276 11.912 2.579 1.00 0.00 O ATOM 366 CB CYS A 26 -0.933 11.361 0.333 1.00 0.00 C ATOM 367 SG CYS A 26 -0.770 10.121 1.637 1.00 0.00 S ATOM 0 H CYS A 26 -1.840 13.166 -1.226 1.00 0.00 H new ATOM 0 HA CYS A 26 -3.016 11.020 0.220 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.703 10.925 -0.639 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.227 12.176 0.491 1.00 0.00 H new ATOM 372 N ASN A 27 -2.248 13.786 1.876 1.00 0.00 N ATOM 373 CA ASN A 27 -2.492 14.543 3.096 1.00 0.00 C ATOM 374 C ASN A 27 -3.997 14.587 3.390 1.00 0.00 C ATOM 375 O ASN A 27 -4.435 14.280 4.499 1.00 0.00 O ATOM 376 CB ASN A 27 -1.896 15.951 2.978 1.00 0.00 C ATOM 377 CG ASN A 27 -1.594 16.533 4.356 1.00 0.00 C ATOM 378 OD1 ASN A 27 -2.436 17.182 4.963 1.00 0.00 O ATOM 379 ND2 ASN A 27 -0.380 16.295 4.848 1.00 0.00 N ATOM 0 H ASN A 27 -1.727 14.303 1.167 1.00 0.00 H new ATOM 0 HA ASN A 27 -2.000 14.048 3.933 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -0.981 15.914 2.386 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.592 16.602 2.449 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -0.121 16.659 5.765 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.291 15.749 4.308 1.00 0.00 H new ATOM 386 N LEU A 28 -4.792 14.917 2.367 1.00 0.00 N ATOM 387 CA LEU A 28 -6.245 14.862 2.433 1.00 0.00 C ATOM 388 C LEU A 28 -6.697 13.463 2.841 1.00 0.00 C ATOM 389 O LEU A 28 -7.447 13.334 3.804 1.00 0.00 O ATOM 390 CB LEU A 28 -6.854 15.274 1.085 1.00 0.00 C ATOM 391 CG LEU A 28 -8.375 15.066 1.014 1.00 0.00 C ATOM 392 CD1 LEU A 28 -9.121 15.913 2.053 1.00 0.00 C ATOM 393 CD2 LEU A 28 -8.868 15.431 -0.390 1.00 0.00 C ATOM 0 H LEU A 28 -4.436 15.232 1.465 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.597 15.565 3.188 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.629 16.324 0.899 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.379 14.700 0.289 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.581 14.018 1.232 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.193 15.734 1.966 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.787 15.639 3.054 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.914 16.969 1.878 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -9.947 15.285 -0.446 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.631 16.474 -0.599 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.377 14.793 -1.125 1.00 0.00 H new ATOM 405 N MET A 29 -6.268 12.427 2.114 1.00 0.00 N ATOM 406 CA MET A 29 -6.652 11.053 2.406 1.00 0.00 C ATOM 407 C MET A 29 -6.449 10.739 3.887 1.00 0.00 C ATOM 408 O MET A 29 -7.396 10.352 4.565 1.00 0.00 O ATOM 409 CB MET A 29 -5.877 10.051 1.528 1.00 0.00 C ATOM 410 CG MET A 29 -6.768 9.424 0.453 1.00 0.00 C ATOM 411 SD MET A 29 -7.367 10.538 -0.840 1.00 0.00 S ATOM 412 CE MET A 29 -8.455 9.397 -1.722 1.00 0.00 C ATOM 0 H MET A 29 -5.647 12.522 1.310 1.00 0.00 H new ATOM 0 HA MET A 29 -7.711 10.950 2.171 1.00 0.00 H new ATOM 0 HB2 MET A 29 -5.038 10.559 1.053 1.00 0.00 H new ATOM 0 HB3 MET A 29 -5.459 9.265 2.157 1.00 0.00 H new ATOM 0 HG2 MET A 29 -6.213 8.615 -0.022 1.00 0.00 H new ATOM 0 HG3 MET A 29 -7.631 8.974 0.944 1.00 0.00 H new ATOM 0 HE1 MET A 29 -8.905 9.908 -2.573 1.00 0.00 H new ATOM 0 HE2 MET A 29 -7.877 8.543 -2.076 1.00 0.00 H new ATOM 0 HE3 MET A 29 -9.240 9.050 -1.050 1.00 0.00 H new ATOM 422 N MET A 30 -5.227 10.896 4.398 1.00 0.00 N ATOM 423 CA MET A 30 -4.925 10.487 5.761 1.00 0.00 C ATOM 424 C MET A 30 -5.664 11.356 6.784 1.00 0.00 C ATOM 425 O MET A 30 -6.122 10.840 7.805 1.00 0.00 O ATOM 426 CB MET A 30 -3.411 10.383 5.978 1.00 0.00 C ATOM 427 CG MET A 30 -2.670 11.724 5.967 1.00 0.00 C ATOM 428 SD MET A 30 -2.662 12.575 7.565 1.00 0.00 S ATOM 429 CE MET A 30 -2.003 14.198 7.135 1.00 0.00 C ATOM 0 H MET A 30 -4.440 11.300 3.890 1.00 0.00 H new ATOM 0 HA MET A 30 -5.309 9.480 5.926 1.00 0.00 H new ATOM 0 HB2 MET A 30 -3.227 9.890 6.932 1.00 0.00 H new ATOM 0 HB3 MET A 30 -2.989 9.744 5.202 1.00 0.00 H new ATOM 0 HG2 MET A 30 -1.640 11.556 5.652 1.00 0.00 H new ATOM 0 HG3 MET A 30 -3.129 12.375 5.223 1.00 0.00 H new ATOM 0 HE1 MET A 30 -1.948 14.817 8.030 1.00 0.00 H new ATOM 0 HE2 MET A 30 -1.006 14.085 6.710 1.00 0.00 H new ATOM 0 HE3 MET A 30 -2.657 14.674 6.404 1.00 0.00 H new ATOM 439 N CYS A 31 -5.817 12.654 6.499 1.00 0.00 N ATOM 440 CA CYS A 31 -6.590 13.555 7.344 1.00 0.00 C ATOM 441 C CYS A 31 -8.052 13.105 7.422 1.00 0.00 C ATOM 442 O CYS A 31 -8.609 12.981 8.508 1.00 0.00 O ATOM 443 CB CYS A 31 -6.487 14.987 6.817 1.00 0.00 C ATOM 444 SG CYS A 31 -7.537 16.045 7.837 1.00 0.00 S ATOM 0 H CYS A 31 -5.408 13.102 5.679 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.178 13.527 8.353 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.453 15.331 6.852 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -6.802 15.031 5.775 1.00 0.00 H new ATOM 0 HG CYS A 31 -7.465 17.270 7.409 1.00 0.00 H new ATOM 450 N CYS A 32 -8.660 12.828 6.266 1.00 0.00 N ATOM 451 CA CYS A 32 -10.035 12.355 6.148 1.00 0.00 C ATOM 452 C CYS A 32 -10.213 11.012 6.859 1.00 0.00 C ATOM 453 O CYS A 32 -11.138 10.840 7.650 1.00 0.00 O ATOM 454 CB CYS A 32 -10.409 12.236 4.669 1.00 0.00 C ATOM 455 SG CYS A 32 -12.062 11.514 4.547 1.00 0.00 S ATOM 0 H CYS A 32 -8.194 12.930 5.364 1.00 0.00 H new ATOM 0 HA CYS A 32 -10.698 13.075 6.628 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -10.389 13.217 4.194 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -9.685 11.613 4.145 1.00 0.00 H new ATOM 0 HG CYS A 32 -12.398 11.407 3.296 1.00 0.00 H new ATOM 461 N ARG A 33 -9.303 10.070 6.595 1.00 0.00 N ATOM 462 CA ARG A 33 -9.242 8.781 7.276 1.00 0.00 C ATOM 463 C ARG A 33 -9.127 9.014 8.788 1.00 0.00 C ATOM 464 O ARG A 33 -9.712 8.285 9.584 1.00 0.00 O ATOM 465 CB ARG A 33 -8.063 7.964 6.712 1.00 0.00 C ATOM 466 CG ARG A 33 -8.303 6.448 6.663 1.00 0.00 C ATOM 467 CD ARG A 33 -8.443 5.777 8.032 1.00 0.00 C ATOM 468 NE ARG A 33 -8.700 4.339 7.885 1.00 0.00 N ATOM 469 CZ ARG A 33 -7.791 3.404 7.577 1.00 0.00 C ATOM 470 NH1 ARG A 33 -6.496 3.720 7.459 1.00 0.00 N ATOM 471 NH2 ARG A 33 -8.203 2.147 7.384 1.00 0.00 N ATOM 0 H ARG A 33 -8.577 10.188 5.889 1.00 0.00 H new ATOM 0 HA ARG A 33 -10.151 8.205 7.102 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.842 8.317 5.705 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.179 8.159 7.319 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -9.207 6.256 6.085 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.477 5.980 6.127 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -7.533 5.931 8.612 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.257 6.241 8.588 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.659 4.023 8.031 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -6.191 4.682 7.604 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -5.814 2.999 7.224 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.192 1.915 7.472 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -7.528 1.419 7.149 1.00 0.00 H new ATOM 485 N LYS A 34 -8.379 10.051 9.175 1.00 0.00 N ATOM 486 CA LYS A 34 -8.249 10.525 10.543 1.00 0.00 C ATOM 487 C LYS A 34 -7.420 9.531 11.354 1.00 0.00 C ATOM 488 O LYS A 34 -7.677 9.291 12.532 1.00 0.00 O ATOM 489 CB LYS A 34 -9.632 10.847 11.136 1.00 0.00 C ATOM 490 CG LYS A 34 -9.562 11.852 12.292 1.00 0.00 C ATOM 491 CD LYS A 34 -10.983 12.169 12.773 1.00 0.00 C ATOM 492 CE LYS A 34 -10.958 13.185 13.918 1.00 0.00 C ATOM 493 NZ LYS A 34 -12.322 13.510 14.372 1.00 0.00 N ATOM 0 H LYS A 34 -7.829 10.600 8.514 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.702 11.467 10.573 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.275 11.246 10.352 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.095 9.925 11.489 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.971 11.441 13.111 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.064 12.765 11.966 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.572 12.563 11.945 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.472 11.253 13.105 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.381 12.784 14.751 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.455 14.094 13.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.274 14.201 15.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.864 13.914 13.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.792 12.645 14.707 1.00 0.00 H new ATOM 507 N MET A 35 -6.358 9.009 10.730 1.00 0.00 N ATOM 508 CA MET A 35 -5.341 8.200 11.387 1.00 0.00 C ATOM 509 C MET A 35 -4.176 9.097 11.823 1.00 0.00 C ATOM 510 O MET A 35 -3.028 8.668 11.884 1.00 0.00 O ATOM 511 CB MET A 35 -4.952 7.011 10.497 1.00 0.00 C ATOM 512 CG MET A 35 -4.472 7.360 9.083 1.00 0.00 C ATOM 513 SD MET A 35 -4.178 5.891 8.063 1.00 0.00 S ATOM 514 CE MET A 35 -3.740 6.656 6.489 1.00 0.00 C ATOM 0 H MET A 35 -6.184 9.143 9.734 1.00 0.00 H new ATOM 0 HA MET A 35 -5.727 7.751 12.302 1.00 0.00 H new ATOM 0 HB2 MET A 35 -4.164 6.449 10.999 1.00 0.00 H new ATOM 0 HB3 MET A 35 -5.813 6.348 10.414 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.215 7.992 8.597 1.00 0.00 H new ATOM 0 HG3 MET A 35 -3.553 7.942 9.149 1.00 0.00 H new ATOM 0 HE1 MET A 35 -3.529 5.880 5.753 1.00 0.00 H new ATOM 0 HE2 MET A 35 -4.569 7.271 6.140 1.00 0.00 H new ATOM 0 HE3 MET A 35 -2.856 7.280 6.621 1.00 0.00 H new ATOM 524 N THR A 36 -4.492 10.356 12.134 1.00 0.00 N ATOM 525 CA THR A 36 -3.600 11.395 12.611 1.00 0.00 C ATOM 526 C THR A 36 -3.573 11.422 14.146 1.00 0.00 C ATOM 527 O THR A 36 -3.251 12.446 14.748 1.00 0.00 O ATOM 528 CB THR A 36 -4.158 12.709 12.041 1.00 0.00 C ATOM 529 OG1 THR A 36 -5.570 12.699 12.183 1.00 0.00 O ATOM 530 CG2 THR A 36 -3.847 12.814 10.548 1.00 0.00 C ATOM 0 H THR A 36 -5.451 10.693 12.050 1.00 0.00 H new ATOM 0 HA THR A 36 -2.572 11.228 12.290 1.00 0.00 H new ATOM 0 HB THR A 36 -3.706 13.545 12.574 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.941 13.533 11.825 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.248 13.749 10.158 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.767 12.792 10.399 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.303 11.976 10.021 1.00 0.00 H new ATOM 538 N GLN A 37 -3.954 10.310 14.784 1.00 0.00 N ATOM 539 CA GLN A 37 -4.077 10.206 16.230 1.00 0.00 C ATOM 540 C GLN A 37 -2.782 10.631 16.935 1.00 0.00 C ATOM 541 O GLN A 37 -1.761 9.951 16.856 1.00 0.00 O ATOM 542 CB GLN A 37 -4.556 8.799 16.624 1.00 0.00 C ATOM 543 CG GLN A 37 -3.663 7.648 16.131 1.00 0.00 C ATOM 544 CD GLN A 37 -4.294 6.292 16.429 1.00 0.00 C ATOM 545 OE1 GLN A 37 -4.658 5.554 15.520 1.00 0.00 O ATOM 546 NE2 GLN A 37 -4.434 5.952 17.707 1.00 0.00 N ATOM 0 H GLN A 37 -4.188 9.446 14.295 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.839 10.906 16.574 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.625 8.746 17.711 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.563 8.651 16.233 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.498 7.747 15.058 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.687 