USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 785 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 Single : A 11 LYS NZ :NH3+ -177:sc= -0.826 (180deg=-0.883) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS :FLIP no HD1:sc= -0.0979 F(o=-0.85,f=-0.098) USER MOD Single : A 23 SER OG : rot -24:sc= 0.102! USER MOD Single : A 24 MET CE :methyl 160:sc= -0.0475 (180deg=-0.532) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.0049) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -146:sc= -0.487 (180deg=-1.92!) USER MOD Single : A 40 THR OG1 : rot -172:sc= -2.04! USER MOD Single : A 42 HIS : no HE2:sc= 0.367 K(o=0.37,f=-1.3) USER MOD Single : A 45 GLN : amide:sc= -0.272 K(o=-0.27,f=-0.85) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= -0.78 USER MOD Single : A 52 LYS NZ :NH3+ -111:sc= -0.233 (180deg=-0.643) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.902 K(o=-0.9,f=-2.8!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0186 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 170:sc= 0.0227 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 8 -13.396 11.706 -5.617 1.00 0.00 N ATOM 2 CA ALA A 8 -13.078 11.717 -4.195 1.00 0.00 C ATOM 3 C ALA A 8 -11.815 10.912 -3.909 1.00 0.00 C ATOM 4 O ALA A 8 -11.736 9.726 -4.229 1.00 0.00 O ATOM 5 CB ALA A 8 -14.247 11.170 -3.390 1.00 0.00 C ATOM 0 HA ALA A 8 -12.895 12.749 -3.896 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -13.996 11.184 -2.329 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -15.128 11.788 -3.563 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -14.455 10.146 -3.700 1.00 0.00 H new ATOM 11 N ASP A 9 -10.827 11.565 -3.305 1.00 0.00 N ATOM 12 CA ASP A 9 -9.566 10.909 -2.976 1.00 0.00 C ATOM 13 C ASP A 9 -9.476 10.620 -1.482 1.00 0.00 C ATOM 14 O ASP A 9 -9.231 11.521 -0.678 1.00 0.00 O ATOM 15 CB ASP A 9 -8.385 11.780 -3.411 1.00 0.00 C ATOM 16 CG ASP A 9 -7.095 10.992 -3.523 1.00 0.00 C ATOM 17 OD1 ASP A 9 -7.149 9.826 -3.968 1.00 0.00 O ATOM 18 OD2 ASP A 9 -6.032 11.541 -3.167 1.00 0.00 O ATOM 0 H ASP A 9 -10.875 12.547 -3.034 1.00 0.00 H new ATOM 0 HA ASP A 9 -9.528 9.962 -3.514 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -8.611 12.240 -4.373 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -8.251 12.590 -2.694 1.00 0.00 H new ATOM 23 N ARG A 10 -9.674 9.358 -1.114 1.00 0.00 N ATOM 24 CA ARG A 10 -9.614 8.950 0.286 1.00 0.00 C ATOM 25 C ARG A 10 -9.062 7.534 0.415 1.00 0.00 C ATOM 26 O ARG A 10 -9.157 6.733 -0.513 1.00 0.00 O ATOM 27 CB ARG A 10 -11.002 9.032 0.923 1.00 0.00 C ATOM 28 CG ARG A 10 -11.580 10.438 0.946 1.00 0.00 C ATOM 29 CD ARG A 10 -12.503 10.683 -0.236 1.00 0.00 C ATOM 30 NE ARG A 10 -13.903 10.777 0.171 1.00 0.00 N ATOM 31 CZ ARG A 10 -14.386 11.746 0.946 1.00 0.00 C ATOM 32 NH1 ARG A 10 -13.587 12.704 1.399 1.00 0.00 N ATOM 33 NH2 ARG A 10 -15.672 11.757 1.267 1.00 0.00 N ATOM 0 H ARG A 10 -9.877 8.600 -1.766 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.943 9.631 0.810 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -11.682 8.378 0.377 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -10.947 8.654 1.944 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -12.129 10.591 1.875 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.769 11.166 0.932 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -12.210 11.604 -0.740 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -12.389 9.874 -0.958 1.00 0.00 H new ATOM 0 HE ARG A 10 -14.548 10.058 -0.158 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -12.597 12.701 1.154 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -13.963 13.444 1.992 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -16.290 11.024 0.920 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -16.043 12.499 1.861 1.00 0.00 H new ATOM 47 N LYS A 11 -8.484 7.235 1.574 1.00 0.00 N ATOM 48 CA LYS A 11 -7.917 5.915 1.827 1.00 0.00 C ATOM 49 C LYS A 11 -8.108 5.517 3.285 1.00 0.00 C ATOM 50 O LYS A 11 -8.221 6.374 4.159 1.00 0.00 O ATOM 51 CB LYS A 11 -6.428 5.903 1.473 1.00 0.00 C ATOM 52 CG LYS A 11 -5.656 7.078 2.051 1.00 0.00 C ATOM 53 CD LYS A 11 -4.866 6.674 3.286 1.00 0.00 C ATOM 54 CE LYS A 11 -3.459 6.227 2.925 1.00 0.00 C ATOM 55 NZ LYS A 11 -3.466 5.066 1.993 1.00 0.00 N ATOM 0 H LYS A 11 -8.396 7.888 2.352 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.438 5.192 1.199 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.985 4.975 1.834 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.321 5.907 0.388 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.976 7.474 1.297 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.349 7.879 2.307 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.816 7.515 3.978 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.384 5.866 3.803 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.921 7.057 2.467 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.919 5.960 3.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.489 4.760 1.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.001 4.282 2.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.914 5.343 1.096 1.00 0.00 H new ATOM 69 N LEU A 12 -8.164 4.216 3.542 1.00 0.00 N ATOM 70 CA LEU A 12 -8.369 3.717 4.889 1.00 0.00 C ATOM 71 C LEU A 12 -7.078 3.536 5.645 1.00 0.00 C ATOM 72 O LEU A 12 -6.066 3.075 5.116 1.00 0.00 O ATOM 73 CB LEU A 12 -9.129 2.406 4.841 1.00 0.00 C ATOM 74 CG LEU A 12 -10.554 2.598 4.382 1.00 0.00 C ATOM 75 CD1 LEU A 12 -10.789 1.930 3.034 1.00 0.00 C ATOM 76 CD2 LEU A 12 -11.543 2.093 5.423 1.00 0.00 C ATOM 0 H LEU A 12 -8.070 3.490 2.832 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.950 4.467 5.425 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.621 1.716 4.168 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.125 1.947 5.830 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.721 3.668 4.260 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.824 2.084 2.727 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.121 2.366 2.291 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.591 0.862 3.118 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.560 2.246 5.063 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.376 1.030 5.598 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.402 2.641 6.355 1.00 0.00 H new ATOM 88 N CYS A 13 -7.151 3.917 6.902 1.00 0.00 N ATOM 89 CA CYS A 13 -6.014 3.827 7.810 1.00 0.00 C ATOM 90 C CYS A 13 -6.355 2.978 9.028 1.00 0.00 C ATOM 91 O CYS A 13 -7.505 2.928 9.464 1.00 0.00 O ATOM 92 CB CYS A 13 -5.577 5.225 8.252 1.00 0.00 C ATOM 93 SG CYS A 13 -4.311 5.980 7.182 1.00 0.00 S ATOM 0 H CYS A 13 -7.996 4.298 7.329 1.00 0.00 H new ATOM 0 HA CYS A 13 -5.192 3.348 7.277 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -6.451 5.876 8.278 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -5.191 5.169 9.270 1.00 0.00 H new ATOM 98 N ALA A 14 -5.345 2.308 9.571 1.00 0.00 N ATOM 99 CA ALA A 14 -5.527 1.453 10.738 1.00 0.00 C ATOM 100 C ALA A 14 -5.745 2.275 12.007 1.00 0.00 C ATOM 101 O ALA A 14 -4.966 2.188 12.956 1.00 0.00 O ATOM 102 CB ALA A 14 -4.327 0.532 10.902 1.00 0.00 C ATOM 0 H ALA A 14 -4.388 2.341 9.220 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.421 0.851 10.578 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.472 -0.103 11.776 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.223 -0.092 10.014 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.425 1.130 11.033 1.00 0.00 H new ATOM 108 N ASP A 15 -6.811 3.072 12.017 1.00 0.00 N ATOM 109 CA ASP A 15 -7.131 3.906 13.171 1.00 0.00 C ATOM 110 C ASP A 15 -5.971 4.832 13.510 1.00 0.00 C ATOM 111 O ASP A 15 -4.871 4.685 12.977 1.00 0.00 O ATOM 112 CB ASP A 15 -7.472 3.034 14.381 1.00 0.00 C ATOM 113 CG ASP A 15 -8.943 2.676 14.441 1.00 0.00 C ATOM 114 OD1 ASP A 15 -9.517 2.343 13.382 1.00 0.00 O ATOM 115 OD2 ASP A 15 -9.523 2.728 15.546 1.00 0.00 O ATOM 0 H ASP A 15 -7.466 3.157 11.240 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.998 4.516 12.916 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.880 2.120 14.344 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.191 3.559 15.294 1.00 0.00 H new ATOM 120 N GLN A 16 -6.219 5.788 14.400 1.00 0.00 N ATOM 121 CA GLN A 16 -5.189 6.735 14.805 1.00 0.00 C ATOM 122 C GLN A 16 -4.610 7.451 13.582 1.00 0.00 C ATOM 123 O GLN A 16 -5.292 7.607 12.570 1.00 0.00 O ATOM 124 CB GLN A 16 -4.083 6.005 15.575 1.00 0.00 C ATOM 125 CG GLN A 16 -3.580 6.771 16.788 1.00 0.00 C ATOM 126 CD GLN A 16 -2.992 5.860 17.849 1.00 0.00 C ATOM 127 OE1 GLN A 16 -1.941 5.251 17.648 1.00 0.00 O ATOM 128 NE2 GLN A 16 -3.671 5.763 18.986 1.00 0.00 N ATOM 0 H GLN A 16 -7.122 5.926 14.853 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.636 7.484 15.459 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.457 5.034 15.898 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.247 5.817 14.902 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.824 7.490 16.472 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.402 7.342 17.219 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.538 6.286 19.109 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.326 5.165 19.737 1.00 0.00 H new ATOM 137 N GLU A 17 -3.355 7.884 13.676 1.00 0.00 N ATOM 138 CA GLU A 17 -2.706 8.576 12.576 1.00 0.00 C ATOM 139 C GLU A 17 -2.018 7.590 11.634 1.00 0.00 C ATOM 140 O GLU A 17 -0.890 7.820 11.196 1.00 0.00 O ATOM 141 CB GLU A 17 -1.687 9.586 13.112 1.00 0.00 C ATOM 142 CG GLU A 17 -0.564 8.951 13.914 1.00 0.00 C ATOM 143 CD GLU A 17 0.411 9.975 14.462 1.00 0.00 C ATOM 144 OE1 GLU A 17 1.096 10.635 13.652 1.00 0.00 O ATOM 145 OE2 GLU A 17 0.490 10.116 15.701 1.00 0.00 O ATOM 0 H GLU A 17 -2.771 7.766 14.504 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.474 9.107 12.013 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.258 10.136 12.274 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.204 10.313 13.739 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.989 8.381 14.740 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.026 8.244 13.283 1.00 0.00 H new ATOM 152 N CYS A 18 -2.701 6.491 11.321 1.00 0.00 N ATOM 153 CA CYS A 18 -2.150 5.476 10.429 1.00 0.00 C ATOM 154 C CYS A 18 -0.845 4.914 10.984 1.00 0.00 C ATOM 155 O CYS A 18 0.062 4.563 10.230 1.00 0.00 O ATOM 156 CB CYS A 18 -1.911 6.064 9.036 1.00 0.00 C ATOM 157 SG CYS A 18 -3.246 7.156 8.447 1.00 0.00 S ATOM 0 H CYS A 18 -3.636 6.282 11.672 1.00 0.00 H new ATOM 0 HA CYS A 18 -2.874 4.664 10.355 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.976 6.624 9.046 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -1.785 5.247 8.326 1.00 0.00 H new ATOM 162 N SER A 19 -0.756 4.832 12.308 1.00 0.00 N ATOM 163 CA SER A 19 0.438 4.313 12.962 1.00 0.00 C ATOM 164 C SER A 19 0.414 2.789 13.014 1.00 0.00 C ATOM 165 O SER A 19 1.461 2.142 12.992 1.00 0.00 O ATOM 166 CB SER A 19 0.555 4.881 14.378 1.00 0.00 C ATOM 167 OG SER A 19 1.092 6.192 14.360 1.00 0.00 O ATOM 0 H SER A 19 -1.497 5.118 12.948 1.00 0.00 H new ATOM 0 HA SER A 19 1.305 4.624 12.379 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.427 4.894 14.850 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.190 4.233 14.982 1.00 0.00 H new ATOM 0 HG SER A 19 1.155 6.532 15.277 1.00 0.00 H new ATOM 173 N HIS A 20 -0.785 2.221 13.083 1.00 0.00 N ATOM 174 CA HIS A 20 -0.942 0.772 13.138 1.00 0.00 C ATOM 175 C HIS A 20 -0.945 0.168 11.734 1.00 0.00 C ATOM 176 O HIS A 20 -1.372 0.810 10.775 1.00 0.00 O ATOM 177 CB HIS A 20 -2.237 0.407 13.869 1.00 0.00 C ATOM 178 CG HIS A 20 -2.023 0.001 15.294 1.00 0.00 C ATOM 179 ND1 HIS A 20 -1.083 -0.794 15.857 1.00 0.00 N flip ATOM 180 CD2 HIS A 20 -2.835 0.421 16.327 1.00 0.00 C flip ATOM 181 CE1 HIS A 20 -1.341 -0.838 17.204 1.00 0.00 C flip ATOM 182 NE2 HIS A 20 -2.401 -0.097 17.463 1.00 0.00 N flip ATOM 0 H HIS A 20 -1.662 2.741 13.102 1.00 0.00 H new ATOM 0 HA HIS A 20 -0.095 0.360 13.686 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.914 