USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 855 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 65 SER OG : rot 71:sc= 0.753 USER MOD Set 1.2: A 67 THR OG1 : rot 9:sc= -0.491 USER MOD Set 2.1: A 37 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 83 ASN : amide:sc= -0.432 X(o=-0.43,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 108:sc= 0.825 USER MOD Single : A 20 ASN : amide:sc= -2.72 X(o=-2.7,f=-2.2) USER MOD Single : A 23 LYS NZ :NH3+ -118:sc= 0.341 (180deg=-0.415) USER MOD Single : A 27 SER OG : rot -56:sc= 0.115! USER MOD Single : A 30 GLN : amide:sc= -0.0467 X(o=-0.047,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc=-0.00248 USER MOD Single : A 46 ASN : amide:sc= -2.86! C(o=-2.9!,f=-3.8!) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.108 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 125:sc= -0.584 USER MOD Single : A 60 TYR OH : rot 180:sc= -0.3 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -127:sc=-0.00434 (180deg=-0.447) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 30:sc= -0.112 USER MOD Single : A 74 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.651) USER MOD Single : A 75 SER OG : rot -131:sc= 0.725 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -4.4 K(o=-4.4,f=-3.5!) USER MOD Single : A 90 LYS NZ :NH3+ 162:sc= -0.817 (180deg=-1.68) USER MOD Single : A 93 MET CE :methyl -164:sc= -0.138 (180deg=-0.158) USER MOD Single : A 95 TYR OH : rot 0:sc= -1.19 USER MOD Single : A 96 HIS : no HD1:sc= -3.81! C(o=-3.8!,f=-4.7!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -0.119 K(o=-0.12,f=-1.9!) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 67:sc= -1.61 USER MOD Single : A 117 THR OG1 : rot 180:sc=-0.00278 USER MOD Single : A 118 THR OG1 : rot -165:sc= -0.255 USER MOD Single : A 120 SER OG : rot -130:sc= -0.704 USER MOD Single : A 121 CYS SG : rot -23:sc= 0.0047 USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 9.650 -24.752 -6.350 1.00 0.00 N ATOM 67 CA ASP A 8 9.548 -23.712 -5.333 1.00 0.00 C ATOM 68 C ASP A 8 10.505 -22.563 -5.633 1.00 0.00 C ATOM 69 O ASP A 8 10.239 -21.414 -5.281 1.00 0.00 O ATOM 70 CB ASP A 8 9.844 -24.292 -3.949 1.00 0.00 C ATOM 71 CG ASP A 8 9.559 -23.304 -2.834 1.00 0.00 C ATOM 72 OD1 ASP A 8 10.355 -22.356 -2.663 1.00 0.00 O ATOM 73 OD2 ASP A 8 8.541 -23.479 -2.134 1.00 0.00 O ATOM 0 HA ASP A 8 8.529 -23.324 -5.345 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.243 -25.189 -3.798 1.00 0.00 H new ATOM 0 HB3 ASP A 8 10.889 -24.597 -3.902 1.00 0.00 H new ATOM 78 N GLU A 9 11.619 -22.882 -6.283 1.00 0.00 N ATOM 79 CA GLU A 9 12.617 -21.876 -6.628 1.00 0.00 C ATOM 80 C GLU A 9 11.949 -20.565 -7.033 1.00 0.00 C ATOM 81 O GLU A 9 12.365 -19.488 -6.608 1.00 0.00 O ATOM 82 CB GLU A 9 13.510 -22.379 -7.764 1.00 0.00 C ATOM 83 CG GLU A 9 14.421 -23.525 -7.360 1.00 0.00 C ATOM 84 CD GLU A 9 13.743 -24.877 -7.475 1.00 0.00 C ATOM 85 OE1 GLU A 9 13.823 -25.490 -8.560 1.00 0.00 O ATOM 86 OE2 GLU A 9 13.133 -25.322 -6.480 1.00 0.00 O ATOM 0 H GLU A 9 11.854 -23.829 -6.581 1.00 0.00 H new ATOM 0 HA GLU A 9 13.232 -21.694 -5.747 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.881 -22.701 -8.594 1.00 0.00 H new ATOM 0 HB3 GLU A 9 14.120 -21.552 -8.129 1.00 0.00 H new ATOM 0 HG2 GLU A 9 15.312 -23.515 -7.988 1.00 0.00 H new ATOM 0 HG3 GLU A 9 14.753 -23.375 -6.333 1.00 0.00 H new ATOM 93 N GLU A 10 10.912 -20.666 -7.859 1.00 0.00 N ATOM 94 CA GLU A 10 10.188 -19.488 -8.323 1.00 0.00 C ATOM 95 C GLU A 10 9.423 -18.833 -7.177 1.00 0.00 C ATOM 96 O GLU A 10 9.363 -17.607 -7.075 1.00 0.00 O ATOM 97 CB GLU A 10 9.220 -19.867 -9.446 1.00 0.00 C ATOM 98 CG GLU A 10 9.832 -19.779 -10.833 1.00 0.00 C ATOM 99 CD GLU A 10 9.658 -18.410 -11.462 1.00 0.00 C ATOM 100 OE1 GLU A 10 10.277 -17.446 -10.964 1.00 0.00 O ATOM 101 OE2 GLU A 10 8.902 -18.302 -12.450 1.00 0.00 O ATOM 0 H GLU A 10 10.555 -21.550 -8.220 1.00 0.00 H new ATOM 0 HA GLU A 10 10.916 -18.773 -8.706 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.864 -20.884 -9.279 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.350 -19.213 -9.400 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.895 -20.015 -10.773 1.00 0.00 H new ATOM 0 HG3 GLU A 10 9.375 -20.531 -11.476 1.00 0.00 H new ATOM 108 N THR A 11 8.838 -19.659 -6.315 1.00 0.00 N ATOM 109 CA THR A 11 8.076 -19.162 -5.176 1.00 0.00 C ATOM 110 C THR A 11 8.941 -18.289 -4.274 1.00 0.00 C ATOM 111 O THR A 11 8.526 -17.208 -3.855 1.00 0.00 O ATOM 112 CB THR A 11 7.490 -20.318 -4.344 1.00 0.00 C ATOM 113 OG1 THR A 11 6.606 -21.104 -5.151 1.00 0.00 O ATOM 114 CG2 THR A 11 6.740 -19.787 -3.132 1.00 0.00 C ATOM 0 H THR A 11 8.877 -20.676 -6.384 1.00 0.00 H new ATOM 0 HA THR A 11 7.259 -18.564 -5.580 1.00 0.00 H new ATOM 0 HB THR A 11 8.315 -20.940 -3.997 1.00 0.00 H new ATOM 0 HG1 THR A 11 6.239 -21.838 -4.615 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.335 -20.622 -2.560 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.422 -19.214 -2.504 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.924 -19.144 -3.462 1.00 0.00 H new ATOM 122 N LYS A 12 10.146 -18.763 -3.979 1.00 0.00 N ATOM 123 CA LYS A 12 11.072 -18.025 -3.128 1.00 0.00 C ATOM 124 C LYS A 12 11.303 -16.617 -3.667 1.00 0.00 C ATOM 125 O LYS A 12 11.210 -15.637 -2.929 1.00 0.00 O ATOM 126 CB LYS A 12 12.406 -18.769 -3.026 1.00 0.00 C ATOM 127 CG LYS A 12 12.442 -19.803 -1.915 1.00 0.00 C ATOM 128 CD LYS A 12 13.869 -20.155 -1.526 1.00 0.00 C ATOM 129 CE LYS A 12 13.906 -21.255 -0.477 1.00 0.00 C ATOM 130 NZ LYS A 12 13.528 -20.748 0.872 1.00 0.00 N ATOM 0 H LYS A 12 10.505 -19.656 -4.317 1.00 0.00 H new ATOM 0 HA LYS A 12 10.630 -17.946 -2.135 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.611 -19.262 -3.976 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.205 -18.045 -2.863 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.910 -19.421 -1.044 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.919 -20.703 -2.238 1.00 0.00 H new ATOM 0 HD2 LYS A 12 14.420 -20.476 -2.410 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.372 -19.268 -1.142 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.227 -22.057 -0.767 1.00 0.00 H new ATOM 0 HE3 LYS A 12 14.907 -21.685 -0.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.565 -21.528 1.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.191 -20.001 1.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.563 -20.361 0.840 1.00 0.00 H new ATOM 144 N ALA A 13 11.601 -16.525 -4.959 1.00 0.00 N ATOM 145 CA ALA A 13 11.841 -15.236 -5.597 1.00 0.00 C ATOM 146 C ALA A 13 10.651 -14.302 -5.411 1.00 0.00 C ATOM 147 O ALA A 13 10.817 -13.090 -5.266 1.00 0.00 O ATOM 148 CB ALA A 13 12.138 -15.428 -7.077 1.00 0.00 C ATOM 0 H ALA A 13 11.682 -17.327 -5.584 1.00 0.00 H new ATOM 0 HA ALA A 13 12.707 -14.777 -5.120 1.00 0.00 H new ATOM 0 HB1 ALA A 13 12.315 -14.458 -7.541 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.024 -16.053 -7.192 1.00 0.00 H new ATOM 0 HB3 ALA A 13 11.288 -15.911 -7.559 1.00 0.00 H new ATOM 154 N PHE A 14 9.450 -14.871 -5.417 1.00 0.00 N ATOM 155 CA PHE A 14 8.232 -14.088 -5.250 1.00 0.00 C ATOM 156 C PHE A 14 8.115 -13.560 -3.823 1.00 0.00 C ATOM 157 O PHE A 14 7.704 -12.421 -3.603 1.00 0.00 O ATOM 158 CB PHE A 14 7.005 -14.935 -5.594 1.00 0.00 C ATOM 159 CG PHE A 14 6.603 -14.848 -7.039 1.00 0.00 C ATOM 160 CD1 PHE A 14 6.135 -13.658 -7.572 1.00 0.00 C ATOM 161 CD2 PHE A 14 6.693 -15.957 -7.864 1.00 0.00 C ATOM 162 CE1 PHE A 14 5.764 -13.576 -8.900 1.00 0.00 C ATOM 163 CE2 PHE A 14 6.324 -15.881 -9.194 1.00 0.00 C ATOM 164 CZ PHE A 14 5.860 -14.689 -9.713 1.00 0.00 C ATOM 0 H PHE A 14 9.295 -15.872 -5.536 1.00 0.00 H new ATOM 0 HA PHE A 14 8.281 -13.238 -5.930 1.00 0.00 H new ATOM 0 HB2 PHE A 14 7.210 -15.976 -5.344 1.00 0.00 H new ATOM 0 HB3 PHE A 14 6.168 -14.617 -4.972 1.00 0.00 H new ATOM 0 HD1 PHE A 14 6.059 -12.784 -6.942 1.00 0.00 H new ATOM 0 HD2 PHE A 14 7.056 -16.892 -7.463 1.00 0.00 H new ATOM 0 HE1 PHE A 14 5.399 -12.643 -9.303 1.00 0.00 H new ATOM 0 HE2 PHE A 14 6.399 -16.753 -9.826 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.573 -14.627 -10.752 1.00 0.00 H new ATOM 174 N GLU A 15 8.480 -14.398 -2.857 1.00 0.00 N ATOM 175 CA GLU A 15 8.415 -14.016 -1.451 1.00 0.00 C ATOM 176 C GLU A 15 9.297 -12.801 -1.176 1.00 0.00 C ATOM 177 O GLU A 15 9.010 -12.002 -0.285 1.00 0.00 O ATOM 178 CB GLU A 15 8.847 -15.184 -0.562 1.00 0.00 C ATOM 179 CG GLU A 15 8.012 -16.439 -0.759 1.00 0.00 C ATOM 180 CD GLU A 15 8.147 -17.416 0.393 1.00 0.00 C ATOM 181 OE1 GLU A 15 9.084 -18.242 0.362 1.00 0.00 O ATOM 182 OE2 GLU A 15 7.318 -17.355 1.324 1.00 0.00 O ATOM 0 H GLU A 15 8.823 -15.344 -3.022 1.00 0.00 H new ATOM 0 HA GLU A 15 7.383 -13.754 -1.219 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.892 -15.417 -0.765 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.786 -14.877 0.482 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.965 -16.160 -0.873 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.313 -16.930 -1.684 1.00 0.00 H new ATOM 189 N ALA A 16 10.371 -12.669 -1.948 1.00 0.00 N ATOM 190 CA ALA A 16 11.293 -11.552 -1.789 1.00 0.00 C ATOM 191 C ALA A 16 10.925 -10.399 -2.716 1.00 0.00 C ATOM 192 O ALA A 16 10.996 -9.232 -2.331 1.00 0.00 O ATOM 193 CB ALA A 16 12.722 -12.006 -2.051 1.00 0.00 C ATOM 0 H ALA A 16 10.624 -13.322 -2.690 1.00 0.00 H new ATOM 0 HA ALA A 16 11.218 -11.196 -0.762 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.400 -11.162 -1.929 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.990 -12.792 -1.344 1.00 0.00 H new ATOM 0 HB3 ALA A 16 12.801 -12.390 -3.068 1.00 0.00 H new ATOM 199 N LEU A 17 10.531 -10.734 -3.941 1.00 0.00 N ATOM 200 CA LEU A 17 10.151 -9.725 -4.924 1.00 0.00 C ATOM 201 C LEU A 17 8.864 -9.019 -4.511 1.00 0.00 C ATOM 202 O LEU A 17 8.822 -7.793 -4.405 1.00 0.00 O ATOM 203 CB LEU A 17 9.974 -10.369 -6.301 1.00 0.00 C ATOM 204 CG LEU A 17 9.132 -9.582 -7.306 1.00 0.00 C ATOM 205 CD1 LEU A 17 9.959 -8.480 -7.948 1.00 0.00 C ATOM 206 CD2 LEU A 17 8.563 -10.512 -8.368 1.00 0.00 C ATOM 0 H LEU A 17 10.467 -11.695 -4.276 1.00 0.00 H new ATOM 0 HA LEU A 17 10.949 -8.984 -4.975 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.961 -10.532 -6.733 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.519 -11.350 -6.165 1.00 0.00 H new ATOM 0 HG LEU A 17 8.301 -9.120 -6.772 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.343 -7.931 -8.660 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.318 -7.798 -7.177 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.810 -8.920 -8.468 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.967 -9.935 -9.075 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.380 -11.002 -8.898 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.935 -11.265 -7.893 1.00 0.00 H new ATOM 218 N LEU A 18 7.816 -9.801 -4.276 1.00 0.00 N ATOM 219 CA LEU A 18 6.527 -9.251 -3.872 1.00 0.00 C ATOM 220 C LEU A 18 6.672 -8.379 -2.629 1.00 0.00 C ATOM 221 O LEU A 18 5.843 -7.508 -2.369 1.00 0.00 O ATOM 222 CB LEU A 18 5.530 -10.380 -3.602 1.00 0.00 C ATOM 223 CG LEU A 18 5.132 -11.227 -4.812 1.00 0.00 C ATOM 224 CD1 LEU A 18 4.388 -12.476 -4.367 1.00 0.00 C ATOM 225 CD2 LEU A 18 4.282 -10.412 -5.776 1.00 0.00 C ATOM 0 H LEU A 18 7.834 -10.818 -4.358 1.00 0.00 H new ATOM 0 HA LEU A 18 6.154 -8.631 -4.687 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.955 -11.040 -2.846 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.626 -9.945 -3.175 1.00 0.00 H new ATOM 0 HG LEU A 18 6.040 -11.536 -5.331 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.113 -13.066 -5.241 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.030 -13.069 -3.716 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.487 -12.189 -3.825 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.008 -11.030 -6.631 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.379 -10.074 -5.268 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.850 -9.548 -6.120 1.00 0.00 H new ATOM 237 N SER A 19 7.734 -8.618 -1.865 1.00 0.00 N ATOM 238 CA SER A 19 7.988 -7.856 -0.649 1.00 0.00 C ATOM 239 C SER A 19 9.143 -6.879 -0.851 1.00 0.00 C ATOM 240 O SER A 19 9.870 -6.559 0.088 1.00 0.00 O ATOM 241 CB SER A 19 8.301 -8.800 0.514 1.00 0.00 C ATOM 242 OG SER A 19 7.374 -9.870 0.566 1.00 0.00 O ATOM 0 H SER A 19 8.432 -9.334 -2.068 1.00 0.00 H new ATOM 0 HA SER A 19 7.090 -7.286 -0.413 1.00 0.00 H new ATOM 0 HB2 SER A 19 9.311 -9.195 0.404 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.275 -8.247 1.453 1.00 0.00 H new ATOM 0 HG SER A 19 7.815 -10.699 0.287 1.00 0.00 H new ATOM 248 N ASN A 20 9.303 -6.410 -2.084 1.00 0.00 N ATOM 249 CA ASN A 20 10.370 -5.470 -2.411 1.00 0.00 C ATOM 250 C ASN A 20 9.801 -4.195 -3.026 1.00 0.00 C ATOM 251 O ASN A 20 10.493 -3.483 -3.755 1.00 0.00 O ATOM 252 CB ASN A 20 11.367 -6.114 -3.376 1.00 0.00 C ATOM 253 CG ASN A 20 12.734 -5.460 -3.316 1.00 0.00 C ATOM 254 OD1 ASN A 20 12.936 -4.484 -2.594 1.00 0.00 O ATOM 255 ND2 ASN A 20 13.680 -5.996 -4.078 1.00 0.00 N ATOM 0 H ASN