USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 423 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 ASN : amide:sc= -0.0367! C(o=-4.5!,f=-14!) USER MOD Set 1.2: A 74 CYS SG : rot 101:sc= -0.0462 USER MOD Set 1.3: A 86 ASN : amide:sc= -4.42! C(o=-4.5!,f=-4.5!) USER MOD Single : A 51 SER OG : rot -13:sc= 0.553 USER MOD Single : A 52 SER OG : rot 34:sc= 0.499 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 26:sc= 0.0227 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 170:sc= -0.938 USER MOD Single : A 75 GLN : amide:sc= -0.198 K(o=-0.2,f=-2.3!) USER MOD Single : A 78 TYR OH : rot -29:sc= -0.563 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 ASN : amide:sc= -0.277 X(o=-0.28,f=-0.0073) USER MOD Single : A 93 GLN : amide:sc= -1.91 X(o=-1.9,f=-2) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= -0.541 X(o=-0.54,f=-0.62) USER MOD Single : A 106 GLN : amide:sc= -3.31! C(o=-3.3!,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 50 23.888 -11.386 3.544 1.00 0.00 N ATOM 2 CA GLY A 50 22.795 -10.485 3.233 1.00 0.00 C ATOM 3 C GLY A 50 22.354 -10.585 1.786 1.00 0.00 C ATOM 4 O GLY A 50 22.338 -11.672 1.209 1.00 0.00 O ATOM 0 HA2 GLY A 50 21.949 -10.707 3.883 1.00 0.00 H new ATOM 0 HA3 GLY A 50 23.101 -9.461 3.446 1.00 0.00 H new ATOM 8 N SER A 51 21.993 -9.448 1.199 1.00 0.00 N ATOM 9 CA SER A 51 21.545 -9.414 -0.188 1.00 0.00 C ATOM 10 C SER A 51 20.623 -10.591 -0.491 1.00 0.00 C ATOM 11 O SER A 51 20.724 -11.218 -1.545 1.00 0.00 O ATOM 12 CB SER A 51 22.746 -9.435 -1.136 1.00 0.00 C ATOM 13 OG SER A 51 23.377 -10.704 -1.131 1.00 0.00 O ATOM 0 H SER A 51 22.002 -8.539 1.662 1.00 0.00 H new ATOM 0 HA SER A 51 20.988 -8.490 -0.340 1.00 0.00 H new ATOM 0 HB2 SER A 51 22.420 -9.192 -2.147 1.00 0.00 H new ATOM 0 HB3 SER A 51 23.461 -8.668 -0.839 1.00 0.00 H new ATOM 0 HG SER A 51 23.046 -11.231 -0.374 1.00 0.00 H new ATOM 19 N SER A 52 19.724 -10.886 0.443 1.00 0.00 N ATOM 20 CA SER A 52 18.786 -11.990 0.279 1.00 0.00 C ATOM 21 C SER A 52 17.384 -11.471 -0.026 1.00 0.00 C ATOM 22 O SER A 52 16.969 -10.432 0.486 1.00 0.00 O ATOM 23 CB SER A 52 18.758 -12.855 1.541 1.00 0.00 C ATOM 24 OG SER A 52 20.035 -13.410 1.806 1.00 0.00 O ATOM 0 H SER A 52 19.626 -10.376 1.321 1.00 0.00 H new ATOM 0 HA SER A 52 19.121 -12.597 -0.562 1.00 0.00 H new ATOM 0 HB2 SER A 52 18.436 -12.254 2.391 1.00 0.00 H new ATOM 0 HB3 SER A 52 18.028 -13.655 1.421 1.00 0.00 H new ATOM 0 HG SER A 52 20.730 -12.777 1.530 1.00 0.00 H new ATOM 30 N GLY A 53 16.658 -12.204 -0.865 1.00 0.00 N ATOM 31 CA GLY A 53 15.310 -11.803 -1.225 1.00 0.00 C ATOM 32 C GLY A 53 15.162 -10.299 -1.331 1.00 0.00 C ATOM 33 O GLY A 53 14.702 -9.646 -0.394 1.00 0.00 O ATOM 0 H GLY A 53 16.979 -13.068 -1.302 1.00 0.00 H new ATOM 0 HA2 GLY A 53 15.041 -12.260 -2.177 1.00 0.00 H new ATOM 0 HA3 GLY A 53 14.610 -12.182 -0.480 1.00 0.00 H new ATOM 37 N SER A 54 15.553 -9.746 -2.475 1.00 0.00 N ATOM 38 CA SER A 54 15.466 -8.308 -2.698 1.00 0.00 C ATOM 39 C SER A 54 14.767 -8.004 -4.020 1.00 0.00 C ATOM 40 O SER A 54 15.412 -7.879 -5.061 1.00 0.00 O ATOM 41 CB SER A 54 16.863 -7.684 -2.692 1.00 0.00 C ATOM 42 OG SER A 54 17.451 -7.763 -1.405 1.00 0.00 O ATOM 0 H SER A 54 15.933 -10.272 -3.262 1.00 0.00 H new ATOM 0 HA SER A 54 14.879 -7.875 -1.888 1.00 0.00 H new ATOM 0 HB2 SER A 54 17.496 -8.196 -3.417 1.00 0.00 H new ATOM 0 HB3 SER A 54 16.800 -6.641 -3.003 1.00 0.00 H new ATOM 0 HG SER A 54 18.344 -7.359 -1.428 1.00 0.00 H new ATOM 48 N SER A 55 13.444 -7.888 -3.969 1.00 0.00 N ATOM 49 CA SER A 55 12.656 -7.603 -5.163 1.00 0.00 C ATOM 50 C SER A 55 11.463 -6.713 -4.826 1.00 0.00 C ATOM 51 O SER A 55 11.174 -6.459 -3.657 1.00 0.00 O ATOM 52 CB SER A 55 12.171 -8.905 -5.802 1.00 0.00 C ATOM 53 OG SER A 55 13.131 -9.415 -6.712 1.00 0.00 O ATOM 0 H SER A 55 12.895 -7.987 -3.115 1.00 0.00 H new ATOM 0 HA SER A 55 13.293 -7.074 -5.872 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.973 -9.644 -5.025 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.229 -8.730 -6.322 1.00 0.00 H new ATOM 0 HG SER A 55 14.023 -9.096 -6.460 1.00 0.00 H new ATOM 59 N GLY A 56 10.773 -6.242 -5.860 1.00 0.00 N ATOM 60 CA GLY A 56 9.620 -5.386 -5.655 1.00 0.00 C ATOM 61 C GLY A 56 8.311 -6.147 -5.737 1.00 0.00 C ATOM 62 O GLY A 56 7.686 -6.205 -6.795 1.00 0.00 O ATOM 0 H GLY A 56 10.992 -6.438 -6.837 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.697 -4.905 -4.680 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.623 -4.593 -6.402 1.00 0.00 H new ATOM 66 N GLU A 57 7.897 -6.733 -4.618 1.00 0.00 N ATOM 67 CA GLU A 57 6.656 -7.496 -4.570 1.00 0.00 C ATOM 68 C GLU A 57 5.448 -6.566 -4.499 1.00 0.00 C ATOM 69 O GLU A 57 5.494 -5.493 -3.896 1.00 0.00 O ATOM 70 CB GLU A 57 6.658 -8.440 -3.366 1.00 0.00 C ATOM 71 CG GLU A 57 7.463 -9.709 -3.590 1.00 0.00 C ATOM 72 CD GLU A 57 7.127 -10.798 -2.589 1.00 0.00 C ATOM 73 OE1 GLU A 57 5.971 -11.271 -2.593 1.00 0.00 O ATOM 74 OE2 GLU A 57 8.020 -11.176 -1.802 1.00 0.00 O ATOM 0 H GLU A 57 8.403 -6.694 -3.733 1.00 0.00 H new ATOM 0 HA GLU A 57 6.586 -8.085 -5.484 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.061 -7.912 -2.502 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.630 -8.710 -3.124 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.278 -10.078 -4.599 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.526 -9.477 -3.525 1.00 0.00 H new ATOM 81 N PRO A 58 4.341 -6.985 -5.129 1.00 0.00 N ATOM 82 CA PRO A 58 3.100 -6.205 -5.152 1.00 0.00 C ATOM 83 C PRO A 58 2.422 -6.155 -3.787 1.00 0.00 C ATOM 84 O PRO A 58 2.501 -7.104 -3.008 1.00 0.00 O ATOM 85 CB PRO A 58 2.225 -6.960 -6.156 1.00 0.00 C ATOM 86 CG PRO A 58 2.738 -8.358 -6.129 1.00 0.00 C ATOM 87 CD PRO A 58 4.215 -8.253 -5.868 1.00 0.00 C ATOM 0 HA PRO A 58 3.278 -5.163 -5.420 1.00 0.00 H new ATOM 0 HB2 PRO A 58 1.173 -6.919 -5.874 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.305 -6.528 -7.154 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.245 -8.940 -5.350 1.00 0.00 H new ATOM 0 HG3 PRO A 58 2.544 -8.863 -7.075 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.581 -9.097 -5.283 1.00 0.00 H new ATOM 0 HD3 PRO A 58 4.787 -8.236 -6.796 1.00 0.00 H new ATOM 95 N VAL A 59 1.754 -5.040 -3.504 1.00 0.00 N ATOM 96 CA VAL A 59 1.061 -4.867 -2.233 1.00 0.00 C ATOM 97 C VAL A 59 -0.447 -5.016 -2.405 1.00 0.00 C ATOM 98 O VAL A 59 -1.151 -4.042 -2.674 1.00 0.00 O ATOM 99 CB VAL A 59 1.362 -3.490 -1.613 1.00 0.00 C ATOM 100 CG1 VAL A 59 