USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 723 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 27 GLN : amide:sc= 0.174 K(o=-1,f=-2.2!) USER MOD Set 1.2: A 32 TYR OH : rot -30:sc= 0.153 USER MOD Set 1.3: A 103 ASN : amide:sc= -1.33! K(o=-1!,f=-2.2) USER MOD Set 2.1: A 36 GLN : amide:sc= -10.7! C(o=-17!,f=-22!) USER MOD Set 2.2: A 48 ASN : amide:sc= -6.02! C(o=-17!,f=-25!) USER MOD Set 3.1: A 37 CYS SG : rot -139:sc= -7.66! USER MOD Set 3.2: A 47 CYS SG : rot -51:sc= -4.98! USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.312 USER MOD Single : A 8 THR OG1 : rot 180:sc= -3.72! USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 92:sc= -1.27! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -160:sc= -0.089 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -140:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0126 X(o=-0.013,f=-0.5) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 56:sc= -0.961 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 70:sc= -2.77! USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0363 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0103 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= -0.125 USER MOD Single : A 111 SER OG : rot 180:sc= -0.0535 USER MOD Single : A 113 ASN : amide:sc= -3.93! C(o=-3.9!,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 11 N ALA A 2 2.909 13.103 -4.735 1.00 0.00 N ATOM 12 CA ALA A 2 3.532 11.985 -4.056 1.00 0.00 C ATOM 13 C ALA A 2 4.873 12.415 -3.478 1.00 0.00 C ATOM 14 O ALA A 2 5.779 12.788 -4.219 1.00 0.00 O ATOM 15 CB ALA A 2 3.712 10.830 -5.037 1.00 0.00 C ATOM 0 HA ALA A 2 2.895 11.652 -3.237 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.181 9.989 -4.526 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.739 10.525 -5.422 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.345 11.151 -5.864 1.00 0.00 H new ATOM 21 N PRO A 3 4.997 12.362 -2.149 1.00 0.00 N ATOM 22 CA PRO A 3 6.195 12.731 -1.427 1.00 0.00 C ATOM 23 C PRO A 3 7.266 11.670 -1.639 1.00 0.00 C ATOM 24 O PRO A 3 7.048 10.702 -2.365 1.00 0.00 O ATOM 25 CB PRO A 3 5.766 12.790 0.038 1.00 0.00 C ATOM 26 CG PRO A 3 4.641 11.758 0.103 1.00 0.00 C ATOM 27 CD PRO A 3 3.951 11.929 -1.248 1.00 0.00 C ATOM 0 HA PRO A 3 6.616 13.680 -1.760 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.586 12.537 0.710 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.419 13.785 0.318 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.026 10.747 0.236 1.00 0.00 H new ATOM 0 HG3 PRO A 3 3.961 11.952 0.933 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.503 10.994 -1.584 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.149 12.665 -1.191 1.00 0.00 H new ATOM 35 N THR A 4 8.426 11.855 -1.006 1.00 0.00 N ATOM 36 CA THR A 4 9.520 10.913 -1.132 1.00 0.00 C ATOM 37 C THR A 4 9.559 9.996 0.082 1.00 0.00 C ATOM 38 O THR A 4 9.873 10.436 1.186 1.00 0.00 O ATOM 39 CB THR A 4 10.834 11.677 -1.274 1.00 0.00 C ATOM 40 OG1 THR A 4 11.033 12.021 -2.627 1.00 0.00 O ATOM 41 CG2 THR A 4 11.987 10.799 -0.797 1.00 0.00 C ATOM 0 H THR A 4 8.624 12.653 -0.402 1.00 0.00 H new ATOM 0 HA THR A 4 9.373 10.298 -2.020 1.00 0.00 H new ATOM 0 HB THR A 4 10.795 12.584 -0.670 1.00 0.00 H new ATOM 0 HG1 THR A 4 11.876 12.513 -2.719 1.00 0.00 H new ATOM 0 HG21 THR A 4 12.925 11.344 -0.898 1.00 0.00 H new ATOM 0 HG22 THR A 4 11.833 10.533 0.249 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.027 9.892 -1.400 1.00 0.00 H new ATOM 49 N ALA A 5 9.238 8.717 -0.124 1.00 0.00 N ATOM 50 CA ALA A 5 9.236 7.746 0.951 1.00 0.00 C ATOM 51 C ALA A 5 10.107 6.557 0.573 1.00 0.00 C ATOM 52 O ALA A 5 10.350 6.313 -0.607 1.00 0.00 O ATOM 53 CB ALA A 5 7.804 7.300 1.230 1.00 0.00 C ATOM 0 H ALA A 5 8.976 8.337 -1.033 1.00 0.00 H new ATOM 0 HA ALA A 5 9.644 8.198 1.855 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.802 6.569 2.039 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.204 8.163 1.519 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.382 6.849 0.332 1.00 0.00 H new ATOM 59 N THR A 6 10.578 5.815 1.578 1.00 0.00 N ATOM 60 CA THR A 6 11.418 4.658 1.341 1.00 0.00 C ATOM 61 C THR A 6 10.773 3.417 1.943 1.00 0.00 C ATOM 62 O THR A 6 10.547 3.355 3.150 1.00 0.00 O ATOM 63 CB THR A 6 12.797 4.899 1.948 1.00 0.00 C ATOM 64 OG1 THR A 6 12.660 5.611 3.157 1.00 0.00 O ATOM 65 CG2 THR A 6 13.647 5.709 0.974 1.00 0.00 C ATOM 0 H THR A 6 10.387 6.002 2.562 1.00 0.00 H new ATOM 0 HA THR A 6 11.529 4.500 0.268 1.00 0.00 H new ATOM 0 HB THR A 6 13.281 3.942 2.143 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.545 5.765 3.548 1.00 0.00 H new ATOM 0 HG21 THR A 6 14.632 5.881 1.407 1.00 0.00 H new ATOM 0 HG22 THR A 6 13.753 5.159 0.039 1.00 0.00 H new ATOM 0 HG23 THR A 6 13.164 6.666 0.779 1.00 0.00 H new ATOM 73 N VAL A 7 10.478 2.427 1.098 1.00 0.00 N ATOM 74 CA VAL A 7 9.862 1.195 1.548 1.00 0.00 C ATOM 75 C VAL A 7 10.823 0.034 1.338 1.00 0.00 C ATOM 76 O VAL A 7 11.593 0.027 0.380 1.00 0.00 O ATOM 77 CB VAL A 7 8.562 0.968 0.781 1.00 0.00 C ATOM 78 CG1 VAL A 7 8.131 -0.488 0.932 1.00 0.00 C ATOM 79 CG2 VAL A 7 7.475 1.881 1.341 1.00 0.00 C ATOM 0 H VAL A 7 10.660 2.463 0.095 1.00 0.00 H new ATOM 0 HA VAL A 7 9.633 1.264 2.611 1.00 0.00 H new ATOM 0 HB VAL A 7 8.718 1.194 -0.274 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.203 -0.651 0.385 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.907 -1.141 0.533 1.00 0.00 H new ATOM 0 HG13 VAL A 7 7.975 -0.714 1.987 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.546 1.719 0.794 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.318 1.656 2.396 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.783 2.921 1.234 1.00 0.00 H new ATOM 89 N THR A 8 10.777 -0.952 2.237 1.00 0.00 N ATOM 90 CA THR A 8 11.642 -2.110 2.142 1.00 0.00 C ATOM 91 C THR A 8 11.239 -2.962 0.947 1.00 0.00 C ATOM 92 O THR A 8 10.159 -2.782 0.388 1.00 0.00 O ATOM 93 CB THR A 8 11.555 -2.917 3.435 1.00 0.00 C ATOM 94 OG1 THR A 8 12.849 -3.314 3.829 1.00 0.00 O ATOM 95 CG2 THR A 8 10.691 -4.154 3.206 1.00 0.00 C ATOM 0 H THR A 8 10.145 -0.963 3.038 1.00 0.00 H new ATOM 0 HA THR A 8 12.673 -1.786 1.999 1.00 0.00 H new ATOM 0 HB THR A 8 11.109 -2.303 4.217 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.794 -3.831 4.660 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.629 -4.730 4.129 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.690 -3.848 2.901 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.136 -4.769 2.424 1.00 0.00 H new ATOM 103 N PRO A 9 12.111 -3.894 0.556 1.00 0.00 N ATOM 104 CA PRO A 9 11.899 -4.795 -0.556 1.00 0.00 C ATOM 105 C PRO A 9 10.851 -5.833 -0.178 1.00 0.00 C ATOM 106 O PRO A 9 11.052 -6.611 0.752 1.00 0.00 O ATOM 107 CB PRO A 9 13.257 -5.450 -0.794 1.00 0.00 C ATOM 108 CG PRO A 9 13.881 -5.453 0.601 1.00 0.00 C ATOM 109 CD PRO A 9 13.389 -4.133 1.191 1.00 0.00 C ATOM 0 HA PRO A 9 11.537 -4.288 -1.451 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.155 -6.459 -1.193 1.00 0.00 H new ATOM 0 HB3 PRO A 9 13.859 -4.885 -1.505 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.551 -6.308 1.191 1.00 0.00 H new ATOM 0 HG3 PRO A 9 14.969 -5.497 0.558 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.286 -4.199 2.274 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.089 -3.323 0.986 1.00 0.00 H new ATOM 117 N SER A 10 9.730 -5.844 -0.903 1.00 0.00 N ATOM 118 CA SER A 10 8.660 -6.784 -0.640 1.00 0.00 C ATOM 119 C SER A 10 8.300 -7.528 -1.919 1.00 0.00 C ATOM 120 O SER A 10 7.276 -8.205 -1.979 1.00 0.00 O ATOM 121 CB SER A 10 7.449 -6.035 -0.091 1.00 0.00 C ATOM 122 OG SER A 10 7.689 -4.647 -0.152 1.00 0.00 O ATOM 0 H SER A 10 9.548 -5.206 -1.678 1.00 0.00 H new ATOM 0 HA SER A 10 8.986 -7.514 0.101 1.00 0.00 H new ATOM 0 HB2 SER A 10 6.559 -6.287 -0.668 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.257 -6.337 0.939 1.00 0.00 H new ATOM 0 HG SER A 10 6.911 -4.165 0.199 1.00 0.00 H new ATOM 128 N SER A 11 9.147 -7.401 -2.943 1.00 0.00 N ATOM 129 CA SER A 11 8.914 -8.062 -4.211 1.00 0.00 C ATOM 130 C SER A 11 9.513 -9.462 -4.182 1.00 0.00 C ATOM 131 O SER A 11 10.732 -9.618 -4.167 1.00 0.00 O ATOM 132 CB SER A 11 9.530 -7.234 -5.336 1.00 0.00 C ATOM 133 OG SER A 11 8.984 -5.935 -5.315 1.00 0.00 O ATOM 0 H SER A 11 10.000 -6.843 -2.910 1.00 0.00 H new ATOM 0 HA SER A 11 7.842 -8.151 -4.387 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.612 -7.187 -5.217 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.335 -7.707 -6.299 1.00 0.00 H new ATOM 0 HG SER A 11 9.380 -5.402 -6.036 1.00 0.00 H new ATOM 139 N GLY A 12 8.651 -10.482 -4.175 1.00 0.00 N ATOM 140 CA GLY A 12 9.103 -11.859 -4.148 1.00 0.00 C ATOM 141 C GLY A 12 9.079 -12.394 -2.723 1.00 0.00 C ATOM 142 O GLY A 12 9.664 -13.437 -2.440 1.00 0.00 O ATOM 0 H GLY A 12 7.637 -10.371 -4.188 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.464 -12.471 -4.785 1.00 0.00 H new ATOM 0 HA3 GLY A 12 10.113 -11.925 -4.552 1.00 0.00 H new ATOM 146 N LEU A 13 8.401 -11.675 -1.826 1.00 0.00 N ATOM 147 CA LEU A 13 8.304 -12.080 -0.437 1.00 0.00 C ATOM 148 C LEU A 13 6.914 -12.631 -0.155 1.00 0.00 C ATOM 149 O LEU A 13 5.914 -12.024 -0.534 1.00 0.00 O ATOM 150 CB LEU A 13 8.604 -10.884 0.462 1.00 0.00 C ATOM 151 CG LEU A 13 9.639 -9.988 -0.212 1.00 0.00 C ATOM 152 CD1 LEU A 13 10.345 -9.142 0.844 1.00 0.00 C ATOM 153 CD2 LEU A 13 10.664 -10.853 -0.939 1.00 0.00 C ATOM 0 H LEU A 13 7.912 -10.807 -2.046 1.00 0.00 H new ATOM 0 HA LEU A 13 9.032 -12.865 -0.232 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.690 -10.322 0.654 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.977 -11.226 1.428 1.00 0.00 H new ATOM 0 HG LEU A 13 9.142 -9.334 -0.928 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.084 -8.502 0.363 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.613 -8.524 1.364 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.842 -9.795 1.561 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.404 -10.213 -1.421 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.161 -11.507 -0.223 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.160 -11.457 -1.694 1.00 0.00 H new ATOM 165 N SER A 14 6.852 -13.785 0.512 1.00 0.00 N ATOM 166 CA SER A 14 5.587 -14.410 0.842 1.00 0.00 C ATOM 167 C SER A 14 5.127 -13.950 2.218 1.00 0.00 C ATOM 168 O SER A 14 5.806 -13.161 2.871 1.00 0.00 O ATOM 169 CB SER A 14 5.744 -15.927 0.803 1.00 0.00 C ATOM 170 OG SER A 14 6.286 -16.311 -0.441 1.00 0.00 O ATOM 0 H SER A 14 7.672 -14.301 0.832 1.00 0.00 H new ATOM 0 HA SER A 14 4.832 -14.118 0.112 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.395 -16.257 1.613 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.777 -16.408 0.955 1.00 0.00 H new ATOM 0 HG SER A 14 6.389 -17.285 -0.466 1.00 0.00 H new ATOM 176 N ASP A 15 3.969 -14.447 2.659 1.00 0.00 N ATOM 177 CA ASP A 15 3.425 -14.086 3.952 1.00 0.00 C ATOM 178 C ASP A 15 4.526 -14.121 5.002 1.00 0.00 C ATOM 179 O ASP A 15 5.498 -14.859 4.859 1.00 0.00 O ATOM 180 CB ASP A 15 2.300 -15.051 4.317 1.00 0.00 C ATOM 181 CG ASP A 15 2.782 -16.493 4.268 1.00 0.00 C ATOM 182 OD1 ASP A 15 2.878 -17.022 3.139 1.00 0.00 O ATOM 183 OD2 ASP A 15 3.047 -17.040 5.360 1.00 0.00 O ATOM 0 H ASP A 15 3.394 -15.103 2.130 1.00 0.00 H new ATOM 0 HA ASP A 15 3.020 -13.075 3.911 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.929 -14.822 5.316 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.465 -14.919 3.629 1.00 0.00 H new ATOM 188 N GLY A 16 4.374 -13.319 6.059 1.00 0.00 N ATOM 189 CA GLY A 16 5.358 -13.266 7.122 1.00 0.00 C ATOM 190 C GLY A 16 6.337 -12.127 6.878 1.00 0.00 C ATOM 191 O GLY A 16 6.962 -11.632 7.812 1.00 0.00 O ATOM 0 H GLY A 16 3.575 -12.700 6.194 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.860 -13.127 8.082 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.896 -14.212 7.176 1.00 0.00 H new ATOM 195 N THR A 17 6.469 -11.710 5.616 1.00 0.00 N ATOM 196 CA THR A 17 7.369 -10.632 5.261 1.00 0.00 C ATOM 197 C THR A 17 6.841 -9.314 5.806 1.00 0.00 C ATOM 198 O THR A 17 5.632 -9.124 5.918 1.00 0.00 O ATOM 199 CB THR A 17 7.512 -10.571 3.743 1.00 0.00 C ATOM 200 OG1 THR A 17 8.205 -11.712 3.289 1.00 0.00 O ATOM 201 CG2 THR A 17 8.291 -9.316 3.355 1.00 0.00 C ATOM 0 H THR A 17 5.959 -12.109 4.828 1.00 0.00 H new ATOM 0 HA THR A 17 8.350 -10.814 5.700 1.00 0.00 H new ATOM 0 HB THR A 17 6.523 -10.541 3.287 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.562 -12.416 3.062 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.393 -9.272 2.271 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.756 -8.433 3.705 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.280 -9.346 3.812 1.00 0.00 H new ATOM 209 N VAL A 18 7.753 -8.400 6.146 1.00 0.00 N ATOM 210 CA VAL A 18 7.378 -7.105 6.678 1.00 0.00 C ATOM 211 C VAL A 18 8.015 -6.002 5.844 1.00 0.00 C ATOM 212 O VAL A 18 9.237 -5.882 5.801 1.00 0.00 O ATOM 213 CB VAL A 18 7.821 -7.006 8.135 1.00 0.00 C ATOM 214 CG1 VAL A 18 9.332 -7.198 8.222 1.00 0.00 C ATOM 215 CG2 VAL A 18 7.449 -5.633 8.687 1.00 0.00 C ATOM 0 H VAL A 18 8.759 -8.542 6.058 1.00 0.00 H new ATOM 0 HA VAL A 18 6.295 -6.988 6.633 1.00 0.00 H new ATOM 0 HB VAL A 18 7.323 -7.780 8.720 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.648 -7.127 9.263 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.597 -8.179 7.828 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.831 -6.425 7.638 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.765 -5.561 9.728 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.946 -4.859 8.103 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.369 -5.496 8.626 1.00 0.00 H new ATOM 225 N VAL A 19 7.182 -5.196 5.181 1.00 0.00 N ATOM 226 CA VAL A 19 7.666 -4.109 4.354 1.00 0.00 C ATOM 227 C VAL A 19 7.747 -2.832 5.178 1.00 0.00 C ATOM 228 O VAL A 19 7.020 -2.676 6.157 1.00 0.00 O ATOM 229 CB VAL A 19 6.734 -3.925 3.160 1.00 0.00 C ATOM 230 CG1 VAL A 19 5.287 -3.892 3.645 1.00 0.00 C ATOM 231 CG2 VAL A 19 7.065 -2.613 2.455 1.00 0.00 C ATOM 0 H VAL A 19 6.166 -5.284 5.207 1.00 0.00 H new ATOM 0 HA VAL A 19 8.664 -4.344 3.985 1.00 0.00 H new ATOM 0 HB VAL A 19 6.865 -4.754 2.465 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.620 -3.761 2.793 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.051 -4.829 4.149 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.155 -3.063 4.340 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.400 -2.481 1.602 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.934 -1.783 3.150 1.00 0.00 H new ATOM 0 HG23 VAL A 19 8.098 -2.636 2.109 1.00 0.00 H new ATOM 241 N LYS A 20 8.634 -1.917 4.780 1.00 0.00 N ATOM 242 CA LYS A 20 8.802 -0.661 5.482 1.00 0.00 C ATOM 243 C LYS A 20 8.259 0.482 4.637 1.00 0.00 C ATOM 244 O LYS A 20 8.316 0.432 3.410 1.00 0.00 O ATOM 245 CB LYS A 20 10.281 -0.448 5.794 1.00 0.00 C ATOM 246 CG LYS A 20 10.420 0.269 7.134 1.00 0.00 C ATOM 247 CD LYS A 20 10.271 1.773 6.925 1.00 0.00 C ATOM 248 CE LYS A 20 11.634 2.444 7.062 1.00 0.00 C ATOM 249 NZ LYS A 20 11.896 2.826 8.458 1.00 0.00 N ATOM 0 H LYS A 20 9.245 -2.032 3.971 1.00 0.00 H new ATOM 0 HA LYS A 20 8.246 -0.688 6.419 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.798 -1.407 5.827 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.749 0.140 5.005 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.662 -0.089 7.830 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.390 0.047 7.578 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.853 1.974 5.939 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.576 2.185 7.656 1.00 0.00 H new ATOM 0 HE2 LYS A 20 12.414 1.766 6.714 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.674 3.328 6.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.829 3.280 8.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.164 3.491 8.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.881 1.977 9.059 1.00 0.00 H new ATOM 263 N VAL A 21 7.731 1.516 5.297 1.00 0.00 N ATOM 264 CA VAL A 21 7.181 2.664 4.607 1.00 0.00 C ATOM 265 C VAL A 21 7.572 3.941 5.338 1.00 0.00 C ATOM 266 O VAL A 21 7.037 4.236 6.404 1.00 0.00 O ATOM 267 CB VAL A 21 5.663 2.530 4.526 1.00 0.00 C ATOM 268 CG1 VAL A 21 5.197 2.852 3.109 1.00 0.00 C ATOM 269 CG2 VAL A 21 5.259 1.102 4.883 1.00 0.00 C ATOM 0 H VAL A 21 7.677 1.572 6.314 1.00 0.00 H new ATOM 0 HA VAL A 21 7.582 2.711 3.595 1.00 0.00 H new ATOM 0 HB VAL A 21 5.200 3.225 5.226 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.113 2.756 3.052 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.485 3.872 2.854 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.660 2.158 2.407 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.175 1.005 4.825 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.723 0.407 4.183 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.590 0.873 5.896 1.00 0.00 H new ATOM 279 N ALA A 22 8.508 4.698 4.761 1.00 0.00 N ATOM 280 CA ALA A 22 8.965 5.936 5.360 1.00 0.00 C ATOM 281 C ALA A 22 8.801 7.079 4.368 1.00 0.00 C ATOM 282 O ALA A 22 9.425 7.079 3.310 1.00 0.00 O ATOM 283 CB ALA A 22 10.425 5.788 5.778 1.00 0.00 C ATOM 0 H ALA A 22 8.960 4.467 3.877 1.00 0.00 H new ATOM 0 HA ALA A 22 8.368 6.160 6.244 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.771 6.718 6.229 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.516 4.978 6.502 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.033 5.562 4.902 1.00 0.00 H new ATOM 289 N GLY A 23 7.959 8.056 4.713 1.00 0.00 N ATOM 290 CA GLY A 23 7.721 9.195 3.850 1.00 0.00 C ATOM 291 C GLY A 23 8.786 10.259 4.075 1.00 0.00 C ATOM 292 O GLY A 23 9.324 10.380 5.174 1.00 0.00 O ATOM 0 H GLY A 23 7.434 8.073 5.587 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.729 8.878 2.807 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.733 9.611 4.049 1.00 0.00 H new ATOM 296 N ALA A 24 9.090 11.031 3.029 1.00 0.00 N ATOM 297 CA ALA A 24 10.089 12.078 3.116 1.00 0.00 C ATOM 298 C ALA A 24 9.710 13.229 2.196 1.00 0.00 C ATOM 299 O ALA A 24 9.775 13.097 0.975 1.00 0.00 O ATOM 300 CB ALA A 24 11.454 11.510 2.739 1.00 0.00 C ATOM 0 H ALA A 24 8.652 10.944 2.112 1.00 0.00 H new ATOM 0 HA ALA A 24 10.138 12.456 4.137 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.206 12.296 2.804 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.714 10.702 3.423 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.419 11.125 1.720 1.00 0.00 H new ATOM 306 N GLY A 25 9.314 14.361 2.782 1.00 0.00 N ATOM 307 CA GLY A 25 8.928 15.524 2.009 1.00 0.00 C ATOM 308 C GLY A 25 7.413 15.596 1.884 1.00 0.00 C ATOM 309 O GLY A 25 6.890 16.321 1.040 1.00 0.00 O ATOM 0 H GLY A 25 9.255 14.488 3.792 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.304 16.428 2.488 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.380 15.477 1.018 1.00 0.00 H new ATOM 313 N LEU A 26 6.707 14.840 2.728 1.00 0.00 N ATOM 314 CA LEU A 26 5.258 14.821 2.710 1.00 0.00 C ATOM 315 C LEU A 26 4.715 15.888 3.650 1.00 0.00 C ATOM 316 O LEU A 26 5.475 16.518 4.382 1.00 0.00 O ATOM 317 CB LEU A 26 4.763 13.437 3.119 1.00 0.00 C ATOM 318 CG LEU A 26 5.948 12.481 3.213 1.00 0.00 C ATOM 319 CD1 LEU A 26 6.625 12.642 4.571 1.00 0.00 C ATOM 320 CD2 LEU A 26 5.456 11.044 3.057 1.00 0.00 C ATOM 0 H LEU A 26 7.126 14.233 3.433 1.00 0.00 H new ATOM 0 HA LEU A 26 4.901 15.037 1.703 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.249 13.492 4.079 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.041 13.068 2.391 1.00 0.00 H new ATOM 0 HG LEU A 26 6.662 12.709 2.422 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.472 11.959 4.639 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.976 13.668 4.683 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.911 12.414 5.363 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.302 10.360 3.124 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.742 10.816 3.848 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.972 10.928 2.087 1.00 0.00 H new ATOM 332 N GLN A 27 3.395 16.089 3.629 1.00 0.00 N ATOM 333 CA GLN A 27 2.759 17.077 4.477 1.00 0.00 C ATOM 334 C GLN A 27 3.162 16.849 5.927 1.00 0.00 C ATOM 335 O GLN A 27 2.916 15.780 6.481 1.00 0.00 O ATOM 336 CB GLN A 27 1.245 16.984 4.315 1.00 0.00 C ATOM 337 CG GLN A 27 0.841 17.549 2.956 1.00 0.00 C ATOM 338 CD GLN A 27 0.594 16.429 1.955 1.00 0.00 C ATOM 339 OE1 GLN A 27 1.320 16.302 0.972 1.00 0.00 O ATOM 340 NE2 GLN A 27 -0.435 15.617 2.207 1.00 0.00 N ATOM 0 H GLN A 27 2.751 15.574 3.028 1.00 0.00 H new ATOM 0 HA GLN A 27 3.082 18.076 4.185 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.923 15.946 4.399 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.749 17.537 5.112 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.060 18.153 3.062 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.625 18.209 2.584 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.009 15.764 3.037 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -0.647 14.850 1.569 1.00 0.00 H new ATOM 349 N ALA A 28 3.783 17.859 6.541 1.00 0.00 N ATOM 350 CA ALA A 28 4.217 17.765 7.920 1.00 0.00 C ATOM 351 C ALA A 28 3.010 17.826 8.845 1.00 0.00 C ATOM 352 O ALA A 28 2.161 18.703 8.704 1.00 0.00 O ATOM 353 CB ALA A 28 5.190 18.899 8.225 1.00 0.00 C ATOM 0 H ALA A 28 3.993 18.752 6.095 1.00 0.00 H new ATOM 0 HA ALA A 28 4.726 16.815 8.081 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.517 18.829 9.262 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.055 18.823 7.566 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.695 19.857 8.065 1.00 0.00 H new ATOM 359 N GLY A 29 2.934 16.890 9.795 1.00 0.00 N ATOM 360 CA GLY A 29 1.830 16.847 10.734 1.00 0.00 C ATOM 361 C GLY A 29 0.581 16.304 10.054 1.00 0.00 C ATOM 362 O GLY A 29 -0.501 16.318 10.637 1.00 0.00 O ATOM 0 H GLY A 29 3.629 16.155 9.927 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.092 16.218 11.585 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.635 17.846 11.123 1.00 0.00 H new ATOM 366 N THR A 30 0.732 15.824 8.818 1.00 0.00 N ATOM 367 CA THR A 30 -0.384 15.280 8.071 1.00 0.00 C ATOM 368 C THR A 30 -0.478 13.778 8.298 1.00 0.00 C ATOM 369 O THR A 30 0.541 13.099 8.410 1.00 0.00 O ATOM 370 CB THR A 30 -0.202 15.592 6.588 1.00 0.00 C ATOM 371 OG1 THR A 30 -1.209 16.484 6.168 1.00 0.00 O ATOM 372 CG2 THR A 30 -0.298 14.300 5.781 1.00 0.00 C ATOM 0 H THR A 30 1.622 15.805 8.320 1.00 0.00 H new ATOM 0 HA THR A 30 -1.312 15.736 8.415 1.00 0.00 H new ATOM 0 HB THR A 30 0.776 16.048 6.430 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.298 16.441 5.193 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.168 14.522 4.722 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.481 