A 20 8.708 -6.665 -2.873 1.00 0.00 H new ATOM 0 HA ASN A 20 10.886 -5.208 -1.487 1.00 0.00 H new ATOM 0 HB2 ASN A 20 11.464 -7.174 -3.141 1.00 0.00 H new ATOM 0 HB3 ASN A 20 10.980 -6.047 -4.393 1.00 0.00 H new ATOM 0 HD21 ASN A 20 14.619 -5.598 -4.080 1.00 0.00 H new ATOM 0 HD22 ASN A 20 13.467 -6.805 -4.661 1.00 0.00 H new ATOM 262 N ILE A 21 8.537 -3.913 -2.727 1.00 0.00 N ATOM 263 CA ILE A 21 7.877 -2.723 -3.249 1.00 0.00 C ATOM 264 C ILE A 21 8.017 -1.549 -2.286 1.00 0.00 C ATOM 265 O ILE A 21 8.483 -1.710 -1.158 1.00 0.00 O ATOM 266 CB ILE A 21 6.381 -2.980 -3.513 1.00 0.00 C ATOM 267 CG1 ILE A 21 5.577 -2.811 -2.223 1.00 0.00 C ATOM 268 CG2 ILE A 21 6.177 -4.372 -4.092 1.00 0.00 C ATOM 269 CD1 ILE A 21 5.997 -3.757 -1.120 1.00 0.00 C ATOM 0 H ILE A 21 7.950 -4.492 -2.126 1.00 0.00 H new ATOM 0 HA ILE A 21 8.368 -2.477 -4.191 1.00 0.00 H new ATOM 0 HB ILE A 21 6.025 -2.250 -4.239 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.683 -1.785 -1.870 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.520 -2.966 -2.440 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.115 -4.539 -4.273 1.00 0.00 H new ATOM 0 HG22 ILE A 21 6.723 -4.459 -5.031 1.00 0.00 H new ATOM 0 HG23 ILE A 21 6.546 -5.117 -3.387 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.384 -3.580 -0.236 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.865 -4.786 -1.453 1.00 0.00 H new ATOM 0 HD13 ILE A 21 7.045 -3.587 -0.875 1.00 0.00 H new ATOM 281 N VAL A 22 7.610 -0.368 -2.739 1.00 0.00 N ATOM 282 CA VAL A 22 7.688 0.834 -1.917 1.00 0.00 C ATOM 283 C VAL A 22 6.341 1.148 -1.275 1.00 0.00 C ATOM 284 O VAL A 22 5.295 1.040 -1.914 1.00 0.00 O ATOM 285 CB VAL A 22 8.146 2.051 -2.743 1.00 0.00 C ATOM 286 CG1 VAL A 22 8.419 3.240 -1.836 1.00 0.00 C ATOM 287 CG2 VAL A 22 9.379 1.703 -3.564 1.00 0.00 C ATOM 0 H VAL A 22 7.223 -0.218 -3.671 1.00 0.00 H new ATOM 0 HA VAL A 22 8.423 0.637 -1.137 1.00 0.00 H new ATOM 0 HB VAL A 22 7.345 2.325 -3.429 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.741 4.090 -2.437 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.509 3.502 -1.296 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.202 2.982 -1.123 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.689 2.574 -4.142 1.00 0.00 H new ATOM 0 HG22 VAL A 22 10.187 1.403 -2.897 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.145 0.882 -4.242 1.00 0.00 H new ATOM 297 N LYS A 23 6.375 1.538 -0.005 1.00 0.00 N ATOM 298 CA LYS A 23 5.157 1.870 0.726 1.00 0.00 C ATOM 299 C LYS A 23 4.312 2.873 -0.052 1.00 0.00 C ATOM 300 O LYS A 23 4.827 3.744 -0.754 1.00 0.00 O ATOM 301 CB LYS A 23 5.505 2.441 2.103 1.00 0.00 C ATOM 302 CG LYS A 23 5.920 3.901 2.070 1.00 0.00 C ATOM 303 CD LYS A 23 6.183 4.438 3.467 1.00 0.00 C ATOM 304 CE LYS A 23 7.232 5.540 3.452 1.00 0.00 C ATOM 305 NZ LYS A 23 6.617 6.890 3.325 1.00 0.00 N ATOM 0 H LYS A 23 7.232 1.632 0.539 1.00 0.00 H new ATOM 0 HA LYS A 23 4.578 0.955 0.853 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.642 2.332 2.760 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.313 1.852 2.537 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.818 4.011 1.462 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.138 4.492 1.593 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.255 4.823 3.891 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.516 3.626 4.113 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.820 5.494 4.368 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.920 5.375 2.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.941 7.338 2.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.581 6.799 3.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.899 7.477 4.136 1.00 0.00 H new ATOM 319 N PRO A 24 2.982 2.751 0.074 1.00 0.00 N ATOM 320 CA PRO A 24 2.037 3.640 -0.610 1.00 0.00 C ATOM 321 C PRO A 24 2.060 5.055 -0.043 1.00 0.00 C ATOM 322 O PRO A 24 2.056 5.248 1.173 1.00 0.00 O ATOM 323 CB PRO A 24 0.680 2.981 -0.350 1.00 0.00 C ATOM 324 CG PRO A 24 0.870 2.205 0.907 1.00 0.00 C ATOM 325 CD PRO A 24 2.298 1.737 0.893 1.00 0.00 C ATOM 0 HA PRO A 24 2.275 3.754 -1.668 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -0.107 3.727 -0.240 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.391 2.332 -1.176 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.671 2.824 1.782 1.00 0.00 H new ATOM 0 HG3 PRO A 24 0.183 1.360 0.952 1.00 0.00 H new ATOM 0 HD2 PRO A 24 2.714 1.686 1.899 1.00 0.00 H new ATOM 0 HD3 PRO A 24 2.390 0.741 0.459 1.00 0.00 H new ATOM 333 N VAL A 25 2.082 6.044 -0.931 1.00 0.00 N ATOM 334 CA VAL A 25 2.104 7.442 -0.519 1.00 0.00 C ATOM 335 C VAL A 25 0.758 8.111 -0.776 1.00 0.00 C ATOM 336 O VAL A 25 0.094 7.831 -1.773 1.00 0.00 O ATOM 337 CB VAL A 25 3.204 8.228 -1.257 1.00 0.00 C ATOM 338 CG1 VAL A 25 3.001 9.725 -1.079 1.00 0.00 C ATOM 339 CG2 VAL A 25 4.580 7.806 -0.765 1.00 0.00 C ATOM 0 H VAL A 25 2.085 5.902 -1.941 1.00 0.00 H new ATOM 0 HA VAL A 25 2.315 7.454 0.550 1.00 0.00 H new ATOM 0 HB VAL A 25 3.138 8.001 -2.321 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.787 10.264 -1.607 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.030 10.011 -1.484 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.040 9.974 -0.019 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.346 8.371 -1.297 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.660 8.003 0.304 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.721 6.741 -0.949 1.00 0.00 H new ATOM 349 N ALA A 26 0.361 8.997 0.132 1.00 0.00 N ATOM 350 CA ALA A 26 -0.905 9.708 0.003 1.00 0.00 C ATOM 351 C ALA A 26 -0.692 11.110 -0.557 1.00 0.00 C ATOM 352 O ALA A 26 0.234 11.815 -0.155 1.00 0.00 O ATOM 353 CB ALA A 26 -1.611 9.777 1.349 1.00 0.00 C ATOM 0 H ALA A 26 0.898 9.239 0.965 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.533 9.157 -0.697 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.555 10.311 1.238 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.805 8.767 1.710 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.979 10.303 2.065 1.00 0.00 H new ATOM 359 N SER A 27 -1.554 11.508 -1.487 1.00 0.00 N ATOM 360 CA SER A 27 -1.458 12.825 -2.106 1.00 0.00 C ATOM 361 C SER A 27 -2.783 13.573 -2.001 1.00 0.00 C ATOM 362 O SER A 27 -2.929 14.491 -1.194 1.00 0.00 O ATOM 363 CB SER A 27 -1.048 12.693 -3.574 1.00 0.00 C ATOM 364 OG SER A 27 -2.063 12.059 -4.332 1.00 0.00 O ATOM 0 H SER A 27 -2.327 10.937 -1.829 1.00 0.00 H new ATOM 0 HA SER A 27 -0.697 13.395 -1.573 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.844 13.680 -3.988 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.124 12.120 -3.647 1.00 0.00 H new ATOM 0 HG SER A 27 -2.268 11.186 -3.938 1.00 0.00 H new ATOM 370 N ASP A 28 -3.747 13.173 -2.823 1.00 0.00 N ATOM 371 CA ASP A 28 -5.062 13.803 -2.824 1.00 0.00 C ATOM 372 C ASP A 28 -5.879 13.357 -1.615 1.00 0.00 C ATOM 373 O ASP A 28 -6.981 12.827 -1.760 1.00 0.00 O ATOM 374 CB ASP A 28 -5.812 13.467 -4.114 1.00 0.00 C ATOM 375 CG ASP A 28 -6.766 14.568 -4.532 1.00 0.00 C ATOM 376 OD1 ASP A 28 -6.627 15.699 -4.022 1.00 0.00 O ATOM 377 OD2 ASP A 28 -7.653 14.298 -5.370 1.00 0.00 O ATOM 0 H ASP A 28 -3.642 12.415 -3.497 1.00 0.00 H new ATOM 0 HA ASP A 28 -4.920 14.882 -2.766 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.093 13.291 -4.914 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.369 12.540 -3.976 1.00 0.00 H new ATOM 382 N ILE A 29 -5.332 13.575 -0.424 1.00 0.00 N ATOM 383 CA ILE A 29 -6.010 13.196 0.809 1.00 0.00 C ATOM 384 C ILE A 29 -7.243 14.061 1.047 1.00 0.00 C ATOM 385 O ILE A 29 -7.130 15.255 1.323 1.00 0.00 O ATOM 386 CB ILE A 29 -5.073 13.311 2.026 1.00 0.00 C ATOM 387 CG1 ILE A 29 -3.895 12.345 1.883 1.00 0.00 C ATOM 388 CG2 ILE A 29 -5.838 13.036 3.311 1.00 0.00 C ATOM 389 CD1 ILE A 29 -2.632 12.829 2.560 1.00 0.00 C ATOM 0 H ILE A 29 -4.421 14.012 -0.287 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.316 12.156 0.694 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.682 14.327 2.070 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.175 11.379 2.302 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.692 12.186 0.824 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.162 13.121 4.162 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.646 13.760 3.415 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.255 12.029 3.278 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.839 12.095 2.418 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.328 13.781 2.125 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.818 12.961 3.626 1.00 0.00 H new ATOM 401 N GLN A 30 -8.418 13.450 0.940 1.00 0.00 N ATOM 402 CA GLN A 30 -9.672 14.165 1.144 1.00 0.00 C ATOM 403 C GLN A 30 -10.350 13.717 2.435 1.00 0.00 C ATOM 404 O GLN A 30 -9.791 12.933 3.201 1.00 0.00 O ATOM 405 CB GLN A 30 -10.611 13.942 -0.043 1.00 0.00 C ATOM 406 CG GLN A 30 -10.489 15.006 -1.122 1.00 0.00 C ATOM 407 CD GLN A 30 -10.792 14.468 -2.507 1.00 0.00 C ATOM 408 OE1 GLN A 30 -11.953 14.351 -2.900 1.00 0.00 O ATOM 409 NE2 GLN A 30 -9.746 14.139 -3.256 1.00 0.00 N ATOM 0 H GLN A 30 -8.528 12.462 0.713 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.446 15.228 1.224 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -10.404 12.966 -0.482 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -11.639 13.918 0.317 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -11.171 15.826 -0.897 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -9.480 15.418 -1.109 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.801 14.252 -2.890 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -9.888 13.773 -4.197 1.00 0.00 H new ATOM 418 N ALA A 31 -11.557 14.220 2.669 1.00 0.00 N ATOM 419 CA ALA A 31 -12.312 13.870 3.866 1.00 0.00 C ATOM 420 C ALA A 31 -12.124 12.399 4.222 1.00 0.00 C ATOM 421 O ALA A 31 -11.449 12.068 5.197 1.00 0.00 O ATOM 422 CB ALA A 31 -13.788 14.183 3.669 1.00 0.00 C ATOM 0 H ALA A 31 -12.033 14.872 2.045 1.00 0.00 H new ATOM 0 HA ALA A 31 -11.932 14.469 4.694 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.340 13.917 4.570 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.911 15.248 3.470 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -14.172 13.609 2.826 1.00 0.00 H new ATOM 428 N ARG A 32 -12.726 11.521 3.427 1.00 0.00 N ATOM 429 CA ARG A 32 -12.626 10.085 3.661 1.00 0.00 C ATOM 430 C ARG A 32 -11.864 9.402 2.530 1.00 0.00 C ATOM 431 O ARG A 32 -11.225 8.368 2.732 1.00 0.00 O ATOM 432 CB ARG A 32 -14.021 9.470 3.794 1.00 0.00 C ATOM 433 CG ARG A 32 -15.056 10.427 4.363 1.00 0.00 C ATOM 434 CD ARG A 32 -15.797 11.166 3.260 1.00 0.00 C ATOM 435 NE ARG A 32 -16.851 10.348 2.665 1.00 0.00 N ATOM 436 CZ ARG A 32 -17.807 10.836 1.882 1.00 0.00 C ATOM 437 NH1 ARG A 32 -17.841 12.131 1.602 1.00 0.00 N ATOM 438 NH2 ARG A 32 -18.730 10.027 1.378 1.00 0.00 N ATOM 0 H ARG A 32 -13.288 11.778 2.616 1.00 0.00 H new ATOM 0 HA ARG A 32 -12.078 9.931 4.591 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -14.354 9.129 2.814 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.961 8.590 4.434 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -15.769 9.873 4.974 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -14.566 11.147 5.019 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -16.232 12.080 3.665 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -15.090 11.465 2.486 1.00 0.00 H new ATOM 0 HE ARG A 32 -16.853 9.347 2.862 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -17.132 12.755 1.988 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -18.576 12.504 1.001 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -18.706 9.030 1.592 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -19.464 10.402 0.777 1.00 0.00 H new ATOM 452 N THR A 33 -11.935 9.986 1.338 1.00 0.00 N ATOM 453 CA THR A 33 -11.253 9.433 0.174 1.00 0.00 C ATOM 454 C THR A 33 -9.869 10.050 0.003 1.00 0.00 C ATOM 455 O THR A 33 -9.618 11.169 0.449 1.00 0.00 O ATOM 456 CB THR A 33 -12.066 9.661 -1.114 1.00 0.00 C ATOM 457 OG1 THR A 33 -12.390 11.049 -1.250 1.00 0.00 O ATOM 458 CG2 THR A 33 -13.344 8.836 -1.100 1.00 0.00 C ATOM 0 H THR A 33 -12.458 10.842 1.153 1.00 0.00 H new ATOM 0 HA THR A 33 -11.152 8.362 0.347 1.00 0.00 H new ATOM 0 HB THR A 33 -11.458 9.346 -1.962 1.00 0.00 H new ATOM 0 HG1 THR A 33 -12.905 11.186 -2.072 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.902 9.013 -2.020 1.00 0.00 H new ATOM 0 HG22 THR A 33 -13.093 7.778 -1.026 1.00 0.00 H new ATOM 0 HG23 THR A 33 -13.954 9.125 -0.244 1.00 0.00 H new ATOM 466 N VAL A 34 -8.974 9.312 -0.646 1.00 0.00 N ATOM 467 CA VAL A 34 -7.615 9.787 -0.877 1.00 0.00 C ATOM 468 C VAL A 34 -6.978 9.073 -2.064 1.00 0.00 C ATOM 469 O VAL A 34 -7.397 7.979 -2.442 1.00 0.00 O ATOM 470 CB VAL A 34 -6.730 9.584 0.367 1.00 0.00 C ATOM 471 CG1 VAL A 34 -7.502 9.924 1.633 1.00 0.00 C ATOM 472 CG2 VAL A 34 -6.205 8.157 0.419 1.00 0.00 C ATOM 0 H VAL A 34 -9.166 8.383 -1.021 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.684 10.853 -1.093 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.877 