0.623 -3.325 -0.294 1.00 0.00 C ATOM 101 CG2 VAL A 59 2.860 -3.309 -1.420 1.00 0.00 C ATOM 0 H VAL A 59 1.679 -4.244 -4.138 1.00 0.00 H new ATOM 0 HA VAL A 59 1.427 -5.646 -1.564 1.00 0.00 H new ATOM 0 HB VAL A 59 1.011 -2.718 -2.298 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.848 -2.346 0.129 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.450 -3.408 -0.465 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.941 -4.102 0.401 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.055 -2.331 -0.981 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.238 -4.086 -0.756 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.362 -3.380 -2.385 1.00 0.00 H new ATOM 111 N LEU A 60 -0.936 -6.241 -2.247 1.00 0.00 N ATOM 112 CA LEU A 60 -2.362 -6.519 -2.384 1.00 0.00 C ATOM 113 C LEU A 60 -3.137 -5.996 -1.179 1.00 0.00 C ATOM 114 O LEU A 60 -2.651 -6.040 -0.048 1.00 0.00 O ATOM 115 CB LEU A 60 -2.596 -8.022 -2.543 1.00 0.00 C ATOM 116 CG LEU A 60 -1.917 -8.684 -3.742 1.00 0.00 C ATOM 117 CD1 LEU A 60 -2.074 -10.196 -3.677 1.00 0.00 C ATOM 118 CD2 LEU A 60 -2.489 -8.143 -5.044 1.00 0.00 C ATOM 0 H LEU A 60 -0.367 -7.057 -2.024 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.723 -6.006 -3.275 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.254 -8.521 -1.636 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.669 -8.196 -2.617 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.853 -8.448 -3.709 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.584 -10.650 -4.539 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.617 -10.570 -2.761 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.133 -10.452 -3.685 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.994 -8.625 -5.887 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.559 -8.349 -5.085 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.325 -7.067 -5.094 1.00 0.00 H new ATOM 130 N CYS A 61 -4.345 -5.503 -1.428 1.00 0.00 N ATOM 131 CA CYS A 61 -5.190 -4.973 -0.364 1.00 0.00 C ATOM 132 C CYS A 61 -5.344 -5.989 0.764 1.00 0.00 C ATOM 133 O CYS A 61 -5.407 -7.194 0.524 1.00 0.00 O ATOM 134 CB CYS A 61 -6.565 -4.594 -0.916 1.00 0.00 C ATOM 135 SG CYS A 61 -7.460 -3.370 0.092 1.00 0.00 S ATOM 0 H CYS A 61 -4.762 -5.459 -2.358 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.710 -4.081 0.037 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -6.443 -4.199 -1.925 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -7.173 -5.495 -0.998 1.00 0.00 H new ATOM 140 N SER A 62 -5.406 -5.492 1.996 1.00 0.00 N ATOM 141 CA SER A 62 -5.550 -6.356 3.162 1.00 0.00 C ATOM 142 C SER A 62 -6.769 -7.262 3.020 1.00 0.00 C ATOM 143 O SER A 62 -6.651 -8.487 3.041 1.00 0.00 O ATOM 144 CB SER A 62 -5.671 -5.514 4.434 1.00 0.00 C ATOM 145 OG SER A 62 -5.881 -6.335 5.570 1.00 0.00 O ATOM 0 H SER A 62 -5.359 -4.496 2.212 1.00 0.00 H new ATOM 0 HA SER A 62 -4.661 -6.982 3.232 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.765 -4.923 4.571 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.498 -4.811 4.331 1.00 0.00 H new ATOM 0 HG SER A 62 -5.953 -5.774 6.370 1.00 0.00 H new ATOM 151 N ARG A 63 -7.940 -6.650 2.875 1.00 0.00 N ATOM 152 CA ARG A 63 -9.181 -7.400 2.730 1.00 0.00 C ATOM 153 C ARG A 63 -9.052 -8.461 1.641 1.00 0.00 C ATOM 154 O ARG A 63 -8.698 -8.157 0.501 1.00 0.00 O ATOM 155 CB ARG A 63 -10.338 -6.455 2.402 1.00 0.00 C ATOM 156 CG ARG A 63 -11.708 -7.103 2.523 1.00 0.00 C ATOM 157 CD ARG A 63 -12.822 -6.072 2.429 1.00 0.00 C ATOM 158 NE ARG A 63 -12.953 -5.293 3.658 1.00 0.00 N ATOM 159 CZ ARG A 63 -13.952 -4.450 3.890 1.00 0.00 C ATOM 160 NH1 ARG A 63 -14.904 -4.278 2.983 1.00 0.00 N ATOM 161 NH2 ARG A 63 -14.002 -3.778 5.033 1.00 0.00 N ATOM 0 H ARG A 63 -8.055 -5.637 2.855 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.386 -7.900 3.677 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.293 -5.594 3.069 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.212 -6.079 1.387 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -11.831 -7.846 1.735 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -11.779 -7.632 3.474 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -12.625 -5.400 1.594 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -13.765 -6.576 2.217 1.00 0.00 H new ATOM 0 HE ARG A 63 -12.238 -5.403 4.377 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -14.870 -4.794 2.104 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -15.670 -3.630 3.164 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -13.273 -3.909 5.734 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -14.770 -3.130 5.211 1.00 0.00 H new ATOM 175 N THR A 64 -9.340 -9.708 1.999 1.00 0.00 N ATOM 176 CA THR A 64 -9.255 -10.814 1.054 1.00 0.00 C ATOM 177 C THR A 64 -10.262 -10.649 -0.078 1.00 0.00 C ATOM 178 O THR A 64 -9.940 -10.867 -1.247 1.00 0.00 O ATOM 179 CB THR A 64 -9.498 -12.167 1.749 1.00 0.00 C ATOM 180 OG1 THR A 64 -9.430 -13.229 0.791 1.00 0.00 O ATOM 181 CG2 THR A 64 -10.854 -12.185 2.438 1.00 0.00 C ATOM 0 H THR A 64 -9.634 -9.977 2.938 1.00 0.00 H new ATOM 0 HA THR A 64 -8.246 -10.801 0.643 1.00 0.00 H new ATOM 0 HB THR A 64 -8.723 -12.308 2.503 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.584 -14.086 1.241 1.00 0.00 H new ATOM 0 HG21 THR A 64 -11.004 -13.150 2.922 1.00 0.00 H new ATOM 0 HG22 THR A 64 -10.892 -11.394 3.187 1.00 0.00 H new ATOM 0 HG23 THR A 64 -11.639 -12.024 1.700 1.00 0.00 H new ATOM 189 N THR A 65 -11.483 -10.260 0.274 1.00 0.00 N ATOM 190 CA THR A 65 -12.538 -10.066 -0.713 1.00 0.00 C ATOM 191 C THR A 65 -12.157 -8.985 -1.718 1.00 0.00 C ATOM 192 O THR A 65 -12.521 -9.060 -2.893 1.00 0.00 O ATOM 193 CB THR A 65 -13.870 -9.681 -0.042 1.00 0.00 C ATOM 194 OG1 THR A 65 -13.735 -8.425 0.632 1.00 0.00 O ATOM 195 CG2 THR A 65 -14.307 -10.750 0.948 1.00 0.00 C ATOM 0 H THR A 65 -11.766 -10.073 1.236 1.00 0.00 H new ATOM 0 HA THR A 65 -12.663 -11.015 -1.234 1.00 0.00 H new ATOM 0 HB THR A 65 -14.630 -9.596 -0.818 1.00 0.00 H new ATOM 0 HG1 THR A 65 -14.618 -8.110 0.917 1.00 0.00 H new ATOM 0 HG21 THR A 65 -15.250 -10.455 1.409 1.00 0.00 H new ATOM 0 HG22 THR A 65 -14.439 -11.698 0.426 1.00 0.00 H new ATOM 0 HG23 THR A 65 -13.546 -10.864 1.720 1.00 0.00 H new ATOM 203 N CYS A 66 -11.423 -7.981 -1.251 1.00 0.00 N ATOM 204 CA CYS A 66 -10.992 -6.885 -2.110 1.00 0.00 C ATOM 205 C CYS A 66 -9.719 -7.253 -2.866 1.00 0.00 C ATOM 206 O CYS A 66 -9.729 -7.397 -4.088 1.00 0.00 O ATOM 207 CB CYS A 66 -10.758 -5.621 -1.280 1.00 0.00 C ATOM 208 SG CYS A 66 -10.400 -4.136 -2.272 1.00 0.00 S ATOM 0 H CYS A 66 -11.114 -7.904 -0.282 1.00 0.00 H new ATOM 0 HA CYS A 66 -11.782 -6.694 -2.837 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -11.640 -5.432 -0.668 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -9.928 -5.797 -0.596 1.00 0.00 H new ATOM 213 N ARG A 67 -8.623 -7.405 -2.129 1.00 0.00 N ATOM 214 CA ARG A 67 -7.342 -7.756 -2.728 1.00 0.00 C ATOM 215 C ARG A 67 -7.098 -6.950 -4.000 1.00 0.00 C ATOM 216 O ARG A 67 -6.648 -7.488 -5.012 1.00 0.00 O ATOM 217 CB ARG A 67 -7.294 -9.252 -3.043 1.00 0.00 C ATOM 218 CG ARG A 67 -7.123 -10.128 -1.813 1.00 0.00 C ATOM 219 CD ARG A 67 -5.721 -10.008 -1.235 1.00 0.00 C ATOM 220 NE ARG A 67 -5.620 -10.622 0.087 1.00 0.00 N ATOM 221 CZ ARG A 67 -4.542 -10.533 0.858 1.00 0.00 C ATOM 222 NH1 ARG A 67 -3.479 -9.859 0.441 1.00 0.00 N ATOM 223 NH2 ARG A 67 -4.526 -11.118 2.048 1.00 0.00 N ATOM 0 H ARG A 67 -8.597 -7.290 -1.116 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.557 -7.518 -2.010 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.213 -9.536 -3.556 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -6.472 -9.443 -3.732 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -7.855 -9.843 -1.057 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -7.322 -11.167 -2.074 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -5.009 -10.482 -1.910 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -5.445 -8.956 -1.168 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.421 -11.148 0.437 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.488 -9.407 -0.474 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.652 -9.792 1.035 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.342 -11.637 2.372 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.698 -11.049 2.639 1.00 0.00 H new ATOM 237 N ALA A 68 -7.398 -5.656 -3.942 1.00 0.00 N ATOM 238 CA ALA A 68 -7.210 -4.776 -5.088 1.00 0.00 C ATOM 239 C ALA A 68 -5.762 -4.309 -5.190 1.00 0.00 C ATOM 240 O ALA A 68 -5.320 -3.454 -4.423 1.00 0.00 O ATOM 241 CB ALA A 68 -8.147 -3.580 -4.994 1.00 0.00 C ATOM 0 H ALA A 68 -7.772 -5.195 -3.113 1.00 0.00 H new ATOM 0 HA ALA A 68 -7.447 -5.340 -5.990 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.996 -2.931 -5.856 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -9.180 -3.927 -4.978 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.937 -3.024 -4.080 1.00 0.00 H new ATOM 247 N ALA A 69 -5.028 -4.876 -6.141 1.00 0.00 N ATOM 248 CA ALA A 69 -3.630 -4.517 -6.344 1.00 0.00 C ATOM 249 C ALA A 69 -3.426 -3.011 -6.216 1.00 0.00 C ATOM 250 O ALA A 69 -4.210 -2.221 -6.742 1.00 0.00 O ATOM 251 CB ALA A 69 -3.152 -5.002 -7.705 1.00 0.00 C ATOM 0 H ALA A 69 -5.378 -5.586 -6.784 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.039 -5.005 -5.569 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.106 -4.727 -7.843 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.252 -6.086 -7.761 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.755 -4.541 -8.488 1.00 0.00 H new ATOM 257 N LEU A 70 -2.369 -2.620 -5.513 1.00 0.00 N ATOM 258 CA LEU A 70 -2.062 -1.208 -5.314 1.00 0.00 C ATOM 259 C LEU A 70 -2.182 -0.435 -6.624 1.00 0.00 C ATOM 260 O LEU A 70 -1.475 -0.719 -7.590 1.00 0.00 O ATOM 261 CB LEU A 70 -0.653 -1.047 -4.741 1.00 0.00 C ATOM 262 CG LEU A 70 -0.207 0.385 -4.447 1.00 0.00 C ATOM 263 CD1 LEU A 70 -0.845 0.889 -3.161 1.00 0.00 C ATOM 264 CD2 LEU A 70 1.310 0.465 -4.358 1.00 0.00 C ATOM 0 H LEU A 70 -1.710 -3.261 -5.071 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.784 -0.801 -4.606 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.590 -1.622 -3.817 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.055 -1.490 -5.441 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.536 1.023 -5.267 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.516 1.910 -2.968 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.930 0.870 -3.262 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.546 0.248 -2.331 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.608 1.492 -4.148 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.662 -0.186 -3.558 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.747 0.146 -5.304 1.00 0.00 H new ATOM 276 N ASN A 71 -3.080 0.544 -6.648 1.00 0.00 N ATOM 277 CA ASN A 71 -3.292 1.358 -7.839 1.00 0.00 C ATOM 278 C ASN A 71 -3.196 2.844 -7.505 1.00 0.00 C ATOM 279 O ASN A 71 -3.394 3.264 -6.365 1.00 0.00 O ATOM 280 CB ASN A 71 -4.656 1.050 -8.458 1.00 0.00 C ATOM 281 CG ASN A 71 -5.754 0.951 -7.417 1.00 0.00 C ATOM 282 OD1 ASN A 71 -5.485 0.756 -6.231 1.00 0.00 O ATOM 283 ND2 ASN A 71 -7.000 1.084 -7.856 1.00 0.00 N ATOM 0 H ASN A 71 -3.673 0.793 -5.856 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.511 1.114 -8.559 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.910 1.829 -9.177 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -4.598 0.112 -9.011 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -7.780 1.026 -7.202 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -7.177 1.245 -8.848 1.00 0.00 H new ATOM 290 N PRO A 72 -2.886 3.660 -8.524 1.00 0.00 N ATOM 291 CA PRO A 72 -2.759 5.112 -8.364 1.00 0.00 C ATOM 292 C PRO A 72 -4.101 5.787 -8.103 1.00 0.00 C ATOM 293 O PRO A 72 -4.172 7.004 -7.931 1.00 0.00 O ATOM 294 CB PRO A 72 -2.183 5.568 -9.707 1.00 0.00 C ATOM 295 CG PRO A 72 -2.613 4.522 -10.677 1.00 0.00 C ATOM 296 CD PRO A 72 -2.637 3.229 -9.909 1.00 0.00 C ATOM 0 HA PRO A 72 -2.138 5.374 -7.507 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -2.564 6.550 -9.988 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -1.097 5.647 -9.666 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.597 4.751 -11.087 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.923 4.463 -11.519 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -3.420 2.562 -10.269 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.694 2.691 -9.999 1.00 0.00 H new ATOM 304 N LEU A 73 -5.163 4.989 -8.074 1.00 0.00 N ATOM 305 CA LEU A 73 -6.504 5.510 -7.833 1.00 0.00 C ATOM 306 C LEU A 73 -6.772 5.653 -6.338 1.00 0.00 C ATOM 307 O LEU A 73 -7.362 6.639 -5.895 1.00 0.00 O ATOM 308 CB LEU A 73 -7.551 4.590 -8.464 1.00 0.00 C ATOM 309 CG LEU A 73 -7.603 4.582 -9.993 1.00 0.00 C ATOM 310 CD1 LEU A 73 -6.542 3.651 -10.559 1.00 0.00 C ATOM 311 CD2 LEU A 73 -8.987 4.175 -10.477 1.00 0.00 C ATOM 0 H LEU A 73 -5.121 3.980 -8.214 