1.261 13.840 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -2.728 -0.408 13.337 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -3.691 1.071 16.224 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.768 -1.390 17.934 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -2.815 0.051 18.383 1.00 0.00 H new ATOM 191 N PRO A 21 -0.464 -1.080 11.599 1.00 0.00 N ATOM 192 CA PRO A 21 -0.409 -1.771 10.305 1.00 0.00 C ATOM 193 C PRO A 21 -1.789 -2.206 9.818 1.00 0.00 C ATOM 194 O PRO A 21 -2.811 -1.781 10.356 1.00 0.00 O ATOM 195 CB PRO A 21 0.466 -2.990 10.595 1.00 0.00 C ATOM 196 CG PRO A 21 0.268 -3.258 12.047 1.00 0.00 C ATOM 197 CD PRO A 21 0.067 -1.914 12.693 1.00 0.00 C ATOM 0 HA PRO A 21 -0.021 -1.128 9.515 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.167 -3.846 9.990 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.513 -2.789 10.368 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -0.596 -3.903 12.211 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.132 -3.769 12.471 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.631 -1.971 13.529 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.002 -1.514 13.085 1.00 0.00 H new ATOM 205 N ILE A 22 -1.807 -3.054 8.795 1.00 0.00 N ATOM 206 CA ILE A 22 -3.058 -3.548 8.231 1.00 0.00 C ATOM 207 C ILE A 22 -3.131 -5.066 8.303 1.00 0.00 C ATOM 208 O ILE A 22 -3.925 -5.631 9.054 1.00 0.00 O ATOM 209 CB ILE A 22 -3.223 -3.111 6.752 1.00 0.00 C ATOM 210 CG1 ILE A 22 -3.898 -1.740 6.680 1.00 0.00 C ATOM 211 CG2 ILE A 22 -4.020 -4.145 5.950 1.00 0.00 C ATOM 212 CD1 ILE A 22 -5.283 -1.714 7.292 1.00 0.00 C ATOM 0 H ILE A 22 -0.968 -3.414 8.339 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.863 -3.116 8.826 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.230 -3.041 6.307 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.271 -1.008 7.189 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.965 -1.431 5.637 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.118 -3.808 4.918 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.499 -5.102 5.972 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.011 -4.261 6.389 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.700 -0.711 7.205 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.926 -2.421 6.768 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.221 -1.991 8.344 1.00 0.00 H new ATOM 224 N SER A 23 -2.317 -5.714 7.485 1.00 0.00 N ATOM 225 CA SER A 23 -2.298 -7.160 7.411 1.00 0.00 C ATOM 226 C SER A 23 -1.024 -7.647 6.749 1.00 0.00 C ATOM 227 O SER A 23 -0.071 -6.891 6.560 1.00 0.00 O ATOM 228 CB SER A 23 -3.517 -7.648 6.620 1.00 0.00 C ATOM 229 OG SER A 23 -4.713 -7.068 7.113 1.00 0.00 O ATOM 0 H SER A 23 -1.656 -5.253 6.859 1.00 0.00 H new ATOM 0 HA SER A 23 -2.334 -7.563 8.423 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.395 -7.396 5.567 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.584 -8.734 6.683 1.00 0.00 H new ATOM 0 HG SER A 23 -4.587 -6.804 8.048 1.00 0.00 H new ATOM 235 N MET A 24 -1.023 -8.918 6.397 1.00 0.00 N ATOM 236 CA MET A 24 0.125 -9.535 5.744 1.00 0.00 C ATOM 237 C MET A 24 -0.306 -10.307 4.506 1.00 0.00 C ATOM 238 O MET A 24 -1.254 -11.092 4.553 1.00 0.00 O ATOM 239 CB MET A 24 0.851 -10.471 6.710 1.00 0.00 C ATOM 240 CG MET A 24 2.289 -10.762 6.308 1.00 0.00 C ATOM 241 SD MET A 24 2.746 -12.488 6.560 1.00 0.00 S ATOM 242 CE MET A 24 1.771 -13.287 5.288 1.00 0.00 C ATOM 0 H MET A 24 -1.808 -9.551 6.552 1.00 0.00 H new ATOM 0 HA MET A 24 0.805 -8.740 5.440 1.00 0.00 H new ATOM 0 HB2 MET A 24 0.843 -10.029 7.706 1.00 0.00 H new ATOM 0 HB3 MET A 24 0.303 -11.411 6.774 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.428 -10.503 5.258 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.959 -10.125 6.885 1.00 0.00 H new ATOM 0 HE1 MET A 24 2.189 -14.270 5.073 1.00 0.00 H new ATOM 0 HE2 MET A 24 0.743 -13.398 5.633 1.00 0.00 H new ATOM 0 HE3 MET A 24 1.786 -12.680 4.383 1.00 0.00 H new ATOM 252 N ALA A 25 0.393 -10.086 3.400 1.00 0.00 N ATOM 253 CA ALA A 25 0.075 -10.768 2.155 1.00 0.00 C ATOM 254 C ALA A 25 1.333 -11.162 1.398 1.00 0.00 C ATOM 255 O ALA A 25 2.289 -10.393 1.310 1.00 0.00 O ATOM 256 CB ALA A 25 -0.824 -9.902 1.287 1.00 0.00 C ATOM 0 H ALA A 25 1.181 -9.442 3.341 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.460 -11.684 2.406 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.051 -10.428 0.360 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.751 -9.690 1.821 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.315 -8.966 1.057 1.00 0.00 H new ATOM 262 N VAL A 26 1.318 -12.372 0.854 1.00 0.00 N ATOM 263 CA VAL A 26 2.454 -12.886 0.101 1.00 0.00 C ATOM 264 C VAL A 26 2.250 -12.708 -1.398 1.00 0.00 C ATOM 265 O VAL A 26 1.122 -12.687 -1.885 1.00 0.00 O ATOM 266 CB VAL A 26 2.696 -14.376 0.402 1.00 0.00 C ATOM 267 CG1 VAL A 26 3.984 -14.853 -0.251 1.00 0.00 C ATOM 268 CG2 VAL A 26 2.728 -14.619 1.903 1.00 0.00 C ATOM 0 H VAL A 26 0.530 -13.016 0.921 1.00 0.00 H new ATOM 0 HA VAL A 26 3.326 -12.312 0.414 1.00 0.00 H new ATOM 0 HB VAL A 26 1.871 -14.950 -0.018 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.137 -15.909 -0.026 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.916 -14.718 -1.330 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.823 -14.275 0.135 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.900 -15.678 2.097 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.532 -14.033 2.349 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.775 -14.320 2.340 1.00 0.00 H new ATOM 278 N ALA A 27 3.353 -12.581 -2.124 1.00 0.00 N ATOM 279 CA ALA A 27 3.304 -12.406 -3.570 1.00 0.00 C ATOM 280 C ALA A 27 2.739 -13.645 -4.254 1.00 0.00 C ATOM 281 O ALA A 27 3.294 -14.738 -4.139 1.00 0.00 O ATOM 282 CB ALA A 27 4.691 -12.092 -4.108 1.00 0.00 C ATOM 0 H ALA A 27 4.295 -12.596 -1.734 1.00 0.00 H new ATOM 0 HA ALA A 27 2.641 -11.569 -3.788 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.641 -11.963 -5.189 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.060 -11.174 -3.650 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.368 -12.913 -3.871 1.00 0.00 H new ATOM 288 N LEU A 28 1.633 -13.468 -4.969 1.00 0.00 N ATOM 289 CA LEU A 28 0.995 -14.571 -5.675 1.00 0.00 C ATOM 290 C LEU A 28 1.663 -14.820 -7.027 1.00 0.00 C ATOM 291 O LEU A 28 1.287 -15.740 -7.751 1.00 0.00 O ATOM 292 CB LEU A 28 -0.494 -14.281 -5.876 1.00 0.00 C ATOM 293 CG LEU A 28 -1.400 -15.513 -5.859 1.00 0.00 C ATOM 294 CD1 LEU A 28 -2.819 -15.126 -5.468 1.00 0.00 C ATOM 295 CD2 LEU A 28 -1.388 -16.200 -7.216 1.00 0.00 C ATOM 0 H LEU A 28 1.160 -12.570 -5.074 1.00 0.00 H new ATOM 0 HA LEU A 28 1.107 -15.468 -5.067 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.824 -13.595 -5.096 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.623 -13.766 -6.828 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.018 -16.213 -5.116 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.450 -16.015 -5.461 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.813 -14.677 -4.475 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.212 -14.408 -6.188 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.038 -17.075 -7.187 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.746 -15.507 -7.978 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.372 -16.511 -7.457 1.00 0.00 H new ATOM 307 N GLN A 29 2.662 -13.997 -7.358 1.00 0.00 N ATOM 308 CA GLN A 29 3.391 -14.124 -8.612 1.00 0.00 C ATOM 309 C GLN A 29 4.250 -12.893 -8.868 1.00 0.00 C ATOM 310 O GLN A 29 4.198 -11.917 -8.118 1.00 0.00 O ATOM 311 CB GLN A 29 2.435 -14.342 -9.789 1.00 0.00 C ATOM 312 CG GLN A 29 1.275 -13.362 -9.818 1.00 0.00 C ATOM 313 CD GLN A 29 0.185 -13.778 -10.787 1.00 0.00 C ATOM 314 OE1 GLN A 29 -0.558 -14.725 -10.534 1.00 0.00 O ATOM 315 NE2 GLN A 29 0.086 -13.070 -11.906 1.00 0.00 N ATOM 0 H GLN A 29 2.982 -13.231 -6.766 1.00 0.00 H new ATOM 0 HA GLN A 29 4.040 -14.996 -8.525 1.00 0.00 H new ATOM 0 HB2 GLN A 29 2.994 -14.258 -10.721 1.00 0.00 H new ATOM 0 HB3 GLN A 29 2.041 -15.357 -9.744 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.852 -13.275 -8.817 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.645 -12.375 -10.095 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.724 -12.292 -12.075 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.628 -13.304 -12.596 1.00 0.00 H new ATOM 324 N ASP A 30 5.039 -12.949 -9.932 1.00 0.00 N ATOM 325 CA ASP A 30 5.915 -11.843 -10.301 1.00 0.00 C ATOM 326 C ASP A 30 5.113 -10.689 -10.892 1.00 0.00 C ATOM 327 O ASP A 30 4.108 -10.904 -11.571 1.00 0.00 O ATOM 328 CB ASP A 30 6.971 -12.314 -11.303 1.00 0.00 C ATOM 329 CG ASP A 30 8.029 -11.262 -11.565 1.00 0.00 C ATOM 330 OD1 ASP A 30 7.733 -10.292 -12.295 1.00 0.00 O ATOM 331 OD2 ASP A 30 9.154 -11.407 -11.042 1.00 0.00 O ATOM 0 H ASP A 30 5.091 -13.752 -10.558 1.00 0.00 H new ATOM 0 HA ASP A 30 6.414 -11.490 -9.399 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.448 -13.219 -10.926 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.485 -12.578 -12.242 1.00 0.00 H new ATOM 336 N TYR A 31 5.560 -9.465 -10.630 1.00 0.00 N ATOM 337 CA TYR A 31 4.876 -8.280 -11.136 1.00 0.00 C ATOM 338 C TYR A 31 5.798 -7.061 -11.108 1.00 0.00 C ATOM 339 O TYR A 31 5.789 -6.289 -10.149 1.00 0.00 O ATOM 340 CB TYR A 31 3.612 -8.016 -10.310 1.00 0.00 C ATOM 341 CG TYR A 31 3.029 -6.631 -10.489 1.00 0.00 C ATOM 342 CD1 TYR A 31 2.438 -6.253 -11.688 1.00 0.00 C ATOM 343 CD2 TYR A 31 3.070 -5.706 -9.456 1.00 0.00 C ATOM 344 CE1 TYR A 31 1.905 -4.988 -11.851 1.00 0.00 C ATOM 345 CE2 TYR A 31 2.538 -4.440 -9.610 1.00 0.00 C ATOM 346 CZ TYR A 31 1.957 -4.087 -10.809 1.00 0.00 C ATOM 347 OH TYR A 31 1.428 -2.826 -10.968 1.00 0.00 O ATOM 0 H TYR A 31 6.391 -9.268 -10.072 1.00 0.00 H new ATOM 0 HA TYR A 31 4.592 -8.460 -12.173 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.856 -8.753 -10.579 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.843 -8.167 -9.256 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.394 -6.958 -12.505 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.525 -5.980 -8.516 1.00 0.00 H new ATOM 0 HE1 TYR A 31 1.450 -4.707 -12.790 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.577 -3.731 -8.796 1.00 0.00 H new ATOM 0 HH TYR A 31 1.545 -2.315 -10.140 1.00 0.00 H new ATOM 357 N MET A 32 6.594 -6.900 -12.160 1.00 0.00 N ATOM 358 CA MET A 32 7.518 -5.796 -12.258 1.00 0.00 C ATOM 359 C MET A 32 6.779 -4.464 -12.346 1.00 0.00 C ATOM 360 O MET A 32 6.630 -3.897 -13.428 1.00 0.00 O ATOM 361 CB MET A 32 8.428 -5.969 -13.476 1.00 0.00 C ATOM 362 CG MET A 32 7.671 -6.151 -14.781 1.00 0.00 C ATOM 363 SD MET A 32 7.631 -7.868 -15.329 1.00 0.00 S ATOM 364 CE MET A 32 9.379 -8.257 -15.352 1.00 0.00 C ATOM 0 H MET A 32 6.611 -7.532 -12.960 1.00 0.00 H new ATOM 0 HA MET A 32 8.128 -5.790 -11.354 1.00 0.00 H new ATOM 0 HB2 MET A 32 9.077 -5.097 -13.561 1.00 0.00 H new ATOM 0 HB3 MET A 32 9.074 -6.833 -13.317 1.00 0.00 H new ATOM 0 HG2 MET A 32 6.650 -5.790 -14.657 1.00 0.00 H new ATOM 0 HG3 MET A 32 8.135 -5.538 -15.554 1.00 0.00 H new ATOM 0 HE1 MET A 32 9.586 -8.953 -16.165 1.00 0.00 H new ATOM 0 HE2 MET A 32 9.953 -7.343 -15.502 1.00 0.00 H new ATOM 0 HE3 MET A 32 9.663 -8.713 -14.403 1.00 0.00 H new ATOM 374 N ALA A 33 6.310 -3.979 -11.197 1.00 0.00 N ATOM 375 CA ALA A 33 5.577 -2.725 -11.117 1.00 0.00 C ATOM 376 C ALA A 33 6.153 -1.659 -12.051 1.00 0.00 C ATOM 377 O ALA A 33 7.151 -1.015 -11.727 1.00 0.00 O ATOM 378 CB ALA A 33 5.569 -2.218 -9.684 1.00 0.00 C ATOM 0 H ALA A 33 6.430 -4.447 -10.299 1.00 0.00 H new ATOM 0 HA ALA A 33 4.555 -2.922 -11.441 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.018 -1.279 -9.633 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.089 -2.955 -9.040 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.594 -2.056 -9.350 1.00 0.00 H new ATOM 384 N PRO A 34 5.531 -1.458 -13.227 1.00 0.00 N ATOM 385 CA PRO A 34 5.989 -0.467 -14.202 1.00 0.00 