10.259 0.299 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.861 9.775 2.502 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.824 10.965 1.594 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.375 9.277 1.711 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.582 8.031 1.304 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.044 7.462 0.464 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.613 7.954 -0.474 1.00 0.00 H new ATOM 482 N VAL A 35 -5.961 9.699 -2.648 1.00 0.00 N ATOM 483 CA VAL A 35 -5.263 9.123 -3.791 1.00 0.00 C ATOM 484 C VAL A 35 -3.966 8.448 -3.360 1.00 0.00 C ATOM 485 O VAL A 35 -2.952 9.112 -3.138 1.00 0.00 O ATOM 486 CB VAL A 35 -4.945 10.193 -4.852 1.00 0.00 C ATOM 487 CG1 VAL A 35 -4.000 9.636 -5.906 1.00 0.00 C ATOM 488 CG2 VAL A 35 -6.227 10.706 -5.491 1.00 0.00 C ATOM 0 H VAL A 35 -5.602 10.605 -2.348 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.929 8.378 -4.226 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.450 11.031 -4.361 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.787 10.406 -6.647 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.070 9.322 -5.432 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.465 8.780 -6.396 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.984 11.461 -6.238 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.752 9.879 -5.969 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.865 11.146 -4.724 1.00 0.00 H new ATOM 498 N LEU A 36 -4.003 7.125 -3.244 1.00 0.00 N ATOM 499 CA LEU A 36 -2.829 6.359 -2.840 1.00 0.00 C ATOM 500 C LEU A 36 -2.034 5.898 -4.057 1.00 0.00 C ATOM 501 O LEU A 36 -2.574 5.256 -4.958 1.00 0.00 O ATOM 502 CB LEU A 36 -3.248 5.150 -2.002 1.00 0.00 C ATOM 503 CG LEU A 36 -2.162 4.537 -1.118 1.00 0.00 C ATOM 504 CD1 LEU A 36 -1.615 5.574 -0.149 1.00 0.00 C ATOM 505 CD2 LEU A 36 -2.706 3.333 -0.362 1.00 0.00 C ATOM 0 H LEU A 36 -4.833 6.560 -3.424 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.192 7.007 -2.238 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.082 5.446 -1.366 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.619 4.377 -2.675 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.346 4.201 -1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.843 5.120 0.472 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.187 6.406 -0.709 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.422 5.941 0.485 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.919 2.909 0.262 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.540 3.645 0.267 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.049 2.582 -1.073 1.00 0.00 H new ATOM 517 N THR A 37 -0.747 6.228 -4.077 1.00 0.00 N ATOM 518 CA THR A 37 0.123 5.847 -5.182 1.00 0.00 C ATOM 519 C THR A 37 1.345 5.084 -4.683 1.00 0.00 C ATOM 520 O THR A 37 2.111 5.589 -3.862 1.00 0.00 O ATOM 521 CB THR A 37 0.592 7.080 -5.979 1.00 0.00 C ATOM 522 OG1 THR A 37 -0.511 7.963 -6.210 1.00 0.00 O ATOM 523 CG2 THR A 37 1.203 6.665 -7.309 1.00 0.00 C ATOM 0 H THR A 37 -0.284 6.759 -3.340 1.00 0.00 H new ATOM 0 HA THR A 37 -0.463 5.201 -5.836 1.00 0.00 H new ATOM 0 HB THR A 37 1.353 7.595 -5.393 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.204 8.745 -6.715 1.00 0.00 H new ATOM 0 HG21 THR A 37 1.526 7.552 -7.853 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.061 6.017 -7.129 1.00 0.00 H new ATOM 0 HG23 THR A 37 0.460 6.128 -7.899 1.00 0.00 H new ATOM 531 N TRP A 38 1.521 3.867 -5.184 1.00 0.00 N ATOM 532 CA TRP A 38 2.652 3.034 -4.788 1.00 0.00 C ATOM 533 C TRP A 38 3.368 2.472 -6.011 1.00 0.00 C ATOM 534 O TRP A 38 2.763 2.293 -7.069 1.00 0.00 O ATOM 535 CB TRP A 38 2.179 1.892 -3.888 1.00 0.00 C ATOM 536 CG TRP A 38 1.260 0.931 -4.580 1.00 0.00 C ATOM 537 CD1 TRP A 38 1.621 -0.148 -5.336 1.00 0.00 C ATOM 538 CD2 TRP A 38 -0.171 0.964 -4.582 1.00 0.00 C ATOM 539 NE1 TRP A 38 0.500 -0.787 -5.807 1.00 0.00 N ATOM 540 CE2 TRP A 38 -0.612 -0.125 -5.358 1.00 0.00 C ATOM 541 CE3 TRP A 38 -1.123 1.807 -4.002 1.00 0.00 C ATOM 542 CZ2 TRP A 38 -1.963 -0.391 -5.568 1.00 0.00 C ATOM 543 CZ3 TRP A 38 -2.463 1.542 -4.211 1.00 0.00 C ATOM 544 CH2 TRP A 38 -2.873 0.450 -4.988 1.00 0.00 C ATOM 0 H TRP A 38 0.896 3.435 -5.865 1.00 0.00 H new ATOM 0 HA TRP A 38 3.354 3.657 -4.234 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.048 1.349 -3.516 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.669 2.310 -3.020 1.00 0.00 H new ATOM 0 HD1 TRP A 38 2.638 -0.454 -5.534 1.00 0.00 H new ATOM 0 HE1 TRP A 38 0.496 -1.620 -6.396 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.817 2.651 -3.401 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -2.281 -1.231 -6.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -3.207 2.187 -3.768 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.928 0.269 -5.132 1.00 0.00 H new ATOM 555 N SER A 39 4.659 2.194 -5.860 1.00 0.00 N ATOM 556 CA SER A 39 5.458 1.655 -6.954 1.00 0.00 C ATOM 557 C SER A 39 5.570 0.137 -6.848 1.00 0.00 C ATOM 558 O SER A 39 5.409 -0.449 -5.778 1.00 0.00 O ATOM 559 CB SER A 39 6.853 2.283 -6.952 1.00 0.00 C ATOM 560 OG SER A 39 6.860 3.512 -7.657 1.00 0.00 O ATOM 0 H SER A 39 5.174 2.333 -4.991 1.00 0.00 H new ATOM 0 HA SER A 39 4.959 1.900 -7.891 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.180 2.447 -5.925 1.00 0.00 H new ATOM 0 HB3 SER A 39 7.566 1.595 -7.407 1.00 0.00 H new ATOM 0 HG SER A 39 7.762 3.894 -7.640 1.00 0.00 H new ATOM 566 N PRO A 40 5.854 -0.515 -7.985 1.00 0.00 N ATOM 567 CA PRO A 40 5.995 -1.973 -8.048 1.00 0.00 C ATOM 568 C PRO A 40 7.252 -2.464 -7.337 1.00 0.00 C ATOM 569 O PRO A 40 8.140 -1.687 -6.987 1.00 0.00 O ATOM 570 CB PRO A 40 6.085 -2.257 -9.549 1.00 0.00 C ATOM 571 CG PRO A 40 6.610 -0.995 -10.143 1.00 0.00 C ATOM 572 CD PRO A 40 6.059 0.120 -9.298 1.00 0.00 C ATOM 0 HA PRO A 40 5.169 -2.484 -7.553 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.749 -3.097 -9.754 1.00 0.00 H new ATOM 0 HB3 PRO A 40 5.110 -2.513 -9.963 1.00 0.00 H new ATOM 0 HG2 PRO A 40 7.700 -0.986 -10.139 1.00 0.00 H new ATOM 0 HG3 PRO A 40 6.294 -0.891 -11.181 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.754 0.957 -9.235 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.126 0.510 -9.706 1.00 0.00 H new ATOM 580 N PRO A 41 7.330 -3.785 -7.117 1.00 0.00 N ATOM 581 CA PRO A 41 8.474 -4.410 -6.447 1.00 0.00 C ATOM 582 C PRO A 41 9.735 -4.378 -7.304 1.00 0.00 C ATOM 583 O PRO A 41 9.663 -4.346 -8.532 1.00 0.00 O ATOM 584 CB PRO A 41 8.012 -5.853 -6.228 1.00 0.00 C ATOM 585 CG PRO A 41 6.995 -6.090 -7.290 1.00 0.00 C ATOM 586 CD PRO A 41 6.307 -4.771 -7.507 1.00 0.00 C ATOM 0 HA PRO A 41 8.742 -3.890 -5.527 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.844 -6.552 -6.313 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.585 -5.985 -5.234 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.465 -6.441 -8.209 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.282 -6.856 -6.984 1.00 0.00 H new ATOM 0 HD2 PRO A 41 6.001 -4.643 -8.545 1.00 0.00 H new ATOM 0 HD3 PRO A 41 5.409 -4.681 -6.896 1.00 0.00 H new ATOM 594 N SER A 42 10.891 -4.389 -6.647 1.00 0.00 N ATOM 595 CA SER A 42 12.169 -4.358 -7.349 1.00 0.00 C ATOM 596 C SER A 42 12.705 -5.770 -7.564 1.00 0.00 C ATOM 597 O SER A 42 13.054 -6.465 -6.611 1.00 0.00 O ATOM 598 CB SER A 42 13.187 -3.528 -6.563 1.00 0.00 C ATOM 599 OG SER A 42 12.873 -2.148 -6.621 1.00 0.00 O ATOM 0 H SER A 42 10.969 -4.419 -5.630 1.00 0.00 H new ATOM 0 HA SER A 42 12.009 -3.896 -8.323 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.204 -3.857 -5.524 1.00 0.00 H new ATOM 0 HB3 SER A 42 14.186 -3.694 -6.967 1.00 0.00 H new ATOM 0 HG SER A 42 13.537 -1.640 -6.110 1.00 0.00 H new ATOM 605 N SER A 43 12.767 -6.187 -8.825 1.00 0.00 N ATOM 606 CA SER A 43 13.256 -7.517 -9.167 1.00 0.00 C ATOM 607 C SER A 43 14.767 -7.605 -8.979 1.00 0.00 C ATOM 608 O SER A 43 15.536 -7.040 -9.759 1.00 0.00 O ATOM 609 CB SER A 43 12.889 -7.863 -10.612 1.00 0.00 C ATOM 610 OG SER A 43 13.520 -9.062 -11.025 1.00 0.00 O ATOM 0 H SER A 43 12.485 -5.623 -9.626 1.00 0.00 H new ATOM 0 HA SER A 43 12.782 -8.235 -8.498 1.00 0.00 H new ATOM 0 HB2 SER A 43 11.808 -7.968 -10.701 1.00 0.00 H new ATOM 0 HB3 SER A 43 13.185 -7.047 -11.271 1.00 0.00 H new ATOM 0 HG SER A 43 13.268 -9.262 -11.951 1.00 0.00 H new ATOM 616 N LEU A 44 15.187 -8.317 -7.940 1.00 0.00 N ATOM 617 CA LEU A 44 16.607 -8.480 -7.647 1.00 0.00 C ATOM 618 C LEU A 44 17.169 -9.714 -8.347 1.00 0.00 C ATOM 619 O LEU A 44 18.225 -10.225 -7.973 1.00 0.00 O ATOM 620 CB LEU A 44 16.828 -8.591 -6.138 1.00 0.00 C ATOM 621 CG LEU A 44 16.150 -7.523 -5.280 1.00 0.00 C ATOM 622 CD1 LEU A 44 15.972 -8.017 -3.853 1.00 0.00 C ATOM 623 CD2 LEU A 44 16.955 -6.231 -5.302 1.00 0.00 C ATOM 0 H LEU A 44 14.565 -8.791 -7.286 1.00 0.00 H new ATOM 0 HA LEU A 44 17.133 -7.601 -8.021 1.00 0.00 H new ATOM 0 HB2 LEU A 44 16.476 -9.569 -5.810 1.00 0.00 H new ATOM 0 HB3 LEU A 44 17.900 -8.557 -5.945 1.00 0.00 H new ATOM 0 HG LEU A 44 15.164 -7.321 -5.698 1.00 0.00 H new ATOM 0 HD11 LEU A 44 15.488 -7.243 -3.258 1.00 0.00 H new ATOM 0 HD12 LEU A 44 15.354 -8.915 -3.853 1.00 0.00 H new ATOM 0 HD13 LEU A 44 16.947 -8.248 -3.424 1.00 0.00 H new ATOM 0 HD21 LEU A 44 16.458 -5.482 -4.686 1.00 0.00 H new ATOM 0 HD22 LEU A 44 17.954 -6.418 -4.909 1.00 0.00 H new ATOM 0 HD23 LEU A 44 17.030 -5.867 -6.327 1.00 0.00 H new ATOM 635 N ILE A 45 16.457 -10.186 -9.365 1.00 0.00 N ATOM 636 CA ILE A 45 16.887 -11.357 -10.119 1.00 0.00 C ATOM 637 C ILE A 45 18.250 -11.127 -10.762 1.00 0.00 C ATOM 638 O ILE A 45 18.877 -12.060 -11.263 1.00 0.00 O ATOM 639 CB ILE A 45 15.870 -11.724 -11.216 1.00 0.00 C ATOM 640 CG1 ILE A 45 14.505 -12.030 -10.595 1.00 0.00 C ATOM 641 CG2 ILE A 45 16.368 -12.913 -12.023 1.00 0.00 C ATOM 642 CD1 ILE A 45 14.452 -13.361 -9.878 1.00 0.00 C ATOM 0 H ILE A 45 15.580 -9.776 -9.686 1.00 0.00 H new ATOM 0 HA ILE A 45 16.957 -12.181 -9.409 1.00 0.00 H new ATOM 0 HB ILE A 45 15.760 -10.873 -11.888 1.00 0.00 H new ATOM 0 HG12 ILE A 45 14.249 -11.237 -9.892 1.00 0.00 H new ATOM 0 HG13 ILE A 45 13.747 -12.018 -11.379 1.00 0.00 H new ATOM 0 HG21 ILE A 45 15.639 -13.160 -12.794 1.00 0.00 H new ATOM 0 HG22 ILE A 45 17.320 -12.662 -12.491 1.00 0.00 H new ATOM 0 HG23 ILE A 45 16.503 -13.770 -11.363 1.00 0.00 H new ATOM 0 HD11 ILE A 45 13.455 -13.511 -9.463 1.00 0.00 H new ATOM 0 HD12 ILE A 45 14.677 -14.163 -10.582 1.00 0.00 H new ATOM 0 HD13 ILE A 45 15.186 -13.370 -9.072 1.00 0.00 H new ATOM 654 N ASN A 46 18.705 -9.878 -10.743 1.00 0.00 N ATOM 655 CA ASN A 46 19.996 -9.526 -11.323 1.00 0.00 C ATOM 656 C ASN A 46 19.929 -9.540 -12.847 1.00 0.00 C ATOM 657 O ASN A 46 20.941 -9.726 -13.521 1.00 0.00 O ATOM 658 CB ASN A 46 21.077 -10.493 -10.839 1.00 0.00 C ATOM 659 CG ASN A 46 20.811 -11.003 -9.436 1.00 0.00 C ATOM 660 OD1 ASN A 46 20.638 -10.221 -8.501 1.00 0.00 O ATOM 661 ND2 ASN A 46 20.777 -12.322 -9.282 1.00 0.00 N ATOM 0 H ASN A 46 18.199 -9.093 -10.332 1.00 0.00 H new ATOM 0 HA ASN A 46 20.250 -8.517 -10.998 1.00 0.00 H new ATOM 0 HB2 ASN A 46 21.138 -11.338 -11.524 1.00 0.00 H new ATOM 0 HB3 ASN A 46 22.045 -9.993 -10.863 1.00 0.00 H new ATOM 0 HD21 ASN A 46 20.602 -12.724 -8.361 1.00 0.00 H new ATOM 0 HD22 ASN A 46 20.926 -12.933 -10.085 1.00 0.00 H new ATOM 668 N GLY A 47 18.729 -9.343 -13.384 1.00 0.00 N ATOM 669 CA GLY A 47 18.552 -9.337 -14.824 1.00 0.00 C ATOM 670 C GLY A 47 18.648 -10.724 -15.426 1.00 0.00 C ATOM 671 O GLY A 47 18.413 -10.907 -16.620 1.00 0.00 O ATOM 0 H GLY A 47 17.876 -9.187 -12.847 1.00 0.00 H new ATOM 0 HA2 GLY A 47 17.580 -8.906 -15.066 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.307 -8.695 -15.277 1.00 0.00 H new ATOM 675 N GLU A 48 18.996 -11.704 -14.598 1.00 0.00 N ATOM 676 CA GLU A 48 19.124 -13.082 -15.057 1.00 0.00 C ATOM 677 C GLU A 48 17.934 -13.480 -15.925 1.00 0.00 C ATOM 678 O GLU A 48 18.056 -14.314 -16.822 1.00 0.00 O ATOM 679 CB GLU A 48 19.238 -14.033 -13.863 1.00 0.00 C ATOM 680 CG GLU A 48 20.584 -13.967 -13.159 1.00 0.00 C ATOM 681 CD GLU A 48 21.605 -14.911 -13.763 1.00 0.00 C ATOM 682 OE1 GLU A 48 21.550 -15.140 -14.989 1.00 0.00 O ATOM 683 OE2 GLU A 48 22.459 -15.422 -13.008 1.00 0.00 O ATOM 0 H GLU A 48 19.194 -11.569 -13.607 1.00 0.00 H new ATOM 0 HA GLU A 48 20.030 -13.154 -15.658 1.00 0.00 H new ATOM 0 HB2 GLU A 48 18.451 -13.799 -13.146 1.00 0.00 H new ATOM 0 HB3 GLU A 48 19.065 -15.054 -14.204 1.00 0.00 H new ATOM 0 HG2 GLU A 48 20.965 -12.947 -13.207 1.00 0.00 H new ATOM 0 HG3 GLU A 48 20.451 -14.209 -12.105 1.00 0.00 H new ATOM 690 N THR A 49 16.782 -12.876 -15.652 1.00 0.00 N ATOM 691 CA THR A 49 15.569 -13.168 -16.405 1.00 0.00 C ATOM 692 C THR A 49 15.249 -12.046 -17.387 1.00 0.00 C ATOM 693 O THR A 49 15.735 -10.924 -17.242 1.00 0.00 O ATOM 694 CB THR A 49 14.362 -13.375 -15.470 1.00 0.00 C ATOM 695 OG1 THR A 49 13.193 -13.679 -16.239 1.00 0.00 O ATOM 696 CG2 THR A 49 14.112 -12.135 -14.626 1.00 0.00 C ATOM 0 H THR A 49 16.664 -12.181 -14.915 1.00 0.00 H new ATOM 0 HA THR A 49 15.754 -14.090 -16.956 1.00 