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.572 6.496 -8.292 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.365 3.572 -8.121 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.533 4.878 -8.088 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.398 5.591 -10.350 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.595 3.659 -11.648 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.555 3.988 -10.241 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.715 2.638 -10.195 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.006 4.175 -11.567 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.222 3.176 -10.110 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.726 4.882 -10.102 1.00 0.00 H new ATOM 323 N CYS A 74 -6.334 4.665 -5.566 1.00 0.00 N ATOM 324 CA CYS A 74 -6.525 4.681 -4.120 1.00 0.00 C ATOM 325 C CYS A 74 -5.815 5.875 -3.492 1.00 0.00 C ATOM 326 O CYS A 74 -4.669 6.174 -3.827 1.00 0.00 O ATOM 327 CB CYS A 74 -6.009 3.381 -3.502 1.00 0.00 C ATOM 328 SG CYS A 74 -6.937 1.910 -3.994 1.00 0.00 S ATOM 0 H CYS A 74 -5.844 3.842 -5.917 1.00 0.00 H new ATOM 0 HA CYS A 74 -7.593 4.770 -3.920 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -4.964 3.248 -3.782 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -6.040 3.470 -2.416 1.00 0.00 H new ATOM 0 HG CYS A 74 -6.278 1.269 -4.913 1.00 0.00 H new ATOM 334 N GLN A 75 -6.503 6.553 -2.579 1.00 0.00 N ATOM 335 CA GLN A 75 -5.938 7.717 -1.906 1.00 0.00 C ATOM 336 C GLN A 75 -4.660 7.346 -1.160 1.00 0.00 C ATOM 337 O GLN A 75 -4.707 6.717 -0.102 1.00 0.00 O ATOM 338 CB GLN A 75 -6.956 8.313 -0.932 1.00 0.00 C ATOM 339 CG GLN A 75 -6.376 9.390 -0.029 1.00 0.00 C ATOM 340 CD GLN A 75 -7.401 10.434 0.367 1.00 0.00 C ATOM 341 OE1 GLN A 75 -8.524 10.442 -0.140 1.00 0.00 O ATOM 342 NE2 GLN A 75 -7.021 11.322 1.278 1.00 0.00 N ATOM 0 H GLN A 75 -7.452 6.317 -2.288 1.00 0.00 H new ATOM 0 HA GLN A 75 -5.692 8.461 -2.664 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -7.786 8.734 -1.499 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -7.366 7.514 -0.314 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -5.970 8.925 0.870 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -5.545 9.877 -0.539 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -6.081 11.278 1.672 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -7.669 12.048 1.584 1.00 0.00 H new ATOM 351 N VAL A 76 -3.520 7.740 -1.717 1.00 0.00 N ATOM 352 CA VAL A 76 -2.229 7.450 -1.105 1.00 0.00 C ATOM 353 C VAL A 76 -1.754 8.617 -0.246 1.00 0.00 C ATOM 354 O VAL A 76 -1.609 9.739 -0.730 1.00 0.00 O ATOM 355 CB VAL A 76 -1.159 7.142 -2.169 1.00 0.00 C ATOM 356 CG1 VAL A 76 0.190 6.892 -1.513 1.00 0.00 C ATOM 357 CG2 VAL A 76 -1.579 5.950 -3.016 1.00 0.00 C ATOM 0 H VAL A 76 -3.464 8.261 -2.592 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.368 6.571 -0.475 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.062 8.008 -2.824 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.933 6.676 -2.280 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.492 7.777 -0.954 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.113 6.043 -0.834 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.812 5.746 -3.763 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.705 5.076 -2.377 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.522 6.173 -3.516 1.00 0.00 H new ATOM 367 N ASP A 77 -1.514 8.344 1.032 1.00 0.00 N ATOM 368 CA ASP A 77 -1.053 9.370 1.960 1.00 0.00 C ATOM 369 C ASP A 77 0.353 9.057 2.463 1.00 0.00 C ATOM 370 O ASP A 77 0.530 8.259 3.383 1.00 0.00 O ATOM 371 CB ASP A 77 -2.016 9.489 3.142 1.00 0.00 C ATOM 372 CG ASP A 77 -2.006 10.873 3.761 1.00 0.00 C ATOM 373 OD1 ASP A 77 -0.903 11.408 3.997 1.00 0.00 O ATOM 374 OD2 ASP A 77 -3.101 11.420 4.009 1.00 0.00 O ATOM 0 H ASP A 77 -1.631 7.420 1.449 1.00 0.00 H new ATOM 0 HA ASP A 77 -1.025 10.320 1.427 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.026 9.251 2.809 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -1.748 8.753 3.900 1.00 0.00 H new ATOM 379 N TYR A 78 1.348 9.690 1.852 1.00 0.00 N ATOM 380 CA TYR A 78 2.739 9.476 2.235 1.00 0.00 C ATOM 381 C TYR A 78 3.022 10.070 3.612 1.00 0.00 C ATOM 382 O TYR A 78 3.609 9.415 4.474 1.00 0.00 O ATOM 383 CB TYR A 78 3.677 10.096 1.198 1.00 0.00 C ATOM 384 CG TYR A 78 3.606 9.429 -0.157 1.00 0.00 C ATOM 385 CD1 TYR A 78 4.231 8.210 -0.388 1.00 0.00 C ATOM 386 CD2 TYR A 78 2.912 10.018 -1.208 1.00 0.00 C ATOM 387 CE1 TYR A 78 4.169 7.598 -1.624 1.00 0.00 C ATOM 388 CE2 TYR A 78 2.844 9.412 -2.447 1.00 0.00 C ATOM 389 CZ TYR A 78 3.474 8.203 -2.651 1.00 0.00 C ATOM 390 OH TYR A 78 3.409 7.595 -3.884 1.00 0.00 O ATOM 0 H TYR A 78 1.218 10.355 1.090 1.00 0.00 H new ATOM 0 HA TYR A 78 2.916 8.401 2.279 1.00 0.00 H new ATOM 0 HB2 TYR A 78 3.434 11.153 1.087 1.00 0.00 H new ATOM 0 HB3 TYR A 78 4.701 10.041 1.568 1.00 0.00 H new ATOM 0 HD1 TYR A 78 4.775 7.733 0.414 1.00 0.00 H new ATOM 0 HD2 TYR A 78 2.418 10.966 -1.053 1.00 0.00 H new ATOM 0 HE1 TYR A 78 4.662 6.651 -1.786 1.00 0.00 H new ATOM 0 HE2 TYR A 78 2.300 9.883 -3.252 1.00 0.00 H new ATOM 0 HH TYR A 78 4.214 7.053 -4.024 1.00 0.00 H new ATOM 400 N ARG A 79 2.600 11.314 3.811 1.00 0.00 N ATOM 401 CA ARG A 79 2.807 11.998 5.081 1.00 0.00 C ATOM 402 C ARG A 79 2.201 11.201 6.233 1.00 0.00 C ATOM 403 O ARG A 79 2.884 10.879 7.205 1.00 0.00 O ATOM 404 CB ARG A 79 2.193 13.398 5.038 1.00 0.00 C ATOM 405 CG ARG A 79 2.748 14.272 3.925 1.00 0.00 C ATOM 406 CD ARG A 79 1.903 15.520 3.723 1.00 0.00 C ATOM 407 NE ARG A 79 2.538 16.470 2.814 1.00 0.00 N ATOM 408 CZ ARG A 79 2.432 16.407 1.492 1.00 0.00 C ATOM 409 NH1 ARG A 79 1.718 15.443 0.926 1.00 0.00 N ATOM 410 NH2 ARG A 79 3.040 17.309 0.732 1.00 0.00 N ATOM 0 H ARG A 79 2.112 11.869 3.108 1.00 0.00 H new ATOM 0 HA ARG A 79 3.881 12.085 5.246 1.00 0.00 H new ATOM 0 HB2 ARG A 79 1.114 13.309 4.914 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.365 13.890 5.995 1.00 0.00 H new ATOM 0 HG2 ARG A 79 3.772 14.559 4.163 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.784 13.702 2.997 1.00 0.00 H new ATOM 0 HD2 ARG A 79 0.927 15.237 3.328 1.00 0.00 H new ATOM 0 HD3 ARG A 79 1.730 16.000 4.686 1.00 0.00 H new ATOM 0 HE ARG A 79 3.094 17.224 3.217 1.00 0.00 H new ATOM 0 HH11 ARG A 79 1.249 14.748 1.507 1.00 0.00 H new ATOM 0 HH12 ARG A 79 1.638 15.397 -0.090 1.00 0.00 H new ATOM 0 HH21 ARG A 79 3.590 18.052 1.163 1.00 0.00 H new ATOM 0 HH22 ARG A 79 2.958 