USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 700 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.0968 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -57:sc= 0.214 USER MOD Single : A 5 SER OG : rot -50:sc= 0.614 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -1.8 K(o=-1.8,f=-3.4!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 120:sc= -0.188 USER MOD Single : A 35 HIS :FLIP no HD1:sc= -0.955 F(o=-2,f=-0.95) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -6.86! C(o=-6.9!,f=-15!) USER MOD Single : A 52 THR OG1 : rot -150:sc= -0.025 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -150:sc= -0.142 (180deg=-0.644) USER MOD Single : A 65 ASN : amide:sc= -1.41 X(o=-1.4,f=-0.98) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.276) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 TYR OH : rot -177:sc= 1.55 USER MOD Single : A 77 CYS SG : rot 175:sc= -0.824 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.395 USER MOD Single : A 95 SER OG : rot 180:sc= -0.154 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.996 -31.206 30.445 1.00 0.00 N ATOM 2 CA GLY A 1 -9.964 -31.051 28.964 1.00 0.00 C ATOM 3 C GLY A 1 -8.567 -31.201 28.396 1.00 0.00 C ATOM 4 O GLY A 1 -7.620 -31.495 29.126 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.628 -31.993 30.698 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.037 -31.406 30.794 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.346 -30.328 30.878 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.619 -31.794 28.510 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.359 -30.071 28.696 1.00 0.00 H new ATOM 10 N SER A 2 -8.438 -30.999 27.088 1.00 0.00 N ATOM 11 CA SER A 2 -7.147 -31.114 26.421 1.00 0.00 C ATOM 12 C SER A 2 -6.867 -29.885 25.560 1.00 0.00 C ATOM 13 O SER A 2 -6.273 -29.988 24.488 1.00 0.00 O ATOM 14 CB SER A 2 -7.106 -32.375 25.556 1.00 0.00 C ATOM 15 OG SER A 2 -5.781 -32.855 25.412 1.00 0.00 O ATOM 0 H SER A 2 -9.212 -30.755 26.470 1.00 0.00 H new ATOM 0 HA SER A 2 -6.376 -31.182 27.188 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.729 -33.148 26.006 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.526 -32.159 24.574 1.00 0.00 H new ATOM 0 HG SER A 2 -5.784 -33.662 24.856 1.00 0.00 H new ATOM 21 N SER A 3 -7.300 -28.723 26.040 1.00 0.00 N ATOM 22 CA SER A 3 -7.096 -27.475 25.316 1.00 0.00 C ATOM 23 C SER A 3 -6.890 -26.313 26.282 1.00 0.00 C ATOM 24 O SER A 3 -7.462 -25.236 26.107 1.00 0.00 O ATOM 25 CB SER A 3 -8.290 -27.191 24.402 1.00 0.00 C ATOM 26 OG SER A 3 -7.994 -26.154 23.483 1.00 0.00 O ATOM 0 H SER A 3 -7.794 -28.621 26.927 1.00 0.00 H new ATOM 0 HA SER A 3 -6.198 -27.579 24.707 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.559 -28.097 23.859 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.154 -26.912 25.004 1.00 0.00 H new ATOM 0 HG SER A 3 -7.723 -25.350 23.973 1.00 0.00 H new ATOM 32 N GLY A 4 -6.071 -26.538 27.305 1.00 0.00 N ATOM 33 CA GLY A 4 -5.804 -25.502 28.284 1.00 0.00 C ATOM 34 C GLY A 4 -4.804 -24.477 27.788 1.00 0.00 C ATOM 35 O GLY A 4 -5.186 -23.419 27.286 1.00 0.00 O ATOM 0 H GLY A 4 -5.588 -27.420 27.473 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.737 -25.000 28.540 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.427 -25.960 29.199 1.00 0.00 H new ATOM 39 N SER A 5 -3.520 -24.789 27.928 1.00 0.00 N ATOM 40 CA SER A 5 -2.461 -23.887 27.491 1.00 0.00 C ATOM 41 C SER A 5 -1.914 -24.308 26.131 1.00 0.00 C ATOM 42 O SER A 5 -0.716 -24.198 25.872 1.00 0.00 O ATOM 43 CB SER A 5 -1.331 -23.855 28.522 1.00 0.00 C ATOM 44 OG SER A 5 -0.370 -22.866 28.196 1.00 0.00 O ATOM 0 H SER A 5 -3.188 -25.660 28.341 1.00 0.00 H new ATOM 0 HA SER A 5 -2.885 -22.887 27.397 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.743 -23.654 29.511 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.850 -24.832 28.569 1.00 0.00 H new ATOM 0 HG SER A 5 -0.107 -22.963 27.257 1.00 0.00 H new ATOM 50 N SER A 6 -2.799 -24.792 25.266 1.00 0.00 N ATOM 51 CA SER A 6 -2.405 -25.229 23.932 1.00 0.00 C ATOM 52 C SER A 6 -3.104 -24.399 22.858 1.00 0.00 C ATOM 53 O SER A 6 -4.153 -24.788 22.346 1.00 0.00 O ATOM 54 CB SER A 6 -2.730 -26.712 23.743 1.00 0.00 C ATOM 55 OG SER A 6 -1.547 -27.491 23.690 1.00 0.00 O ATOM 0 H SER A 6 -3.794 -24.892 25.465 1.00 0.00 H new ATOM 0 HA SER A 6 -1.329 -25.085 23.831 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.360 -27.057 24.563 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.300 -26.848 22.824 1.00 0.00 H new ATOM 0 HG SER A 6 -1.782 -28.435 23.571 1.00 0.00 H new ATOM 61 N GLY A 7 -2.515 -23.255 22.525 1.00 0.00 N ATOM 62 CA GLY A 7 -3.095 -22.390 21.515 1.00 0.00 C ATOM 63 C GLY A 7 -2.128 -21.324 21.041 1.00 0.00 C ATOM 64 O GLY A 7 -2.496 -20.156 20.908 1.00 0.00 O ATOM 0 H GLY A 7 -1.647 -22.912 22.936 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.413 -22.992 20.664 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.988 -21.913 21.919 1.00 0.00 H new ATOM 68 N GLN A 8 -0.886 -21.724 20.785 1.00 0.00 N ATOM 69 CA GLN A 8 0.136 -20.794 20.323 1.00 0.00 C ATOM 70 C GLN A 8 -0.171 -20.304 18.911 1.00 0.00 C ATOM 71 O GLN A 8 0.006 -19.126 18.600 1.00 0.00 O ATOM 72 CB GLN A 8 1.514 -21.460 20.355 1.00 0.00 C ATOM 73 CG GLN A 8 1.594 -22.729 19.522 1.00 0.00 C ATOM 74 CD GLN A 8 2.148 -22.480 18.133 1.00 0.00 C ATOM 75 OE1 GLN A 8 2.780 -21.454 17.878 1.00 0.00 O ATOM 76 NE2 GLN A 8 1.913 -23.421 17.226 1.00 0.00 N ATOM 0 H GLN A 8 -0.564 -22.686 20.890 1.00 0.00 H new ATOM 0 HA GLN A 8 0.139 -19.935 20.994 1.00 0.00 H new ATOM 0 HB2 GLN A 8 2.260 -20.751 19.995 1.00 0.00 H new ATOM 0 HB3 GLN A 8 1.771 -21.696 21.388 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.223 -23.457 20.035 1.00 0.00 H new ATOM 0 HG3 GLN A 8 0.600 -23.168 19.439 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.385 -24.255 17.482 1.00 0.00 H new ATOM 0 HE22 GLN A 8 2.261 -23.310 16.274 1.00 0.00 H new ATOM 85 N ALA A 9 -0.635 -21.215 18.062 1.00 0.00 N ATOM 86 CA ALA A 9 -0.968 -20.875 16.684 1.00 0.00 C ATOM 87 C ALA A 9 -1.989 -21.851 16.109 1.00 0.00 C ATOM 88 O ALA A 9 -2.475 -22.740 16.809 1.00 0.00 O ATOM 89 CB ALA A 9 0.289 -20.857 15.827 1.00 0.00 C ATOM 0 H ALA A 9 -0.789 -22.194 18.304 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.413 -19.880 16.678 1.00 0.00 H new ATOM 0 HB1 ALA A 9 0.026 -20.602 14.800 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.985 -20.115 16.218 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.757 -21.841 15.847 1.00 0.00 H new ATOM 95 N LEU A 10 -2.310 -21.679 14.831 1.00 0.00 N ATOM 96 CA LEU A 10 -3.274 -22.544 14.162 1.00 0.00 C ATOM 97 C LEU A 10 -3.116 -22.462 12.646 1.00 0.00 C ATOM 98 O LEU A 10 -3.076 -23.484 11.961 1.00 0.00 O ATOM 99 CB LEU A 10 -4.701 -22.159 14.564 1.00 0.00 C ATOM 100 CG LEU A 10 -5.548 -23.307 15.117 1.00 0.00 C ATOM 101 CD1 LEU A 10 -5.212 -23.562 16.578 1.00 0.00 C ATOM 102 CD2 LEU A 10 -7.029 -23.000 14.954 1.00 0.00 C ATOM 0 H LEU A 10 -1.916 -20.948 14.238 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.083 -23.571 14.473 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.651 -21.370 15.314 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.207 -21.740 13.694 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.319 -24.210 14.551 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.824 -24.382 16.954 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.158 -23.825 16.668 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.413 -22.662 17.160 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.618 -23.826 15.352 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.273 -22.086 15.496 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.259 -22.867 13.897 1.00 0.00 H new ATOM 114 N ALA A 11 -3.027 -21.241 12.131 1.00 0.00 N ATOM 115 CA ALA A 11 -2.872 -21.025 10.698 1.00 0.00 C ATOM 116 C ALA A 11 -1.472 -20.521 10.366 1.00 0.00 C ATOM 117 O ALA A 11 -1.026 -19.504 10.897 1.00 0.00 O ATOM 118 CB ALA A 11 -3.921 -20.044 10.197 1.00 0.00 C ATOM 0 H ALA A 11 -3.060 -20.385 12.685 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.013 -21.981 10.194 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.794 -19.891 9.125 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.916 -20.445 10.391 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.806 -19.092 10.715 1.00 0.00 H new ATOM 124 N SER A 12 -0.783 -21.240 9.486 1.00 0.00 N ATOM 125 CA SER A 12 0.568 -20.866 9.084 1.00 0.00 C ATOM 126 C SER A 12 0.705 -20.870 7.565 1.00 0.00 C ATOM 127 O SER A 12 1.269 -19.944 6.980 1.00 0.00 O ATOM 128 CB SER A 12 1.590 -21.822 9.701 1.00 0.00 C ATOM 129 OG SER A 12 1.145 -22.300 10.959 1.00 0.00 O ATOM 0 H SER A 12 -1.138 -22.085 9.038 1.00 0.00 H new ATOM 0 HA SER A 12 0.760 -19.856 9.446 1.00 0.00 H new ATOM 0 HB2 SER A 12 1.759 -22.663 9.028 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.546 -21.311 9.820 1.00 0.00 H new ATOM 0 HG SER A 12 1.814 -22.911 11.332 1.00 0.00 H new ATOM 135 N ASP A 13 0.187 -21.917 6.932 1.00 0.00 N ATOM 136 CA ASP A 13 0.251 -22.043 5.479 1.00 0.00 C ATOM 137 C ASP A 13 -0.396 -20.841 4.797 1.00 0.00 C ATOM 138 O ASP A 13 -1.615 -20.676 4.832 1.00 0.00 O ATOM 139 CB ASP A 13 -0.438 -23.332 5.028 1.00 0.00 C ATOM 140 CG ASP A 13 0.162 -23.893 3.754 1.00 0.00 C ATOM 141 OD1 ASP A 13 1.386 -23.743 3.558 1.00 0.00 O ATOM 142 OD2 ASP A 13 -0.593 -24.484 2.952 1.00 0.00 O ATOM 0 H ASP A 13 -0.282 -22.691 7.402 1.00 0.00 H new ATOM 0 HA ASP A 13 1.301 -22.079 5.189 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.363 -24.077 5.820 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.499 -23.138 4.872 1.00 0.00 H new ATOM 147 N SER A 14 0.430 -20.004 4.177 1.00 0.00 N ATOM 148 CA SER A 14 -0.060 -18.818 3.486 1.00 0.00 C ATOM 149 C SER A 14 0.116 -18.955 1.977 1.00 0.00 C ATOM 150 O SER A 14 0.437 -20.033 1.475 1.00 0.00 O ATOM 151 CB SER A 14 0.673 -17.572 3.985 1.00 0.00 C ATOM 152 OG SER A 14 0.792 -17.580 5.397 1.00 0.00 O ATOM 0 H SER A 14 1.442 -20.126 4.139 1.00 0.00 H new ATOM 0 HA SER A 14 -1.124 -18.717 3.702 1.00 0.00 H new ATOM 0 HB2 SER A 14 1.664 -17.525 