0.00 H new ATOM 0 HB THR A 49 14.585 -14.209 -14.804 1.00 0.00 H new ATOM 0 HG1 THR A 49 12.431 -13.811 -15.637 1.00 0.00 H new ATOM 0 HG21 THR A 49 13.255 -12.305 -13.974 1.00 0.00 H new ATOM 0 HG22 THR A 49 14.993 -11.924 -14.020 1.00 0.00 H new ATOM 0 HG23 THR A 49 13.908 -11.286 -15.278 1.00 0.00 H new ATOM 704 N ASP A 50 14.429 -12.356 -18.385 1.00 0.00 N ATOM 705 CA ASP A 50 14.043 -11.373 -19.391 1.00 0.00 C ATOM 706 C ASP A 50 13.395 -10.155 -18.739 1.00 0.00 C ATOM 707 O ASP A 50 12.589 -10.287 -17.820 1.00 0.00 O ATOM 708 CB ASP A 50 13.081 -11.998 -20.402 1.00 0.00 C ATOM 709 CG ASP A 50 13.320 -13.483 -20.589 1.00 0.00 C ATOM 710 OD1 ASP A 50 14.360 -13.847 -21.178 1.00 0.00 O ATOM 711 OD2 ASP A 50 12.469 -14.281 -20.144 1.00 0.00 O ATOM 0 H ASP A 50 14.019 -13.280 -18.519 1.00 0.00 H new ATOM 0 HA ASP A 50 14.944 -11.048 -19.911 1.00 0.00 H new ATOM 0 HB2 ASP A 50 12.055 -11.837 -20.070 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.188 -11.492 -21.362 1.00 0.00 H new ATOM 716 N GLU A 51 13.755 -8.970 -19.223 1.00 0.00 N ATOM 717 CA GLU A 51 13.210 -7.729 -18.685 1.00 0.00 C ATOM 718 C GLU A 51 11.687 -7.721 -18.773 1.00 0.00 C ATOM 719 O GLU A 51 11.002 -7.315 -17.834 1.00 0.00 O ATOM 720 CB GLU A 51 13.782 -6.526 -19.439 1.00 0.00 C ATOM 721 CG GLU A 51 15.301 -6.473 -19.437 1.00 0.00 C ATOM 722 CD GLU A 51 15.916 -7.346 -20.514 1.00 0.00 C ATOM 723 OE1 GLU A 51 15.534 -7.190 -21.693 1.00 0.00 O ATOM 724 OE2 GLU A 51 16.778 -8.185 -20.178 1.00 0.00 O ATOM 0 H GLU A 51 14.421 -8.843 -19.985 1.00 0.00 H new ATOM 0 HA GLU A 51 13.496 -7.661 -17.636 1.00 0.00 H new ATOM 0 HB2 GLU A 51 13.429 -6.553 -20.470 1.00 0.00 H new ATOM 0 HB3 GLU A 51 13.394 -5.610 -18.993 1.00 0.00 H new ATOM 0 HG2 GLU A 51 15.625 -5.442 -19.581 1.00 0.00 H new ATOM 0 HG3 GLU A 51 15.671 -6.790 -18.462 1.00 0.00 H new ATOM 731 N SER A 52 11.163 -8.171 -19.909 1.00 0.00 N ATOM 732 CA SER A 52 9.721 -8.211 -20.123 1.00 0.00 C ATOM 733 C SER A 52 9.128 -9.508 -19.581 1.00 0.00 C ATOM 734 O SER A 52 8.202 -10.072 -20.164 1.00 0.00 O ATOM 735 CB SER A 52 9.401 -8.075 -21.613 1.00 0.00 C ATOM 736 OG SER A 52 9.538 -6.731 -22.043 1.00 0.00 O ATOM 0 H SER A 52 11.716 -8.513 -20.695 1.00 0.00 H new ATOM 0 HA SER A 52 9.275 -7.374 -19.585 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.067 -8.715 -22.191 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.384 -8.419 -21.803 1.00 0.00 H new ATOM 0 HG SER A 52 9.330 -6.670 -22.999 1.00 0.00 H new ATOM 742 N SER A 53 9.669 -9.976 -18.460 1.00 0.00 N ATOM 743 CA SER A 53 9.197 -11.208 -17.840 1.00 0.00 C ATOM 744 C SER A 53 8.401 -10.909 -16.574 1.00 0.00 C ATOM 745 O SER A 53 7.365 -11.523 -16.318 1.00 0.00 O ATOM 746 CB SER A 53 10.378 -12.123 -17.509 1.00 0.00 C ATOM 747 OG SER A 53 9.985 -13.484 -17.510 1.00 0.00 O ATOM 0 H SER A 53 10.434 -9.520 -17.963 1.00 0.00 H new ATOM 0 HA SER A 53 8.542 -11.714 -18.549 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.175 -11.971 -18.237 1.00 0.00 H new ATOM 0 HB3 SER A 53 10.784 -11.859 -16.532 1.00 0.00 H new ATOM 0 HG SER A 53 10.758 -14.048 -17.297 1.00 0.00 H new ATOM 753 N VAL A 54 8.892 -9.959 -15.784 1.00 0.00 N ATOM 754 CA VAL A 54 8.227 -9.576 -14.544 1.00 0.00 C ATOM 755 C VAL A 54 6.812 -9.076 -14.812 1.00 0.00 C ATOM 756 O VAL A 54 6.596 -8.113 -15.548 1.00 0.00 O ATOM 757 CB VAL A 54 9.014 -8.481 -13.800 1.00 0.00 C ATOM 758 CG1 VAL A 54 10.266 -9.064 -13.161 1.00 0.00 C ATOM 759 CG2 VAL A 54 9.370 -7.344 -14.747 1.00 0.00 C ATOM 0 H VAL A 54 9.748 -9.441 -15.981 1.00 0.00 H new ATOM 0 HA VAL A 54 8.182 -10.468 -13.920 1.00 0.00 H new ATOM 0 HB VAL A 54 8.383 -8.080 -13.007 1.00 0.00 H new ATOM 0 HG11 VAL A 54 10.809 -8.276 -12.640 1.00 0.00 H new ATOM 0 HG12 VAL A 54 9.984 -9.841 -12.451 1.00 0.00 H new ATOM 0 HG13 VAL A 54 10.903 -9.493 -13.934 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.926 -6.579 -14.205 1.00 0.00 H new ATOM 0 HG22 VAL A 54 9.983 -7.728 -15.563 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.457 -6.909 -15.153 1.00 0.00 H new ATOM 769 N PRO A 55 5.823 -9.744 -14.200 1.00 0.00 N ATOM 770 CA PRO A 55 4.410 -9.385 -14.356 1.00 0.00 C ATOM 771 C PRO A 55 4.070 -8.063 -13.676 1.00 0.00 C ATOM 772 O PRO A 55 4.827 -7.573 -12.840 1.00 0.00 O ATOM 773 CB PRO A 55 3.673 -10.542 -13.676 1.00 0.00 C ATOM 774 CG PRO A 55 4.649 -11.086 -12.691 1.00 0.00 C ATOM 775 CD PRO A 55 6.008 -10.902 -13.309 1.00 0.00 C ATOM 0 HA PRO A 55 4.138 -9.245 -15.402 1.00 0.00 H new ATOM 0 HB2 PRO A 55 2.764 -10.197 -13.183 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.375 -11.301 -14.399 1.00 0.00 H new ATOM 0 HG2 PRO A 55 4.578 -10.559 -11.740 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.452 -12.139 -12.487 1.00 0.00 H new ATOM 0 HD2 PRO A 55 6.770 -10.710 -12.554 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.322 -11.788 -13.861 1.00 0.00 H new ATOM 783 N GLU A 56 2.926 -7.493 -14.042 1.00 0.00 N ATOM 784 CA GLU A 56 2.487 -6.227 -13.466 1.00 0.00 C ATOM 785 C GLU A 56 1.103 -6.366 -12.837 1.00 0.00 C ATOM 786 O GLU A 56 0.410 -5.374 -12.609 1.00 0.00 O ATOM 787 CB GLU A 56 2.464 -5.134 -14.537 1.00 0.00 C ATOM 788 CG GLU A 56 1.371 -5.323 -15.576 1.00 0.00 C ATOM 789 CD GLU A 56 1.429 -4.284 -16.679 1.00 0.00 C ATOM 790 OE1 GLU A 56 2.536 -4.034 -17.201 1.00 0.00 O ATOM 791 OE2 GLU A 56 0.368 -3.720 -17.019 1.00 0.00 O ATOM 0 H GLU A 56 2.288 -7.887 -14.733 1.00 0.00 H new ATOM 0 HA GLU A 56 3.196 -5.947 -12.686 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.331 -4.166 -14.054 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.431 -5.109 -15.039 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.459 -6.317 -16.014 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.398 -5.275 -15.087 1.00 0.00 H new ATOM 798 N LEU A 57 0.709 -7.604 -12.559 1.00 0.00 N ATOM 799 CA LEU A 57 -0.592 -7.875 -11.957 1.00 0.00 C ATOM 800 C LEU A 57 -0.448 -8.205 -10.475 1.00 0.00 C ATOM 801 O LEU A 57 -1.312 -8.855 -9.886 1.00 0.00 O ATOM 802 CB LEU A 57 -1.282 -9.030 -12.684 1.00 0.00 C ATOM 803 CG LEU A 57 -1.708 -8.756 -14.127 1.00 0.00 C ATOM 804 CD1 LEU A 57 -2.296 -7.359 -14.254 1.00 0.00 C ATOM 805 CD2 LEU A 57 -0.529 -8.928 -15.073 1.00 0.00 C ATOM 0 H LEU A 57 1.271 -8.435 -12.741 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.203 -6.977 -12.053 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.610 -9.888 -12.681 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.166 -9.316 -12.113 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.477 -9.478 -14.402 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.593 -7.182 -15.288 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.168 -7.271 -13.605 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.549 -6.622 -13.960 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.851 -8.729 -16.095 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.262 -8.230 -14.799 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.152 -9.948 -15.003 1.00 0.00 H new ATOM 817 N TYR A 58 0.649 -7.753 -9.877 1.00 0.00 N ATOM 818 CA TYR A 58 0.907 -8.002 -8.464 1.00 0.00 C ATOM 819 C TYR A 58 -0.244 -7.492 -7.602 1.00 0.00 C ATOM 820 O TYR A 58 -0.335 -6.300 -7.309 1.00 0.00 O ATOM 821 CB TYR A 58 2.214 -7.331 -8.037 1.00 0.00 C ATOM 822 CG TYR A 58 3.409 -7.752 -8.863 1.00 0.00 C ATOM 823 CD1 TYR A 58 3.803 -9.083 -8.922 1.00 0.00 C ATOM 824 CD2 TYR A 58 4.142 -6.819 -9.585 1.00 0.00 C ATOM 825 CE1 TYR A 58 4.894 -9.472 -9.675 1.00 0.00 C ATOM 826 CE2 TYR A 58 5.234 -7.199 -10.342 1.00 0.00 C ATOM 827 CZ TYR A 58 5.606 -8.527 -10.383 1.00 0.00 C ATOM 828 OH TYR A 58 6.693 -8.910 -11.135 1.00 0.00 O ATOM 0 H TYR A 58 1.374 -7.212 -10.349 1.00 0.00 H new ATOM 0 HA TYR A 58 0.995 -9.079 -8.321 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.097 -6.250 -8.107 1.00 0.00 H new ATOM 0 HB3 TYR A 58 2.407 -7.563 -6.990 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.247 -9.826 -8.370 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.854 -5.779 -9.554 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.188 -10.511 -9.709 1.00 0.00 H new ATOM 0 HE2 TYR A 58 5.793 -6.461 -10.898 1.00 0.00 H new ATOM 0 HH TYR A 58 6.575 -8.605 -12.059 1.00 0.00 H new ATOM 838 N GLY A 59 -1.122 -8.405 -7.199 1.00 0.00 N ATOM 839 CA GLY A 59 -2.256 -8.030 -6.374 1.00 0.00 C ATOM 840 C GLY A 59 -1.858 -7.148 -5.208 1.00 0.00 C ATOM 841 O GLY A 59 -1.272 -7.621 -4.234 1.00 0.00 O ATOM 0 H GLY A 59 -1.069 -9.397 -7.429 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.990 -7.507 -6.987 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.740 -8.931 -5.996 1.00 0.00 H new ATOM 845 N TYR A 60 -2.175 -5.862 -5.306 1.00 0.00 N ATOM 846 CA TYR A 60 -1.843 -4.910 -4.252 1.00 0.00 C ATOM 847 C TYR A 60 -3.037 -4.680 -3.330 1.00 0.00 C ATOM 848 O TYR A 60 -4.076 -4.177 -3.756 1.00 0.00 O ATOM 849 CB TYR A 60 -1.391 -3.582 -4.860 1.00 0.00 C ATOM 850 CG TYR A 60 -0.135 -3.694 -5.694 1.00 0.00 C ATOM 851 CD1 TYR A 60 1.117 -3.768 -5.094 1.00 0.00 C ATOM 852 CD2 TYR A 60 -0.199 -3.725 -7.081 1.00 0.00 C ATOM 853 CE1 TYR A 60 2.267 -3.870 -5.851 1.00 0.00 C ATOM 854 CE2 TYR A 60 0.947 -3.828 -7.847 1.00 0.00 C ATOM 855 CZ TYR A 60 2.177 -3.900 -7.227 1.00 0.00 C ATOM 856 OH TYR A 60 3.320 -4.002 -7.987 1.00 0.00 O ATOM 0 H TYR A 60 -2.661 -5.454 -6.104 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.027 -5.329 -3.663 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.194 -3.184 -5.480 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.221 -2.864 -4.058 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.191 -3.745 -4.017 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.161 -3.668 -7.569 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.232 -3.926 -5.369 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.880 -3.852 -8.925 1.00 0.00 H new ATOM 0 HH TYR A 60 3.081 -4.011 -8.937 1.00 0.00 H new ATOM 866 N GLU A 61 -2.879 -5.053 -2.064 1.00 0.00 N ATOM 867 CA GLU A 61 -3.943 -4.888 -1.081 1.00 0.00 C ATOM 868 C GLU A 61 -3.606 -3.771 -0.097 1.00 0.00 C ATOM 869 O GLU A 61 -2.512 -3.733 0.466 1.00 0.00 O ATOM 870 CB GLU A 61 -4.176 -6.197 -0.323 1.00 0.00 C ATOM 871 CG GLU A 61 -5.066 -6.043 0.898 1.00 0.00 C ATOM 872 CD GLU A 61 -5.465 -7.376 1.501 1.00 0.00 C ATOM 873 OE1 GLU A 61 -4.640 -7.970 2.226 1.00 0.00 O ATOM 874 OE2 GLU A 61 -6.602 -7.825 1.248 1.00 0.00 O ATOM 0 H GLU A 61 -2.025 -5.471 -1.695 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.855 -4.618 -1.613 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.625 -6.924 -1.000 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -3.214 -6.603 -0.012 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.546 -5.450 1.650 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.964 -5.490 0.621 1.00 0.00 H new ATOM 881 N VAL A 62 -4.555 -2.863 0.106 1.00 0.00 N ATOM 882 CA VAL A 62 -4.361 -1.745 1.022 1.00 0.00 C ATOM 883 C VAL A 62 -4.838 -2.096 2.426 1.00 0.00 C ATOM 884 O VAL A 62 -5.998 -2.460 2.627 1.00 0.00 O ATOM 885 CB VAL A 62 -5.105 -0.487 0.538 1.00 0.00 C ATOM 886 CG1 VAL A 62 -4.964 0.640 1.550 1.00 0.00 C ATOM 887 CG2 VAL A 62 -4.590 -0.056 -0.827 1.00 0.00 C ATOM 0 H VAL A 62 -5.466 -2.880 -0.352 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.291 -1.538 1.046 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.164 -0.727 0.443 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.496 1.521 1.190 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.385 0.326 2.505 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.909 0.882 1.681 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.127 0.835 -1.154 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.525 0.166 -0.760 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.749 -0.860 -1.546 1.00 0.00 H new ATOM 897 N LEU A 63 -3.938 -1.983 3.397 1.00 0.00 N ATOM 898 CA LEU A 63 -4.267 -2.288 4.785 1.00 0.00 C ATOM 899 C LEU A 63 -4.188 -1.035 5.651 1.00 0.00 C ATOM 900 O LEU A 63 -3.212 -0.287 5.589 1.00 0.00 O ATOM 901 CB LEU A 63 -3.321 -3.360 5.330 1.00 0.00 C ATOM 902 CG LEU A 63 -3.074 -4.563 4.420 1.00 0.00 C ATOM 903 CD1 LEU A 63 -1.827 -5.315 4.856 1.00 0.00 C ATOM 904 CD2 LEU A 63 -4.283 -5.488 4.419 1.00 0.00 C ATOM 0 H LEU A 63 -2.975 -1.682 3.248 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.289 -2.665 4.816 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.361 -2.892 5.548 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.722 -3.722 6.277 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.918 -4.200 3.404 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.667 -6.168 4.197 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.965 -4.650 4.805 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.954 -5.667 5.880 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.090 -6.339 3.766 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.470 -5.843 5.432 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.156 -4.945 4.058 1.00 0.00 H new ATOM 916 N ILE A 64 -5.220 -0.815 6.458 1.00 