7.711 16.611 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.121 6.588 18.441 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.854 5.056 17.953 1.00 0.00 H new ATOM 555 N GLY A 38 -2.813 11.777 17.621 1.00 0.00 N ATOM 556 CA GLY A 38 -1.658 12.328 18.309 1.00 0.00 C ATOM 557 C GLY A 38 -0.691 12.977 17.320 1.00 0.00 C ATOM 558 O GLY A 38 -0.455 14.184 17.392 1.00 0.00 O ATOM 0 H GLY A 38 -3.653 12.349 17.711 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -1.984 13.066 19.042 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.146 11.538 18.859 1.00 0.00 H new ATOM 562 N LYS A 39 -0.127 12.177 16.410 1.00 0.00 N ATOM 563 CA LYS A 39 0.785 12.618 15.366 1.00 0.00 C ATOM 564 C LYS A 39 0.287 12.109 14.014 1.00 0.00 C ATOM 565 O LYS A 39 -0.478 11.147 13.952 1.00 0.00 O ATOM 566 CB LYS A 39 2.214 12.131 15.641 1.00 0.00 C ATOM 567 CG LYS A 39 2.777 12.620 16.988 1.00 0.00 C ATOM 568 CD LYS A 39 2.583 11.631 18.152 1.00 0.00 C ATOM 569 CE LYS A 39 3.439 10.360 18.047 1.00 0.00 C ATOM 570 NZ LYS A 39 4.882 10.658 18.045 1.00 0.00 N ATOM 0 H LYS A 39 -0.303 11.173 16.384 1.00 0.00 H new ATOM 0 HA LYS A 39 0.810 13.708 15.352 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.228 11.041 15.624 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.867 12.471 14.837 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.842 12.822 16.872 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.300 13.565 17.246 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.818 12.138 19.088 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.532 11.345 18.200 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.208 9.699 18.882 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.179 9.824 17.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.419 9.773 18.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.139 11.122 17.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.107 11.290 18.840 1.00 0.00 H new ATOM 584 N CYS A 40 0.730 12.744 12.927 1.00 0.00 N ATOM 585 CA CYS A 40 0.449 12.250 11.585 1.00 0.00 C ATOM 586 C CYS A 40 1.160 10.913 11.367 1.00 0.00 C ATOM 587 O CYS A 40 2.300 10.730 11.790 1.00 0.00 O ATOM 588 CB CYS A 40 0.849 13.270 10.513 1.00 0.00 C ATOM 589 SG CYS A 40 2.628 13.443 10.236 1.00 0.00 S ATOM 0 H CYS A 40 1.284 13.600 12.954 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.626 12.097 11.493 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.377 12.987 9.572 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.445 14.243 10.792 1.00 0.00 H new ATOM 594 N LYS A 41 0.482 9.967 10.713 1.00 0.00 N ATOM 595 CA LYS A 41 1.095 8.721 10.274 1.00 0.00 C ATOM 596 C LYS A 41 2.177 9.071 9.238 1.00 0.00 C ATOM 597 O LYS A 41 1.969 10.028 8.494 1.00 0.00 O ATOM 598 CB LYS A 41 -0.016 7.829 9.694 1.00 0.00 C ATOM 599 CG LYS A 41 0.382 6.354 9.587 1.00 0.00 C ATOM 600 CD LYS A 41 -0.835 5.519 9.173 1.00 0.00 C ATOM 601 CE LYS A 41 -0.536 4.016 9.187 1.00 0.00 C ATOM 602 NZ LYS A 41 -0.304 3.515 10.554 1.00 0.00 N ATOM 0 H LYS A 41 -0.507 10.048 10.475 1.00 0.00 H new ATOM 0 HA LYS A 41 1.573 8.175 11.087 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.904 7.914 10.321 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.288 8.197 8.705 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.182 6.235 8.856 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.769 6.001 10.543 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.665 5.729 9.848 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.154 5.815 8.174 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.370 3.476 8.739 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.341 3.815 8.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.291 2.475 10.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.609 3.870 10.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.066 3.846 11.179 1.00 0.00 H new ATOM 616 N PRO A 42 3.316 8.360 9.164 1.00 0.00 N ATOM 617 CA PRO A 42 4.453 8.796 8.355 1.00 0.00 C ATOM 618 C PRO A 42 4.414 8.383 6.873 1.00 0.00 C ATOM 619 O PRO A 42 4.771 9.187 6.011 1.00 0.00 O ATOM 620 CB PRO A 42 5.681 8.204 9.053 1.00 0.00 C ATOM 621 CG PRO A 42 5.147 6.928 9.699 1.00 0.00 C ATOM 622 CD PRO A 42 3.735 7.340 10.116 1.00 0.00 C ATOM 0 HA PRO A 42 4.454 9.885 8.302 1.00 0.00 H new ATOM 0 HB2 PRO A 42 6.481 7.990 8.344 1.00 0.00 H new ATOM 0 HB3 PRO A 42 6.089 8.889 9.796 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.137 6.092 9.000 1.00 0.00 H new ATOM 0 HG3 PRO A 42 5.750 6.622 10.554 1.00 0.00 H new ATOM 0 HD2 PRO A 42 3.058 6.486 10.096 1.00 0.00 H new ATOM 0 HD3 PRO A 42 3.727 7.730 11.134 1.00 0.00 H new ATOM 630 N VAL A 43 4.074 7.122 6.572 1.00 0.00 N ATOM 631 CA VAL A 43 4.240 6.512 5.249 1.00 0.00 C ATOM 632 C VAL A 43 3.098 5.523 4.983 1.00 0.00 C ATOM 633 O VAL A 43 2.570 4.940 5.929 1.00 0.00 O ATOM 634 CB VAL A 43 5.616 5.809 5.188 1.00 0.00 C ATOM 635 CG1 VAL A 43 5.716 4.696 4.131 1.00 0.00 C ATOM 636 CG2 VAL A 43 6.756 6.799 4.913 1.00 0.00 C ATOM 0 H VAL A 43 3.667 6.486 7.257 1.00 0.00 H new ATOM 0 HA VAL A 43 4.204 7.279 4.475 1.00 0.00 H new ATOM 0 HB VAL A 43 5.714 5.360 6.176 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.714 4.258 4.157 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.975 3.925 4.343 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.530 5.115 3.142 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.704 6.262 4.879 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.585 7.295 3.957 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.790 7.544 5.707 1.00 0.00 H new ATOM 646 N ASN A 44 2.747 5.312 3.705 1.00 0.00 N ATOM 647 CA ASN A 44 1.865 4.236 3.250 1.00 0.00 C ATOM 648 C ASN A 44 2.063 4.046 1.740 1.00 0.00 C ATOM 649 O ASN A 44 2.666 4.907 1.105 1.00 0.00 O ATOM 650 CB ASN A 44 0.403 4.574 3.573 1.00 0.00 C ATOM 651 CG ASN A 44 -0.542 3.381 3.438 1.00 0.00 C ATOM 652 OD1 ASN A 44 -0.118 2.240 3.248 1.00 0.00 O ATOM 653 ND2 ASN A 44 -1.835 3.653 3.564 1.00 0.00 N ATOM 0 H ASN A 44 3.080 5.903 2.943 1.00 0.00 H new ATOM 0 HA ASN A 44 2.112 3.308 3.766 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.344 4.961 4.590 1.00 0.00 H new ATOM 0 HB3 ASN A 44 0.067 5.371 2.909 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -2.522 2.902 3.504 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -2.141 4.613 3.721 1.00 0.00 H new ATOM 660 N THR A 45 1.561 2.961 1.143 1.00 0.00 N ATOM 661 CA THR A 45 1.682 2.722 -0.295 1.00 0.00 C ATOM 662 C THR A 45 0.307 2.447 -0.897 1.00 0.00 C ATOM 663 O THR A 45 -0.161 1.310 -0.907 1.00 0.00 O ATOM 664 CB THR A 45 2.712 1.617 -0.587 1.00 0.00 C ATOM 665 OG1 THR A 45 3.887 1.819 0.176 1.00 0.00 O ATOM 666 CG2 THR A 45 3.074 1.546 -2.072 1.00 0.00 C ATOM 0 H THR A 45 1.061 2.226 1.643 1.00 0.00 H new ATOM 0 HA THR A 45 2.066 3.619 -0.782 1.00 0.00 H new ATOM 0 HB THR A 45 2.250 0.670 -0.306 1.00 0.00 H new ATOM 0 HG1 THR A 45 4.390 2.576 -0.192 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.804 0.752 -2.231 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.177 1.337 -2.655 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.499 2.498 -2.389 1.00 0.00 H new ATOM 674 N PHE A 46 -0.335 3.498 -1.414 1.00 0.00 N ATOM 675 CA PHE A 46 -1.687 3.406 -1.933 1.00 0.00 C ATOM 676 C PHE A 46 -1.663 2.785 -3.322 1.00 0.00 C ATOM 677 O PHE A 46 -1.318 3.448 -4.297 1.00 0.00 O ATOM 678 CB PHE A 46 -2.350 4.785 -1.916 1.00 0.00 C ATOM 679 CG PHE A 46 -2.575 5.322 -0.516 1.00 0.00 C ATOM 680 CD1 PHE A 46 -3.622 4.808 0.270 1.00 0.00 C ATOM 681 CD2 PHE A 46 -1.695 6.269 0.038 1.00 0.00 C ATOM 682 CE1 PHE A 46 -3.870 5.325 1.553 1.00 0.00 C ATOM 683 CE2 PHE A 46 -1.910 6.745 1.344 1.00 0.00 C ATOM 684 CZ PHE A 46 -3.029 6.320 2.079 1.00 0.00 C ATOM 0 H PHE A 46 0.073 4.430 -1.481 1.00 0.00 H new ATOM 0 HA PHE A 46 -2.288 2.756 -1.297 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -1.728 5.487 -2.472 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.307 4.727 -2.434 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.240 4.010 -0.115 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.856 6.630 -0.538 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.704 4.959 2.133 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.211 7.441 1.784 1.00 0.00 H new ATOM 0 HZ PHE A 46 -3.242 6.756 3.044 1.00 0.00 H new ATOM 694 N VAL A 47 -2.024 1.505 -3.423 1.00 0.00 N ATOM 695 CA VAL A 47 -2.147 0.838 -4.710 1.00 0.00 C ATOM 696 C VAL A 47 -3.190 1.571 -5.567 1.00 0.00 C ATOM 697 O VAL A 47 -4.190 2.072 -5.043 1.00 0.00 O ATOM 698 CB VAL A 47 -2.486 -0.655 -4.523 1.00 0.00 C ATOM 699 CG1 VAL A 47 -2.345 -1.403 -5.856 1.00 0.00 C ATOM 700 CG2 VAL A 47 -1.579 -1.341 -3.489 1.00 0.00 C ATOM 0 H VAL A 47 -2.236 0.911 -2.621 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.193 0.876 -5.235 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.514 -0.694 -4.162 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.587 -2.456 -5.710 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.027 -0.972 -6.589 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.320 -1.313 -6.217 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.861 -2.390 -3.397 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.541 -1.272 -3.813 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.691 -0.849 -2.523 1.00 0.00 H new ATOM 710 N HIS A 48 -2.951 1.645 -6.879 1.00 0.00 N ATOM 711 CA HIS A 48 -3.873 2.175 -7.873 1.00 0.00 C ATOM 712 C HIS A 48 -4.112 1.092 -8.928 1.00 0.00 C ATOM 713 O HIS A 48 -3.758 1.253 -10.093 1.00 0.00 O ATOM 714 CB HIS A 48 -3.291 3.466 -8.463 1.00 0.00 C ATOM 715 CG HIS A 48 -4.157 4.117 -9.515 1.00 0.00 C ATOM 716 ND1 HIS A 48 -4.080 3.881 -10.872 1.00 0.00 N ATOM 717 CD2 HIS A 48 -5.156 5.023 -9.300 1.00 0.00 C ATOM 718 CE1 HIS A 48 -4.999 4.655 -11.478 1.00 0.00 C ATOM 719 NE2 HIS A 48 -5.658 5.363 -10.541 1.00 0.00 N ATOM 0 H HIS A 48 -2.074 1.323 -7.288 1.00 0.00 H new ATOM 0 HA HIS A 48 -4.836 2.434 -7.433 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -3.125 4.178 -7.655 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -2.316 3.245 -8.898 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -5.489 5.401 -8.345 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -5.179 4.701 -12.542 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -6.403 6.037 -10.718 1.00 0.00 H new ATOM 728 N GLU A 49 -4.714 -0.024 -8.508 1.00 0.00 N ATOM 729 CA GLU A 49 -5.218 -1.076 -9.374 1.00 0.00 C ATOM 730 C GLU A 49 -6.451 -1.648 -8.677 1.00 0.00 C ATOM 731 O GLU A 49 -6.596 -1.485 -7.465 1.00 0.00 O ATOM 732 CB GLU A 49 -4.175 -2.188 -9.568 1.00 0.00 C ATOM 733 CG GLU A 49 -2.815 -1.729 -10.122 1.00 0.00 C ATOM 734 CD GLU A 49 -2.859 -1.112 -11.518 1.00 0.00 C ATOM 735 OE1 GLU A 49 -3.863 -1.345 -12.227 1.00 0.00 O ATOM 736 OE2 GLU A 49 -1.856 -0.445 -11.861 1.00 0.00 O ATOM 0 H GLU A 49 -4.866 -0.220 -7.519 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.451 -0.677 -10.361 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.010 -2.679 -8.609 