3.534 1.00 0.00 H new ATOM 0 HB3 SER A 14 0.135 -16.679 3.668 1.00 0.00 H new ATOM 0 HG SER A 14 1.266 -16.774 5.690 1.00 0.00 H new ATOM 158 N GLU A 15 -0.096 -17.857 1.259 1.00 0.00 N ATOM 159 CA GLU A 15 0.041 -17.856 -0.194 1.00 0.00 C ATOM 160 C GLU A 15 1.284 -17.084 -0.623 1.00 0.00 C ATOM 161 O GLU A 15 1.810 -16.265 0.131 1.00 0.00 O ATOM 162 CB GLU A 15 -1.203 -17.245 -0.843 1.00 0.00 C ATOM 163 CG GLU A 15 -1.592 -17.909 -2.153 1.00 0.00 C ATOM 164 CD GLU A 15 -3.092 -18.091 -2.291 1.00 0.00 C ATOM 165 OE1 GLU A 15 -3.768 -18.251 -1.253 1.00 0.00 O ATOM 166 OE2 GLU A 15 -3.589 -18.073 -3.437 1.00 0.00 O ATOM 0 H GLU A 15 -0.363 -16.957 1.658 1.00 0.00 H new ATOM 0 HA GLU A 15 0.146 -18.889 -0.525 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.038 -17.316 -0.147 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.026 -16.184 -1.021 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.225 -17.307 -2.984 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.104 -18.881 -2.223 1.00 0.00 H new ATOM 173 N GLU A 16 1.749 -17.351 -1.838 1.00 0.00 N ATOM 174 CA GLU A 16 2.932 -16.681 -2.369 1.00 0.00 C ATOM 175 C GLU A 16 2.619 -15.991 -3.692 1.00 0.00 C ATOM 176 O GLU A 16 3.482 -15.876 -4.563 1.00 0.00 O ATOM 177 CB GLU A 16 4.070 -17.686 -2.560 1.00 0.00 C ATOM 178 CG GLU A 16 5.433 -17.035 -2.726 1.00 0.00 C ATOM 179 CD GLU A 16 6.410 -17.913 -3.484 1.00 0.00 C ATOM 180 OE1 GLU A 16 6.428 -19.136 -3.234 1.00 0.00 O ATOM 181 OE2 GLU A 16 7.156 -17.377 -4.331 1.00 0.00 O ATOM 0 H GLU A 16 1.326 -18.026 -2.474 1.00 0.00 H new ATOM 0 HA GLU A 16 3.243 -15.923 -1.650 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.099 -18.357 -1.702 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.860 -18.299 -3.437 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.317 -16.088 -3.253 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.844 -16.805 -1.743 1.00 0.00 H new ATOM 188 N ALA A 17 1.379 -15.534 -3.838 1.00 0.00 N ATOM 189 CA ALA A 17 0.952 -14.855 -5.056 1.00 0.00 C ATOM 190 C ALA A 17 1.320 -13.375 -5.024 1.00 0.00 C ATOM 191 O ALA A 17 1.394 -12.723 -6.066 1.00 0.00 O ATOM 192 CB ALA A 17 -0.545 -15.026 -5.256 1.00 0.00 C ATOM 0 H ALA A 17 0.652 -15.622 -3.128 1.00 0.00 H new ATOM 0 HA ALA A 17 1.475 -15.310 -5.897 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.851 -14.514 -6.169 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.782 -16.087 -5.338 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.077 -14.600 -4.405 1.00 0.00 H new ATOM 198 N ASP A 18 1.549 -12.850 -3.826 1.00 0.00 N ATOM 199 CA ASP A 18 1.908 -11.447 -3.661 1.00 0.00 C ATOM 200 C ASP A 18 2.975 -11.282 -2.583 1.00 0.00 C ATOM 201 O ASP A 18 2.687 -11.383 -1.391 1.00 0.00 O ATOM 202 CB ASP A 18 0.671 -10.621 -3.302 1.00 0.00 C ATOM 203 CG ASP A 18 -0.054 -10.104 -4.529 1.00 0.00 C ATOM 204 OD1 ASP A 18 0.592 -9.437 -5.364 1.00 0.00 O ATOM 205 OD2 ASP A 18 -1.269 -10.364 -4.654 1.00 0.00 O ATOM 0 H ASP A 18 1.492 -13.376 -2.954 1.00 0.00 H new ATOM 0 HA ASP A 18 2.314 -11.088 -4.607 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -0.011 -11.232 -2.710 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.968 -9.779 -2.677 1.00 0.00 H new ATOM 210 N GLU A 19 4.207 -11.028 -3.011 1.00 0.00 N ATOM 211 CA GLU A 19 5.317 -10.848 -2.083 1.00 0.00 C ATOM 212 C GLU A 19 5.055 -9.678 -1.140 1.00 0.00 C ATOM 213 O GLU A 19 4.771 -8.564 -1.582 1.00 0.00 O ATOM 214 CB GLU A 19 6.620 -10.618 -2.850 1.00 0.00 C ATOM 215 CG GLU A 19 6.926 -11.706 -3.867 1.00 0.00 C ATOM 216 CD GLU A 19 6.531 -11.314 -5.277 1.00 0.00 C ATOM 217 OE1 GLU A 19 6.613 -10.111 -5.604 1.00 0.00 O ATOM 218 OE2 GLU A 19 6.139 -12.210 -6.055 1.00 0.00 O ATOM 0 H GLU A 19 4.462 -10.942 -3.995 1.00 0.00 H new ATOM 0 HA GLU A 19 5.410 -11.757 -1.488 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.566 -9.658 -3.363 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.444 -10.554 -2.139 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.992 -11.932 -3.842 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.400 -12.619 -3.587 1.00 0.00 H new ATOM 225 N VAL A 20 5.152 -9.939 0.159 1.00 0.00 N ATOM 226 CA VAL A 20 4.925 -8.908 1.165 1.00 0.00 C ATOM 227 C VAL A 20 6.224 -8.543 1.881 1.00 0.00 C ATOM 228 O VAL A 20 6.608 -9.195 2.851 1.00 0.00 O ATOM 229 CB VAL A 20 3.888 -9.362 2.209 1.00 0.00 C ATOM 230 CG1 VAL A 20 3.518 -8.209 3.131 1.00 0.00 C ATOM 231 CG2 VAL A 20 2.652 -9.925 1.524 1.00 0.00 C ATOM 0 H VAL A 20 5.386 -10.856 0.540 1.00 0.00 H new ATOM 0 HA VAL A 20 4.543 -8.032 0.641 1.00 0.00 H new ATOM 0 HB VAL A 20 4.331 -10.153 2.815 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.784 -8.549 3.862 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.410 -7.857 3.649 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.094 -7.395 2.543 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.930 -10.241 2.277 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.205 -9.158 0.892 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.934 -10.781 0.911 1.00 0.00 H new ATOM 241 N PRO A 21 6.918 -7.491 1.411 1.00 0.00 N ATOM 242 CA PRO A 21 8.179 -7.046 2.016 1.00 0.00 C ATOM 243 C PRO A 21 8.066 -6.863 3.526 1.00 0.00 C ATOM 244 O PRO A 21 7.005 -7.085 4.110 1.00 0.00 O ATOM 245 CB PRO A 21 8.445 -5.704 1.333 1.00 0.00 C ATOM 246 CG PRO A 21 7.751 -5.805 0.019 1.00 0.00 C ATOM 247 CD PRO A 21 6.533 -6.655 0.259 1.00 0.00 C ATOM 0 HA PRO A 21 8.977 -7.776 1.878 1.00 0.00 H new ATOM 0 HB2 PRO A 21 8.056 -4.875 1.924 1.00 0.00 H new ATOM 0 HB3 PRO A 21 9.513 -5.530 1.204 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.472 -4.819 -0.352 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.400 -6.256 -0.732 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.656 -6.046 0.480 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.289 -7.261 -0.613 1.00 0.00 H new ATOM 255 N GLU A 22 9.166 -6.458 4.152 1.00 0.00 N ATOM 256 CA GLU A 22 9.189 -6.246 5.595 1.00 0.00 C ATOM 257 C GLU A 22 8.889 -4.791 5.936 1.00 0.00 C ATOM 258 O GLU A 22 8.289 -4.497 6.971 1.00 0.00 O ATOM 259 CB GLU A 22 10.550 -6.647 6.167 1.00 0.00 C ATOM 260 CG GLU A 22 10.742 -8.150 6.285 1.00 0.00 C ATOM 261 CD GLU A 22 10.462 -8.667 7.682 1.00 0.00 C ATOM 262 OE1 GLU A 22 9.299 -8.573 8.128 1.00 0.00 O ATOM 263 OE2 GLU A 22 11.406 -9.165 8.331 1.00 0.00 O ATOM 0 H GLU A 22 10.052 -6.270 3.684 1.00 0.00 H new ATOM 0 HA GLU A 22 8.416 -6.871 6.042 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.336 -6.238 5.533 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.668 -6.196 7.152 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.083 -8.653 5.577 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.764 -8.405 6.006 1.00 0.00 H new ATOM 270 N TRP A 23 9.310 -3.883 5.062 1.00 0.00 N ATOM 271 CA TRP A 23 9.085 -2.458 5.274 1.00 0.00 C ATOM 272 C TRP A 23 7.597 -2.128 5.223 1.00 0.00 C ATOM 273 O TRP A 23 7.131 -1.209 5.899 1.00 0.00 O ATOM 274 CB TRP A 23 9.836 -1.639 4.221 1.00 0.00 C ATOM 275 CG TRP A 23 9.553 -2.075 2.816 1.00 0.00 C ATOM 276 CD1 TRP A 23 10.330 -2.883 2.036 1.00 0.00 C ATOM 277 CD2 TRP A 23 8.413 -1.726 2.022 1.00 0.00 C ATOM 278 NE1 TRP A 23 9.743 -3.057 0.806 1.00 0.00 N ATOM 279 CE2 TRP A 23 8.565 -2.357 0.773 1.00 0.00 C ATOM 280 CE3 TRP A 23 7.277 -0.943 2.247 1.00 0.00 C ATOM 281 CZ2 TRP A 23 7.625 -2.229 -0.246 1.00 0.00 C ATOM 282 CZ3 TRP A 23 6.344 -0.815 1.234 1.00 0.00 C ATOM 283 CH2 TRP A 23 6.524 -1.455 0.002 1.00 0.00 C ATOM 0 H TRP A 23 9.808 -4.108 4.201 1.00 0.00 H new ATOM 0 HA TRP A 23 9.463 -2.200 6.263 1.00 0.00 H new ATOM 0 HB2 TRP A 23 9.567 -0.588 4.329 1.00 0.00 H new ATOM 0 HB3 TRP A 23 10.907 -1.715 4.408 1.00 0.00 H new ATOM 0 HD1 TRP A 23 11.269 -3.321 2.341 1.00 0.00 H new ATOM 0 HE1 TRP A 23 10.122 -3.616 0.042 1.00 0.00 H new ATOM 0 HE3 TRP A 23 7.130 -0.447 3.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 7.760 -2.722 -1.197 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 5.463 -0.212 1.396 1.00 0.00 H new ATOM 0 HH2 TRP A 23 5.778 -1.335 -0.769 1.00 0.00 H new ATOM 294 N LEU A 24 6.856 -2.883 4.419 1.00 0.00 N ATOM 295 CA LEU A 24 5.420 -2.670 4.282 1.00 0.00 C ATOM 296 C LEU A 24 4.701 -2.930 5.602 1.00 0.00 C ATOM 297 O LEU A 24 4.681 -4.055 6.098 1.00 0.00 O ATOM 298 CB LEU A 24 4.851 -3.580 3.191 1.00 0.00 C ATOM 299 CG LEU A 24 3.384 -3.331 2.839 1.00 0.00 C ATOM 300 CD1 LEU A 24 3.213 -1.960 2.203 1.00 0.00 C ATOM 301 CD2 LEU A 24 2.868 -4.419 1.909 1.00 0.00 C ATOM 0 H LEU A 24 7.226 -3.647 3.853 1.00 0.00 H new ATOM 0 HA LEU A 24 5.258 -1.629 4.001 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.451 -3.459 2.289 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.961 -4.616 3.510 1.00 0.00 H new ATOM 0 HG LEU A 24 2.800 -3.358 3.759 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.163 -1.800 1.959 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.544 -1.191 2.901 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.809 -1.904 1.292 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.822 -4.226 1.669 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.457 -4.423 0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.955 -5.388 2.400 1.00 0.00 H new ATOM 313 N ARG A 25 4.113 -1.879 6.166 1.00 0.00 N ATOM 314 CA ARG A 25 3.393 -1.994 7.429 1.00 0.00 C ATOM 315 C ARG A 25 2.544 -0.753 7.686 1.00 0.00 C ATOM 316 O ARG A 25 2.816 0.320 7.146 1.00 0.00 O ATOM 317 CB ARG A 25 4.375 -2.201 8.584 1.00 0.00 C ATOM 318 CG ARG A 25 5.481 -1.160 8.636 1.00 0.00 C ATOM 319 CD ARG A 25 5.795 -0.747 10.065 1.00 0.00 C ATOM 320 NE ARG A 25 7.006 -1.392 10.569 1.00 0.00 N ATOM 321 CZ ARG A 25 7.034 -2.615 11.096 1.00 0.00 C ATOM 322 NH1 ARG A 25 5.922 -3.333 11.190 1.00 0.00 N ATOM 323 NH2 ARG A 25 8.180 -3.122 11.532 1.00 0.00 N ATOM 0 H ARG A 25 4.121 -0.940 5.769 1.00 0.00 H new ATOM 0 HA ARG A 25 2.732 -2.858 7.364 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.825 -2.182 9.525 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.823 -3.191 8.496 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.380 -1.560 8.166 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.184 -0.283 8.060 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.915 0.335 10.111 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.954 -1.002 10.709 1.00 0.00 H new ATOM 0 HE ARG A 25 7.883 -0.874 10.514 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.037 -2.949 10.857 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.952 -4.269 11.595 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.038 -2.575 11.463 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.203 -4.058 11.936 1.00 0.00 H new ATOM 337 N GLU A 26 1.516 -0.907 8.514 1.00 0.00 N ATOM 338 CA GLU A 26 0.626 0.200 8.843 1.00 0.00 C ATOM 339 C GLU A 26 1.407 1.369 9.438 1.00 0.00 C ATOM 340 O GLU A 26 2.413 1.173 10.120 1.00 0.00 O ATOM 341 CB GLU A 26 -0.452 -0.260 9.826 1.00 0.00 C ATOM 342 CG GLU A 26 -1.708 -0.785 9.149 1.00 0.00 C ATOM 343 CD GLU A 26 -2.696 -1.379 10.134 1.00 0.00 C ATOM 344 OE1 GLU A 26 -2.603 -1.054 11.337 1.00 0.00 O ATOM 345 OE2 GLU A 26 -3.563 -2.167 9.702 1.00 0.00 O ATOM 0 H GLU A 26 1.279 -1.788 8.970 1.00 0.00 H new ATOM 0 HA GLU A 26 0.150 0.536 7.922 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.040 -1.041 10.465 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.720 0.574 10.475 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.188 0.027 8.603 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.432 -1.543 8.416 1.00 0.00 H new ATOM 352 N GLY A 27 0.937 2.583 9.174 1.00 0.00 N ATOM 353 CA GLY A 27 1.602 3.765 9.690 1.00 0.00 C ATOM 354 C GLY A 27 2.903 4.066 8.968 1.00 0.00 C ATOM 355 O GLY A 27 3.729 4.834 9.462 1.00 0.00 O ATOM 0 H GLY A 27 0.107 2.770 8.612 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.934 4.622 9.599 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.804 3.629 10.753 1.00 0.00 H new ATOM 359 N GLU A 28 3.087 3.462 7.797 1.00 0.00 N ATOM 360 CA GLU A 28 4.296 3.674 7.010 1.00 0.00 C ATOM 361 C GLU A 28 3.984 4.446 5.733 1.00 0.00 C ATOM 362 O GLU A 28 2.909 4.297 5.153 1.00 0.00 O ATOM 363 CB GLU A 28 4.943 2.332 6.662 1.00 0.00 C ATOM 364 CG GLU A 28 6.360 2.460 6.126 1.00 0.00 C ATOM 365 CD GLU A 28 7.277 3.202 7.079 1.00 0.00 C ATOM 366 OE1 GLU A 28 7.181 4.445 7.148 1.00 0.00 O ATOM 367 OE2 GLU A 28 8.093 2.539 7.754 1.00 0.00 O ATOM 0 H GLU A 28 2.414 2.823 7.373 1.00 0.00 H new ATOM 0 HA GLU A 28 4.992 4.262 7.608 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.956 1.703 7.552 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.328 1.823 5.920 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.765 1.466 5.938 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.337 2.981 5.169 1.00 0.00 H new ATOM 374 N PHE A 29 4.930 5.273 5.300 1.00 0.00 N ATOM 375 CA PHE A 29 4.752 6.070 4.092 1.00 0.00 C ATOM 376 C PHE A 29 5.172 5.283 2.854 1.00 0.00 C ATOM 377 O PHE A 29 6.243 4.675 2.826 1.00 0.00 O ATOM 378 CB PHE A 29 5.557 7.368 4.188 1.00 0.00 C ATOM 379 CG PHE A 29 4.702 8.603 4.189 1.00 0.00 C ATOM 380 CD1 PHE A 29 3.987 8.967 5.318 1.00 0.00 C ATOM 381 CD2 PHE A 29 4.612 9.399 3.058 1.00 0.00 C ATOM 382 CE1 PHE A 29 3.199 10.102 5.320 1.00 0.00 C ATOM 383 CE2 PHE A 29 3.826 10.535 3.054 1.00 0.00 C ATOM 384 CZ PHE A 29 3.117 10.887 4.187 1.00 0.00 C ATOM 0 H PHE A 29 5.827 5.409 5.767 1.00 0.00 H new ATOM 0 HA PHE A 29 3.694 6.315 4.000 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.155 7.349 5.099 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.253 7.418 3.350 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.046 8.357 6.207 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.163 9.128 2.169 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.647 10.375 6.207 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.766 11.147 2.166 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.500 11.774 4.186 1.00 0.00 H new ATOM 394 N VAL A 30 4.322 5.299 1.834 1.00 0.00 N ATOM 395 CA VAL A 30 4.603 4.587 0.592 1.00 0.00 C ATOM 396 C VAL A 30 4.217 5.428 -0.621 1.00 0.00 C ATOM 397 O VAL A 30 3.717 6.544 -0.482 1.00 0.00 O ATOM 398 CB VAL A 30 3.852 3.245 0.531 1.00 0.00 C ATOM 399 CG1 VAL A 30 4.422 2.265 1.545 1.00 0.00 C ATOM 400 CG2 VAL A 30 2.362 3.454 0.763 1.00 0.00 C ATOM 0 H VAL A 30 3.432 5.797 1.842 1.00 0.00 H new ATOM 0 HA VAL A 30 5.676 4.395 0.573 1.00 0.00 H new ATOM 0 HB VAL A 30 3.987 2.822 -0.464 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.878 1.323 1.486 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.476 2.089 1.329 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.322 2.680 2.548 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.848 2.494 0.716 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.206 3.901 1.745 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.964 4.117 -0.005 1.00 0.00 H new ATOM 410 N THR A 31 4.452 4.884 -1.811 1.00 0.00 N ATOM 411 CA THR A 31 4.129 5.585 -3.049 1.00 0.00 C ATOM 412 C THR A 31 3.487 4.638 -4.057 1.00 0.00 C ATOM 413 O THR A 31 3.705 3.428 -4.013 1.00 0.00 O ATOM 414 CB THR A 31 5.387 6.212 -3.650 1.00 0.00 C ATOM 415 OG1 THR A 31 5.082 6.894 -4.853 1.00 0.00 O ATOM 416 CG2 THR A 31 6.470 5.200 -3.958 1.00 0.00 C ATOM 0 H THR A 31 4.865 3.961 -1.944 1.00 0.00 H new ATOM 0 HA THR A 31 3.416 6.376 -2.814 1.00 0.00 H new ATOM 0 HB THR A 31 5.759 6.899 -2.890 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.318 7.841 -4.761 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.335 5.710 -4.382 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.763 4.690 -3.040 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.093 4.470 -4.674 1.00 0.00 H new ATOM 424 N VAL A 32 2.697 5.199 -4.967 1.00 0.00 N ATOM 425 CA VAL A 32 2.025 4.405 -5.988 1.00 0.00 C ATOM 426 C VAL A 32 2.190 5.033 -7.368 1.00 0.00 C ATOM 427 O VAL A 32 1.535 6.023 -7.692 1.00 0.00 O ATOM 428 CB VAL A 32 0.523 4.251 -5.684 1.00 0.00 C ATOM 429 CG1 VAL A 32 -0.114 3.244 -6.629 1.00 0.00 C ATOM 430 CG2 VAL A 32 0.311 3.840 -4.235 1.00 0.00 C ATOM 0 H VAL A 32 2.507 6.200 -5.018 1.00 0.00 H new ATOM 0 HA VAL A 32 2.492 3.420 -5.980 1.00 0.00 H new ATOM 0 HB VAL A 32 0.040 5.216 -5.839 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.175 3.149 -6.398 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.005 3.585 -7.658 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.371 2.275 -6.509 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.756 3.736 -4.039 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.808 2.888 -4.050 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.729 4.601 -3.576 1.00 0.00 H new ATOM 440 N GLY A 33 3.068 4.450 -8.175 1.00 0.00 N ATOM 441 CA GLY A 33 3.305 4.964 -9.511 1.00 0.00 C ATOM 442 C GLY A 33 2.127 4.737 -10.437 1.00 0.00 C ATOM 443 O GLY A 33 2.217 3.958 -11.387 1.00 0.00 O ATOM 0 H GLY A 33 3.621 3.629 -7.928 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.518 6.032 -9.454 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.190 4.485 -9.930 1.00 0.00 H new ATOM 447 N ALA A 34 1.019 5.417 -10.161 1.00 0.00 N ATOM 448 CA ALA A 34 -0.182 5.284 -10.977 1.00 0.00 C ATOM 449 C ALA A 34 -1.271 6.242 -10.510 1.00 0.00 C ATOM 450 O ALA A 34 -1.975 6.842 -11.322 1.00 0.00 O ATOM 451 CB ALA A 34 -0.687 3.850 -10.941 1.00 0.00 C ATOM 0 H ALA A 34 0.928 6.065 -9.379 1.00 0.00 H new ATOM 0 HA ALA A 34 0.076 5.541 -12.004 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.584 3.765 -11.554 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.083 3.183 -11.329 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.922 3.573 -9.913 1.00 0.00 H new ATOM 457 N HIS A 35 -1.407 6.382 -9.194 1.00 0.00 N ATOM 458 CA HIS A 35 -2.412 7.268 -8.619 1.00 0.00 C ATOM 459 C HIS A 35 -1.757 8.373 -7.797 1.00 0.00 C ATOM 460 O HIS A 35 -1.784 9.542 -8.179 1.00 0.00 O ATOM 461 CB HIS A 35 -3.380 6.472 -7.742 1.00 0.00 C ATOM 462 CG HIS A 35 -4.274 5.554 -8.516 1.00 0.00 C ATOM 463 ND1 HIS A 35 -5.091 4.560 -8.085 1.00 0.00 N flip ATOM 464 CD2 HIS A 35 -4.405 5.585 -9.887 1.00 0.00 C flip ATOM 465 CE1 HIS A 35 -5.724 3.980 -9.181 1.00 0.00 C flip ATOM 466 NE2 HIS A 35 -5.278 4.632 -10.238 1.00 0.00 N flip ATOM 0 H HIS A 35 -0.833 5.893 -8.507 1.00 0.00 H new ATOM 0 HA HIS A 35 -2.966 7.728 -9.437 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -2.808 5.887 -7.022 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -3.995 7.167 -7.170 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.894 6.258 -10.559 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -6.433 3.165 -9.169 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -5.561 4.436 -11.198 1.00 0.00 H new ATOM 474 N LYS A 36 -1.172 7.993 -6.666 1.00 0.00 N ATOM 475 CA LYS A 36 -0.510 8.952 -5.788 1.00 0.00 C ATOM 476 C LYS A 36 0.122 8.246 -4.592 1.00 0.00 C ATOM 477 O LYS A 36 0.155 7.017 -4.531 1.00 0.00 O ATOM 478 CB LYS A 36 -1.509 10.007 -5.306 1.00 0.00 C ATOM 479 CG LYS A 36 -1.351 11.354 -5.995 1.00 0.00 C ATOM 480 CD LYS A 36 -1.768 12.501 -5.085 1.00 0.00 C ATOM 481 CE LYS A 36 -0.634 13.492 -4.878 1.00 0.00 C ATOM 482 NZ LYS A 36 -0.394 14.321 -6.091 1.00 0.00 N ATOM 0 H LYS A 36 -1.143 7.028 -6.336 1.00 0.00 H new ATOM 0 HA LYS A 36 0.280 9.444 -6.355 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.522 9.640 -5.473 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.392 10.142 -4.231 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.313 11.489 -6.299 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.953 11.372 -6.903 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.627 13.015 -5.517 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.086 12.104 -4.121 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.869 14.142 -4.035 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.277 12.952 -4.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.387 14.984 -5.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.145 13.703 -6.