0.00 N ATOM 917 CA ILE A 64 -5.265 0.346 7.339 1.00 0.00 C ATOM 918 C ILE A 64 -5.777 -0.035 8.724 1.00 0.00 C ATOM 919 O ILE A 64 -6.629 -0.913 8.863 1.00 0.00 O ATOM 920 CB ILE A 64 -6.161 1.457 6.761 1.00 0.00 C ATOM 921 CG1 ILE A 64 -7.602 0.961 6.625 1.00 0.00 C ATOM 922 CG2 ILE A 64 -5.626 1.922 5.415 1.00 0.00 C ATOM 923 CD1 ILE A 64 -8.617 2.078 6.518 1.00 0.00 C ATOM 0 H ILE A 64 -6.036 -1.424 6.520 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.244 0.720 7.421 1.00 0.00 H new ATOM 0 HB ILE A 64 -6.152 2.305 7.446 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.678 0.326 5.742 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.847 0.340 7.486 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -6.270 2.707 5.019 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.615 2.310 5.540 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -5.609 1.082 4.720 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -9.617 1.654 6.424 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -8.569 2.700 7.412 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -8.397 2.686 5.641 1.00 0.00 H new ATOM 935 N SER A 65 -5.252 0.632 9.747 1.00 0.00 N ATOM 936 CA SER A 65 -5.655 0.362 11.123 1.00 0.00 C ATOM 937 C SER A 65 -5.897 1.663 11.883 1.00 0.00 C ATOM 938 O SER A 65 -4.978 2.228 12.476 1.00 0.00 O ATOM 939 CB SER A 65 -4.585 -0.467 11.836 1.00 0.00 C ATOM 940 OG SER A 65 -5.058 -0.944 13.084 1.00 0.00 O ATOM 0 H SER A 65 -4.547 1.363 9.649 1.00 0.00 H new ATOM 0 HA SER A 65 -6.587 -0.203 11.099 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.294 -1.309 11.208 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.693 0.140 11.989 1.00 0.00 H new ATOM 0 HG SER A 65 -5.729 -1.643 12.934 1.00 0.00 H new ATOM 946 N SER A 66 -7.140 2.132 11.860 1.00 0.00 N ATOM 947 CA SER A 66 -7.504 3.367 12.543 1.00 0.00 C ATOM 948 C SER A 66 -7.016 3.353 13.989 1.00 0.00 C ATOM 949 O SER A 66 -6.874 4.401 14.620 1.00 0.00 O ATOM 950 CB SER A 66 -9.020 3.567 12.508 1.00 0.00 C ATOM 951 OG SER A 66 -9.661 2.794 13.507 1.00 0.00 O ATOM 0 H SER A 66 -7.912 1.675 11.375 1.00 0.00 H new ATOM 0 HA SER A 66 -7.023 4.195 12.023 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.254 4.621 12.654 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.404 3.288 11.527 1.00 0.00 H new ATOM 0 HG SER A 66 -10.629 2.942 13.464 1.00 0.00 H new ATOM 957 N THR A 67 -6.760 2.156 14.508 1.00 0.00 N ATOM 958 CA THR A 67 -6.288 2.003 15.879 1.00 0.00 C ATOM 959 C THR A 67 -4.765 1.988 15.938 1.00 0.00 C ATOM 960 O THR A 67 -4.169 1.153 16.617 1.00 0.00 O ATOM 961 CB THR A 67 -6.829 0.710 16.518 1.00 0.00 C ATOM 962 OG1 THR A 67 -6.522 -0.413 15.685 1.00 0.00 O ATOM 963 CG2 THR A 67 -8.333 0.797 16.726 1.00 0.00 C ATOM 0 H THR A 67 -6.872 1.279 14.000 1.00 0.00 H new ATOM 0 HA THR A 67 -6.661 2.860 16.440 1.00 0.00 H new ATOM 0 HB THR A 67 -6.351 0.583 17.489 1.00 0.00 H new ATOM 0 HG1 THR A 67 -5.915 -0.132 14.968 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.692 -0.128 17.178 1.00 0.00 H new ATOM 0 HG22 THR A 67 -8.561 1.635 17.384 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.825 0.946 15.765 1.00 0.00 H new ATOM 971 N GLY A 68 -4.140 2.917 15.222 1.00 0.00 N ATOM 972 CA GLY A 68 -2.691 2.993 15.208 1.00 0.00 C ATOM 973 C GLY A 68 -2.052 1.756 14.607 1.00 0.00 C ATOM 974 O GLY A 68 -2.716 0.740 14.407 1.00 0.00 O ATOM 0 H GLY A 68 -4.611 3.619 14.651 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.382 3.871 14.640 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.327 3.128 16.227 1.00 0.00 H new ATOM 978 N LYS A 69 -0.758 1.842 14.318 1.00 0.00 N ATOM 979 CA LYS A 69 -0.028 0.722 13.736 1.00 0.00 C ATOM 980 C LYS A 69 -0.119 -0.510 14.630 1.00 0.00 C ATOM 981 O LYS A 69 -0.082 -1.642 14.147 1.00 0.00 O ATOM 982 CB LYS A 69 1.439 1.101 13.519 1.00 0.00 C ATOM 983 CG LYS A 69 1.673 1.947 12.280 1.00 0.00 C ATOM 984 CD LYS A 69 3.115 1.861 11.809 1.00 0.00 C ATOM 985 CE LYS A 69 4.043 2.665 12.707 1.00 0.00 C ATOM 986 NZ LYS A 69 4.572 1.845 13.832 1.00 0.00 N ATOM 0 H LYS A 69 -0.193 2.676 14.477 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.482 0.485 12.774 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.798 1.645 14.393 1.00 0.00 H new ATOM 0 HB3 LYS A 69 2.033 0.190 13.444 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.008 1.616 11.482 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.421 2.985 12.495 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.433 0.819 11.795 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.187 2.230 10.786 1.00 0.00 H new ATOM 0 HE2 LYS A 69 4.874 3.052 12.117 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.507 3.526 13.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 4.388 2.332 14.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 4.101 0.918 13.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 5.597 1.712 13.713 1.00 0.00 H new ATOM 1000 N ASP A 70 -0.240 -0.282 15.933 1.00 0.00 N ATOM 1001 CA ASP A 70 -0.339 -1.375 16.894 1.00 0.00 C ATOM 1002 C ASP A 70 -1.791 -1.807 17.077 1.00 0.00 C ATOM 1003 O ASP A 70 -2.272 -1.941 18.201 1.00 0.00 O ATOM 1004 CB ASP A 70 0.254 -0.954 18.239 1.00 0.00 C ATOM 1005 CG ASP A 70 -0.661 -0.023 19.010 1.00 0.00 C ATOM 1006 OD1 ASP A 70 -1.099 0.992 18.430 1.00 0.00 O ATOM 1007 OD2 ASP A 70 -0.937 -0.309 20.194 1.00 0.00 O ATOM 0 H ASP A 70 -0.272 0.649 16.348 1.00 0.00 H new ATOM 0 HA ASP A 70 0.227 -2.221 16.505 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.453 -1.842 18.839 1.00 0.00 H new ATOM 0 HB3 ASP A 70 1.212 -0.461 18.072 1.00 0.00 H new ATOM 1012 N GLY A 71 -2.484 -2.022 15.963 1.00 0.00 N ATOM 1013 CA GLY A 71 -3.874 -2.435 16.022 1.00 0.00 C ATOM 1014 C GLY A 71 -4.203 -3.510 15.006 1.00 0.00 C ATOM 1015 O GLY A 71 -3.309 -4.170 14.476 1.00 0.00 O ATOM 0 H GLY A 71 -2.108 -1.918 15.021 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.098 -2.805 17.023 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.514 -1.570 15.851 1.00 0.00 H new ATOM 1019 N LYS A 72 -5.491 -3.689 14.732 1.00 0.00 N ATOM 1020 CA LYS A 72 -5.938 -4.691 13.772 1.00 0.00 C ATOM 1021 C LYS A 72 -6.068 -4.089 12.377 1.00 0.00 C ATOM 1022 O LYS A 72 -6.769 -3.096 12.181 1.00 0.00 O ATOM 1023 CB LYS A 72 -7.280 -5.284 14.210 1.00 0.00 C ATOM 1024 CG LYS A 72 -7.845 -6.299 13.231 1.00 0.00 C ATOM 1025 CD LYS A 72 -7.176 -7.655 13.386 1.00 0.00 C ATOM 1026 CE LYS A 72 -7.776 -8.683 12.439 1.00 0.00 C ATOM 1027 NZ LYS A 72 -6.804 -9.759 12.101 1.00 0.00 N ATOM 0 H LYS A 72 -6.244 -3.152 15.162 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.191 -5.484 13.738 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.157 -5.760 15.183 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.000 -4.476 14.339 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.918 -6.401 13.391 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.707 -5.939 12.212 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.108 -7.559 13.192 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.283 -8.000 14.415 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.662 -9.124 12.896 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.102 -8.188 11.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.251 -10.440 11.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.969 -9.341 11.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.512 -10.249 12.971 1.00 0.00 H new ATOM 1041 N TYR A 73 -5.389 -4.697 11.410 1.00 0.00 N ATOM 1042 CA TYR A 73 -5.427 -4.219 10.033 1.00 0.00 C ATOM 1043 C TYR A 73 -6.561 -4.883 9.258 1.00 0.00 C ATOM 1044 O TYR A 73 -6.908 -6.038 9.508 1.00 0.00 O ATOM 1045 CB TYR A 73 -4.092 -4.493 9.339 1.00 0.00 C ATOM 1046 CG TYR A 73 -3.019 -3.481 9.671 1.00 0.00 C ATOM 1047 CD1 TYR A 73 -2.310 -3.558 10.864 1.00 0.00 C ATOM 1048 CD2 TYR A 73 -2.714 -2.448 8.794 1.00 0.00 C ATOM 1049 CE1 TYR A 73 -1.328 -2.636 11.172 1.00 0.00 C ATOM 1050 CE2 TYR A 73 -1.733 -1.522 9.093 1.00 0.00 C ATOM 1051 CZ TYR A 73 -1.044 -1.620 10.284 1.00 0.00 C ATOM 1052 OH TYR A 73 -0.067 -0.699 10.586 1.00 0.00 O ATOM 0 H TYR A 73 -4.806 -5.521 11.554 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.605 -3.144 10.053 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -3.743 -5.486 9.621 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -4.248 -4.504 8.260 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -2.530 -4.352 11.562 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.253 -2.367 7.862 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.786 -2.711 12.103 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -1.507 -0.726 8.398 1.00 0.00 H new ATOM 0 HH TYR A 73 0.616 -1.120 11.148 1.00 0.00 H new ATOM 1062 N LYS A 74 -7.136 -4.145 8.315 1.00 0.00 N ATOM 1063 CA LYS A 74 -8.230 -4.660 7.500 1.00 0.00 C ATOM 1064 C LYS A 74 -7.960 -4.427 6.017 1.00 0.00 C ATOM 1065 O LYS A 74 -6.989 -3.765 5.649 1.00 0.00 O ATOM 1066 CB LYS A 74 -9.548 -3.993 7.900 1.00 0.00 C ATOM 1067 CG LYS A 74 -9.746 -2.619 7.285 1.00 0.00 C ATOM 1068 CD LYS A 74 -11.166 -2.116 7.489 1.00 0.00 C ATOM 1069 CE LYS A 74 -11.303 -1.354 8.799 1.00 0.00 C ATOM 1070 NZ LYS A 74 -11.582 -2.265 9.943 1.00 0.00 N ATOM 0 H LYS A 74 -6.862 -3.187 8.096 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.305 -5.734 7.673 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.376 -4.637 7.604 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.586 -3.905 8.986 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.042 -1.915 7.730 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.524 -2.661 6.219 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.447 -1.468 6.659 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.857 -2.959 7.483 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.386 -0.797 8.993 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.107 -0.623 8.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.244 -1.805 10.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.003 -3.148 9.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.694 -2.480 10.440 1.00 0.00 H new ATOM 1084 N SER A 75 -8.826 -4.973 5.169 1.00 0.00 N ATOM 1085 CA SER A 75 -8.679 -4.827 3.726 1.00 0.00 C ATOM 1086 C SER A 75 -9.699 -3.835 3.174 1.00 0.00 C ATOM 1087 O SER A 75 -10.894 -4.124 3.115 1.00 0.00 O ATOM 1088 CB SER A 75 -8.843 -6.182 3.035 1.00 0.00 C ATOM 1089 OG SER A 75 -7.948 -7.140 3.573 1.00 0.00 O ATOM 0 H SER A 75 -9.637 -5.521 5.457 1.00 0.00 H new ATOM 0 HA SER A 75 -7.679 -4.444 3.525 1.00 0.00 H new ATOM 0 HB2 SER A 75 -9.869 -6.532 3.152 1.00 0.00 H new ATOM 0 HB3 SER A 75 -8.664 -6.072 1.965 1.00 0.00 H new ATOM 0 HG SER A 75 -7.481 -7.598 2.843 1.00 0.00 H new ATOM 1095 N VAL A 76 -9.218 -2.664 2.770 1.00 0.00 N ATOM 1096 CA VAL A 76 -10.086 -1.629 2.221 1.00 0.00 C ATOM 1097 C VAL A 76 -10.148 -1.713 0.701 1.00 0.00 C ATOM 1098 O VAL A 76 -11.171 -1.397 0.092 1.00 0.00 O ATOM 1099 CB VAL A 76 -9.607 -0.222 2.627 1.00 0.00 C ATOM 1100 CG1 VAL A 76 -9.802 -0.002 4.120 1.00 0.00 C ATOM 1101 CG2 VAL A 76 -8.151 -0.022 2.236 1.00 0.00 C ATOM 0 H VAL A 76 -8.232 -2.408 2.813 1.00 0.00 H new ATOM 0 HA VAL A 76 -11.081 -1.799 2.632 1.00 0.00 H new ATOM 0 HB VAL A 76 -10.207 0.515 2.094 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -9.458 0.997 4.389 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -10.859 -0.101 4.367 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -9.229 -0.744 4.675 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.829 0.977 2.530 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -7.533 -0.765 2.740 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -8.045 -0.134 1.157 1.00 0.00 H new ATOM 1111 N TYR A 77 -9.048 -2.142 0.092 1.00 0.00 N ATOM 1112 CA TYR A 77 -8.977 -2.266 -1.359 1.00 0.00 C ATOM 1113 C TYR A 77 -8.087 -3.438 -1.763 1.00 0.00 C ATOM 1114 O TYR A 77 -7.166 -3.812 -1.036 1.00 0.00 O ATOM 1115 CB TYR A 77 -8.446 -0.972 -1.978 1.00 0.00 C ATOM 1116 CG TYR A 77 -8.208 -1.066 -3.468 1.00 0.00 C ATOM 1117 CD1 TYR A 77 -7.051 -1.645 -3.972 1.00 0.00 C ATOM 1118 CD2 TYR A 77 -9.143 -0.576 -4.373 1.00 0.00 C ATOM 1119 CE1 TYR A 77 -6.829 -1.733 -5.332 1.00 0.00 C ATOM 1120 CE2 TYR A 77 -8.930 -0.660 -5.735 1.00 0.00 C ATOM 1121 CZ TYR A 77 -7.771 -1.239 -6.210 1.00 0.00 C ATOM 1122 OH TYR A 77 -7.555 -1.325 -7.566 1.00 0.00 O ATOM 0 H TYR A 77 -8.194 -2.410 0.581 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.984 -2.452 -1.731 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.155 -0.168 -1.782 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.512 -0.700 -1.486 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -6.311 -2.034 -3.288 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -10.051 -0.122 -4.005 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -5.923 -2.186 -5.706 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.667 -0.275 -6.425 1.00 0.00 H new ATOM 0 HH TYR A 77 -8.315 -0.932 -8.044 1.00 0.00 H new ATOM 1132 N VAL A 78 -8.369 -4.013 -2.927 1.00 0.00 N ATOM 1133 