13.610 6.105 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.275 13.844 5.939 1.00 0.00 H new ATOM 380 N ALA A 31 -1.706 13.260 8.366 1.00 0.00 N ATOM 381 CA ALA A 31 -1.928 11.845 8.581 1.00 0.00 C ATOM 382 C ALA A 31 -1.934 11.116 7.244 1.00 0.00 C ATOM 383 O ALA A 31 -2.359 11.671 6.234 1.00 0.00 O ATOM 384 CB ALA A 31 -3.252 11.643 9.312 1.00 0.00 C ATOM 0 H ALA A 31 -2.560 13.810 8.274 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.124 11.436 9.193 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.419 10.578 9.474 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.219 12.155 10.273 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.065 12.051 8.711 1.00 0.00 H new ATOM 390 N TYR A 32 -1.460 9.868 7.241 1.00 0.00 N ATOM 391 CA TYR A 32 -1.413 9.073 6.030 1.00 0.00 C ATOM 392 C TYR A 32 -1.934 7.671 6.311 1.00 0.00 C ATOM 393 O TYR A 32 -1.560 7.055 7.306 1.00 0.00 O ATOM 394 CB TYR A 32 0.022 9.023 5.513 1.00 0.00 C ATOM 395 CG TYR A 32 0.461 10.294 4.826 1.00 0.00 C ATOM 396 CD1 TYR A 32 -0.228 10.753 3.697 1.00 0.00 C ATOM 397 CD2 TYR A 32 1.556 11.014 5.319 1.00 0.00 C ATOM 398 CE1 TYR A 32 0.178 11.932 3.061 1.00 0.00 C ATOM 399 CE2 TYR A 32 1.962 12.193 4.683 1.00 0.00 C ATOM 400 CZ TYR A 32 1.273 12.652 3.554 1.00 0.00 C ATOM 401 OH TYR A 32 1.668 13.801 2.934 1.00 0.00 O ATOM 0 H TYR A 32 -1.104 9.393 8.070 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.046 9.527 5.267 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.693 8.820 6.348 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.120 8.191 4.816 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.073 10.198 3.317 1.00 0.00 H new ATOM 0 HD2 TYR A 32 2.087 10.660 6.190 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.353 12.286 2.190 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.807 12.748 5.063 1.00 0.00 H new ATOM 0 HH TYR A 32 1.458 13.746 1.978 1.00 0.00 H new ATOM 411 N ASP A 33 -2.802 7.168 5.430 1.00 0.00 N ATOM 412 CA ASP A 33 -3.370 5.844 5.588 1.00 0.00 C ATOM 413 C ASP A 33 -2.612 4.851 4.719 1.00 0.00 C ATOM 414 O ASP A 33 -2.653 4.938 3.494 1.00 0.00 O ATOM 415 CB ASP A 33 -4.848 5.877 5.209 1.00 0.00 C ATOM 416 CG ASP A 33 -5.715 6.172 6.424 1.00 0.00 C ATOM 417 OD1 ASP A 33 -5.258 6.975 7.266 1.00 0.00 O ATOM 418 OD2 ASP A 33 -6.819 5.589 6.489 1.00 0.00 O ATOM 0 H ASP A 33 -3.122 7.666 4.600 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.282 5.528 6.627 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.015 6.637 4.446 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.137 4.920 4.775 1.00 0.00 H new ATOM 423 N VAL A 34 -1.918 3.905 5.357 1.00 0.00 N ATOM 424 CA VAL A 34 -1.155 2.903 4.641 1.00 0.00 C ATOM 425 C VAL A 34 -1.935 1.597 4.595 1.00 0.00 C ATOM 426 O VAL A 34 -2.643 1.262 5.542 1.00 0.00 O ATOM 427 CB VAL A 34 0.193 2.704 5.328 1.00 0.00 C ATOM 428 CG1 VAL A 34 1.295 2.629 4.275 1.00 0.00 C ATOM 429 CG2 VAL A 34 0.464 3.877 6.266 1.00 0.00 C ATOM 0 H VAL A 34 -1.875 3.820 6.372 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.981 3.235 3.618 1.00 0.00 H new ATOM 0 HB VAL A 34 0.175 1.777 5.901 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.258 2.487 4.766 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.102 1.791 3.605 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.313 3.555 3.701 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.427 3.735 6.757 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.482 4.804 5.693 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.323 3.930 7.019 1.00 0.00 H new ATOM 439 N GLY A 35 -1.806 0.859 3.490 1.00 0.00 N ATOM 440 CA GLY A 35 -2.500 -0.403 3.333 1.00 0.00 C ATOM 441 C GLY A 35 -1.937 -1.170 2.144 1.00 0.00 C ATOM 442 O GLY A 35 -1.206 -0.610 1.331 1.00 0.00 O ATOM 0 H GLY A 35 -1.224 1.122 2.694 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.397 -0.998 4.240 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.565 -0.225 3.188 1.00 0.00 H new ATOM 446 N GLN A 36 -2.281 -2.456 2.046 1.00 0.00 N ATOM 447 CA GLN A 36 -1.808 -3.292 0.961 1.00 0.00 C ATOM 448 C GLN A 36 -2.968 -3.651 0.042 1.00 0.00 C ATOM 449 O GLN A 36 -3.838 -4.436 0.415 1.00 0.00 O ATOM 450 CB GLN A 36 -1.163 -4.551 1.534 1.00 0.00 C ATOM 451 CG GLN A 36 -1.211 -5.667 0.494 1.00 0.00 C ATOM 452 CD GLN A 36 -0.683 -6.971 1.074 1.00 0.00 C ATOM 453 OE1 GLN A 36 -1.340 -7.594 1.905 1.00 0.00 O ATOM 454 NE2 GLN A 36 0.508 -7.384 0.633 1.00 0.00 N ATOM 0 H GLN A 36 -2.888 -2.935 2.712 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.063 -2.750 0.378 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.130 -4.347 1.816 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.686 -4.860 2.439 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.236 -5.806 0.150 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.618 -5.385 -0.376 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.016 -6.832 -0.058 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.910 -8.252 0.987 1.00 0.00 H new ATOM 463 N CYS A 37 -2.978 -3.074 -1.162 1.00 0.00 N ATOM 464 CA CYS A 37 -4.028 -3.335 -2.126 1.00 0.00 C ATOM 465 C CYS A 37 -3.453 -4.078 -3.324 1.00 0.00 C ATOM 466 O CYS A 37 -2.302 -3.863 -3.696 1.00 0.00 O ATOM 467 CB CYS A 37 -4.658 -2.015 -2.560 1.00 0.00 C ATOM 468 SG CYS A 37 -4.520 -0.694 -1.330 1.00 0.00 S ATOM 0 H CYS A 37 -2.264 -2.422 -1.485 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.799 -3.958 -1.672 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -4.186 -1.686 -3.486 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.712 -2.183 -2.781 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.635 -0.028 -1.282 1.00 0.00 H new ATOM 473 N ALA A 38 -4.259 -4.955 -3.928 1.00 0.00 N ATOM 474 CA ALA A 38 -3.827 -5.724 -5.077 1.00 0.00 C ATOM 475 C ALA A 38 -4.777 -5.487 -6.242 1.00 0.00 C ATOM 476 O ALA A 38 -5.982 -5.346 -6.045 1.00 0.00 O ATOM 477 CB ALA A 38 -3.782 -7.205 -4.709 1.00 0.00 C ATOM 0 H ALA A 38 -5.217 -5.144 -3.632 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.828 -5.407 -5.378 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.457 -7.785 -5.573 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.082 -7.355 -3.887 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.775 -7.534 -4.404 1.00 0.00 H new ATOM 483 N TRP A 39 -4.232 -5.443 -7.461 1.00 0.00 N ATOM 484 CA TRP A 39 -5.036 -5.225 -8.646 1.00 0.00 C ATOM 485 C TRP A 39 -6.000 -6.386 -8.840 1.00 0.00 C ATOM 486 O TRP A 39 -5.582 -7.540 -8.908 1.00 0.00 O ATOM 487 CB TRP A 39 -4.122 -5.074 -9.858 1.00 0.00 C ATOM 488 CG TRP A 39 -4.699 -5.564 -11.148 1.00 0.00 C ATOM 489 CD1 TRP A 39 -6.005 -5.512 -11.487 1.00 0.00 C ATOM 490 CD2 TRP A 39 -4.016 -6.182 -12.281 1.00 0.00 C ATOM 491 NE1 TRP A 39 -6.177 -6.052 -12.745 1.00 0.00 N ATOM 492 CE2 TRP A 39 -4.981 -6.482 -13.281 1.00 0.00 C ATOM 493 CE3 TRP A 39 -2.682 -6.521 -12.566 1.00 0.00 C ATOM 494 CZ2 TRP A 39 -4.641 -7.084 -14.496 1.00 0.00 C ATOM 495 CZ3 TRP A 39 -2.330 -7.125 -13.782 1.00 0.00 C ATOM 496 CH2 TRP A 39 -3.305 -7.408 -14.746 1.00 0.00 C ATOM 0 H TRP A 39 -3.235 -5.557 -7.643 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.620 -4.312 -8.530 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -3.862 -4.021 -9.970 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -3.194 -5.612 -9.664 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -6.794 -5.110 -10.869 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -7.077 -6.124 -13.220 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -1.914 -6.313 -11.836 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.402 -7.296 -15.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -1.297 -7.374 -13.976 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -3.026 -7.875 -15.679 1.00 0.00 H new ATOM 507 N VAL A 40 -7.297 -6.078 -8.928 1.00 0.00 N ATOM 508 CA VAL A 40 -8.313 -7.094 -9.113 1.00 0.00 C ATOM 509 C VAL A 40 -8.796 -7.082 -10.557 1.00 0.00 C ATOM 510 O VAL A 40 -8.862 -8.128 -11.200 1.00 0.00 O ATOM 511 CB VAL A 40 -9.471 -6.835 -8.153 1.00 0.00 C ATOM 512 CG1 VAL A 40 -10.788 -6.868 -8.923 1.00 0.00 C ATOM 513 CG2 VAL A 40 -9.486 -7.912 -7.073 1.00 0.00 C ATOM 0 H VAL A 40 -7.660 -5.126 -8.873 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.894 -8.077 -8.899 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.346 -5.857 -7.689 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.615 -6.683 -8.237 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.778 -6.099 -9.695 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -10.914 -7.846 -9.387 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.313 -7.728 -6.387 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.610 -8.891 -7.537 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.546 -7.888 -6.522 1.00 0.00 H new ATOM 523 N ASP A 41 -9.134 -5.895 -11.065 1.00 0.00 N ATOM 524 CA ASP A 41 -9.609 -5.754 -12.427 1.00 0.00 C ATOM 525 C ASP A 41 -8.930 -4.564 -13.089 1.00 0.00 C ATOM 526 O ASP A 41 -8.262 -3.778 -12.420 1.00 0.00 O ATOM 527 CB ASP A 41 -11.125 -5.578 -12.421 1.00 0.00 C ATOM 528 CG ASP A 41 -11.819 -6.823 -12.954 1.00 0.00 C ATOM 529 OD1 ASP A 41 -11.302 -7.926 -12.672 1.00 0.00 O ATOM 530 OD2 ASP A 41 -12.854 -6.649 -13.633 1.00 0.00 O ATOM 0 H ASP A 41 -9.084 -5.019 -10.545 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.363 -6.650 -12.997 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.467 -5.372 -11.407 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.397 -4.716 -13.030 1.00 0.00 H new ATOM 535 N THR A 42 -9.101 -4.431 -14.406 1.00 0.00 N ATOM 536 CA THR A 42 -8.504 -3.337 -15.145 1.00 0.00 C ATOM 537 C THR A 42 -8.842 -2.013 -14.475 1.00 0.00 C ATOM 538 O THR A 42 -9.997 -1.595 -14.468 1.00 0.00 O ATOM 539 CB THR A 42 -9.011 -3.360 -16.584 1.00 0.00 C ATOM 540 OG1 THR A 42 -8.757 -2.113 -17.191 1.00 0.00 O ATOM 541 CG2 THR A 42 -10.513 -3.632 -16.590 1.00 0.00 C ATOM 0 H THR A 42 -9.651 -5.074 -14.976 1.00 0.00 H new ATOM 0 HA THR A 42 -7.420 -3.449 -15.153 1.00 0.00 H new ATOM 0 HB THR A 42 -8.497 -4.146 -17.138 1.00 0.00 H new ATOM 0 HG1 THR A 42 -9.081 -2.127 -18.116 1.00 0.00 H new ATOM 0 HG21 THR A 42 -10.876 -3.649 -17.618 1.00 0.00 H new ATOM 0 HG22 THR A 42 -10.710 -4.596 -16.120 1.00 0.00 H new ATOM 0 HG23 THR A 42 -11.027 -2.846 -16.036 1.00 0.00 H new ATOM 549 N GLY A 43 -7.828 -1.352 -13.910 1.00 0.00 N ATOM 550 CA GLY A 43 -8.026 -0.081 -13.243 1.00 0.00 C ATOM 551 C GLY A 43 -8.772 -0.285 -11.931 1.00 0.00 C ATOM 552 O GLY A 43 -9.179 0.681 -11.290 1.00 0.00 O ATOM 0 H GLY A 43 -6.864 -1.684 -13.906 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.062 0.392 -13.052 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.589 0.593 -13.889 1.00 0.00 H new ATOM 556 N VAL A 44 -8.950 -1.547 -11.535 1.00 0.00 N ATOM 557 CA VAL A 44 -9.644 -1.872 -10.305 1.00 0.00 C ATOM 558 C VAL A 44 -8.731 -2.685 -9.398 1.00 0.00 C ATOM 559 O VAL A 44 -8.239 -3.740 -9.794 1.00 0.00 O ATOM 560 CB VAL A 44 -10.916 -2.650 -10.630 1.00 0.00 C ATOM 561 CG1 VAL A 44 -11.267 -3.564 -9.459 1.00 0.00 C ATOM 562 CG2 VAL A 44 -12.061 -1.672 -10.873 1.00 0.00 C ATOM 0 H VAL A 44 -8.618 -2.358 -12.057 1.00 0.00 H new ATOM 0 HA VAL A 44 -9.918 -0.955 -9.784 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.756 -3.252 -11.525 