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.256 14.856 -6.322 1.00 0.00 H new ATOM 496 N THR A 37 0.622 9.031 -3.645 1.00 0.00 N ATOM 497 CA THR A 37 1.251 8.481 -2.450 1.00 0.00 C ATOM 498 C THR A 37 0.270 8.449 -1.284 1.00 0.00 C ATOM 499 O THR A 37 -0.745 9.145 -1.295 1.00 0.00 O ATOM 500 CB THR A 37 2.483 9.303 -2.072 1.00 0.00 C ATOM 501 OG1 THR A 37 2.138 10.664 -1.877 1.00 0.00 O ATOM 502 CG2 THR A 37 3.580 9.253 -3.114 1.00 0.00 C ATOM 0 H THR A 37 0.604 10.050 -3.681 1.00 0.00 H new ATOM 0 HA THR A 37 1.559 7.459 -2.670 1.00 0.00 H new ATOM 0 HB THR A 37 2.857 8.854 -1.152 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.939 11.173 -1.634 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.424 9.857 -2.783 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.904 8.221 -3.252 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.202 9.644 -4.059 1.00 0.00 H new ATOM 510 N GLY A 38 0.579 7.636 -0.279 1.00 0.00 N ATOM 511 CA GLY A 38 -0.287 7.529 0.881 1.00 0.00 C ATOM 512 C GLY A 38 0.303 6.652 1.966 1.00 0.00 C ATOM 513 O GLY A 38 1.262 5.917 1.727 1.00 0.00 O ATOM 0 H GLY A 38 1.413 7.050 -0.247 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.474 8.524 1.284 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.251 7.123 0.575 1.00 0.00 H new ATOM 517 N VAL A 39 -0.270 6.728 3.163 1.00 0.00 N ATOM 518 CA VAL A 39 0.205 5.934 4.290 1.00 0.00 C ATOM 519 C VAL A 39 -0.508 4.589 4.353 1.00 0.00 C ATOM 520 O VAL A 39 -1.716 4.505 4.136 1.00 0.00 O ATOM 521 CB VAL A 39 0.001 6.675 5.624 1.00 0.00 C ATOM 522 CG1 VAL A 39 0.673 5.923 6.763 1.00 0.00 C ATOM 523 CG2 VAL A 39 0.528 8.098 5.531 1.00 0.00 C ATOM 0 H VAL A 39 -1.064 7.331 3.377 1.00 0.00 H new ATOM 0 HA VAL A 39 1.271 5.769 4.135 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.068 6.721 5.832 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.517 6.463 7.697 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.242 4.925 6.844 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.742 5.842 6.565 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.375 8.606 6.483 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.593 8.077 5.298 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.005 8.633 4.745 1.00 0.00 H new ATOM 533 N VAL A 40 0.248 3.537 4.653 1.00 0.00 N ATOM 534 CA VAL A 40 -0.313 2.194 4.746 1.00 0.00 C ATOM 535 C VAL A 40 -1.306 2.094 5.899 1.00 0.00 C ATOM 536 O VAL A 40 -0.942 2.275 7.061 1.00 0.00 O ATOM 537 CB VAL A 40 0.790 1.136 4.940 1.00 0.00 C ATOM 538 CG1 VAL A 40 0.215 -0.265 4.807 1.00 0.00 C ATOM 539 CG2 VAL A 40 1.920 1.353 3.944 1.00 0.00 C ATOM 0 H VAL A 40 1.250 3.589 4.836 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.829 2.000 3.806 1.00 0.00 H new ATOM 0 HB VAL A 40 1.197 1.243 5.945 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.009 -0.999 4.947 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.556 -0.415 5.563 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.221 -0.387 3.815 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.690 0.596 4.096 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.530 1.275 2.929 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.351 2.343 4.092 1.00 0.00 H new ATOM 549 N ARG A 41 -2.560 1.807 5.570 1.00 0.00 N ATOM 550 CA ARG A 41 -3.606 1.685 6.578 1.00 0.00 C ATOM 551 C ARG A 41 -4.018 0.227 6.760 1.00 0.00 C ATOM 552 O ARG A 41 -4.430 -0.180 7.846 1.00 0.00 O ATOM 553 CB ARG A 41 -4.823 2.525 6.187 1.00 0.00 C ATOM 554 CG ARG A 41 -4.642 4.012 6.444 1.00 0.00 C ATOM 555 CD ARG A 41 -4.642 4.325 7.932 1.00 0.00 C ATOM 556 NE ARG A 41 -3.836 5.503 8.242 1.00 0.00 N ATOM 557 CZ ARG A 41 -3.931 6.185 9.382 1.00 0.00 C ATOM 558 NH1 ARG A 41 -4.794 5.812 10.318 1.00 0.00 N ATOM 559 NH2 ARG A 41 -3.160 7.245 9.584 1.00 0.00 N ATOM 0 H ARG A 41 -2.877 1.654 4.613 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.208 2.053 7.524 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.036 2.371 5.129 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.692 2.172 6.742 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.704 4.347 6.001 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.442 4.567 5.955 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.666 4.487 8.269 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.257 3.467 8.483 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.162 5.821 7.546 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.390 4.998 10.167 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.861 6.339 11.189 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.496 7.537 8.867 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.231 7.769 10.456 1.00 0.00 H new ATOM 573 N TYR A 42 -3.904 -0.554 5.691 1.00 0.00 N ATOM 574 CA TYR A 42 -4.265 -1.966 5.734 1.00 0.00 C ATOM 575 C TYR A 42 -3.152 -2.830 5.150 1.00 0.00 C ATOM 576 O TYR A 42 -2.499 -2.448 4.179 1.00 0.00 O ATOM 577 CB TYR A 42 -5.566 -2.204 4.966 1.00 0.00 C ATOM 578 CG TYR A 42 -6.323 -3.432 5.420 1.00 0.00 C ATOM 579 CD1 TYR A 42 -7.216 -3.367 6.483 1.00 0.00 C ATOM 580 CD2 TYR A 42 -6.143 -4.655 4.787 1.00 0.00 C ATOM 581 CE1 TYR A 42 -7.908 -4.487 6.901 1.00 0.00 C ATOM 582 CE2 TYR A 42 -6.833 -5.780 5.200 1.00 0.00 C ATOM 583 CZ TYR A 42 -7.714 -5.690 6.256 1.00 0.00 C ATOM 584 OH TYR A 42 -8.402 -6.808 6.670 1.00 0.00 O ATOM 0 H TYR A 42 -3.564 -0.233 4.784 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.409 -2.247 6.777 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -6.208 -1.330 5.077 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -5.339 -2.300 3.904 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -7.371 -2.426 6.990 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -5.453 -4.729 3.959 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -8.598 -4.421 7.729 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -6.682 -6.724 4.698 1.00 0.00 H new ATOM 0 HH TYR A 42 -8.152 -7.572 6.110 1.00 0.00 H new ATOM 594 N VAL A 43 -2.943 -3.998 5.748 1.00 0.00 N ATOM 595 CA VAL A 43 -1.910 -4.919 5.288 1.00 0.00 C ATOM 596 C VAL A 43 -2.275 -6.362 5.616 1.00 0.00 C ATOM 597 O VAL A 43 -2.097 -6.816 6.748 1.00 0.00 O ATOM 598 CB VAL A 43 -0.542 -4.592 5.917 1.00 0.00 C ATOM 599 CG1 VAL A 43 0.555 -5.429 5.279 1.00 0.00 C ATOM 600 CG2 VAL A 43 -0.236 -3.107 5.785 1.00 0.00 C ATOM 0 H VAL A 43 -3.475 -4.329 6.552 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.841 -4.800 4.207 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.582 -4.839 6.978 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.513 -5.183 5.737 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.341 -6.487 5.431 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.599 -5.218 4.211 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.734 -2.894 6.235 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.215 -2.832 4.730 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.007 -2.530 6.295 1.00 0.00 H new ATOM 610 N GLY A 44 -2.786 -7.079 4.621 1.00 0.00 N ATOM 611 CA GLY A 44 -3.168 -8.463 4.825 1.00 0.00 C ATOM 612 C GLY A 44 -4.062 -8.988 3.717 1.00 0.00 C ATOM 613 O GLY A 44 -4.248 -8.321 2.699 1.00 0.00 O ATOM 0 H GLY A 44 -2.942 -6.726 3.677 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -2.271 -9.079 4.886 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -3.685 -8.557 5.780 1.00 0.00 H new ATOM 617 N PRO A 45 -4.634 -10.192 3.885 1.00 0.00 N ATOM 618 CA PRO A 45 -5.514 -10.796 2.880 1.00 0.00 C ATOM 619 C PRO A 45 -6.856 -10.077 2.779 1.00 0.00 C ATOM 620 O PRO A 45 -7.186 -9.239 3.616 1.00 0.00 O ATOM 621 CB PRO A 45 -5.710 -12.225 3.391 1.00 0.00 C ATOM 622 CG PRO A 45 -5.501 -12.132 4.863 1.00 0.00 C ATOM 623 CD PRO A 45 -4.467 -11.059 5.068 1.00 0.00 C ATOM 0 HA PRO A 45 -5.086 -10.743 1.879 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.707 -12.597 3.155 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.998 -12.911 2.932 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -6.430 -11.881 5.374 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.161 -13.084 5.270 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.635 -10.511 5.995 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -3.461 -11.475 5.122 1.00 0.00 H new ATOM 631 N ALA A 46 -7.623 -10.412 1.747 1.00 0.00 N ATOM 632 CA ALA A 46 -8.929 -9.800 1.535 1.00 0.00 C ATOM 633 C ALA A 46 -10.038 -10.847 1.577 1.00 0.00 C ATOM 634 O ALA A 46 -9.815 -11.986 1.987 1.00 0.00 O ATOM 635 CB ALA A 46 -8.951 -9.053 0.209 1.00 0.00 C ATOM 0 H ALA A 46 -7.363 -11.104 1.044 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.108 -9.089 2.342 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.932 -8.601 0.063 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.189 -8.273 0.218 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.748 -9.750 -0.604 1.00 0.00 H new ATOM 641 N ASP A 47 -11.235 -10.453 1.150 1.00 0.00 N ATOM 642 CA ASP A 47 -12.379 -11.358 1.139 1.00 0.00 C ATOM 643 C ASP A 47 -12.929 -11.524 -0.274 1.00 0.00 C ATOM 644 O ASP A 47 -14.126 -11.739 -0.465 1.00 0.00 O ATOM 645 CB ASP A 47 -13.476 -10.835 2.070 1.00 0.00 C ATOM 646 CG ASP A 47 -13.427 -11.481 3.440 1.00 0.00 C ATOM 647 OD1 ASP A 47 -14.023 -12.566 3.606 1.00 0.00 O ATOM 648 OD2 ASP A 47 -12.793 -10.903 4.347 1.00 0.00 O ATOM 0 H ASP A 47 -11.437 -9.514 0.807 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.044 -12.333 1.494 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -13.374 -9.755 2.177 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -14.451 -11.020 1.619 1.00 0.00 H new ATOM 653 N PHE A 48 -12.046 -11.422 -1.264 1.00 0.00 N ATOM 654 CA PHE A 48 -12.444 -11.561 -2.660 1.00 0.00 C ATOM 655 C PHE A 48 -11.223 -11.712 -3.560 1.00 0.00 C ATOM 656 O PHE A 48 -11.223 -11.258 -4.704 1.00 0.00 O ATOM 657 CB PHE A 48 -13.268 -10.350 -3.103 1.00 0.00 C ATOM 658 CG PHE A 48 -12.695 -9.034 -2.657 1.00 0.00 C ATOM 659 CD1 PHE A 48 -11.432 -8.636 -3.069 1.00 0.00 C ATOM 660 CD2 PHE A 48 -13.421 -8.195 -1.826 1.00 0.00 C ATOM 661 CE1 PHE A 48 -10.905 -7.425 -2.660 1.00 0.00 C ATOM 662 CE2 PHE A 48 -12.899 -6.984 -1.415 1.00 0.00 C ATOM 663 CZ PHE A 48 -11.639 -6.599 -1.831 1.00 0.00 C ATOM 0 H PHE A 48 -11.051 -11.244 -1.125 1.00 0.00 H new ATOM 0 HA PHE A 48 -13.055 -12.459 -2.748 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -13.346 -10.353 -4.190 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -14.280 -10.447 -2.711 