CA VAL A 78 -7.594 -5.141 -3.430 1.00 0.00 C ATOM 1134 C VAL A 78 -7.666 -5.223 -4.951 1.00 0.00 C ATOM 1135 O VAL A 78 -8.705 -5.559 -5.517 1.00 0.00 O ATOM 1136 CB VAL A 78 -8.088 -6.472 -2.832 1.00 0.00 C ATOM 1137 CG1 VAL A 78 -7.288 -7.639 -3.392 1.00 0.00 C ATOM 1138 CG2 VAL A 78 -8.003 -6.437 -1.313 1.00 0.00 C ATOM 0 H VAL A 78 -9.129 -3.716 -3.540 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.560 -4.975 -3.126 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.132 -6.611 -3.112 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.651 -8.571 -2.958 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.405 -7.674 -4.475 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.234 -7.510 -3.144 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -8.356 -7.385 -0.907 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.969 -6.275 -1.010 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.624 -5.626 -0.932 1.00 0.00 H new ATOM 1148 N GLY A 79 -6.552 -4.913 -5.608 1.00 0.00 N ATOM 1149 CA GLY A 79 -6.509 -4.958 -7.058 1.00 0.00 C ATOM 1150 C GLY A 79 -5.098 -5.106 -7.592 1.00 0.00 C ATOM 1151 O GLY A 79 -4.236 -5.686 -6.933 1.00 0.00 O ATOM 0 H GLY A 79 -5.679 -4.632 -5.162 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.117 -5.791 -7.411 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.953 -4.047 -7.460 1.00 0.00 H new ATOM 1155 N GLU A 80 -4.862 -4.581 -8.790 1.00 0.00 N ATOM 1156 CA GLU A 80 -3.546 -4.660 -9.413 1.00 0.00 C ATOM 1157 C GLU A 80 -3.011 -3.267 -9.732 1.00 0.00 C ATOM 1158 O GLU A 80 -1.803 -3.035 -9.705 1.00 0.00 O ATOM 1159 CB GLU A 80 -3.612 -5.498 -10.691 1.00 0.00 C ATOM 1160 CG GLU A 80 -4.124 -6.911 -10.467 1.00 0.00 C ATOM 1161 CD GLU A 80 -5.513 -6.939 -9.859 1.00 0.00 C ATOM 1162 OE1 GLU A 80 -6.403 -6.236 -10.382 1.00 0.00 O ATOM 1163 OE2 GLU A 80 -5.709 -7.662 -8.860 1.00 0.00 O ATOM 0 H GLU A 80 -5.565 -4.097 -9.348 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.866 -5.139 -8.708 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.258 -4.996 -11.411 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.618 -5.547 -11.135 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -4.137 -7.444 -11.418 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.434 -7.444 -9.813 1.00 0.00 H new ATOM 1170 N GLU A 81 -3.919 -2.345 -10.034 1.00 0.00 N ATOM 1171 CA GLU A 81 -3.538 -0.976 -10.359 1.00 0.00 C ATOM 1172 C GLU A 81 -2.671 -0.375 -9.256 1.00 0.00 C ATOM 1173 O GLU A 81 -3.059 -0.351 -8.088 1.00 0.00 O ATOM 1174 CB GLU A 81 -4.783 -0.112 -10.570 1.00 0.00 C ATOM 1175 CG GLU A 81 -5.276 -0.095 -12.008 1.00 0.00 C ATOM 1176 CD GLU A 81 -6.773 0.126 -12.109 1.00 0.00 C ATOM 1177 OE1 GLU A 81 -7.534 -0.795 -11.744 1.00 0.00 O ATOM 1178 OE2 GLU A 81 -7.183 1.218 -12.553 1.00 0.00 O ATOM 0 H GLU A 81 -4.923 -2.521 -10.060 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.959 -0.998 -11.282 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.582 -0.478 -9.925 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -4.563 0.909 -10.258 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.759 0.692 -12.556 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.019 -1.039 -12.488 1.00 0.00 H new ATOM 1185 N THR A 82 -1.492 0.109 -9.636 1.00 0.00 N ATOM 1186 CA THR A 82 -0.568 0.707 -8.681 1.00 0.00 C ATOM 1187 C THR A 82 -1.200 1.905 -7.982 1.00 0.00 C ATOM 1188 O THR A 82 -1.054 2.078 -6.772 1.00 0.00 O ATOM 1189 CB THR A 82 0.736 1.156 -9.366 1.00 0.00 C ATOM 1190 OG1 THR A 82 0.439 2.029 -10.461 1.00 0.00 O ATOM 1191 CG2 THR A 82 1.525 -0.044 -9.868 1.00 0.00 C ATOM 0 H THR A 82 -1.155 0.098 -10.599 1.00 0.00 H new ATOM 0 HA THR A 82 -0.336 -0.061 -7.943 1.00 0.00 H new ATOM 0 HB THR A 82 1.341 1.688 -8.632 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.274 2.311 -10.890 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.442 0.298 -10.348 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.775 -0.692 -9.028 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.924 -0.599 -10.588 1.00 0.00 H new ATOM 1199 N ASN A 83 -1.903 2.730 -8.751 1.00 0.00 N ATOM 1200 CA ASN A 83 -2.558 3.913 -8.204 1.00 0.00 C ATOM 1201 C ASN A 83 -4.051 3.669 -8.013 1.00 0.00 C ATOM 1202 O ASN A 83 -4.753 3.289 -8.950 1.00 0.00 O ATOM 1203 CB ASN A 83 -2.340 5.114 -9.127 1.00 0.00 C ATOM 1204 CG ASN A 83 -3.481 6.110 -9.058 1.00 0.00 C ATOM 1205 OD1 ASN A 83 -4.229 6.282 -10.021 1.00 0.00 O ATOM 1206 ND2 ASN A 83 -3.619 6.774 -7.916 1.00 0.00 N ATOM 0 H ASN A 83 -2.034 2.601 -9.754 1.00 0.00 H new ATOM 0 HA ASN A 83 -2.116 4.126 -7.231 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -1.409 5.613 -8.857 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -2.228 4.765 -10.153 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -4.368 7.458 -7.811 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -2.976 6.599 -7.144 1.00 0.00 H new ATOM 1213 N ILE A 84 -4.530 3.890 -6.793 1.00 0.00 N ATOM 1214 CA ILE A 84 -5.940 3.695 -6.480 1.00 0.00 C ATOM 1215 C ILE A 84 -6.414 4.699 -5.434 1.00 0.00 C ATOM 1216 O ILE A 84 -5.606 5.340 -4.760 1.00 0.00 O ATOM 1217 CB ILE A 84 -6.211 2.269 -5.966 1.00 0.00 C ATOM 1218 CG1 ILE A 84 -5.885 2.170 -4.474 1.00 0.00 C ATOM 1219 CG2 ILE A 84 -5.398 1.257 -6.760 1.00 0.00 C ATOM 1220 CD1 ILE A 84 -7.057 2.497 -3.577 1.00 0.00 C ATOM 0 H ILE A 84 -3.962 4.204 -6.006 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.493 3.849 -7.406 1.00 0.00 H new ATOM 0 HB ILE A 84 -7.269 2.044 -6.103 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.539 1.161 -4.252 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -5.062 2.847 -4.244 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -5.600 0.254 -6.385 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -5.675 1.314 -7.813 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.336 1.478 -6.652 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.753 2.406 -2.534 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.390 3.517 -3.771 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.874 1.804 -3.779 1.00 0.00 H new ATOM 1232 N THR A 85 -7.730 4.830 -5.301 1.00 0.00 N ATOM 1233 CA THR A 85 -8.313 5.754 -4.336 1.00 0.00 C ATOM 1234 C THR A 85 -8.976 5.004 -3.187 1.00 0.00 C ATOM 1235 O THR A 85 -9.809 4.123 -3.405 1.00 0.00 O ATOM 1236 CB THR A 85 -9.353 6.677 -5.000 1.00 0.00 C ATOM 1237 OG1 THR A 85 -8.729 7.462 -6.022 1.00 0.00 O ATOM 1238 CG2 THR A 85 -9.997 7.594 -3.972 1.00 0.00 C ATOM 0 H THR A 85 -8.413 4.307 -5.850 1.00 0.00 H new ATOM 0 HA THR A 85 -7.496 6.361 -3.946 1.00 0.00 H new ATOM 0 HB THR A 85 -10.129 6.053 -5.444 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.397 8.045 -6.440 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.727 8.236 -4.464 1.00 0.00 H new ATOM 0 HG22 THR A 85 -10.496 6.994 -3.211 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.230 8.210 -3.503 1.00 0.00 H new ATOM 1246 N LEU A 86 -8.604 5.359 -1.962 1.00 0.00 N ATOM 1247 CA LEU A 86 -9.164 4.719 -0.777 1.00 0.00 C ATOM 1248 C LEU A 86 -10.566 5.243 -0.487 1.00 0.00 C ATOM 1249 O LEU A 86 -10.914 6.359 -0.868 1.00 0.00 O ATOM 1250 CB LEU A 86 -8.257 4.958 0.432 1.00 0.00 C ATOM 1251 CG LEU A 86 -6.794 4.549 0.265 1.00 0.00 C ATOM 1252 CD1 LEU A 86 -5.941 5.153 1.370 1.00 0.00 C ATOM 1253 CD2 LEU A 86 -6.661 3.033 0.256 1.00 0.00 C ATOM 0 H LEU A 86 -7.917 6.086 -1.764 1.00 0.00 H new ATOM 0 HA LEU A 86 -9.229 3.648 -0.969 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -8.291 6.018 0.682 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.670 4.417 1.283 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.438 4.931 -0.692 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.903 4.851 1.234 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -6.011 6.240 1.330 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.298 4.802 2.338 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.612 2.760 0.136 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.036 2.629 1.197 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.240 2.622 -0.571 1.00 0.00 H new ATOM 1265 N ASN A 87 -11.368 4.428 0.193 1.00 0.00 N ATOM 1266 CA ASN A 87 -12.733 4.810 0.536 1.00 0.00 C ATOM 1267 C ASN A 87 -13.175 4.141 1.833 1.00 0.00 C ATOM 1268 O ASN A 87 -12.450 3.324 2.401 1.00 0.00 O ATOM 1269 CB ASN A 87 -13.690 4.434 -0.597 1.00 0.00 C ATOM 1270 CG ASN A 87 -13.568 5.363 -1.790 1.00 0.00 C ATOM 1271 OD1 ASN A 87 -14.419 6.225 -2.009 1.00 0.00 O ATOM 1272 ND2 ASN A 87 -12.506 5.190 -2.568 1.00 0.00 N ATOM 0 H ASN A 87 -11.096 3.500 0.517 1.00 0.00 H new ATOM 0 HA ASN A 87 -12.757 5.890 0.679 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -13.488 3.411 -0.915 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -14.715 4.456 -0.226 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -12.370 5.785 -3.386 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -11.826 4.462 -2.348 1.00 0.00 H new ATOM 1279 N ASP A 88 -14.369 4.493 2.297 1.00 0.00 N ATOM 1280 CA ASP A 88 -14.910 3.926 3.527 1.00 0.00 C ATOM 1281 C ASP A 88 -13.986 4.209 4.708 1.00 0.00 C ATOM 1282 O ASP A 88 -13.896 3.414 5.644 1.00 0.00 O ATOM 1283 CB ASP A 88 -15.112 2.418 3.372 1.00 0.00 C ATOM 1284 CG ASP A 88 -16.066 2.075 2.245 1.00 0.00 C ATOM 1285 OD1 ASP A 88 -15.809 2.501 1.100 1.00 0.00 O ATOM 1286 OD2 ASP A 88 -17.071 1.381 2.509 1.00 0.00 O ATOM 0 H ASP A 88 -14.981 5.169 1.840 1.00 0.00 H new ATOM 0 HA ASP A 88 -15.874 4.396 3.722 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -14.149 1.942 3.186 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -15.495 2.008 4.306 1.00 0.00 H new ATOM 1291 N LEU A 89 -13.301 5.346 4.657 1.00 0.00 N ATOM 1292 CA LEU A 89 -12.383 5.735 5.722 1.00 0.00 C ATOM 1293 C LEU A 89 -13.050 6.710 6.687 1.00 0.00 C ATOM 1294 O LEU A 89 -14.231 7.027 6.549 1.00 0.00 O ATOM 1295 CB LEU A 89 -11.122 6.367 5.130 1.00 0.00 C ATOM 1296 CG LEU A 89 -10.352 5.513 4.122 1.00 0.00 C ATOM 1297 CD1 LEU A 89 -9.079 6.220 3.686 1.00 0.00 C ATOM 1298 CD2 LEU A 89 -10.030 4.149 4.716 1.00 0.00 C ATOM 0 H LEU A 89 -13.364 6.015 3.889 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.106 4.838 6.275 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.402 7.302 4.645 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.449 6.622 5.949 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.980 5.366 3.244 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.544 5.597 2.969 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.333 7.173 3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.446 6.398 4.555 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -9.482 3.554 3.985 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -9.421 4.276 5.611 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.957 3.638 4.978 1.00 0.00 H new ATOM 1310 N LYS A 90 -12.284 7.183 7.664 1.00 0.00 N ATOM 1311 CA LYS A 90 -12.798 8.125 8.652 1.00 0.00 C ATOM 1312 C LYS A 90 -12.077 9.466 8.552 1.00 0.00 C ATOM 1313 O LYS A 90 -10.851 9.546 8.630 1.00 0.00 O ATOM 1314 CB LYS A 90 -12.641 7.553 10.062 1.00 0.00 C ATOM 1315 CG LYS A 90 -13.774 6.630 10.474 1.00 0.00 C ATOM 1316 CD LYS A 90 -13.315 5.607 11.500 1.00 0.00 C ATOM 1317 CE LYS A 90 -12.754 4.361 10.831 1.00 0.00 C ATOM 1318 NZ LYS A 90 -11.407 4.605 10.245 1.00 0.00 N ATOM 0 H LYS A 90 -11.304 6.930 7.793 1.00 0.00 H new ATOM 0 HA LYS A 90 -13.857 8.286 8.448 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -11.699 7.007 10.121 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -12.577 8.376 10.774 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -14.592 7.219 10.887 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -14.163 6.116 9.595 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -12.554 6.050 12.143 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -14.153 5.332 12.141 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -12.692 3.554 11.561 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -13.436 4.031 10.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -10.932 3.695 10.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -11.507 5.116 9.