C ATOM 386 C PRO A 34 5.546 0.948 -13.843 1.00 0.00 C ATOM 387 O PRO A 34 4.506 1.419 -14.305 1.00 0.00 O ATOM 388 CB PRO A 34 5.316 -0.926 -15.493 1.00 0.00 C ATOM 389 CG PRO A 34 4.045 -1.559 -15.044 1.00 0.00 C ATOM 390 CD PRO A 34 4.332 -2.181 -13.700 1.00 0.00 C ATOM 0 HA PRO A 34 7.076 -0.415 -14.260 1.00 0.00 H new ATOM 0 HB2 PRO A 34 5.127 -0.087 -16.163 1.00 0.00 H new ATOM 0 HB3 PRO A 34 5.942 -1.633 -16.037 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.248 -0.819 -14.968 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.713 -2.313 -15.758 1.00 0.00 H new ATOM 0 HD2 PRO A 34 3.494 -2.057 -13.014 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.518 -3.252 -13.786 1.00 0.00 H new ATOM 398 N ASP A 35 6.341 1.621 -13.018 1.00 0.00 N ATOM 399 CA ASP A 35 6.027 2.982 -12.599 1.00 0.00 C ATOM 400 C ASP A 35 7.209 3.616 -11.872 1.00 0.00 C ATOM 401 O ASP A 35 7.285 3.585 -10.644 1.00 0.00 O ATOM 402 CB ASP A 35 4.794 2.987 -11.693 1.00 0.00 C ATOM 403 CG ASP A 35 3.949 4.232 -11.873 1.00 0.00 C ATOM 404 OD1 ASP A 35 3.989 4.824 -12.972 1.00 0.00 O ATOM 405 OD2 ASP A 35 3.248 4.617 -10.914 1.00 0.00 O ATOM 0 H ASP A 35 7.206 1.247 -12.627 1.00 0.00 H new ATOM 0 HA ASP A 35 5.816 3.570 -13.492 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.188 2.106 -11.904 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.111 2.914 -10.653 1.00 0.00 H new ATOM 410 N CYS A 36 8.130 4.192 -12.639 1.00 0.00 N ATOM 411 CA CYS A 36 9.309 4.835 -12.070 1.00 0.00 C ATOM 412 C CYS A 36 10.116 3.850 -11.231 1.00 0.00 C ATOM 413 O CYS A 36 10.680 4.214 -10.198 1.00 0.00 O ATOM 414 CB CYS A 36 8.897 6.033 -11.213 1.00 0.00 C ATOM 415 SG CYS A 36 7.660 7.119 -11.996 1.00 0.00 S ATOM 0 H CYS A 36 8.082 4.226 -13.657 1.00 0.00 H new ATOM 0 HA CYS A 36 9.935 5.181 -12.892 1.00 0.00 H new ATOM 0 HB2 CYS A 36 8.497 5.669 -10.267 1.00 0.00 H new ATOM 0 HB3 CYS A 36 9.785 6.621 -10.979 1.00 0.00 H new ATOM 420 N ARG A 37 10.170 2.600 -11.681 1.00 0.00 N ATOM 421 CA ARG A 37 10.910 1.564 -10.970 1.00 0.00 C ATOM 422 C ARG A 37 10.356 1.370 -9.561 1.00 0.00 C ATOM 423 O ARG A 37 11.110 1.235 -8.599 1.00 0.00 O ATOM 424 CB ARG A 37 12.396 1.924 -10.902 1.00 0.00 C ATOM 425 CG ARG A 37 13.301 0.728 -10.644 1.00 0.00 C ATOM 426 CD ARG A 37 14.222 0.969 -9.458 1.00 0.00 C ATOM 427 NE ARG A 37 15.028 -0.208 -9.143 1.00 0.00 N ATOM 428 CZ ARG A 37 16.124 -0.556 -9.813 1.00 0.00 C ATOM 429 NH1 ARG A 37 16.548 0.178 -10.834 1.00 0.00 N ATOM 430 NH2 ARG A 37 16.800 -1.642 -9.461 1.00 0.00 N ATOM 0 H ARG A 37 9.711 2.281 -12.534 1.00 0.00 H new ATOM 0 HA ARG A 37 10.795 0.629 -11.518 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.690 2.396 -11.839 1.00 0.00 H new ATOM 0 HB3 ARG A 37 12.547 2.660 -10.113 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.692 -0.157 -10.459 1.00 0.00 H new ATOM 0 HG3 ARG A 37 13.897 0.524 -11.533 1.00 0.00 H new ATOM 0 HD2 ARG A 37 14.879 1.811 -9.675 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.627 1.245 -8.587 1.00 0.00 H new ATOM 0 HE ARG A 37 14.734 -0.797 -8.364 1.00 0.00 H new ATOM 0 HH11 ARG A 37 16.033 1.014 -11.109 1.00 0.00 H new ATOM 0 HH12 ARG A 37 17.389 -0.094 -11.343 1.00 0.00 H new ATOM 0 HH21 ARG A 37 16.480 -2.210 -8.677 1.00 0.00 H new ATOM 0 HH22 ARG A 37 17.640 -1.909 -9.975 1.00 0.00 H new ATOM 444 N PHE A 38 9.032 1.358 -9.450 1.00 0.00 N ATOM 445 CA PHE A 38 8.375 1.182 -8.160 1.00 0.00 C ATOM 446 C PHE A 38 8.775 -0.145 -7.521 1.00 0.00 C ATOM 447 O PHE A 38 9.697 -0.815 -7.986 1.00 0.00 O ATOM 448 CB PHE A 38 6.853 1.248 -8.326 1.00 0.00 C ATOM 449 CG PHE A 38 6.214 2.368 -7.556 1.00 0.00 C ATOM 450 CD1 PHE A 38 6.691 3.665 -7.669 1.00 0.00 C ATOM 451 CD2 PHE A 38 5.136 2.126 -6.720 1.00 0.00 C ATOM 452 CE1 PHE A 38 6.104 4.698 -6.963 1.00 0.00 C ATOM 453 CE2 PHE A 38 4.546 3.155 -6.011 1.00 0.00 C ATOM 454 CZ PHE A 38 5.031 4.442 -6.133 1.00 0.00 C ATOM 0 H PHE A 38 8.393 1.468 -10.237 1.00 0.00 H new ATOM 0 HA PHE A 38 8.696 1.990 -7.503 1.00 0.00 H new ATOM 0 HB2 PHE A 38 6.616 1.363 -9.384 1.00 0.00 H new ATOM 0 HB3 PHE A 38 6.419 0.302 -8.003 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.531 3.870 -8.316 1.00 0.00 H new ATOM 0 HD2 PHE A 38 4.752 1.121 -6.621 1.00 0.00 H new ATOM 0 HE1 PHE A 38 6.484 5.704 -7.061 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.707 2.953 -5.362 1.00 0.00 H new ATOM 0 HZ PHE A 38 4.571 5.248 -5.580 1.00 0.00 H new ATOM 464 N LEU A 39 8.075 -0.517 -6.454 1.00 0.00 N ATOM 465 CA LEU A 39 8.358 -1.763 -5.753 1.00 0.00 C ATOM 466 C LEU A 39 7.670 -2.941 -6.436 1.00 0.00 C ATOM 467 O LEU A 39 6.468 -3.153 -6.268 1.00 0.00 O ATOM 468 CB LEU A 39 7.902 -1.668 -4.295 1.00 0.00 C ATOM 469 CG LEU A 39 8.449 -2.759 -3.373 1.00 0.00 C ATOM 470 CD1 LEU A 39 8.676 -2.213 -1.973 1.00 0.00 C ATOM 471 CD2 LEU A 39 7.500 -3.948 -3.336 1.00 0.00 C ATOM 0 H LEU A 39 7.309 0.026 -6.057 1.00 0.00 H new ATOM 0 HA LEU A 39 9.435 -1.928 -5.780 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.200 -0.697 -3.900 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.813 -1.703 -4.268 1.00 0.00 H new ATOM 0 HG LEU A 39 9.408 -3.095 -3.768 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.065 -3.004 -1.332 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.394 -1.394 -2.014 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.732 -1.849 -1.567 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.904 -4.715 -2.676 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.527 -3.626 -2.965 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.388 -4.356 -4.341 1.00 0.00 H new ATOM 483 N THR A 40 8.437 -3.702 -7.208 1.00 0.00 N ATOM 484 CA THR A 40 7.900 -4.857 -7.918 1.00 0.00 C ATOM 485 C THR A 40 7.586 -5.997 -6.957 1.00 0.00 C ATOM 486 O THR A 40 7.959 -5.958 -5.784 1.00 0.00 O ATOM 487 CB THR A 40 8.886 -5.336 -8.984 1.00 0.00 C ATOM 488 OG1 THR A 40 8.529 -6.625 -9.453 1.00 0.00 O ATOM 489 CG2 THR A 40 10.317 -5.409 -8.496 1.00 0.00 C ATOM 0 H THR A 40 9.433 -3.540 -7.358 1.00 0.00 H new ATOM 0 HA THR A 40 6.973 -4.548 -8.401 1.00 0.00 H new ATOM 0 HB THR A 40 8.830 -4.592 -9.779 1.00 0.00 H new ATOM 0 HG1 THR A 40 9.236 -6.967 -10.039 1.00 0.00 H new ATOM 0 HG21 THR A 40 10.960 -5.756 -9.305 1.00 0.00 H new ATOM 0 HG22 THR A 40 10.642 -4.420 -8.173 1.00 0.00 H new ATOM 0 HG23 THR A 40 10.381 -6.103 -7.658 1.00 0.00 H new ATOM 497 N ILE A 41 6.903 -7.015 -7.468 1.00 0.00 N ATOM 498 CA ILE A 41 6.541 -8.176 -6.666 1.00 0.00 C ATOM 499 C ILE A 41 7.078 -9.456 -7.298 1.00 0.00 C ATOM 500 O ILE A 41 7.084 -9.597 -8.521 1.00 0.00 O ATOM 501 CB ILE A 41 5.011 -8.293 -6.506 1.00 0.00 C ATOM 502 CG1 ILE A 41 4.427 -6.977 -5.989 1.00 0.00 C ATOM 503 CG2 ILE A 41 4.660 -9.439 -5.567 1.00 0.00 C ATOM 504 CD1 ILE A 41 4.874 -6.624 -4.587 1.00 0.00 C ATOM 0 H ILE A 41 6.588 -7.059 -8.437 1.00 0.00 H new ATOM 0 HA ILE A 41 6.988 -8.041 -5.681 1.00 0.00 H new ATOM 0 HB ILE A 41 4.575 -8.504 -7.483 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.713 -6.172 -6.666 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.339 -7.039 -6.009 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.577 -9.507 -5.465 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.046 -10.374 -5.974 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.105 -9.257 -4.589 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.420 -5.679 -4.288 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.564 -7.410 -3.898 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.960 -6.529 -4.564 1.00 0.00 H new ATOM 516 N HIS A 42 7.533 -10.383 -6.462 1.00 0.00 N ATOM 517 CA HIS A 42 8.077 -11.647 -6.947 1.00 0.00 C ATOM 518 C HIS A 42 7.514 -12.825 -6.159 1.00 0.00 C ATOM 519 O HIS A 42 7.256 -12.714 -4.960 1.00 0.00 O ATOM 520 CB HIS A 42 9.603 -11.638 -6.854 1.00 0.00 C ATOM 521 CG HIS A 42 10.249 -12.834 -7.482 1.00 0.00 C ATOM 522 ND1 HIS A 42 10.507 -12.926 -8.834 1.00 0.00 N ATOM 523 CD2 HIS A 42 10.689 -13.993 -6.938 1.00 0.00 C ATOM 524 CE1 HIS A 42 11.077 -14.090 -9.093 1.00 0.00 C ATOM 525 NE2 HIS A 42 11.199 -14.755 -7.959 1.00 0.00 N ATOM 0 H HIS A 42 7.536 -10.284 -5.447 1.00 0.00 H new ATOM 0 HA HIS A 42 7.783 -11.761 -7.990 1.00 0.00 H new ATOM 0 HB2 HIS A 42 9.983 -10.736 -7.334 1.00 0.00 H new ATOM 0 HB3 HIS A 42 9.894 -11.587 -5.805 1.00 0.00 H new ATOM 0 HD1 HIS A 42 10.292 -12.208 -9.526 1.00 0.00 H new ATOM 0 HD2 HIS A 42 10.647 -14.267 -5.894 1.00 0.00 H new ATOM 0 HE1 HIS A 42 11.390 -14.438 -10.066 1.00 0.00 H new ATOM 534 N ARG A 43 7.323 -13.951 -6.843 1.00 0.00 N ATOM 535 CA ARG A 43 6.786 -15.156 -6.216 1.00 0.00 C ATOM 536 C ARG A 43 7.441 -15.432 -4.867 1.00 0.00 C ATOM 537 O ARG A 43 8.543 -14.960 -4.586 1.00 0.00 O ATOM 538 CB ARG A 43 6.985 -16.365 -7.135 1.00 0.00 C ATOM 539 CG ARG A 43 5.752 -16.744 -7.937 1.00 0.00 C ATOM 540 CD ARG A 43 4.524 -16.899 -7.052 1.00 0.00 C ATOM 541 NE ARG A 43 4.710 -17.932 -6.035 1.00 0.00 N ATOM 542 CZ ARG A 43 3.709 -18.525 -5.388 1.00 0.00 C ATOM 543 NH1 ARG A 43 2.452 -18.188 -5.646 1.00 0.00 N ATOM 544 NH2 ARG A 43 3.966 -19.457 -4.481 1.00 0.00 N ATOM 0 H ARG A 43 7.533 -14.054 -7.836 1.00 0.00 H new ATOM 0 HA ARG A 43 5.722 -14.989 -6.050 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.803 -16.153 -7.824 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.290 -17.220 -6.532 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.561 -15.981 -8.692 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.937 -17.678 -8.468 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.304 -15.948 -6.567 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.661 -17.149 -7.669 1.00 0.00 H new ATOM 0 HE ARG A 43 5.663 -18.215 -5.808 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.249 -17.471 -6.343 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.689 -18.645 -5.147 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.931 -19.720 -4.279 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.199 -19.911 -3.985 1.00 0.00 H new ATOM 558 N GLY A 44 6.750 -16.215 -4.045 1.00 0.00 N ATOM 559 CA GLY A 44 7.262 -16.570 -2.730 1.00 0.00 C ATOM 560 C GLY A 44 7.869 -15.395 -1.985 1.00 0.00 C ATOM 561 O GLY A 44 8.958 -15.507 -1.422 1.00 0.00 O ATOM 0 H GLY A 44 5.838 -16.614 -4.267 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.452 -16.990 -2.134 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.015 -17.350 -2.839 1.00 0.00 H new ATOM 565 N GLN A 45 7.165 -14.269 -1.975 1.00 0.00 N ATOM 566 CA GLN A 45 7.644 -13.077 -1.288 1.00 0.00 C ATOM 567 C GLN A 45 6.558 -12.498 -0.390 1.00 0.00 C ATOM 568 O GLN A 45 5.549 -11.982 -0.871 1.00 0.00 O ATOM 569 CB GLN A 45 8.099 -12.025 -2.302 1.00 0.00 C ATOM 570 CG GLN A 45 9.115 -11.042 -1.744 1.00 0.00 C ATOM 571 CD GLN A 45 9.708 -10.148 -2.814 1.00 0.00 C ATOM 572 OE1 GLN A 45 8.995 -9.631 -3.675 1.00 0.00 O ATOM 573 NE2 GLN A 45 11.022 -9.959 -2.767 1.00 0.00 N ATOM 0 H GLN A 45 6.261 -14.157 -2.435 1.00 0.00 H new ATOM 0 HA GLN A 45 8.493 -13.361 -0.667 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.530 -12.529 -3.167 1.00 0.00 H new ATOM 0 HB3 GLN A 45 7.228 -11.473 -2.656 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.638 -10.424 -0.983 1.00 0.00 H new ATOM 0 HG3 GLN A 45 9.916 -11.593 -1.251 1.00 0.00 H new ATOM 0 HE21 GLN A 45 11.576 -10.406 -2.036 1.00 0.00 H new ATOM 0 HE22 GLN A 45 11.477 -9.367 -3.461 1.00 0.00 H new ATOM 582 N VAL A 46 6.770 -12.584 0.920 1.00 0.00 N ATOM 583 CA VAL A 46 5.809 -12.066 1.881 1.00 0.00 C ATOM 584 C VAL A 46 5.778 -10.542 1.850 1.00 0.00 C ATOM 585 O VAL A 46 6.755 -9.901 1.465 1.00 0.00 O ATOM 586 CB VAL A 46 6.137 -12.540 3.309 1.00 0.00 C ATOM 587 CG1 VAL A 46 5.113 -12.011 4.304 1.00 0.00 C ATOM 588 CG2 VAL A 46 6.207 -14.059 3.363 1.00 0.00 C ATOM 0 H VAL A 46 7.599 -13.008 1.337 1.00 0.00 H new ATOM 0 HA VAL A 46 4.829 -12.451 1.598 1.00 0.00 H new ATOM 0 HB VAL A 46 7.113 -12.141 3.586 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.366 -12.359 5.306 