USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 488 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 46 THR OG1 : rot -75:sc= 0.412 USER MOD Set 1.2: A 51 THR OG1 : rot -91:sc= 1.06 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 34:sc= 0.635 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 142:sc= 1.06 (180deg=0.034) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.323 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 73:sc= 0.921 USER MOD Single : A 37 MET CE :methyl -163:sc= -3.98! (180deg=-4.85) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.00332 USER MOD Single : A 41 ASN : amide:sc= 0.00579 K(o=0.0058,f=-0.72) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 77:sc= 1.01 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -127:sc= 1.19 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN :FLIP amide:sc= -4.23! C(o=-7.4!,f=-4.2!) USER MOD Single : A 63 SER OG : rot 18:sc= 0.505 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.251 -6.786 -14.963 1.00 0.00 N ATOM 2 CA GLY A 1 -11.113 -6.407 -13.570 1.00 0.00 C ATOM 3 C GLY A 1 -12.201 -6.999 -12.696 1.00 0.00 C ATOM 4 O GLY A 1 -13.385 -6.738 -12.905 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.483 -6.356 -15.517 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.201 -7.821 -15.048 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.168 -6.453 -15.324 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.140 -6.733 -13.203 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.137 -5.320 -13.488 1.00 0.00 H new ATOM 8 N SER A 2 -11.799 -7.802 -11.716 1.00 0.00 N ATOM 9 CA SER A 2 -12.749 -8.439 -10.811 1.00 0.00 C ATOM 10 C SER A 2 -13.785 -7.434 -10.317 1.00 0.00 C ATOM 11 O SER A 2 -13.485 -6.571 -9.492 1.00 0.00 O ATOM 12 CB SER A 2 -12.015 -9.058 -9.621 1.00 0.00 C ATOM 13 OG SER A 2 -11.277 -8.079 -8.910 1.00 0.00 O ATOM 0 H SER A 2 -10.822 -8.027 -11.528 1.00 0.00 H new ATOM 0 HA SER A 2 -13.265 -9.227 -11.360 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.734 -9.532 -8.953 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.342 -9.841 -9.972 1.00 0.00 H new ATOM 0 HG SER A 2 -11.759 -7.226 -8.932 1.00 0.00 H new ATOM 19 N SER A 3 -15.006 -7.553 -10.828 1.00 0.00 N ATOM 20 CA SER A 3 -16.088 -6.654 -10.443 1.00 0.00 C ATOM 21 C SER A 3 -16.257 -6.626 -8.927 1.00 0.00 C ATOM 22 O SER A 3 -16.241 -7.667 -8.270 1.00 0.00 O ATOM 23 CB SER A 3 -17.398 -7.084 -11.106 1.00 0.00 C ATOM 24 OG SER A 3 -17.709 -8.430 -10.794 1.00 0.00 O ATOM 0 H SER A 3 -15.271 -8.264 -11.510 1.00 0.00 H new ATOM 0 HA SER A 3 -15.831 -5.650 -10.781 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.208 -6.434 -10.774 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.318 -6.967 -12.187 1.00 0.00 H new ATOM 0 HG SER A 3 -18.551 -8.680 -11.228 1.00 0.00 H new ATOM 30 N GLY A 4 -16.419 -5.426 -8.377 1.00 0.00 N ATOM 31 CA GLY A 4 -16.589 -5.284 -6.943 1.00 0.00 C ATOM 32 C GLY A 4 -15.435 -5.880 -6.161 1.00 0.00 C ATOM 33 O GLY A 4 -15.588 -6.909 -5.503 1.00 0.00 O ATOM 0 H GLY A 4 -16.435 -4.550 -8.899 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.685 -4.227 -6.694 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.518 -5.768 -6.640 1.00 0.00 H new ATOM 37 N SER A 5 -14.276 -5.233 -6.233 1.00 0.00 N ATOM 38 CA SER A 5 -13.090 -5.709 -5.530 1.00 0.00 C ATOM 39 C SER A 5 -12.959 -5.033 -4.169 1.00 0.00 C ATOM 40 O SER A 5 -13.041 -3.810 -4.060 1.00 0.00 O ATOM 41 CB SER A 5 -11.837 -5.445 -6.366 1.00 0.00 C ATOM 42 OG SER A 5 -10.675 -5.915 -5.704 1.00 0.00 O ATOM 0 H SER A 5 -14.133 -4.378 -6.771 1.00 0.00 H new ATOM 0 HA SER A 5 -13.195 -6.783 -5.375 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.932 -5.936 -7.334 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.743 -4.376 -6.559 1.00 0.00 H new ATOM 0 HG SER A 5 -9.887 -5.736 -6.259 1.00 0.00 H new ATOM 48 N SER A 6 -12.753 -5.840 -3.132 1.00 0.00 N ATOM 49 CA SER A 6 -12.613 -5.321 -1.776 1.00 0.00 C ATOM 50 C SER A 6 -11.195 -4.814 -1.532 1.00 0.00 C ATOM 51 O SER A 6 -10.221 -5.533 -1.747 1.00 0.00 O ATOM 52 CB SER A 6 -12.961 -6.406 -0.755 1.00 0.00 C ATOM 53 OG SER A 6 -12.529 -6.041 0.544 1.00 0.00 O ATOM 0 H SER A 6 -12.679 -6.855 -3.205 1.00 0.00 H new ATOM 0 HA SER A 6 -13.304 -4.486 -1.659 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.038 -6.573 -0.750 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.494 -7.347 -1.046 1.00 0.00 H new ATOM 0 HG SER A 6 -12.764 -6.750 1.178 1.00 0.00 H new ATOM 59 N GLY A 7 -11.089 -3.567 -1.082 1.00 0.00 N ATOM 60 CA GLY A 7 -9.788 -2.983 -0.816 1.00 0.00 C ATOM 61 C GLY A 7 -9.801 -2.062 0.388 1.00 0.00 C ATOM 62 O GLY A 7 -10.605 -1.132 0.460 1.00 0.00 O ATOM 0 H GLY A 7 -11.881 -2.951 -0.897 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.062 -3.780 -0.652 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.457 -2.426 -1.692 1.00 0.00 H new ATOM 66 N LYS A 8 -8.909 -2.320 1.339 1.00 0.00 N ATOM 67 CA LYS A 8 -8.821 -1.508 2.547 1.00 0.00 C ATOM 68 C LYS A 8 -7.987 -0.255 2.300 1.00 0.00 C ATOM 69 O LYS A 8 -7.167 -0.213 1.382 1.00 0.00 O ATOM 70 CB LYS A 8 -8.210 -2.322 3.690 1.00 0.00 C ATOM 71 CG LYS A 8 -9.219 -3.185 4.429 1.00 0.00 C ATOM 72 CD LYS A 8 -8.533 -4.199 5.328 1.00 0.00 C ATOM 73 CE LYS A 8 -8.250 -5.498 4.589 1.00 0.00 C ATOM 74 NZ LYS A 8 -8.221 -6.666 5.511 1.00 0.00 N ATOM 0 H LYS A 8 -8.236 -3.086 1.296 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.830 -1.203 2.824 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.422 -2.960 3.290 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.739 -1.641 4.399 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -9.873 -2.550 5.027 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -9.851 -3.705 3.709 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -7.598 -3.781 5.702 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -9.162 -4.402 6.195 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -9.013 -5.656 3.827 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.294 -5.420 4.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -8.658 -7.487 5.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.236 -6.890 5.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -8.750 -6.438 6.377 1.00 0.00 H new ATOM 88 N VAL A 9 -8.202 0.765 3.125 1.00 0.00 N ATOM 89 CA VAL A 9 -7.468 2.019 2.997 1.00 0.00 C ATOM 90 C VAL A 9 -6.563 2.251 4.202 1.00 0.00 C ATOM 91 O VAL A 9 -7.035 2.377 5.332 1.00 0.00 O ATOM 92 CB VAL A 9 -8.425 3.217 2.850 1.00 0.00 C ATOM 93 CG1 VAL A 9 -7.642 4.516 2.739 1.00 0.00 C ATOM 94 CG2 VAL A 9 -9.333 3.027 1.644 1.00 0.00 C ATOM 0 H VAL A 9 -8.878 0.748 3.889 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.858 1.938 2.097 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.049 3.273 3.742 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.335 5.351 2.636 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.038 4.654 3.636 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.991 4.475 1.866 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -10.003 3.882 1.555 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.727 2.945 0.742 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -9.921 2.118 1.771 1.00 0.00 H new ATOM 104 N PHE A 10 -5.259 2.306 3.952 1.00 0.00 N ATOM 105 CA PHE A 10 -4.285 2.523 5.017 1.00 0.00 C ATOM 106 C PHE A 10 -3.526 3.829 4.802 1.00 0.00 C ATOM 107 O PHE A 10 -3.182 4.181 3.674 1.00 0.00 O ATOM 108 CB PHE A 10 -3.302 1.353 5.083 1.00 0.00 C ATOM 109 CG PHE A 10 -3.854 0.144 