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -12.176 -4.120 -9.691 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -10.449 -4.263 -9.285 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -11.428 -2.963 -8.564 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.970 -2.227 -11.105 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -12.222 -1.070 -9.978 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.811 -1.019 -11.709 1.00 0.00 H new ATOM 572 N LEU A 45 -8.506 -2.192 -8.178 1.00 0.00 N ATOM 573 CA LEU A 45 -7.655 -2.874 -7.222 1.00 0.00 C ATOM 574 C LEU A 45 -8.354 -2.951 -5.872 1.00 0.00 C ATOM 575 O LEU A 45 -8.907 -1.960 -5.399 1.00 0.00 O ATOM 576 CB LEU A 45 -6.328 -2.130 -7.102 1.00 0.00 C ATOM 577 CG LEU A 45 -6.394 -1.160 -5.926 1.00 0.00 C ATOM 578 CD1 LEU A 45 -4.982 -0.881 -5.417 1.00 0.00 C ATOM 579 CD2 LEU A 45 -7.039 0.146 -6.379 1.00 0.00 C ATOM 0 H LEU A 45 -8.907 -1.319 -7.835 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.457 -3.890 -7.565 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.513 -2.839 -6.957 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.118 -1.587 -8.024 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.989 -1.600 -5.125 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.028 -0.188 -4.577 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.521 -1.814 -5.093 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.387 -0.441 -6.217 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.086 0.839 -5.539 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.445 0.586 -7.180 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.047 -0.053 -6.742 1.00 0.00 H new ATOM 591 N ALA A 46 -8.328 -4.133 -5.252 1.00 0.00 N ATOM 592 CA ALA A 46 -8.958 -4.334 -3.963 1.00 0.00 C ATOM 593 C ALA A 46 -7.949 -4.079 -2.851 1.00 0.00 C ATOM 594 O ALA A 46 -6.759 -4.333 -3.020 1.00 0.00 O ATOM 595 CB ALA A 46 -9.505 -5.756 -3.881 1.00 0.00 C ATOM 0 H ALA A 46 -7.873 -4.963 -5.631 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.785 -3.634 -3.845 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.979 -5.908 -2.911 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.239 -5.910 -4.672 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.688 -6.468 -4.001 1.00 0.00 H new ATOM 601 N CYS A 47 -8.429 -3.575 -1.712 1.00 0.00 N ATOM 602 CA CYS A 47 -7.570 -3.288 -0.581 1.00 0.00 C ATOM 603 C CYS A 47 -7.775 -4.340 0.500 1.00 0.00 C ATOM 604 O CYS A 47 -8.852 -4.923 0.606 1.00 0.00 O ATOM 605 CB CYS A 47 -7.884 -1.894 -0.045 1.00 0.00 C ATOM 606 SG CYS A 47 -7.067 -0.557 -0.952 1.00 0.00 S ATOM 0 H CYS A 47 -9.414 -3.359 -1.557 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.527 -3.315 -0.895 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.962 -1.737 -0.079 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.587 -1.843 1.003 1.00 0.00 H new ATOM 0 HG CYS A 47 -5.797 -0.816 -1.056 1.00 0.00 H new ATOM 611 N ASN A 48 -6.737 -4.583 1.305 1.00 0.00 N ATOM 612 CA ASN A 48 -6.811 -5.561 2.371 1.00 0.00 C ATOM 613 C ASN A 48 -6.780 -4.861 3.721 1.00 0.00 C ATOM 614 O ASN A 48 -5.753 -4.314 4.117 1.00 0.00 O ATOM 615 CB ASN A 48 -5.646 -6.539 2.243 1.00 0.00 C ATOM 616 CG ASN A 48 -5.526 -7.407 3.487 1.00 0.00 C ATOM 617 OD1 ASN A 48 -6.533 -7.844 4.040 1.00 0.00 O ATOM 618 ND2 ASN A 48 -4.291 -7.659 3.925 1.00 0.00 N ATOM 0 H ASN A 48 -5.837 -4.109 1.231 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.746 -6.115 2.295 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.791 -7.171 1.367 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.718 -5.988 2.089 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.152 -8.237 4.754 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.486 -7.273 3.431 1.00 0.00 H new ATOM 625 N PRO A 49 -7.912 -4.878 4.430 1.00 0.00 N ATOM 626 CA PRO A 49 -8.068 -4.267 5.732 1.00 0.00 C ATOM 627 C PRO A 49 -7.321 -5.087 6.774 1.00 0.00 C ATOM 628 O PRO A 49 -7.321 -4.744 7.954 1.00 0.00 O ATOM 629 CB PRO A 49 -9.572 -4.287 5.996 1.00 0.00 C ATOM 630 CG PRO A 49 -10.033 -5.527 5.231 1.00 0.00 C ATOM 631 CD PRO A 49 -9.138 -5.510 3.994 1.00 0.00 C ATOM 0 HA PRO A 49 -7.667 -3.255 5.776 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -9.795 -4.362 7.060 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.059 -3.382 5.631 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.898 -6.437 5.816 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -11.089 -5.471 4.967 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -8.953 -6.519 3.626 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.601 -4.954 3.179 1.00 0.00 H new ATOM 639 N ALA A 50 -6.683 -6.175 6.334 1.00 0.00 N ATOM 640 CA ALA A 50 -5.939 -7.038 7.229 1.00 0.00 C ATOM 641 C ALA A 50 -4.507 -6.538 7.355 1.00 0.00 C ATOM 642 O ALA A 50 -3.751 -7.019 8.197 1.00 0.00 O ATOM 643 CB ALA A 50 -5.967 -8.467 6.695 1.00 0.00 C ATOM 0 H ALA A 50 -6.672 -6.472 5.358 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.396 -7.024 8.218 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.408 -9.118 7.367 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.999 -8.812 6.632 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.514 -8.494 5.704 1.00 0.00 H new ATOM 649 N ASP A 51 -4.135 -5.569 6.515 1.00 0.00 N ATOM 650 CA ASP A 51 -2.797 -5.011 6.537 1.00 0.00 C ATOM 651 C ASP A 51 -2.873 -3.492 6.485 1.00 0.00 C ATOM 652 O ASP A 51 -1.944 -2.839 6.013 1.00 0.00 O ATOM 653 CB ASP A 51 -2.001 -5.555 5.354 1.00 0.00 C ATOM 654 CG ASP A 51 -1.820 -7.062 5.467 1.00 0.00 C ATOM 655 OD1 ASP A 51 -1.829 -7.550 6.618 1.00 0.00 O ATOM 656 OD2 ASP A 51 -1.676 -7.698 4.400 1.00 0.00 O ATOM 0 H ASP A 51 -4.750 -5.159 5.812 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.292 -5.298 7.459 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.516 -5.315 4.423 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.026 -5.070 5.313 1.00 0.00 H new ATOM 661 N PHE A 52 -3.981 -2.930 6.971 1.00 0.00 N ATOM 662 CA PHE A 52 -4.169 -1.493 6.975 1.00 0.00 C ATOM 663 C PHE A 52 -3.417 -0.878 8.147 1.00 0.00 C ATOM 664 O PHE A 52 -3.830 -1.020 9.296 1.00 0.00 O ATOM 665 CB PHE A 52 -5.659 -1.176 7.062 1.00 0.00 C ATOM 666 CG PHE A 52 -6.231 -0.614 5.783 1.00 0.00 C ATOM 667 CD1 PHE A 52 -5.406 0.086 4.895 1.00 0.00 C ATOM 668 CD2 PHE A 52 -7.587 -0.795 5.483 1.00 0.00 C ATOM 669 CE1 PHE A 52 -5.936 0.605 3.707 1.00 0.00 C ATOM 670 CE2 PHE A 52 -8.117 -0.277 4.296 1.00 0.00 C ATOM 671 CZ PHE A 52 -7.292 0.424 3.408 1.00 0.00 C ATOM 0 H PHE A 52 -4.760 -3.457 7.366 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.774 -1.068 6.052 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.201 -2.085 7.325 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.824 -0.462 7.869 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.360 0.226 5.126 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -8.224 -1.335 6.168 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.299 1.145 3.022 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -9.163 -0.418 4.065 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.701 0.825 2.493 1.00 0.00 H new ATOM 681 N SER A 53 -2.309 -0.192 7.854 1.00 0.00 N ATOM 682 CA SER A 53 -1.509 0.440 8.883 1.00 0.00 C ATOM 683 C SER A 53 -1.803 1.933 8.922 1.00 0.00 C ATOM 684 O SER A 53 -2.567 2.439 8.103 1.00 0.00 O ATOM 685 CB SER A 53 -0.030 0.188 8.602 1.00 0.00 C ATOM 686 OG SER A 53 0.128 -1.092 8.034 1.00 0.00 O ATOM 0 H SER A 53 -1.952 -0.065 6.907 1.00 0.00 H new ATOM 0 HA SER A 53 -1.759 0.015 9.855 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.357 0.949 7.924 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.544 0.261 9.525 1.00 0.00 H new ATOM 0 HG SER A 53 0.928 -1.518 8.406 1.00 0.00 H new ATOM 692 N SER A 54 -1.194 2.638 9.878 1.00 0.00 N ATOM 693 CA SER A 54 -1.392 4.067 10.017 1.00 0.00 C ATOM 694 C SER A 54 -0.100 4.726 10.479 1.00 0.00 C ATOM 695 O SER A 54 0.731 4.086 11.119 1.00 0.00 O ATOM 696 CB SER A 54 -2.519 4.329 11.013 1.00 0.00 C ATOM 697 OG SER A 54 -2.000 4.312 12.324 1.00 0.00 O ATOM 0 H SER A 54 -0.559 2.233 10.566 1.00 0.00 H new ATOM 0 HA SER A 54 -1.669 4.494 9.053 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.984 5.293 10.807 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.295 3.571 10.908 1.00 0.00 H new ATOM 0 HG SER A 54 -2.722 4.482 12.964 1.00 0.00 H new ATOM 703 N VAL A 55 0.066 6.010 10.153 1.00 0.00 N ATOM 704 CA VAL A 55 1.253 6.748 10.535 1.00 0.00 C ATOM 705 C VAL A 55 1.023 8.238 10.323 1.00 0.00 C ATOM 706 O VAL A 55 0.195 8.629 9.503 1.00 0.00 O ATOM 707 CB VAL A 55 2.442 6.262 9.711 1.00 0.00 C ATOM 708 CG1 VAL A 55 2.124 6.406 8.225 1.00 0.00 C ATOM 709 CG2 VAL A 55 3.672 7.097 10.052 1.00 0.00 C ATOM 0 H VAL A 55 -0.615 6.554 9.623 1.00 0.00 H new ATOM 0 HA VAL A 55 1.467 6.579 11.590 1.00 0.00 H new ATOM 0 HB VAL A 55 2.639 5.215 9.940 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.973 6.059 7.636 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.245 5.809 7.981 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.927 7.453 7.995 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.522 6.750 9.464 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.476 8.144 9.823 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.899 6.994 11.113 1.00 0.00 H new ATOM 719 N THR A 56 1.758 9.070 11.064 1.00 0.00 N ATOM 720 CA THR A 56 1.628 10.508 10.950 1.00 0.00 C ATOM 721 C THR A 56 2.996 11.137 10.728 1.00 0.00 C ATOM 722 O THR A 56 3.985 10.699 11.311 1.00 0.00 O ATOM 723 CB THR A 56 0.978 11.061 12.215 1.00 0.00 C ATOM 724 OG1 THR A 56 -0.180 10.314 12.513 1.00 0.00 O ATOM 725 CG2 THR A 56 0.597 12.523 11.994 1.00 0.00 C ATOM 0 H THR A 56 2.449 8.763 11.749 1.00 0.00 H new ATOM 0 HA THR A 56 0.997 10.752 10.095 1.00 0.00 H new ATOM 0 HB THR A 56 1.680 10.990 13.045 1.00 0.00 H new ATOM 0 HG1 THR A 56 -0.597 10.668 13.326 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.133 12.919 12.897 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.492 13.101 11.763 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.106 12.594 11.164 1.00 0.00 H new ATOM 733 N ALA A 57 3.050 12.167 9.881 1.00 0.00 N ATOM 734 CA ALA A 57 4.293 12.850 9.585 1.00 0.00 C ATOM 735 C ALA A 57 4.596 13.866 10.678 1.00 0.00 C ATOM 736 O ALA A 57 3.690 14.528 11.180 1.00 0.00 O ATOM 737 CB ALA A 57 4.186 13.534 8.225 1.00 0.00 C ATOM 0 H ALA A 57 2.238 12.542 9.390 1.00 0.00 H new ATOM 0 HA ALA A 57 5.110 12.129 9.550 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.121 14.048 8.002 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.990 12.787 7.456 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.370 14.257 8.244 1.00 0.00 H new ATOM 743 N ASP A 58 5.873 13.988 11.045 1.00 0.00 N ATOM 744 CA ASP A 58 6.287 14.920 12.074 1.00 0.00 C ATOM 745 C ASP A 58 6.448 16.310 11.476 1.00 0.00 C ATOM 746 O ASP A 58 6.114 16.530 10.314 1.00 0.00 O ATOM 747 CB ASP A 58 7.597 14.442 12.694 1.00 0.00 C ATOM 748 CG ASP A 58 8.706 14.394 11.652 1.00 0.00 C ATOM 749 OD1 ASP A 58 8.478 14.946 10.555 1.00 0.00 O ATOM 750 OD2 ASP A 58 9.761 13.805 11.973 1.00 0.00 O ATOM 0 H ASP A 58 6.635 13.446 10.638 1.00 0.00 H new ATOM 0 HA ASP A 58 5.527 14.968 12.854 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.884 15.110 13.506 