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.589 -2.937 -10.243 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.387 -1.001 -9.433 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.140 -2.585 -10.141 1.00 0.00 H new ATOM 743 N SER A 50 -7.329 -2.310 -9.429 1.00 0.00 N ATOM 744 CA SER A 50 -8.531 -2.934 -8.905 1.00 0.00 C ATOM 745 C SER A 50 -8.199 -3.920 -7.781 1.00 0.00 C ATOM 746 O SER A 50 -7.274 -4.721 -7.911 1.00 0.00 O ATOM 747 CB SER A 50 -9.232 -3.642 -10.068 1.00 0.00 C ATOM 748 OG SER A 50 -9.180 -2.806 -11.211 1.00 0.00 O ATOM 0 H SER A 50 -7.218 -2.427 -10.436 1.00 0.00 H new ATOM 0 HA SER A 50 -9.187 -2.178 -8.473 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.747 -4.596 -10.276 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.268 -3.861 -9.807 1.00 0.00 H new ATOM 0 HG SER A 50 -9.625 -3.251 -11.962 1.00 0.00 H new ATOM 754 N LEU A 51 -8.974 -3.900 -6.693 1.00 0.00 N ATOM 755 CA LEU A 51 -8.767 -4.796 -5.555 1.00 0.00 C ATOM 756 C LEU A 51 -8.703 -6.271 -5.975 1.00 0.00 C ATOM 757 O LEU A 51 -7.899 -7.043 -5.453 1.00 0.00 O ATOM 758 CB LEU A 51 -9.810 -4.501 -4.465 1.00 0.00 C ATOM 759 CG LEU A 51 -11.245 -4.976 -4.761 1.00 0.00 C ATOM 760 CD1 LEU A 51 -11.502 -6.388 -4.210 1.00 0.00 C ATOM 761 CD2 LEU A 51 -12.248 -4.022 -4.101 1.00 0.00 C ATOM 0 H LEU A 51 -9.762 -3.262 -6.578 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.786 -4.599 -5.123 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.478 -4.966 -3.537 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.832 -3.425 -4.292 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.367 -4.989 -5.844 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -12.525 -6.687 -4.439 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.807 -7.090 -4.670 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -11.357 -6.389 -3.130 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -13.263 -4.359 -4.311 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -12.085 -4.011 -3.023 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.110 -3.017 -4.499 1.00 0.00 H new ATOM 773 N ALA A 52 -9.510 -6.660 -6.968 1.00 0.00 N ATOM 774 CA ALA A 52 -9.454 -7.989 -7.560 1.00 0.00 C ATOM 775 C ALA A 52 -8.032 -8.332 -8.015 1.00 0.00 C ATOM 776 O ALA A 52 -7.566 -9.449 -7.806 1.00 0.00 O ATOM 777 CB ALA A 52 -10.441 -8.074 -8.727 1.00 0.00 C ATOM 0 H ALA A 52 -10.220 -6.056 -7.381 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.738 -8.722 -6.805 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -10.397 -9.070 -9.169 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.451 -7.882 -8.364 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.179 -7.331 -9.480 1.00 0.00 H new ATOM 783 N ASP A 53 -7.333 -7.362 -8.611 1.00 0.00 N ATOM 784 CA ASP A 53 -5.936 -7.505 -8.985 1.00 0.00 C ATOM 785 C ASP A 53 -5.059 -7.725 -7.758 1.00 0.00 C ATOM 786 O ASP A 53 -4.244 -8.641 -7.746 1.00 0.00 O ATOM 787 CB ASP A 53 -5.458 -6.297 -9.803 1.00 0.00 C ATOM 788 CG ASP A 53 -4.388 -6.714 -10.806 1.00 0.00 C ATOM 789 OD1 ASP A 53 -4.779 -7.129 -11.918 1.00 0.00 O ATOM 790 OD2 ASP A 53 -3.198 -6.616 -10.436 1.00 0.00 O ATOM 0 H ASP A 53 -7.729 -6.452 -8.846 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.847 -8.389 -9.617 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.302 -5.851 -10.329 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.059 -5.534 -9.135 1.00 0.00 H new ATOM 795 N VAL A 54 -5.233 -6.904 -6.718 1.00 0.00 N ATOM 796 CA VAL A 54 -4.474 -7.043 -5.475 1.00 0.00 C ATOM 797 C VAL A 54 -4.626 -8.468 -4.927 1.00 0.00 C ATOM 798 O VAL A 54 -3.650 -9.080 -4.493 1.00 0.00 O ATOM 799 CB VAL A 54 -4.900 -5.966 -4.457 1.00 0.00 C ATOM 800 CG1 VAL A 54 -4.218 -6.168 -3.097 1.00 0.00 C ATOM 801 CG2 VAL A 54 -4.565 -4.566 -4.985 1.00 0.00 C ATOM 0 H VAL A 54 -5.899 -6.131 -6.715 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.414 -6.883 -5.674 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.977 -6.061 -4.321 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.544 -5.389 -2.407 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.489 -7.145 -2.696 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.136 -6.114 -3.221 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.872 -3.818 -4.254 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.491 -4.488 -5.154 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.093 -4.395 -5.923 1.00 0.00 H new ATOM 811 N LYS A 55 -5.842 -9.018 -4.973 1.00 0.00 N ATOM 812 CA LYS A 55 -6.062 -10.411 -4.611 1.00 0.00 C ATOM 813 C LYS A 55 -5.324 -11.346 -5.575 1.00 0.00 C ATOM 814 O LYS A 55 -4.536 -12.180 -5.135 1.00 0.00 O ATOM 815 CB LYS A 55 -7.574 -10.714 -4.534 1.00 0.00 C ATOM 816 CG LYS A 55 -8.042 -11.173 -3.141 1.00 0.00 C ATOM 817 CD LYS A 55 -8.294 -12.687 -3.036 1.00 0.00 C ATOM 818 CE LYS A 55 -7.066 -13.574 -3.276 1.00 0.00 C ATOM 819 NZ LYS A 55 -5.987 -13.307 -2.311 1.00 0.00 N ATOM 0 H LYS A 55 -6.684 -8.517 -5.257 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.647 -10.591 -3.619 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.130 -9.820 -4.818 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.818 -11.487 -5.263 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.291 -10.887 -2.404 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.959 -10.643 -2.884 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.691 -12.905 -2.044 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.066 -12.961 -3.755 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.359 -14.622 -3.210 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.694 -13.410 -4.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.439 -14.177 -2.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.361 -12.566 -2.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.398 -12.989 -1.410 1.00 0.00 H new ATOM 833 N ALA A 56 -5.569 -11.214 -6.882 1.00 0.00 N ATOM 834 CA ALA A 56 -4.963 -12.060 -7.905 1.00 0.00 C ATOM 835 C ALA A 56 -3.451 -12.176 -7.706 1.00 0.00 C ATOM 836 O ALA A 56 -2.919 -13.281 -7.678 1.00 0.00 O ATOM 837 CB ALA A 56 -5.298 -11.529 -9.302 1.00 0.00 C ATOM 0 H ALA A 56 -6.201 -10.508 -7.260 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.381 -13.062 -7.810 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.839 -12.170 -10.055 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.379 -11.524 -9.440 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.914 -10.514 -9.407 1.00 0.00 H new ATOM 843 N VAL A 57 -2.778 -11.037 -7.523 1.00 0.00 N ATOM 844 CA VAL A 57 -1.353 -10.926 -7.230 1.00 0.00 C ATOM 845 C VAL A 57 -0.931 -11.916 -6.145 1.00 0.00 C ATOM 846 O VAL A 57 0.008 -12.690 -6.332 1.00 0.00 O ATOM 847 CB VAL A 57 -1.048 -9.476 -6.826 1.00 0.00 C ATOM 848 CG1 VAL A 57 0.355 -9.301 -6.226 1.00 0.00 C ATOM 849 CG2 VAL A 57 -1.161 -8.552 -8.046 1.00 0.00 C ATOM 0 H VAL A 57 -3.236 -10.127 -7.578 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.775 -11.179 -8.119 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.781 -9.215 -6.063 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.510 -8.255 -5.961 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.449 -9.919 -5.333 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.104 -9.604 -6.957 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.943 -7.527 -7.747 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.449 -8.867 -8.808 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.172 -8.605 -8.450 1.00 0.00 H new ATOM 859 N CYS A 58 -1.633 -11.911 -5.010 1.00 0.00 N ATOM 860 CA CYS A 58 -1.321 -12.818 -3.911 1.00 0.00 C ATOM 861 C CYS A 58 -1.336 -14.279 -4.364 1.00 0.00 C ATOM 862 O CYS A 58 -0.566 -15.095 -3.864 1.00 0.00 O ATOM 863 CB CYS A 58 -2.314 -12.626 -2.772 1.00 0.00 C ATOM 864 SG CYS A 58 -1.947 -13.658 -1.342 1.00 0.00 S ATOM 0 H CYS A 58 -2.421 -11.288 -4.831 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.315 -12.580 -3.564 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -2.313 -11.579 -2.468 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -3.318 -12.853 -3.130 1.00 0.00 H new ATOM 869 N SER A 59 -2.192 -14.602 -5.334 1.00 0.00 N ATOM 870 CA SER A 59 -2.349 -15.944 -5.864 1.00 0.00 C ATOM 871 C SER A 59 -1.680 -16.095 -7.232 1.00 0.00 C ATOM 872 O SER A 59 -2.075 -16.966 -8.005 1.00 0.00 O ATOM 873 CB SER A 59 -3.847 -16.252 -5.950 1.00 0.00 C ATOM 874 OG SER A 59 -4.463 -16.048 -4.689 1.00 0.00 O ATOM 0 H SER A 59 -2.805 -13.919 -5.778 1.00 0.00 H new ATOM 0 HA SER A 59 -1.857 -16.654 -5.199 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.315 -15.613 -6.699 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.996 -17.282 -6.273 1.00 0.00 H new ATOM 0 HG SER A 59 -5.420 -16.246 -4.757 1.00 0.00 H new ATOM 880 N GLN A 60 -0.685 -15.258 -7.542 1.00 0.00 N ATOM 881 CA GLN A 60 -0.069 -15.221 -8.862 1.00 0.00 C ATOM 882 C GLN A 60 1.083 -16.220 -8.929 1.00 0.00 C ATOM 883 O GLN A 60 0.981 -17.248 -9.594 1.00 0.00 O ATOM 884 CB GLN A 60 0.332 -13.776 -9.184 1.00 0.00 C ATOM 885 CG GLN A 60 0.731 -13.531 -10.644 1.00 0.00 C ATOM 886 CD GLN A 60 2.126 -14.032 -11.001 1.00 0.00 C ATOM 887 OE1 GLN A 60 2.284 -14.847 -11.903 1.00 0.00 O ATOM 888 NE2 GLN A 60 3.153 -13.532 -10.323 1.00 0.00 N ATOM 0 H GLN A 60 -0.288 -14.589 -6.882 1.00 0.00 H new ATOM 0 HA GLN A 60 -0.772 -15.532 -9.635 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.500 -13.118 -8.934 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.166 -13.493 -8.542 1.00 0.00 H new ATOM 0 HG2 GLN A 60 0.004 -14.018 -11.294 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.677 -12.462 -10.850 1.00 0.00 H new ATOM 0 HE21 GLN A 60 2.991 -12.855 -9.577 1.00 0.00 H new ATOM 0 HE22 GLN A 60 4.104 -13.825 -10.548 1.00 0.00 H new ATOM 897 N LYS A 61 2.180 -15.915 -8.238 1.00 0.00 N ATOM 898 CA LYS A 61 3.345 -16.779 -8.173 1.00 0.00 C ATOM 899 C LYS A 61 4.132 -16.437 -6.913 1.00 0.00 C ATOM 900 O LYS A 61 4.409 -15.265 -6.657 1.00 0.00 O ATOM 901 CB LYS A 61 4.217 -16.598 -9.428 1.00 0.00 C ATOM 902 CG LYS A 61 5.238 -17.729 -9.634 1.00 0.00 C ATOM 903 CD LYS A 61 4.620 -19.050 -10.123 1.00 0.00 C ATOM 904 CE LYS A 61 4.079 -18.945 -11.557 1.00 0.00 C ATOM 905 NZ LYS A 61 3.614 -20.252 -12.052 1.00 0.00 N ATOM 0 H LYS A 61 2.281 -15.052 -7.704 1.00 0.00 H new ATOM 0 HA LYS A 61 3.033 -17.823 -8.135 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.571 -16.538 -10.304 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.748 -15.648 -9.358 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.987 -17.401 -10.355 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.759 -17.910 -8.694 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.371 -19.839 -10.077 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.811 -19.340 -9.452 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.257 -18.230 -11.586 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.859 -18.561 -12.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.255 -20.148 -13.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.405 -20.927 -12.