17.259 -0.283 1.00 0.00 H new ATOM 424 N ALA A 80 0.915 10.886 6.116 1.00 0.00 N ATOM 425 CA ALA A 80 0.218 10.126 7.146 1.00 0.00 C ATOM 426 C ALA A 80 0.526 8.637 7.032 1.00 0.00 C ATOM 427 O ALA A 80 0.131 7.843 7.886 1.00 0.00 O ATOM 428 CB ALA A 80 -1.282 10.365 7.054 1.00 0.00 C ATOM 0 H ALA A 80 0.335 11.146 5.318 1.00 0.00 H new ATOM 0 HA ALA A 80 0.571 10.470 8.118 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -1.790 9.791 7.829 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.491 11.426 7.192 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.641 10.049 6.075 1.00 0.00 H new ATOM 434 N LYS A 81 1.234 8.263 5.972 1.00 0.00 N ATOM 435 CA LYS A 81 1.596 6.869 5.745 1.00 0.00 C ATOM 436 C LYS A 81 0.363 5.973 5.784 1.00 0.00 C ATOM 437 O LYS A 81 0.395 4.878 6.347 1.00 0.00 O ATOM 438 CB LYS A 81 2.609 6.407 6.796 1.00 0.00 C ATOM 439 CG LYS A 81 4.051 6.702 6.422 1.00 0.00 C ATOM 440 CD LYS A 81 5.018 5.813 7.186 1.00 0.00 C ATOM 441 CE LYS A 81 5.155 6.256 8.635 1.00 0.00 C ATOM 442 NZ LYS A 81 5.973 5.300 9.432 1.00 0.00 N ATOM 0 H LYS A 81 1.569 8.907 5.255 1.00 0.00 H new ATOM 0 HA LYS A 81 2.047 6.793 4.756 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.382 6.892 7.745 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.495 5.334 6.951 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.188 6.554 5.351 1.00 0.00 H new ATOM 0 HG3 LYS A 81 4.275 7.748 6.630 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.670 4.781 7.151 1.00 0.00 H new ATOM 0 HD3 LYS A 81 5.995 5.837 6.703 1.00 0.00 H new ATOM 0 HE2 LYS A 81 5.614 7.244 8.671 1.00 0.00 H new ATOM 0 HE3 LYS A 81 4.165 6.348 9.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.043 5.637 10.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.522 4.363 9.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 6.926 5.232 9.021 1.00 0.00 H new ATOM 456 N LEU A 82 -0.724 6.444 5.181 1.00 0.00 N ATOM 457 CA LEU A 82 -1.969 5.684 5.146 1.00 0.00 C ATOM 458 C LEU A 82 -2.639 5.802 3.781 1.00 0.00 C ATOM 459 O LEU A 82 -2.896 6.904 3.297 1.00 0.00 O ATOM 460 CB LEU A 82 -2.920 6.175 6.238 1.00 0.00 C ATOM 461 CG LEU A 82 -2.482 5.909 7.679 1.00 0.00 C ATOM 462 CD1 LEU A 82 -3.508 6.458 8.658 1.00 0.00 C ATOM 463 CD2 LEU A 82 -2.269 4.420 7.905 1.00 0.00 C ATOM 0 H LEU A 82 -0.768 7.348 4.710 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.732 4.635 5.325 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.060 7.249 6.114 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.892 5.707 6.083 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.535 6.421 7.852 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.180 6.260 9.678 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.611 7.533 8.512 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.470 5.975 8.486 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.958 4.249 8.936 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.200 3.886 7.714 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.496 4.056 7.228 1.00 0.00 H new ATOM 475 N TRP A 83 -2.922 4.659 3.166 1.00 0.00 N ATOM 476 CA TRP A 83 -3.565 4.634 1.857 1.00 0.00 C ATOM 477 C TRP A 83 -4.950 4.002 1.943 1.00 0.00 C ATOM 478 O TRP A 83 -5.092 2.847 2.344 1.00 0.00 O ATOM 479 CB TRP A 83 -2.702 3.865 0.856 1.00 0.00 C ATOM 480 CG TRP A 83 -2.550 2.412 1.195 1.00 0.00 C ATOM 481 CD1 TRP A 83 -1.740 1.874 2.153 1.00 0.00 C ATOM 482 CD2 TRP A 83 -3.227 1.313 0.576 1.00 0.00 C ATOM 483 NE1 TRP A 83 -1.871 0.507 2.167 1.00 0.00 N ATOM 484 CE2 TRP A 83 -2.778 0.138 1.209 1.00 0.00 C ATOM 485 CE3 TRP A 83 -4.169 1.207 -0.451 1.00 0.00 C ATOM 486 CZ2 TRP A 83 -3.240 -1.125 0.847 1.00 0.00 C ATOM 487 CZ3 TRP A 83 -4.626 -0.047 -0.809 1.00 0.00 C ATOM 488 CH2 TRP A 83 -4.162 -1.199 -0.161 1.00 0.00 C ATOM 0 H TRP A 83 -2.716 3.738 3.553 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.676 5.663 1.515 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.143 3.955 -0.137 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -1.715 4.325 0.810 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -1.091 2.440 2.805 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -1.374 -0.130 2.789 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -4.533 2.090 -0.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -2.883 -2.015 1.344 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -5.353 -0.141 -1.602 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -4.540 -2.165 -0.463 1.00 0.00 H new ATOM 499 N ALA A 84 -5.969 4.766 1.564 1.00 0.00 N ATOM 500 CA ALA A 84 -7.343 4.280 1.597 1.00 0.00 C ATOM 501 C ALA A 84 -7.748 3.689 0.251 1.00 0.00 C ATOM 502 O ALA A 84 -7.487 4.277 -0.800 1.00 0.00 O ATOM 503 CB ALA A 84 -8.291 5.402 1.991 1.00 0.00 C ATOM 0 H ALA A 84 -5.869 5.725 1.230 1.00 0.00 H new ATOM 0 HA ALA A 84 -7.405 3.489 2.345 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.313 5.024 2.011 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -8.022 5.775 2.979 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -8.218 6.212 1.265 1.00 0.00 H new ATOM 509 N CYS A 85 -8.387 2.525 0.288 1.00 0.00 N ATOM 510 CA CYS A 85 -8.827 1.854 -0.929 1.00 0.00 C ATOM 511 C CYS A 85 -9.998 2.597 -1.566 1.00 0.00 C ATOM 512 O CYS A 85 -10.761 3.277 -0.881 1.00 0.00 O ATOM 513 CB CYS A 85 -9.231 0.410 -0.622 1.00 0.00 C ATOM 514 SG CYS A 85 -9.192 -0.696 -2.069 1.00 0.00 S ATOM 0 H CYS A 85 -8.612 2.026 1.149 1.00 0.00 H new ATOM 0 HA CYS A 85 -7.995 1.850 -1.634 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -8.565 0.013 0.144 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -10.237 0.407 -0.202 1.00 0.00 H new ATOM 519 N ASN A 86 -10.132 2.461 -2.881 1.00 0.00 N ATOM 520 CA ASN A 86 -11.209 3.120 -3.612 1.00 0.00 C ATOM 521 C ASN A 86 -12.426 2.207 -3.726 1.00 0.00 C ATOM 522 O ASN A 86 -13.536 2.666 -3.997 1.00 0.00 O ATOM 523 CB ASN A 86 -10.732 3.528 -5.007 1.00 0.00 C ATOM 524 CG ASN A 86 -10.906 2.419 -6.026 1.00 0.00 C ATOM 525 OD1 ASN A 86 -10.177 1.428 -6.012 1.00 0.00 O ATOM 526 ND2 ASN A 86 -11.878 2.582 -6.917 1.00 0.00 N ATOM 0 H ASN A 86 -9.509 1.901 -3.462 1.00 0.00 H new ATOM 0 HA ASN A 86 -11.497 4.014 -3.058 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -11.286 4.408 -5.334 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -9.681 3.812 -4.960 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -12.044 1.869 -7.627 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -12.458 3.420 -6.891 1.00 0.00 H new ATOM 533 N PHE A 87 -12.210 0.913 -3.516 1.00 0.00 N ATOM 534 CA PHE A 87 -13.289 -0.065 -3.595 1.00 0.00 C ATOM 535 C PHE A 87 -13.783 -0.444 -2.202 1.00 0.00 C ATOM 536 O PHE A 87 -14.874 -0.050 -1.789 1.00 0.00 O ATOM 537 CB PHE A 87 -12.818 -1.316 -4.340 1.00 0.00 C ATOM 538 CG PHE A 87 -12.184 -1.020 -5.669 1.00 0.00 C ATOM 539 CD1 PHE A 87 -12.954 -0.597 -6.740 1.00 0.00 C ATOM 540 CD2 PHE A 87 -10.817 -1.163 -5.846 1.00 0.00 C ATOM 541 CE1 PHE A 87 -12.373 -0.325 -7.964 1.00 0.00 C ATOM 542 CE2 PHE A 87 -10.230 -0.892 -7.068 1.00 0.00 C ATOM 543 CZ PHE A 87 -11.009 -0.471 -8.128 1.00 0.00 C ATOM 0 H PHE A 87 -11.298 0.517 -3.290 1.00 0.00 H new ATOM 0 HA PHE A 87 -14.116 0.386 -4.144 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -12.103 -1.852 -3.717 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -13.669 -1.980 -4.492 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -14.020 -0.478 -6.617 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -10.203 -1.490 -5.020 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -12.985 0.002 -8.792 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -9.164 -1.009 -7.194 1.00 0.00 H new ATOM 0 HZ PHE A 87 -10.553 -0.256 -9.083 1.00 0.00 H new ATOM 553 N CYS A 88 -12.972 -1.212 -1.482 1.00 0.00 N ATOM 554 CA CYS A 88 -13.325 -1.647 -0.136 1.00 0.00 C ATOM 555 C CYS A 88 -13.335 -0.467 0.831 1.00 0.00 C ATOM 556 O CYS A 88 -13.981 -0.515 1.879 1.00 0.00 O ATOM 557 CB CYS A 88 -12.342 -2.712 0.352 1.00 0.00 C ATOM 558 SG CYS A 88 -10.753 -2.044 0.942 1.00 0.00 S ATOM 0 H CYS A 88 -12.065 -1.546 -1.809 1.00 0.00 H new ATOM 0 HA CYS A 88 -14.327 -2.075 -0.170 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -12.808 -3.278 1.159 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -12.150 -3.413 -0.460 1.00 0.00 H new ATOM 563 N TYR A 89 -12.617 0.591 0.472 1.00 0.00 N ATOM 564 CA TYR A 89 -12.541 1.783 1.309 1.00 0.00 C ATOM 565 C TYR A 89 -12.045 1.435 2.709 1.00 0.00 C ATOM 566 O TYR A 89 -12.682 1.774 3.706 1.00 0.00 O ATOM 567 CB TYR A 89 -13.910 2.460 1.394 1.00 0.00 C ATOM 568 CG TYR A 89 -14.211 3.366 0.221 1.00 0.00 C ATOM 569 CD1 TYR A 89 -13.382 4.438 -0.085 1.00 0.00 C ATOM 570 CD2 TYR A 89 -15.325 3.150 -0.581 1.00 0.00 C ATOM 571 CE1 TYR A 89 -13.654 5.269 -1.155 1.00 0.00 C ATOM 572 CE2 TYR A 89 -15.604 3.974 -1.654 1.00 0.00 C ATOM 573 CZ TYR A 89 -14.765 5.032 -1.937 1.00 0.00 C ATOM 574 OH TYR A 89 -15.040 5.856 -3.003 1.00 0.00 O ATOM 0 H TYR A 89 -12.079 0.648 -0.393 1.00 0.00 H new ATOM 0 HA TYR A 89 -11.830 2.472 0.853 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -14.682 1.693 1.458 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -13.962 3.042 2.314 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -12.510 4.625 0.524 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -15.984 2.323 -0.362 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -13.000 6.099 -1.378 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -16.474 3.791 -2.268 1.00 0.00 H new ATOM 0 HH TYR A 89 -15.857 5.551 -3.450 1.00 0.00 H new ATOM 584 N GLN A 90 -10.904 0.757 2.774 1.00 0.00 N ATOM 585 CA GLN A 90 -10.322 0.363 4.052 1.00 0.00 C ATOM 586 C GLN A 90 -8.938 0.977 4.233 1.00 0.00 C ATOM 587 O GLN A 90 -8.032 0.736 3.434 1.00 0.00 O ATOM 588 CB GLN A 90 -10.233 -1.161 4.147 1.00 0.00 C ATOM 589 CG GLN A 90 -9.491 -1.652 5.380 1.00 0.00 C ATOM 590 CD GLN A 90 -10.366 -1.675 6.618 1.00 0.00 C ATOM 591 OE1 GLN A 90 -11.213 -2.554 6.777 1.00 0.00 O ATOM 592 NE2 GLN A 90 -10.165 -0.705 7.503 1.00 0.00 N ATOM 0 H GLN A 90 -10.364 0.469 1.958 1.00 0.00 H new ATOM 0 HA GLN A 90 -10.970 0.733 4.847 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -11.241 -1.576 4.151 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -9.734 -1.544 3.257 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -9.107 -2.655 5.193 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -8.629 -1.009 5.561 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -9.452 0.003 7.330 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -10.724 -0.668 8.355 1.00 0.00 H new ATOM 601 N ARG A 91 -8.782 1.772 5.286 1.00 0.00 N ATOM 602 CA ARG A 91 -7.508 2.422 5.570 1.00 0.00 C ATOM 603 C ARG A 91 -6.461 1.401 6.002 1.00 0.00 C ATOM 604 O ARG A 91 -6.594 0.764 7.046 1.00 0.00 O ATOM 605 CB ARG A 91 -7.684 3.481 6.660 1.00 0.00 C ATOM 606 CG ARG A 91 -8.446 4.712 6.197 1.00 0.00 C ATOM 607 CD ARG A 91 -8.373 5.832 7.223 1.00 0.00 C ATOM 608 NE ARG A 91 -9.355 5.662 8.290 1.00 0.00 N ATOM 609 CZ ARG A 91 -9.791 6.658 9.053 1.00 0.00 C ATOM 610 NH1 ARG A 91 -9.334 7.889 8.868 1.00 0.00 N ATOM 611 NH2 ARG A 91 -10.686 6.425 10.004 1.00 0.00 N ATOM 0 H ARG A 91 -9.521 1.982 5.957 1.00 0.00 H new ATOM 0 HA ARG A 91 -7.163 2.905 4.656 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -8.209 3.036 7.505 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -6.701 3.786 7.020 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -8.036 5.059 5.248 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -9.489 4.449 6.017 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -7.372 5.865 7.653 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -8.538 6.789 6.728 1.00 0.00 H new ATOM 0 HE ARG A 91 -9.727 4.727 8.459 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -8.646 8.073 8.138 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -9.671 8.652 9.456 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -11.040 5.480 10.150 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -11.020 7.191 10.589 1.00 0.00 H new ATOM 625 N ASN A 92 -5.419 1.250 5.191 1.00 0.00 N ATOM 626 CA ASN A 92 -4.349 0.305 5.489 1.00 0.00 C ATOM 627 C ASN A 92 -3.026 1.033 5.712 1.00 0.00 C ATOM 628 O ASN A 92 -2.727 2.015 5.035 1.00 0.00 O ATOM 629 CB ASN A 92 -4.201 -0.706 4.350 1.00 0.00 C ATOM 630 CG ASN A 92 -5.532 -1.302 3.930 1.00 0.00 C ATOM 631 OD1 ASN A 92 -6.157 -2.047 4.685 1.00 0.00 O ATOM 632 ND2 ASN A 92 -5.970 -0.974 2.720 1.00 0.00 N ATOM 0 H ASN A 92 -5.293 1.770 4.323 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.611 -0.225 6.405 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -3.738 -0.218 3.493 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -3.530 -1.506 4.663 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -6.859 -1.343 2.382 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -5.418 -0.353 2.129 1.00 0.00 H new ATOM 639 N GLN A 93 -2.240 0.542 