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.458 13.452 13.129 1.00 0.00 H new ATOM 755 N ALA A 59 6.962 17.249 12.274 1.00 0.00 N ATOM 756 CA ALA A 59 7.163 18.611 11.821 1.00 0.00 C ATOM 757 C ALA A 59 8.146 18.627 10.658 1.00 0.00 C ATOM 758 O ALA A 59 8.109 19.530 9.825 1.00 0.00 O ATOM 759 CB ALA A 59 7.680 19.460 12.978 1.00 0.00 C ATOM 0 H ALA A 59 7.245 17.081 13.240 1.00 0.00 H new ATOM 0 HA ALA A 59 6.216 19.028 11.477 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.831 20.485 12.638 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.952 19.451 13.790 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.626 19.052 13.334 1.00 0.00 H new ATOM 765 N ASN A 60 9.026 17.625 10.604 1.00 0.00 N ATOM 766 CA ASN A 60 10.011 17.532 9.545 1.00 0.00 C ATOM 767 C ASN A 60 9.351 17.047 8.263 1.00 0.00 C ATOM 768 O ASN A 60 9.968 17.058 7.200 1.00 0.00 O ATOM 769 CB ASN A 60 11.126 16.581 9.972 1.00 0.00 C ATOM 770 CG ASN A 60 12.384 17.352 10.345 1.00 0.00 C ATOM 771 OD1 ASN A 60 12.303 18.449 10.892 1.00 0.00 O ATOM 772 ND2 ASN A 60 13.551 16.773 10.051 1.00 0.00 N ATOM 0 H ASN A 60 9.070 16.869 11.287 1.00 0.00 H new ATOM 0 HA ASN A 60 10.440 18.516 9.357 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.795 15.984 10.822 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.347 15.886 9.162 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.426 17.244 10.281 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.567 15.860 9.596 1.00 0.00 H new ATOM 779 N GLY A 61 8.090 16.620 8.363 1.00 0.00 N ATOM 780 CA GLY A 61 7.356 16.135 7.211 1.00 0.00 C ATOM 781 C GLY A 61 7.816 14.730 6.847 1.00 0.00 C ATOM 782 O GLY A 61 7.814 14.357 5.676 1.00 0.00 O ATOM 0 H GLY A 61 7.562 16.604 9.236 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.288 16.131 7.427 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.508 16.806 6.365 1.00 0.00 H new ATOM 786 N SER A 62 8.210 13.949 7.856 1.00 0.00 N ATOM 787 CA SER A 62 8.668 12.592 7.637 1.00 0.00 C ATOM 788 C SER A 62 7.904 11.636 8.543 1.00 0.00 C ATOM 789 O SER A 62 7.711 11.918 9.724 1.00 0.00 O ATOM 790 CB SER A 62 10.167 12.512 7.908 1.00 0.00 C ATOM 791 OG SER A 62 10.423 12.877 9.246 1.00 0.00 O ATOM 0 H SER A 62 8.218 14.243 8.833 1.00 0.00 H new ATOM 0 HA SER A 62 8.483 12.305 6.602 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.528 11.501 7.720 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.706 13.174 7.230 1.00 0.00 H new ATOM 0 HG SER A 62 11.386 12.824 9.421 1.00 0.00 H new ATOM 797 N ALA A 63 7.470 10.503 7.987 1.00 0.00 N ATOM 798 CA ALA A 63 6.731 9.513 8.744 1.00 0.00 C ATOM 799 C ALA A 63 7.448 8.172 8.676 1.00 0.00 C ATOM 800 O ALA A 63 8.318 7.973 7.832 1.00 0.00 O ATOM 801 CB ALA A 63 5.316 9.400 8.186 1.00 0.00 C ATOM 0 H ALA A 63 7.623 10.255 7.009 1.00 0.00 H new ATOM 0 HA ALA A 63 6.671 9.817 9.789 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.759 8.655 8.755 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.816 10.365 8.264 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.361 9.098 7.139 1.00 0.00 H new ATOM 807 N SER A 64 7.079 7.251 9.570 1.00 0.00 N ATOM 808 CA SER A 64 7.687 5.936 9.605 1.00 0.00 C ATOM 809 C SER A 64 6.652 4.899 10.017 1.00 0.00 C ATOM 810 O SER A 64 5.879 5.125 10.946 1.00 0.00 O ATOM 811 CB SER A 64 8.861 5.945 10.580 1.00 0.00 C ATOM 812 OG SER A 64 8.439 5.441 11.828 1.00 0.00 O ATOM 0 H SER A 64 6.359 7.401 10.277 1.00 0.00 H new ATOM 0 HA SER A 64 8.057 5.676 8.613 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.678 5.339 10.188 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.244 6.959 10.696 1.00 0.00 H new ATOM 0 HG SER A 64 9.193 5.445 12.454 1.00 0.00 H new ATOM 818 N THR A 65 6.638 3.758 9.325 1.00 0.00 N ATOM 819 CA THR A 65 5.699 2.696 9.626 1.00 0.00 C ATOM 820 C THR A 65 6.144 1.405 8.954 1.00 0.00 C ATOM 821 O THR A 65 7.112 1.397 8.196 1.00 0.00 O ATOM 822 CB THR A 65 4.306 3.100 9.152 1.00 0.00 C ATOM 823 OG1 THR A 65 3.429 3.145 10.255 1.00 0.00 O ATOM 824 CG2 THR A 65 3.797 2.079 8.138 1.00 0.00 C ATOM 0 H THR A 65 7.271 3.553 8.552 1.00 0.00 H new ATOM 0 HA THR A 65 5.668 2.529 10.703 1.00 0.00 H new ATOM 0 HB THR A 65 4.352 4.084 8.684 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.788 3.755 10.933 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.802 2.367 7.799 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.475 2.044 7.285 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.750 1.095 8.605 1.00 0.00 H new ATOM 832 N SER A 66 5.433 0.310 9.234 1.00 0.00 N ATOM 833 CA SER A 66 5.756 -0.978 8.655 1.00 0.00 C ATOM 834 C SER A 66 4.477 -1.701 8.256 1.00 0.00 C ATOM 835 O SER A 66 3.601 -1.924 9.089 1.00 0.00 O ATOM 836 CB SER A 66 6.550 -1.803 9.664 1.00 0.00 C ATOM 837 OG SER A 66 6.924 -0.984 10.749 1.00 0.00 O ATOM 0 H SER A 66 4.629 0.299 9.861 1.00 0.00 H new ATOM 0 HA SER A 66 6.363 -0.837 7.761 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.950 -2.641 10.017 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.436 -2.223 9.189 1.00 0.00 H new ATOM 0 HG SER A 66 7.432 -1.513 11.398 1.00 0.00 H new ATOM 843 N LEU A 67 4.371 -2.068 6.977 1.00 0.00 N ATOM 844 CA LEU A 67 3.203 -2.763 6.474 1.00 0.00 C ATOM 845 C LEU A 67 3.459 -4.264 6.465 1.00 0.00 C ATOM 846 O LEU A 67 4.608 -4.699 6.423 1.00 0.00 O ATOM 847 CB LEU A 67 2.879 -2.262 5.070 1.00 0.00 C ATOM 848 CG LEU A 67 1.383 -2.414 4.808 1.00 0.00 C ATOM 849 CD1 LEU A 67 0.842 -1.129 4.189 1.00 0.00 C ATOM 850 CD2 LEU A 67 1.151 -3.579 3.850 1.00 0.00 C ATOM 0 H LEU A 67 5.089 -1.890 6.274 1.00 0.00 H new ATOM 0 HA LEU A 67 2.350 -2.564 7.123 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.172 -1.217 4.968 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.448 -2.826 4.331 1.00 0.00 H new ATOM 0 HG LEU A 67 0.867 -2.609 5.748 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.226 -1.237 4.002 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.008 -0.297 4.874 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.357 -0.933 3.249 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.083 -3.688 3.662 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.667 -3.385 2.910 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.537 -4.497 4.293 1.00 0.00 H new ATOM 862 N THR A 68 2.385 -5.055 6.504 1.00 0.00 N ATOM 863 CA THR A 68 2.503 -6.499 6.499 1.00 0.00 C ATOM 864 C THR A 68 2.155 -7.043 5.121 1.00 0.00 C ATOM 865 O THR A 68 1.152 -6.650 4.530 1.00 0.00 O ATOM 866 CB THR A 68 1.579 -7.087 7.561 1.00 0.00 C ATOM 867 OG1 THR A 68 1.062 -8.317 7.105 1.00 0.00 O ATOM 868 CG2 THR A 68 0.429 -6.120 7.828 1.00 0.00 C ATOM 0 H THR A 68 1.425 -4.711 6.539 1.00 0.00 H new ATOM 0 HA THR A 68 3.530 -6.783 6.730 1.00 0.00 H new ATOM 0 HB THR A 68 2.140 -7.247 8.482 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.778 -8.986 7.085 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.231 -6.540 8.587 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.828 -5.169 8.181 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.132 -5.959 6.908 1.00 0.00 H new ATOM 876 N VAL A 69 2.990 -7.951 4.609 1.00 0.00 N ATOM 877 CA VAL A 69 2.769 -8.545 3.306 1.00 0.00 C ATOM 878 C VAL A 69 1.998 -9.848 3.458 1.00 0.00 C ATOM 879 O VAL A 69 2.398 -10.722 4.224 1.00 0.00 O ATOM 880 CB VAL A 69 4.112 -8.786 2.624 1.00 0.00 C ATOM 881 CG1 VAL A 69 4.097 -10.150 1.939 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.357 -7.697 1.583 1.00 0.00 C ATOM 0 H VAL A 69 3.827 -8.286 5.087 1.00 0.00 H new ATOM 0 HA VAL A 69 2.180 -7.868 2.688 1.00 0.00 H new ATOM 0 HB VAL A 69 4.907 -8.762 3.369 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.056 -10.323 1.451 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.922 -10.928 2.682 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.302 -10.174 1.194 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.317 -7.869 1.096 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.562 -7.721 0.838 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.368 -6.723 2.071 1.00 0.00 H new ATOM 892 N ARG A 70 0.890 -9.977 2.725 1.00 0.00 N ATOM 893 CA ARG A 70 0.070 -11.171 2.783 1.00 0.00 C ATOM 894 C ARG A 70 0.044 -11.844 1.418 1.00 0.00 C ATOM 895 O ARG A 70 0.004 -11.169 0.391 1.00 0.00 O ATOM 896 CB ARG A 70 -1.341 -10.797 3.228 1.00 0.00 C ATOM 897 CG ARG A 70 -1.448 -10.931 4.744 1.00 0.00 C ATOM 898 CD ARG A 70 -0.155 -10.442 5.391 1.00 0.00 C ATOM 899 NE ARG A 70 -0.361 -10.127 6.805 1.00 0.00 N ATOM 900 CZ ARG A 70 -0.290 -11.052 7.772 1.00 0.00 C ATOM 901 NH1 ARG A 70 -0.019 -12.327 7.462 1.00 0.00 N ATOM 902 NH2 ARG A 70 -0.490 -10.701 9.050 1.00 0.00 N ATOM 0 H ARG A 70 0.546 -9.262 2.084 1.00 0.00 H new ATOM 0 HA ARG A 70 0.490 -11.872 3.504 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.571 -9.775 2.925 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.071 -11.445 2.742 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.294 -10.350 5.112 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -1.633 -11.970 5.016 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.616 -11.207 5.294 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.206 -9.557 4.867 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.567 -9.163 7.066 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.133 -12.594 6.489 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.035 -13.031 8.199 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.696 -9.730 9.286 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.436 -11.405 9.787 1.00 0.00 H new ATOM 916 N ARG A 71 0.065 -13.179 1.409 1.00 0.00 N ATOM 917 CA ARG A 71 0.044 -13.936 0.173 1.00 0.00 C ATOM 918 C ARG A 71 -1.303 -13.765 -0.513 1.00 0.00 C ATOM 919 O ARG A 71 -1.383 -13.772 -1.740 1.00 0.00 O ATOM 920 CB ARG A 71 0.315 -15.407 0.474 1.00 0.00 C ATOM 921 CG ARG A 71 -0.532 -15.847 1.665 1.00 0.00 C ATOM 922 CD ARG A 71 -1.176 -17.196 1.361 1.00 0.00 C ATOM 923 NE ARG A 71 -0.607 -18.251 2.200 1.00 0.00 N ATOM 924 CZ ARG A 71 -1.041 -19.518 2.168 1.00 0.00 C ATOM 925 NH1 ARG A 71 -2.036 -19.864 1.340 1.00 0.00 N ATOM 926 NH2 ARG A 71 -0.480 -20.439 2.963 1.00 0.00 N ATOM 0 H ARG A 71 0.097 -13.752 2.252 1.00 0.00 H new ATOM 0 HA ARG A 71 0.820 -13.567 -0.498 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.080 -16.017 -0.398 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.373 -15.556 0.691 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.088 -15.921 2.558 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.301 -15.103 1.872 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.252 -17.135 1.527 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.029 -17.444 0.310 1.00 0.00 H new ATOM 0 HE ARG A 71 0.153 -18.011 2.837 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -2.463 -19.163 0.734 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.367 -20.829 1.315 1.00 0.00 H new ATOM 0 HH21 ARG A 71 0.278 -20.176 3.593 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.811 -21.404 2.938 1.00 0.00 H new ATOM 940 N SER A 72 -2.365 -13.610 0.281 1.00 0.00 N ATOM 941 CA SER A 72 -3.700 -13.438 -0.254 1.00 0.00 C ATOM 942 C SER A 72 -4.587 -12.759 0.781 1.00 0.00 C ATOM 943 O SER A 72 -4.289 -12.789 1.973 1.00 0.00 O ATOM 944 CB SER A 72 -4.270 -14.798 -0.646 1.00 0.00 C ATOM 945 OG SER A 72 -4.542 -15.546 0.518 1.00 0.00 O ATOM 0 H SER A 72 -2.316 -13.601 1.300 1.00 0.00 H new ATOM 0 HA SER A 72 -3.662 -12.806 -1.141 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.182 -14.668 -1.229 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.561 -15.333 -1.278 1.00 0.00 H new ATOM 0 HG SER A 72 -4.910 -16.419 0.267 1.00 0.00 H new ATOM 951 N PHE A 73 -5.682 -12.147 0.322 1.00 0.00 N ATOM 952 CA PHE A 73 -6.604 -11.468 1.209 1.00 0.00 C ATOM 953 C PHE A 73 -7.785 -10.931 0.413 1.00 0.00 C ATOM 954 O PHE A 73 -7.707 -10.800 -0.806 1.00 0.00 O ATOM 955 CB PHE A 73 -5.876 -10.336 1.928 1.00 0.00 C ATOM 956 CG PHE A 73 -4.944 -9.554 1.033 1.00 0.00 C ATOM 957 CD1 PHE A 73 -5.463 -8.785 -0.016 1.00 0.00 C ATOM 958 CD2 PHE A 73 -3.562 -9.601 1.250 1.00 0.00 C ATOM 959 CE1 PHE A 73 -4.599 -8.063 -0.847 1.00 0.00 C ATOM 960 CE2 PHE A 73 -2.698 -8.878 0.418 1.00 0.00 C ATOM 961 CZ PHE A 73 -3.217 -8.109 -0.630 1.00 0.00 C ATOM 0 H PHE A 73 -5.944 -12.113 -0.663 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.982 -12.169 1.953 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.612 -9.655 2.356 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.306 -10.752 2.759 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.529 -8.749 -0.184 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.162 -10.195 2.059 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -4.999 -7.470 -1.656 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.632 -8.914 0.585 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.551 -7.551 -1.271 1.00 0.00 H new ATOM 971 N GLU A 74 -8.883 -10.619 1.107 1.00 0.00 N ATOM 972 CA GLU A 74 -10.071 -10.098 0.460 1.00 0.00 C ATOM 973 C GLU A 74 -9.763 -8.756 -0.188 1.00 0.00 C ATOM 974 O GLU A 74 -9.507 -7.773 0.505 1.00 0.00 O ATOM 975 CB GLU A 74 -11.189 -9.959 1.489 1.00 0.00 C ATOM 976 CG GLU A 74 -10.760 -8.978 2.576 1.00 0.00 C ATOM 977 CD GLU A 74 -10.994 -9.565 3.961 1.00 0.00 C ATOM 978 OE1 GLU A 74 -12.008 -10.280 4.110 1.00 0.00 O ATOM 979 OE2 GLU A 74 -10.155 -9.286 4.845 1.00 0.00 O ATOM 0 H GLU A 74 -8.965 -10.722 2.118 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.396 -10.787 -0.320 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.101 -9.607 1.006 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.416 -10.930 1.929 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.705 -8.733 2.454 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.318 -8.047 2.472 1.00 0.00 H new ATOM 986 N GLY A 75 -9.788 -8.714 -1.522 1.00 0.00 N ATOM 987 CA GLY A 75 -9.513 -7.493 -2.251 1.00 0.00 C ATOM 988 C GLY A 75 -10.668 -6.514 -2.095 1.00 0.00 C ATOM 989 O GLY A 75 -11.660 -6.601 -2.815 1.00 0.00 O ATOM 0 H GLY A 75 -9.997 -9.519 -2.113 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.592 -7.041 -1.883 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.358 -7.718 -3.306 1.00 0.00 H new ATOM 993 N PHE A 76 -10.537 -5.578 -1.152 1.00 0.00 N ATOM 994 CA PHE A 76 -11.569 -4.590 -0.909 1.00 0.00 C ATOM 995 C PHE A 76 -11.422 -3.437 -1.892 1.00 0.00 C ATOM 996 O PHE A 76 -10.595 -2.551 -1.692 1.00 0.00 O ATOM 997 CB PHE A 76 -11.465 -4.092 0.530 1.00 0.00 C ATOM 998 CG PHE A 76 -12.537 -4.645 1.438 1.00 0.00 C ATOM 999 CD1 PHE A 76 -13.847 -4.160 1.352 1.00 0.00 C ATOM 1000 CD2 PHE A 76 -12.221 -5.645 2.365 1.00 0.00 C ATOM 1001 CE1 PHE A 76 -14.841 -4.675 2.193 1.00 0.00 C ATOM 1002 CE2 PHE A 76 -13.214 -6.160 3.206 1.00 0.00 C ATOM 1003 CZ PHE A 76 -14.525 -5.675 3.120 1.00 0.00 C ATOM 0 H PHE A 76 -9.720 -5.491 -0.547 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.551 -5.040 -1.054 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -10.487 -4.361 0.929 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.522 -3.004 0.534 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -14.091 -3.388 0.637 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.210 -6.019 2.431 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -15.852 -4.301 2.126 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -12.969 -6.931 3.921 1.00 0.00 H new ATOM 0 HZ PHE A 76 -15.292 -6.072 3.769 1.00 0.00 H new ATOM 1013 N LEU A 77 -12.229 -3.451 -2.956 1.00 0.00 N ATOM 1014 CA LEU A 77 -12.185 -2.410 -3.962 1.00 0.00 C ATOM 1015 C LEU A 77 -12.424 -1.054 -3.313 1.00 0.00 C ATOM 1016 O LEU A 77 -13.364 -0.891 -2.537 1.00 0.00 O ATOM 1017 CB LEU A 77 -13.238 -2.691 -5.030 1.00 0.00 C ATOM 1018 CG LEU A 77 -13.709 -1.374 -5.640 1.00 0.00 C ATOM 1019 CD1 LEU A 77 -12.539 -0.692 -6.344 1.00 0.00 C ATOM 1020 CD2 LEU A 77 -14.821 -1.648 -6.648 1.00 0.00 C ATOM 0 H LEU A 77 -12.920 -4.179 -3.135 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.202 -2.396 -4.434 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -12.822 -3.335 -5.805 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.082 -3.224 -4.592 1.00 0.00 H new ATOM 0 HG LEU A 77 -14.087 -0.723 -4.851 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.875 0.249 -6.780 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -11.745 -0.495 -5.623 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.160 -1.342 -7.132 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -15.157 -0.707 -7.084 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -14.445 -2.299 -7.437 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -15.657 -2.134 -6.145 1.00 0.00 H new ATOM 1032 N PHE A 78 -11.571 -0.078 -3.633 1.00 0.00 N ATOM 1033 CA PHE A 78 -11.696 1.256 -3.081 1.00 0.00 C ATOM 1034 C PHE A 78 -13.139 1.729 -3.192 1.00 0.00 C ATOM 1035 O PHE A 78 -13.638 2.420 -2.308 1.00 0.00 O ATOM 1036 CB PHE A 78 -10.757 2.202 -3.823 1.00 0.00 C ATOM 1037 CG PHE A 78 -10.962 2.204 -5.319 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -11.959 3.005 -5.888 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -10.152 1.406 -6.137 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -12.147 3.008 -7.276 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -10.340 1.409 -7.524 1.00 0.00 C ATOM 1042 CZ PHE A 78 -11.338 2.210 -8.093 1.00 0.00 C ATOM 0 H PHE A 78 -10.787 -0.196 -4.274 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.420 1.245 -2.027 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -10.899 3.214 -3.443 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -9.726 1.922 -3.606 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -12.583 3.620 -5.257 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -9.383 0.789 -5.698 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -12.916 3.626 -7.716 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -9.716 0.794 -8.155 1.00 0.00 H new ATOM 0 HZ PHE A 78 -11.483 2.212 -9.163 1.00 0.00 H new ATOM 1052 N ASP A 79 -13.808 1.353 -4.285 1.00 0.00 N ATOM 1053 CA ASP A 79 -15.187 1.741 -4.506 1.00 0.00 C ATOM 1054 C ASP A 79 -16.049 1.260 -3.348 1.00 0.00 C ATOM 1055 O ASP A 79 -17.174 1.724 -3.175 1.00 0.00 O ATOM 1056 CB ASP A 79 -15.675 1.149 -5.826 1.00 0.00 C ATOM 1057 CG ASP A 79 -16.623 2.107 -6.534 1.00 0.00 C ATOM 1058 OD1 ASP A 79 -17.404 2.767 -5.815 1.00 0.00 O ATOM 1059 OD2 ASP A 79 -16.548 2.161 -7.780 1.00 0.00 O ATOM 0 H ASP A 79 -13.408 0.779 -5.027 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.260 2.827 -4.561 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -14.822 0.933 -6.470 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -16.181 0.202 -5.639 1.00 0.00 H new ATOM 1064 N GLY A 80 -15.521 0.327 -2.552 1.00 0.00 N ATOM 1065 CA GLY A 80 -16.248 -0.206 -1.418 1.00 0.00 C ATOM 1066 C GLY A 80 -16.932 -1.512 -1.797 1.00 0.00 C ATOM 1067 O GLY A 80 -17.959 -1.867 -1.224 1.00 0.00 O ATOM 0 H GLY A 80 -14.590 -0.070 -2.680 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.565 -0.373 -0.585 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.991 0.517 -1.081 1.00 0.00 H new ATOM 1071 N THR A 81 -16.359 -2.229 -2.767 1.00 0.00 N ATOM 1072 CA THR A 81 -16.917 -3.489 -3.214 1.00 0.00 C ATOM 1073 C THR A 81 -15.951 -4.623 -2.903 1.00 0.00 C ATOM 1074 O THR A 81 -14.737 -4.430 -2.917 1.00 0.00 O ATOM 1075 CB THR A 81 -17.201 -3.416 -4.712 1.00 0.00 C ATOM 1076 OG1 THR A 81 -18.401 -2.708 -4.928 1.00 0.00 O ATOM 1077 CG2 THR A 81 -17.335 -4.828 -5.274 1.00 0.00 C ATOM 0 H THR A 81 -15.507 -1.950 -3.253 1.00 0.00 H new ATOM 0 HA THR A 81 -17.852 -3.682 -2.689 1.00 0.00 H new ATOM 0 HB THR A 81 -16.380 -2.902 -5.213 1.00 0.00 H new ATOM 0 HG1 THR A 81 -18.583 -2.659 -5.890 1.00 0.00 H new ATOM 0 HG21 THR A 81 -17.538 -4.776 -6.344 1.00 0.00 H new ATOM 0 HG22 THR A 81 -16.408 -5.376 -5.107 1.00 0.00 H new ATOM 0 HG23 THR A 81 -18.155 -5.342 -4.774 1.00 0.00 H new ATOM 1085 N ARG A 82 -16.494 -5.810 -2.623 1.00 0.00 N ATOM 1086 CA ARG A 82 -15.682 -6.968 -2.310 1.00 0.00 C ATOM 1087 C ARG A 82 -15.303 -7.694 -3.593 1.00 0.00 C ATOM 1088 O ARG A 82 -16.077 -8.500 -4.104 1.00 0.00 O ATOM 1089 CB ARG A 82 -16.455 -7.893 -1.374 1.00 0.00 C ATOM 1090 CG ARG A 82 -15.474 -8.656 -0.489 1.00 0.00 C ATOM 1091 CD ARG A 82 -15.669 -10.156 -0.689 1.00 0.00 C ATOM 1092 NE ARG A 82 -16.813 -10.645 0.081 1.00 0.00 N ATOM 1093 CZ ARG A 82 -16.719 -11.011 1.367 1.00 0.00 C ATOM 1094 NH1 ARG A 82 -15.541 -10.936 2.001 1.00 0.00 N ATOM 1095 NH2 ARG A 82 -17.803 -11.452 2.019 1.00 0.00 N ATOM 0 H ARG A 82 -17.499 -5.986 -2.609 1.00 0.00 H new ATOM 0 HA ARG A 82 -14.766 -6.651 -1.811 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -17.142 -7.313 -0.758 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -17.059 -8.592 -1.953 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -14.450 -8.375 -0.737 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -15.632 -8.394 0.557 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -15.821 -10.368 -1.747 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -14.767 -10.687 -0.384 1.00 0.00 H new ATOM 0 HE ARG A 82 -17.720 -10.710 -0.380 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -14.715 -10.600 1.505 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -15.470 -11.215 2.980 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -18.700 -11.509 1.537 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -17.731 -11.731 2.998 1.00 0.00 H new ATOM 1109 N TRP A 83 -14.107 -7.408 -4.114 1.00 0.00 N ATOM 1110 CA TRP A 83 -13.637 -8.037 -5.331 1.00 0.00 C ATOM 1111 C TRP A 83 -13.484 -9.536 -5.114 1.00 0.00 C ATOM 1112 O TRP A 83 -14.056 -10.334 -5.852 1.00 0.00 O ATOM 1113 CB TRP A 83 -12.307 -7.412 -5.745 1.00 0.00 C ATOM 1114 CG TRP A 83 -12.212 -7.033 -7.188 1.00 0.00 C ATOM 1115 CD1 TRP A 83 -12.394 -5.789 -7.682 1.00 0.00 C ATOM 1116 CD2 TRP A 83 -11.914 -7.880 -8.340 1.00 0.00 C ATOM 1117 NE1 TRP A 83 -12.231 -5.808 -9.051 1.00 0.00 N ATOM 1118 CE2 TRP A 83 -11.934 -7.074 -9.510 1.00 0.00 C ATOM 1119 CE3 TRP A 83 -11.630 -9.246 -8.515 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 -11.686 -7.593 -10.784 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 -11.380 -9.777 -9.789 1.00 0.00 C ATOM 1122 CH2 TRP A 83 -11.407 -8.956 -10.923 1.00 0.00 C ATOM 0 H TRP A 83 -13.452 -6.742 -3.704 1.00 0.00 H new ATOM 0 HA TRP A 83 -14.363 -7.879 -6.129 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -12.136 -6.523 -5.139 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -11.505 -8.114 -5.515 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -12.631 -4.914 -7.095 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -12.319 -4.987 -9.650 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -11.604 -9.897 -7.654 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -11.710 -6.949 -11.