5.783 1.00 0.00 C ATOM 110 CD1 PHE A 10 -4.823 -0.641 5.178 1.00 0.00 C ATOM 111 CD2 PHE A 10 -3.404 -0.208 7.045 1.00 0.00 C ATOM 112 CE1 PHE A 10 -5.333 -1.753 5.820 1.00 0.00 C ATOM 113 CE2 PHE A 10 -3.911 -1.319 7.692 1.00 0.00 C ATOM 114 CZ PHE A 10 -4.876 -2.093 7.078 1.00 0.00 C ATOM 0 H PHE A 10 -4.852 2.203 3.022 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.825 2.589 5.962 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -3.012 1.075 4.070 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.397 1.678 5.596 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -5.183 -0.380 4.194 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.648 0.393 7.529 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -6.089 -2.356 5.338 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.553 -1.582 8.677 1.00 0.00 H new ATOM 0 HZ PHE A 10 -5.273 -2.963 7.581 1.00 0.00 H new ATOM 124 N ARG A 11 -3.270 4.543 5.893 1.00 0.00 N ATOM 125 CA ARG A 11 -2.553 5.811 5.825 1.00 0.00 C ATOM 126 C ARG A 11 -1.110 5.646 6.291 1.00 0.00 C ATOM 127 O ARG A 11 -0.816 4.816 7.151 1.00 0.00 O ATOM 128 CB ARG A 11 -3.259 6.866 6.679 1.00 0.00 C ATOM 129 CG ARG A 11 -2.458 8.148 6.848 1.00 0.00 C ATOM 130 CD ARG A 11 -3.317 9.271 7.408 1.00 0.00 C ATOM 131 NE ARG A 11 -2.516 10.284 8.090 1.00 0.00 N ATOM 132 CZ ARG A 11 -3.003 11.109 9.010 1.00 0.00 C ATOM 133 NH1 ARG A 11 -4.281 11.042 9.356 1.00 0.00 N ATOM 134 NH2 ARG A 11 -2.211 12.005 9.586 1.00 0.00 N ATOM 0 H ARG A 11 -3.548 4.265 6.834 1.00 0.00 H new ATOM 0 HA ARG A 11 -2.545 6.140 4.786 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.220 7.105 6.225 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.467 6.445 7.663 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.615 7.966 7.514 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.045 8.450 5.886 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.878 9.737 6.598 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.047 8.857 8.104 1.00 0.00 H new ATOM 0 HE ARG A 11 -1.529 10.362 7.847 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -4.893 10.355 8.915 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -4.652 11.677 10.063 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.227 12.061 9.322 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.586 12.638 10.292 1.00 0.00 H new ATOM 148 N ALA A 12 -0.213 6.441 5.717 1.00 0.00 N ATOM 149 CA ALA A 12 1.199 6.384 6.075 1.00 0.00 C ATOM 150 C ALA A 12 1.496 7.271 7.279 1.00 0.00 C ATOM 151 O ALA A 12 1.569 8.495 7.158 1.00 0.00 O ATOM 152 CB ALA A 12 2.060 6.793 4.889 1.00 0.00 C ATOM 0 H ALA A 12 -0.439 7.132 5.002 1.00 0.00 H new ATOM 0 HA ALA A 12 1.439 5.356 6.347 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.112 6.746 5.170 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.876 6.115 4.055 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.809 7.811 4.591 1.00 0.00 H new ATOM 158 N LEU A 13 1.668 6.648 8.439 1.00 0.00 N ATOM 159 CA LEU A 13 1.957 7.381 9.666 1.00 0.00 C ATOM 160 C LEU A 13 3.166 8.293 9.483 1.00 0.00 C ATOM 161 O LEU A 13 3.285 9.324 10.146 1.00 0.00 O ATOM 162 CB LEU A 13 2.209 6.407 10.819 1.00 0.00 C ATOM 163 CG LEU A 13 1.118 5.364 11.066 1.00 0.00 C ATOM 164 CD1 LEU A 13 1.686 4.164 11.808 1.00 0.00 C ATOM 165 CD2 LEU A 13 -0.038 5.976 11.843 1.00 0.00 C ATOM 0 H LEU A 13 1.612 5.636 8.556 1.00 0.00 H new ATOM 0 HA LEU A 13 1.091 7.999 9.903 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.147 5.885 10.629 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.345 6.985 11.733 1.00 0.00 H new ATOM 0 HG LEU A 13 0.741 5.024 10.101 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.896 3.432 11.975 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.480 3.711 11.214 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.090 4.487 12.767 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.805 5.220 12.010 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.323 6.344 12.803 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.462 6.803 11.273 1.00 0.00 H new ATOM 177 N TYR A 14 4.059 7.908 8.579 1.00 0.00 N ATOM 178 CA TYR A 14 5.260 8.691 8.308 1.00 0.00 C ATOM 179 C TYR A 14 5.851 8.329 6.949 1.00 0.00 C ATOM 180 O TYR A 14 5.482 7.321 6.346 1.00 0.00 O ATOM 181 CB TYR A 14 6.300 8.465 9.406 1.00 0.00 C ATOM 182 CG TYR A 14 5.696 8.169 10.761 1.00 0.00 C ATOM 183 CD1 TYR A 14 5.304 6.880 11.102 1.00 0.00 C ATOM 184 CD2 TYR A 14 5.516 9.178 11.699 1.00 0.00 C ATOM 185 CE1 TYR A 14 4.752 6.605 12.337 1.00 0.00 C ATOM 186 CE2 TYR A 14 4.966 8.911 12.937 1.00 0.00 C ATOM 187 CZ TYR A 14 4.585 7.624 13.252 1.00 0.00 C ATOM 188 OH TYR A 14 4.035 7.355 14.484 1.00 0.00 O ATOM 0 H TYR A 14 3.975 7.058 8.021 1.00 0.00 H new ATOM 0 HA TYR A 14 4.981 9.744 8.293 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.947 7.637 9.117 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.931 9.350 9.484 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.433 6.080 10.388 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.811 10.188 11.456 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.452 5.598 12.586 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.835 9.707 13.655 1.00 0.00 H new ATOM 0 HH TYR A 14 3.988 8.181 15.009 1.00 0.00 H new ATOM 198 N THR A 15 6.773 9.160 6.472 1.00 0.00 N ATOM 199 CA THR A 15 7.417 8.930 5.185 1.00 0.00 C ATOM 200 C THR A 15 8.349 7.725 5.244 1.00 0.00 C ATOM 201 O THR A 15 9.330 7.723 5.988 1.00 0.00 O ATOM 202 CB THR A 15 8.219 10.164 4.730 1.00 0.00 C ATOM 203 OG1 THR A 15 7.343 11.285 4.567 1.00 0.00 O ATOM 204 CG2 THR A 15 8.943 9.885 3.421 1.00 0.00 C ATOM 0 H THR A 15 7.090 9.999 6.958 1.00 0.00 H new ATOM 0 HA THR A 15 6.623 8.736 4.464 1.00 0.00 H new ATOM 0 HB THR A 15 8.960 10.392 5.496 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.861 12.066 4.279 1.00 0.00 H new ATOM 0 HG21 THR A 15 9.503 10.770 3.119 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.630 9.050 3.556 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.215 9.635 2.649 1.00 0.00 H new ATOM 212 N PHE A 16 8.038 6.703 4.455 1.00 0.00 N ATOM 213 CA PHE A 16 8.848 5.491 4.418 1.00 0.00 C ATOM 214 C PHE A 16 9.762 5.485 3.196 1.00 0.00 C ATOM 215 O PHE A 16 9.453 6.099 2.175 1.00 0.00 O ATOM 216 CB PHE A 16 7.951 4.252 4.404 1.00 0.00 C ATOM 217 CG PHE A 16 8.686 2.983 4.078 1.00 0.00 C ATOM 218 CD1 PHE A 16 9.673 2.502 4.923 1.00 0.00 C ATOM 219 CD2 PHE A 16 8.390 2.272 2.926 1.00 0.00 C ATOM 220 CE1 PHE A 16 10.351 1.334 4.625 1.00 0.00 C ATOM 221 CE2 PHE A 16 9.064 1.104 2.624 1.00 0.00 C ATOM 222 CZ PHE A 16 10.046 0.635 3.474 1.00 0.00 C ATOM 0 H PHE A 16 7.230 6.689 3.832 1.00 0.00 H new ATOM 0 HA PHE A 16 9.468 5.471 5.314 1.00 0.00 H new ATOM 0 HB2 PHE A 16 7.475 4.147 5.379 1.00 0.00 H new ATOM 0 HB3 PHE A 16 7.154 4.398 3.675 1.00 0.00 H new ATOM 0 HD1 PHE A 16 9.916 3.045 5.824 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.624 2.635 2.257 1.00 0.00 H new ATOM 0 HE1 PHE A 16 11.118 0.969 5.292 1.00 0.00 H new ATOM 0 HE2 PHE A 16 8.823 0.558 1.724 1.00 0.00 H new ATOM 0 HZ PHE A 16 10.575 -0.277 3.239 1.00 0.00 H new ATOM 232 N GLU A 17 10.888 4.787 3.309 1.00 0.00 N ATOM 233 CA GLU A 17 11.847 4.703 2.214 1.00 0.00 C ATOM 234 C GLU A 17 12.084 3.250 1.810 1.00 0.00 C ATOM 235 O GLU A 17 12.723 2.477 2.524 1.00 0.00 O ATOM 236 CB GLU A 17 13.172 5.355 2.616 1.00 0.00 C ATOM 237 CG GLU A 17 13.246 6.836 2.285 1.00 0.00 C ATOM 238 CD GLU A 17 14.671 7.330 2.136 1.00 0.00 C ATOM 239 OE1 GLU A 17 15.420 7.294 