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.118 -10.921 4.286 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.121 -12.374 4.033 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.440 -14.377 4.379 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.247 -14.478 3.063 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.985 -14.412 2.686 1.00 0.00 H new ATOM 598 N VAL A 47 4.651 -9.970 2.256 1.00 0.00 N ATOM 599 CA VAL A 47 4.485 -8.538 2.276 1.00 0.00 C ATOM 600 C VAL A 47 3.526 -8.110 3.385 1.00 0.00 C ATOM 601 O VAL A 47 2.624 -8.856 3.760 1.00 0.00 O ATOM 602 CB VAL A 47 3.961 -8.010 0.925 1.00 0.00 C ATOM 603 CG1 VAL A 47 4.173 -6.511 0.794 1.00 0.00 C ATOM 604 CG2 VAL A 47 4.604 -8.749 -0.238 1.00 0.00 C ATOM 0 H VAL A 47 3.835 -10.491 2.578 1.00 0.00 H new ATOM 0 HA VAL A 47 5.469 -8.110 2.465 1.00 0.00 H new ATOM 0 HB VAL A 47 2.888 -8.198 0.895 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.792 -6.173 -0.170 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.642 -5.997 1.595 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.237 -6.287 0.863 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.216 -8.356 -1.178 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.685 -8.610 -0.205 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.373 -9.812 -0.166 1.00 0.00 H new ATOM 614 N TYR A 48 3.730 -6.903 3.902 1.00 0.00 N ATOM 615 CA TYR A 48 2.883 -6.371 4.965 1.00 0.00 C ATOM 616 C TYR A 48 2.186 -5.092 4.511 1.00 0.00 C ATOM 617 O TYR A 48 2.838 -4.095 4.198 1.00 0.00 O ATOM 618 CB TYR A 48 3.713 -6.095 6.220 1.00 0.00 C ATOM 619 CG TYR A 48 4.509 -7.287 6.698 1.00 0.00 C ATOM 620 CD1 TYR A 48 5.697 -7.648 6.076 1.00 0.00 C ATOM 621 CD2 TYR A 48 4.074 -8.050 7.775 1.00 0.00 C ATOM 622 CE1 TYR A 48 6.428 -8.736 6.512 1.00 0.00 C ATOM 623 CE2 TYR A 48 4.800 -9.140 8.217 1.00 0.00 C ATOM 624 CZ TYR A 48 5.976 -9.479 7.583 1.00 0.00 C ATOM 625 OH TYR A 48 6.702 -10.563 8.020 1.00 0.00 O ATOM 0 H TYR A 48 4.475 -6.274 3.602 1.00 0.00 H new ATOM 0 HA TYR A 48 2.124 -7.117 5.199 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.397 -5.270 6.018 1.00 0.00 H new ATOM 0 HB3 TYR A 48 3.048 -5.769 7.020 1.00 0.00 H new ATOM 0 HD1 TYR A 48 6.055 -7.069 5.238 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.153 -7.787 8.275 1.00 0.00 H new ATOM 0 HE1 TYR A 48 7.350 -9.004 6.017 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.448 -9.723 9.055 1.00 0.00 H new ATOM 0 HH TYR A 48 6.246 -10.976 8.783 1.00 0.00 H new ATOM 635 N VAL A 49 0.858 -5.124 4.476 1.00 0.00 N ATOM 636 CA VAL A 49 0.073 -3.967 4.060 1.00 0.00 C ATOM 637 C VAL A 49 0.144 -2.853 5.099 1.00 0.00 C ATOM 638 O VAL A 49 0.001 -3.096 6.298 1.00 0.00 O ATOM 639 CB VAL A 49 -1.403 -4.343 3.827 1.00 0.00 C ATOM 640 CG1 VAL A 49 -2.175 -3.162 3.259 1.00 0.00 C ATOM 641 CG2 VAL A 49 -1.509 -5.550 2.906 1.00 0.00 C ATOM 0 H VAL A 49 0.302 -5.940 4.731 1.00 0.00 H new ATOM 0 HA VAL A 49 0.502 -3.614 3.122 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.845 -4.607 4.788 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.215 -3.449 3.102 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.130 -2.328 3.959 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.734 -2.862 2.308 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.559 -5.800 2.754 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.048 -5.317 1.946 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.996 -6.399 3.358 1.00 0.00 H new ATOM 651 N PHE A 50 0.369 -1.631 4.630 1.00 0.00 N ATOM 652 CA PHE A 50 0.462 -0.477 5.514 1.00 0.00 C ATOM 653 C PHE A 50 -0.700 0.485 5.281 1.00 0.00 C ATOM 654 O PHE A 50 -1.088 1.232 6.180 1.00 0.00 O ATOM 655 CB PHE A 50 1.793 0.249 5.299 1.00 0.00 C ATOM 656 CG PHE A 50 2.495 0.607 6.578 1.00 0.00 C ATOM 657 CD1 PHE A 50 1.841 1.328 7.564 1.00 0.00 C ATOM 658 CD2 PHE A 50 3.808 0.221 6.793 1.00 0.00 C ATOM 659 CE1 PHE A 50 2.484 1.658 8.742 1.00 0.00 C ATOM 660 CE2 PHE A 50 4.457 0.549 7.968 1.00 0.00 C ATOM 661 CZ PHE A 50 3.794 1.267 8.945 1.00 0.00 C ATOM 0 H PHE A 50 0.490 -1.414 3.641 1.00 0.00 H new ATOM 0 HA PHE A 50 0.412 -0.834 6.543 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.449 -0.382 4.698 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.613 1.159 4.726 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.817 1.636 7.410 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.330 -0.342 6.034 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.964 2.221 9.503 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.482 0.244 8.123 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.298 1.522 9.865 1.00 0.00 H new ATOM 671 N SER A 51 -1.251 0.465 4.071 1.00 0.00 N ATOM 672 CA SER A 51 -2.368 1.339 3.729 1.00 0.00 C ATOM 673 C SER A 51 -3.089 0.844 2.481 1.00 0.00 C ATOM 674 O SER A 51 -2.517 0.117 1.668 1.00 0.00 O ATOM 675 CB SER A 51 -1.872 2.771 3.510 1.00 0.00 C ATOM 676 OG SER A 51 -0.636 2.989 4.165 1.00 0.00 O ATOM 0 H SER A 51 -0.943 -0.145 3.313 1.00 0.00 H new ATOM 0 HA SER A 51 -3.073 1.326 4.561 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.760 2.961 2.443 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.614 3.477 3.883 1.00 0.00 H new ATOM 0 HG SER A 51 -0.341 3.910 4.008 1.00 0.00 H new ATOM 682 N LYS A 52 -4.349 1.240 2.335 1.00 0.00 N ATOM 683 CA LYS A 52 -5.151 0.837 1.185 1.00 0.00 C ATOM 684 C LYS A 52 -5.976 2.006 0.660 1.00 0.00 C ATOM 685 O LYS A 52 -6.727 2.635 1.407 1.00 0.00 O ATOM 686 CB LYS A 52 -6.072 -0.325 1.561 1.00 0.00 C ATOM 687 CG LYS A 52 -6.997 -0.016 2.729 1.00 0.00 C ATOM 688 CD LYS A 52 -6.623 -0.817 3.966 1.00 0.00 C ATOM 689 CE LYS A 52 -7.701 -0.727 5.034 1.00 0.00 C ATOM 690 NZ LYS A 52 -9.012 -1.238 4.546 1.00 0.00 N ATOM 0 H LYS A 52 -4.837 1.840 2.999 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.472 0.513 0.396 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.674 -0.596 0.694 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.463 -1.194 1.811 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.953 1.049 2.957 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.026 -0.239 2.448 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.467 -1.860 3.692 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.679 -0.448 4.368 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.392 -1.298 5.910 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.811 0.310 5.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.680 -0.447 4.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.884 -1.694 3.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.388 -1.931 5.224 1.00 0.00 H new ATOM 704 N LEU A 53 -5.836 2.292 -0.630 1.00 0.00 N ATOM 705 CA LEU A 53 -6.572 3.385 -1.256 1.00 0.00 C ATOM 706 C LEU A 53 -7.507 2.855 -2.338 1.00 0.00 C ATOM 707 O LEU A 53 -7.078 2.152 -3.253 1.00 0.00 O ATOM 708 CB LEU A 53 -5.601 4.402 -1.859 1.00 0.00 C ATOM 709 CG LEU A 53 -6.259 5.630 -2.490 1.00 0.00 C ATOM 710 CD1 LEU A 53 -5.308 6.817 -2.465 1.00 0.00 C ATOM 711 CD2 LEU A 53 -6.697 5.325 -3.914 1.00 0.00 C ATOM 0 H LEU A 53 -5.220 1.782 -1.263 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.170 3.876 -0.489 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.917 4.736 -1.078 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.999 3.901 -2.617 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.143 5.887 -1.906 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.793 7.682 -2.918 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.043 7.049 -1.434 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.406 6.572 -3.025 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.163 6.209 -4.349 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.829 5.043 -4.509 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -7.414 4.504 -3.906 1.00 0.00 H new ATOM 723 N LYS A 54 -8.787 3.194 -2.226 1.00 0.00 N ATOM 724 CA LYS A 54 -9.782 2.748 -3.194 1.00 0.00 C ATOM 725 C LYS A 54 -10.575 3.931 -3.748 1.00 0.00 C ATOM 726 O LYS A 54 -10.130 5.077 -3.671 1.00 0.00 O ATOM 727 CB LYS A 54 -10.725 1.726 -2.549 1.00 0.00 C ATOM 728 CG LYS A 54 -11.750 2.345 -1.612 1.00 0.00 C ATOM 729 CD LYS A 54 -12.398 1.296 -0.723 1.00 0.00 C ATOM 730 CE LYS A 54 -13.394 1.921 0.240 1.00 0.00 C ATOM 731 NZ LYS A 54 -14.790 1.830 -0.268 1.00 0.00 N ATOM 0 H LYS A 54 -9.159 3.776 -1.475 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.262 2.272 -4.025 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -11.247 1.180 -3.335 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.133 0.998 -1.995 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.268 3.101 -0.992 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -12.518 2.853 -2.196 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.904 0.555 -1.342 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.628 0.768 -0.160 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -13.326 1.422 1.207 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.134 2.967 0.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.438 2.267 0.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.861 2.328 -1.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -15.047 0.831 -0.399 1.00 0.00 H new ATOM 745 N GLY A 55 -11.747 3.648 -4.311 1.00 0.00 N ATOM 746 CA GLY A 55 -12.573 4.700 -4.871 1.00 0.00 C ATOM 747 C GLY A 55 -12.130 5.091 -6.266 1.00 0.00 C ATOM 748 O GLY A 55 -12.898 4.989 -7.222 1.00 0.00 O ATOM 0 H GLY A 55 -12.138 2.709 -4.389 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.611 4.368 -4.900 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -12.536 5.574 -4.221 1.00 0.00 H new ATOM 752 N ARG A 56 -10.883 5.531 -6.380 1.00 0.00 N ATOM 753 CA ARG A 56 -10.325 5.931 -7.665 1.00 0.00 C ATOM 754 C ARG A 56 -8.913 5.379 -7.842 1.00 0.00 C ATOM 755 O ARG A 56 -8.150 5.859 -8.680 1.00 0.00 O ATOM 756 CB ARG A 56 -10.307 7.457 -7.785 1.00 0.00 C ATOM 757 CG ARG A 56 -9.721 8.156 -6.568 1.00 0.00 C ATOM 758 CD ARG A 56 -8.355 8.752 -6.870 1.00 0.00 C ATOM 759 NE ARG A 56 -8.423 9.784 -7.902 1.00 0.00 N ATOM 760 CZ ARG A 56 -7.475 10.697 -8.102 1.00 0.00 C ATOM 761 NH1 ARG A 56 -6.385 10.709 -7.345 1.00 0.00 N ATOM 762 NH2 ARG A 56 -7.617 11.600 -9.063 1.00 0.00 N ATOM 0 H ARG A 56 -10.237 5.620 -5.595 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.958 5.519 -8.451 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.731 7.737 -8.667 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -11.325 7.813 -7.943 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.398 8.944 -6.239 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.635 7.446 -5.746 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.936 9.178 -5.958 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.678 7.961 -7.193 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.245 9.806 -8.505 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.270 10.016 -6.605 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.662 11.411 -7.503 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.452 11.595 -9.648 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.891 12.300 -9.217 1.00 0.00 H new ATOM 776 N GLY A 57 -8.568 4.366 -7.048 1.00 0.00 N ATOM 777 CA GLY A 57 -7.247 3.773 -7.139 1.00 0.00 C ATOM 778 C GLY A 57 -7.125 2.492 -6.338 1.00 0.00 C ATOM 779 O GLY A 57 -6.077 2.217 -5.753 1.00 0.00 O ATOM 0 H GLY A 57 -9.179 3.948 -6.346 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.017 3.566 -8.184 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.506 4.490 -6.785 1.00 0.00 H new ATOM 783 N ARG A 58 -8.198 1.707 -6.308 1.00 0.00 N ATOM 784 CA ARG A 58 -8.209 0.448 -5.572 1.00 0.00 C ATOM 785 C ARG A 58 -7.000 -0.411 -5.934 1.00 0.00 C ATOM 786 O ARG A 58 -6.465 -1.136 -5.094 1.00 0.00 O ATOM 787 CB ARG A 58 -9.499 -0.321 -5.862 1.00 0.00 C ATOM 788 CG ARG A 58 -9.910 -1.266 -4.744 1.00 0.00 C ATOM 789 CD ARG A 58 -10.553 -2.530 -5.290 1.00 0.00 C ATOM 790 NE ARG A 58 -11.680 -2.969 -4.471 1.00 0.00 N ATOM 791 CZ ARG A 58 -12.896 -2.430 -4.532 1.00 0.00 C ATOM 792 NH1 ARG A 58 -13.144 -1.430 -5.369 1.00 0.00 N ATOM 793 NH2 ARG A 58 -13.866 -2.890 -3.753 1.00 0.00 N ATOM 0 H ARG A 58 -9.073 1.922 -6.786 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.159 0.679 -4.508 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.305 0.392 -6.038 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -9.372 -0.893 -6.781 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -9.035 -1.529 -4.149 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -10.608 -0.760 -4.077 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -10.894 -2.352 -6.310 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -9.808 -3.324 -5.337 1.00 0.00 H new ATOM 0 HE ARG A 58 -11.526 -3.734 -3.814 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -12.401 -1.071 -5.969 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -14.077 -1.020 -5.412 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.681 -3.657 -3.107 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -14.797 -2.477 -3.800 1.00 0.00 H new ATOM 807 N LEU A 59 -6.580 -0.328 -7.192 1.00 0.00 N ATOM 808 CA LEU A 59 -5.444 -1.094 -7.677 1.00 0.00 C ATOM 809 C LEU A 59 -4.126 -0.596 -7.081 1.00 0.00 C ATOM 810 O LEU A 59 -3.080 -1.215 -7.275 1.00 0.00 O ATOM 811 CB LEU A 59 -5.379 -1.030 -9.203 1.00 0.00 C ATOM 812 CG LEU A 59 -5.589 0.365 -9.802 1.00 0.00 C ATOM 813 CD1 LEU A 59 -4.375 0.791 -10.609 1.00 0.00 C ATOM 814 CD2 LEU A 59 -6.842 0.393 -10.666 1.00 0.00 C ATOM 0 H LEU A 59 -7.015 0.268 -7.897 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.585 -2.127 -7.359 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.408 -1.405 -9.526 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.133 -1.702 -9.612 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.720 1.072 -8.983 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.545 1.784 -11.025 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.498 0.814 -9.962 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.210 0.081 -11.419 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.974 1.392 -11.083 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.741 -0.328 -11.477 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.709 0.136 -10.058 1.00 0.00 H new ATOM 826 N PHE A 60 -4.174 0.524 -6.363 1.00 0.00 N ATOM 827 CA PHE A 60 -2.974 1.090 -5.756 1.00 0.00 C ATOM 828 C PHE A 60 -3.038 1.011 -4.234 1.00 0.00 C ATOM 829 O PHE A 60 -3.440 1.967 -3.569 1.00 0.00 O ATOM 830 CB PHE A 60 -2.786 2.542 -6.202 1.00 0.00 C ATOM 831 CG PHE A 60 -1.535 2.765 -7.006 1.00 0.00 C ATOM 832 CD1 PHE A 60 -0.343 2.161 -6.640 1.00 0.00 C ATOM 833 CD2 PHE A 60 -1.554 3.581 -8.125 1.00 0.00 C ATOM 834 CE1 PHE A 60 0.807 2.366 -7.377 1.00 0.00 C ATOM 835 CE2 PHE A 60 -0.406 3.791 -8.866 1.00 0.00 C ATOM 836 CZ PHE A 60 0.776 3.182 -8.492 1.00 0.00 C ATOM 0 H PHE A 60 -5.027 1.055 -6.188 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.119 0.503 -6.091 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -3.649 2.846 -6.795 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -2.762 3.184 -5.322 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -0.313 1.523 -5.769 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -2.476 4.059 -8.422 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.730 1.889 -7.082 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.433 4.430 -9.736 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.674 3.343 -9.070 1.00 0.00 H new ATOM 846 N TRP A 61 -2.635 -0.131 -3.690 1.00 0.00 N ATOM 847 CA TRP A 61 -2.639 -0.339 -2.246 1.00 0.00 C ATOM 848 C TRP A 61 -1.237 -0.163 -1.672 1.00 0.00 C ATOM 849 O TRP A 61 -0.249 -0.565 -2.285 1.00 0.00 O ATOM 850 CB TRP A 61 -3.167 -1.735 -1.913 1.00 0.00 C ATOM 851 CG TRP A 61 -4.656 -1.785 -1.753 1.00 0.00 C ATOM 852 CD1 TRP A 61 -5.578 -1.030 -2.417 1.00 0.00 C ATOM 853 CD2 TRP A 61 -5.396 -2.635 -0.869 1.00 0.00 C ATOM 854 NE1 TRP A 61 -6.842 -1.357 -2.003 1.00 0.00 N ATOM 855 CE2 TRP A 61 -6.760 -2.340 -1.053 1.00 0.00 C ATOM 856 CE3 TRP A 61 -5.039 -3.617 0.059 1.00 0.00 C ATOM 857 CZ2 TRP A 61 -7.765 -2.991 -0.344 1.00 0.00 C ATOM 858 CZ3 TRP A 61 -6.038 -4.264 0.763 1.00 0.00 C ATOM 859 CH2 TRP A 61 -7.387 -3.949 0.558 1.00 0.00 C ATOM 0 H TRP A 61 -2.300 -0.930 -4.229 1.00 0.00 H new ATOM 0 HA TRP A 61 -3.295 0.406 -1.796 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -2.870 -2.426 -2.702 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -2.698 -2.083 -0.993 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -5.345 -0.283 -3.161 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -7.705 -0.936 -2.347 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -4.001 -3.866 0.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -8.806 -2.749 -0.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -5.774 -5.025 1.483 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -8.144 -4.472 1.123 1.00 0.00 H new ATOM 870 N GLY A 62 -1.155 0.441 -0.490 1.00 0.00 N ATOM 871 CA GLY A 62 0.131 0.656 0.146 1.00 0.00 C ATOM 872 C GLY A 62 0.581 -0.543 0.956 1.00 0.00 C ATOM 873 O GLY A 62 -0.194 -1.100 1.734 1.00 0.00 O ATOM 0 H GLY A 62 -1.957 0.785 0.038 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.878 0.877 -0.616 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.071 1.529 0.796 1.00 0.00 H new ATOM 877 N GLY A 63 1.835 -0.944 0.775 1.00 0.00 N ATOM 878 CA GLY A 63 2.358 -2.085 1.504 1.00 0.00 C ATOM 879 C GLY A 63 3.871 -2.089 1.584 1.00 0.00 C ATOM 880 O GLY A 63 4.523 -1.103 1.244 1.00 0.00 O ATOM 0 H GLY A 63 2.497 -0.501 0.138 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.946 -2.085 2.513 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.022 -3.003 1.022 1.00 0.00 H new ATOM 884 N SER A 64 4.428 -3.208 2.034 1.00 0.00 N ATOM 885 CA SER A 64 5.874 -3.353 2.160 1.00 0.00 C ATOM 886 C SER A 64 6.250 -4.828 2.143 1.00 0.00 C ATOM 887 O SER A 64 5.684 -5.625 2.885 1.00 0.00 O ATOM 888 CB SER A 64 6.368 -2.697 3.452 1.00 0.00 C ATOM 889 OG SER A 64 5.293 -2.440 4.339 1.00 0.00 O ATOM 0 H SER A 64 3.898 -4.031 2.319 1.00 0.00 H new ATOM 0 HA SER A 64 6.351 -2.854 1.316 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.096 -3.347 3.937 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.880 -1.764 3.217 1.00 0.00 H new ATOM 0 HG SER A 64 5.636 -2.023 5.157 1.00 0.00 H new ATOM 895 N VAL A 65 7.204 -5.193 1.296 1.00 0.00 N ATOM 896 CA VAL A 65 7.625 -6.567 1.195 1.00 0.00 C ATOM 897 C VAL A 65 8.468 -6.957 2.389 1.00 0.00 C ATOM 898 O VAL A 65 9.157 -6.135 2.994 1.00 0.00 O ATOM 899 CB VAL A 65 8.430 -6.862 -0.091 1.00 0.00 C ATOM 900 CG1 VAL A 65 7.686 -7.850 -0.978 1.00 0.00 C ATOM 901 CG2 VAL A 65 8.761 -5.593 -0.868 1.00 0.00 C ATOM 0 H VAL A 65 7.695 -4.551 0.674 1.00 0.00 H new ATOM 0 HA VAL A 65 6.708 -7.156 1.163 1.00 0.00 H new ATOM 0 HB VAL A 65 9.375 -7.308 0.220 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.271 -8.043 -1.877 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.535 -8.783 -0.436 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.719 -7.432 -1.257 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.327 -5.852 -1.763 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.837 -5.091 -1.155 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.356 -4.928 -0.242 1.00 0.00 H new ATOM 911 N GLN A 66 8.393 -8.225 2.706 1.00 0.00 N ATOM 912 CA GLN A 66 9.134 -8.792 3.829 1.00 0.00 C ATOM 913 C GLN A 66 10.629 -8.513 3.696 1.00 0.00 C ATOM 914 O GLN A 66 11.281 -8.995 2.769 1.00 0.00 O ATOM 915 CB GLN A 66 8.893 -10.298 3.919 1.00 0.00 C ATOM 916 CG GLN A 66 9.210 -11.042 2.632 1.00 0.00 C ATOM 917 CD GLN A 66 10.095 -12.253 2.860 1.00 0.00 C ATOM 918 OE1 GLN A 66 11.102 -12.437 2.176 1.00 0.00 O ATOM 919 NE2 GLN A 66 9.722 -13.088 3.823 1.00 0.00 N ATOM 0 H GLN A 66 7.820 -8.901 2.200 1.00 0.00 H new ATOM 0 HA GLN A 66 8.774 -8.317 4.742 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.502 -10.708 4.725 1.00 0.00 H new ATOM 0 HB3 GLN A 66 7.851 -10.476 4.185 1.00 0.00 H new ATOM 0 HG2 GLN A 66 8.279 -11.360 2.162 1.00 0.00 H new ATOM 0 HG3 GLN A 66 9.702 -10.363 1.936 1.00 0.00 H new ATOM 0 HE21 GLN A 66 8.880 -12.897 4.366 1.00 0.00 H new ATOM 0 HE22 GLN A 66 10.278 -13.920 4.020 1.00 0.00 H new ATOM 928 N GLY A 67 11.166 -7.733 4.629 1.00 0.00 N ATOM 929 CA GLY A 67 12.579 -7.405 4.598 1.00 0.00 C ATOM 930 C GLY A 67 13.116 -7.021 5.962 1.00 0.00 C ATOM 931 O GLY A 67 13.019 -5.864 6.372 1.00 0.00 O ATOM 0 H GLY A 67 10.648 -7.322 5.406 1.00 0.00 H new ATOM 0 HA2 GLY A 67 13.139 -8.260 4.218 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.742 -6.582 3.902 1.00 0.00 H new ATOM 935 N ASP A 68 13.683 -7.994 6.668 1.00 0.00 N ATOM 936 CA ASP A 68 14.238 -7.753 7.995 1.00 0.00 C ATOM 937 C ASP A 68 15.421 -8.679 8.266 1.00 0.00 C ATOM 938 O ASP A 68 15.273 -9.901 8.289 1.00 0.00 O ATOM 939 CB ASP A 68 13.160 -7.953 9.064 1.00 0.00 C ATOM 940 CG ASP A 68 12.909 -6.695 9.874 1.00 0.00 C ATOM 941 OD1 ASP A 68 12.213 -5.791 9.364 1.00 0.00 O ATOM 942 OD2 ASP A 68 13.408 -6.614 11.015 1.00 0.00 O ATOM 0 H ASP A 68 13.770 -8.957 6.343 1.00 0.00 H new ATOM 0 HA ASP A 68 14.591 -6.723 8.034 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.232 -8.265 8.586 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.461 -8.759 9.733 1.00 0.00 H new ATOM 947 N TYR A 69 16.594 -8.088 8.471 1.00 0.00 N ATOM 948 CA TYR A 69 17.800 -8.863 8.742 1.00 0.00 C ATOM 949 C TYR A 69 18.948 -7.955 9.170 1.00 0.00 C ATOM 950 O TYR A 69 18.877 -6.734 9.024 1.00 0.00 O ATOM 951 CB TYR A 69 18.205 -9.666 7.504 1.00 0.00 C ATOM 952 CG TYR A 69 18.882 -10.978 7.829 1.00 0.00 C ATOM 953 CD1 TYR A 69 18.135 -12.111 8.129 1.00 0.00 C ATOM 954 CD2 TYR A 69 20.267 -11.084 7.838 1.00 0.00 C ATOM 955 CE1 TYR A 69 18.751 -13.312 8.427 1.00 0.00 C ATOM 956 CE2 TYR A 69 20.889 -12.281 8.135 1.00 0.00 C ATOM 957 CZ TYR A 69 20.127 -13.392 8.430 1.00 0.00 C ATOM 958 OH TYR A 69 20.743 -14.586 8.726 1.00 0.00 O ATOM 0 H TYR A 69 16.735 -7.078 8.455 1.00 0.00 H new ATOM 0 HA TYR A 69 17.582 -9.551 9.559 1.00 0.00 H new ATOM 0 HB2 TYR A 69 17.317 -9.864 6.903 1.00 0.00 H new ATOM 0 HB3 TYR A 69 18.876 -9.062 6.893 1.00 0.00 H new ATOM 0 HD1 TYR A 69 17.057 -12.052 8.129 1.00 0.00 H new ATOM 0 HD2 TYR A 69 20.867 -10.216 7.609 1.00 0.00 H new ATOM 0 HE1 TYR A 69 18.157 -14.184 8.657 1.00 0.00 H new ATOM 0 HE2 TYR A 69 21.967 -12.347 8.136 1.00 0.00 H new ATOM 0 HH TYR A 69 21.715 -14.472 8.683 1.00 0.00 H new ATOM 968 N TYR A 70 20.008 -8.560 9.698 1.00 0.00 N ATOM 969 CA TYR A 70 21.173 -7.808 10.149 1.00 0.00 C ATOM 970 C TYR A 70 22.274 -7.826 9.091 1.00 0.00 C ATOM 971 O TYR A 70 23.461 -7.767 9.414 1.00 0.00 O ATOM 972 CB TYR A 70 21.701 -8.387 11.465 1.00 0.00 C ATOM 973 CG TYR A 70 21.278 -7.600 12.684 1.00 0.00 C ATOM 974 CD1 TYR A 70 19.937 -7.494 13.036 1.00 0.00 C ATOM 975 CD2 TYR A 70 22.218 -6.963 13.484 1.00 0.00 C ATOM 976 CE1 TYR A 70 19.547 -6.777 14.151 1.00 0.00 C ATOM 977 CE2 TYR A 70 21.835 -6.244 14.601 1.00 0.00 C ATOM 978 CZ TYR A 70 20.500 -6.153 14.929 1.00 0.00 C ATOM 979 OH TYR A 70 20.114 -5.437 16.040 1.00 0.00 O ATOM 0 H TYR A 70 20.084 -9.569 9.824 1.00 0.00 H new ATOM 0 HA TYR A 70 20.868 -6.774 10.312 1.00 0.00 H new ATOM 0 HB2 TYR A 70 21.351 -9.414 11.567 1.00 0.00 H new ATOM 0 HB3 TYR A 70 22.790 -8.423 11.426 1.00 0.00 H new ATOM 0 HD1 TYR A 70 19.188 -7.980 12.428 1.00 0.00 H new ATOM 0 HD2 TYR A 70 23.265 -7.031 13.229 1.00 0.00 H new ATOM 0 HE1 TYR A 70 18.501 -6.706 14.412 1.00 0.00 H new ATOM 0 HE2 TYR A 70 22.579 -5.756 15.213 1.00 0.00 H new ATOM 0 HH TYR A 70 20.906 -5.061 16.478 1.00 0.00 H new ATOM 989 N GLY A 71 21.872 -7.906 7.827 1.00 0.00 N ATOM 990 CA GLY A 71 22.837 -7.928 6.743 1.00 0.00 C ATOM 991 C GLY A 71 22.238 -7.473 5.427 1.00 0.00 C ATOM 992 O GLY A 71 21.623 -8.263 4.712 1.00 0.00 O ATOM 0 H GLY A 71 20.896 -7.956 7.534 1.00 0.00 H new