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.853 -20.605 -11.437 1.00 0.00 H new ATOM 919 N LYS A 62 4.482 -17.465 -6.138 1.00 0.00 N ATOM 920 CA LYS A 62 5.390 -17.342 -5.012 1.00 0.00 C ATOM 921 C LYS A 62 6.766 -16.925 -5.533 1.00 0.00 C ATOM 922 O LYS A 62 7.224 -17.464 -6.541 1.00 0.00 O ATOM 923 CB LYS A 62 5.442 -18.689 -4.273 1.00 0.00 C ATOM 924 CG LYS A 62 6.390 -18.680 -3.064 1.00 0.00 C ATOM 925 CD LYS A 62 7.762 -19.306 -3.347 1.00 0.00 C ATOM 926 CE LYS A 62 7.708 -20.835 -3.443 1.00 0.00 C ATOM 927 NZ LYS A 62 9.054 -21.395 -3.663 1.00 0.00 N ATOM 0 H LYS A 62 4.136 -18.414 -6.282 1.00 0.00 H new ATOM 0 HA LYS A 62 5.049 -16.581 -4.310 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.439 -18.951 -3.938 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.759 -19.466 -4.969 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.532 -17.651 -2.733 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.919 -19.217 -2.241 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.156 -18.902 -4.279 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.457 -19.020 -2.557 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.284 -21.246 -2.527 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.049 -21.129 -4.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.993 -22.431 -3.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.446 -21.018 -4.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.674 -21.131 -2.870 1.00 0.00 H new ATOM 941 N VAL A 63 7.419 -15.984 -4.850 1.00 0.00 N ATOM 942 CA VAL A 63 8.794 -15.589 -5.126 1.00 0.00 C ATOM 943 C VAL A 63 9.626 -15.787 -3.853 1.00 0.00 C ATOM 944 O VAL A 63 9.535 -16.846 -3.235 1.00 0.00 O ATOM 945 CB VAL A 63 8.827 -14.173 -5.742 1.00 0.00 C ATOM 946 CG1 VAL A 63 8.229 -14.203 -7.154 1.00 0.00 C ATOM 947 CG2 VAL A 63 8.069 -13.129 -4.907 1.00 0.00 C ATOM 0 H VAL A 63 6.997 -15.469 -4.077 1.00 0.00 H new ATOM 0 HA VAL A 63 9.258 -16.220 -5.884 1.00 0.00 H new ATOM 0 HB VAL A 63 9.875 -13.875 -5.767 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.256 -13.201 -7.582 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.809 -14.881 -7.780 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.197 -14.549 -7.105 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.132 -12.157 -5.396 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.023 -13.424 -4.818 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.514 -13.065 -3.914 1.00 0.00 H new ATOM 957 N THR A 64 10.422 -14.791 -3.460 1.00 0.00 N ATOM 958 CA THR A 64 11.156 -14.756 -2.206 1.00 0.00 C ATOM 959 C THR A 64 11.020 -13.320 -1.709 1.00 0.00 C ATOM 960 O THR A 64 11.210 -12.403 -2.509 1.00 0.00 O ATOM 961 CB THR A 64 12.624 -15.120 -2.463 1.00 0.00 C ATOM 962 OG1 THR A 64 12.716 -16.293 -3.247 1.00 0.00 O ATOM 963 CG2 THR A 64 13.391 -15.342 -1.156 1.00 0.00 C ATOM 0 H THR A 64 10.575 -13.960 -4.031 1.00 0.00 H new ATOM 0 HA THR A 64 10.777 -15.466 -1.471 1.00 0.00 H new ATOM 0 HB THR A 64 13.070 -14.279 -2.995 1.00 0.00 H new ATOM 0 HG1 THR A 64 13.659 -16.509 -3.402 1.00 0.00 H new ATOM 0 HG21 THR A 64 14.426 -15.598 -1.381 1.00 0.00 H new ATOM 0 HG22 THR A 64 13.364 -14.431 -0.559 1.00 0.00 H new ATOM 0 HG23 THR A 64 12.929 -16.156 -0.597 1.00 0.00 H new ATOM 971 N CYS A 65 10.678 -13.085 -0.438 1.00 0.00 N ATOM 972 CA CYS A 65 10.681 -11.725 0.073 1.00 0.00 C ATOM 973 C CYS A 65 12.113 -11.192 0.074 1.00 0.00 C ATOM 974 O CYS A 65 13.059 -11.963 0.222 1.00 0.00 O ATOM 975 CB CYS A 65 10.124 -11.687 1.492 1.00 0.00 C ATOM 976 SG CYS A 65 8.401 -12.177 1.734 1.00 0.00 S ATOM 0 H CYS A 65 10.404 -13.802 0.234 1.00 0.00 H new ATOM 0 HA CYS A 65 10.053 -11.105 -0.566 1.00 0.00 H new ATOM 0 HB2 CYS A 65 10.746 -12.331 2.113 1.00 0.00 H new ATOM 0 HB3 CYS A 65 10.240 -10.671 1.870 1.00 0.00 H new ATOM 981 N LYS A 66 12.271 -9.871 -0.036 1.00 0.00 N ATOM 982 CA LYS A 66 13.577 -9.213 -0.088 1.00 0.00 C ATOM 983 C LYS A 66 14.486 -9.687 1.049 1.00 0.00 C ATOM 984 O LYS A 66 15.640 -10.039 0.821 1.00 0.00 O ATOM 985 CB LYS A 66 13.404 -7.685 -0.041 1.00 0.00 C ATOM 986 CG LYS A 66 13.545 -7.019 -1.415 1.00 0.00 C ATOM 987 CD LYS A 66 12.522 -7.511 -2.446 1.00 0.00 C ATOM 988 CE LYS A 66 12.634 -6.642 -3.706 1.00 0.00 C ATOM 989 NZ LYS A 66 11.644 -7.024 -4.725 1.00 0.00 N ATOM 0 H LYS A 66 11.486 -9.222 -0.092 1.00 0.00 H new ATOM 0 HA LYS A 66 14.055 -9.485 -1.029 1.00 0.00 H new ATOM 0 HB2 LYS A 66 12.423 -7.449 0.371 1.00 0.00 H new ATOM 0 HB3 LYS A 66 14.145 -7.263 0.638 1.00 0.00 H new ATOM 0 HG2 LYS A 66 13.440 -5.940 -1.299 1.00 0.00 H new ATOM 0 HG3 LYS A 66 14.549 -7.203 -1.797 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.706 -8.557 -2.691 1.00 0.00 H new ATOM 0 HD3 LYS A 66 11.514 -7.453 -2.035 1.00 0.00 H new ATOM 0 HE2 LYS A 66 12.494 -5.595 -3.438 1.00 0.00 H new ATOM 0 HE3 LYS A 66 13.637 -6.733 -4.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.299 -6.171 -5.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 12.087 -7.661 -5.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.846 -7.510 -4.269 1.00 0.00 H new ATOM 1003 N ASP A 67 13.953 -9.707 2.274 1.00 0.00 N ATOM 1004 CA ASP A 67 14.706 -10.099 3.462 1.00 0.00 C ATOM 1005 C ASP A 67 14.629 -11.603 3.745 1.00 0.00 C ATOM 1006 O ASP A 67 14.956 -12.031 4.847 1.00 0.00 O ATOM 1007 CB ASP A 67 14.247 -9.264 4.666 1.00 0.00 C ATOM 1008 CG ASP A 67 15.425 -8.699 5.454 1.00 0.00 C ATOM 1009 OD1 ASP A 67 16.034 -7.733 4.944 1.00 0.00 O ATOM 1010 OD2 ASP A 67 15.690 -9.235 6.551 1.00 0.00 O ATOM 0 H ASP A 67 12.985 -9.451 2.467 1.00 0.00 H new ATOM 0 HA ASP A 67 15.760 -9.893 3.273 1.00 0.00 H new ATOM 0 HB2 ASP A 67 13.617 -8.445 4.320 1.00 0.00 H new ATOM 0 HB3 ASP A 67 13.635 -9.882 5.323 1.00 0.00 H new ATOM 1015 N GLY A 68 14.140 -12.406 2.792 1.00 0.00 N ATOM 1016 CA GLY A 68 13.849 -13.816 3.025 1.00 0.00 C ATOM 1017 C GLY A 68 12.856 -14.010 4.175 1.00 0.00 C ATOM 1018 O GLY A 68 12.860 -15.044 4.835 1.00 0.00 O ATOM 0 H GLY A 68 13.937 -12.093 1.843 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.443 -14.258 2.115 1.00 0.00 H new ATOM 0 HA3 GLY A 68 14.775 -14.346 3.251 1.00 0.00 H new ATOM 1022 N GLN A 69 11.998 -13.010 4.411 1.00 0.00 N ATOM 1023 CA GLN A 69 11.058 -12.987 5.523 1.00 0.00 C ATOM 1024 C GLN A 69 10.096 -14.168 5.428 1.00 0.00 C ATOM 1025 O GLN A 69 9.781 -14.802 6.433 1.00 0.00 O ATOM 1026 CB GLN A 69 10.316 -11.643 5.509 1.00 0.00 C ATOM 1027 CG GLN A 69 9.562 -11.329 6.811 1.00 0.00 C ATOM 1028 CD GLN A 69 8.098 -11.765 6.794 1.00 0.00 C ATOM 1029 OE1 GLN A 69 7.217 -10.975 6.477 1.00 0.00 O ATOM 1030 NE2 GLN A 69 7.810 -13.016 7.137 1.00 0.00 N ATOM 0 H GLN A 69 11.942 -12.181 3.819 1.00 0.00 H new ATOM 0 HA GLN A 69 11.589 -13.084 6.470 1.00 0.00 H new ATOM 0 HB2 GLN A 69 11.034 -10.846 5.316 1.00 0.00 H new ATOM 0 HB3 GLN A 69 9.607 -11.640 4.681 1.00 0.00 H new ATOM 0 HG2 GLN A 69 10.069 -11.821 7.641 1.00 0.00 H new ATOM 0 HG3 GLN A 69 9.610 -10.256 6.999 1.00 0.00 H new ATOM 0 HE21 GLN A 69 8.558 -13.658 7.398 1.00 0.00 H new ATOM 0 HE22 GLN A 69 6.841 -13.334 7.139 1.00 0.00 H new ATOM 1039 N THR A 70 9.600 -14.408 4.215 1.00 0.00 N ATOM 1040 CA THR A 70 8.711 -15.495 3.857 1.00 0.00 C ATOM 1041 C THR A 70 8.668 -15.587 2.335 1.00 0.00 C ATOM 1042 O THR A 70 9.579 -15.115 1.647 1.00 0.00 O ATOM 1043 CB THR A 70 7.325 -15.291 4.502 1.00 0.00 C ATOM 1044 OG1 THR A 70 6.448 -16.376 4.264 1.00 0.00 O ATOM 1045 CG2 THR A 70 6.626 -13.987 4.101 1.00 0.00 C ATOM 0 H THR A 70 9.824 -13.813 3.418 1.00 0.00 H new ATOM 0 HA THR A 70 9.074 -16.448 4.242 1.00 0.00 H new ATOM 0 HB THR A 70 7.547 -15.230 5.567 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.966 -17.205 4.190 1.00 0.00 H new ATOM 0 HG21 THR A 70 5.659 -13.925 4.599 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.242 -13.138 4.397 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.479 -13.970 3.021 1.00 0.00 H new ATOM 1053 N ASN A 71 7.588 -16.183 1.836 1.00 0.00 N ATOM 1054 CA ASN A 71 7.383 -16.504 0.446 1.00 0.00 C ATOM 1055 C ASN A 71 7.402 -15.237 -0.398 1.00 0.00 C ATOM 1056 O ASN A 71 8.246 -15.059 -1.268 1.00 0.00 O ATOM 1057 CB ASN A 71 6.027 -17.216 0.281 1.00 0.00 C ATOM 1058 CG ASN A 71 6.035 -18.685 0.693 1.00 0.00 C ATOM 1059 OD1 ASN A 71 7.046 -19.228 1.124 1.00 0.00 O ATOM 1060 ND2 ASN A 71 4.890 -19.348 0.563 1.00 0.00 N ATOM 0 H ASN A 71 6.803 -16.463 2.424 1.00 0.00 H new ATOM 0 HA ASN A 71 8.186 -17.160 0.111 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.279 -16.689 0.873 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.717 -17.145 -0.762 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.838 -20.333 0.825 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.063 -18.872 0.202 1.00 0.00 H new ATOM 1067 N CYS A 72 6.430 -14.368 -0.132 1.00 0.00 N ATOM 1068 CA CYS A 72 6.080 -13.228 -0.962 1.00 0.00 C ATOM 1069 C CYS A 72 5.560 -13.657 -2.333 1.00 0.00 C ATOM 1070 O CYS A 72 5.832 -14.759 -2.813 1.00 0.00 O ATOM 1071 CB CYS A 72 7.182 -12.168 -1.082 1.00 0.00 C ATOM 1072 SG CYS A 72 7.353 -11.068 0.335 1.00 0.00 S ATOM 0 H CYS A 72 5.845 -14.445 0.700 1.00 0.00 H new ATOM 0 HA CYS A 72 5.266 -12.736 -0.430 1.00 0.00 H new ATOM 0 HB2 CYS A 72 8.134 -12.674 -1.245 1.00 0.00 H new ATOM 0 HB3 CYS A 72 6.987 -11.564 -1.968 1.00 0.00 H new ATOM 1077 N TYR A 73 4.758 -12.779 -2.935 1.00 0.00 N ATOM 1078 CA TYR A 73 3.993 -13.026 -4.140 1.00 0.00 C ATOM 1079 C TYR A 73 4.105 -11.793 -5.033 1.00 0.00 C ATOM 1080 O TYR A 73 3.727 -10.689 -4.630 1.00 0.00 O ATOM 1081 CB TYR A 73 2.545 -13.353 -3.759 1.00 0.00 C ATOM 1082 CG TYR A 73 2.428 -14.641 -2.966 1.00 0.00 C ATOM 1083 CD1 TYR A 73 2.613 -14.637 -1.571 1.00 0.00 C ATOM 1084 CD2 TYR A 73 2.299 -15.866 -3.647 1.00 0.00 C ATOM 1085 CE1 TYR A 73 2.718 -15.850 -0.868 1.00 0.00 C ATOM 1086 CE2 TYR A 73 2.351 -17.077 -2.937 1.00 0.00 C ATOM 1087 CZ TYR A 73 2.587 -17.069 -1.553 1.00 0.00 C ATOM 1088 OH TYR A 73 2.715 -18.245 -0.875 1.00 0.00 O ATOM 0 H TYR A 73 4.623 -11.835 -2.573 1.00 0.00 H new ATOM 0 HA TYR A 73 4.377 -13.882 -4.695 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.133 -12.531 -3.173 1.00 0.00 H new ATOM 0 HB3 TYR A 73 1.944 -13.432 -4.665 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.675 -13.699 -1.039 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.160 -15.875 -4.718 1.00 0.00 H new ATOM 0 HE1 TYR A 73 2.899 -15.844 0.197 1.00 0.00 H new ATOM 0 HE2 TYR A 73 2.210 -18.014 -3.456 1.00 0.00 H new ATOM 0 HH TYR A 73 2.596 -18.995 -1.495 1.00 0.00 H new ATOM 1098 N GLN A 74 4.737 -11.972 -6.196 1.00 0.00 N ATOM 1099 CA GLN A 74 4.974 -10.910 -7.163 1.00 0.00 C ATOM 1100 C GLN A 74 3.769 -10.629 -8.051 1.00 0.00 C ATOM 1101 O GLN A 74 2.990 -11.522 -8.379 1.00 0.00 O ATOM 1102 CB GLN A 74 6.242 -11.216 -7.964 1.00 0.00 C ATOM 1103 CG GLN A 74 6.456 -10.384 -9.234 1.00 0.00 C ATOM 1104 CD GLN A 74 7.858 -10.578 -9.797 1.00 0.00 C ATOM 1105 OE1 GLN A 74 8.864 -10.013 -9.134 1.00 0.00 O flip ATOM 1106 NE2 GLN A 74 8.045 -11.234 -10.816 