3.134 1.00 0.00 O ATOM 240 OE2 GLU A 17 15.038 7.752 1.019 1.00 0.00 O ATOM 0 H GLU A 17 11.158 4.272 4.147 1.00 0.00 H new ATOM 0 HA GLU A 17 11.432 5.237 1.359 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.322 5.223 3.687 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.989 4.838 2.113 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.701 7.025 1.360 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.748 7.405 3.070 1.00 0.00 H new ATOM 247 N PRO A 18 11.557 2.870 0.636 1.00 0.00 N ATOM 248 CA PRO A 18 11.698 1.509 0.110 1.00 0.00 C ATOM 249 C PRO A 18 13.128 1.199 -0.320 1.00 0.00 C ATOM 250 O PRO A 18 13.654 1.814 -1.248 1.00 0.00 O ATOM 251 CB PRO A 18 10.761 1.499 -1.101 1.00 0.00 C ATOM 252 CG PRO A 18 10.676 2.924 -1.526 1.00 0.00 C ATOM 253 CD PRO A 18 10.784 3.739 -0.267 1.00 0.00 C ATOM 0 HA PRO A 18 11.457 0.755 0.859 1.00 0.00 H new ATOM 0 HB2 PRO A 18 11.154 0.870 -1.900 1.00 0.00 H new ATOM 0 HB3 PRO A 18 9.779 1.105 -0.839 1.00 0.00 H new ATOM 0 HG2 PRO A 18 11.478 3.172 -2.221 1.00 0.00 H new ATOM 0 HG3 PRO A 18 9.735 3.123 -2.040 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.292 4.687 -0.444 1.00 0.00 H new ATOM 0 HD3 PRO A 18 9.803 3.975 0.145 1.00 0.00 H new ATOM 261 N ARG A 19 13.751 0.242 0.360 1.00 0.00 N ATOM 262 CA ARG A 19 15.120 -0.149 0.048 1.00 0.00 C ATOM 263 C ARG A 19 15.169 -0.993 -1.222 1.00 0.00 C ATOM 264 O ARG A 19 16.162 -0.982 -1.951 1.00 0.00 O ATOM 265 CB ARG A 19 15.729 -0.929 1.215 1.00 0.00 C ATOM 266 CG ARG A 19 16.264 -0.042 2.327 1.00 0.00 C ATOM 267 CD ARG A 19 15.138 0.529 3.175 1.00 0.00 C ATOM 268 NE ARG A 19 15.575 1.680 3.962 1.00 0.00 N ATOM 269 CZ ARG A 19 14.961 2.091 5.066 1.00 0.00 C ATOM 270 NH1 ARG A 19 13.891 1.447 5.512 1.00 0.00 N ATOM 271 NH2 ARG A 19 15.418 3.147 5.726 1.00 0.00 N ATOM 0 H ARG A 19 13.329 -0.277 1.130 1.00 0.00 H new ATOM 0 HA ARG A 19 15.701 0.758 -0.117 1.00 0.00 H new ATOM 0 HB2 ARG A 19 14.974 -1.598 1.627 1.00 0.00 H new ATOM 0 HB3 ARG A 19 16.539 -1.555 0.840 1.00 0.00 H new ATOM 0 HG2 ARG A 19 16.941 -0.617 2.959 1.00 0.00 H new ATOM 0 HG3 ARG A 19 16.845 0.773 1.896 1.00 0.00 H new ATOM 0 HD2 ARG A 19 14.311 0.824 2.529 1.00 0.00 H new ATOM 0 HD3 ARG A 19 14.759 -0.244 3.843 1.00 0.00 H new ATOM 0 HE ARG A 19 16.396 2.196 3.646 1.00 0.00 H new ATOM 0 HH11 ARG A 19 13.538 0.634 5.007 1.00 0.00 H new ATOM 0 HH12 ARG A 19 13.421 1.764 6.360 1.00 0.00 H new ATOM 0 HH21 ARG A 19 16.241 3.644 5.386 1.00 0.00 H new ATOM 0 HH22 ARG A 19 14.946 3.462 6.574 1.00 0.00 H new ATOM 285 N THR A 20 14.090 -1.725 -1.482 1.00 0.00 N ATOM 286 CA THR A 20 14.010 -2.576 -2.662 1.00 0.00 C ATOM 287 C THR A 20 13.183 -1.918 -3.760 1.00 0.00 C ATOM 288 O THR A 20 12.230 -1.184 -3.497 1.00 0.00 O ATOM 289 CB THR A 20 13.396 -3.948 -2.325 1.00 0.00 C ATOM 290 OG1 THR A 20 11.970 -3.841 -2.251 1.00 0.00 O ATOM 291 CG2 THR A 20 13.939 -4.475 -1.005 1.00 0.00 C ATOM 0 H THR A 20 13.259 -1.745 -0.891 1.00 0.00 H new ATOM 0 HA THR A 20 15.031 -2.720 -3.017 1.00 0.00 H new ATOM 0 HB THR A 20 13.667 -4.647 -3.116 1.00 0.00 H new ATOM 0 HG1 THR A 20 11.587 -4.717 -2.038 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.491 -5.445 -0.788 1.00 0.00 H new ATOM 0 HG22 THR A 20 15.021 -4.583 -1.074 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.694 -3.776 -0.206 1.00 0.00 H new ATOM 299 N PRO A 21 13.552 -2.185 -5.021 1.00 0.00 N ATOM 300 CA PRO A 21 12.855 -1.628 -6.185 1.00 0.00 C ATOM 301 C PRO A 21 11.462 -2.220 -6.364 1.00 0.00 C ATOM 302 O PRO A 21 10.714 -1.815 -7.254 1.00 0.00 O ATOM 303 CB PRO A 21 13.757 -2.019 -7.359 1.00 0.00 C ATOM 304 CG PRO A 21 14.486 -3.231 -6.890 1.00 0.00 C ATOM 305 CD PRO A 21 14.678 -3.051 -5.409 1.00 0.00 C ATOM 0 HA PRO A 21 12.697 -0.554 -6.090 1.00 0.00 H new ATOM 0 HB2 PRO A 21 13.172 -2.231 -8.254 1.00 0.00 H new ATOM 0 HB3 PRO A 21 14.448 -1.215 -7.612 1.00 0.00 H new ATOM 0 HG2 PRO A 21 13.916 -4.136 -7.103 1.00 0.00 H new ATOM 0 HG3 PRO A 21 15.445 -3.331 -7.399 1.00 0.00 H new ATOM 0 HD2 PRO A 21 14.652 -4.005 -4.882 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.638 -2.588 -5.182 1.00 0.00 H new ATOM 313 N ASP A 22 11.118 -3.180 -5.513 1.00 0.00 N ATOM 314 CA ASP A 22 9.812 -3.827 -5.576 1.00 0.00 C ATOM 315 C ASP A 22 8.834 -3.173 -4.605 1.00 0.00 C ATOM 316 O ASP A 22 7.620 -3.315 -4.744 1.00 0.00 O ATOM 317 CB ASP A 22 9.942 -5.318 -5.261 1.00 0.00 C ATOM 318 CG ASP A 22 10.429 -6.121 -6.452 1.00 0.00 C ATOM 319 OD1 ASP A 22 11.148 -5.550 -7.299 1.00 0.00 O ATOM 320 OD2 ASP A 22 10.091 -7.320 -6.536 1.00 0.00 O ATOM 0 H ASP A 22 11.725 -3.528 -4.771 1.00 0.00 H new ATOM 0 HA ASP A 22 9.425 -3.710 -6.588 1.00 0.00 H new ATOM 0 HB2 ASP A 22 10.633 -5.452 -4.429 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.975 -5.704 -4.937 1.00 0.00 H new ATOM 325 N GLU A 23 9.372 -2.457 -3.623 1.00 0.00 N ATOM 326 CA GLU A 23 8.546 -1.782 -2.629 1.00 0.00 C ATOM 327 C GLU A 23 7.965 -0.488 -3.191 1.00 0.00 C ATOM 328 O GLU A 23 8.361 -0.031 -4.264 1.00 0.00 O ATOM 329 CB GLU A 23 9.365 -1.483 -1.371 1.00 0.00 C ATOM 330 CG GLU A 23 9.502 -2.673 -0.436 1.00 0.00 C ATOM 331 CD GLU A 23 10.706 -2.559 0.479 1.00 0.00 C ATOM 332 OE1 GLU A 23 11.120 -1.420 0.777 1.00 0.00 O ATOM 333 OE2 GLU A 23 11.233 -3.611 0.898 1.00 0.00 O ATOM 0 H GLU A 23 10.376 -2.329 -3.494 1.00 0.00 H new ATOM 0 HA GLU A 23 7.722 -2.446 -2.368 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.359 -1.147 -1.666 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.898 -0.659 -0.831 1.00 0.00 H new ATOM 0 HG2 GLU A 23 8.599 -2.762 0.167 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.583 -3.586 -1.025 1.00 0.00 H new ATOM 340 N LEU A 24 7.023 0.097 -2.460 1.00 0.00 N ATOM 341 CA LEU A 24 6.386 1.339 -2.884 1.00 0.00 C ATOM 342 C LEU A 24 6.775 2.492 -1.965 1.00 0.00 C ATOM 343 O LEU A 24 6.839 2.334 -0.746 1.00 0.00 O ATOM 344 CB LEU A 24 4.865 1.175 -2.900 1.00 0.00 C ATOM 345 CG LEU A 24 4.057 2.440 -3.188 1.00 0.00 C ATOM 346 CD1 LEU A 24 4.067 2.754 -4.676 1.00 0.00 C ATOM 347 CD2 LEU A 24 2.629 2.287 -2.684 1.00 0.00 C ATOM 0 H LEU A 24 6.683 -0.269 -1.571 1.00 0.00 H new ATOM 0 HA LEU A 24 6.731 1.570 -3.892 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.608 0.426 -3.649 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.552 0.780 -1.933 1.00 0.00 H new ATOM 0 HG LEU A 24 4.522 3.272 -2.659 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.487 3.658 -4.861 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.094 2.908 -5.009 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.628 1.922 -5.226 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.068 3.197 -2.897 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.155 1.443 -3.185 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.640 2.111 -1.608 1.00 0.00 H new ATOM 359 N TYR A 25 7.030 3.653 -2.558 1.00 0.00 N ATOM 360 CA TYR A 25 7.413 4.834 -1.793 1.00 0.00 C ATOM 361 C TYR A 25 6.210 5.743 -1.557 1.00 0.00 C ATOM 362 O TYR A 25 5.461 6.054 -2.483 1.00 0.00 O ATOM 363 CB TYR A 25 8.514 5.605 -2.522 1.00 0.00 C ATOM 364 CG TYR A 25 8.720 7.008 -1.997 1.00 0.00 C ATOM 365 CD1 TYR A 25 7.829 8.027 -2.312 1.00 0.00 C ATOM 366 CD2 TYR A 25 9.805 7.315 -1.185 1.00 0.00 C ATOM 367 CE1 TYR A 25 8.014 9.310 -1.836 1.00 0.00 C ATOM 368 CE2 TYR A 25 9.997 8.595 -0.703 1.00 0.00 C ATOM 369 CZ TYR A 25 9.099 9.589 -1.031 1.00 0.00 C ATOM 370 OH TYR A 25 9.286 10.866 -0.553 1.00 0.00 O ATOM 0 H TYR A 25 6.978 3.802 -3.566 1.00 0.00 H new ATOM 0 HA TYR A 25 7.791 4.503 -0.826 1.00 0.00 H new ATOM 0 HB2 TYR A 25 9.450 5.053 -2.437 1.00 0.00 H new ATOM 0 HB3 TYR A 25 8.269 5.655 -3.583 1.00 0.00 H new ATOM 0 HD1 TYR A 25 6.977 7.812 -2.940 1.00 0.00 H new ATOM 0 HD2 TYR A 25 10.510 6.539 -0.926 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.313 10.091 -2.093 1.00 0.00 H new ATOM 0 HE2 TYR A 25 10.846 8.816 -0.073 1.00 0.00 H new ATOM 0 HH TYR A 25 10.095 10.893 -0.001 1.00 0.00 H new ATOM 380 N PHE A 26 6.034 6.167 -0.310 1.00 0.00 N ATOM 381 CA PHE A 26 4.923 7.041 0.050 1.00 0.00 C ATOM 382 C PHE A 26 5.383 8.142 1.002 1.00 0.00 C ATOM 383 O PHE A 26 6.459 8.055 1.593 1.00 0.00 O ATOM 384 CB PHE A 26 3.797 6.230 0.696 1.00 0.00 C ATOM 385 CG PHE A 26 4.289 5.154 1.622 1.00 0.00 C ATOM 386 CD1 PHE A 26 4.743 3.945 1.121 1.00 0.00 C ATOM 387 CD2 PHE A 26 4.296 5.352 2.994 1.00 0.00 C ATOM 388 CE1 PHE A 26 5.197 2.953 1.971 1.00 0.00 C ATOM 389 CE2 PHE A 26 4.749 4.364 3.848 1.00 0.00 C ATOM 390 CZ PHE A 26 5.198 3.163 3.336 1.00 0.00 C ATOM 0 H PHE A 26 6.646 5.920 0.468 1.00 0.00 H new ATOM 0 HA PHE A 26 4.549 7.506 -0.862 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.145 6.905 1.250 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.192 5.775 -0.088 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.742 3.775 0.054 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.944 6.289 3.400 1.00 0.00 H new ATOM 0 HE1 PHE A 26 5.550 2.015 1.568 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.752 4.531 4.915 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.550 2.389 4.002 1.00 0.00 H new ATOM 400 N GLU A 27 4.560 9.176 1.143 1.00 0.00 N ATOM 401 CA GLU A 27 4.883 10.294 2.021 1.00 0.00 C ATOM 402 C GLU A 27 3.904 10.369 3.189 1.00 0.00 C ATOM 403 O GLU A 27 2.777 9.884 3.099 1.00 0.00 O ATOM 404 CB GLU A 27 4.861 11.609 1.238 1.00 0.00 C ATOM 405 CG GLU A 27 6.157 11.899 0.499 1.00 0.00 C ATOM 406 CD GLU A 27 6.294 13.358 0.113 1.00 0.00 C ATOM 407 OE1 GLU A 27 5.641 13.777 -0.866 1.00 0.00 O ATOM 408 OE2 GLU A 27 7.055 14.082 0.789 1.00 0.00 O ATOM 0 H GLU A 27 3.665 9.263 0.661 1.00 0.00 H new ATOM 0 HA GLU A 27 5.885 10.133 2.419 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.042 11.581 0.520 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.654 12.428 1.926 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.001 11.612 1.127 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.204 11.283 -0.399 1.00 0.00 H new ATOM 415 N GLU A 28 4.345 10.980 4.285 1.00 0.00 N ATOM 416 CA GLU A 28 3.508 11.116 5.471 1.00 0.00 C ATOM 417 C GLU A 28 2.132 11.664 5.106 1.00 0.00 C ATOM 418 O GLU A 28 2.013 12.760 4.560 1.00 0.00 O ATOM 419 CB GLU A 28 4.181 12.036 6.493 1.00 0.00 C ATOM 420 CG GLU A 28 3.307 12.351 7.696 1.00 0.00 C ATOM 421 CD GLU A 28 3.962 13.328 8.652 1.00 0.00 C ATOM 422 OE1 GLU A 28 4.829 12.896 9.440 1.00 0.00 O ATOM 423 OE2 GLU A 28 3.607 14.525 8.614 1.00 0.00 O ATOM 0 H GLU A 28 5.276 11.388 4.376 1.00 0.00 H new ATOM 0 HA GLU A 28 3.381 10.127 5.911 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.104 11.569 6.837 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.459 12.969 6.002 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.358 12.764 7.353 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.079 11.427 8.227 1.00 0.00 H new ATOM 430 N GLY A 29 1.094 10.892 5.412 1.00 0.00 N ATOM 431 CA GLY A 29 -0.261 11.315 5.108 1.00 0.00 C ATOM 432 C GLY A 29 -0.646 11.039 3.668 1.00 0.00 C ATOM 433 O GLY A 29 -1.099 11.936 2.957 1.00 0.00 O ATOM 0 H GLY A 29 1.167 9.981 5.865 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.956 10.801 5.772 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.359 12.382 5.309 1.00 0.00 H new ATOM 437 N ASP A 30 -0.463 9.797 3.236 1.00 0.00 N ATOM 438 CA ASP A 30 -0.793 9.405 1.871 1.00 0.00 C ATOM 439 C ASP A 30 -1.710 8.186 1.862 1.00 0.00 C ATOM 440 O ASP A 30 -1.400 7.160 2.467 1.00 0.00 O ATOM 441 CB ASP A 30 0.482 9.106 1.081 1.00 0.00 C ATOM 442 CG ASP A 30 1.048 10.339 0.405 1.00 0.00 C ATOM 443 OD1 ASP A 30 1.264 11.352 1.103 1.00 0.00 O ATOM 444 OD2 ASP A 30 1.275 10.292 -0.822 1.00 0.00 O ATOM 0 H ASP A 30 -0.088 9.043 3.812 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.318 10.235 1.398 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.232 8.687 1.752 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.269 8.348 0.327 1.00 0.00 H new ATOM 449 N ILE A 31 -2.840 8.308 1.173 1.00 0.00 N ATOM 450 CA ILE A 31 -3.802 7.216 1.085 1.00 0.00 C ATOM 451 C ILE A 31 -3.204 6.014 0.362 1.00 0.00 C ATOM 452 O ILE A 31 -2.487 6.165 -0.628 1.00 0.00 O ATOM 453 CB ILE A 31 -5.086 7.653 0.356 1.00 0.00 C ATOM 454 CG1 ILE A 31 -5.665 8.910 1.008 1.00 0.00 C ATOM 455 CG2 ILE A 31 -6.109 6.527 0.363 1.00 0.00 C ATOM 456 CD1 ILE A 31 -6.011 8.728 2.470 1.00 0.00 C ATOM 0 H ILE A 31 -3.112 9.152 0.668 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.053 6.934 2.107 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.837 7.885 -0.680 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.946 9.724 0.912 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.561 9.211 0.466 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -7.011 6.852 -0.156 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.694 5.655 -0.142 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.356 6.267 1.392 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.416 9.659 2.867 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.753 7.937 2.572 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.113 8.457 3.025 1.00 0.00 H new ATOM 468 N ILE A 32 -3.506 4.820 0.861 1.00 0.00 N ATOM 469 CA ILE A 32 -3.002 3.591 0.260 1.00 0.00 C ATOM 470 C ILE A 32 -4.084 2.518 0.212 1.00 0.00 C ATOM 471 O ILE A 32 -4.901 2.405 1.126 1.00 0.00 O ATOM 472 CB ILE A 32 -1.786 3.045 1.032 1.00 0.00 C ATOM 473 CG1 ILE A 32 -0.785 4.168 1.312 1.00 0.00 C ATOM 474 CG2 ILE A 32 -1.124 1.920 0.251 1.00 0.00 C ATOM 475 CD1 ILE A 32 0.211 3.832 2.400 1.00 0.00 C ATOM 0 H ILE A 32 -4.097 4.678 1.680 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.696 3.839 -0.756 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.130 2.645 1.986 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.244 4.399 0.394 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.331 5.068 1.595 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.267 1.545 0.810 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.840 1.112 0.099 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.791 2.296 -0.716 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.889 4.673 2.545 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.320 3.630 3.330 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.783 2.951 2.110 1.00 0.00 H new ATOM 487 N TYR A 33 -4.081 1.731 -0.858 1.00 0.00 N ATOM 488 CA TYR A 33 -5.063 0.666 -1.026 1.00 0.00 C ATOM 489 C TYR A 33 -4.438 -0.699 -0.757 1.00 0.00 C ATOM 490 O TYR A 33 -3.632 -1.191 -1.548 1.00 0.00 O ATOM 491 CB TYR A 33 -5.649 0.702 -2.438 1.00 0.00 C ATOM 492 CG TYR A 33 -6.888 1.560 -2.558 1.00 0.00 C ATOM 493 CD1 TYR A 33 -6.792 2.926 -2.795 1.00 0.00 C ATOM 494 CD2 TYR A 33 -8.156 1.005 -2.436 1.00 0.00 C ATOM 495 CE1 TYR A 33 -7.921 3.714 -2.905 1.00 0.00 C ATOM 496 CE2 TYR A 33 -9.291 1.785 -2.545 1.00 0.00 C ATOM 497 CZ TYR A 33 -9.169 3.138 -2.779 1.00 0.00 C ATOM 498 OH TYR A 33 -10.296 3.919 -2.889 1.00 0.00 O ATOM 0 H TYR A 33 -3.410 1.810 -1.622 1.00 0.00 H new ATOM 0 HA TYR A 33 -5.863 0.827 -0.304 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -4.891 