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -10.854 -9.279 -3.716 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -14.406 -8.491 -1.496 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -9.921 -7.125 -2.988 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -13.475 -6.339 -0.769 1.00 0.00 H new ATOM 0 HZ PHE A 48 -11.228 -5.654 -1.508 1.00 0.00 H new ATOM 673 N GLN A 49 -10.182 -12.350 -3.035 1.00 0.00 N ATOM 674 CA GLN A 49 -8.954 -12.554 -3.793 1.00 0.00 C ATOM 675 C GLN A 49 -8.086 -13.630 -3.147 1.00 0.00 C ATOM 676 O GLN A 49 -8.462 -14.219 -2.134 1.00 0.00 O ATOM 677 CB GLN A 49 -8.171 -11.243 -3.895 1.00 0.00 C ATOM 678 CG GLN A 49 -8.139 -10.451 -2.597 1.00 0.00 C ATOM 679 CD GLN A 49 -7.516 -11.231 -1.454 1.00 0.00 C ATOM 680 OE1 GLN A 49 -8.193 -11.593 -0.492 1.00 0.00 O ATOM 681 NE2 GLN A 49 -6.219 -11.495 -1.555 1.00 0.00 N ATOM 0 H GLN A 49 -10.165 -12.734 -2.090 1.00 0.00 H new ATOM 0 HA GLN A 49 -9.226 -12.887 -4.795 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.149 -11.463 -4.202 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.613 -10.625 -4.677 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -7.578 -9.529 -2.752 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.155 -10.164 -2.325 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.696 -11.176 -2.370 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.746 -12.017 -0.817 1.00 0.00 H new ATOM 690 N GLU A 50 -6.923 -13.882 -3.741 1.00 0.00 N ATOM 691 CA GLU A 50 -6.003 -14.887 -3.223 1.00 0.00 C ATOM 692 C GLU A 50 -4.586 -14.330 -3.128 1.00 0.00 C ATOM 693 O GLU A 50 -3.823 -14.380 -4.094 1.00 0.00 O ATOM 694 CB GLU A 50 -6.017 -16.129 -4.116 1.00 0.00 C ATOM 695 CG GLU A 50 -7.414 -16.594 -4.492 1.00 0.00 C ATOM 696 CD GLU A 50 -7.523 -18.104 -4.581 1.00 0.00 C ATOM 697 OE1 GLU A 50 -6.811 -18.702 -5.415 1.00 0.00 O ATOM 698 OE2 GLU A 50 -8.318 -18.687 -3.816 1.00 0.00 O ATOM 0 H GLU A 50 -6.596 -13.404 -4.581 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.333 -15.164 -2.222 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.456 -15.917 -5.027 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.499 -16.940 -3.604 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.126 -16.225 -3.754 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.693 -16.156 -5.451 1.00 0.00 H new ATOM 705 N GLY A 51 -4.241 -13.801 -1.959 1.00 0.00 N ATOM 706 CA GLY A 51 -2.917 -13.243 -1.760 1.00 0.00 C ATOM 707 C GLY A 51 -2.885 -12.202 -0.657 1.00 0.00 C ATOM 708 O GLY A 51 -3.348 -12.453 0.454 1.00 0.00 O ATOM 0 H GLY A 51 -4.855 -13.749 -1.146 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.221 -14.046 -1.518 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.573 -12.792 -2.691 1.00 0.00 H new ATOM 712 N THR A 52 -2.336 -11.032 -0.967 1.00 0.00 N ATOM 713 CA THR A 52 -2.245 -9.949 0.006 1.00 0.00 C ATOM 714 C THR A 52 -2.467 -8.597 -0.663 1.00 0.00 C ATOM 715 O THR A 52 -2.109 -8.402 -1.824 1.00 0.00 O ATOM 716 CB THR A 52 -0.882 -9.972 0.700 1.00 0.00 C ATOM 717 OG1 THR A 52 -0.383 -11.295 0.781 1.00 0.00 O ATOM 718 CG2 THR A 52 -0.917 -9.408 2.104 1.00 0.00 C ATOM 0 H THR A 52 -1.948 -10.810 -1.884 1.00 0.00 H new ATOM 0 HA THR A 52 -3.026 -10.097 0.752 1.00 0.00 H new ATOM 0 HB THR A 52 -0.235 -9.343 0.088 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.180 -11.384 1.578 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.081 -9.454 2.539 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.252 -8.371 2.071 1.00 0.00 H new ATOM 0 HG23 THR A 52 -1.606 -9.992 2.714 1.00 0.00 H new ATOM 726 N TRP A 53 -3.059 -7.666 0.078 1.00 0.00 N ATOM 727 CA TRP A 53 -3.329 -6.331 -0.442 1.00 0.00 C ATOM 728 C TRP A 53 -3.016 -5.266 0.603 1.00 0.00 C ATOM 729 O TRP A 53 -2.952 -5.555 1.798 1.00 0.00 O ATOM 730 CB TRP A 53 -4.790 -6.218 -0.882 1.00 0.00 C ATOM 731 CG TRP A 53 -5.117 -7.056 -2.080 1.00 0.00 C ATOM 732 CD1 TRP A 53 -5.089 -8.419 -2.159 1.00 0.00 C ATOM 733 CD2 TRP A 53 -5.523 -6.586 -3.370 1.00 0.00 C ATOM 734 NE1 TRP A 53 -5.451 -8.824 -3.421 1.00 0.00 N ATOM 735 CE2 TRP A 53 -5.722 -7.717 -4.183 1.00 0.00 C ATOM 736 CE3 TRP A 53 -5.736 -5.317 -3.918 1.00 0.00 C ATOM 737 CZ2 TRP A 53 -6.126 -7.618 -5.512 1.00 0.00 C ATOM 738 CZ3 TRP A 53 -6.136 -5.220 -5.236 1.00 0.00 C ATOM 739 CH2 TRP A 53 -6.327 -6.365 -6.021 1.00 0.00 C ATOM 0 H TRP A 53 -3.361 -7.812 1.041 1.00 0.00 H new ATOM 0 HA TRP A 53 -2.684 -6.167 -1.305 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -5.435 -6.513 -0.054 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -5.015 -5.175 -1.105 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -4.822 -9.081 -1.349 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -5.509 -9.791 -3.739 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -5.590 -4.429 -3.321 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -6.275 -8.499 -6.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -6.305 -4.245 -5.669 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -6.639 -6.255 -7.049 1.00 0.00 H new ATOM 750 N VAL A 54 -2.823 -4.034 0.146 1.00 0.00 N ATOM 751 CA VAL A 54 -2.516 -2.925 1.041 1.00 0.00 C ATOM 752 C VAL A 54 -3.450 -1.745 0.796 1.00 0.00 C ATOM 753 O VAL A 54 -3.706 -1.371 -0.348 1.00 0.00 O ATOM 754 CB VAL A 54 -1.059 -2.454 0.875 1.00 0.00 C ATOM 755 CG1 VAL A 54 -0.699 -1.438 1.948 1.00 0.00 C ATOM 756 CG2 VAL A 54 -0.107 -3.640 0.912 1.00 0.00 C ATOM 0 H VAL A 54 -2.874 -3.778 -0.840 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.657 -3.292 2.057 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.962 -1.970 -0.097 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.334 -1.118 1.814 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.360 -0.575 1.868 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.813 -1.892 2.932 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.918 -3.288 0.793 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.205 -4.156 1.867 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.351 -4.327 0.102 1.00 0.00 H new ATOM 766 N GLY A 55 -3.957 -1.164 1.878 1.00 0.00 N ATOM 767 CA GLY A 55 -4.858 -0.032 1.759 1.00 0.00 C ATOM 768 C GLY A 55 -4.155 1.294 1.968 1.00 0.00 C ATOM 769 O GLY A 55 -4.086 1.799 3.089 1.00 0.00 O ATOM 0 H GLY A 55 -3.760 -1.456 2.835 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.321 -0.042 0.772 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.661 -0.133 2.489 1.00 0.00 H new ATOM 773 N VAL A 56 -3.630 1.861 0.885 1.00 0.00 N ATOM 774 CA VAL A 56 -2.929 3.137 0.955 1.00 0.00 C ATOM 775 C VAL A 56 -3.904 4.287 1.181 1.00 0.00 C ATOM 776 O VAL A 56 -4.947 4.366 0.531 1.00 0.00 O ATOM 777 CB VAL A 56 -2.122 3.407 -0.330 1.00 0.00 C ATOM 778 CG1 VAL A 56 -1.275 4.661 -0.178 1.00 0.00 C ATOM 779 CG2 VAL A 56 -1.253 2.208 -0.679 1.00 0.00 C ATOM 0 H VAL A 56 -3.677 1.456 -0.050 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.242 3.075 1.799 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.824 3.568 -1.148 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.713 4.834 -1.096 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.922 5.516 0.018 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.582 4.533 0.653 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.691 2.418 -1.589 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.559 2.011 0.138 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.885 1.334 -0.837 1.00 0.00 H new ATOM 789 N GLU A 57 -3.559 5.177 2.106 1.00 0.00 N ATOM 790 CA GLU A 57 -4.405 6.323 2.417 1.00 0.00 C ATOM 791 C GLU A 57 -3.881 7.585 1.738 1.00 0.00 C ATOM 792 O GLU A 57 -2.801 8.076 2.065 1.00 0.00 O ATOM 793 CB GLU A 57 -4.474 6.536 3.930 1.00 0.00 C ATOM 794 CG GLU A 57 -5.564 7.504 4.359 1.00 0.00 C ATOM 795 CD GLU A 57 -5.614 7.699 5.861 1.00 0.00 C ATOM 796 OE1 GLU A 57 -4.802 8.492 6.384 1.00 0.00 O ATOM 797 OE2 GLU A 57 -6.463 7.059 6.515 1.00 0.00 O ATOM 0 H GLU A 57 -2.700 5.126 2.653 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.407 6.117 2.040 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.641 5.575 4.417 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.511 6.908 4.280 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.399 8.468 3.877 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.529 7.135 4.012 1.00 0.00 H new ATOM 804 N LEU A 58 -4.655 8.106 0.791 1.00 0.00 N ATOM 805 CA LEU A 58 -4.269 9.311 0.067 1.00 0.00 C ATOM 806 C LEU A 58 -4.567 10.560 0.890 1.00 0.00 C ATOM 807 O LEU A 58 -5.259 10.496 1.906 1.00 0.00 O ATOM 808 CB LEU A 58 -5.004 9.383 -1.274 1.00 0.00 C ATOM 809 CG LEU A 58 -4.719 8.226 -2.232 1.00 0.00 C ATOM 810 CD1 LEU A 58 -5.582 8.342 -3.479 1.00 0.00 C ATOM 811 CD2 LEU A 58 -3.245 8.193 -2.603 1.00 0.00 C ATOM 0 H LEU A 58 -5.552 7.713 0.508 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.195 9.266 -0.116 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.076 9.419 -1.082 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.737 10.317 -1.768 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.967 7.292 -1.728 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.366 7.510 -4.150 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.635 8.317 -3.197 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.365 9.282 -3.986 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.060 7.363 -3.285 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.971 9.130 -3.088 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.646 8.062 -1.702 1.00 0.00 H new ATOM 823 N ASP A 59 -4.038 11.695 0.444 1.00 0.00 N ATOM 824 CA ASP A 59 -4.247 12.960 1.137 1.00 0.00 C ATOM 825 C ASP A 59 -5.226 13.847 0.375 1.00 0.00 C ATOM 826 O ASP A 59 -5.890 14.703 0.960 1.00 0.00 O ATOM 827 CB ASP A 59 -2.915 13.691 1.320 1.00 0.00 C ATOM 828 CG ASP A 59 -1.961 12.936 2.224 1.00 0.00 C ATOM 829 OD1 ASP A 59 -2.376 12.556 3.340 1.00 0.00 O ATOM 830 OD2 ASP A 59 -0.799 12.726 1.819 1.00 0.00 O ATOM 0 H ASP A 59 -3.461 11.764 -0.395 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.673 12.741 2.116 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.448 13.839 0.346 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.101 14.680 