1.00 0.00 N flip ATOM 0 H GLN A 74 5.103 -12.877 -6.492 1.00 0.00 H new ATOM 0 HA GLN A 74 5.130 -9.982 -6.612 1.00 0.00 H new ATOM 0 HB2 GLN A 74 7.103 -11.073 -7.311 1.00 0.00 H new ATOM 0 HB3 GLN A 74 6.225 -12.270 -8.243 1.00 0.00 H new ATOM 0 HG2 GLN A 74 5.719 -10.668 -9.985 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.295 -9.329 -9.011 1.00 0.00 H new ATOM 0 HE21 GLN A 74 7.254 -11.656 -11.303 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.991 -11.358 -11.176 1.00 0.00 H new ATOM 1115 N SER A 75 3.679 -9.381 -8.503 1.00 0.00 N ATOM 1116 CA SER A 75 2.771 -8.982 -9.569 1.00 0.00 C ATOM 1117 C SER A 75 3.368 -9.398 -10.913 1.00 0.00 C ATOM 1118 O SER A 75 4.458 -8.950 -11.265 1.00 0.00 O ATOM 1119 CB SER A 75 2.513 -7.475 -9.490 1.00 0.00 C ATOM 1120 OG SER A 75 3.713 -6.741 -9.626 1.00 0.00 O ATOM 0 H SER A 75 4.240 -8.613 -8.135 1.00 0.00 H new ATOM 0 HA SER A 75 1.808 -9.481 -9.460 1.00 0.00 H new ATOM 0 HB2 SER A 75 1.814 -7.182 -10.273 1.00 0.00 H new ATOM 0 HB3 SER A 75 2.043 -7.234 -8.537 1.00 0.00 H new ATOM 0 HG SER A 75 3.834 -6.483 -10.564 1.00 0.00 H new ATOM 1126 N LYS A 76 2.654 -10.245 -11.663 1.00 0.00 N ATOM 1127 CA LYS A 76 3.060 -10.688 -12.995 1.00 0.00 C ATOM 1128 C LYS A 76 3.424 -9.501 -13.878 1.00 0.00 C ATOM 1129 O LYS A 76 4.362 -9.574 -14.667 1.00 0.00 O ATOM 1130 CB LYS A 76 1.920 -11.491 -13.641 1.00 0.00 C ATOM 1131 CG LYS A 76 2.396 -12.270 -14.876 1.00 0.00 C ATOM 1132 CD LYS A 76 1.237 -12.971 -15.598 1.00 0.00 C ATOM 1133 CE LYS A 76 0.350 -11.977 -16.362 1.00 0.00 C ATOM 1134 NZ LYS A 76 -0.677 -12.674 -17.157 1.00 0.00 N ATOM 0 H LYS A 76 1.768 -10.645 -11.355 1.00 0.00 H new ATOM 0 HA LYS A 76 3.942 -11.320 -12.895 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.507 -12.186 -12.910 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.116 -10.813 -13.927 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.892 -11.587 -15.566 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.136 -13.011 -14.574 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.637 -13.709 -16.293 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.632 -13.513 -14.871 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.131 -11.300 -15.656 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.968 -11.366 -17.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.259 -11.975 -17.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.216 -13.302 -17.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.281 -13.238 -16.526 1.00 0.00 H new ATOM 1148 N SER A 77 2.643 -8.428 -13.756 1.00 0.00 N ATOM 1149 CA SER A 77 2.873 -7.186 -14.458 1.00 0.00 C ATOM 1150 C SER A 77 3.282 -6.117 -13.450 1.00 0.00 C ATOM 1151 O SER A 77 3.224 -6.336 -12.241 1.00 0.00 O ATOM 1152 CB SER A 77 1.581 -6.798 -15.179 1.00 0.00 C ATOM 1153 OG SER A 77 1.210 -7.827 -16.075 1.00 0.00 O ATOM 0 H SER A 77 1.820 -8.407 -13.153 1.00 0.00 H new ATOM 0 HA SER A 77 3.672 -7.289 -15.192 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.785 -6.629 -14.454 1.00 0.00 H new ATOM 0 HB3 SER A 77 1.722 -5.863 -15.721 1.00 0.00 H new ATOM 0 HG SER A 77 0.381 -7.577 -16.535 1.00 0.00 H new ATOM 1159 N THR A 78 3.671 -4.945 -13.942 1.00 0.00 N ATOM 1160 CA THR A 78 3.855 -3.774 -13.111 1.00 0.00 C ATOM 1161 C THR A 78 2.479 -3.286 -12.644 1.00 0.00 C ATOM 1162 O THR A 78 1.464 -3.595 -13.270 1.00 0.00 O ATOM 1163 CB THR A 78 4.593 -2.728 -13.957 1.00 0.00 C ATOM 1164 OG1 THR A 78 3.917 -2.572 -15.189 1.00 0.00 O ATOM 1165 CG2 THR A 78 6.018 -3.193 -14.285 1.00 0.00 C ATOM 0 H THR A 78 3.866 -4.787 -14.931 1.00 0.00 H new ATOM 0 HA THR A 78 4.446 -3.982 -12.219 1.00 0.00 H new ATOM 0 HB THR A 78 4.625 -1.798 -13.389 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.382 -1.904 -15.735 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.519 -2.434 -14.885 1.00 0.00 H new ATOM 0 HG22 THR A 78 6.572 -3.348 -13.359 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.976 -4.128 -14.844 1.00 0.00 H new ATOM 1173 N MET A 79 2.433 -2.556 -11.527 1.00 0.00 N ATOM 1174 CA MET A 79 1.215 -1.978 -10.983 1.00 0.00 C ATOM 1175 C MET A 79 1.530 -0.556 -10.540 1.00 0.00 C ATOM 1176 O MET A 79 2.587 -0.336 -9.950 1.00 0.00 O ATOM 1177 CB MET A 79 0.728 -2.798 -9.783 1.00 0.00 C ATOM 1178 CG MET A 79 0.316 -4.219 -10.183 1.00 0.00 C ATOM 1179 SD MET A 79 -0.134 -5.306 -8.809 1.00 0.00 S ATOM 1180 CE MET A 79 -1.640 -4.536 -8.176 1.00 0.00 C ATOM 0 H MET A 79 3.261 -2.350 -10.969 1.00 0.00 H new ATOM 0 HA MET A 79 0.430 -1.980 -11.739 1.00 0.00 H new ATOM 0 HB2 MET A 79 1.518 -2.848 -9.034 1.00 0.00 H new ATOM 0 HB3 MET A 79 -0.119 -2.293 -9.319 1.00 0.00 H new ATOM 0 HG2 MET A 79 -0.530 -4.156 -10.867 1.00 0.00 H new ATOM 0 HG3 MET A 79 1.138 -4.677 -10.734 1.00 0.00 H new ATOM 0 HE1 MET A 79 -1.995 -5.090 -7.307 1.00 0.00 H new ATOM 0 HE2 MET A 79 -1.429 -3.506 -7.888 1.00 0.00 H new ATOM 0 HE3 MET A 79 -2.407 -4.546 -8.950 1.00 0.00 H new ATOM 1190 N ARG A 80 0.632 0.397 -10.813 1.00 0.00 N ATOM 1191 CA ARG A 80 0.768 1.734 -10.262 1.00 0.00 C ATOM 1192 C ARG A 80 0.563 1.671 -8.749 1.00 0.00 C ATOM 1193 O ARG A 80 -0.543 1.398 -8.280 1.00 0.00 O ATOM 1194 CB ARG A 80 -0.193 2.738 -10.924 1.00 0.00 C ATOM 1195 CG ARG A 80 0.381 3.252 -12.252 1.00 0.00 C ATOM 1196 CD ARG A 80 -0.343 4.499 -12.772 1.00 0.00 C ATOM 1197 NE ARG A 80 -1.666 4.185 -13.327 1.00 0.00 N ATOM 1198 CZ ARG A 80 -1.886 3.722 -14.568 1.00 0.00 C ATOM 1199 NH1 ARG A 80 -0.870 3.430 -15.389 1.00 0.00 N ATOM 1200 NH2 ARG A 80 -3.143 3.558 -14.992 1.00 0.00 N ATOM 0 H ARG A 80 -0.186 0.262 -11.407 1.00 0.00 H new ATOM 0 HA ARG A 80 1.773 2.099 -10.475 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -1.158 2.262 -11.100 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -0.370 3.577 -10.251 1.00 0.00 H new ATOM 0 HG2 ARG A 80 1.439 3.480 -12.121 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.316 2.462 -13.000 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -0.453 5.217 -11.960 1.00 0.00 H new ATOM 0 HD3 ARG A 80 0.266 4.977 -13.539 1.00 0.00 H new ATOM 0 HE ARG A 80 -2.477 4.329 -12.726 1.00 0.00 H new ATOM 0 HH11 ARG A 80 0.092 3.558 -15.075 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -1.058 3.079 -16.328 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -3.923 3.784 -14.375 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -3.322 3.207 -15.933 1.00 0.00 H new ATOM 1214 N ILE A 81 1.633 1.922 -7.994 1.00 0.00 N ATOM 1215 CA ILE A 81 1.584 2.155 -6.568 1.00 0.00 C ATOM 1216 C ILE A 81 1.881 3.628 -6.333 1.00 0.00 C ATOM 1217 O ILE A 81 2.806 4.175 -6.929 1.00 0.00 O ATOM 1218 CB ILE A 81 2.588 1.270 -5.819 1.00 0.00 C ATOM 1219 CG1 ILE A 81 3.941 1.119 -6.540 1.00 0.00 C ATOM 1220 CG2 ILE A 81 1.949 -0.090 -5.524 1.00 0.00 C ATOM 1221 CD1 ILE A 81 5.039 0.586 -5.614 1.00 0.00 C ATOM 0 H ILE A 81 2.577 1.968 -8.376 1.00 0.00 H new ATOM 0 HA ILE A 81 0.597 1.898 -6.184 1.00 0.00 H new ATOM 0 HB ILE A 81 2.826 1.772 -4.881 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.825 0.444 -7.388 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.246 2.085 -6.942 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.662 -0.719 -4.992 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.060 0.051 -4.909 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.669 -0.571 -6.461 1.00 0.00 H new ATOM 0 HD11 ILE A 81 5.972 0.498 -6.170 1.00 0.00 H new ATOM 0 HD12 ILE A 81 5.177 1.274 -4.780 1.00 0.00 H new ATOM 0 HD13 ILE A 81 4.750 -0.393 -5.233 1.00 0.00 H new ATOM 1233 N THR A 82 1.091 4.249 -5.462 1.00 0.00 N ATOM 1234 CA THR A 82 1.192 5.645 -5.087 1.00 0.00 C ATOM 1235 C THR A 82 1.792 5.681 -3.685 1.00 0.00 C ATOM 1236 O THR A 82 1.084 5.688 -2.673 1.00 0.00 O ATOM 1237 CB THR A 82 -0.173 6.305 -5.310 1.00 0.00 C ATOM 1238 OG1 THR A 82 -0.476 6.103 -6.678 1.00 0.00 O ATOM 1239 CG2 THR A 82 -0.195 7.806 -5.032 1.00 0.00 C ATOM 0 H THR A 82 0.332 3.767 -4.981 1.00 0.00 H new ATOM 0 HA THR A 82 1.864 6.248 -5.697 1.00 0.00 H new ATOM 0 HB THR A 82 -0.890 5.862 -4.619 1.00 0.00 H new ATOM 0 HG1 THR A 82 -1.405 6.365 -6.850 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.197 8.195 -5.214 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.082 7.988 -3.994 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.514 8.308 -5.690 1.00 0.00 H new ATOM 1247 N ASP A 83 3.129 5.598 -3.659 1.00 0.00 N ATOM 1248 CA ASP A 83 3.926 5.476 -2.454 1.00 0.00 C ATOM 1249 C ASP A 83 3.964 6.809 -1.732 1.00 0.00 C ATOM 1250 O ASP A 83 4.685 7.702 -2.172 1.00 0.00 O ATOM 1251 CB ASP A 83 5.338 4.978 -2.779 1.00 0.00 C ATOM 1252 CG ASP A 83 6.094 4.654 -1.494 1.00 0.00 C ATOM 1253 OD1 ASP A 83 5.563 3.824 -0.724 1.00 0.00 O ATOM 1254 OD2 ASP A 83 7.182 5.242 -1.304 1.00 0.00 O ATOM 0 H ASP A 83 3.693 5.615 -4.508 1.00 0.00 H new ATOM 0 HA ASP A 83 3.466 4.737 -1.797 1.00 0.00 H new ATOM 0 HB2 ASP A 83 5.282 4.091 -3.410 1.00 0.00 H new ATOM 0 HB3 ASP A 83 5.878 5.737 -3.345 1.00 0.00 H new ATOM 1259 N CYS A 84 3.178 6.939 -0.663 1.00 0.00 N ATOM 1260 CA CYS A 84 2.942 8.202 0.010 1.00 0.00 C ATOM 1261 C CYS A 84 3.828 8.282 1.255 1.00 0.00 C ATOM 1262 O CYS A 84 3.942 7.303 1.992 1.00 0.00 O ATOM 1263 CB CYS A 84 1.459 8.365 0.345 1.00 0.00 C ATOM 1264 SG CYS A 84 1.226 9.601 1.620 1.00 0.00 S ATOM 0 H CYS A 84 2.683 6.154 -0.239 1.00 0.00 H new ATOM 0 HA CYS A 84 3.207 9.028 -0.650 1.00 0.00 H new ATOM 0 HB2 CYS A 84 0.909 8.652 -0.551 1.00 0.00 H new ATOM 0 HB3 CYS A 84 1.050 7.411 0.678 1.00 0.00 H new ATOM 1269 N ARG A 85 4.481 9.428 1.482 1.00 0.00 N ATOM 1270 CA ARG A 85 5.540 9.547 2.469 1.00 0.00 C ATOM 1271 C ARG A 85 5.684 10.993 2.943 1.00 0.00 C ATOM 1272 O ARG A 85 5.564 11.915 2.134 1.00 0.00 O ATOM 1273 CB ARG A 85 6.826 8.972 1.858 1.00 0.00 C ATOM 1274 CG ARG A 85 7.223 9.557 0.490 1.00 0.00 C ATOM 1275 CD ARG A 85 7.903 8.470 -0.348 1.00 0.00 C ATOM 1276 NE ARG A 85 8.561 9.021 -1.538 1.00 0.00 N ATOM 1277 CZ ARG A 85 9.214 8.275 -2.442 1.00 0.00 C ATOM 1278 NH1 ARG A 85 9.133 6.939 -2.411 1.00 0.00 N ATOM 1279 NH2 ARG A 85 9.947 8.875 -3.385 1.00 0.00 N ATOM 0 H ARG A 85 4.284 10.295 0.982 1.00 0.00 H new ATOM 0 HA ARG A 85 5.303 8.975 3.366 1.00 0.00 H new ATOM 0 HB2 ARG A 85 7.646 9.137 2.557 1.00 0.00 H new ATOM 0 HB3 ARG A 85 6.708 7.893 1.753 1.00 0.00 H new ATOM 0 HG2 ARG A 85 6.340 9.932 -0.028 1.00 0.00 H new ATOM 0 HG3 ARG A 85 7.897 10.403 0.625 1.00 0.00 H new ATOM 0 HD2 ARG A 85 8.639 7.949 0.264 1.00 0.00 H new ATOM 0 HD3 ARG A 85 7.162 7.732 -0.653 1.00 0.00 H new ATOM 0 HE ARG A 85 8.520 10.029 -1.687 1.00 0.00 H new ATOM 0 HH11 ARG A 85 8.571 6.479 -1.695 1.00 0.00 H new ATOM 0 HH12 ARG A 85 9.634 6.382 -3.103 1.00 0.00 H new ATOM 0 HH21 ARG A 85 10.007 9.893 -3.414 1.00 0.00 H new ATOM 0 HH22 ARG A 85 10.446 8.315 -4.076 1.00 0.00 H new ATOM 1293 N GLU A 86 5.870 11.195 4.253 1.00 0.00 N ATOM 1294 CA GLU A 86 6.012 12.499 4.901 1.00 0.00 C ATOM 1295 C GLU A 86 7.242 13.270 4.386 1.00 0.00 C ATOM 1296 O GLU A 86 8.219 13.445 5.107 1.00 0.00 O ATOM 1297 CB GLU A 86 6.016 12.304 