6.665 1.00 0.00 N ATOM 640 CA GLN A 93 -0.951 1.146 6.977 1.00 0.00 C ATOM 641 C GLN A 93 0.149 0.568 6.092 1.00 0.00 C ATOM 642 O GLN A 93 0.139 -0.619 5.767 1.00 0.00 O ATOM 643 CB GLN A 93 -0.604 0.927 8.450 1.00 0.00 C ATOM 644 CG GLN A 93 0.410 1.922 8.991 1.00 0.00 C ATOM 645 CD GLN A 93 1.841 1.503 8.720 1.00 0.00 C ATOM 646 OE1 GLN A 93 2.277 0.432 9.142 1.00 0.00 O ATOM 647 NE2 GLN A 93 2.582 2.348 8.013 1.00 0.00 N ATOM 0 H GLN A 93 -2.474 -0.272 7.234 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.024 2.216 6.784 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -1.516 0.992 9.043 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -0.213 -0.083 8.576 1.00 0.00 H new ATOM 0 HG2 GLN A 93 0.230 2.899 8.542 1.00 0.00 H new ATOM 0 HG3 GLN A 93 0.266 2.034 10.066 1.00 0.00 H new ATOM 0 HE21 GLN A 93 2.180 3.225 7.683 1.00 0.00 H new ATOM 0 HE22 GLN A 93 3.553 2.120 7.800 1.00 0.00 H new ATOM 656 N PHE A 94 1.096 1.416 5.704 1.00 0.00 N ATOM 657 CA PHE A 94 2.203 0.990 4.855 1.00 0.00 C ATOM 658 C PHE A 94 3.038 -0.082 5.548 1.00 0.00 C ATOM 659 O PHE A 94 3.183 -0.099 6.771 1.00 0.00 O ATOM 660 CB PHE A 94 3.086 2.186 4.493 1.00 0.00 C ATOM 661 CG PHE A 94 2.530 3.026 3.379 1.00 0.00 C ATOM 662 CD1 PHE A 94 2.289 2.474 2.132 1.00 0.00 C ATOM 663 CD2 PHE A 94 2.251 4.368 3.579 1.00 0.00 C ATOM 664 CE1 PHE A 94 1.777 3.243 1.104 1.00 0.00 C ATOM 665 CE2 PHE A 94 1.739 5.143 2.555 1.00 0.00 C ATOM 666 CZ PHE A 94 1.503 4.580 1.316 1.00 0.00 C ATOM 0 H PHE A 94 1.119 2.402 5.964 1.00 0.00 H new ATOM 0 HA PHE A 94 1.785 0.566 3.942 1.00 0.00 H new ATOM 0 HB2 PHE A 94 3.219 2.810 5.377 1.00 0.00 H new ATOM 0 HB3 PHE A 94 4.074 1.825 4.207 1.00 0.00 H new ATOM 0 HD1 PHE A 94 2.504 1.430 1.961 1.00 0.00 H new ATOM 0 HD2 PHE A 94 2.435 4.814 4.545 1.00 0.00 H new ATOM 0 HE1 PHE A 94 1.592 2.799 0.137 1.00 0.00 H new ATOM 0 HE2 PHE A 94 1.524 6.188 2.724 1.00 0.00 H new ATOM 0 HZ PHE A 94 1.105 5.184 0.514 1.00 0.00 H new ATOM 676 N PRO A 95 3.602 -1.000 4.749 1.00 0.00 N ATOM 677 CA PRO A 95 4.433 -2.094 5.263 1.00 0.00 C ATOM 678 C PRO A 95 5.770 -1.600 5.804 1.00 0.00 C ATOM 679 O PRO A 95 6.156 -0.446 5.616 1.00 0.00 O ATOM 680 CB PRO A 95 4.648 -2.983 4.036 1.00 0.00 C ATOM 681 CG PRO A 95 4.495 -2.065 2.872 1.00 0.00 C ATOM 682 CD PRO A 95 3.473 -1.042 3.283 1.00 0.00 C ATOM 0 HA PRO A 95 3.960 -2.607 6.100 1.00 0.00 H new ATOM 0 HB2 PRO A 95 5.636 -3.444 4.049 1.00 0.00 H new ATOM 0 HB3 PRO A 95 3.919 -3.792 4.001 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.444 -1.590 2.622 1.00 0.00 H new ATOM 0 HG3 PRO A 95 4.168 -2.609 1.986 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.675 -0.070 2.834 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.468 -1.332 2.976 1.00 0.00 H new ATOM 690 N PRO A 96 6.497 -2.493 6.492 1.00 0.00 N ATOM 691 CA PRO A 96 7.804 -2.171 7.073 1.00 0.00 C ATOM 692 C PRO A 96 8.878 -1.970 6.010 1.00 0.00 C ATOM 693 O PRO A 96 9.650 -1.013 6.067 1.00 0.00 O ATOM 694 CB PRO A 96 8.123 -3.399 7.930 1.00 0.00 C ATOM 695 CG PRO A 96 7.354 -4.510 7.302 1.00 0.00 C ATOM 696 CD PRO A 96 6.100 -3.887 6.755 1.00 0.00 C ATOM 0 HA PRO A 96 7.782 -1.237 7.634 1.00 0.00 H new ATOM 0 HB2 PRO A 96 9.192 -3.611 7.935 1.00 0.00 H new ATOM 0 HB3 PRO A 96 7.823 -3.247 8.967 1.00 0.00 H new ATOM 0 HG2 PRO A 96 7.932 -4.985 6.509 1.00 0.00 H new ATOM 0 HG3 PRO A 96 7.119 -5.284 8.033 1.00 0.00 H new ATOM 0 HD2 PRO A 96 5.766 -4.388 5.846 1.00 0.00 H new ATOM 0 HD3 PRO A 96 5.279 -3.943 7.470 1.00 0.00 H new ATOM 704 N SER A 97 8.921 -2.878 5.040 1.00 0.00 N ATOM 705 CA SER A 97 9.903 -2.801 3.965 1.00 0.00 C ATOM 706 C SER A 97 9.244 -2.375 2.656 1.00 0.00 C ATOM 707 O SER A 97 8.704 -3.202 1.922 1.00 0.00 O ATOM 708 CB SER A 97 10.598 -4.152 3.783 1.00 0.00 C ATOM 709 OG SER A 97 11.731 -4.261 4.627 1.00 0.00 O ATOM 0 H SER A 97 8.288 -3.675 4.977 1.00 0.00 H new ATOM 0 HA SER A 97 10.646 -2.052 4.238 1.00 0.00 H new ATOM 0 HB2 SER A 97 9.897 -4.957 4.004 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.903 -4.271 2.743 1.00 0.00 H new ATOM 0 HG SER A 97 12.156 -5.134 4.493 1.00 0.00 H new ATOM 715 N TYR A 98 9.294 -1.078 2.372 1.00 0.00 N ATOM 716 CA TYR A 98 8.700 -0.540 1.154 1.00 0.00 C ATOM 717 C TYR A 98 9.745 0.191 0.315 1.00 0.00 C ATOM 718 O TYR A 98 9.768 0.071 -0.909 1.00 0.00 O ATOM 719 CB TYR A 98 7.551 0.410 1.498 1.00 0.00 C ATOM 720 CG TYR A 98 7.996 1.660 2.224 1.00 0.00 C ATOM 721 CD1 TYR A 98 8.447 1.601 3.537 1.00 0.00 C ATOM 722 CD2 TYR A 98 7.963 2.899 1.598 1.00 0.00 C ATOM 723 CE1 TYR A 98 8.854 2.740 4.204 1.00 0.00 C ATOM 724 CE2 TYR A 98 8.369 4.044 2.257 1.00 0.00 C ATOM 725 CZ TYR A 98 8.813 3.959 3.560 1.00 0.00 C ATOM 726 OH TYR A 98 9.217 5.096 4.221 1.00 0.00 O ATOM 0 H TYR A 98 9.739 -0.380 2.968 1.00 0.00 H new ATOM 0 HA TYR A 98 8.311 -1.375 0.571 1.00 0.00 H new ATOM 0 HB2 TYR A 98 7.040 0.696 0.579 1.00 0.00 H new ATOM 0 HB3 TYR A 98 6.825 -0.120 2.115 1.00 0.00 H new ATOM 0 HD1 TYR A 98 8.480 0.648 4.045 1.00 0.00 H new ATOM 0 HD2 TYR A 98 7.614 2.969 0.578 1.00 0.00 H new ATOM 0 HE1 TYR A 98 9.202 2.676 5.224 1.00 0.00 H new ATOM 0 HE2 TYR A 98 8.339 5.000 1.755 1.00 0.00 H new ATOM 0 HH TYR A 98 9.127 5.870 3.626 1.00 0.00 H new ATOM 736 N ALA A 99 10.608 0.947 0.985 1.00 0.00 N ATOM 737 CA ALA A 99 11.657 1.695 0.304 1.00 0.00 C ATOM 738 C ALA A 99 12.231 0.897 -0.863 1.00 0.00 C ATOM 739 O ALA A 99 12.550 -0.283 -0.723 1.00 0.00 O ATOM 740 CB ALA A 99 12.760 2.069 1.283 1.00 0.00 C ATOM 0 H ALA A 99 10.601 1.058 1.999 1.00 0.00 H new ATOM 0 HA ALA A 99 11.216 2.608 -0.096 1.00 0.00 H new ATOM 0 HB1 ALA A 99 13.537 2.627 0.760 1.00 0.00 H new ATOM 0 HB2 ALA A 99 12.345 2.685 2.081 1.00 0.00 H new ATOM 0 HB3 ALA A 99 13.190 1.163 1.710 1.00 0.00 H new ATOM 746 N GLY A 100 12.358 1.550 -2.014 1.00 0.00 N ATOM 747 CA GLY A 100 12.893 0.885 -3.188 1.00 0.00 C ATOM 748 C GLY A 100 11.833 0.629 -4.242 1.00 0.00 C ATOM 749 O GLY A 100 12.070 0.836 -5.433 1.00 0.00 O ATOM 0 H GLY A 100 12.100 2.527 -2.155 1.00 0.00 H new ATOM 0 HA2 GLY A 100 13.688 1.495 -3.617 1.00 0.00 H new ATOM 0 HA3 GLY A 100 13.343 -0.063 -2.892 1.00 0.00 H new ATOM 753 N ILE A 101 10.664 0.176 -3.804 1.00 0.00 N ATOM 754 CA ILE A 101 9.565 -0.110 -4.719 1.00 0.00 C ATOM 755 C ILE A 101 9.383 1.018 -5.728 1.00 0.00 C ATOM 756 O ILE A 101 9.473 2.196 -5.381 1.00 0.00 O ATOM 757 CB ILE A 101 8.242 -0.324 -3.960 1.00 0.00 C ATOM 758 CG1 ILE A 101 8.379 -1.480 -2.967 1.00 0.00 