1.738 1.00 0.00 H new ATOM 835 N LEU A 60 -5.311 13.639 -0.936 1.00 0.00 N ATOM 836 CA LEU A 60 -6.209 14.421 -1.778 1.00 0.00 C ATOM 837 C LEU A 60 -7.371 13.565 -2.278 1.00 0.00 C ATOM 838 O LEU A 60 -7.252 12.345 -2.386 1.00 0.00 O ATOM 839 CB LEU A 60 -5.445 15.007 -2.966 1.00 0.00 C ATOM 840 CG LEU A 60 -4.252 15.892 -2.596 1.00 0.00 C ATOM 841 CD1 LEU A 60 -3.246 15.934 -3.735 1.00 0.00 C ATOM 842 CD2 LEU A 60 -4.720 17.294 -2.243 1.00 0.00 C ATOM 0 H LEU A 60 -4.769 12.936 -1.437 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.614 15.235 -1.177 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.090 14.187 -3.590 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.138 15.592 -3.571 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.762 15.463 -1.722 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.405 16.568 -3.454 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.888 14.925 -3.941 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.723 16.339 -4.627 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.859 17.910 -1.982 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.234 17.732 -3.098 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.403 17.247 -1.395 1.00 0.00 H new ATOM 854 N PRO A 61 -8.515 14.198 -2.591 1.00 0.00 N ATOM 855 CA PRO A 61 -9.699 13.489 -3.083 1.00 0.00 C ATOM 856 C PRO A 61 -9.520 12.979 -4.510 1.00 0.00 C ATOM 857 O PRO A 61 -10.073 13.539 -5.455 1.00 0.00 O ATOM 858 CB PRO A 61 -10.796 14.554 -3.029 1.00 0.00 C ATOM 859 CG PRO A 61 -10.072 15.848 -3.167 1.00 0.00 C ATOM 860 CD PRO A 61 -8.741 15.653 -2.493 1.00 0.00 C ATOM 0 HA PRO A 61 -9.918 12.601 -2.491 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -11.520 14.418 -3.832 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.348 14.507 -2.090 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.943 16.113 -4.216 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -10.631 16.659 -2.700 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.952 16.216 -2.992 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.764 15.987 -1.456 1.00 0.00 H new ATOM 868 N SER A 62 -8.741 11.912 -4.656 1.00 0.00 N ATOM 869 CA SER A 62 -8.488 11.326 -5.968 1.00 0.00 C ATOM 870 C SER A 62 -7.887 9.930 -5.834 1.00 0.00 C ATOM 871 O SER A 62 -6.674 9.776 -5.690 1.00 0.00 O ATOM 872 CB SER A 62 -7.549 12.222 -6.778 1.00 0.00 C ATOM 873 OG SER A 62 -7.283 11.664 -8.052 1.00 0.00 O ATOM 0 H SER A 62 -8.275 11.436 -3.884 1.00 0.00 H new ATOM 0 HA SER A 62 -9.441 11.243 -6.491 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.996 13.209 -6.896 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.614 12.358 -6.235 1.00 0.00 H new ATOM 0 HG SER A 62 -6.682 12.257 -8.550 1.00 0.00 H new ATOM 879 N GLY A 63 -8.745 8.915 -5.883 1.00 0.00 N ATOM 880 CA GLY A 63 -8.280 7.545 -5.766 1.00 0.00 C ATOM 881 C GLY A 63 -9.302 6.542 -6.263 1.00 0.00 C ATOM 882 O GLY A 63 -9.629 6.517 -7.450 1.00 0.00 O ATOM 0 H GLY A 63 -9.753 9.017 -6.002 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.356 7.429 -6.332 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.044 7.332 -4.723 1.00 0.00 H new ATOM 886 N LYS A 64 -9.806 5.715 -5.354 1.00 0.00 N ATOM 887 CA LYS A 64 -10.796 4.703 -5.706 1.00 0.00 C ATOM 888 C LYS A 64 -11.269 3.950 -4.467 1.00 0.00 C ATOM 889 O LYS A 64 -10.517 3.784 -3.506 1.00 0.00 O ATOM 890 CB LYS A 64 -10.215 3.722 -6.728 1.00 0.00 C ATOM 891 CG LYS A 64 -10.737 3.935 -8.139 1.00 0.00 C ATOM 892 CD LYS A 64 -11.936 3.045 -8.429 1.00 0.00 C ATOM 893 CE LYS A 64 -11.528 1.786 -9.177 1.00 0.00 C ATOM 894 NZ LYS A 64 -10.938 2.094 -10.510 1.00 0.00 N ATOM 0 H LYS A 64 -9.546 5.725 -4.368 1.00 0.00 H new ATOM 0 HA LYS A 64 -11.654 5.209 -6.149 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.129 3.816 -6.733 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.445 2.704 -6.414 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.018 4.980 -8.271 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -9.944 3.725 -8.857 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.422 2.772 -7.493 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -12.667 3.599 -9.018 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.805 1.229 -8.581 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -12.399 1.143 -9.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -11.137 1.312 -11.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -11.356 2.972 -10.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.909 2.214 -10.415 1.00 0.00 H new ATOM 908 N ASN A 65 -12.519 3.499 -4.494 1.00 0.00 N ATOM 909 CA ASN A 65 -13.094 2.764 -3.373 1.00 0.00 C ATOM 910 C ASN A 65 -13.176 3.647 -2.132 1.00 0.00 C ATOM 911 O ASN A 65 -12.208 4.318 -1.771 1.00 0.00 O ATOM 912 CB ASN A 65 -12.266 1.512 -3.067 1.00 0.00 C ATOM 913 CG ASN A 65 -11.865 0.761 -4.323 1.00 0.00 C ATOM 914 OD1 ASN A 65 -10.712 0.815 -4.751 1.00 0.00 O ATOM 915 ND2 ASN A 65 -12.817 0.055 -4.921 1.00 0.00 N ATOM 0 H ASN A 65 -13.154 3.630 -5.281 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.103 2.460 -3.653 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -11.370 1.798 -2.517 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -12.840 0.850 -2.419 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -12.606 -0.470 -5.769 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -13.760 0.038 -4.532 1.00 0.00 H new ATOM 922 N ASP A 66 -14.335 3.643 -1.483 1.00 0.00 N ATOM 923 CA ASP A 66 -14.541 4.446 -0.284 1.00 0.00 C ATOM 924 C ASP A 66 -14.216 3.645 0.974 1.00 0.00 C ATOM 925 O ASP A 66 -14.997 3.618 1.926 1.00 0.00 O ATOM 926 CB ASP A 66 -15.984 4.952 -0.224 1.00 0.00 C ATOM 927 CG ASP A 66 -16.422 5.605 -1.520 1.00 0.00 C ATOM 928 OD1 ASP A 66 -15.543 5.957 -2.336 1.00 0.00 O ATOM 929 OD2 ASP A 66 -17.645 5.765 -1.721 1.00 0.00 O ATOM 0 H ASP A 66 -15.146 3.093 -1.767 1.00 0.00 H new ATOM 0 HA ASP A 66 -13.866 5.300 -0.331 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -16.649 4.119 0.003 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -16.081 5.669 0.592 1.00 0.00 H new ATOM 934 N GLY A 67 -13.058 2.992 0.970 1.00 0.00 N ATOM 935 CA GLY A 67 -12.650 2.200 2.116 1.00 0.00 C ATOM 936 C GLY A 67 -13.049 0.743 1.988 1.00 0.00 C ATOM 937 O GLY A 67 -12.257 -0.152 2.286 1.00 0.00 O ATOM 0 H GLY A 67 -12.396 2.997 0.194 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -11.569 2.268 2.234 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.096 2.617 3.019 1.00 0.00 H new ATOM 941 N SER A 68 -14.279 0.504 1.546 1.00 0.00 N ATOM 942 CA SER A 68 -14.780 -0.857 1.382 1.00 0.00 C ATOM 943 C SER A 68 -15.119 -1.142 -0.077 1.00 0.00 C ATOM 944 O SER A 68 -15.457 -0.233 -0.836 1.00 0.00 O ATOM 945 CB SER A 68 -16.016 -1.076 2.258 1.00 0.00 C ATOM 946 OG SER A 68 -17.128 -0.354 1.760 1.00 0.00 O ATOM 0 H SER A 68 -14.947 1.233 1.295 1.00 0.00 H new ATOM 0 HA SER A 68 -13.995 -1.546 1.693 1.00 0.00 H new ATOM 0 HB2 SER A 68 -16.256 -2.139 2.295 1.00 0.00 H new ATOM 0 HB3 SER A 68 -15.802 -0.761 3.279 1.00 0.00 H new ATOM 0 HG SER A 68 -17.905 -0.512 2.336 1.00 0.00 H new ATOM 952 N ILE A 69 -15.028 -2.411 -0.462 1.00 0.00 N ATOM 953 CA ILE A 69 -15.324 -2.819 -1.830 1.00 0.00 C ATOM 954 C ILE A 69 -16.293 -3.997 -1.852 1.00 0.00 C ATOM 955 O ILE A 69 -16.058 -5.018 -1.207 1.00 0.00 O ATOM 956 CB ILE A 69 -14.041 -3.208 -2.592 1.00 0.00 C ATOM 957 CG1 ILE A 69 -12.979 -2.116 -2.442 1.00 0.00 C ATOM 958 CG2 ILE A 69 -14.353 -3.457 -4.061 1.00 0.00 C ATOM 959 CD1 ILE A 69 -11.723 -2.588 -1.743 1.00 0.00 C ATOM 0 H ILE A 69 -14.751 -3.175 0.155 1.00 0.00 H new ATOM 0 HA ILE A 69 -15.784 -1.963 -2.324 1.00 0.00 H new ATOM 0 HB ILE A 69 -13.647 -4.130 -2.164 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -12.715 -1.738 -3.430 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -13.404 -1.281 -1.885 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -13.438 -3.731 -4.586 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -15.077 -4.267 -4.147 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -14.768 -2.551 -4.503 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -11.014 -1.763 -1.672 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -11.974 -2.939 -0.742 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -11.275 -3.403 -2.311 1.00 0.00 H new ATOM 971 N GLY A 70 -17.382 -3.847 -2.600 1.00 0.00 N ATOM 972 CA GLY A 70 -18.369 -4.907 -2.691 1.00 0.00 C ATOM 973 C GLY A 70 -19.247 -4.988 -1.457 1.00 0.00 C ATOM 974 O GLY A 70 -20.358 -4.458 -1.443 1.00 0.00 O ATOM 0 H GLY A 70 -17.598 -3.012 -3.144 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -18.995 -4.743 -3.568 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -17.861 -5.861 -2.836 1.00 0.00 H new ATOM 978 N GLY A 71 -18.748 -5.653 -0.421 1.00 0.00 N ATOM 979 CA GLY A 71 -19.506 -5.788 0.808 1.00 0.00 C ATOM 980 C GLY A 71 -18.623 -6.089 2.003 1.00 0.00 C ATOM 981 O GLY A 71 -19.018 -6.825 2.908 1.00 0.00 O ATOM 0 H GLY A 71 -17.832 -6.101 -0.411 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -20.060 -4.868 0.992 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -20.240 -6.585 0.693 1.00 0.00 H new ATOM 985 N LYS A 72 -17.424 -5.517 2.007 1.00 0.00 N ATOM 986 CA LYS A 72 -16.479 -5.726 3.098 1.00 0.00 C ATOM 987 C LYS A 72 -15.515 -4.551 3.215 1.00 0.00 C ATOM 988 O LYS A 72 -14.858 -4.175 2.246 1.00 0.00 O ATOM 989 CB LYS A 72 -15.697 -7.022 2.879 1.00 0.00 C ATOM 990 CG LYS A 72 -14.833 -7.422 4.067 1.00 0.00 C ATOM 991 CD LYS A 72 -15.361 -8.675 4.751 1.00 0.00 C ATOM 992 CE LYS A 72 -15.910 -8.366 6.136 1.00 0.00 C ATOM 993 NZ LYS A 72 -17.331 -7.925 6.085 1.00 0.00 N ATOM 0 H LYS A 72 -17.083 -4.904 1.266 1.00 0.00 H new ATOM 0 HA LYS A 72 -17.044 -5.802 4.027 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -16.399 -7.828 2.663 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.062 -6.909 2.000 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -13.810 -7.594 3.732 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -14.799 -6.602 4.785 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.145 -9.122 4.139 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -14.561 -9.411 4.832 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -15.827 -9.252 6.765 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -15.305 -7.588 6.