6.429 1.00 0.00 C ATOM 1298 CG GLU A 86 7.085 11.332 6.971 1.00 0.00 C ATOM 1299 CD GLU A 86 7.091 11.255 8.496 1.00 0.00 C ATOM 1300 OE1 GLU A 86 6.191 11.863 9.119 1.00 0.00 O ATOM 1301 OE2 GLU A 86 7.997 10.570 9.018 1.00 0.00 O ATOM 0 H GLU A 86 5.928 10.421 4.915 1.00 0.00 H new ATOM 0 HA GLU A 86 5.159 13.126 4.641 1.00 0.00 H new ATOM 0 HB2 GLU A 86 6.160 13.276 6.902 1.00 0.00 H new ATOM 0 HB3 GLU A 86 5.034 11.944 6.735 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.907 10.338 6.562 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.068 11.649 6.623 1.00 0.00 H new ATOM 1308 N THR A 87 7.185 13.783 3.152 1.00 0.00 N ATOM 1309 CA THR A 87 8.379 14.229 2.440 1.00 0.00 C ATOM 1310 C THR A 87 8.328 15.692 2.002 1.00 0.00 C ATOM 1311 O THR A 87 9.374 16.304 1.796 1.00 0.00 O ATOM 1312 CB THR A 87 8.597 13.235 1.289 1.00 0.00 C ATOM 1313 OG1 THR A 87 9.362 12.150 1.771 1.00 0.00 O ATOM 1314 CG2 THR A 87 9.254 13.812 0.039 1.00 0.00 C ATOM 0 H THR A 87 6.318 13.898 2.627 1.00 0.00 H new ATOM 0 HA THR A 87 9.241 14.223 3.106 1.00 0.00 H new ATOM 0 HB THR A 87 7.603 12.927 0.965 1.00 0.00 H new ATOM 0 HG1 THR A 87 9.775 11.680 1.017 1.00 0.00 H new ATOM 0 HG21 THR A 87 9.361 13.028 -0.711 1.00 0.00 H new ATOM 0 HG22 THR A 87 8.634 14.614 -0.361 1.00 0.00 H new ATOM 0 HG23 THR A 87 10.237 14.207 0.294 1.00 0.00 H new ATOM 1322 N GLY A 88 7.138 16.271 1.855 1.00 0.00 N ATOM 1323 CA GLY A 88 6.974 17.634 1.349 1.00 0.00 C ATOM 1324 C GLY A 88 7.370 18.704 2.374 1.00 0.00 C ATOM 1325 O GLY A 88 6.547 19.535 2.741 1.00 0.00 O ATOM 0 H GLY A 88 6.258 15.808 2.084 1.00 0.00 H new ATOM 0 HA2 GLY A 88 7.579 17.758 0.451 1.00 0.00 H new ATOM 0 HA3 GLY A 88 5.935 17.785 1.057 1.00 0.00 H new ATOM 1329 N SER A 89 8.621 18.689 2.844 1.00 0.00 N ATOM 1330 CA SER A 89 9.087 19.495 3.969 1.00 0.00 C ATOM 1331 C SER A 89 8.228 19.192 5.206 1.00 0.00 C ATOM 1332 O SER A 89 7.847 20.087 5.956 1.00 0.00 O ATOM 1333 CB SER A 89 9.098 20.984 3.593 1.00 0.00 C ATOM 1334 OG SER A 89 10.037 21.685 4.387 1.00 0.00 O ATOM 0 H SER A 89 9.352 18.102 2.442 1.00 0.00 H new ATOM 0 HA SER A 89 10.116 19.235 4.217 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.347 21.098 2.538 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.104 21.409 3.733 1.00 0.00 H new ATOM 0 HG SER A 89 10.035 22.632 4.136 1.00 0.00 H new ATOM 1340 N SER A 90 7.883 17.914 5.394 1.00 0.00 N ATOM 1341 CA SER A 90 7.000 17.506 6.473 1.00 0.00 C ATOM 1342 C SER A 90 7.689 17.661 7.829 1.00 0.00 C ATOM 1343 O SER A 90 8.767 17.103 8.031 1.00 0.00 O ATOM 1344 CB SER A 90 6.597 16.048 6.257 1.00 0.00 C ATOM 1345 OG SER A 90 5.541 15.709 7.125 1.00 0.00 O ATOM 0 H SER A 90 8.208 17.147 4.806 1.00 0.00 H new ATOM 0 HA SER A 90 6.115 18.143 6.470 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.292 15.896 5.222 1.00 0.00 H new ATOM 0 HB3 SER A 90 7.451 15.395 6.437 1.00 0.00 H new ATOM 0 HG SER A 90 4.704 15.661 6.618 1.00 0.00 H new ATOM 1351 N LYS A 91 7.060 18.374 8.768 1.00 0.00 N ATOM 1352 CA LYS A 91 7.497 18.399 10.156 1.00 0.00 C ATOM 1353 C LYS A 91 6.313 18.786 11.042 1.00 0.00 C ATOM 1354 O LYS A 91 5.936 19.955 11.091 1.00 0.00 O ATOM 1355 CB LYS A 91 8.706 19.339 10.338 1.00 0.00 C ATOM 1356 CG LYS A 91 9.923 18.599 10.908 1.00 0.00 C ATOM 1357 CD LYS A 91 9.704 18.159 12.363 1.00 0.00 C ATOM 1358 CE LYS A 91 10.934 17.403 12.877 1.00 0.00 C ATOM 1359 NZ LYS A 91 10.745 16.948 14.264 1.00 0.00 N ATOM 0 H LYS A 91 6.237 18.947 8.582 1.00 0.00 H new ATOM 0 HA LYS A 91 7.838 17.408 10.456 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.968 19.784 9.378 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.433 20.157 11.005 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.135 17.724 10.293 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.798 19.246 10.854 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.515 19.031 12.990 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.822 17.522 12.429 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.130 16.545 12.235 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.810 18.049 12.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.595 16.440 14.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 10.582 17.770 14.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 9.924 16.312 14.312 1.00 0.00 H new ATOM 1373 N TYR A 92 5.715 17.801 11.725 1.00 0.00 N ATOM 1374 CA TYR A 92 4.629 18.011 12.677 1.00 0.00 C ATOM 1375 C TYR A 92 4.902 19.233 13.568 1.00 0.00 C ATOM 1376 O TYR A 92 5.992 19.318 14.133 1.00 0.00 O ATOM 1377 CB TYR A 92 4.414 16.741 13.515 1.00 0.00 C ATOM 1378 CG TYR A 92 2.995 16.556 14.021 1.00 0.00 C ATOM 1379 CD1 TYR A 92 1.954 16.263 13.120 1.00 0.00 C ATOM 1380 CD2 TYR A 92 2.711 16.687 15.394 1.00 0.00 C ATOM 1381 CE1 TYR A 92 0.634 16.137 13.583 1.00 0.00 C ATOM 1382 CE2 TYR A 92 1.396 16.515 15.860 1.00 0.00 C ATOM 1383 CZ TYR A 92 0.354 16.260 14.953 1.00 0.00 C ATOM 1384 OH TYR A 92 -0.895 15.969 15.407 1.00 0.00 O ATOM 0 H TYR A 92 5.981 16.821 11.626 1.00 0.00 H new ATOM 0 HA TYR A 92 3.713 18.216 12.123 1.00 0.00 H new ATOM 0 HB2 TYR A 92 4.689 15.874 12.915 1.00 0.00 H new ATOM 0 HB3 TYR A 92 5.091 16.765 14.369 1.00 0.00 H new ATOM 0 HD1 TYR A 92 2.171 16.135 12.070 1.00 0.00 H new ATOM 0 HD2 TYR A 92 3.504 16.920 16.089 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -0.167 15.945 12.884 1.00 0.00 H new ATOM 0 HE2 TYR A 92 1.186 16.579 16.918 1.00 0.00 H new ATOM 0 HH TYR A 92 -0.831 15.517 16.274 1.00 0.00 H new ATOM 1394 N PRO A 93 3.970 20.195 13.695 1.00 0.00 N ATOM 1395 CA PRO A 93 2.584 20.158 13.235 1.00 0.00 C ATOM 1396 C PRO A 93 2.425 20.338 11.721 1.00 0.00 C ATOM 1397 O PRO A 93 1.411 19.920 11.165 1.00 0.00 O ATOM 1398 CB PRO A 93 1.888 21.296 13.987 1.00 0.00 C ATOM 1399 CG PRO A 93 3.009 22.315 14.188 1.00 0.00 C ATOM 1400 CD PRO A 93 4.221 21.419 14.438 1.00 0.00 C ATOM 0 HA PRO A 93 2.152 19.178 13.436 1.00 0.00 H new ATOM 0 HB2 PRO A 93 1.062 21.714 13.411 1.00 0.00 H new ATOM 0 HB3 PRO A 93 1.475 20.958 14.938 1.00 0.00 H new ATOM 0 HG2 PRO A 93 3.145 22.948 13.311 1.00 0.00 H new ATOM 0 HG3 PRO A 93 2.811 22.976 15.031 1.00 0.00 H new ATOM 0 HD2 PRO A 93 5.139 21.900 14.100 1.00 0.00 H new ATOM 0 HD3 PRO A 93 4.342 21.213 15.501 1.00 0.00 H new ATOM 1408 N ASN A 94 3.416 20.912 11.032 1.00 0.00 N ATOM 1409 CA ASN A 94 3.366 21.155 9.592 1.00 0.00 C ATOM 1410 C ASN A 94 3.686 19.857 8.847 1.00 0.00 C ATOM 1411 O ASN A 94 4.638 19.773 8.069 1.00 0.00 O ATOM 1412 CB ASN A 94 4.346 22.275 9.206 1.00 0.00 C ATOM 1413 CG ASN A 94 3.998 23.621 9.839 1.00 0.00 C ATOM 1414 OD1 ASN A 94 2.859 23.878 10.211 1.00 0.00 O ATOM 1415 ND2 ASN A 94 4.986 24.502 9.971 1.00 0.00 N ATOM 0 H ASN A 94 4.285 21.224 11.466 1.00 0.00 H new ATOM 0 HA ASN A 94 2.364 21.480 9.310 1.00 0.00 H new ATOM 0 HB2 ASN A 94 5.353 21.988 9.508 1.00 0.00 H new ATOM 0 HB3 ASN A 94 4.357 22.382 8.121 1.00 0.00 H new ATOM 0 HD21 ASN A 94 4.803 25.414 10.389 1.00 0.00 H new ATOM 0 HD22 ASN A 94 5.926 24.265 9.654 1.00 0.00 H new ATOM 1422 N CYS A 95 2.895 18.814 9.092 1.00 0.00 N ATOM 1423 CA CYS A 95 3.105 17.522 8.460 1.00 0.00 C ATOM 1424 C CYS A 95 2.416 17.462 7.116 1.00 0.00 C ATOM 1425 O CYS A 95 1.305 16.959 6.939 1.00 0.00 O ATOM 1426 CB CYS A 95 2.684 16.391 9.351 1.00 0.00 C ATOM 1427 SG CYS A 95 2.770 14.738 8.611 1.00 0.00 S ATOM 0 H CYS A 95 2.099 18.844 9.729 1.00 0.00 H new ATOM 0 HA CYS A 95 4.175 17.406 8.290 1.00 0.00 H new ATOM 0 HB2 CYS A 95 3.309 16.403 10.244 1.00 0.00 H new ATOM 0 HB3 CYS A 95 1.660 16.571 9.677 1.00 0.00 H new ATOM 1432 N ALA A 96 3.147 18.015 6.169 1.00 0.00 N ATOM 1433 CA ALA A 96 2.895 17.846 4.753 1.00 0.00 C ATOM 1434 C ALA A 96 3.109 16.371 4.396 1.00 0.00 C ATOM 1435 O ALA A 96 3.642 15.595 5.191 1.00 0.00 O ATOM 1436 CB ALA A 96 3.857 18.740 3.973 1.00 0.00 C ATOM 0 H ALA A 96 3.952 18.609 6.368 1.00 0.00 H new ATOM 0 HA ALA A 96 1.873 18.128 4.499 1.00 0.00 H new ATOM 0 HB1 ALA A 96 3.678 18.622 2.904 1.00 0.00 H new ATOM 0 HB2 ALA A 96 3.697 19.781 4.255 1.00 0.00 H new ATOM 0 HB3 ALA A 96 4.884 18.456 4.202 1.00 0.00 H new ATOM 1442 N TYR A 97 2.722 15.976 3.187 1.00 0.00 N ATOM 1443 CA TYR A 97 2.976 14.646 2.664 1.00 0.00 C ATOM 1444 C TYR A 97 3.474 14.779 1.233 1.00 0.00 C ATOM 1445 O TYR A 97 3.303 15.833 0.621 1.00 0.00 O ATOM 1446 CB TYR A 97 1.704 13.800 2.752 1.00 0.00 C ATOM 1447 CG TYR A 97 1.807 12.721 3.803 1.00 0.00 C ATOM 1448 CD1 TYR A 97 2.570 11.584 3.515 1.00 0.00 C ATOM 1449 CD2 TYR A 97 1.147 12.819 5.039 1.00 0.00 C ATOM 1450 CE1 TYR A 97 2.509 10.463 4.352 1.00 0.00 C ATOM 1451 CE2 TYR A 97 1.086 11.695 5.883 1.00 0.00 C ATOM 1452 CZ TYR A 97 1.679 10.486 5.475 1.00 0.00 C ATOM 1453 OH TYR A 97 1.345 9.311 6.074 1.00 0.00 O ATOM 0 H TYR A 97 2.218 16.581 2.539 1.00 0.00 H new ATOM 0 HA TYR A 97 3.740 14.139 3.253 1.00 0.00 H new ATOM 0 HB2 TYR A 97 0.856 14.446 2.979 1.00 0.00 H new ATOM 0 HB3 TYR A 97 1.506 13.343 1.783 1.00 0.00 H new ATOM 0 HD1 TYR A 97 3.208 11.571 2.644 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.690 13.750 5.339 1.00 0.00 H new ATOM 0 HE1 TYR A 97 3.100 9.586 4.131 1.00 0.00 H new ATOM 0 HE2 TYR A 97 0.587 11.760 6.839 1.00 0.00 H new ATOM 0 HH TYR A 97 1.128 9.474 7.016 1.00 0.00 H new ATOM 1463 N LYS A 98 4.087 13.716 0.712 1.00 0.00 N ATOM 1464 CA LYS A 98 4.419 13.582 -0.692 1.00 0.00 C ATOM 1465 C LYS A 98 3.932 12.215 -1.140 1.00 0.00 C ATOM 1466 O LYS A 98 3.659 11.380 -0.285 1.00 0.00 O ATOM 1467 CB LYS A 98 5.924 13.775 -0.919 1.00 0.00 C ATOM 1468 CG LYS A 98 6.241 14.496 -2.237 1.00 0.00 C ATOM 1469 CD LYS A 98 6.088 16.013 -2.058 1.00 0.00 C ATOM 1470 CE LYS A 98 6.119 16.758 -3.396 1.00 0.00 C ATOM 1471 NZ LYS A 98 7.398 16.573 -4.102 1.00 0.00 N ATOM 0 H LYS A 98 4.369 12.912 1.272 1.00 0.00 H new ATOM 0 HA LYS A 98 3.931 14.354 -1.287 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.341 14.345 -0.089 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.415 12.802 -0.916 1.00 0.00 H new ATOM 0 HG2 LYS A 98 7.257 14.260 -2.555 1.00 0.00 H new ATOM 0 HG3 LYS A 98 5.572 14.145 -3.023 1.00 0.00 H new ATOM 0 HD2 LYS A 98 5.148 16.224 -1.548 1.00 0.00 H new ATOM 0 HD3 LYS A 98 6.889 16.385 -1.418 1.00 0.00 H new ATOM 0 HE2 LYS A 98 5.303 16.405 -4.026 1.00 0.00 H new ATOM 0 HE3 LYS A 98 5.951 17.821 -3.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 7.396 17.134 -4.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 8.180 16.886 -3.