C ATOM 759 CG2 ILE A 101 7.108 -0.590 -4.938 1.00 0.00 C ATOM 760 CD1 ILE A 101 7.450 -1.369 -1.779 1.00 0.00 C ATOM 0 H ILE A 101 10.453 -0.001 -2.822 1.00 0.00 H new ATOM 0 HA ILE A 101 9.824 -1.028 -5.247 1.00 0.00 H new ATOM 0 HB ILE A 101 8.009 0.583 -3.402 1.00 0.00 H new ATOM 0 HG12 ILE A 101 8.183 -2.419 -3.485 1.00 0.00 H new ATOM 0 HG13 ILE A 101 9.408 -1.522 -2.611 1.00 0.00 H new ATOM 0 HG21 ILE A 101 6.180 -0.739 -4.387 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.999 0.262 -5.609 1.00 0.00 H new ATOM 0 HG23 ILE A 101 7.332 -1.484 -5.520 1.00 0.00 H new ATOM 0 HD11 ILE A 101 7.602 -2.222 -1.117 1.00 0.00 H new ATOM 0 HD12 ILE A 101 7.661 -0.447 -1.237 1.00 0.00 H new ATOM 0 HD13 ILE A 101 6.416 -1.358 -2.125 1.00 0.00 H new ATOM 772 N SER A 102 9.123 0.650 -6.979 1.00 0.00 N ATOM 773 CA SER A 102 8.930 1.632 -8.040 1.00 0.00 C ATOM 774 C SER A 102 7.572 2.315 -7.907 1.00 0.00 C ATOM 775 O SER A 102 7.492 3.533 -7.755 1.00 0.00 O ATOM 776 CB SER A 102 9.044 0.961 -9.410 1.00 0.00 C ATOM 777 OG SER A 102 10.388 0.621 -9.701 1.00 0.00 O ATOM 0 H SER A 102 9.041 -0.320 -7.282 1.00 0.00 H new ATOM 0 HA SER A 102 9.709 2.389 -7.948 1.00 0.00 H new ATOM 0 HB2 SER A 102 8.426 0.064 -9.431 1.00 0.00 H new ATOM 0 HB3 SER A 102 8.660 1.631 -10.180 1.00 0.00 H new ATOM 0 HG SER A 102 10.434 0.192 -10.581 1.00 0.00 H new ATOM 783 N GLU A 103 6.508 1.520 -7.965 1.00 0.00 N ATOM 784 CA GLU A 103 5.154 2.048 -7.852 1.00 0.00 C ATOM 785 C GLU A 103 5.000 2.883 -6.585 1.00 0.00 C ATOM 786 O GLU A 103 4.335 3.920 -6.587 1.00 0.00 O ATOM 787 CB GLU A 103 4.136 0.906 -7.851 1.00 0.00 C ATOM 788 CG GLU A 103 4.377 -0.123 -6.759 1.00 0.00 C ATOM 789 CD GLU A 103 3.762 -1.471 -7.082 1.00 0.00 C ATOM 790 OE1 GLU A 103 4.039 -2.001 -8.178 1.00 0.00 O ATOM 791 OE2 GLU A 103 3.004 -1.995 -6.240 1.00 0.00 O ATOM 0 H GLU A 103 6.558 0.509 -8.089 1.00 0.00 H new ATOM 0 HA GLU A 103 4.968 2.689 -8.714 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.136 1.322 -7.732 1.00 0.00 H new ATOM 0 HB3 GLU A 103 4.161 0.408 -8.820 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.450 -0.244 -6.609 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.963 0.245 -5.820 1.00 0.00 H new ATOM 798 N LEU A 104 5.618 2.424 -5.502 1.00 0.00 N ATOM 799 CA LEU A 104 5.550 3.127 -4.226 1.00 0.00 C ATOM 800 C LEU A 104 6.794 3.983 -4.008 1.00 0.00 C ATOM 801 O LEU A 104 7.733 3.943 -4.802 1.00 0.00 O ATOM 802 CB LEU A 104 5.397 2.128 -3.078 1.00 0.00 C ATOM 803 CG LEU A 104 3.996 1.551 -2.872 1.00 0.00 C ATOM 804 CD1 LEU A 104 4.073 0.191 -2.196 1.00 0.00 C ATOM 805 CD2 LEU A 104 3.141 2.508 -2.053 1.00 0.00 C ATOM 0 H LEU A 104 6.172 1.568 -5.482 1.00 0.00 H new ATOM 0 HA LEU A 104 4.680 3.783 -4.247 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.087 1.302 -3.248 1.00 0.00 H new ATOM 0 HB3 LEU A 104 5.706 2.617 -2.154 1.00 0.00 H new ATOM 0 HG LEU A 104 3.529 1.422 -3.849 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.067 -0.204 -2.058 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.649 -0.493 -2.819 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.559 0.294 -1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.147 2.082 -1.916 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.605 2.668 -1.080 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.058 3.461 -2.576 1.00 0.00 H new ATOM 817 N ASN A 105 6.793 4.755 -2.927 1.00 0.00 N ATOM 818 CA ASN A 105 7.922 5.619 -2.604 1.00 0.00 C ATOM 819 C ASN A 105 8.296 6.494 -3.796 1.00 0.00 C ATOM 820 O ASN A 105 9.475 6.740 -4.052 1.00 0.00 O ATOM 821 CB ASN A 105 9.128 4.779 -2.175 1.00 0.00 C ATOM 822 CG ASN A 105 10.250 5.626 -1.607 1.00 0.00 C ATOM 823 OD1 ASN A 105 11.330 5.717 -2.190 1.00 0.00 O ATOM 824 ND2 ASN A 105 9.998 6.251 -0.462 1.00 0.00 N ATOM 0 H ASN A 105 6.023 4.800 -2.260 1.00 0.00 H new ATOM 0 HA ASN A 105 7.627 6.267 -1.779 1.00 0.00 H new ATOM 0 HB2 ASN A 105 8.813 4.050 -1.428 1.00 0.00 H new ATOM 0 HB3 ASN A 105 9.499 4.217 -3.032 1.00 0.00 H new ATOM 0 HD21 ASN A 105 10.715 6.835 -0.031 1.00 0.00 H new ATOM 0 HD22 ASN A 105 9.088 6.147 -0.014 1.00 0.00 H new ATOM 831 N GLN A 106 7.284 6.961 -4.520 1.00 0.00 N ATOM 832 CA GLN A 106 7.507 7.809 -5.686 1.00 0.00 C ATOM 833 C GLN A 106 8.205 9.106 -5.290 1.00 0.00 C ATOM 834 O GLN A 106 8.035 9.619 -4.183 1.00 0.00 O ATOM 835 CB GLN A 106 6.179 8.122 -6.377 1.00 0.00 C ATOM 836 CG GLN A 106 5.283 9.055 -5.580 1.00 0.00 C ATOM 837 CD GLN A 106 5.651 10.515 -5.763 1.00 0.00 C ATOM 838 OE1 GLN A 106 6.255 11.130 -4.884 1.00 0.00 O ATOM 839 NE2 GLN A 106 5.288 11.077 -6.910 1.00 0.00 N ATOM 0 H GLN A 106 6.303 6.767 -4.320 1.00 0.00 H new ATOM 0 HA GLN A 106 8.151 7.268 -6.379 1.00 0.00 H new ATOM 0 HB2 GLN A 106 6.382 8.570 -7.350 1.00 0.00 H new ATOM 0 HB3 GLN A 106 5.646 7.189 -6.561 1.00 0.00 H new ATOM 0 HG2 GLN A 106 4.247 8.905 -5.883 1.00 0.00 H new ATOM 0 HG3 GLN A 106 5.346 8.798 -4.523 1.00 0.00 H new ATOM 0 HE21 GLN A 106 4.789 10.529 -7.611 1.00 0.00 H new ATOM 0 HE22 GLN A 106 5.509 12.056 -7.090 1.00 0.00 H new ATOM 848 N PRO A 107 9.011 9.651 -6.213 1.00 0.00 N ATOM 849 CA PRO A 107 9.751 10.895 -5.984 1.00 0.00 C ATOM 850 C PRO A 107 8.835 12.112 -5.924 1.00 0.00 C ATOM 851 O PRO A 107 7.989 12.307 -6.796 1.00 0.00 O ATOM 852 CB PRO A 107 10.680 10.984 -7.197 1.00 0.00 C ATOM 853 CG PRO A 107 9.990 10.203 -8.261 1.00 0.00 C ATOM 854 CD PRO A 107 9.261 9.094 -7.554 1.00 0.00 C ATOM 0 HA PRO A 107 10.275 10.887 -5.028 1.00 0.00 H new ATOM 0 HB2 PRO A 107 10.834 12.019 -7.502 1.00 0.00 H new ATOM 0 HB3 PRO A 107 11.663 10.568 -6.975 1.00 0.00 H new ATOM 0 HG2 PRO A 107 9.297 10.832 -8.819 1.00 0.00 H new ATOM 0 HG3 PRO A 107 10.707 9.804 -8.979 1.00 0.00 H new ATOM 0 HD2 PRO A 107 8.332 8.836 -8.062 1.00 0.00 H new ATOM 0 HD3 PRO A 107 9.861 8.185 -7.506 1.00 0.00 H new ATOM 862 N ALA A 108 9.008 12.928 -4.889 1.00 0.00 N ATOM 863 CA ALA A 108 8.198 14.128 -4.718 1.00 0.00 C ATOM 864 C ALA A 108 8.452 15.127 -5.842 1.00 0.00 C ATOM 865 O ALA A 108 8.194 16.321 -5.693 1.00 0.00 O ATOM 866 CB ALA A 108 8.482 14.767 -3.367 1.00 0.00 C ATOM 0 H ALA A 108 9.702 12.780 -4.156 1.00 0.00 H new ATOM 0 HA ALA A 108 7.148 13.837 -4.757 1.00 0.00 H new ATOM 0 HB1 ALA A 108 7.871 15.662 -3.252 1.00 0.00 H new ATOM 0 HB2 ALA A 108 8.243 14.060 -2.573 1.00 0.00 H new ATOM 0 HB3 ALA A 108 9.536 15.038 -3.307 1.00 0.00 H new TER 872 ALA A 108 HETATM 873 ZN ZN A 200 -9.387 -2.699 -0.855 1.00 0.00 ZN