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -10.839 5.174 10.905 1.00 0.00 H new ATOM 1332 N PRO A 91 -12.854 10.545 8.375 1.00 0.00 N ATOM 1333 CA PRO A 91 -12.311 11.902 8.263 1.00 0.00 C ATOM 1334 C PRO A 91 -11.739 12.408 9.583 1.00 0.00 C ATOM 1335 O PRO A 91 -12.062 11.889 10.650 1.00 0.00 O ATOM 1336 CB PRO A 91 -13.526 12.737 7.851 1.00 0.00 C ATOM 1337 CG PRO A 91 -14.700 11.976 8.363 1.00 0.00 C ATOM 1338 CD PRO A 91 -14.323 10.523 8.272 1.00 0.00 C ATOM 0 HA PRO A 91 -11.482 11.953 7.557 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -13.484 13.737 8.282 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -13.574 12.858 6.769 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -14.928 12.256 9.391 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -15.590 12.186 7.770 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -14.774 9.940 9.075 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -14.653 10.080 7.332 1.00 0.00 H new ATOM 1346 N ALA A 92 -10.887 13.425 9.501 1.00 0.00 N ATOM 1347 CA ALA A 92 -10.272 14.003 10.690 1.00 0.00 C ATOM 1348 C ALA A 92 -9.613 12.926 11.546 1.00 0.00 C ATOM 1349 O ALA A 92 -9.616 13.008 12.774 1.00 0.00 O ATOM 1350 CB ALA A 92 -11.308 14.766 11.502 1.00 0.00 C ATOM 0 H ALA A 92 -10.607 13.865 8.624 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.497 14.698 10.367 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -10.835 15.192 12.387 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -11.729 15.567 10.894 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -12.103 14.086 11.808 1.00 0.00 H new ATOM 1356 N MET A 93 -9.050 11.917 10.890 1.00 0.00 N ATOM 1357 CA MET A 93 -8.388 10.824 11.592 1.00 0.00 C ATOM 1358 C MET A 93 -6.983 10.597 11.042 1.00 0.00 C ATOM 1359 O MET A 93 -6.728 10.810 9.857 1.00 0.00 O ATOM 1360 CB MET A 93 -9.209 9.539 11.471 1.00 0.00 C ATOM 1361 CG MET A 93 -8.598 8.356 12.204 1.00 0.00 C ATOM 1362 SD MET A 93 -9.158 8.234 13.914 1.00 0.00 S ATOM 1363 CE MET A 93 -10.731 7.406 13.697 1.00 0.00 C ATOM 0 H MET A 93 -9.039 11.834 9.873 1.00 0.00 H new ATOM 0 HA MET A 93 -8.308 11.097 12.644 1.00 0.00 H new ATOM 0 HB2 MET A 93 -10.211 9.720 11.861 1.00 0.00 H new ATOM 0 HB3 MET A 93 -9.318 9.285 10.417 1.00 0.00 H new ATOM 0 HG2 MET A 93 -8.851 7.436 11.676 1.00 0.00 H new ATOM 0 HG3 MET A 93 -7.512 8.445 12.187 1.00 0.00 H new ATOM 0 HE1 MET A 93 -11.325 7.509 14.605 1.00 0.00 H new ATOM 0 HE2 MET A 93 -11.266 7.855 12.861 1.00 0.00 H new ATOM 0 HE3 MET A 93 -10.561 6.349 13.493 1.00 0.00 H new ATOM 1373 N ASP A 94 -6.076 10.164 11.910 1.00 0.00 N ATOM 1374 CA ASP A 94 -4.697 9.908 11.511 1.00 0.00 C ATOM 1375 C ASP A 94 -4.331 8.443 11.730 1.00 0.00 C ATOM 1376 O ASP A 94 -4.323 7.957 12.861 1.00 0.00 O ATOM 1377 CB ASP A 94 -3.740 10.808 12.296 1.00 0.00 C ATOM 1378 CG ASP A 94 -4.140 10.948 13.751 1.00 0.00 C ATOM 1379 OD1 ASP A 94 -4.400 9.911 14.398 1.00 0.00 O ATOM 1380 OD2 ASP A 94 -4.193 12.094 14.244 1.00 0.00 O ATOM 0 H ASP A 94 -6.271 9.983 12.895 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.605 10.132 10.448 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -2.731 10.399 12.237 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -3.712 11.795 11.833 1.00 0.00 H new ATOM 1385 N TYR A 95 -4.031 7.745 10.641 1.00 0.00 N ATOM 1386 CA TYR A 95 -3.668 6.334 10.713 1.00 0.00 C ATOM 1387 C TYR A 95 -2.607 5.991 9.672 1.00 0.00 C ATOM 1388 O TYR A 95 -2.286 6.803 8.804 1.00 0.00 O ATOM 1389 CB TYR A 95 -4.904 5.457 10.507 1.00 0.00 C ATOM 1390 CG TYR A 95 -5.877 6.011 9.490 1.00 0.00 C ATOM 1391 CD1 TYR A 95 -6.596 7.171 9.748 1.00 0.00 C ATOM 1392 CD2 TYR A 95 -6.076 5.373 8.271 1.00 0.00 C ATOM 1393 CE1 TYR A 95 -7.486 7.680 8.822 1.00 0.00 C ATOM 1394 CE2 TYR A 95 -6.963 5.876 7.339 1.00 0.00 C ATOM 1395 CZ TYR A 95 -7.666 7.029 7.619 1.00 0.00 C ATOM 1396 OH TYR A 95 -8.551 7.533 6.694 1.00 0.00 O ATOM 0 H TYR A 95 -4.032 8.133 9.698 1.00 0.00 H new ATOM 0 HA TYR A 95 -3.255 6.141 11.703 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -4.586 4.464 10.190 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -5.417 5.337 11.461 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -6.457 7.684 10.688 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -5.528 4.469 8.049 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -8.038 8.583 9.039 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -7.105 5.369 6.396 1.00 0.00 H new ATOM 0 HH TYR A 95 -8.964 8.349 7.047 1.00 0.00 H new ATOM 1406 N HIS A 96 -2.067 4.780 9.765 1.00 0.00 N ATOM 1407 CA HIS A 96 -1.042 4.326 8.831 1.00 0.00 C ATOM 1408 C HIS A 96 -1.627 3.348 7.816 1.00 0.00 C ATOM 1409 O HIS A 96 -2.550 2.596 8.125 1.00 0.00 O ATOM 1410 CB HIS A 96 0.111 3.665 9.587 1.00 0.00 C ATOM 1411 CG HIS A 96 0.638 4.494 10.718 1.00 0.00 C ATOM 1412 ND1 HIS A 96 -0.161 4.978 11.732 1.00 0.00 N ATOM 1413 CD2 HIS A 96 1.892 4.922 10.992 1.00 0.00 C ATOM 1414 CE1 HIS A 96 0.579 5.670 12.580 1.00 0.00 C ATOM 1415 NE2 HIS A 96 1.829 5.650 12.155 1.00 0.00 N ATOM 0 H HIS A 96 -2.322 4.096 10.477 1.00 0.00 H new ATOM 0 HA HIS A 96 -0.663 5.196 8.295 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -0.225 2.704 9.977 1.00 0.00 H new ATOM 0 HB3 HIS A 96 0.922 3.460 8.889 1.00 0.00 H new ATOM 0 HD2 HIS A 96 2.778 4.727 10.405 1.00 0.00 H new ATOM 0 HE1 HIS A 96 0.222 6.168 13.470 1.00 0.00 H new ATOM 0 HE2 HIS A 96 2.619 6.102 12.615 1.00 0.00 H new ATOM 1424 N ALA A 97 -1.083 3.366 6.603 1.00 0.00 N ATOM 1425 CA ALA A 97 -1.550 2.480 5.544 1.00 0.00 C ATOM 1426 C ALA A 97 -0.382 1.776 4.862 1.00 0.00 C ATOM 1427 O ALA A 97 0.733 2.297 4.823 1.00 0.00 O ATOM 1428 CB ALA A 97 -2.366 3.261 4.524 1.00 0.00 C ATOM 0 H ALA A 97 -0.319 3.984 6.330 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.186 1.718 5.996 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.708 2.587 3.739 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.228 3.712 5.016 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.747 4.044 4.086 1.00 0.00 H new ATOM 1434 N LYS A 98 -0.643 0.589 4.326 1.00 0.00 N ATOM 1435 CA LYS A 98 0.386 -0.188 3.645 1.00 0.00 C ATOM 1436 C LYS A 98 -0.181 -0.875 2.407 1.00 0.00 C ATOM 1437 O LYS A 98 -1.387 -0.839 2.162 1.00 0.00 O ATOM 1438 CB LYS A 98 0.978 -1.232 4.594 1.00 0.00 C ATOM 1439 CG LYS A 98 1.519 -0.642 5.886 1.00 0.00 C ATOM 1440 CD LYS A 98 2.128 -1.713 6.775 1.00 0.00 C ATOM 1441 CE LYS A 98 2.441 -1.173 8.163 1.00 0.00 C ATOM 1442 NZ LYS A 98 3.322 -2.096 8.931 1.00 0.00 N ATOM 0 H LYS A 98 -1.560 0.143 4.350 1.00 0.00 H new ATOM 0 HA LYS A 98 1.174 0.497 3.331 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.212 -1.969 4.834 1.00 0.00 H new ATOM 0 HB3 LYS A 98 1.781 -1.762 4.082 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.271 0.112 5.656 1.00 0.00 H new ATOM 0 HG3 LYS A 98 0.715 -0.137 6.421 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.440 -2.554 6.857 1.00 0.00 H new ATOM 0 HD3 LYS A 98 3.041 -2.092 6.316 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.924 -0.200 8.074 1.00 0.00 H new ATOM 0 HE3 LYS A 98 1.511 -1.018 8.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 3.512 -1.693 9.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.851 -3.017 9.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 4.219 -2.224 8.421 1.00 0.00 H new ATOM 1456 N VAL A 99 0.696 -1.501 1.629 1.00 0.00 N ATOM 1457 CA VAL A 99 0.282 -2.199 0.418 1.00 0.00 C ATOM 1458 C VAL A 99 0.970 -3.554 0.302 1.00 0.00 C ATOM 1459 O VAL A 99 2.197 -3.635 0.240 1.00 0.00 O ATOM 1460 CB VAL A 99 0.593 -1.369 -0.842 1.00 0.00 C ATOM 1461 CG1 VAL A 99 2.058 -1.507 -1.225 1.00 0.00 C ATOM 1462 CG2 VAL A 99 -0.309 -1.789 -1.992 1.00 0.00 C ATOM 0 H VAL A 99 1.698 -1.539 1.816 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.795 -2.347 0.491 1.00 0.00 H new ATOM 0 HB VAL A 99 0.398 -0.320 -0.622 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.258 -0.914 -2.117 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.683 -1.153 -0.406 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.284 -2.554 -1.427 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.076 -1.192 -2.874 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.148 -2.844 -2.214 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.351 -1.632 -1.713 1.00 0.00 H new ATOM 1472 N GLN A 100 0.172 -4.617 0.274 1.00 0.00 N ATOM 1473 CA GLN A 100 0.705 -5.969 0.166 1.00 0.00 C ATOM 1474 C GLN A 100 0.554 -6.502 -1.256 1.00 0.00 C ATOM 1475 O GLN A 100 -0.527 -6.444 -1.839 1.00 0.00 O ATOM 1476 CB GLN A 100 -0.006 -6.900 1.149 1.00 0.00 C ATOM 1477 CG GLN A 100 0.702 -8.230 1.350 1.00 0.00 C ATOM 1478 CD GLN A 100 0.134 -9.026 2.508 1.00 0.00 C ATOM 1479 OE1 GLN A 100 -0.789 -8.579 3.189 1.00 0.00 O ATOM 1480 NE2 GLN A 100 0.683 -10.213 2.737 1.00 0.00 N ATOM 0 H GLN A 100 -0.846 -4.567 0.325 1.00 0.00 H new ATOM 0 HA GLN A 100 1.766 -5.934 0.411 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.096 -6.397 2.112 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -1.018 -7.088 0.791 1.00 0.00 H new ATOM 0 HG2 GLN A 100 0.625 -8.820 0.437 1.00 0.00 H new ATOM 0 HG3 GLN A 100 1.763 -8.050 1.524 1.00 0.00 H new ATOM 0 HE21 GLN A 100 1.446 -10.544 2.147 1.00 0.00 H new ATOM 0 HE22 GLN A 100 0.341 -10.794 3.503 1.00 0.00 H new ATOM 1489 N ALA A 101 1.647 -7.020 -1.807 1.00 0.00 N ATOM 1490 CA ALA A 101 1.636 -7.564 -3.159 1.00 0.00 C ATOM 1491 C ALA A 101 1.419 -9.073 -3.141 1.00 0.00 C ATOM 1492 O ALA A 101 2.081 -9.796 -2.396 1.00 0.00 O ATOM 1493 CB ALA A 101 2.935 -7.224 -3.875 1.00 0.00 C ATOM 0 H ALA A 101 2.551 -7.074 -1.338 1.00 0.00 H new ATOM 0 HA ALA A 101 0.806 -7.110 -3.701 1.00 0.00 H new ATOM 0 HB1 ALA A 101 2.913 -7.636 -4.884 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.049 -6.141 -3.928 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.775 -7.650 -3.327 1.00 0.00 H new ATOM 1499 N GLU A 102 0.489 -9.542 -3.967 1.00 0.00 N ATOM 1500 CA GLU A 102 0.185 -10.966 -4.044 1.00 0.00 C ATOM 1501 C GLU A 102 0.165 -11.441 -5.494 1.00 0.00 C ATOM 1502 O GLU A 102 -0.447 -10.810 -6.357 1.00 0.00 O ATOM 1503 CB GLU A 102 -1.163 -11.259 -3.382 1.00 0.00 C ATOM 1504 CG GLU A 102 -1.849 -12.503 -3.922 1.00 0.00 C ATOM 1505 CD GLU A 102 -2.695 -12.217 -5.148 1.00 0.00 C ATOM 1506 OE1 GLU A 102 -3.408 -11.191 -5.151 1.00 0.00 O ATOM 1507 OE2 GLU A 102 -2.643 -13.019 -6.104 1.00 0.00 O ATOM 0 H GLU A 102 -0.066 -8.957 -4.592 1.00 0.00 H new ATOM 0 HA GLU A 102 0.968 -11.507 -3.513 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -1.014 -11.374 -2.308 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -1.821 -10.402 -3.522 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.095 -13.250 -4.171 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.478 -12.933 -3.143 1.00 0.00 H new ATOM 1514 N TYR A 103 0.839 -12.555 -5.755 1.00 0.00 N ATOM 1515 CA TYR A 103 0.902 -13.113 -7.101 1.00 0.00 C ATOM 1516 C TYR A 103 1.034 -14.632 -7.055 1.00 0.00 C ATOM 1517 O TYR A 103 1.622 -15.188 -6.128 1.00 0.00 O ATOM 1518 CB TYR A 103 2.079 -12.511 -7.870 1.00 0.00 C ATOM 1519 CG TYR A 103 1.960 -12.658 -9.370 1.00 0.00 C ATOM 1520 CD1 TYR A 103 2.205 -13.876 -9.991 1.00 0.00 C ATOM 1521 CD2 TYR A 103 1.601 -11.577 -10.167 1.00 0.00 C ATOM 1522 CE1 TYR A 103 2.098 -14.014 -11.362 1.00 0.00 C ATOM 1523 CE2 TYR A 103 1.490 -11.706 -11.538 1.00 0.00 C ATOM 1524 CZ TYR A 103 1.740 -12.926 -12.131 1.00 0.00 C ATOM 1525 OH TYR A 103 1.631 -13.060 -13.496 1.00 0.00 O ATOM 0 H TYR A 103 1.350 -13.090 -5.052 1.00 0.00 H new ATOM 0 HA TYR A 103 -0.026 -12.862 -7.615 1.00 0.00 H new ATOM 0 HB2 TYR A 103 2.161 -11.453 -7.622 1.00 0.00 H new ATOM 0 HB3 TYR A 103 3.001 -12.988 -7.538 1.00 0.00 H new ATOM 0 HD1 TYR A 103 2.484 -14.730 -9.392 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.406 -10.620 -9.706 1.00 0.00 H new ATOM 0 HE1 TYR A 103 2.294 -14.968 -11.829 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.209 -10.856 -12.142 1.00 0.00 H new ATOM 0 HH TYR A 103 1.370 -12.201 -13.889 1.00 0.00 H new ATOM 1535 N ASN A 104 0.480 -15.298 -8.064 1.00 0.00 N ATOM 1536 CA ASN A 104 0.535 -16.754 -8.140 1.00 0.00 C ATOM 1537 C ASN A 104 0.175 -17.383 -6.797 1.00 0.00 C ATOM 1538 O ASN A 104 0.731 -18.412 -6.414 1.00 0.00 O ATOM 1539 CB ASN A 104 1.930 -17.211 -8.572 1.00 0.00 C ATOM 1540 CG ASN A 104 2.052 -17.347 -10.078 1.00 0.00 C ATOM 1541 OD1 ASN A 104 1.168 -16.928 -10.824 1.00 0.00 O ATOM 1542 ND2 ASN A 104 3.153 -17.937 -10.530 1.00 0.00 N ATOM 0 H ASN A 104 -0.011 -14.853 -8.839 1.00 0.00 H new ATOM 0 HA ASN A 104 -0.193 -17.082 -8.882 1.00 0.00 H new ATOM 0 HB2 ASN A 104 2.671 -16.497 -8.213 1.00 0.00 H new ATOM 0 HB3 ASN A 104 2.157 -18.169 -8.104 1.00 0.00 H new ATOM 0 HD21 ASN A 104 3.292 -18.058 -11.533 1.00 0.00 H new ATOM 0 HD22 ASN A 104 3.860 -18.269 -9.874 1.00 0.00 H new ATOM 1549 N SER A 105 -0.759 -16.757 -6.088 1.00 0.00 N ATOM 1550 CA SER A 105 -1.191 -17.253 -4.787 1.00 0.00 C ATOM 1551 C SER A 105 -0.026 -17.283 -3.802 1.00 0.00 C ATOM 1552 O SER A 105 0.057 -18.166 -2.948 1.00 0.00 O ATOM 1553 CB SER A 105 -1.792 -18.653 -4.925 1.00 0.00 C ATOM 1554 OG SER A 105 -3.007 -18.616 -5.654 1.00 0.00 O ATOM 0 H SER A 105 -1.231 -15.906 -6.393 1.00 0.00 H new ATOM 0 HA SER A 105 -1.952 -16.574 -4.402 1.00 0.00 H new ATOM 0 HB2 SER A 105 -1.082 -19.309 -5.428 1.00 0.00 H new ATOM 0 HB3 SER A 105 -1.970 -19.075 -3.936 1.00 0.00 H new ATOM 0 HG SER A 105 -3.371 -19.523 -5.730 1.00 0.00 H new ATOM 1560 N ILE A 106 0.872 -16.311 -3.928 1.00 0.00 N ATOM 1561 CA ILE A 106 2.032 -16.225 -3.050 1.00 0.00 C ATOM 1562 C ILE A 106 2.009 -14.937 -2.234 1.00 0.00 C ATOM 1563 O ILE A 106 2.336 -13.863 -2.740 1.00 0.00 O ATOM 1564 CB ILE A 106 3.348 -16.292 -3.847 1.00 0.00 C ATOM 1565 CG1 ILE A 106 3.432 -17.606 -4.626 1.00 0.00 C ATOM 1566 CG2 ILE A 106 4.540 -16.146 -2.913 1.00 0.00 C ATOM 1567 CD1 ILE A 106 4.347 -17.538 -5.828 1.00 0.00 C ATOM 0 H ILE A 106 0.818 -15.573 -4.630 1.00 0.00 H new ATOM 0 HA ILE A 106 1.982 -17.080 -2.376 1.00 0.00 H new ATOM 0 HB ILE A 106 3.366 -15.468 -4.560 1.00 0.00 H new ATOM 0 HG12 ILE A 106 3.781 -18.393 -3.958 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.432 -17.888 -4.956 1.00 0.00 H new ATOM 0 HG21 ILE A 106 5.463 -16.195 -3.491 1.00 0.00 H new ATOM 0 HG22 ILE A 106 4.484 -15.186 -2.399 1.00 0.00 H new ATOM 0 HG23 ILE A 106 4.528 -16.952 -2.179 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.358 -18.504 -6.332 1.00 0.00 H new ATOM 0 HD12 ILE A 106 3.987 -16.774 -6.517 1.00 0.00 H new ATOM 0 HD13 ILE A 106 5.357 -17.287 -5.503 1.00 0.00 H new ATOM 1579 N LYS A 107 1.622 -15.051 -0.968 1.00 0.00 N ATOM 1580 CA LYS A 107 1.559 -13.897 -0.080 1.00 0.00 C ATOM 1581 C LYS A 107 2.935 -13.580 0.499 1.00 0.00 C ATOM 1582 O LYS A 107 3.529 -14.400 1.197 1.00 0.00 O ATOM 1583 CB LYS A 107 0.565 -14.154 1.054 1.00 0.00 C ATOM 1584 CG LYS A 107 -0.888 -14.086 0.616 1.00 0.00 C ATOM 1585 CD LYS A 107 -1.830 -14.075 1.808 1.00 0.00 C ATOM 1586 CE LYS A 107 -3.278 -14.255 1.376 1.00 0.00 C ATOM 1587 NZ LYS A 107 -4.146 -14.679 2.509 1.00 0.00 N ATOM 0 H LYS A 107 1.347 -15.932 -0.534 1.00 0.00 H new ATOM 0 HA LYS A 107 1.223 -13.040 -0.663 1.00 0.00 H new ATOM 0 HB2 LYS A 107 0.761 -15.137 1.482 1.00 0.00 H new ATOM 0 HB3 LYS A 107 0.732 -13.423 1.845 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -1.047 -13.189 0.017 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -1.117 -14.940 -0.022 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -1.554 -14.871 2.499 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -1.725 -13.134 2.348 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -3.653 -13.319 0.962 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -3.330 -14.999 0.