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 7.523 15.567 -4.336 1.00 0.00 H new ATOM 1485 N THR A 99 3.801 11.965 -2.445 1.00 0.00 N ATOM 1486 CA THR A 99 3.581 10.620 -2.928 1.00 0.00 C ATOM 1487 C THR A 99 4.120 10.418 -4.333 1.00 0.00 C ATOM 1488 O THR A 99 4.201 11.371 -5.110 1.00 0.00 O ATOM 1489 CB THR A 99 2.104 10.242 -2.813 1.00 0.00 C ATOM 1490 OG1 THR A 99 1.965 8.844 -2.939 1.00 0.00 O ATOM 1491 CG2 THR A 99 1.228 10.921 -3.862 1.00 0.00 C ATOM 0 H THR A 99 3.845 12.678 -3.173 1.00 0.00 H new ATOM 0 HA THR A 99 4.148 9.941 -2.291 1.00 0.00 H new ATOM 0 HB THR A 99 1.767 10.585 -1.835 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.108 8.584 -3.873 1.00 0.00 H new ATOM 0 HG21 THR A 99 0.192 10.611 -3.726 1.00 0.00 H new ATOM 0 HG22 THR A 99 1.301 12.003 -3.752 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.565 10.634 -4.858 1.00 0.00 H new ATOM 1499 N THR A 100 4.464 9.165 -4.625 1.00 0.00 N ATOM 1500 CA THR A 100 5.051 8.719 -5.870 1.00 0.00 C ATOM 1501 C THR A 100 4.150 7.663 -6.506 1.00 0.00 C ATOM 1502 O THR A 100 4.224 6.495 -6.128 1.00 0.00 O ATOM 1503 CB THR A 100 6.443 8.154 -5.569 1.00 0.00 C ATOM 1504 OG1 THR A 100 7.248 9.179 -5.022 1.00 0.00 O ATOM 1505 CG2 THR A 100 7.087 7.623 -6.850 1.00 0.00 C ATOM 0 H THR A 100 4.331 8.402 -3.961 1.00 0.00 H new ATOM 0 HA THR A 100 5.147 9.546 -6.574 1.00 0.00 H new ATOM 0 HB THR A 100 6.353 7.333 -4.857 1.00 0.00 H new ATOM 0 HG1 THR A 100 8.186 9.020 -5.259 1.00 0.00 H new ATOM 0 HG21 THR A 100 8.076 7.224 -6.622 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.465 6.832 -7.269 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.180 8.433 -7.573 1.00 0.00 H new ATOM 1513 N GLN A 101 3.327 8.076 -7.476 1.00 0.00 N ATOM 1514 CA GLN A 101 2.575 7.201 -8.373 1.00 0.00 C ATOM 1515 C GLN A 101 3.531 6.592 -9.403 1.00 0.00 C ATOM 1516 O GLN A 101 3.745 7.173 -10.466 1.00 0.00 O ATOM 1517 CB GLN A 101 1.430 7.994 -9.029 1.00 0.00 C ATOM 1518 CG GLN A 101 1.856 9.324 -9.683 1.00 0.00 C ATOM 1519 CD GLN A 101 1.386 9.428 -11.130 1.00 0.00 C ATOM 1520 OE1 GLN A 101 0.490 10.204 -11.446 1.00 0.00 O ATOM 1521 NE2 GLN A 101 1.986 8.647 -12.019 1.00 0.00 N ATOM 0 H GLN A 101 3.162 9.065 -7.662 1.00 0.00 H new ATOM 0 HA GLN A 101 2.122 6.380 -7.817 1.00 0.00 H new ATOM 0 HB2 GLN A 101 0.960 7.367 -9.787 1.00 0.00 H new ATOM 0 HB3 GLN A 101 0.672 8.203 -8.274 1.00 0.00 H new ATOM 0 HG2 GLN A 101 1.449 10.156 -9.109 1.00 0.00 H new ATOM 0 HG3 GLN A 101 2.942 9.414 -9.648 1.00 0.00 H new ATOM 0 HE21 GLN A 101 2.728 8.013 -11.722 1.00 0.00 H new ATOM 0 HE22 GLN A 101 1.705 8.681 -12.999 1.00 0.00 H new ATOM 1530 N VAL A 102 4.119 5.435 -9.094 1.00 0.00 N ATOM 1531 CA VAL A 102 5.070 4.751 -9.963 1.00 0.00 C ATOM 1532 C VAL A 102 4.544 3.360 -10.322 1.00 0.00 C ATOM 1533 O VAL A 102 3.956 2.680 -9.482 1.00 0.00 O ATOM 1534 CB VAL A 102 6.463 4.728 -9.309 1.00 0.00 C ATOM 1535 CG1 VAL A 102 6.489 3.976 -7.971 1.00 0.00 C ATOM 1536 CG2 VAL A 102 7.511 4.131 -10.251 1.00 0.00 C ATOM 0 H VAL A 102 3.943 4.942 -8.219 1.00 0.00 H new ATOM 0 HA VAL A 102 5.178 5.295 -10.902 1.00 0.00 H new ATOM 0 HB VAL A 102 6.708 5.770 -9.106 1.00 0.00 H new ATOM 0 HG11 VAL A 102 7.499 3.996 -7.562 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.804 4.455 -7.271 1.00 0.00 H new ATOM 0 HG13 VAL A 102 6.182 2.942 -8.129 1.00 0.00 H new ATOM 0 HG21 VAL A 102 8.484 4.129 -9.759 1.00 0.00 H new ATOM 0 HG22 VAL A 102 7.231 3.109 -10.505 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.566 4.729 -11.161 1.00 0.00 H new ATOM 1546 N GLU A 103 4.749 2.957 -11.580 1.00 0.00 N ATOM 1547 CA GLU A 103 4.365 1.662 -12.118 1.00 0.00 C ATOM 1548 C GLU A 103 5.597 0.774 -12.242 1.00 0.00 C ATOM 1549 O GLU A 103 6.404 0.961 -13.148 1.00 0.00 O ATOM 1550 CB GLU A 103 3.586 1.796 -13.432 1.00 0.00 C ATOM 1551 CG GLU A 103 3.951 3.041 -14.242 1.00 0.00 C ATOM 1552 CD GLU A 103 3.139 3.107 -15.530 1.00 0.00 C ATOM 1553 OE1 GLU A 103 1.939 3.444 -15.416 1.00 0.00 O ATOM 1554 OE2 GLU A 103 3.723 2.811 -16.594 1.00 0.00 O ATOM 0 H GLU A 103 5.205 3.552 -12.272 1.00 0.00 H new ATOM 0 HA GLU A 103 3.676 1.180 -11.425 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.766 0.911 -14.042 1.00 0.00 H new ATOM 0 HB3 GLU A 103 2.519 1.818 -13.210 1.00 0.00 H new ATOM 0 HG2 GLU A 103 3.768 3.935 -13.645 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.015 3.028 -14.478 1.00 0.00 H new ATOM 1561 N LYS A 104 5.726 -0.192 -11.330 1.00 0.00 N ATOM 1562 CA LYS A 104 6.776 -1.197 -11.319 1.00 0.00 C ATOM 1563 C LYS A 104 6.159 -2.462 -10.734 1.00 0.00 C ATOM 1564 O LYS A 104 4.996 -2.439 -10.328 1.00 0.00 O ATOM 1565 CB LYS A 104 7.984 -0.749 -10.481 1.00 0.00 C ATOM 1566 CG LYS A 104 8.776 0.420 -11.082 1.00 0.00 C ATOM 1567 CD LYS A 104 9.505 0.036 -12.380 1.00 0.00 C ATOM 1568 CE LYS A 104 10.388 1.178 -12.896 1.00 0.00 C ATOM 1569 NZ LYS A 104 11.501 1.484 -11.980 1.00 0.00 N ATOM 0 H LYS A 104 5.074 -0.294 -10.552 1.00 0.00 H new ATOM 0 HA LYS A 104 7.150 -1.365 -12.329 1.00 0.00 H new ATOM 0 HB2 LYS A 104 7.636 -0.463 -9.488 1.00 0.00 H new ATOM 0 HB3 LYS A 104 8.655 -1.598 -10.351 1.00 0.00 H new ATOM 0 HG2 LYS A 104 8.097 1.249 -11.283 1.00 0.00 H new ATOM 0 HG3 LYS A 104 9.504 0.774 -10.352 1.00 0.00 H new ATOM 0 HD2 LYS A 104 10.119 -0.847 -12.204 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.773 -0.231 -13.143 1.00 0.00 H new ATOM 0 HE2 LYS A 104 10.789 0.911 -13.874 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.779 2.071 -13.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 12.180 2.112 -12.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 11.131 1.955 -11.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 11.978 0.601 -11.707 1.00 0.00 H new ATOM 1583 N HIS A 105 6.906 -3.566 -10.715 1.00 0.00 N ATOM 1584 CA HIS A 105 6.390 -4.811 -10.176 1.00 0.00 C ATOM 1585 C HIS A 105 6.468 -4.774 -8.660 1.00 0.00 C ATOM 1586 O HIS A 105 7.502 -4.413 -8.088 1.00 0.00 O ATOM 1587 CB HIS A 105 7.083 -6.036 -10.774 1.00 0.00 C ATOM 1588 CG HIS A 105 8.588 -6.036 -10.681 1.00 0.00 C ATOM 1589 ND1 HIS A 105 9.326 -5.945 -9.516 1.00 0.00 N ATOM 1590 CD2 HIS A 105 9.453 -6.251 -11.717 1.00 0.00 C ATOM 1591 CE1 HIS A 105 10.619 -6.129 -9.839 1.00 0.00 C ATOM 1592 NE2 HIS A 105 10.720 -6.300 -11.170 1.00 0.00 N ATOM 0 H HIS A 105 7.863 -3.618 -11.065 1.00 0.00 H new ATOM 0 HA HIS A 105 5.343 -4.910 -10.463 1.00 0.00 H new ATOM 0 HB2 HIS A 105 6.705 -6.927 -10.273 1.00 0.00 H new ATOM 0 HB3 HIS A 105 6.801 -6.116 -11.824 1.00 0.00 H new ATOM 0 HD1 HIS A 105 8.957 -5.770 -8.581 1.00 0.00 H new ATOM 0 HD2 HIS A 105 9.196 -6.361 -12.760 1.00 0.00 H new ATOM 0 HE1 HIS A 105 11.444 -6.138 -9.142 1.00 0.00 H new ATOM 1601 N ILE A 106 5.359 -5.140 -8.031 1.00 0.00 N ATOM 1602 CA ILE A 106 5.237 -5.186 -6.584 1.00 0.00 C ATOM 1603 C ILE A 106 5.411 -6.613 -6.084 1.00 0.00 C ATOM 1604 O ILE A 106 5.009 -7.570 -6.747 1.00 0.00 O ATOM 1605 CB ILE A 106 3.944 -4.524 -6.093 1.00 0.00 C ATOM 1606 CG1 ILE A 106 2.678 -5.307 -6.464 1.00 0.00 C ATOM 1607 CG2 ILE A 106 3.875 -3.086 -6.624 1.00 0.00 C ATOM 1608 CD1 ILE A 106 1.469 -4.796 -5.676 1.00 0.00 C ATOM 0 H ILE A 106 4.508 -5.417 -8.521 1.00 0.00 H new ATOM 0 HA ILE A 106 6.043 -4.594 -6.150 1.00 0.00 H new ATOM 0 HB ILE A 106 3.976 -4.518 -5.003 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.487 -5.212 -7.533 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.828 -6.367 -6.260 1.00 0.00 H new ATOM 0 HG21 ILE A 106 2.956 -2.613 -6.276 1.00 0.00 H new ATOM 0 HG22 ILE A 106 4.734 -2.522 -6.260 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.886 -3.100 -7.714 1.00 0.00 H new ATOM 0 HD11 ILE A 106 0.584 -5.367 -5.957 1.00 0.00 H new ATOM 0 HD12 ILE A 106 1.654 -4.915 -4.608 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.307 -3.742 -5.901 1.00 0.00 H new ATOM 1620 N ILE A 107 6.063 -6.734 -4.928 1.00 0.00 N ATOM 1621 CA ILE A 107 6.303 -7.973 -4.215 1.00 0.00 C ATOM 1622 C ILE A 107 5.546 -7.830 -2.895 1.00 0.00 C ATOM 1623 O ILE A 107 5.991 -7.127 -1.984 1.00 0.00 O ATOM 1624 CB ILE A 107 7.824 -8.189 -4.057 1.00 0.00 C ATOM 1625 CG1 ILE A 107 8.525 -8.607 -5.367 1.00 0.00 C ATOM 1626 CG2 ILE A 107 8.137 -9.314 -3.064 1.00 0.00 C ATOM 1627 CD1 ILE A 107 8.521 -7.570 -6.491 1.00 0.00 C ATOM 0 H ILE A 107 6.455 -5.925 -4.445 1.00 0.00 H new ATOM 0 HA ILE A 107 5.947 -8.862 -4.736 1.00 0.00 H new ATOM 0 HB ILE A 107 8.190 -7.220 -3.717 1.00 0.00 H new ATOM 0 HG12 ILE A 107 9.560 -8.860 -5.137 1.00 0.00 H new ATOM 0 HG13 ILE A 107 8.049 -9.516 -5.736 1.00 0.00 H new ATOM 0 HG21 ILE A 107 9.217 -9.435 -2.980 1.00 0.00 H new ATOM 0 HG22 ILE A 107 7.723 -9.063 -2.087 1.00 0.00 H new ATOM 0 HG23 ILE A 107 7.694 -10.245 -3.417 1.00 0.00 H new ATOM 0 HD11 ILE A 107 9.041 -7.973 -7.360 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.493 -7.331 -6.762 1.00 0.00 H new ATOM 0 HD13 ILE A 107 9.027 -6.665 -6.153 1.00 0.00 H new ATOM 1639 N VAL A 108 4.373 -8.466 -2.815 1.00 0.00 N ATOM 1640 CA VAL A 108 3.541 -8.424 -1.623 1.00 0.00 C ATOM 1641 C VAL A 108 3.895 -9.634 -0.763 1.00 0.00 C ATOM 1642 O VAL A 108 4.504 -10.581 -1.249 1.00 0.00 O ATOM 1643 CB VAL A 108 2.039 -8.413 -1.981 1.00 0.00 C ATOM 1644 CG1 VAL A 108 1.180 -7.787 -0.871 1.00 0.00 C ATOM 1645 CG2 VAL A 108 1.762 -7.643 -3.281 1.00 0.00 C ATOM 0 H VAL A 108 3.980 -9.021 -3.576 1.00 0.00 H new ATOM 0 HA VAL A 108 3.732 -7.503 -1.071 1.00 0.00 H new ATOM 0 HB VAL A 108 1.768 -9.461 -2.106 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.132 -7.802 -1.170 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.303 -8.357 0.050 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.495 -6.757 -0.705 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.693 -7.661 -3.494 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.092 -6.610 -3.170 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.304 -8.110 -4.103 1.00 0.00 H new ATOM 1655 N ALA A 109 3.490 -9.612 0.503 1.00 0.00 N ATOM 1656 CA ALA A 109 3.590 -10.709 1.449 1.00 0.00 C ATOM 1657 C ALA A 109 2.176 -11.059 1.903 1.00 0.00 C ATOM 1658 O ALA A 109 1.373 -10.167 2.210 1.00 0.00 O ATOM 1659 CB ALA A 109 4.483 -10.317 2.625 1.00 0.00 C ATOM 0 H ALA A 109 3.061 -8.783 0.914 1.00 0.00 H new ATOM 0 HA ALA A 109 4.049 -11.582 0.985 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.548 -11.149 3.326 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.480 -10.072 2.259 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.059 -9.450 3.131 1.00 0.00 H new ATOM 1665 N CYS A 110 1.872 -12.361 1.894 1.00 0.00 N ATOM 1666 CA CYS A 110 0.538 -12.875 2.151 1.00 0.00 C ATOM 1667 C CYS A 110 0.529 -13.702 3.426 1.00 0.00 C ATOM 1668 O CYS A 110 1.517 -14.359 3.751 1.00 0.00 O ATOM 1669 CB CYS A 110 0.027 -13.716 0.977 1.00 0.00 C ATOM 1670 SG CYS A 110 -0.220 -12.804 -0.561 1.00 0.00 S ATOM 0 H CYS A 110 2.560 -13.090 1.705 1.00 0.00 H new ATOM 0 HA CYS A 110 -0.130 -12.022 2.271 1.00 0.00 H new ATOM 0 HB2 CYS A 110 0.734 -14.525 0.793 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -0.918 -14.178 1.264 1.00 0.00 H new ATOM 1675 N GLY A 111 -0.597 -13.662 4.137 1.00 0.00 N ATOM 1676 CA GLY A 111 -0.837 -14.513 5.288 1.00 0.00 C ATOM 1677 C GLY A 111 -0.902 -15.986 4.878 1.00 0.00 C ATOM 1678 O GLY A 111 -1.100 -16.306 3.704 1.00 0.00 O ATOM 0 H GLY A 111 -1.370 -13.032 3.924 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -0.043 -14.371 6.021 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -1.771 -14.224 5.769 1.00 0.00 H new ATOM 1682 N GLY A 112 -0.746 -16.882 5.858 1.00 0.00 N ATOM 1683 CA GLY A 112 -0.968 -18.305 5.670 1.00 0.00 C ATOM 1684 C GLY A 112 -2.437 -18.568 5.348 1.00 0.00 C ATOM 1685 O GLY A 112 -3.276 -17.688 5.528 1.00 0.00 O ATOM 0 H GLY A 112 -0.461 -16.632 6.805 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -0.338 -18.676 4.861 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -0.682 -18.848 6.571 1.00 0.00 H new ATOM 1689 N LYS A 113 -2.722 -19.783 4.868 1.00 0.00 N ATOM 1690 CA LYS A 113 -4.006 -20.176 4.296 1.00 0.00 C ATOM 1691 C LYS A 113 -5.211 -19.592 5.057 1.00 0.00 C ATOM 1692 O LYS A 113 -5.309 -19.798 6.266 1.00 0.00 O ATOM 1693 CB LYS A 113 -4.121 -21.704 4.226 1.00 0.00 C ATOM 1694 CG LYS A 113 -3.180 -22.305 3.173 1.00 0.00 C ATOM 1695 CD LYS A 113 -3.506 -23.791 2.976 1.00 0.00 C ATOM 1696 CE LYS A 113 -2.647 -24.387 1.856 1.00 0.00 C ATOM 1697 NZ LYS A 113 -2.988 -25.799 1.614 1.00 0.00 N ATOM 0 H LYS A 113 -2.040 -20.542 4.869 1.00 0.00 H new ATOM 0 HA LYS A 113 -4.033 -19.759 3.289 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -3.891 -22.130 5.203 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -5.149 -21.980 3.992 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -3.287 -21.771 2.229 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -2.143 -22.189 3.489 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -3.330 -24.334 3.905 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -4.562 -23.908 2.733 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -2.791 -23.814 0.940 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -1.593 -24.305 2.