ATOM 0 HA2 GLY A 71 23.680 -7.285 6.997 1.00 0.00 H new ATOM 0 HA3 GLY A 71 23.230 -8.938 6.630 1.00 0.00 H new ATOM 996 N ASP A 72 22.415 -6.191 5.110 1.00 0.00 N ATOM 997 CA ASP A 72 21.887 -5.614 3.876 1.00 0.00 C ATOM 998 C ASP A 72 20.403 -5.318 4.023 1.00 0.00 C ATOM 999 O ASP A 72 19.576 -5.786 3.239 1.00 0.00 O ATOM 1000 CB ASP A 72 22.130 -6.544 2.682 1.00 0.00 C ATOM 1001 CG ASP A 72 23.519 -7.154 2.695 1.00 0.00 C ATOM 1002 OD1 ASP A 72 24.505 -6.389 2.652 1.00 0.00 O ATOM 1003 OD2 ASP A 72 23.619 -8.398 2.748 1.00 0.00 O ATOM 0 H ASP A 72 22.924 -5.529 5.696 1.00 0.00 H new ATOM 0 HA ASP A 72 22.415 -4.679 3.688 1.00 0.00 H new ATOM 0 HB2 ASP A 72 21.386 -7.341 2.689 1.00 0.00 H new ATOM 0 HB3 ASP A 72 21.990 -5.986 1.756 1.00 0.00 H new ATOM 1008 N LEU A 73 20.081 -4.534 5.041 1.00 0.00 N ATOM 1009 CA LEU A 73 18.700 -4.158 5.318 1.00 0.00 C ATOM 1010 C LEU A 73 18.252 -3.017 4.409 1.00 0.00 C ATOM 1011 O LEU A 73 19.071 -2.225 3.942 1.00 0.00 O ATOM 1012 CB LEU A 73 18.546 -3.750 6.784 1.00 0.00 C ATOM 1013 CG LEU A 73 17.104 -3.550 7.255 1.00 0.00 C ATOM 1014 CD1 LEU A 73 16.936 -4.034 8.687 1.00 0.00 C ATOM 1015 CD2 LEU A 73 16.704 -2.087 7.136 1.00 0.00 C ATOM 0 H LEU A 73 20.761 -4.143 5.693 1.00 0.00 H new ATOM 0 HA LEU A 73 18.067 -5.023 5.120 1.00 0.00 H new ATOM 0 HB2 LEU A 73 19.013 -4.512 7.408 1.00 0.00 H new ATOM 0 HB3 LEU A 73 19.097 -2.823 6.947 1.00 0.00 H new ATOM 0 HG LEU A 73 16.448 -4.141 6.615 1.00 0.00 H new ATOM 0 HD11 LEU A 73 15.904 -3.883 9.003 1.00 0.00 H new ATOM 0 HD12 LEU A 73 17.182 -5.094 8.744 1.00 0.00 H new ATOM 0 HD13 LEU A 73 17.602 -3.472 9.342 1.00 0.00 H new ATOM 0 HD21 LEU A 73 15.676 -1.962 7.475 1.00 0.00 H new ATOM 0 HD22 LEU A 73 17.366 -1.478 7.752 1.00 0.00 H new ATOM 0 HD23 LEU A 73 16.784 -1.771 6.096 1.00 0.00 H new ATOM 1027 N ALA A 74 16.946 -2.938 4.166 1.00 0.00 N ATOM 1028 CA ALA A 74 16.384 -1.895 3.319 1.00 0.00 C ATOM 1029 C ALA A 74 14.879 -2.077 3.154 1.00 0.00 C ATOM 1030 O ALA A 74 14.416 -2.650 2.167 1.00 0.00 O ATOM 1031 CB ALA A 74 17.070 -1.879 1.959 1.00 0.00 C ATOM 0 H ALA A 74 16.257 -3.587 4.546 1.00 0.00 H new ATOM 0 HA ALA A 74 16.559 -0.936 3.807 1.00 0.00 H new ATOM 0 HB1 ALA A 74 16.636 -1.093 1.342 1.00 0.00 H new ATOM 0 HB2 ALA A 74 18.135 -1.690 2.091 1.00 0.00 H new ATOM 0 HB3 ALA A 74 16.931 -2.843 1.470 1.00 0.00 H new ATOM 1037 N ALA A 75 14.119 -1.585 4.127 1.00 0.00 N ATOM 1038 CA ALA A 75 12.665 -1.692 4.090 1.00 0.00 C ATOM 1039 C ALA A 75 12.033 -0.403 3.578 1.00 0.00 C ATOM 1040 O ALA A 75 12.008 0.609 4.279 1.00 0.00 O ATOM 1041 CB ALA A 75 12.128 -2.033 5.472 1.00 0.00 C ATOM 0 H ALA A 75 14.486 -1.108 4.951 1.00 0.00 H new ATOM 0 HA ALA A 75 12.400 -2.494 3.400 1.00 0.00 H new ATOM 0 HB1 ALA A 75 11.041 -2.110 5.431 1.00 0.00 H new ATOM 0 HB2 ALA A 75 12.547 -2.984 5.801 1.00 0.00 H new ATOM 0 HB3 ALA A 75 12.410 -1.250 6.175 1.00 0.00 H new ATOM 1047 N ARG A 76 11.525 -0.446 2.351 1.00 0.00 N ATOM 1048 CA ARG A 76 10.895 0.721 1.744 1.00 0.00 C ATOM 1049 C ARG A 76 9.487 0.388 1.259 1.00 0.00 C ATOM 1050 O ARG A 76 9.304 -0.112 0.149 1.00 0.00 O ATOM 1051 CB ARG A 76 11.741 1.233 0.577 1.00 0.00 C ATOM 1052 CG ARG A 76 13.050 1.874 1.012 1.00 0.00 C ATOM 1053 CD ARG A 76 13.063 3.371 0.741 1.00 0.00 C ATOM 1054 NE ARG A 76 12.928 4.153 1.969 1.00 0.00 N ATOM 1055 CZ ARG A 76 11.761 4.452 2.535 1.00 0.00 C ATOM 1056 NH1 ARG A 76 10.622 4.036 1.993 1.00 0.00 N ATOM 1057 NH2 ARG A 76 11.730 5.170 3.650 1.00 0.00 N ATOM 0 H ARG A 76 11.537 -1.276 1.758 1.00 0.00 H new ATOM 0 HA ARG A 76 10.824 1.501 2.502 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.958 0.403 -0.096 1.00 0.00 H new ATOM 0 HB3 ARG A 76 11.160 1.960 0.009 1.00 0.00 H new ATOM 0 HG2 ARG A 76 13.206 1.696 2.076 1.00 0.00 H new ATOM 0 HG3 ARG A 76 13.879 1.402 0.485 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.993 3.640 0.241 1.00 0.00 H new ATOM 0 HD3 ARG A 76 12.250 3.623 0.060 1.00 0.00 H new ATOM 0 HE ARG A 76 13.779 4.490 2.419 1.00 0.00 H new ATOM 0 HH11 ARG A 76 10.637 3.483 1.136 1.00 0.00 H new ATOM 0 HH12 ARG A 76 9.732 4.270 2.434 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.600 5.493 4.073 1.00 0.00 H new ATOM 0 HH22 ARG A 76 10.836 5.399 4.084 1.00 0.00 H new ATOM 1071 N LEU A 77 8.497 0.670 2.100 1.00 0.00 N ATOM 1072 CA LEU A 77 7.105 0.401 1.758 1.00 0.00 C ATOM 1073 C LEU A 77 6.690 1.170 0.509 1.00 0.00 C ATOM 1074 O LEU A 77 7.065 2.329 0.327 1.00 0.00 O ATOM 1075 CB LEU A 77 6.191 0.774 2.928 1.00 0.00 C ATOM 1076 CG LEU A 77 6.187 2.259 3.296 1.00 0.00 C ATOM 1077 CD1 LEU A 77 5.264 3.040 2.370 1.00 0.00 C ATOM 1078 CD2 LEU A 77 5.772 2.443 4.749 1.00 0.00 C ATOM 0 H LEU A 77 8.633 1.084 3.022 1.00 0.00 H new ATOM 0 HA LEU A 77 7.008 -0.665 1.553 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.172 0.473 2.684 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.493 0.199 3.803 1.00 0.00 H new ATOM 0 HG LEU A 77 7.198 2.648 3.174 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.276 4.094 2.649 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.606 2.933 1.341 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.249 2.653 2.457 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.774 3.505 4.996 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.771 2.038 4.895 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.474 1.918 5.397 1.00 0.00 H new ATOM 1090 N GLY A 78 5.914 0.518 -0.349 1.00 0.00 N ATOM 1091 CA GLY A 78 5.457 1.154 -1.571 1.00 0.00 C ATOM 1092 C GLY A 78 4.003 0.847 -1.873 1.00 0.00 C ATOM 1093 O GLY A 78 3.360 0.089 -1.148 1.00 0.00 O ATOM 0 H GLY A 78 5.593 -0.441 -0.220 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.588 2.233 -1.487 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.076 0.822 -2.404 1.00 0.00 H new ATOM 1097 N TYR A 79 3.484 1.435 -2.946 1.00 0.00 N ATOM 1098 CA TYR A 79 2.098 1.218 -3.338 1.00 0.00 C ATOM 1099 C TYR A 79 2.015 0.311 -4.562 1.00 0.00 C ATOM 1100 O TYR A 79 2.673 0.554 -5.573 1.00 0.00 O ATOM 1101 CB TYR A 79 1.412 2.555 -3.627 1.00 0.00 C ATOM 1102 CG TYR A 79 1.296 3.447 -2.413 1.00 0.00 C ATOM 1103 CD1 TYR A 79 2.430 3.950 -1.787 1.00 0.00 C ATOM 1104 CD2 TYR A 79 0.054 3.786 -1.892 1.00 0.00 C ATOM 1105 CE1 TYR A 79 2.330 4.764 -0.675 1.00 0.00 C ATOM 1106 CE2 TYR A 79 -0.054 4.601 -0.780 1.00 0.00 C ATOM 1107 CZ TYR A 79 1.086 5.087 -0.176 1.00 0.00 C ATOM 1108 OH TYR A 79 0.981 5.898 0.931 1.00 0.00 O ATOM 0 H TYR A 79 4.003 2.065 -3.558 1.00 0.00 H new ATOM 0 HA TYR A 79 1.584 0.728 -2.511 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.970 3.080 -4.402 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.415 2.365 -4.025 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.406 3.700 -2.176 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -0.841 3.407 -2.363 1.00 0.00 H new ATOM 0 HE1 TYR A 79 3.222 5.145 -0.199 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.027 4.856 -0.387 1.00 0.00 H new ATOM 0 HH TYR A 79 0.035 6.029 1.152 1.00 0.00 H new ATOM 1118 N PHE A 80 1.204 -0.738 -4.461 1.00 0.00 N ATOM 1119 CA PHE A 80 1.037 -1.682 -5.559 1.00 0.00 C ATOM 1120 C PHE A 80 -0.270 -2.460 -5.417 1.00 0.00 C ATOM 1121 O PHE A 80 -0.787 -2.625 -4.311 1.00 0.00 O ATOM 1122 CB PHE A 80 2.223 -2.653 -5.607 1.00 0.00 C ATOM 1123 CG PHE A 80 2.247 -3.634 -4.468 1.00 0.00 C ATOM 1124 CD1 PHE A 80 1.448 -4.766 -4.495 1.00 0.00 C ATOM 1125 CD2 PHE A 80 3.067 -3.425 -3.370 1.00 0.00 C ATOM 1126 CE1 PHE A 80 1.467 -5.671 -3.451 1.00 0.00 C ATOM 1127 CE2 PHE A 80 3.090 -4.327 -2.322 1.00 0.00 C ATOM 1128 CZ PHE A 80 2.288 -5.451 -2.364 1.00 0.00 C ATOM 0 H PHE A 80 0.653 -0.955 -3.630 1.00 0.00 H new ATOM 0 HA PHE A 80 1.000 -1.117 -6.490 1.00 0.00 H new ATOM 0 HB2 PHE A 80 2.193 -3.203 -6.548 1.00 0.00 H new ATOM 0 HB3 PHE A 80 3.150 -2.080 -5.601 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.802 -4.943 -5.343 1.00 0.00 H new ATOM 0 HD2 PHE A 80 3.695 -2.547 -3.333 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.840 -6.550 -3.486 1.00 0.00 H new ATOM 0 HE2 PHE A 80 3.734 -4.153 -1.472 1.00 0.00 H new ATOM 0 HZ PHE A 80 2.304 -6.157 -1.547 1.00 0.00 H new ATOM 1138 N PRO A 81 -0.821 -2.955 -6.538 1.00 0.00 N ATOM 1139 CA PRO A 81 -2.071 -3.722 -6.532 1.00 0.00 C ATOM 1140 C PRO A 81 -1.971 -4.973 -5.667 1.00 0.00 C ATOM 1141 O PRO A 81 -1.365 -5.969 -6.064 1.00 0.00 O ATOM 1142 CB PRO A 81 -2.279 -4.103 -8.004 1.00 0.00 C ATOM 1143 CG PRO A 81 -0.948 -3.921 -8.649 1.00 0.00 C ATOM 1144 CD PRO A 81 -0.273 -2.811 -7.896 1.00 0.00 C ATOM 0 HA PRO A 81 -2.897 -3.146 -6.114 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -2.625 -5.132 -8.099 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.033 -3.469 -8.472 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -0.362 -4.839 -8.600 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -1.057 -3.668 -9.704 1.00 0.00 H new ATOM 0 HD2 PRO A 81 0.812 -2.916 -7.907 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -0.503 -1.835 -8.323 1.00 0.00 H new ATOM 1152 N SER A 82 -2.568 -4.914 -4.480 1.00 0.00 N ATOM 1153 CA SER A 82 -2.548 -6.040 -3.552 1.00 0.00 C ATOM 1154 C SER A 82 -3.030 -7.321 -4.231 1.00 0.00 C ATOM 1155 O SER A 82 -2.670 -8.424 -3.821 1.00 0.00 O ATOM 1156 CB SER A 82 -3.419 -5.735 -2.331 1.00 0.00 C ATOM 1157 OG SER A 82 -2.711 -5.975 -1.127 1.00 0.00 O ATOM 0 H SER A 82 -3.073 -4.096 -4.138 1.00 0.00 H new ATOM 0 HA SER A 82 -1.518 -6.192 -3.228 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.745 -4.696 -2.364 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.317 -6.352 -2.358 1.00 0.00 H new ATOM 0 HG SER A 82 -3.288 -5.771 -0.362 1.00 0.00 H new ATOM 1163 N SER A 83 -3.847 -7.166 -5.270 1.00 0.00 N ATOM 1164 CA SER A 83 -4.380 -8.307 -6.006 1.00 0.00 C ATOM 1165 C SER A 83 -3.270 -9.283 -6.391 1.00 0.00 C ATOM 1166 O SER A 83 -3.508 -10.483 -6.532 1.00 0.00 O ATOM 1167 CB SER A 83 -5.111 -7.830 -7.262 1.00 0.00 C ATOM 1168 OG SER A 83 -6.108 -8.759 -7.656 1.00 0.00 O ATOM 0 H SER A 83 -4.154 -6.259 -5.621 1.00 0.00 H new ATOM 0 HA SER A 83 -5.083 -8.828 -5.355 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.569 -6.859 -7.074 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.396 -7.693 -8.073 1.00 0.00 H new ATOM 0 HG SER A 83 -6.562 -8.430 -8.460 1.00 0.00 H new ATOM 1174 N ILE A 84 -2.059 -8.761 -6.557 1.00 0.00 N ATOM 1175 CA ILE A 84 -0.915 -9.587 -6.924 1.00 0.00 C ATOM 1176 C ILE A 84 -0.490 -10.479 -5.761 1.00 0.00 C ATOM 1177 O ILE A 84 0.023 -11.579 -5.964 1.00 0.00 O ATOM 1178 CB ILE A 84 0.282 -8.720 -7.368 1.00 0.00 C ATOM 1179 CG1 ILE A 84 1.422 -9.605 -7.877 1.00 0.00 C ATOM 1180 CG2 ILE A 84 0.757 -7.837 -6.222 1.00 0.00 C ATOM 1181 CD1 ILE A 84 1.223 -10.088 -9.297 1.00 0.00 C ATOM 0 H ILE A 84 -1.845 -7.770 -6.443 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.225 -10.213 -7.760 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.042 -8.074 -8.184 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.357 -9.048 -7.819 1.00 0.00 H new ATOM 0 HG13 ILE A 84 1.523 -10.468 -7.219 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.601 -7.233 -6.554 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.055 -7.182 -5.906 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.065 -8.463 -5.384 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.069 -10.709 -9.592 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.305 -10.672 -9.357 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.152 -9.231 -9.966 1.00 0.00 H new ATOM 1193 N VAL A 85 -0.708 -9.995 -4.543 1.00 0.00 N ATOM 1194 CA VAL A 85 -0.351 -10.746 -3.344 1.00 0.00 C ATOM 1195 C VAL A 85 -1.595 -11.305 -2.658 1.00 0.00 C ATOM 1196 O VAL A 85 -2.689 -10.757 -2.794 1.00 0.00 O ATOM 1197 CB VAL A 85 0.421 -9.866 -2.343 1.00 0.00 C ATOM 1198 CG1 VAL A 85 1.746 -9.412 -2.939 1.00 0.00 C ATOM 1199 CG2 VAL A 85 -0.420 -8.669 -1.921 1.00 0.00 C ATOM 0 H VAL A 85 -1.131 -9.085 -4.359 1.00 0.00 H new ATOM 0 HA