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -11.164 -10.830 -9.896 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -11.213 -9.373 -11.900 1.00 0.00 H new ATOM 1133 N GLY A 84 -12.708 -9.917 -4.097 1.00 0.00 N ATOM 1134 CA GLY A 84 -12.487 -11.317 -3.792 1.00 0.00 C ATOM 1135 C GLY A 84 -11.089 -11.518 -3.223 1.00 0.00 C ATOM 1136 O GLY A 84 -10.272 -10.600 -3.236 1.00 0.00 O ATOM 0 H GLY A 84 -12.225 -9.269 -3.475 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.232 -11.662 -3.075 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.610 -11.917 -4.694 1.00 0.00 H new ATOM 1140 N THR A 85 -10.814 -12.725 -2.723 1.00 0.00 N ATOM 1141 CA THR A 85 -9.518 -13.037 -2.156 1.00 0.00 C ATOM 1142 C THR A 85 -8.453 -13.002 -3.242 1.00 0.00 C ATOM 1143 O THR A 85 -8.352 -13.927 -4.046 1.00 0.00 O ATOM 1144 CB THR A 85 -9.571 -14.412 -1.494 1.00 0.00 C ATOM 1145 OG1 THR A 85 -10.848 -14.614 -0.934 1.00 0.00 O ATOM 1146 CG2 THR A 85 -8.515 -14.489 -0.395 1.00 0.00 C ATOM 0 H THR A 85 -11.479 -13.498 -2.703 1.00 0.00 H new ATOM 0 HA THR A 85 -9.260 -12.293 -1.402 1.00 0.00 H new ATOM 0 HB THR A 85 -9.375 -15.182 -2.240 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.883 -15.497 -0.510 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.553 -15.470 0.078 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.527 -14.333 -0.828 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.710 -13.719 0.352 1.00 0.00 H new ATOM 1154 N VAL A 86 -7.657 -11.931 -3.265 1.00 0.00 N ATOM 1155 CA VAL A 86 -6.605 -11.780 -4.250 1.00 0.00 C ATOM 1156 C VAL A 86 -5.389 -12.594 -3.834 1.00 0.00 C ATOM 1157 O VAL A 86 -5.189 -12.853 -2.649 1.00 0.00 O ATOM 1158 CB VAL A 86 -6.247 -10.303 -4.388 1.00 0.00 C ATOM 1159 CG1 VAL A 86 -7.464 -9.528 -4.884 1.00 0.00 C ATOM 1160 CG2 VAL A 86 -5.814 -9.757 -3.030 1.00 0.00 C ATOM 0 H VAL A 86 -7.729 -11.156 -2.605 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.950 -12.148 -5.216 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.431 -10.192 -5.102 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -7.208 -8.473 -4.983 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -7.774 -9.918 -5.853 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -8.281 -9.638 -4.171 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -5.558 -8.702 -3.127 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -6.630 -9.868 -2.316 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -4.944 -10.310 -2.676 1.00 0.00 H new ATOM 1170 N ASP A 87 -4.576 -12.999 -4.812 1.00 0.00 N ATOM 1171 CA ASP A 87 -3.386 -13.781 -4.542 1.00 0.00 C ATOM 1172 C ASP A 87 -2.146 -12.959 -4.863 1.00 0.00 C ATOM 1173 O ASP A 87 -1.682 -12.952 -6.001 1.00 0.00 O ATOM 1174 CB ASP A 87 -3.419 -15.059 -5.375 1.00 0.00 C ATOM 1175 CG ASP A 87 -4.080 -16.194 -4.605 1.00 0.00 C ATOM 1176 OD1 ASP A 87 -3.630 -16.443 -3.466 1.00 0.00 O ATOM 1177 OD2 ASP A 87 -5.022 -16.790 -5.170 1.00 0.00 O ATOM 0 H ASP A 87 -4.728 -12.793 -5.799 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.355 -14.052 -3.487 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.962 -14.879 -6.303 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.404 -15.344 -5.651 1.00 0.00 H new ATOM 1182 N CYS A 88 -1.610 -12.266 -3.856 1.00 0.00 N ATOM 1183 CA CYS A 88 -0.429 -11.445 -4.036 1.00 0.00 C ATOM 1184 C CYS A 88 0.681 -12.273 -4.667 1.00 0.00 C ATOM 1185 O CYS A 88 1.575 -11.728 -5.311 1.00 0.00 O ATOM 1186 CB CYS A 88 0.013 -10.889 -2.685 1.00 0.00 C ATOM 1187 SG CYS A 88 -0.724 -9.287 -2.274 1.00 0.00 S ATOM 0 H CYS A 88 -1.983 -12.263 -2.907 1.00 0.00 H new ATOM 0 HA CYS A 88 -0.657 -10.611 -4.700 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -0.244 -11.607 -1.906 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.098 -10.790 -2.681 1.00 0.00 H new ATOM 1192 N THR A 89 0.624 -13.594 -4.482 1.00 0.00 N ATOM 1193 CA THR A 89 1.625 -14.484 -5.036 1.00 0.00 C ATOM 1194 C THR A 89 1.303 -14.785 -6.492 1.00 0.00 C ATOM 1195 O THR A 89 2.009 -15.553 -7.142 1.00 0.00 O ATOM 1196 CB THR A 89 1.669 -15.770 -4.216 1.00 0.00 C ATOM 1197 OG1 THR A 89 0.378 -16.335 -4.157 1.00 0.00 O ATOM 1198 CG2 THR A 89 2.151 -15.456 -2.802 1.00 0.00 C ATOM 0 H THR A 89 -0.109 -14.063 -3.951 1.00 0.00 H new ATOM 0 HA THR A 89 2.604 -14.006 -4.994 1.00 0.00 H new ATOM 0 HB THR A 89 2.354 -16.476 -4.685 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.406 -17.162 -3.632 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.183 -16.375 -2.216 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.149 -15.019 -2.846 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.466 -14.750 -2.333 1.00 0.00 H new ATOM 1206 N THR A 90 0.232 -14.176 -7.006 1.00 0.00 N ATOM 1207 CA THR A 90 -0.174 -14.382 -8.382 1.00 0.00 C ATOM 1208 C THR A 90 -0.074 -13.074 -9.154 1.00 0.00 C ATOM 1209 O THR A 90 0.123 -13.080 -10.367 1.00 0.00 O ATOM 1210 CB THR A 90 -1.602 -14.921 -8.415 1.00 0.00 C ATOM 1211 OG1 THR A 90 -1.575 -16.327 -8.311 1.00 0.00 O ATOM 1212 CG2 THR A 90 -2.267 -14.520 -9.728 1.00 0.00 C ATOM 0 H THR A 90 -0.365 -13.536 -6.482 1.00 0.00 H new ATOM 0 HA THR A 90 0.487 -15.109 -8.854 1.00 0.00 H new ATOM 0 HB THR A 90 -2.167 -14.506 -7.581 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.491 -16.674 -8.330 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.287 -14.905 -9.752 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.287 -13.433 -9.809 1.00 0.00 H new ATOM 0 HG23 THR A 90 -1.703 -14.935 -10.563 1.00 0.00 H new ATOM 1220 N ALA A 91 -0.210 -11.951 -8.446 1.00 0.00 N ATOM 1221 CA ALA A 91 -0.136 -10.643 -9.065 1.00 0.00 C ATOM 1222 C ALA A 91 0.762 -9.732 -8.240 1.00 0.00 C ATOM 1223 O ALA A 91 1.281 -10.142 -7.204 1.00 0.00 O ATOM 1224 CB ALA A 91 -1.540 -10.057 -9.184 1.00 0.00 C ATOM 0 H ALA A 91 -0.372 -11.930 -7.439 1.00 0.00 H new ATOM 0 HA ALA A 91 0.291 -10.732 -10.064 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.485 -9.073 -9.650 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.158 -10.714 -9.796 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.981 -9.965 -8.192 1.00 0.00 H new ATOM 1230 N ALA A 92 0.943 -8.492 -8.702 1.00 0.00 N ATOM 1231 CA ALA A 92 1.776 -7.532 -8.006 1.00 0.00 C ATOM 1232 C ALA A 92 0.907 -6.611 -7.162 1.00 0.00 C ATOM 1233 O ALA A 92 -0.031 -6.001 -7.670 1.00 0.00 O ATOM 1234 CB ALA A 92 2.584 -6.731 -9.023 1.00 0.00 C ATOM 0 H ALA A 92 0.518 -8.137 -9.559 1.00 0.00 H new ATOM 0 HA ALA A 92 2.466 -8.055 -7.344 1.00 0.00 H new ATOM 0 HB1 ALA A 92 3.211 -6.008 -8.501 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.214 -7.407 -9.601 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.905 -6.205 -9.694 1.00 0.00 H new ATOM 1240 N CYS A 93 1.220 -6.513 -5.868 1.00 0.00 N ATOM 1241 CA CYS A 93 0.469 -5.670 -4.960 1.00 0.00 C ATOM 1242 C CYS A 93 1.266 -4.412 -4.646 1.00 0.00 C ATOM 1243 O CYS A 93 2.421 -4.290 -5.051 1.00 0.00 O ATOM 1244 CB CYS A 93 0.159 -6.446 -3.684 1.00 0.00 C ATOM 1245 SG CYS A 93 -0.387 -8.148 -3.973 1.00 0.00 S ATOM 0 H CYS A 93 1.994 -7.014 -5.432 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.471 -5.374 -5.426 1.00 0.00 H new ATOM 0 HB2 CYS A 93 1.049 -6.462 -3.055 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -0.614 -5.917 -3.128 1.00 0.00 H new ATOM 1250 N GLN A 94 0.648 -3.475 -3.923 1.00 0.00 N ATOM 1251 CA GLN A 94 1.303 -2.234 -3.561 1.00 0.00 C ATOM 1252 C GLN A 94 0.694 -1.684 -2.279 1.00 0.00 C ATOM 1253 O GLN A 94 -0.497 -1.859 -2.030 1.00 0.00 O ATOM 1254 CB GLN A 94 1.156 -1.232 -4.703 1.00 0.00 C ATOM 1255 CG GLN A 94 0.051 -0.235 -4.366 1.00 0.00 C ATOM 1256 CD GLN A 94 -0.517 0.393 -5.631 1.00 0.00 C ATOM 1257 OE1 GLN A 94 -1.364 -0.200 -6.295 1.00 0.00 O ATOM 1258 NE2 GLN A 94 -0.046 1.598 -5.964 1.00 0.00 N ATOM 0 H GLN A 94 -0.309 -3.561 -3.580 1.00 0.00 H new ATOM 0 HA GLN A 94 2.364 -2.415 -3.387 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.098 -0.707 -4.864 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.919 -1.754 -5.630 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.744 -0.739 -3.817 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.445 0.544 -3.713 1.00 0.00 H new ATOM 0 HE21 GLN A 94 0.658 2.050 -5.380 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -0.390 2.066 -6.802 1.00 0.00 H new ATOM 1267 N VAL A 95 1.516 -1.017 -1.465 1.00 0.00 N ATOM 1268 CA VAL A 95 1.056 -0.445 -0.215 1.00 0.00 C ATOM 1269 C VAL A 95 0.924 1.064 -0.358 1.00 0.00 C ATOM 1270 O VAL A 95 1.439 1.647 -1.309 1.00 0.00 O ATOM 1271 CB VAL A 95 2.039 -0.800 0.897 1.00 0.00 C ATOM 1272 CG1 VAL A 95 1.915 0.216 2.029 1.00 0.00 C ATOM 1273 CG2 VAL A 95 1.722 -2.195 1.429 1.00 0.00 C ATOM 0 H VAL A 95 2.506 -0.864 -1.658 1.00 0.00 H new ATOM 0 HA VAL A 95 0.078 -0.853 0.040 1.00 0.00 H new ATOM 0 HB VAL A 95 3.055 -0.783 0.503 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.617 -0.037 2.824 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.140 1.213 1.650 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.899 0.199 2.423 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.424 -2.450 2.223 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.706 -2.212 1.823 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.810 -2.921 0.621 1.00 0.00 H new ATOM 1283 N GLY A 96 0.232 1.698 0.592 1.00 0.00 N ATOM 1284 CA GLY A 96 0.039 3.134 0.563 1.00 0.00 C ATOM 1285 C GLY A 96 -0.747 3.586 1.785 1.00 0.00 C ATOM 1286 O GLY A 96 -1.333 2.765 2.488 1.00 0.00 O ATOM 0 H GLY A 96 -0.201 1.231 1.388 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.006 3.637 0.537 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.493 3.418 -0.345 1.00 0.00 H new ATOM 1290 N LEU A 97 -0.759 4.897 2.038 1.00 0.00 N ATOM 1291 CA LEU A 97 -1.472 5.452 3.171 1.00 0.00 C ATOM 1292 C LEU A 97 -2.355 6.603 2.713 1.00 0.00 C ATOM 1293 O LEU A 97 -1.907 7.476 1.972 1.00 0.00 O ATOM 1294 CB LEU A 97 -0.469 5.924 4.220 1.00 0.00 C ATOM 1295 CG LEU A 97 0.319 7.110 3.672 1.00 0.00 C ATOM 1296 CD1 LEU A 97 0.406 8.199 4.738 1.00 0.00 C ATOM 1297 CD2 LEU A 97 1.726 6.655 3.294 1.00 0.00 C ATOM 0 H LEU A 97 -0.278 5.590 1.465 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.109 4.687 3.614 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.990 6.211 5.134 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.210 5.112 4.481 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.185 7.504 2.790 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.969 9.047 4.347 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.599 8.524 5.009 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.910 7.805 5.621 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.289 7.502 2.902 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.230 6.261 4.176 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.665 5.877 2.533 1.00 0.00 H new ATOM 1309 N SER A 98 -3.614 6.605 3.157 1.00 0.00 N ATOM 1310 CA SER A 98 -4.551 7.648 2.792 1.00 0.00 C ATOM 1311 C SER A 98 -4.919 8.466 4.022 1.00 0.00 C ATOM 1312 O SER A 98 -4.909 7.951 5.138 1.00 0.00 O ATOM 1313 CB SER A 98 -5.794 7.020 2.168 1.00 0.00 C ATOM 