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -2.390 -26.175 0.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -2.827 -26.349 2.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -3.988 -25.872 1.338 1.00 0.00 H new ATOM 1711 N PRO A 114 -6.151 -18.914 4.375 1.00 0.00 N ATOM 1712 CA PRO A 114 -6.191 -18.698 2.934 1.00 0.00 C ATOM 1713 C PRO A 114 -5.134 -17.687 2.483 1.00 0.00 C ATOM 1714 O PRO A 114 -4.780 -16.770 3.214 1.00 0.00 O ATOM 1715 CB PRO A 114 -7.599 -18.182 2.634 1.00 0.00 C ATOM 1716 CG PRO A 114 -7.995 -17.484 3.934 1.00 0.00 C ATOM 1717 CD PRO A 114 -7.322 -18.335 5.010 1.00 0.00 C ATOM 0 HA PRO A 114 -5.971 -19.619 2.394 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -7.605 -17.494 1.789 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -8.283 -18.995 2.388 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -7.644 -16.452 3.959 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -9.077 -17.456 4.062 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -7.041 -17.728 5.871 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -7.995 -19.112 5.373 1.00 0.00 H new ATOM 1725 N SER A 115 -4.621 -17.869 1.268 1.00 0.00 N ATOM 1726 CA SER A 115 -3.563 -17.047 0.707 1.00 0.00 C ATOM 1727 C SER A 115 -4.080 -15.630 0.439 1.00 0.00 C ATOM 1728 O SER A 115 -4.718 -15.400 -0.589 1.00 0.00 O ATOM 1729 CB SER A 115 -3.073 -17.717 -0.583 1.00 0.00 C ATOM 1730 OG SER A 115 -2.907 -19.107 -0.356 1.00 0.00 O ATOM 0 H SER A 115 -4.938 -18.606 0.638 1.00 0.00 H new ATOM 0 HA SER A 115 -2.732 -16.960 1.408 1.00 0.00 H new ATOM 0 HB2 SER A 115 -3.790 -17.551 -1.387 1.00 0.00 H new ATOM 0 HB3 SER A 115 -2.129 -17.274 -0.901 1.00 0.00 H new ATOM 0 HG SER A 115 -2.596 -19.538 -1.179 1.00 0.00 H new ATOM 1736 N VAL A 116 -3.832 -14.687 1.354 1.00 0.00 N ATOM 1737 CA VAL A 116 -4.399 -13.342 1.293 1.00 0.00 C ATOM 1738 C VAL A 116 -3.327 -12.277 1.589 1.00 0.00 C ATOM 1739 O VAL A 116 -2.525 -12.478 2.500 1.00 0.00 O ATOM 1740 CB VAL A 116 -5.594 -13.253 2.257 1.00 0.00 C ATOM 1741 CG1 VAL A 116 -6.726 -14.212 1.865 1.00 0.00 C ATOM 1742 CG2 VAL A 116 -5.184 -13.475 3.723 1.00 0.00 C ATOM 0 H VAL A 116 -3.228 -14.840 2.162 1.00 0.00 H new ATOM 0 HA VAL A 116 -4.759 -13.141 0.284 1.00 0.00 H new ATOM 0 HB VAL A 116 -5.971 -12.234 2.170 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -7.548 -14.114 2.574 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -7.080 -13.967 0.863 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -6.356 -15.237 1.879 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -6.064 -13.402 4.362 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -4.739 -14.464 3.830 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -4.458 -12.717 4.017 1.00 0.00 H new ATOM 1752 N PRO A 117 -3.278 -11.162 0.833 1.00 0.00 N ATOM 1753 CA PRO A 117 -2.228 -10.153 0.945 1.00 0.00 C ATOM 1754 C PRO A 117 -2.378 -9.361 2.243 1.00 0.00 C ATOM 1755 O PRO A 117 -3.494 -8.980 2.588 1.00 0.00 O ATOM 1756 CB PRO A 117 -2.398 -9.251 -0.280 1.00 0.00 C ATOM 1757 CG PRO A 117 -3.891 -9.354 -0.592 1.00 0.00 C ATOM 1758 CD PRO A 117 -4.238 -10.788 -0.193 1.00 0.00 C ATOM 0 HA PRO A 117 -1.234 -10.599 0.974 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -2.102 -8.224 -0.067 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -1.788 -9.591 -1.117 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -4.471 -8.627 -0.024 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -4.095 -9.170 -1.647 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -5.258 -10.852 0.185 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -4.174 -11.458 -1.050 1.00 0.00 H new ATOM 1766 N VAL A 118 -1.276 -9.117 2.966 1.00 0.00 N ATOM 1767 CA VAL A 118 -1.345 -8.512 4.293 1.00 0.00 C ATOM 1768 C VAL A 118 -0.141 -7.655 4.670 1.00 0.00 C ATOM 1769 O VAL A 118 -0.214 -6.889 5.630 1.00 0.00 O ATOM 1770 CB VAL A 118 -1.674 -9.593 5.330 1.00 0.00 C ATOM 1771 CG1 VAL A 118 -0.590 -10.673 5.398 1.00 0.00 C ATOM 1772 CG2 VAL A 118 -1.945 -9.071 6.740 1.00 0.00 C ATOM 0 H VAL A 118 -0.330 -9.331 2.650 1.00 0.00 H new ATOM 0 HA VAL A 118 -2.157 -7.785 4.274 1.00 0.00 H new ATOM 0 HB VAL A 118 -2.608 -10.021 4.965 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -0.865 -11.418 6.145 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -0.494 -11.154 4.425 1.00 0.00 H new ATOM 0 HG13 VAL A 118 0.361 -10.217 5.673 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -2.168 -9.908 7.401 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -1.065 -8.542 7.108 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -2.795 -8.389 6.718 1.00 0.00 H new ATOM 1782 N HIS A 119 0.969 -7.755 3.938 1.00 0.00 N ATOM 1783 CA HIS A 119 2.111 -6.889 4.167 1.00 0.00 C ATOM 1784 C HIS A 119 2.739 -6.551 2.821 1.00 0.00 C ATOM 1785 O HIS A 119 2.829 -7.405 1.944 1.00 0.00 O ATOM 1786 CB HIS A 119 3.071 -7.559 5.156 1.00 0.00 C ATOM 1787 CG HIS A 119 4.385 -6.841 5.318 1.00 0.00 C ATOM 1788 ND1 HIS A 119 5.537 -7.073 4.590 1.00 0.00 N ATOM 1789 CD2 HIS A 119 4.652 -5.869 6.241 1.00 0.00 C ATOM 1790 CE1 HIS A 119 6.492 -6.256 5.072 1.00 0.00 C ATOM 1791 NE2 HIS A 119 5.974 -5.516 6.071 1.00 0.00 N ATOM 0 H HIS A 119 1.095 -8.429 3.183 1.00 0.00 H new ATOM 0 HA HIS A 119 1.818 -5.945 4.627 1.00 0.00 H new ATOM 0 HB2 HIS A 119 2.584 -7.628 6.129 1.00 0.00 H new ATOM 0 HB3 HIS A 119 3.265 -8.579 4.824 1.00 0.00 H new ATOM 0 HD2 HIS A 119 3.962 -5.458 6.963 1.00 0.00 H new ATOM 0 HE1 HIS A 119 7.510 -6.202 4.715 1.00 0.00 H new ATOM 0 HE2 HIS A 119 6.476 -4.812 6.612 1.00 0.00 H new ATOM 1800 N PHE A 120 3.146 -5.296 2.641 1.00 0.00 N ATOM 1801 CA PHE A 120 3.857 -4.855 1.454 1.00 0.00 C ATOM 1802 C PHE A 120 5.343 -5.050 1.726 1.00 0.00 C ATOM 1803 O PHE A 120 5.921 -4.296 2.503 1.00 0.00 O ATOM 1804 CB PHE A 120 3.512 -3.390 1.170 1.00 0.00 C ATOM 1805 CG PHE A 120 4.261 -2.762 0.009 1.00 0.00 C ATOM 1806 CD1 PHE A 120 4.279 -3.385 -1.255 1.00 0.00 C ATOM 1807 CD2 PHE A 120 4.960 -1.554 0.197 1.00 0.00 C ATOM 1808 CE1 PHE A 120 5.016 -2.817 -2.309 1.00 0.00 C ATOM 1809 CE2 PHE A 120 5.689 -0.985 -0.860 1.00 0.00 C ATOM 1810 CZ PHE A 120 5.728 -1.622 -2.111 1.00 0.00 C ATOM 0 H PHE A 120 2.988 -4.555 3.323 1.00 0.00 H new ATOM 0 HA PHE A 120 3.573 -5.427 0.571 1.00 0.00 H new ATOM 0 HB2 PHE A 120 2.442 -3.317 0.973 1.00 0.00 H new ATOM 0 HB3 PHE A 120 3.711 -2.806 2.068 1.00 0.00 H new ATOM 0 HD1 PHE A 120 3.726 -4.299 -1.414 1.00 0.00 H new ATOM 0 HD2 PHE A 120 4.935 -1.063 1.159 1.00 0.00 H new ATOM 0 HE1 PHE A 120 5.035 -3.301 -3.274 1.00 0.00 H new ATOM 0 HE2 PHE A 120 6.220 -0.057 -0.711 1.00 0.00 H new ATOM 0 HZ PHE A 120 6.304 -1.195 -2.919 1.00 0.00 H new ATOM 1820 N ASP A 121 5.942 -6.088 1.138 1.00 0.00 N ATOM 1821 CA ASP A 121 7.361 -6.348 1.321 1.00 0.00 C ATOM 1822 C ASP A 121 8.177 -5.281 0.604 1.00 0.00 C ATOM 1823 O ASP A 121 8.954 -4.577 1.243 1.00 0.00 O ATOM 1824 CB ASP A 121 7.717 -7.756 0.845 1.00 0.00 C ATOM 1825 CG ASP A 121 9.197 -8.076 1.047 1.00 0.00 C ATOM 1826 OD1 ASP A 121 9.622 -8.081 2.221 1.00 0.00 O ATOM 1827 OD2 ASP A 121 9.875 -8.339 0.029 1.00 0.00 O ATOM 0 H ASP A 121 5.464 -6.757 0.534 1.00 0.00 H new ATOM 0 HA ASP A 121 7.603 -6.299 2.383 1.00 0.00 H new ATOM 0 HB2 ASP A 121 7.112 -8.484 1.386 1.00 0.00 H new ATOM 0 HB3 ASP A 121 7.466 -7.855 -0.211 1.00 0.00 H new ATOM 1832 N ALA A 122 8.008 -5.167 -0.717 1.00 0.00 N ATOM 1833 CA ALA A 122 8.732 -4.181 -1.510 1.00 0.00 C ATOM 1834 C ALA A 122 8.185 -4.142 -2.936 1.00 0.00 C ATOM 1835 O ALA A 122 7.227 -4.838 -3.268 1.00 0.00 O ATOM 1836 CB ALA A 122 10.227 -4.536 -1.544 1.00 0.00 C ATOM 0 H ALA A 122 7.371 -5.752 -1.258 1.00 0.00 H new ATOM 0 HA ALA A 122 8.601 -3.200 -1.052 1.00 0.00 H new ATOM 0 HB1 ALA A 122 10.763 -3.796 -2.138 1.00 0.00 H new ATOM 0 HB2 ALA A 122 10.623 -4.542 -0.528 1.00 0.00 H new ATOM 0 HB3 ALA A 122 10.357 -5.522 -1.990 1.00 0.00 H new ATOM 1842 N SER A 123 8.822 -3.348 -3.791 1.00 0.00 N ATOM 1843 CA SER A 123 8.658 -3.371 -5.233 1.00 0.00 C ATOM 1844 C SER A 123 10.044 -3.620 -5.832 1.00 0.00 C ATOM 1845 O SER A 123 10.925 -4.122 -5.134 1.00 0.00 O ATOM 1846 CB SER A 123 7.992 -2.061 -5.676 1.00 0.00 C ATOM 1847 OG SER A 123 8.707 -0.957 -5.156 1.00 0.00 O ATOM 0 H SER A 123 9.492 -2.644 -3.482 1.00 0.00 H new ATOM 0 HA SER A 123 8.000 -4.166 -5.585 1.00 0.00 H new ATOM 0 HB2 SER A 123 7.964 -2.007 -6.764 1.00 0.00 H new ATOM 0 HB3 SER A 123 6.959 -2.033 -5.329 1.00 0.00 H new ATOM 0 HG SER A 123 8.278 -0.124 -5.444 1.00 0.00 H new ATOM 1853 N VAL A 124 10.258 -3.299 -7.111 1.00 0.00 N ATOM 1854 CA VAL A 124 11.592 -3.338 -7.706 1.00 0.00 C ATOM 1855 C VAL A 124 12.645 -2.659 -6.813 1.00 0.00 C ATOM 1856 O VAL A 124 13.756 -3.226 -6.721 1.00 0.00 O ATOM 1857 CB VAL A 124 11.552 -2.745 -9.125 1.00 0.00 C ATOM 1858 CG1 VAL A 124 11.301 -1.232 -9.121 1.00 0.00 C ATOM 1859 CG2 VAL A 124 12.847 -3.041 -9.890 1.00 0.00 C ATOM 1860 OXT VAL A 124 12.325 -1.590 -6.250 1.00 0.00 O ATOM 0 H VAL A 124 9.521 -3.009 -7.754 1.00 0.00 H new ATOM 0 HA VAL A 124 11.903 -4.380 -7.786 1.00 0.00 H new ATOM 0 HB VAL A 124 10.715 -3.228 -9.629 1.00 0.00 H new ATOM 0 HG11 VAL A 124 11.282 -0.864 -10.147 1.00 0.00 H new ATOM 0 HG12 VAL A 124 10.344 -1.023 -8.643 1.00 0.00 H new ATOM 0 HG13 VAL A 124 12.098 -0.732 -8.571 1.00 0.00 H new ATOM 0 HG21 VAL A 124 12.787 -2.609 -10.889 1.00 0.00 H new ATOM 0 HG22 VAL A 124 13.692 -2.606 -9.357 1.00 0.00 H new ATOM 0 HG23 VAL A 124 12.984 -4.119 -9.969 1.00 0.00 H new TER 1870 VAL A 124