1.075 -3.127 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -5.890 -0.315 -2.748 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -5.817 3.380 -2.895 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -8.256 -0.055 -2.253 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -7.828 4.774 -3.088 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -10.269 1.337 -2.447 1.00 0.00 H new ATOM 0 HH TYR A 33 -11.093 3.360 -2.777 1.00 0.00 H new ATOM 508 N ILE A 34 -4.815 -1.305 0.363 1.00 0.00 N ATOM 509 CA ILE A 34 -4.294 -2.614 0.736 1.00 0.00 C ATOM 510 C ILE A 34 -5.337 -3.704 0.518 1.00 0.00 C ATOM 511 O ILE A 34 -6.318 -3.798 1.258 1.00 0.00 O ATOM 512 CB ILE A 34 -3.839 -2.641 2.207 1.00 0.00 C ATOM 513 CG1 ILE A 34 -2.865 -1.494 2.483 1.00 0.00 C ATOM 514 CG2 ILE A 34 -3.196 -3.979 2.539 1.00 0.00 C ATOM 515 CD1 ILE A 34 -1.492 -1.710 1.887 1.00 0.00 C ATOM 0 H ILE A 34 -5.480 -0.910 1.028 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.434 -2.805 0.095 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.714 -2.512 2.844 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.283 -0.569 2.085 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.768 -1.362 3.561 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.880 -3.982 3.582 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.917 -4.780 2.376 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.329 -4.135 1.897 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.855 -0.857 2.122 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.053 -2.617 2.303 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.577 -1.812 0.805 1.00 0.00 H new ATOM 527 N THR A 35 -5.120 -4.530 -0.501 1.00 0.00 N ATOM 528 CA THR A 35 -6.040 -5.615 -0.816 1.00 0.00 C ATOM 529 C THR A 35 -5.417 -6.972 -0.508 1.00 0.00 C ATOM 530 O THR A 35 -6.124 -7.942 -0.236 1.00 0.00 O ATOM 531 CB THR A 35 -6.463 -5.581 -2.296 1.00 0.00 C ATOM 532 OG1 THR A 35 -5.333 -5.843 -3.135 1.00 0.00 O ATOM 533 CG2 THR A 35 -7.066 -4.231 -2.656 1.00 0.00 C ATOM 0 H THR A 35 -4.314 -4.468 -1.123 1.00 0.00 H new ATOM 0 HA THR A 35 -6.921 -5.473 -0.191 1.00 0.00 H new ATOM 0 HB THR A 35 -7.218 -6.352 -2.453 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.093 -6.791 -3.074 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.357 -4.231 -3.706 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.944 -4.048 -2.036 1.00 0.00 H new ATOM 0 HG23 THR A 35 -6.330 -3.446 -2.484 1.00 0.00 H new ATOM 541 N ASP A 36 -4.091 -7.032 -0.553 1.00 0.00 N ATOM 542 CA ASP A 36 -3.372 -8.271 -0.277 1.00 0.00 C ATOM 543 C ASP A 36 -2.651 -8.193 1.065 1.00 0.00 C ATOM 544 O ASP A 36 -1.735 -7.392 1.243 1.00 0.00 O ATOM 545 CB ASP A 36 -2.368 -8.562 -1.393 1.00 0.00 C ATOM 546 CG ASP A 36 -3.044 -8.858 -2.718 1.00 0.00 C ATOM 547 OD1 ASP A 36 -4.192 -8.405 -2.913 1.00 0.00 O ATOM 548 OD2 ASP A 36 -2.426 -9.542 -3.559 1.00 0.00 O ATOM 0 H ASP A 36 -3.492 -6.238 -0.778 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.099 -9.082 -0.232 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -1.703 -7.707 -1.511 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.748 -9.411 -1.107 1.00 0.00 H new ATOM 553 N MET A 37 -3.073 -9.031 2.007 1.00 0.00 N ATOM 554 CA MET A 37 -2.467 -9.057 3.333 1.00 0.00 C ATOM 555 C MET A 37 -1.957 -10.454 3.670 1.00 0.00 C ATOM 556 O MET A 37 -2.093 -10.918 4.802 1.00 0.00 O ATOM 557 CB MET A 37 -3.478 -8.602 4.388 1.00 0.00 C ATOM 558 CG MET A 37 -3.642 -7.092 4.461 1.00 0.00 C ATOM 559 SD MET A 37 -5.004 -6.593 5.531 1.00 0.00 S ATOM 560 CE MET A 37 -4.760 -4.819 5.584 1.00 0.00 C ATOM 0 H MET A 37 -3.832 -9.700 1.876 1.00 0.00 H new ATOM 0 HA MET A 37 -1.620 -8.371 3.332 1.00 0.00 H new ATOM 0 HB2 MET A 37 -4.446 -9.054 4.171 1.00 0.00 H new ATOM 0 HB3 MET A 37 -3.164 -8.973 5.364 1.00 0.00 H new ATOM 0 HG2 MET A 37 -2.716 -6.647 4.826 1.00 0.00 H new ATOM 0 HG3 MET A 37 -3.810 -6.700 3.458 1.00 0.00 H new ATOM 0 HE1 MET A 37 -5.315 -4.400 6.424 1.00 0.00 H new ATOM 0 HE2 MET A 37 -3.699 -4.601 5.705 1.00 0.00 H new ATOM 0 HE3 MET A 37 -5.118 -4.375 4.655 1.00 0.00 H new ATOM 570 N SER A 38 -1.371 -11.120 2.681 1.00 0.00 N ATOM 571 CA SER A 38 -0.844 -12.466 2.872 1.00 0.00 C ATOM 572 C SER A 38 0.391 -12.444 3.768 1.00 0.00 C ATOM 573 O SER A 38 0.660 -13.400 4.496 1.00 0.00 O ATOM 574 CB SER A 38 -0.497 -13.098 1.522 1.00 0.00 C ATOM 575 OG SER A 38 -1.606 -13.799 0.987 1.00 0.00 O ATOM 0 H SER A 38 -1.249 -10.749 1.739 1.00 0.00 H new ATOM 0 HA SER A 38 -1.614 -13.065 3.358 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.182 -12.322 0.824 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.345 -13.780 1.642 1.00 0.00 H new ATOM 0 HG SER A 38 -1.359 -14.192 0.124 1.00 0.00 H new ATOM 581 N ASP A 39 1.137 -11.347 3.710 1.00 0.00 N ATOM 582 CA ASP A 39 2.342 -11.198 4.516 1.00 0.00 C ATOM 583 C ASP A 39 2.233 -9.990 5.440 1.00 0.00 C ATOM 584 O ASP A 39 2.610 -8.876 5.073 1.00 0.00 O ATOM 585 CB ASP A 39 3.570 -11.057 3.615 1.00 0.00 C ATOM 586 CG ASP A 39 3.978 -12.373 2.982 1.00 0.00 C ATOM 587 OD1 ASP A 39 4.141 -13.364 3.725 1.00 0.00 O ATOM 588 OD2 ASP A 39 4.133 -12.412 1.744 1.00 0.00 O ATOM 0 H ASP A 39 0.928 -10.547 3.113 1.00 0.00 H new ATOM 0 HA ASP A 39 2.451 -12.093 5.129 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.360 -10.330 2.831 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.402 -10.665 4.199 1.00 0.00 H new ATOM 593 N THR A 40 1.712 -10.215 6.643 1.00 0.00 N ATOM 594 CA THR A 40 1.550 -9.145 7.619 1.00 0.00 C ATOM 595 C THR A 40 2.794 -8.267 7.683 1.00 0.00 C ATOM 596 O THR A 40 2.719 -7.095 8.049 1.00 0.00 O ATOM 597 CB THR A 40 1.257 -9.705 9.023 1.00 0.00 C ATOM 598 OG1 THR A 40 0.231 -10.702 8.949 1.00 0.00 O ATOM 599 CG2 THR A 40 0.825 -8.595 9.970 1.00 0.00 C ATOM 0 H THR A 40 1.395 -11.130 6.964 1.00 0.00 H new ATOM 0 HA THR A 40 0.701 -8.544 7.292 1.00 0.00 H new ATOM 0 HB THR A 40 2.172 -10.154 9.409 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.052 -11.054 9.846 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.624 -9.015 10.955 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.620 -7.853 10.047 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.078 -8.121 9.586 1.00 0.00 H new ATOM 607 N ASN A 41 3.938 -8.842 7.326 1.00 0.00 N ATOM 608 CA ASN A 41 5.199 -8.111 7.343 1.00 0.00 C ATOM 609 C ASN A 41 5.330 -7.222 6.110 1.00 0.00 C ATOM 610 O ASN A 41 5.778 -6.079 6.201 1.00 0.00 O ATOM 611 CB ASN A 41 6.377 -9.085 7.411 1.00 0.00 C ATOM 612 CG ASN A 41 6.215 -10.112 8.515 1.00 0.00 C ATOM 613 OD1 ASN A 41 5.480 -11.089 8.366 1.00 0.00 O ATOM 614 ND2 ASN A 41 6.902 -9.895 9.630 1.00 0.00 N ATOM 0 H ASN A 41 4.017 -9.812 7.021 1.00 0.00 H new ATOM 0 HA ASN A 41 5.210 -7.476 8.229 1.00 0.00 H new ATOM 0 HB2 ASN A 41 6.477 -9.597 6.454 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.299 -8.526 7.571 1.00 0.00 H new ATOM 0 HD21 ASN A 41 6.833 -10.552 10.408 1.00 0.00 H new ATOM 0 HD22 ASN A 41 7.499 -9.072 9.709 1.00 0.00 H new ATOM 621 N TRP A 42 4.936 -7.755 4.959 1.00 0.00 N ATOM 622 CA TRP A 42 5.009 -7.011 3.707 1.00 0.00 C ATOM 623 C TRP A 42 3.670 -7.037 2.979 1.00 0.00 C ATOM 624 O TRP A 42 3.288 -8.055 2.401 1.00 0.00 O ATOM 625 CB TRP A 42 6.103 -7.589 2.809 1.00 0.00 C ATOM 626 CG TRP A 42 7.480 -7.123 3.175 1.00 0.00 C ATOM 627 CD1 TRP A 42 8.522 -7.899 3.597 1.00 0.00 C ATOM 628 CD2 TRP A 42 7.963 -5.776 3.153 1.00 0.00 C ATOM 629 NE1 TRP A 42 9.624 -7.114 3.840 1.00 0.00 N ATOM 630 CE2 TRP A 42 9.307 -5.808 3.574 1.00 0.00 C ATOM 631 CE3 TRP A 42 7.392 -4.545 2.818 1.00 0.00 C ATOM 632 CZ2 TRP A 42 10.085 -4.657 3.668 1.00 0.00 C ATOM 633 CZ3 TRP A 42 8.166 -3.404 2.912 1.00 0.00 C ATOM 634 CH2 TRP A 42 9.501 -3.466 3.333 1.00 0.00 C ATOM 0 H TRP A 42 4.563 -8.700 4.867 1.00 0.00 H new ATOM 0 HA TRP A 42 5.253 -5.975 3.943 1.00 0.00 H new ATOM 0 HB2 TRP A 42 6.069 -8.677 2.862 1.00 0.00 H new ATOM 0 HB3 TRP A 42 5.897 -7.314 1.775 1.00 0.00 H new ATOM 0 HD1 TRP A 42 8.485 -8.971 3.721 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.531 -7.449 4.166 1.00 0.00 H new ATOM 0 HE3 TRP A 42 6.364 -4.487 2.