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -17.478 -7.149 6.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -17.558 -7.596 5.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -17.951 -8.722 6.333 1.00 0.00 H new ATOM 1007 N GLN A 73 -15.437 -3.973 4.410 1.00 0.00 N ATOM 1008 CA GLN A 73 -14.553 -2.839 4.653 1.00 0.00 C ATOM 1009 C GLN A 73 -13.191 -3.307 5.155 1.00 0.00 C ATOM 1010 O GLN A 73 -13.036 -4.449 5.587 1.00 0.00 O ATOM 1011 CB GLN A 73 -15.182 -1.882 5.668 1.00 0.00 C ATOM 1012 CG GLN A 73 -14.554 -0.498 5.671 1.00 0.00 C ATOM 1013 CD GLN A 73 -15.376 0.514 6.442 1.00 0.00 C ATOM 1014 OE1 GLN A 73 -15.673 0.321 7.621 1.00 0.00 O ATOM 1015 NE2 GLN A 73 -15.750 1.602 5.778 1.00 0.00 N ATOM 0 H GLN A 73 -15.975 -4.271 5.224 1.00 0.00 H new ATOM 0 HA GLN A 73 -14.411 -2.314 3.708 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -16.247 -1.788 5.454 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -15.094 -2.314 6.665 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -13.556 -0.557 6.106 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -14.434 -0.155 4.643 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -15.481 1.721 4.801 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -16.306 2.319 6.245 1.00 0.00 H new ATOM 1024 N TYR A 74 -12.206 -2.416 5.094 1.00 0.00 N ATOM 1025 CA TYR A 74 -10.856 -2.737 5.542 1.00 0.00 C ATOM 1026 C TYR A 74 -10.268 -1.592 6.361 1.00 0.00 C ATOM 1027 O TYR A 74 -9.708 -1.808 7.435 1.00 0.00 O ATOM 1028 CB TYR A 74 -9.956 -3.037 4.342 1.00 0.00 C ATOM 1029 CG TYR A 74 -10.399 -4.240 3.540 1.00 0.00 C ATOM 1030 CD1 TYR A 74 -10.394 -5.511 4.100 1.00 0.00 C ATOM 1031 CD2 TYR A 74 -10.823 -4.104 2.223 1.00 0.00 C ATOM 1032 CE1 TYR A 74 -10.797 -6.614 3.370 1.00 0.00 C ATOM 1033 CE2 TYR A 74 -11.229 -5.201 1.488 1.00 0.00 C ATOM 1034 CZ TYR A 74 -11.214 -6.454 2.066 1.00 0.00 C ATOM 1035 OH TYR A 74 -11.617 -7.549 1.336 1.00 0.00 O ATOM 0 H TYR A 74 -12.318 -1.466 4.739 1.00 0.00 H new ATOM 0 HA TYR A 74 -10.911 -3.622 6.176 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -9.932 -2.164 3.689 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.937 -3.200 4.694 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -10.070 -5.640 5.122 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -10.835 -3.125 1.767 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -10.785 -7.596 3.819 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -11.556 -5.079 0.466 1.00 0.00 H new ATOM 0 HH TYR A 74 -11.835 -7.271 0.422 1.00 0.00 H new ATOM 1045 N PHE A 75 -10.400 -0.374 5.845 1.00 0.00 N ATOM 1046 CA PHE A 75 -9.882 0.806 6.528 1.00 0.00 C ATOM 1047 C PHE A 75 -10.851 1.977 6.404 1.00 0.00 C ATOM 1048 O PHE A 75 -11.144 2.438 5.300 1.00 0.00 O ATOM 1049 CB PHE A 75 -8.517 1.195 5.956 1.00 0.00 C ATOM 1050 CG PHE A 75 -8.523 1.392 4.467 1.00 0.00 C ATOM 1051 CD1 PHE A 75 -8.605 0.305 3.612 1.00 0.00 C ATOM 1052 CD2 PHE A 75 -8.447 2.664 3.924 1.00 0.00 C ATOM 1053 CE1 PHE A 75 -8.611 0.483 2.242 1.00 0.00 C ATOM 1054 CE2 PHE A 75 -8.453 2.849 2.554 1.00 0.00 C ATOM 1055 CZ PHE A 75 -8.535 1.756 1.712 1.00 0.00 C ATOM 0 H PHE A 75 -10.861 -0.179 4.956 1.00 0.00 H new ATOM 0 HA PHE A 75 -9.769 0.562 7.584 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.181 2.115 6.434 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.792 0.421 6.209 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -8.665 -0.693 4.021 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -8.382 3.521 4.578 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -8.675 -0.373 1.586 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -8.394 3.846 2.142 1.00 0.00 H new ATOM 0 HZ PHE A 75 -8.540 1.897 0.641 1.00 0.00 H new ATOM 1065 N ARG A 76 -11.346 2.452 7.542 1.00 0.00 N ATOM 1066 CA ARG A 76 -12.283 3.569 7.560 1.00 0.00 C ATOM 1067 C ARG A 76 -11.659 4.814 6.936 1.00 0.00 C ATOM 1068 O ARG A 76 -10.651 5.327 7.424 1.00 0.00 O ATOM 1069 CB ARG A 76 -12.725 3.866 8.996 1.00 0.00 C ATOM 1070 CG ARG A 76 -14.176 3.503 9.272 1.00 0.00 C ATOM 1071 CD ARG A 76 -14.296 2.479 10.390 1.00 0.00 C ATOM 1072 NE ARG A 76 -14.633 3.100 11.668 1.00 0.00 N ATOM 1073 CZ ARG A 76 -15.861 3.495 11.999 1.00 0.00 C ATOM 1074 NH1 ARG A 76 -16.868 3.335 11.150 1.00 0.00 N ATOM 1075 NH2 ARG A 76 -16.082 4.049 13.183 1.00 0.00 N ATOM 0 H ARG A 76 -11.114 2.081 8.463 1.00 0.00 H new ATOM 0 HA ARG A 76 -13.156 3.290 6.969 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -12.084 3.317 9.686 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -12.579 4.927 9.201 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -14.731 4.402 9.540 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -14.631 3.106 8.364 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -15.060 1.747 10.130 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -13.355 1.937 10.487 1.00 0.00 H new ATOM 0 HE ARG A 76 -13.884 3.239 12.347 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -16.704 2.908 10.239 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -17.807 3.639 11.409 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -15.312 4.173 13.840 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -17.022 4.352 13.437 1.00 0.00 H new ATOM 1089 N CYS A 77 -12.265 5.295 5.856 1.00 0.00 N ATOM 1090 CA CYS A 77 -11.770 6.480 5.165 1.00 0.00 C ATOM 1091 C CYS A 77 -12.917 7.250 4.518 1.00 0.00 C ATOM 1092 O CYS A 77 -14.034 6.744 4.410 1.00 0.00 O ATOM 1093 CB CYS A 77 -10.740 6.085 4.106 1.00 0.00 C ATOM 1094 SG CYS A 77 -9.024 6.357 4.609 1.00 0.00 S ATOM 0 H CYS A 77 -13.100 4.882 5.440 1.00 0.00 H new ATOM 0 HA CYS A 77 -11.292 7.127 5.900 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -10.873 5.031 3.860 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -10.935 6.652 3.196 1.00 0.00 H new ATOM 0 HG CYS A 77 -8.225 5.894 3.694 1.00 0.00 H new ATOM 1100 N ASN A 78 -12.634 8.477 4.090 1.00 0.00 N ATOM 1101 CA ASN A 78 -13.644 9.315 3.454 1.00 0.00 C ATOM 1102 C ASN A 78 -13.844 8.913 1.994 1.00 0.00 C ATOM 1103 O ASN A 78 -12.891 8.538 1.310 1.00 0.00 O ATOM 1104 CB ASN A 78 -13.239 10.788 3.539 1.00 0.00 C ATOM 1105 CG ASN A 78 -13.447 11.367 4.924 1.00 0.00 C ATOM 1106 OD1 ASN A 78 -14.492 11.166 5.542 1.00 0.00 O ATOM 1107 ND2 ASN A 78 -12.450 12.092 5.419 1.00 0.00 N ATOM 0 H ASN A 78 -11.715 8.912 4.172 1.00 0.00 H new ATOM 0 HA ASN A 78 -14.586 9.173 3.983 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -12.190 10.890 3.260 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -13.819 11.363 2.817 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -12.533 12.508 6.347 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -11.601 12.233 4.871 1.00 0.00 H new ATOM 1114 N PRO A 79 -15.090 8.987 1.494 1.00 0.00 N ATOM 1115 CA PRO A 79 -15.406 8.627 0.107 1.00 0.00 C ATOM 1116 C PRO A 79 -14.546 9.387 -0.898 1.00 0.00 C ATOM 1117 O PRO A 79 -14.584 10.616 -0.959 1.00 0.00 O ATOM 1118 CB PRO A 79 -16.877 9.024 -0.043 1.00 0.00 C ATOM 1119 CG PRO A 79 -17.421 9.006 1.343 1.00 0.00 C ATOM 1120 CD PRO A 79 -16.287 9.423 2.237 1.00 0.00 C ATOM 0 HA PRO A 79 -15.215 7.572 -0.091 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -16.976 10.012 -0.494 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -17.411 8.325 -0.686 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -18.266 9.688 1.440 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -17.782 8.012 1.608 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -16.284 10.500 2.408 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -16.349 8.946 3.215 1.00 0.00 H new ATOM 1128 N GLY A 80 -13.773 8.647 -1.687 1.00 0.00 N ATOM 1129 CA GLY A 80 -12.918 9.268 -2.680 1.00 0.00 C ATOM 1130 C GLY A 80 -11.587 9.712 -2.107 1.00 0.00 C ATOM 1131 O GLY A 80 -10.995 10.684 -2.576 1.00 0.00 O ATOM 0 H GLY A 80 -13.724 7.629 -1.656 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.743 8.565 -3.494 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -13.431 10.129 -3.108 1.00 0.00 H new ATOM 1135 N TYR A 81 -11.114 8.998 -1.091 1.00 0.00 N ATOM 1136 CA TYR A 81 -9.843 9.325 -0.454 1.00 0.00 C ATOM 1137 C TYR A 81 -8.989 8.075 -0.270 1.00 0.00 C ATOM 1138 O TYR A 81 -7.797 8.075 -0.579 1.00 0.00 O ATOM 1139 CB TYR A 81 -10.083 9.996 0.899 1.00 0.00 C ATOM 1140 CG TYR A 81 -10.554 11.429 0.792 1.00 0.00 C ATOM 1141 CD1 TYR A 81 -9.647 12.465 0.608 1.00 0.00 C ATOM 1142 CD2 TYR A 81 -11.905 11.744 0.874 1.00 0.00 C ATOM 1143 CE1 TYR A 81 -10.074 13.776 0.509 1.00 0.00 C ATOM 1144 CE2 TYR A 81 -12.338 13.053 0.777 1.00 0.00 C ATOM 1145 CZ TYR A 81 -11.419 14.065 0.594 1.00 0.00 C ATOM 1146 OH TYR A 81 -11.847 15.368 0.496 1.00 0.00 O ATOM 0 H TYR A 81 -11.591 8.190 -0.691 1.00 0.00 H new ATOM 0 HA TYR A 81 -9.308 10.017 -1.104 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -10.823 9.420 1.454 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -9.159 9.969 1.477 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -8.592 12.243 0.541 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -12.628 10.954 1.016 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -9.357 14.571 0.366 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -13.391 13.282 0.844 1.00 0.00 H new ATOM 0 HH TYR A 81 -12.823 15.398 0.575 1.00 0.00 H new ATOM 1156 N GLY A 82 -9.605 7.011 0.233 1.00 0.00 N ATOM 1157 CA GLY A 82 -8.886 5.769 0.448 1.00 0.00 C ATOM 1158 C GLY A 82 -8.561 5.056 -0.849 1.00 0.00 C ATOM 1159 O GLY A 82 -9.192 5.304 -1.877 1.00 0.00 O ATOM 0 H GLY A 82 -10.590 6.986 0.496 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.961 5.977 0.987 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.483 5.112 1.081 1.00 0.00 H new ATOM 1163 N LEU A 83 -7.573 4.169 -0.803 1.00 0.00 N ATOM 1164 CA LEU A 83 -7.165 3.417 -1.985 1.00 0.00 C ATOM 1165 C LEU A 83 -6.572 2.068 -1.593 1.00 0.00 C ATOM 1166 O LEU A 83 -5.758 1.978 -0.674 1.00 0.00 O ATOM 1167 CB LEU A 83 -6.146 4.219 -2.797 1.00 0.00 