VAL A 85 0.288 -11.570 -3.662 1.00 0.00 H new ATOM 0 HB VAL A 85 0.634 -10.462 -1.455 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.276 -8.792 -2.217 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.353 -10.284 -3.183 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.559 -8.835 -3.845 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.143 -8.060 -1.214 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.668 -8.071 -2.798 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.338 -9.018 -1.449 1.00 0.00 H new ATOM 1209 N ARG A 86 -1.420 -12.394 -1.917 1.00 0.00 N ATOM 1210 CA ARG A 86 -2.527 -13.023 -1.206 1.00 0.00 C ATOM 1211 C ARG A 86 -2.348 -12.884 0.303 1.00 0.00 C ATOM 1212 O ARG A 86 -1.382 -13.393 0.872 1.00 0.00 O ATOM 1213 CB ARG A 86 -2.632 -14.501 -1.585 1.00 0.00 C ATOM 1214 CG ARG A 86 -4.048 -15.051 -1.498 1.00 0.00 C ATOM 1215 CD ARG A 86 -4.400 -15.883 -2.721 1.00 0.00 C ATOM 1216 NE ARG A 86 -5.677 -16.576 -2.562 1.00 0.00 N ATOM 1217 CZ ARG A 86 -6.083 -17.573 -3.345 1.00 0.00 C ATOM 1218 NH1 ARG A 86 -5.317 -17.997 -4.343 1.00 0.00 N ATOM 1219 NH2 ARG A 86 -7.258 -18.149 -3.130 1.00 0.00 N ATOM 0 H ARG A 86 -0.521 -12.860 -1.793 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.448 -12.517 -1.495 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.261 -14.635 -2.601 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.984 -15.083 -0.930 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.148 -15.662 -0.601 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.754 -14.226 -1.402 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.444 -15.237 -3.598 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.611 -16.613 -2.902 1.00 0.00 H new ATOM 0 HE ARG A 86 -6.294 -16.278 -1.806 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -4.412 -17.558 -4.513 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -5.633 -18.761 -4.940 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -7.851 -17.828 -2.365 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -7.569 -18.913 -3.730 1.00 0.00 H new ATOM 1233 N GLU A 87 -3.282 -12.190 0.944 1.00 0.00 N ATOM 1234 CA GLU A 87 -3.224 -11.982 2.386 1.00 0.00 C ATOM 1235 C GLU A 87 -3.505 -13.275 3.139 1.00 0.00 C ATOM 1236 O GLU A 87 -4.413 -14.028 2.786 1.00 0.00 O ATOM 1237 CB GLU A 87 -4.222 -10.904 2.809 1.00 0.00 C ATOM 1238 CG GLU A 87 -4.123 -9.627 1.989 1.00 0.00 C ATOM 1239 CD GLU A 87 -5.460 -9.197 1.413 1.00 0.00 C ATOM 1240 OE1 GLU A 87 -6.060 -9.987 0.655 1.00 0.00 O ATOM 1241 OE2 GLU A 87 -5.903 -8.071 1.720 1.00 0.00 O ATOM 0 H GLU A 87 -4.088 -11.762 0.488 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.216 -11.652 2.636 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -5.233 -11.303 2.724 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.061 -10.664 3.860 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.728 -8.827 2.615 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -3.412 -9.776 1.176 1.00 0.00 H new ATOM 1248 N ASP A 88 -2.717 -13.527 4.179 1.00 0.00 N ATOM 1249 CA ASP A 88 -2.880 -14.732 4.984 1.00 0.00 C ATOM 1250 C ASP A 88 -2.921 -14.403 6.468 1.00 0.00 C ATOM 1251 O ASP A 88 -3.754 -14.924 7.210 1.00 0.00 O ATOM 1252 CB ASP A 88 -1.748 -15.719 4.697 1.00 0.00 C ATOM 1253 CG ASP A 88 -2.235 -17.154 4.632 1.00 0.00 C ATOM 1254 OD1 ASP A 88 -3.211 -17.417 3.899 1.00 0.00 O ATOM 1255 OD2 ASP A 88 -1.638 -18.015 5.314 1.00 0.00 O ATOM 0 H ASP A 88 -1.961 -12.914 4.484 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.831 -15.190 4.712 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -1.272 -15.457 3.752 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.987 -15.631 5.473 1.00 0.00 H new ATOM 1260 N GLN A 89 -2.009 -13.547 6.895 1.00 0.00 N ATOM 1261 CA GLN A 89 -1.918 -13.150 8.284 1.00 0.00 C ATOM 1262 C GLN A 89 -2.462 -11.741 8.482 1.00 0.00 C ATOM 1263 O GLN A 89 -1.706 -10.770 8.489 1.00 0.00 O ATOM 1264 CB GLN A 89 -0.462 -13.213 8.707 1.00 0.00 C ATOM 1265 CG GLN A 89 -0.257 -13.243 10.213 1.00 0.00 C ATOM 1266 CD GLN A 89 -0.820 -14.496 10.854 1.00 0.00 C ATOM 1267 OE1 GLN A 89 -2.034 -14.690 10.904 1.00 0.00 O ATOM 1268 NE2 GLN A 89 0.063 -15.354 11.351 1.00 0.00 N ATOM 0 H GLN A 89 -1.314 -13.110 6.289 1.00 0.00 H new ATOM 0 HA GLN A 89 -2.516 -13.826 8.895 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -0.006 -14.101 8.271 1.00 0.00 H new ATOM 0 HB3 GLN A 89 0.063 -12.351 8.296 1.00 0.00 H new ATOM 0 HG2 GLN A 89 0.809 -13.175 10.432 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -0.731 -12.368 10.658 1.00 0.00 H new ATOM 0 HE21 GLN A 89 1.061 -15.153 11.288 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -0.257 -16.214 11.796 1.00 0.00 H new ATOM 1277 N THR A 90 -3.776 -11.634 8.636 1.00 0.00 N ATOM 1278 CA THR A 90 -4.409 -10.337 8.825 1.00 0.00 C ATOM 1279 C THR A 90 -4.392 -9.914 10.286 1.00 0.00 C ATOM 1280 O THR A 90 -4.428 -10.747 11.192 1.00 0.00 O ATOM 1281 CB THR A 90 -5.845 -10.353 8.310 1.00 0.00 C ATOM 1282 OG1 THR A 90 -6.513 -11.536 8.711 1.00 0.00 O ATOM 1283 CG2 THR A 90 -5.942 -10.255 6.804 1.00 0.00 C ATOM 0 H THR A 90 -4.420 -12.425 8.634 1.00 0.00 H new ATOM 0 HA THR A 90 -3.833 -9.611 8.251 1.00 0.00 H new ATOM 0 HB THR A 90 -6.316 -9.471 8.745 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.432 -11.524 8.371 1.00 0.00 H new ATOM 0 HG21 THR A 90 -6.990 -10.272 6.505 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.484 -9.324 6.470 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.422 -11.098 6.350 1.00 0.00 H new ATOM 1291 N LEU A 91 -4.336 -8.608 10.497 1.00 0.00 N ATOM 1292 CA LEU A 91 -4.313 -8.041 11.837 1.00 0.00 C ATOM 1293 C LEU A 91 -4.799 -6.594 11.813 1.00 0.00 C ATOM 1294 O LEU A 91 -4.413 -5.785 12.655 1.00 0.00 O ATOM 1295 CB LEU A 91 -2.896 -8.108 12.409 1.00 0.00 C ATOM 1296 CG LEU A 91 -2.811 -8.478 13.891 1.00 0.00 C ATOM 1297 CD1 LEU A 91 -1.359 -8.554 14.339 1.00 0.00 C ATOM 1298 CD2 LEU A 91 -3.579 -7.473 14.735 1.00 0.00 C ATOM 0 H LEU A 91 -4.305 -7.915 9.749 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.982 -8.622 12.472 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.323 -8.837 11.835 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.416 -7.140 12.264 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.264 -9.460 14.028 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.318 -8.818 15.396 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.837 -9.312 13.755 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.881 -7.586 14.188 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.508 -7.751 15.786 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -3.155 -6.479 14.593 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.626 -7.467 14.431 1.00 0.00 H new ATOM 1310 N LYS A 92 -5.645 -6.278 10.833 1.00 0.00 N ATOM 1311 CA LYS A 92 -6.182 -4.930 10.684 1.00 0.00 C ATOM 1312 C LYS A 92 -6.855 -4.449 11.970 1.00 0.00 C ATOM 1313 O LYS A 92 -7.943 -4.907 12.315 1.00 0.00 O ATOM 1314 CB LYS A 92 -7.186 -4.889 9.530 1.00 0.00 C ATOM 1315 CG LYS A 92 -7.756 -3.504 9.268 1.00 0.00 C ATOM 1316 CD LYS A 92 -8.164 -3.336 7.812 1.00 0.00 C ATOM 1317 CE LYS A 92 -9.636 -3.656 7.603 1.00 0.00 C ATOM 1318 NZ LYS A 92 -9.833 -4.704 6.562 1.00 0.00 N ATOM 0 H LYS A 92 -5.973 -6.940 10.130 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.348 -4.262 10.467 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.700 -5.250 8.624 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -8.005 -5.575 9.747 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -8.620 -3.337 9.911 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -7.015 -2.749 9.529 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -7.965 -2.313 7.493 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -7.556 -3.989 7.186 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -10.072 -3.992 8.544 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -10.167 -2.750 7.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -10.849 -4.894 6.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -9.440 -4.373 5.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -9.348 -5.577 6.852 1.00 0.00 H new ATOM 1332 N PRO A 93 -6.218 -3.511 12.694 1.00 0.00 N ATOM 1333 CA PRO A 93 -6.765 -2.971 13.936 1.00 0.00 C ATOM 1334 C PRO A 93 -7.760 -1.841 13.683 1.00 0.00 C ATOM 1335 O PRO A 93 -8.660 -1.602 14.487 1.00 0.00 O ATOM 1336 CB PRO A 93 -5.524 -2.443 14.647 1.00 0.00 C ATOM 1337 CG PRO A 93 -4.617 -2.008 13.545 1.00 0.00 C ATOM 1338 CD PRO A 93 -4.916 -2.898 12.361 1.00 0.00 C ATOM 0 HA PRO A 93 -7.322 -3.715 14.506 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.769 -1.613 15.310 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.060 -3.215 15.261 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.786 -0.961 13.295 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.573 -2.099 13.844 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.970 -2.326 11.435 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.142 -3.654 12.224 1.00 0.00 H new ATOM 1346 N GLY A 94 -7.588 -1.151 12.559 1.00 0.00 N ATOM 1347 CA GLY A 94 -8.475 -0.054 12.216 1.00 0.00 C ATOM 1348 C GLY A 94 -8.728 0.043 10.723 1.00 0.00 C ATOM 1349 O GLY A 94 -7.983 -0.520 9.921 1.00 0.00 O ATOM 0 H GLY A 94 -6.849 -1.332 11.879 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.425 -0.183 12.735 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.043 0.882 12.570 1.00 0.00 H new ATOM 1353 N LYS A 95 -9.781 0.764 10.349 1.00 0.00 N ATOM 1354 CA LYS A 95 -10.129 0.945 8.955 1.00 0.00 C ATOM 1355 C LYS A 95 -10.843 2.277 8.750 1.00 0.00 C ATOM 1356 O LYS A 95 -11.897 2.339 8.120 1.00 0.00 O ATOM 1357 CB LYS A 95 -11.004 -0.210 8.462 1.00 0.00 C ATOM 1358 CG LYS A 95 -12.177 -0.519 9.378 1.00 0.00 C ATOM 1359 CD LYS A 95 -13.497 -0.069 8.769 1.00 0.00 C ATOM 1360 CE LYS A 95 -14.361 0.659 9.787 1.00 0.00 C ATOM 1361 NZ LYS A 95 -15.044 -0.286 10.714 1.00 0.00 N ATOM 0 H LYS A 95 -10.408 1.233 11.002 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.208 0.952 8.372 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -11.383 0.031 7.469 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -10.388 -1.104 8.360 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -12.213 -1.590 9.575 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -12.031 -0.023 10.338 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -13.303 0.587 7.920 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -14.036 -0.935 8.386 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -13.742 1.348 10.362 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -15.107 1.260 9.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -15.623 0.250 11.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -15.655 -0.927 10.