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 11.114 -4.703 3.994 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 7.734 -2.448 2.656 1.00 0.00 H new ATOM 0 HH2 TRP A 42 10.080 -2.556 3.394 1.00 0.00 H new ATOM 645 N TRP A 43 2.961 -5.915 3.012 1.00 0.00 N ATOM 646 CA TRP A 43 1.663 -5.811 2.354 1.00 0.00 C ATOM 647 C TRP A 43 1.821 -5.360 0.907 1.00 0.00 C ATOM 648 O TRP A 43 2.884 -4.885 0.506 1.00 0.00 O ATOM 649 CB TRP A 43 0.762 -4.833 3.111 1.00 0.00 C ATOM 650 CG TRP A 43 0.145 -5.425 4.342 1.00 0.00 C ATOM 651 CD1 TRP A 43 0.079 -6.749 4.670 1.00 0.00 C ATOM 652 CD2 TRP A 43 -0.493 -4.713 5.407 1.00 0.00 C ATOM 653 NE1 TRP A 43 -0.562 -6.903 5.876 1.00 0.00 N ATOM 654 CE2 TRP A 43 -0.923 -5.669 6.349 1.00 0.00 C ATOM 655 CE3 TRP A 43 -0.743 -3.361 5.659 1.00 0.00 C ATOM 656 CZ2 TRP A 43 -1.588 -5.314 7.519 1.00 0.00 C ATOM 657 CZ3 TRP A 43 -1.403 -3.011 6.821 1.00 0.00 C ATOM 658 CH2 TRP A 43 -1.819 -3.984 7.740 1.00 0.00 C ATOM 0 H TRP A 43 3.262 -5.064 3.487 1.00 0.00 H new ATOM 0 HA TRP A 43 1.201 -6.798 2.358 1.00 0.00 H new ATOM 0 HB2 TRP A 43 1.345 -3.956 3.391 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -0.030 -4.490 2.445 1.00 0.00 H new ATOM 0 HD1 TRP A 43 0.473 -7.556 4.070 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.740 -7.792 6.343 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.426 -2.603 4.958 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -1.910 -6.063 8.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.602 -1.969 7.025 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -2.332 -3.678 8.640 1.00 0.00 H new ATOM 669 N LYS A 44 0.758 -5.510 0.125 1.00 0.00 N ATOM 670 CA LYS A 44 0.777 -5.117 -1.279 1.00 0.00 C ATOM 671 C LYS A 44 -0.406 -4.212 -1.607 1.00 0.00 C ATOM 672 O LYS A 44 -1.555 -4.652 -1.609 1.00 0.00 O ATOM 673 CB LYS A 44 0.750 -6.355 -2.177 1.00 0.00 C ATOM 674 CG LYS A 44 1.460 -6.159 -3.506 1.00 0.00 C ATOM 675 CD LYS A 44 0.527 -5.578 -4.555 1.00 0.00 C ATOM 676 CE LYS A 44 -0.420 -6.634 -5.105 1.00 0.00 C ATOM 677 NZ LYS A 44 -1.390 -6.057 -6.077 1.00 0.00 N ATOM 0 H LYS A 44 -0.129 -5.902 0.440 1.00 0.00 H new ATOM 0 HA LYS A 44 1.697 -4.563 -1.463 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.212 -7.188 -1.647 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.287 -6.634 -2.366 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.314 -5.495 -3.369 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.852 -7.114 -3.855 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.050 -4.762 -4.119 1.00 0.00 H new ATOM 0 HD3 LYS A 44 1.113 -5.154 -5.370 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.157 -7.421 -5.591 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.963 -7.099 -4.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.017 -6.808 -6.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.958 -5.323 -5.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.873 -5.636 -6.875 1.00 0.00 H new ATOM 691 N GLY A 45 -0.117 -2.944 -1.886 1.00 0.00 N ATOM 692 CA GLY A 45 -1.168 -1.999 -2.213 1.00 0.00 C ATOM 693 C GLY A 45 -0.726 -0.973 -3.238 1.00 0.00 C ATOM 694 O GLY A 45 0.417 -0.994 -3.697 1.00 0.00 O ATOM 0 H GLY A 45 0.826 -2.555 -1.891 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.033 -2.540 -2.595 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.488 -1.487 -1.305 1.00 0.00 H new ATOM 698 N THR A 46 -1.634 -0.073 -3.602 1.00 0.00 N ATOM 699 CA THR A 46 -1.334 0.964 -4.582 1.00 0.00 C ATOM 700 C THR A 46 -1.756 2.338 -4.075 1.00 0.00 C ATOM 701 O THR A 46 -2.912 2.547 -3.708 1.00 0.00 O ATOM 702 CB THR A 46 -2.034 0.687 -5.925 1.00 0.00 C ATOM 703 OG1 THR A 46 -1.273 -0.255 -6.690 1.00 0.00 O ATOM 704 CG2 THR A 46 -2.207 1.972 -6.720 1.00 0.00 C ATOM 0 H THR A 46 -2.584 -0.041 -3.233 1.00 0.00 H new ATOM 0 HA THR A 46 -0.255 0.952 -4.735 1.00 0.00 H new ATOM 0 HB THR A 46 -3.020 0.272 -5.716 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.485 0.190 -7.066 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.704 1.751 -7.665 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.812 2.675 -6.148 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.229 2.412 -6.918 1.00 0.00 H new ATOM 712 N SER A 47 -0.811 3.273 -4.058 1.00 0.00 N ATOM 713 CA SER A 47 -1.084 4.628 -3.593 1.00 0.00 C ATOM 714 C SER A 47 -1.039 5.619 -4.752 1.00 0.00 C ATOM 715 O SER A 47 -2.076 6.067 -5.243 1.00 0.00 O ATOM 716 CB SER A 47 -0.074 5.035 -2.519 1.00 0.00 C ATOM 717 OG SER A 47 -0.200 6.409 -2.195 1.00 0.00 O ATOM 0 H SER A 47 0.150 3.117 -4.361 1.00 0.00 H new ATOM 0 HA SER A 47 -2.086 4.643 -3.163 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.227 4.432 -1.624 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.937 4.832 -2.871 1.00 0.00 H new ATOM 0 HG SER A 47 -0.985 6.540 -1.623 1.00 0.00 H new ATOM 723 N LYS A 48 0.171 5.958 -5.185 1.00 0.00 N ATOM 724 CA LYS A 48 0.354 6.895 -6.287 1.00 0.00 C ATOM 725 C LYS A 48 0.622 6.154 -7.593 1.00 0.00 C ATOM 726 O LYS A 48 1.747 5.736 -7.862 1.00 0.00 O ATOM 727 CB LYS A 48 1.511 7.850 -5.984 1.00 0.00 C ATOM 728 CG LYS A 48 1.112 9.036 -5.124 1.00 0.00 C ATOM 729 CD LYS A 48 2.328 9.804 -4.633 1.00 0.00 C ATOM 730 CE LYS A 48 2.960 10.620 -5.749 1.00 0.00 C ATOM 731 NZ LYS A 48 4.266 11.205 -5.337 1.00 0.00 N ATOM 0 H LYS A 48 1.039 5.598 -4.789 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.565 7.470 -6.398 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.304 7.298 -5.481 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.924 8.216 -6.924 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.467 9.702 -5.698 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.531 8.688 -4.270 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.037 10.466 -3.817 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.062 9.106 -4.231 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.106 9.987 -6.624 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.281 11.420 -6.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.665 11.754 -6.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.124 11.829 -4.