1314 OG SER A 98 -6.458 7.979 1.376 1.00 0.00 O ATOM 0 H SER A 98 -4.001 5.889 3.772 1.00 0.00 H new ATOM 0 HA SER A 98 -4.092 8.314 2.062 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.514 6.161 1.559 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.460 6.653 2.949 1.00 0.00 H new ATOM 0 HG SER A 98 -7.255 7.576 0.974 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.247 9.743 3.816 1.00 0.00 N ATOM 1321 CA ASP A 99 -5.616 10.623 4.906 1.00 0.00 C ATOM 1322 C ASP A 99 -7.098 10.957 4.819 1.00 0.00 C ATOM 1323 O ASP A 99 -7.848 10.279 4.120 1.00 0.00 O ATOM 1324 CB ASP A 99 -4.771 11.893 4.842 1.00 0.00 C ATOM 1325 CG ASP A 99 -5.456 12.960 4.001 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.415 12.816 2.760 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -6.007 13.899 4.614 1.00 0.00 O ATOM 0 H ASP A 99 -5.262 10.184 2.897 1.00 0.00 H new ATOM 0 HA ASP A 99 -5.431 10.126 5.858 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.601 12.272 5.850 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -3.793 11.663 4.419 1.00 0.00 H new ATOM 1332 N ALA A 100 -7.519 12.004 5.532 1.00 0.00 N ATOM 1333 CA ALA A 100 -8.907 12.420 5.532 1.00 0.00 C ATOM 1334 C ALA A 100 -9.297 12.916 4.147 1.00 0.00 C ATOM 1335 O ALA A 100 -10.328 12.517 3.610 1.00 0.00 O ATOM 1336 CB ALA A 100 -9.109 13.515 6.576 1.00 0.00 C ATOM 0 H ALA A 100 -6.909 12.576 6.116 1.00 0.00 H new ATOM 0 HA ALA A 100 -9.545 11.573 5.785 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -10.153 13.829 6.577 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.845 13.131 7.561 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.474 14.368 6.336 1.00 0.00 H new ATOM 1342 N ALA A 101 -8.469 13.790 3.569 1.00 0.00 N ATOM 1343 CA ALA A 101 -8.732 14.336 2.253 1.00 0.00 C ATOM 1344 C ALA A 101 -8.612 13.238 1.206 1.00 0.00 C ATOM 1345 O ALA A 101 -9.202 13.335 0.132 1.00 0.00 O ATOM 1346 CB ALA A 101 -7.747 15.466 1.967 1.00 0.00 C ATOM 0 H ALA A 101 -7.610 14.130 4.001 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.745 14.736 2.216 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.943 15.878 0.977 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -7.864 16.249 2.716 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.729 15.079 2.003 1.00 0.00 H new ATOM 1352 N GLY A 102 -7.846 12.191 1.520 1.00 0.00 N ATOM 1353 CA GLY A 102 -7.657 11.085 0.603 1.00 0.00 C ATOM 1354 C GLY A 102 -6.399 11.298 -0.228 1.00 0.00 C ATOM 1355 O GLY A 102 -6.449 11.256 -1.456 1.00 0.00 O ATOM 0 H GLY A 102 -7.349 12.094 2.406 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -7.580 10.151 1.160 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -8.523 10.995 -0.052 1.00 0.00 H new ATOM 1359 N ASN A 103 -5.269 11.529 0.444 1.00 0.00 N ATOM 1360 CA ASN A 103 -4.008 11.747 -0.235 1.00 0.00 C ATOM 1361 C ASN A 103 -2.916 10.912 0.419 1.00 0.00 C ATOM 1362 O ASN A 103 -3.122 10.343 1.488 1.00 0.00 O ATOM 1363 CB ASN A 103 -3.656 13.231 -0.187 1.00 0.00 C ATOM 1364 CG ASN A 103 -2.688 13.523 0.951 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -1.626 14.100 0.730 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -3.058 13.124 2.170 1.00 0.00 N ATOM 0 H ASN A 103 -5.211 11.568 1.462 1.00 0.00 H new ATOM 0 HA ASN A 103 -4.095 11.440 -1.277 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -3.211 13.534 -1.135 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -4.564 13.820 -0.058 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -2.448 13.295 2.970 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -3.951 12.648 2.302 1.00 0.00 H new ATOM 1373 N GLY A 104 -1.749 10.841 -0.227 1.00 0.00 N ATOM 1374 CA GLY A 104 -0.635 10.077 0.297 1.00 0.00 C ATOM 1375 C GLY A 104 0.627 10.368 -0.503 1.00 0.00 C ATOM 1376 O GLY A 104 0.571 11.032 -1.536 1.00 0.00 O ATOM 0 H GLY A 104 -1.560 11.307 -1.114 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -0.475 10.327 1.346 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.863 9.012 0.255 1.00 0.00 H new ATOM 1380 N PRO A 105 1.768 9.869 -0.022 1.00 0.00 N ATOM 1381 CA PRO A 105 3.062 10.042 -0.647 1.00 0.00 C ATOM 1382 C PRO A 105 3.138 9.192 -1.907 1.00 0.00 C ATOM 1383 O PRO A 105 2.257 8.373 -2.160 1.00 0.00 O ATOM 1384 CB PRO A 105 4.068 9.564 0.398 1.00 0.00 C ATOM 1385 CG PRO A 105 3.281 8.502 1.164 1.00 0.00 C ATOM 1386 CD PRO A 105 1.870 9.084 1.189 1.00 0.00 C ATOM 0 HA PRO A 105 3.255 11.072 -0.946 1.00 0.00 H new ATOM 0 HB2 PRO A 105 4.964 9.149 -0.063 1.00 0.00 H new ATOM 0 HB3 PRO A 105 4.391 10.376 1.049 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.311 7.535 0.662 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.675 8.352 2.169 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.118 8.295 1.213 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.713 9.701 2.074 1.00 0.00 H new ATOM 1394 N GLU A 106 4.195 9.388 -2.699 1.00 0.00 N ATOM 1395 CA GLU A 106 4.377 8.639 -3.926 1.00 0.00 C ATOM 1396 C GLU A 106 3.919 7.200 -3.730 1.00 0.00 C ATOM 1397 O GLU A 106 4.430 6.497 -2.860 1.00 0.00 O ATOM 1398 CB GLU A 106 5.845 8.688 -4.337 1.00 0.00 C ATOM 1399 CG GLU A 106 6.725 8.509 -3.104 1.00 0.00 C ATOM 1400 CD GLU A 106 7.696 7.351 -3.292 1.00 0.00 C ATOM 1401 OE1 GLU A 106 8.730 7.580 -3.956 1.00 0.00 O ATOM 1402 OE2 GLU A 106 7.385 6.260 -2.769 1.00 0.00 O ATOM 0 H GLU A 106 4.935 10.063 -2.504 1.00 0.00 H new ATOM 0 HA GLU A 106 3.775 9.084 -4.719 1.00 0.00 H new ATOM 0 HB2 GLU A 106 6.056 7.904 -5.064 1.00 0.00 H new ATOM 0 HB3 GLU A 106 6.067 9.640 -4.820 1.00 0.00 H new ATOM 0 HG2 GLU A 106 7.281 9.427 -2.913 1.00 0.00 H new ATOM 0 HG3 GLU A 106 6.100 8.326 -2.230 1.00 0.00 H new ATOM 1409 N GLY A 107 2.954 6.762 -4.541 1.00 0.00 N ATOM 1410 CA GLY A 107 2.437 5.412 -4.449 1.00 0.00 C ATOM 1411 C GLY A 107 3.574 4.427 -4.216 1.00 0.00 C ATOM 1412 O GLY A 107 4.739 4.759 -4.422 1.00 0.00 O ATOM 0 H GLY A 107 2.519 7.331 -5.268 1.00 0.00 H new ATOM 0 HA2 GLY A 107 1.716 5.346 -3.634 1.00 0.00 H new ATOM 0 HA3 GLY A 107 1.906 5.155 -5.366 1.00 0.00 H new ATOM 1416 N VAL A 108 3.232 3.211 -3.784 1.00 0.00 N ATOM 1417 CA VAL A 108 4.222 2.185 -3.524 1.00 0.00 C ATOM 1418 C VAL A 108 3.950 0.972 -4.403 1.00 0.00 C ATOM 1419 O VAL A 108 3.043 0.192 -4.123 1.00 0.00 O ATOM 1420 CB VAL A 108 4.182 1.803 -2.047 1.00 0.00 C ATOM 1421 CG1 VAL A 108 4.900 0.471 -1.846 1.00 0.00 C ATOM 1422 CG2 VAL A 108 4.876 2.884 -1.224 1.00 0.00 C ATOM 0 H VAL A 108 2.270 2.920 -3.609 1.00 0.00 H new ATOM 0 HA VAL A 108 5.216 2.565 -3.760 1.00 0.00 H new ATOM 0 HB VAL A 108 3.145 1.709 -1.724 1.00 0.00 H new ATOM 0 HG11 VAL A 108 4.872 0.198 -0.791 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.405 -0.302 -2.434 1.00 0.00 H new ATOM 0 HG13 VAL A 108 5.937 0.564 -2.169 1.00 0.00 H new ATOM 0 HG21 VAL A 108 4.848 2.612 -0.169 1.00 0.00 H new ATOM 0 HG22 VAL A 108 5.913 2.978 -1.547 1.00 0.00 H new ATOM 0 HG23 VAL A 108 4.364 3.835 -1.367 1.00 0.00 H new ATOM 1432 N ALA A 109 4.739 0.816 -5.468 1.00 0.00 N ATOM 1433 CA ALA A 109 4.579 -0.298 -6.381 1.00 0.00 C ATOM 1434 C ALA A 109 5.337 -1.508 -5.855 1.00 0.00 C ATOM 1435 O ALA A 109 6.551 -1.451 -5.673 1.00 0.00 O ATOM 1436 CB ALA A 109 5.087 0.101 -7.763 1.00 0.00 C ATOM 0 H ALA A 109 5.496 1.454 -5.713 1.00 0.00 H new ATOM 0 HA ALA A 109 3.524 -0.561 -6.459 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.967 -0.736 -8.450 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.516 0.955 -8.128 1.00 0.00 H new ATOM 0 HB3 ALA A 109 6.141 0.370 -7.699 1.00 0.00 H new ATOM 1442 N ILE A 110 4.618 -2.607 -5.612 1.00 0.00 N ATOM 1443 CA ILE A 110 5.223 -3.824 -5.111 1.00 0.00 C ATOM 1444 C ILE A 110 4.802 -5.003 -5.977 1.00 0.00 C ATOM 1445 O ILE A 110 4.073 -4.830 -6.951 1.00 0.00 O ATOM 1446 CB ILE A 110 4.804 -4.040 -3.660 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.283 -4.131 -3.578 1.00 0.00 C ATOM 1448 CG2 ILE A 110 5.290 -2.870 -2.810 1.00 0.00 C ATOM 1449 CD1 ILE A 110 2.889 -5.057 -2.431 1.00 0.00 C ATOM 0 H ILE A 110 3.610 -2.669 -5.758 1.00 0.00 H new ATOM 0 HA ILE A 110 6.309 -3.739 -5.152 1.00 0.00 H new ATOM 0 HB ILE A 110 5.244 -4.966 -3.289 1.00 0.00 H new ATOM 0 HG12 ILE A 110 2.857 -3.140 -3.422 1.00 0.00 H new ATOM 0 HG13 ILE A 110 2.879 -4.507 -4.518 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.991 -3.024 -1.773 1.00 0.00 H new ATOM 0 HG22 ILE A 110 6.376 -2.805 -2.868 1.00 0.00 H new ATOM 0 HG23 ILE A 110 4.851 -1.944 -3.180 1.00 0.00 H new ATOM 0 HD11 ILE A 110 1.803 -5.122 -2.373 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.303 -6.050 -2.606 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.280 -4.662 -1.493 1.00 0.00 H new ATOM 1461 N SER A 111 5.264 -6.204 -5.620 1.00 0.00 N ATOM 1462 CA SER A 111 4.931 -7.401 -6.365 1.00 0.00 C ATOM 1463 C SER A 111 5.350 -8.634 -5.575 1.00 0.00 C ATOM 1464 O SER A 111 6.028 -8.520 -4.556 1.00 0.00 O ATOM 1465 CB SER A 111 5.629 -7.366 -7.721 1.00 0.00 C ATOM 1466 OG SER A 111 6.604 -8.383 -7.775 1.00 0.00 O ATOM 0 H SER A 111 5.871 -6.364 -4.816 1.00 0.00 H new ATOM 0 HA SER A 111 3.854 -7.445 -6.526 1.00 0.00 H new ATOM 0 HB2 SER A 111 4.901 -7.503 -8.520 1.00 0.00 H new ATOM 0 HB3 SER A 111 6.094 -6.393 -7.877 1.00 0.00 H new ATOM 0 HG SER A 111 7.051 -8.361 -8.647 1.00 0.00 H new ATOM 1472 N PHE A 112 4.945 -9.814 -6.048 1.00 0.00 N ATOM 1473 CA PHE A 112 5.281 -11.058 -5.385 1.00 0.00 C ATOM 1474 C PHE A 112 6.025 -11.972 -6.349 1.00 0.00 C ATOM 1475 O PHE A 112 5.462 -12.412 -7.349 1.00 0.00 O ATOM 1476 CB PHE A 112 4.005 -11.725 -4.881 1.00 0.00 C ATOM 1477 CG PHE A 112 3.390 -11.028 -3.691 1.00 0.00 C ATOM 1478 CD1 PHE A 112 3.044 -9.675 -3.774 1.00 0.00 C ATOM 1479 CD2 PHE A 112 3.164 -11.737 -2.505 1.00 0.00 C ATOM 1480 CE1 PHE A 112 2.472 -9.029 -2.671 1.00 0.00 C ATOM 1481 CE2 PHE A 112 2.592 -11.092 -1.402 1.00 0.00 C ATOM 1482 CZ PHE A 112 2.246 -9.738 -1.485 1.00 0.00 C ATOM 0 H PHE A 112 4.382 -9.926 -6.891 1.00 0.00 H new ATOM 0 HA PHE A 112 5.931 -10.857 -4.533 1.00 0.00 H new ATOM 0 HB2 PHE A 112 3.276 -11.755 -5.691 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.226 -12.758 -4.613 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.218 -9.128 -4.689 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.431 -12.782 -2.441 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.205 -7.984 -2.735 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.418 -11.639 -0.487 1.00 0.00 H new ATOM 0 HZ PHE A 112 1.805 -9.240 -0.634 1.00 0.00 H new ATOM 1492 N ASN A 113 7.293 -12.259 -6.045 1.00 0.00 N ATOM 1493 CA ASN A 113 8.103 -13.118 -6.884 1.00 0.00 C ATOM 1494 C ASN A 113 7.861 -12.790 -8.351 1.00 0.00 C ATOM 1495 O ASN A 113 8.472 -13.388 -9.233 1.00 0.00 O ATOM 1496 CB ASN A 113 7.762 -14.577 -6.594 1.00 0.00 C ATOM 1497 CG ASN A 113 6.304 -14.869 -6.918 1.00 0.00 C ATOM 1498 OD1 ASN A 113 5.973 -15.201 -8.055 1.00 0.00 O ATOM 1499 ND2 ASN A 113 5.431 -14.747 -5.916 1.00 0.00 N ATOM 0 H ASN A 113 7.774 -11.903 -5.219 1.00 0.00 H new ATOM 0 HA ASN A 113 9.158 -12.953 -6.666 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.407 -15.229 -7.183 1.00 0.00 H new ATOM 0 HB3 ASN A 113 7.957 -14.798 -5.545 1.00 0.00 H new ATOM 0 HD21 ASN A 113 4.441 -14.932 -6.077 1.00 0.00 H new ATOM 0 HD22 ASN A 113 5.754 -14.469 -4.989 1.00 0.00 H new