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -5.124 -14.791 2.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -3.804 -15.585 2.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -4.117 -13.958 3.258 1.00 0.00 H new ATOM 1601 N GLY A 108 3.435 -12.384 0.204 1.00 0.00 N ATOM 1602 CA GLY A 108 4.736 -11.979 0.704 1.00 0.00 C ATOM 1603 C GLY A 108 4.638 -11.135 1.960 1.00 0.00 C ATOM 1604 O GLY A 108 4.055 -11.559 2.958 1.00 0.00 O ATOM 0 H GLY A 108 2.962 -11.688 -0.373 1.00 0.00 H new ATOM 0 HA2 GLY A 108 5.334 -12.866 0.912 1.00 0.00 H new ATOM 0 HA3 GLY A 108 5.259 -11.416 -0.069 1.00 0.00 H new ATOM 1608 N THR A 109 5.211 -9.937 1.911 1.00 0.00 N ATOM 1609 CA THR A 109 5.188 -9.032 3.054 1.00 0.00 C ATOM 1610 C THR A 109 4.886 -7.603 2.618 1.00 0.00 C ATOM 1611 O THR A 109 5.392 -7.117 1.607 1.00 0.00 O ATOM 1612 CB THR A 109 6.528 -9.053 3.813 1.00 0.00 C ATOM 1613 OG1 THR A 109 6.791 -10.371 4.307 1.00 0.00 O ATOM 1614 CG2 THR A 109 6.509 -8.067 4.972 1.00 0.00 C ATOM 0 H THR A 109 5.697 -9.571 1.092 1.00 0.00 H new ATOM 0 HA THR A 109 4.397 -9.381 3.718 1.00 0.00 H new ATOM 0 HB THR A 109 7.317 -8.761 3.120 1.00 0.00 H new ATOM 0 HG1 THR A 109 7.645 -10.376 4.787 1.00 0.00 H new ATOM 0 HG21 THR A 109 7.466 -8.100 5.493 1.00 0.00 H new ATOM 0 HG22 THR A 109 6.338 -7.060 4.591 1.00 0.00 H new ATOM 0 HG23 THR A 109 5.710 -8.334 5.664 1.00 0.00 H new ATOM 1622 N PRO A 110 4.042 -6.912 3.398 1.00 0.00 N ATOM 1623 CA PRO A 110 3.654 -5.527 3.112 1.00 0.00 C ATOM 1624 C PRO A 110 4.805 -4.548 3.322 1.00 0.00 C ATOM 1625 O PRO A 110 5.722 -4.812 4.099 1.00 0.00 O ATOM 1626 CB PRO A 110 2.533 -5.258 4.118 1.00 0.00 C ATOM 1627 CG PRO A 110 2.797 -6.200 5.242 1.00 0.00 C ATOM 1628 CD PRO A 110 3.401 -7.428 4.619 1.00 0.00 C ATOM 0 HA PRO A 110 3.353 -5.394 2.073 1.00 0.00 H new ATOM 0 HB2 PRO A 110 2.547 -4.222 4.458 1.00 0.00 H new ATOM 0 HB3 PRO A 110 1.553 -5.435 3.675 1.00 0.00 H new ATOM 0 HG2 PRO A 110 3.476 -5.758 5.971 1.00 0.00 H new ATOM 0 HG3 PRO A 110 1.876 -6.444 5.772 1.00 0.00 H new ATOM 0 HD2 PRO A 110 4.124 -7.901 5.283 1.00 0.00 H new ATOM 0 HD3 PRO A 110 2.643 -8.176 4.389 1.00 0.00 H new ATOM 1636 N SER A 111 4.749 -3.418 2.624 1.00 0.00 N ATOM 1637 CA SER A 111 5.788 -2.401 2.732 1.00 0.00 C ATOM 1638 C SER A 111 5.646 -1.615 4.032 1.00 0.00 C ATOM 1639 O SER A 111 4.805 -1.931 4.872 1.00 0.00 O ATOM 1640 CB SER A 111 5.725 -1.449 1.537 1.00 0.00 C ATOM 1641 OG SER A 111 4.389 -1.264 1.102 1.00 0.00 O ATOM 0 H SER A 111 3.995 -3.184 1.978 1.00 0.00 H new ATOM 0 HA SER A 111 6.755 -2.904 2.736 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.158 -0.487 1.811 1.00 0.00 H new ATOM 0 HB3 SER A 111 6.325 -1.847 0.719 1.00 0.00 H new ATOM 0 HG SER A 111 3.884 -0.785 1.792 1.00 0.00 H new ATOM 1647 N GLU A 112 6.476 -0.588 4.189 1.00 0.00 N ATOM 1648 CA GLU A 112 6.444 0.243 5.386 1.00 0.00 C ATOM 1649 C GLU A 112 5.075 0.896 5.559 1.00 0.00 C ATOM 1650 O GLU A 112 4.180 0.714 4.733 1.00 0.00 O ATOM 1651 CB GLU A 112 7.529 1.320 5.316 1.00 0.00 C ATOM 1652 CG GLU A 112 8.940 0.770 5.434 1.00 0.00 C ATOM 1653 CD GLU A 112 9.507 0.327 4.099 1.00 0.00 C ATOM 1654 OE1 GLU A 112 9.146 -0.776 3.637 1.00 0.00 O ATOM 1655 OE2 GLU A 112 10.313 1.084 3.517 1.00 0.00 O ATOM 0 H GLU A 112 7.178 -0.312 3.502 1.00 0.00 H new ATOM 0 HA GLU A 112 6.633 -0.398 6.247 1.00 0.00 H new ATOM 0 HB2 GLU A 112 7.435 1.858 4.372 1.00 0.00 H new ATOM 0 HB3 GLU A 112 7.362 2.044 6.113 1.00 0.00 H new ATOM 0 HG2 GLU A 112 9.588 1.533 5.865 1.00 0.00 H new ATOM 0 HG3 GLU A 112 8.940 -0.075 6.123 1.00 0.00 H new ATOM 1662 N ALA A 113 4.920 1.656 6.638 1.00 0.00 N ATOM 1663 CA ALA A 113 3.662 2.337 6.919 1.00 0.00 C ATOM 1664 C ALA A 113 3.739 3.811 6.538 1.00 0.00 C ATOM 1665 O ALA A 113 4.768 4.458 6.729 1.00 0.00 O ATOM 1666 CB ALA A 113 3.299 2.188 8.389 1.00 0.00 C ATOM 0 H ALA A 113 5.650 1.816 7.332 1.00 0.00 H new ATOM 0 HA ALA A 113 2.883 1.873 6.314 1.00 0.00 H new ATOM 0 HB1 ALA A 113 2.358 2.701 8.585 1.00 0.00 H new ATOM 0 HB2 ALA A 113 3.194 1.131 8.632 1.00 0.00 H new ATOM 0 HB3 ALA A 113 4.086 2.625 9.004 1.00 0.00 H new ATOM 1672 N GLU A 114 2.644 4.336 5.997 1.00 0.00 N ATOM 1673 CA GLU A 114 2.589 5.734 5.588 1.00 0.00 C ATOM 1674 C GLU A 114 1.452 6.464 6.297 1.00 0.00 C ATOM 1675 O GLU A 114 0.290 6.352 5.906 1.00 0.00 O ATOM 1676 CB GLU A 114 2.410 5.838 4.072 1.00 0.00 C ATOM 1677 CG GLU A 114 2.216 7.262 3.578 1.00 0.00 C ATOM 1678 CD GLU A 114 3.392 8.160 3.910 1.00 0.00 C ATOM 1679 OE1 GLU A 114 3.422 8.711 5.030 1.00 0.00 O ATOM 1680 OE2 GLU A 114 4.284 8.311 3.048 1.00 0.00 O ATOM 0 H GLU A 114 1.783 3.814 5.832 1.00 0.00 H new ATOM 0 HA GLU A 114 3.531 6.206 5.869 1.00 0.00 H new ATOM 0 HB2 GLU A 114 3.283 5.408 3.581 1.00 0.00 H new ATOM 0 HB3 GLU A 114 1.550 5.239 3.774 1.00 0.00 H new ATOM 0 HG2 GLU A 114 2.066 7.251 2.498 1.00 0.00 H new ATOM 0 HG3 GLU A 114 1.311 7.676 4.022 1.00 0.00 H new ATOM 1687 N ILE A 115 1.797 7.211 7.340 1.00 0.00 N ATOM 1688 CA ILE A 115 0.806 7.960 8.103 1.00 0.00 C ATOM 1689 C ILE A 115 0.266 9.137 7.297 1.00 0.00 C ATOM 1690 O ILE A 115 1.009 10.052 6.940 1.00 0.00 O ATOM 1691 CB ILE A 115 1.393 8.485 9.426 1.00 0.00 C ATOM 1692 CG1 ILE A 115 0.333 9.263 10.208 1.00 0.00 C ATOM 1693 CG2 ILE A 115 2.608 9.361 9.156 1.00 0.00 C ATOM 1694 CD1 ILE A 115 0.704 9.505 11.654 1.00 0.00 C ATOM 0 H ILE A 115 2.755 7.314 7.676 1.00 0.00 H new ATOM 0 HA ILE A 115 -0.008 7.270 8.325 1.00 0.00 H new ATOM 0 HB ILE A 115 1.709 7.633 10.028 1.00 0.00 H new ATOM 0 HG12 ILE A 115 0.164 10.223 9.719 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -0.609 8.716 10.170 1.00 0.00 H new ATOM 0 HG21 ILE A 115 3.012 9.725 10.101 1.00 0.00 H new ATOM 0 HG22 ILE A 115 3.369 8.778 8.637 1.00 0.00 H new ATOM 0 HG23 ILE A 115 2.315 10.209 8.537 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -0.094 10.062 12.146 1.00 0.00 H new ATOM 0 HD12 ILE A 115 0.844 8.549 12.159 1.00 0.00 H new ATOM 0 HD13 ILE A 115 1.629 10.079 11.701 1.00 0.00 H new ATOM 1706 N PHE A 116 -1.033 9.108 7.015 1.00 0.00 N ATOM 1707 CA PHE A 116 -1.673 10.172 6.252 1.00 0.00 C ATOM 1708 C PHE A 116 -2.960 10.631 6.933 1.00 0.00 C ATOM 1709 O PHE A 116 -3.933 9.881 7.019 1.00 0.00 O ATOM 1710 CB PHE A 116 -1.977 9.698 4.830 1.00 0.00 C ATOM 1711 CG PHE A 116 -3.111 8.716 4.755 1.00 0.00 C ATOM 1712 CD1 PHE A 116 -4.418 9.156 4.621 1.00 0.00 C ATOM 1713 CD2 PHE A 116 -2.871 7.353 4.818 1.00 0.00 C ATOM 1714 CE1 PHE A 116 -5.464 8.255 4.552 1.00 0.00 C ATOM 1715 CE2 PHE A 116 -3.912 6.447 4.749 1.00 0.00 C ATOM 1716 CZ PHE A 116 -5.210 6.899 4.615 1.00 0.00 C ATOM 0 H PHE A 116 -1.662 8.359 7.304 1.00 0.00 H new ATOM 0 HA PHE A 116 -0.985 11.016 6.206 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -2.214 10.563 4.210 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -1.082 9.240 4.409 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -4.622 10.215 4.570 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -1.858 6.994 4.922 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -6.478 8.611 4.449 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -3.711 5.387 4.800 1.00 0.00 H new ATOM 0 HZ PHE A 116 -6.025 6.193 4.560 1.00 0.00 H new ATOM 1726 N THR A 117 -2.957 11.869 7.417 1.00 0.00 N ATOM 1727 CA THR A 117 -4.122 12.428 8.092 1.00 0.00 C ATOM 1728 C THR A 117 -5.136 12.962 7.086 1.00 0.00 C ATOM 1729 O THR A 117 -4.784 13.699 6.164 1.00 0.00 O ATOM 1730 CB THR A 117 -3.723 13.564 9.053 1.00 0.00 C ATOM 1731 OG1 THR A 117 -2.671 13.124 9.920 1.00 0.00 O ATOM 1732 CG2 THR A 117 -4.916 14.015 9.882 1.00 0.00 C ATOM 0 H THR A 117 -2.161 12.504 7.354 1.00 0.00 H new ATOM 0 HA THR A 117 -4.574 11.619 8.665 1.00 0.00 H new ATOM 0 HB THR A 117 -3.374 14.409 8.459 1.00 0.00 H new ATOM 0 HG1 THR A 117 -2.421 13.852 10.527 1.00 0.00 H new ATOM 0 HG21 THR A 117 -4.610 14.818 10.553 1.00 0.00 H new ATOM 0 HG22 THR A 117 -5.703 14.376 9.220 1.00 0.00 H new ATOM 0 HG23 THR A 117 -5.290 13.175 10.468 1.00 0.00 H new ATOM 1740 N THR A 118 -6.398 12.587 7.270 1.00 0.00 N ATOM 1741 CA THR A 118 -7.464 13.028 6.379 1.00 0.00 C ATOM 1742 C THR A 118 -8.205 14.227 6.959 1.00 0.00 C ATOM 1743 O THR A 118 -8.315 14.372 8.177 1.00 0.00 O ATOM 1744 CB THR A 118 -8.474 11.897 6.108 1.00 0.00 C ATOM 1745 OG1 THR A 118 -9.166 11.559 7.315 1.00 0.00 O ATOM 1746 CG2 THR A 118 -7.771 10.664 5.558 1.00 0.00 C ATOM 0 H THR A 118 -6.707 11.979 8.028 1.00 0.00 H new ATOM 0 HA THR A 118 -6.991 13.316 5.440 1.00 0.00 H new ATOM 0 HB THR A 118 -9.190 12.249 5.365 1.00 0.00 H new ATOM 0 HG1 THR A 118 -9.625 10.701 7.199 1.00 0.00 H new ATOM 0 HG21 THR A 118 -8.504 9.879 5.374 1.00 0.00 H new ATOM 0 HG22 THR A 118 -7.269 10.917 4.624 1.00 0.00 H new ATOM 0 HG23 THR A 118 -7.035 10.312 6.281 1.00 0.00 H new ATOM 1754 N LEU A 119 -8.712 15.085 6.080 1.00 0.00 N ATOM 1755 CA LEU A 119 -9.444 16.273 6.505 1.00 0.00 C ATOM 1756 C LEU A 119 -10.798 15.895 7.097 1.00 0.00 C ATOM 1757 O LEU A 119 -11.312 14.804 6.851 1.00 0.00 O ATOM 1758 CB LEU A 119 -9.638 17.226 5.325 1.00 0.00 C ATOM 1759 CG LEU A 119 -9.727 16.575 3.944 1.00 0.00 C ATOM 1760 CD1 LEU A 119 -10.584 17.416 3.011 1.00 0.00 C ATOM 1761 CD2 LEU A 119 -8.336 16.375 3.359 1.00 0.00 C ATOM 0 H LEU A 119 -8.630 14.980 5.069 1.00 0.00 H new ATOM 0 HA LEU A 119 -8.859 16.774 7.276 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -10.549 17.800 5.493 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.811 17.936 5.317 1.00 0.00 H new ATOM 0 HG LEU A 119 -10.198 15.598 4.053 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -10.636 16.937 2.033 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -11.589 17.508 3.424 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -10.143 18.407 2.906 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.418 15.911 2.376 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -7.839 17.340 3.264 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.754 15.730 4.017 1.00 0.00 H new ATOM 1773 N SER A 120 -11.372 16.805 7.877 1.00 0.00 N ATOM 1774 CA SER A 120 -12.667 16.567 8.505 1.00 0.00 C ATOM 1775 C SER A 120 -13.804 16.823 7.520 1.00 0.00 C ATOM 1776 O SER A 120 -13.699 17.684 6.645 1.00 0.00 O ATOM 1777 CB SER A 120 -12.832 17.460 9.736 1.00 0.00 C ATOM 1778 OG SER A 120 -11.578 17.739 10.336 1.00 0.00 O ATOM 0 H SER A 120 -10.961 17.714 8.089 1.00 0.00 H new ATOM 0 HA SER A 120 -12.707 15.523 8.815 1.00 0.00 H new ATOM 0 HB2 SER A 120 -13.317 18.393 9.450 1.00 0.00 H new ATOM 0 HB3 SER A 120 -13.484 16.970 10.459 1.00 0.00 H new ATOM 0 HG SER A 120 -11.628 17.557 11.298 1.00 0.00 H new ATOM 1784 N CYS A 121 -14.888 16.071 7.670 1.00 0.00 N ATOM 1785 CA CYS A 121 -16.045 16.215 6.794 1.00 0.00 C ATOM 1786 C CYS A 121 -16.231 17.669 6.374 1.00 0.00 C ATOM 1787 O CYS A 121 -16.656 17.951 5.254 1.00 0.00 O ATOM 1788 CB CYS A 121 -17.307 15.708 7.495 1.00 0.00 C ATOM 1789 SG CYS A 121 -18.803 15.806 6.483 1.00 0.00 S ATOM 0 H CYS A 121 -14.990 15.355 8.390 1.00 0.00 H new ATOM 0 HA CYS A 121 -15.870 15.617 5.899 1.00 0.00 H new ATOM 0 HB2 CYS A 121 -17.152 14.672 7.795 1.00 0.00 H new ATOM 0 HB3 CYS A 121 -17.460 16.285 8.407 1.00 0.00 H new ATOM 0 HG CYS A 121 -18.644 16.707 5.560 1.00 0.00 H new