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.923 10.441 -5.080 1.00 0.00 H new ATOM 745 N GLY A 49 -0.421 5.996 -8.403 1.00 0.00 N ATOM 746 CA GLY A 49 -0.277 5.306 -9.672 1.00 0.00 C ATOM 747 C GLY A 49 0.845 4.286 -9.653 1.00 0.00 C ATOM 748 O GLY A 49 1.612 4.180 -10.610 1.00 0.00 O ATOM 0 H GLY A 49 -1.363 6.333 -8.203 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.214 4.807 -9.919 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.087 6.036 -10.459 1.00 0.00 H new ATOM 752 N ARG A 50 0.941 3.535 -8.561 1.00 0.00 N ATOM 753 CA ARG A 50 1.979 2.520 -8.421 1.00 0.00 C ATOM 754 C ARG A 50 1.480 1.344 -7.587 1.00 0.00 C ATOM 755 O ARG A 50 0.533 1.476 -6.811 1.00 0.00 O ATOM 756 CB ARG A 50 3.227 3.124 -7.775 1.00 0.00 C ATOM 757 CG ARG A 50 3.945 4.130 -8.659 1.00 0.00 C ATOM 758 CD ARG A 50 4.822 5.065 -7.841 1.00 0.00 C ATOM 759 NE ARG A 50 5.925 4.356 -7.198 1.00 0.00 N ATOM 760 CZ ARG A 50 6.998 4.962 -6.701 1.00 0.00 C ATOM 761 NH1 ARG A 50 7.111 6.281 -6.773 1.00 0.00 N ATOM 762 NH2 ARG A 50 7.960 4.249 -6.130 1.00 0.00 N ATOM 0 H ARG A 50 0.313 3.610 -7.761 1.00 0.00 H new ATOM 0 HA ARG A 50 2.233 2.155 -9.416 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.943 3.611 -6.842 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.918 2.321 -7.518 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.557 3.602 -9.390 1.00 0.00 H new ATOM 0 HG3 ARG A 50 3.213 4.713 -9.218 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.221 5.846 -8.488 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.216 5.559 -7.081 1.00 0.00 H new ATOM 0 HE ARG A 50 5.869 3.340 -7.127 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.373 6.833 -7.211 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.936 6.744 -6.391 1.00 0.00 H new ATOM 0 HH21 ARG A 50 7.877 3.234 -6.072 1.00 0.00 H new ATOM 0 HH22 ARG A 50 8.783 4.716 -5.749 1.00 0.00 H new ATOM 776 N THR A 51 2.123 0.192 -7.753 1.00 0.00 N ATOM 777 CA THR A 51 1.744 -1.008 -7.018 1.00 0.00 C ATOM 778 C THR A 51 2.974 -1.779 -6.553 1.00 0.00 C ATOM 779 O THR A 51 3.660 -2.414 -7.353 1.00 0.00 O ATOM 780 CB THR A 51 0.863 -1.937 -7.874 1.00 0.00 C ATOM 781 OG1 THR A 51 -0.045 -1.160 -8.664 1.00 0.00 O ATOM 782 CG2 THR A 51 0.082 -2.903 -6.997 1.00 0.00 C ATOM 0 H THR A 51 2.909 0.065 -8.390 1.00 0.00 H new ATOM 0 HA THR A 51 1.174 -0.679 -6.149 1.00 0.00 H new ATOM 0 HB THR A 51 1.514 -2.514 -8.531 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.880 -1.028 -8.168 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.533 -3.548 -7.624 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.777 -3.513 -6.420 1.00 0.00 H new ATOM 0 HG23 THR A 51 -0.559 -2.341 -6.317 1.00 0.00 H new ATOM 790 N GLY A 52 3.248 -1.720 -5.253 1.00 0.00 N ATOM 791 CA GLY A 52 4.395 -2.418 -4.704 1.00 0.00 C ATOM 792 C GLY A 52 4.191 -2.822 -3.257 1.00 0.00 C ATOM 793 O GLY A 52 3.094 -2.679 -2.714 1.00 0.00 O ATOM 0 H GLY A 52 2.696 -1.201 -4.571 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.595 -3.307 -5.301 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.275 -1.779 -4.779 1.00 0.00 H new ATOM 797 N LEU A 53 5.247 -3.329 -2.631 1.00 0.00 N ATOM 798 CA LEU A 53 5.178 -3.757 -1.238 1.00 0.00 C ATOM 799 C LEU A 53 5.159 -2.555 -0.300 1.00 0.00 C ATOM 800 O LEU A 53 5.778 -1.527 -0.578 1.00 0.00 O ATOM 801 CB LEU A 53 6.366 -4.661 -0.903 1.00 0.00 C ATOM 802 CG LEU A 53 6.281 -6.099 -1.417 1.00 0.00 C ATOM 803 CD1 LEU A 53 7.456 -6.918 -0.907 1.00 0.00 C ATOM 804 CD2 LEU A 53 4.964 -6.737 -1.002 1.00 0.00 C ATOM 0 H LEU A 53 6.161 -3.454 -3.066 1.00 0.00 H new ATOM 0 HA LEU A 53 4.253 -4.317 -1.100 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.270 -4.205 -1.307 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.481 -4.690 0.181 1.00 0.00 H new ATOM 0 HG LEU A 53 6.324 -6.078 -2.506 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.379 -7.938 -1.283 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.388 -6.473 -1.255 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.445 -6.931 0.183 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.921 -7.760 -1.376 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.891 -6.745 0.085 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.135 -6.164 -1.417 1.00 0.00 H new ATOM 816 N ILE A 54 4.446 -2.691 0.813 1.00 0.00 N ATOM 817 CA ILE A 54 4.349 -1.618 1.794 1.00 0.00 C ATOM 818 C ILE A 54 4.489 -2.156 3.214 1.00 0.00 C ATOM 819 O ILE A 54 3.910 -3.180 3.577 1.00 0.00 O ATOM 820 CB ILE A 54 3.012 -0.863 1.673 1.00 0.00 C ATOM 821 CG1 ILE A 54 2.708 -0.552 0.206 1.00 0.00 C ATOM 822 CG2 ILE A 54 3.049 0.416 2.495 1.00 0.00 C ATOM 823 CD1 ILE A 54 1.267 -0.165 -0.043 1.00 0.00 C ATOM 0 H ILE A 54 3.927 -3.534 1.058 1.00 0.00 H new ATOM 0 HA ILE A 54 5.167 -0.928 1.587 1.00 0.00 H new ATOM 0 HB ILE A 54 2.217 -1.498 2.063 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.356 0.258 -0.127 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.951 -1.425 -0.400 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.097 0.938 2.399 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.224 0.170 3.542 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.853 1.058 2.134 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.124 0.041 -1.104 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.613 -0.983 0.259 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.024 0.726 0.536 1.00 0.00 H new ATOM 835 N PRO A 55 5.276 -1.449 4.040 1.00 0.00 N ATOM 836 CA PRO A 55 5.509 -1.836 5.435 1.00 0.00 C ATOM 837 C PRO A 55 4.268 -1.653 6.302 1.00 0.00 C ATOM 838 O PRO A 55 3.739 -0.548 6.420 1.00 0.00 O ATOM 839 CB PRO A 55 6.621 -0.885 5.885 1.00 0.00 C ATOM 840 CG PRO A 55 6.484 0.305 4.998 1.00 0.00 C ATOM 841 CD PRO A 55 5.998 -0.219 3.675 1.00 0.00 C ATOM 0 HA PRO A 55 5.767 -2.891 5.528 1.00 0.00 H new ATOM 0 HB2 PRO A 55 6.508 -0.612 6.934 1.00 0.00 H new ATOM 0 HB3 PRO A 55 7.603 -1.346 5.780 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.779 1.024 5.416 1.00 0.00 H new ATOM 0 HG3 PRO A 55 7.438 0.821 4.887 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.346 0.496 3.175 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.825 -0.425 2.996 1.00 0.00 H new ATOM 849 N SER A 56 3.809 -2.744 6.907 1.00 0.00 N ATOM 850 CA SER A 56 2.628 -2.705 7.761 1.00 0.00 C ATOM 851 C SER A 56 2.937 -2.009 9.083 1.00 0.00 C ATOM 852 O SER A 56 2.067 -1.869 9.941 1.00 0.00 O ATOM 853 CB SER A 56 2.116 -4.122 8.025 1.00 0.00 C ATOM 854 OG SER A 56 2.868 -4.754 9.046 1.00 0.00 O ATOM 0 H SER A 56 4.237 -3.666 6.821 1.00 0.00 H new ATOM 0 HA SER A 56 1.854 -2.138 7.244 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.065 -4.085 8.313 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.175 -4.710 7.109 1.00 0.00 H new ATOM 0 HG SER A 56 3.197 -5.619 8.722 1.00 0.00 H new ATOM 860 N ASN A 57 4.183 -1.574 9.239 1.00 0.00 N ATOM 861 CA ASN A 57 4.608 -0.892 10.456 1.00 0.00 C ATOM 862 C ASN A 57 4.404 0.615 10.336 1.00 0.00 C ATOM 863 O ASN A 57 4.078 1.288 11.314 1.00 0.00 O ATOM 864 CB ASN A 57 6.079 -1.197 10.748 1.00 0.00 C ATOM 865 CG ASN A 57 6.433 -2.647 10.481 1.00 0.00 C ATOM 866 OD1 ASN A 57 5.871 -3.558 11.091 1.00 0.00 O ATOM 867 ND2 ASN A 57 7.369 -2.868 9.566 1.00 0.00 N ATOM 0 H ASN A 57 4.916 -1.682 8.538 1.00 0.00 H new ATOM 0 HA ASN A 57 3.996 -1.258 11.280 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.709 -0.553 10.135 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.297 -0.958 11.789 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.649 -3.823 9.344 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.808 -2.083 9.085 1.00 0.00 H new ATOM 874 N TYR A 58 4.597 1.138 9.130 1.00 0.00 N ATOM 875 CA TYR A 58 4.436 2.566 8.882 1.00 0.00 C ATOM 876 C TYR A 58 2.966 2.921 8.679 1.00 0.00 C ATOM 877 O TYR A 58 2.503 3.973 9.119 1.00 0.00 O ATOM 878 CB TYR A 58 5.247 2.986 7.655 1.00 0.00 C ATOM 879 CG TYR A 58 6.685 3.334 7.970 1.00 0.00 C ATOM 880 CD1 TYR A 58 7.659 2.346 8.046 1.00 0.00 C ATOM 881 CD2 TYR A 58 7.068 4.651 8.192 1.00 0.00 C ATOM 882 CE1 TYR A 58 8.973 2.660 8.334 1.00 0.00 C ATOM 883 CE2 TYR A 58 8.381 4.974 8.479 1.00 0.00 C ATOM 884 CZ TYR A 58 9.329 3.975 8.550 1.00 0.00 C ATOM 885 OH TYR A 58 10.637 4.291 8.836 1.00 0.00 O ATOM 0 H TYR A 58 4.865 0.595 8.309 1.00 0.00 H new ATOM 0 HA TYR A 58 4.804 3.105 9.755 