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -14.332 -0.842 11.230 1.00 0.00 H new ATOM 1375 N VAL A 96 -10.261 3.339 9.293 1.00 0.00 N ATOM 1376 CA VAL A 96 -10.841 4.670 9.177 1.00 0.00 C ATOM 1377 C VAL A 96 -10.412 5.338 7.880 1.00 0.00 C ATOM 1378 O VAL A 96 -9.251 5.261 7.483 1.00 0.00 O ATOM 1379 CB VAL A 96 -10.440 5.574 10.359 1.00 0.00 C ATOM 1380 CG1 VAL A 96 -11.379 6.766 10.460 1.00 0.00 C ATOM 1381 CG2 VAL A 96 -10.426 4.787 11.662 1.00 0.00 C ATOM 0 H VAL A 96 -9.387 3.304 9.818 1.00 0.00 H new ATOM 0 HA VAL A 96 -11.923 4.541 9.184 1.00 0.00 H new ATOM 0 HB VAL A 96 -9.431 5.945 10.178 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -11.081 7.394 11.300 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.331 7.346 9.538 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -12.399 6.414 10.614 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -10.140 5.446 12.482 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.419 4.381 11.852 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -9.708 3.970 11.586 1.00 0.00 H new ATOM 1391 N ASP A 97 -11.356 5.991 7.224 1.00 0.00 N ATOM 1392 CA ASP A 97 -11.084 6.671 5.971 1.00 0.00 C ATOM 1393 C ASP A 97 -10.326 7.969 6.212 1.00 0.00 C ATOM 1394 O ASP A 97 -10.583 8.686 7.179 1.00 0.00 O ATOM 1395 CB ASP A 97 -12.386 6.954 5.221 1.00 0.00 C ATOM 1396 CG ASP A 97 -12.144 7.425 3.801 1.00 0.00 C ATOM 1397 OD1 ASP A 97 -11.372 6.761 3.078 1.00 0.00 O ATOM 1398 OD2 ASP A 97 -12.727 8.459 3.410 1.00 0.00 O ATOM 0 H ASP A 97 -12.323 6.064 7.541 1.00 0.00 H new ATOM 0 HA ASP A 97 -10.462 6.017 5.360 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -12.995 6.050 5.202 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -12.955 7.711 5.760 1.00 0.00 H new ATOM 1403 N VAL A 98 -9.389 8.257 5.324 1.00 0.00 N ATOM 1404 CA VAL A 98 -8.574 9.460 5.421 1.00 0.00 C ATOM 1405 C VAL A 98 -8.429 10.131 4.059 1.00 0.00 C ATOM 1406 O VAL A 98 -7.814 9.579 3.147 1.00 0.00 O ATOM 1407 CB VAL A 98 -7.172 9.143 5.974 1.00 0.00 C ATOM 1408 CG1 VAL A 98 -6.442 10.422 6.352 1.00 0.00 C ATOM 1409 CG2 VAL A 98 -7.269 8.201 7.164 1.00 0.00 C ATOM 0 H VAL A 98 -9.171 7.669 4.520 1.00 0.00 H new ATOM 0 HA VAL A 98 -9.083 10.136 6.107 1.00 0.00 H new ATOM 0 HB VAL A 98 -6.598 8.646 5.192 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -5.454 10.176 6.740 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -6.338 11.056 5.471 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -7.010 10.953 7.116 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -6.269 7.988 7.542 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -7.862 8.668 7.950 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.746 7.271 6.854 1.00 0.00 H new ATOM 1419 N LYS A 99 -9.002 11.322 3.926 1.00 0.00 N ATOM 1420 CA LYS A 99 -8.937 12.063 2.672 1.00 0.00 C ATOM 1421 C LYS A 99 -7.600 12.785 2.531 1.00 0.00 C ATOM 1422 O LYS A 99 -7.390 13.844 3.123 1.00 0.00 O ATOM 1423 CB LYS A 99 -10.087 13.068 2.588 1.00 0.00 C ATOM 1424 CG LYS A 99 -10.150 14.022 3.772 1.00 0.00 C ATOM 1425 CD LYS A 99 -10.124 15.475 3.323 1.00 0.00 C ATOM 1426 CE LYS A 99 -10.821 16.381 4.325 1.00 0.00 C ATOM 1427 NZ LYS A 99 -12.198 16.740 3.886 1.00 0.00 N ATOM 0 H LYS A 99 -9.516 11.794 4.670 1.00 0.00 H new ATOM 0 HA LYS A 99 -9.029 11.349 1.854 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -9.986 13.647 1.670 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.029 12.524 2.520 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -11.059 13.834 4.344 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -9.309 13.832 4.439 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.091 15.799 3.195 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.609 15.565 2.351 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -10.867 15.883 5.294 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.235 17.290 4.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.639 17.358 4.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -12.153 17.238 2.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -12.765 15.875 3.780 1.00 0.00 H new ATOM 1441 N THR A 100 -6.702 12.206 1.741 1.00 0.00 N ATOM 1442 CA THR A 100 -5.385 12.788 1.519 1.00 0.00 C ATOM 1443 C THR A 100 -5.455 13.927 0.505 1.00 0.00 C ATOM 1444 O THR A 100 -6.523 14.236 -0.024 1.00 0.00 O ATOM 1445 CB THR A 100 -4.410 11.711 1.036 1.00 0.00 C ATOM 1446 OG1 THR A 100 -3.076 12.184 1.084 1.00 0.00 O ATOM 1447 CG2 THR A 100 -4.681 11.242 -0.379 1.00 0.00 C ATOM 0 H THR A 100 -6.864 11.331 1.243 1.00 0.00 H new ATOM 0 HA THR A 100 -5.027 13.196 2.464 1.00 0.00 H new ATOM 0 HB THR A 100 -4.556 10.869 1.712 1.00 0.00 H new ATOM 0 HG1 THR A 100 -2.459 11.439 0.928 1.00 0.00 H new ATOM 0 HG21 THR A 100 -3.953 10.479 -0.655 1.00 0.00 H new ATOM 0 HG22 THR A 100 -5.685 10.823 -0.437 1.00 0.00 H new ATOM 0 HG23 THR A 100 -4.600 12.086 -1.064 1.00 0.00 H new ATOM 1455 N ASP A 101 -4.309 14.544 0.234 1.00 0.00 N ATOM 1456 CA ASP A 101 -4.240 15.643 -0.720 1.00 0.00 C ATOM 1457 C ASP A 101 -3.646 15.163 -2.037 1.00 0.00 C ATOM 1458 O ASP A 101 -2.427 15.129 -2.204 1.00 0.00 O ATOM 1459 CB ASP A 101 -3.401 16.791 -0.155 1.00 0.00 C ATOM 1460 CG ASP A 101 -4.191 17.672 0.793 1.00 0.00 C ATOM 1461 OD1 ASP A 101 -5.422 17.781 0.615 1.00 0.00 O ATOM 1462 OD2 ASP A 101 -3.576 18.253 1.712 1.00 0.00 O ATOM 0 H ASP A 101 -3.416 14.301 0.662 1.00 0.00 H new ATOM 0 HA ASP A 101 -5.252 16.006 -0.901 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -2.537 16.382 0.368 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.019 17.397 -0.977 1.00 0.00 H new ATOM 1467 N LYS A 102 -4.513 14.781 -2.969 1.00 0.00 N ATOM 1468 CA LYS A 102 -4.067 14.289 -4.267 1.00 0.00 C ATOM 1469 C LYS A 102 -3.334 12.960 -4.101 1.00 0.00 C ATOM 1470 O LYS A 102 -3.457 12.301 -3.069 1.00 0.00 O ATOM 1471 CB LYS A 102 -3.158 15.322 -4.943 1.00 0.00 C ATOM 1472 CG LYS A 102 -3.693 15.826 -6.274 1.00 0.00 C ATOM 1473 CD LYS A 102 -4.419 17.155 -6.119 1.00 0.00 C ATOM 1474 CE LYS A 102 -3.740 18.261 -6.911 1.00 0.00 C ATOM 1475 NZ LYS A 102 -4.503 18.611 -8.142 1.00 0.00 N ATOM 0 H LYS A 102 -5.526 14.803 -2.850 1.00 0.00 H new ATOM 0 HA LYS A 102 -4.939 14.129 -4.901 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -3.023 16.170 -4.271 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -2.174 14.880 -5.100 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -2.869 15.941 -6.978 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -4.373 15.086 -6.697 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -5.451 17.048 -6.454 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -4.453 17.430 -5.065 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -3.637 19.146 -6.284 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -2.733 17.946 -7.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -4.007 19.369 -8.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -4.580 17.773 -8.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -5.455 18.936 -7.879 1.00 0.00 H new ATOM 1489 N TRP A 103 -2.573 12.569 -5.118 1.00 0.00 N ATOM 1490 CA TRP A 103 -1.826 11.319 -5.072 1.00 0.00 C ATOM 1491 C TRP A 103 -0.864 11.268 -3.885 1.00 0.00 C ATOM 1492 O TRP A 103 -0.364 10.202 -3.529 1.00 0.00 O ATOM 1493 CB TRP A 103 -1.066 11.127 -6.372 1.00 0.00 C ATOM 1494 CG TRP A 103 -1.843 10.303 -7.319 1.00 0.00 C ATOM 1495 CD1 TRP A 103 -2.366 10.696 -8.504 1.00 0.00 C ATOM 1496 CD2 TRP A 103 -2.223 8.937 -7.142 1.00 0.00 C ATOM 1497 NE1 TRP A 103 -3.034 9.659 -9.075 1.00 0.00 N ATOM 1498 CE2 TRP A 103 -2.959 8.577 -8.270 1.00 0.00 C ATOM 1499 CE3 TRP A 103 -2.007 7.984 -6.148 1.00 0.00 C ATOM 1500 CZ2 TRP A 103 -3.488 7.321 -8.452 1.00 0.00 C ATOM 1501 CZ3 TRP A 103 -2.535 6.716 -6.320 1.00 0.00 C ATOM 1502 CH2 TRP A 103 -3.271 6.392 -7.472 1.00 0.00 C ATOM 0 H TRP A 103 -2.458 13.099 -5.982 1.00 0.00 H new ATOM 0 HA TRP A 103 -2.543 10.508 -4.943 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -0.851 12.098 -6.819 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -0.107 10.650 -6.170 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -2.268 11.683 -8.931 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -3.517 9.693 -9.973 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -1.440 8.230 -5.262 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -4.055 7.077 -9.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -2.379 5.966 -5.559 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -3.671 5.395 -7.585 1.00 0.00 H new ATOM 1513 N ASP A 104 -0.607 12.426 -3.274 1.00 0.00 N ATOM 1514 CA ASP A 104 0.299 12.510 -2.130 1.00 0.00 C ATOM 1515 C ASP A 104 1.760 12.358 -2.556 1.00 0.00 C ATOM 1516 O ASP A 104 2.657 12.335 -1.715 1.00 0.00 O ATOM 1517 CB ASP A 104 -0.051 11.441 -1.090 1.00 0.00 C ATOM 1518 CG ASP A 104 0.518 11.758 0.279 1.00 0.00 C ATOM 1519 OD1 ASP A 104 0.069 12.748 0.894 1.00 0.00 O ATOM 1520 OD2 ASP A 104 1.415 11.018 0.735 1.00 0.00 O ATOM 0 H ASP A 104 -1.014 13.318 -3.553 1.00 0.00 H new ATOM 0 HA ASP A 104 0.175 13.499 -1.688 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -1.135 11.349 -1.018 1.00 0.00 H new ATOM 0 HB3 ASP A 104 0.329 10.475 -1.424 1.00 0.00 H new ATOM 1525 N PHE A 105 1.997 12.261 -3.865 1.00 0.00 N ATOM 1526 CA PHE A 105 3.351 12.117 -4.394 1.00 0.00 C ATOM 1527 C PHE A 105 3.322 11.916 -5.906 1.00 0.00 C ATOM 1528 O PHE A 105 2.690 10.986 -6.406 1.00 0.00 O ATOM 1529 CB PHE A 105 4.069 10.938 -3.727 1.00 0.00 C ATOM 1530 CG PHE A 105 5.477 11.253 -3.309 1.00 0.00 C ATOM 1531 CD1 PHE A 105 5.724 12.073 -2.220 1.00 0.00 C ATOM 1532 CD2 PHE A 105 6.554 10.729 -4.006 1.00 0.00 C ATOM 1533 CE1 PHE A 105 7.018 12.365 -1.833 1.00 0.00 C ATOM 1534 CE2 PHE A 105 7.851 11.017 -3.625 1.00 0.00 C ATOM 1535 CZ PHE A 105 8.083 11.837 -2.537 1.00 0.00 C ATOM 0 H PHE A 105 1.267 12.280 -4.578 1.00 0.00 H new ATOM 0 HA PHE A 105 3.897 13.034 -4.172 1.00 0.00 H new ATOM 0 HB2 PHE A 105 3.500 10.624 -2.852 1.00 0.00 H new ATOM 0 HB3 PHE A 105 4.083 10.094 -4.417 1.00 0.00 H new ATOM 0 HD1 PHE A 105 4.895 12.489 -1.667 1.00 0.00 H new ATOM 0 HD2 PHE A 105 6.378 10.088 -4.857 1.00 0.00 H new ATOM 0 HE1 PHE A 105 7.197 13.005 -0.982 1.00 0.00 H new ATOM 0 HE2 PHE A 105 8.682 10.602 -4.177 1.00 0.00 H new ATOM 0 HZ PHE A 105 9.095 12.065 -2.238 1.00 0.00 H new ATOM 1545 N TYR A 106 4.010 12.794 -6.629 1.00 0.00 N ATOM 1546 CA TYR A 106 4.062 12.708 -8.085 1.00 0.00 C ATOM 1547 C TYR A 106 5.287 11.922 -8.539 1.00 0.00 C ATOM 1548 O TYR A 106 6.408 12.199 -8.111 1.00 0.00 O ATOM 1549 CB TYR A 106 4.080 14.109 -8.700 1.00 0.00 C ATOM 1550 CG TYR A 106 3.245 14.228 -9.956 1.00 0.00 C ATOM 1551 CD1 TYR A 106 3.795 13.971 -11.206 1.00 0.00 C ATOM 1552 CD2 TYR A 106 1.907 14.596 -9.890 1.00 0.00 C ATOM 1553 CE1 TYR A 106 3.035 14.079 -12.355 1.00 0.00 C ATOM 1554 CE2 TYR A 106 1.140 14.705 -11.035 1.00 0.00 C ATOM 1555 CZ TYR A 106 1.709 14.446 -12.264 1.00 0.00 C ATOM 1556 OH TYR A 106 0.948 14.554 -13.405 1.00 0.00 O ATOM 0 H TYR A 106 4.538 13.571 -6.232 1.00 0.00 H new ATOM 0 HA TYR A 106 3.170 12.183 -8.426 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.717 14.825 -7.963 1.00 0.00 H new ATOM 0 HB3 TYR A 106 5.110 14.383 -8.931 1.00 0.00 H new ATOM 0 HD1 TYR A 106 4.833 13.682 -11.281 1.00 0.00 H new ATOM 0 HD2 TYR A 106 1.459 14.800 -8.929 1.00 0.00 H new ATOM 0 HE1 TYR A 106 3.477 13.877 -13.319 1.00 0.00 H new ATOM 0 HE2 TYR A 106 0.101 14.991 -10.967 1.00 0.00 H new ATOM 0 HH TYR A 106 0.036 14.820 -13.166 1.00 0.00 H new ATOM 1566 N CYS A 107 5.066 10.941 -9.408 1.00 0.00 N ATOM 1567 CA CYS A 107 6.152 10.114 -9.921 1.00 0.00 C ATOM 1568 C CYS A 107 7.191 10.965 -10.643 1.00 0.00 C ATOM 1569 O CYS A 107 7.035 11.287 -11.822 1.00 0.00 O ATOM 1570 CB CYS A 107 5.603 9.042 -10.866 1.00 0.00 C ATOM 1571 SG CYS A 107 6.255 7.370 -10.553 1.00 0.00 S ATOM 0 H CYS A 107 4.144 10.699 -9.772 1.00 0.00 H new ATOM 0 HA CYS A 107 6.636 9.627 -9.074 1.00 0.00 H new ATOM 0 HB2 CYS A 107 4.517 9.019 -10.780 1.00 0.00 H new ATOM 0 HB3 CYS A 107 5.835 9.325 -11.893 1.00 0.00 H new ATOM 1576 N GLN A 108 8.252 11.328 -9.929 1.00 0.00 N ATOM 1577 CA GLN A 108 9.317 12.142 -10.503 1.00 0.00 C ATOM 1578 C GLN A 108 10.122 11.345 -11.526 1.00 0.00 C ATOM 1579 O GLN A 108 10.294 10.125 -11.320 1.00 0.00 O ATOM 1580 CB GLN A 108 10.241 12.661 -9.397 1.00 0.00 C ATOM 1581 CG GLN A 108 10.484 14.161 -9.463 1.00 0.00 C ATOM 1582 CD GLN A 108 11.959 14.513 -9.486 1.00 0.00 C ATOM 1583 OE1 GLN A 108 12.588 14.532 -10.544 1.00 0.00 O ATOM 1584 NE2 GLN A 108 12.518 14.795 -8.316 1.00 0.00 N ATOM 1585 OXT GLN A 108 10.571 11.947 -12.523 1.00 0.00 O ATOM 0 H GLN A 108 8.397 11.071 -8.953 1.00 0.00 H new ATOM 0 HA GLN A 108 8.859 12.990 -11.012 1.00 0.00 H new ATOM 0 HB2 GLN A 108 9.809 12.413 -8.428 1.00 0.00 H new ATOM 0 HB3 GLN A 108 11.198 12.143 -9.461 1.00 0.00 H new ATOM 0 HG2 GLN A 108 10.004 14.564 -10.355 1.00 0.00 H new ATOM 0 HG3 GLN A 108 10.013 14.640 -8.604 1.00 0.00 H new ATOM 0 HE21 GLN A 108 11.959 14.767 -7.464 1.00 0.00 H new ATOM 0 HE22 GLN A 108 13.507 15.040 -8.269 1.00 0.00 H new TER 1594 GLN A 108