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.229 2.178 6.924 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.767 3.847 7.190 1.00 0.00 H new ATOM 0 HD1 TYR A 58 7.384 1.315 7.877 1.00 0.00 H new ATOM 0 HD2 TYR A 58 6.327 5.435 8.139 1.00 0.00 H new ATOM 0 HE1 TYR A 58 9.718 1.880 8.390 1.00 0.00 H new ATOM 0 HE2 TYR A 58 8.663 6.003 8.647 1.00 0.00 H new ATOM 0 HH TYR A 58 10.720 5.260 8.960 1.00 0.00 H new ATOM 895 N VAL A 59 2.236 2.033 8.010 1.00 0.00 N ATOM 896 CA VAL A 59 0.818 2.251 7.749 1.00 0.00 C ATOM 897 C VAL A 59 -0.047 1.468 8.731 1.00 0.00 C ATOM 898 O VAL A 59 0.405 0.495 9.334 1.00 0.00 O ATOM 899 CB VAL A 59 0.443 1.842 6.312 1.00 0.00 C ATOM 900 CG1 VAL A 59 1.423 2.438 5.314 1.00 0.00 C ATOM 901 CG2 VAL A 59 0.394 0.327 6.185 1.00 0.00 C ATOM 0 H VAL A 59 2.603 1.157 7.639 1.00 0.00 H new ATOM 0 HA VAL A 59 0.632 3.318 7.875 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.549 2.234 6.088 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.142 2.138 4.304 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.402 3.525 5.389 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.429 2.079 5.532 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.128 0.056 5.163 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.371 -0.090 6.428 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.352 -0.072 6.872 1.00 0.00 H new ATOM 911 N ALA A 60 -1.294 1.899 8.886 1.00 0.00 N ATOM 912 CA ALA A 60 -2.224 1.238 9.792 1.00 0.00 C ATOM 913 C ALA A 60 -3.670 1.519 9.397 1.00 0.00 C ATOM 914 O ALA A 60 -3.951 2.477 8.677 1.00 0.00 O ATOM 915 CB ALA A 60 -1.971 1.682 11.225 1.00 0.00 C ATOM 0 H ALA A 60 -1.684 2.704 8.395 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.058 0.163 9.721 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.673 1.180 11.891 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.952 1.424 11.511 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.107 2.761 11.301 1.00 0.00 H new ATOM 921 N GLU A 61 -4.583 0.678 9.872 1.00 0.00 N ATOM 922 CA GLU A 61 -6.000 0.836 9.566 1.00 0.00 C ATOM 923 C GLU A 61 -6.465 2.258 9.866 1.00 0.00 C ATOM 924 O GLU A 61 -6.625 2.638 11.026 1.00 0.00 O ATOM 925 CB GLU A 61 -6.833 -0.165 10.369 1.00 0.00 C ATOM 926 CG GLU A 61 -8.308 -0.161 10.002 1.00 0.00 C ATOM 927 CD GLU A 61 -9.173 -0.824 11.057 1.00 0.00 C ATOM 928 OE1 GLU A 61 -9.029 -2.048 11.260 1.00 0.00 O ATOM 929 OE2 GLU A 61 -9.993 -0.119 11.680 1.00 0.00 O ATOM 0 H GLU A 61 -4.367 -0.120 10.470 1.00 0.00 H new ATOM 0 HA GLU A 61 -6.140 0.643 8.502 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.431 -1.166 10.214 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.731 0.059 11.431 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.640 0.867 9.859 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.443 -0.675 9.051 1.00 0.00 H new ATOM 936 N GLN A 62 -6.681 3.039 8.812 1.00 0.00 N ATOM 937 CA GLN A 62 -7.126 4.419 8.963 1.00 0.00 C ATOM 938 C GLN A 62 -8.317 4.506 9.912 1.00 0.00 C ATOM 939 O GLN A 62 -9.317 3.812 9.734 1.00 0.00 O ATOM 940 CB GLN A 62 -7.500 5.008 7.601 1.00 0.00 C ATOM 941 CG GLN A 62 -6.306 5.242 6.691 1.00 0.00 C ATOM 942 CD GLN A 62 -6.613 6.207 5.562 1.00 0.00 C ATOM 943 OE1 GLN A 62 -5.731 6.257 4.570 1.00 0.00 O flip ATOM 944 NE2 GLN A 62 -7.631 6.899 5.581 1.00 0.00 N flip ATOM 0 H GLN A 62 -6.555 2.740 7.845 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.304 4.995 9.387 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.199 4.336 7.103 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.021 5.953 7.754 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.475 5.631 7.280 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -5.981 4.290 6.272 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -8.281 6.828 6.364 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.824 7.543 4.814 1.00 0.00 H new ATOM 953 N SER A 63 -8.201 5.364 10.921 1.00 0.00 N ATOM 954 CA SER A 63 -9.266 5.539 11.902 1.00 0.00 C ATOM 955 C SER A 63 -9.211 6.932 12.520 1.00 0.00 C ATOM 956 O SER A 63 -8.153 7.557 12.578 1.00 0.00 O ATOM 957 CB SER A 63 -9.158 4.477 12.998 1.00 0.00 C ATOM 958 OG SER A 63 -9.662 3.230 12.552 1.00 0.00 O ATOM 0 H SER A 63 -7.380 5.949 11.080 1.00 0.00 H new ATOM 0 HA SER A 63 -10.221 5.426 11.389 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.116 4.365 13.299 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.711 4.802 13.879 1.00 0.00 H new ATOM 0 HG SER A 63 -9.701 3.224 11.573 1.00 0.00 H new ATOM 964 N GLY A 64 -10.362 7.414 12.982 1.00 0.00 N ATOM 965 CA GLY A 64 -10.425 8.730 13.590 1.00 0.00 C ATOM 966 C GLY A 64 -10.599 9.834 12.566 1.00 0.00 C ATOM 967 O GLY A 64 -9.638 10.483 12.152 1.00 0.00 O ATOM 0 H GLY A 64 -11.251 6.916 12.946 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.254 8.761 14.297 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.513 8.908 14.160 1.00 0.00 H new ATOM 971 N PRO A 65 -11.850 10.059 12.139 1.00 0.00 N ATOM 972 CA PRO A 65 -12.176 11.091 11.150 1.00 0.00 C ATOM 973 C PRO A 65 -12.008 12.500 11.708 1.00 0.00 C ATOM 974 O PRO A 65 -11.874 13.464 10.954 1.00 0.00 O ATOM 975 CB PRO A 65 -13.646 10.817 10.823 1.00 0.00 C ATOM 976 CG PRO A 65 -14.182 10.132 12.032 1.00 0.00 C ATOM 977 CD PRO A 65 -13.044 9.323 12.589 1.00 0.00 C ATOM 0 HA PRO A 65 -11.517 11.048 10.283 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -14.186 11.742 10.620 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -13.744 10.190 9.937 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -14.541 10.856 12.764 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -15.027 9.492 11.776 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -13.091 9.259 13.676 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.053 8.301 12.209 1.00 0.00 H new ATOM 985 N SER A 66 -12.018 12.613 13.032 1.00 0.00 N ATOM 986 CA SER A 66 -11.870 13.906 13.690 1.00 0.00 C ATOM 987 C SER A 66 -10.507 14.019 14.367 1.00 0.00 C ATOM 988 O SER A 66 -9.992 13.044 14.915 1.00 0.00 O ATOM 989 CB SER A 66 -12.983 14.108 14.720 1.00 0.00 C ATOM 990 OG SER A 66 -12.942 15.415 15.266 1.00 0.00 O ATOM 0 H SER A 66 -12.127 11.825 13.670 1.00 0.00 H new ATOM 0 HA SER A 66 -11.943 14.683 12.930 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.952 13.937 14.251 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.881 13.373 15.519 1.00 0.00 H new ATOM 0 HG SER A 66 -13.664 15.519 15.920 1.00 0.00 H new ATOM 996 N SER A 67 -9.930 15.215 14.326 1.00 0.00 N ATOM 997 CA SER A 67 -8.625 15.455 14.932 1.00 0.00 C ATOM 998 C SER A 67 -8.734 15.504 16.453 1.00 0.00 C ATOM 999 O SER A 67 -9.793 15.806 17.002 1.00 0.00 O ATOM 1000 CB SER A 67 -8.030 16.764 14.410 1.00 0.00 C ATOM 1001 OG SER A 67 -6.621 16.778 14.557 1.00 0.00 O ATOM 0 H SER A 67 -10.345 16.033 13.880 1.00 0.00 H new ATOM 0 HA SER A 67 -7.967 14.630 14.658 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.290 16.892 13.359 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.464 17.605 14.951 1.00 0.00 H new ATOM 0 HG SER A 67 -6.265 17.624 14.215 1.00 0.00 H new ATOM 1007 N GLY A 68 -7.629 15.204 17.129 1.00 0.00 N ATOM 1008 CA GLY A 68 -7.620 15.219 18.580 1.00 0.00 C ATOM 1009 C GLY A 68 -6.599 16.188 19.144 1.00 0.00 C ATOM 1010 O GLY A 68 -5.395 15.998 18.976 1.00 0.00 O ATOM 0 H GLY A 68 -6.740 14.951 16.698 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -8.612 15.489 18.944 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -7.407 14.216 18.949 1.00 0.00 H new TER 1014 GLY A 68