C ATOM 1168 CG LEU A 83 -5.811 3.637 -4.171 1.00 0.00 C ATOM 1169 CD1 LEU A 83 -6.876 4.022 -5.187 1.00 0.00 C ATOM 1170 CD2 LEU A 83 -4.439 4.108 -4.629 1.00 0.00 C ATOM 0 H LEU A 83 -7.040 3.953 0.039 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.050 3.240 -2.597 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.527 5.231 -2.931 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.225 4.299 -2.219 1.00 0.00 H new ATOM 0 HG LEU A 83 -5.791 2.550 -4.090 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -6.621 3.599 -6.159 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.843 3.635 -4.865 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.928 5.108 -5.266 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.217 3.684 -5.608 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -4.431 5.196 -4.694 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.685 3.782 -3.913 1.00 0.00 H new ATOM 1182 N LEU A 84 -6.985 1.019 -2.299 1.00 0.00 N ATOM 1183 CA LEU A 84 -6.495 -0.327 -2.026 1.00 0.00 C ATOM 1184 C LEU A 84 -5.659 -0.848 -3.191 1.00 0.00 C ATOM 1185 O LEU A 84 -6.126 -0.898 -4.329 1.00 0.00 O ATOM 1186 CB LEU A 84 -7.668 -1.274 -1.755 1.00 0.00 C ATOM 1187 CG LEU A 84 -7.560 -2.086 -0.463 1.00 0.00 C ATOM 1188 CD1 LEU A 84 -8.936 -2.529 0.007 1.00 0.00 C ATOM 1189 CD2 LEU A 84 -6.651 -3.290 -0.668 1.00 0.00 C ATOM 0 H LEU A 84 -7.657 1.076 -3.064 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.861 -0.285 -1.140 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.587 -0.689 -1.723 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -7.759 -1.964 -2.594 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.124 -1.451 0.308 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -8.838 -3.105 0.927 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -9.557 -1.652 0.192 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -9.401 -3.148 -0.761 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.584 -3.858 0.260 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.060 -3.925 -1.453 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.657 -2.950 -0.958 1.00 0.00 H new ATOM 1201 N VAL A 85 -4.422 -1.234 -2.898 1.00 0.00 N ATOM 1202 CA VAL A 85 -3.521 -1.752 -3.921 1.00 0.00 C ATOM 1203 C VAL A 85 -2.673 -2.898 -3.378 1.00 0.00 C ATOM 1204 O VAL A 85 -2.363 -2.943 -2.188 1.00 0.00 O ATOM 1205 CB VAL A 85 -2.589 -0.650 -4.457 1.00 0.00 C ATOM 1206 CG1 VAL A 85 -3.371 0.351 -5.293 1.00 0.00 C ATOM 1207 CG2 VAL A 85 -1.870 0.047 -3.312 1.00 0.00 C ATOM 0 H VAL A 85 -4.020 -1.198 -1.961 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.145 -2.119 -4.736 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.839 -1.115 -5.096 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.696 1.122 -5.663 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.833 -0.162 -6.136 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.146 0.811 -4.679 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.216 0.822 -3.711 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.603 0.499 -2.644 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.275 -0.680 -2.760 1.00 0.00 H new ATOM 1217 N ARG A 86 -2.301 -3.820 -4.259 1.00 0.00 N ATOM 1218 CA ARG A 86 -1.487 -4.966 -3.869 1.00 0.00 C ATOM 1219 C ARG A 86 -0.080 -4.525 -3.475 1.00 0.00 C ATOM 1220 O ARG A 86 0.371 -3.445 -3.856 1.00 0.00 O ATOM 1221 CB ARG A 86 -1.413 -5.979 -5.012 1.00 0.00 C ATOM 1222 CG ARG A 86 -2.774 -6.388 -5.555 1.00 0.00 C ATOM 1223 CD ARG A 86 -2.881 -7.895 -5.719 1.00 0.00 C ATOM 1224 NE ARG A 86 -3.615 -8.265 -6.927 1.00 0.00 N ATOM 1225 CZ ARG A 86 -4.108 -9.481 -7.151 1.00 0.00 C ATOM 1226 NH1 ARG A 86 -3.950 -10.445 -6.253 1.00 0.00 N ATOM 1227 NH2 ARG A 86 -4.761 -9.734 -8.276 1.00 0.00 N ATOM 0 H ARG A 86 -2.550 -3.797 -5.248 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.957 -5.436 -3.005 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.820 -5.556 -5.823 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.888 -6.869 -4.664 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.556 -6.038 -4.880 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.943 -5.904 -6.517 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.881 -8.327 -5.756 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.380 -8.320 -4.848 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.758 -7.550 -7.640 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.448 -10.256 -5.385 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.330 -11.375 -6.431 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -4.886 -8.997 -8.970 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -5.139 -10.666 -8.448 1.00 0.00 H new ATOM 1241 N PRO A 87 0.638 -5.360 -2.703 1.00 0.00 N ATOM 1242 CA PRO A 87 2.000 -5.050 -2.260 1.00 0.00 C ATOM 1243 C PRO A 87 2.915 -4.692 -3.425 1.00 0.00 C ATOM 1244 O PRO A 87 3.803 -3.849 -3.296 1.00 0.00 O ATOM 1245 CB PRO A 87 2.466 -6.348 -1.595 1.00 0.00 C ATOM 1246 CG PRO A 87 1.210 -7.031 -1.174 1.00 0.00 C ATOM 1247 CD PRO A 87 0.177 -6.670 -2.204 1.00 0.00 C ATOM 0 HA PRO A 87 2.026 -4.185 -1.597 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.038 -6.964 -2.288 1.00 0.00 H new ATOM 0 HB3 PRO A 87 3.112 -6.145 -0.741 1.00 0.00 H new ATOM 0 HG2 PRO A 87 1.351 -8.111 -1.124 1.00 0.00 H new ATOM 0 HG3 PRO A 87 0.902 -6.704 -0.181 1.00 0.00 H new ATOM 0 HD2 PRO A 87 0.129 -7.410 -3.002 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -0.820 -6.606 -1.768 1.00 0.00 H new ATOM 1255 N SER A 88 2.687 -5.337 -4.563 1.00 0.00 N ATOM 1256 CA SER A 88 3.486 -5.090 -5.757 1.00 0.00 C ATOM 1257 C SER A 88 3.330 -3.647 -6.228 1.00 0.00 C ATOM 1258 O SER A 88 4.216 -3.100 -6.885 1.00 0.00 O ATOM 1259 CB SER A 88 3.077 -6.050 -6.876 1.00 0.00 C ATOM 1260 OG SER A 88 3.483 -7.377 -6.583 1.00 0.00 O ATOM 0 H SER A 88 1.954 -6.036 -4.684 1.00 0.00 H new ATOM 0 HA SER A 88 4.533 -5.260 -5.505 1.00 0.00 H new ATOM 0 HB2 SER A 88 1.996 -6.018 -7.010 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.524 -5.729 -7.817 1.00 0.00 H new ATOM 0 HG SER A 88 3.209 -7.972 -7.312 1.00 0.00 H new ATOM 1266 N ARG A 89 2.199 -3.034 -5.889 1.00 0.00 N ATOM 1267 CA ARG A 89 1.930 -1.655 -6.277 1.00 0.00 C ATOM 1268 C ARG A 89 2.292 -0.686 -5.155 1.00 0.00 C ATOM 1269 O ARG A 89 1.729 0.404 -5.060 1.00 0.00 O ATOM 1270 CB ARG A 89 0.458 -1.490 -6.652 1.00 0.00 C ATOM 1271 CG ARG A 89 0.072 -2.232 -7.920 1.00 0.00 C ATOM 1272 CD ARG A 89 0.633 -1.552 -9.158 1.00 0.00 C ATOM 1273 NE ARG A 89 -0.311 -1.583 -10.273 1.00 0.00 N ATOM 1274 CZ ARG A 89 0.038 -1.410 -11.547 1.00 0.00 C ATOM 1275 NH1 ARG A 89 1.305 -1.192 -11.871 1.00 0.00 N ATOM 1276 NH2 ARG A 89 -0.885 -1.456 -12.498 1.00 0.00 N ATOM 0 H ARG A 89 1.455 -3.472 -5.346 1.00 0.00 H new ATOM 0 HA ARG A 89 2.550 -1.422 -7.143 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.161 -1.846 -5.829 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.240 -0.430 -6.780 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.440 -3.257 -7.869 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -1.014 -2.286 -7.994 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.882 -0.517 -8.922 1.00 0.00 H new ATOM 0 HD3 ARG A 89 1.560 -2.044 -9.453 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.296 -1.747 -10.063 1.00 0.00 H new ATOM 0 HH11 ARG A 89 2.019 -1.156 -11.143 1.00 0.00 H new ATOM 0 HH12 ARG A 89 1.566 -1.060 -12.848 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -1.861 -1.624 -12.254 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -0.619 -1.324 -13.474 1.00 0.00 H new ATOM 1290 N VAL A 90 3.234 -1.090 -4.307 1.00 0.00 N ATOM 1291 CA VAL A 90 3.666 -0.254 -3.194 1.00 0.00 C ATOM 1292 C VAL A 90 5.187 -0.170 -3.129 1.00 0.00 C ATOM 1293 O VAL A 90 5.881 -1.174 -3.286 1.00 0.00 O ATOM 1294 CB VAL A 90 3.135 -0.788 -1.851 1.00 0.00 C ATOM 1295 CG1 VAL A 90 3.423 0.198 -0.731 1.00 0.00 C ATOM 1296 CG2 VAL A 90 1.644 -1.079 -1.944 1.00 0.00 C ATOM 0 H VAL A 90 3.711 -1.989 -4.370 1.00 0.00 H new ATOM 0 HA VAL A 90 3.256 0.741 -3.368 1.00 0.00 H new ATOM 0 HB VAL A 90 3.651 -1.721 -1.623 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.040 -0.198 0.210 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.499 0.351 -0.649 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.937 1.149 -0.949 1.00 0.00 H new ATOM 0 HG21 VAL A 90 1.286 -1.456 -0.986 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.110 -0.163 -2.196 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.467 -1.827 -2.717 1.00 0.00 H new ATOM 1306 N ARG A 91 5.698 1.034 -2.895 1.00 0.00 N ATOM 1307 CA ARG A 91 7.138 1.249 -2.809 1.00 0.00 C ATOM 1308 C ARG A 91 7.482 2.158 -1.633 1.00 0.00 C ATOM 1309 O ARG A 91 6.699 3.033 -1.261 1.00 0.00 O ATOM 1310 CB ARG A 91 7.663 1.858 -4.110 1.00 0.00 C ATOM 1311 CG ARG A 91 7.815 0.848 -5.237 1.00 0.00 C ATOM 1312 CD ARG A 91 9.202 0.904 -5.858 1.00 0.00 C ATOM 1313 NE ARG A 91 9.152 0.833 -7.316 1.00 0.00 N ATOM 1314 CZ ARG A 91 8.970 -0.296 -7.998 1.00 0.00 C ATOM 1315 NH1 ARG A 91 8.819 -1.449 -7.357 1.00 0.00 N ATOM 1316 NH2 ARG A 91 8.939 -0.272 -9.323 1.00 0.00 N ATOM 0 H ARG A 91 5.137 1.875 -2.762 1.00 0.00 H new ATOM 0 HA ARG A 91 7.616 0.282 -2.651 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.985 2.649 -4.431 1.00 0.00 H new ATOM 0 HB3 ARG A 91 8.629 2.325 -3.919 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.628 -0.155 -4.854 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.065 1.042 -6.004 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.697 1.827 -5.557 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.804 0.080 -5.475 1.00 0.00 H new ATOM 0 HE ARG A 91 9.263 1.699 -7.843 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.842 -1.473 -6.338 1.00 0.00 H new ATOM 0 HH12 ARG A 91 8.680 -2.311 -7.884 1.00 0.00 H new ATOM 0 HH21 ARG A 91 9.055 0.611 -9.820 1.00 0.00 H new ATOM 0 HH22 ARG A 91 8.800 -1.137 -9.846 1.00 0.00 H new ATOM 1330 N ARG A 92 8.657 1.944 -1.051 1.00 0.00 N ATOM 1331 CA ARG A 92 9.105 2.743 0.083 1.00 0.00 C ATOM 1332 C ARG A 92 9.388 4.181 -0.343 1.00 0.00 C ATOM 1333 O ARG A 92 10.087 4.421 -1.327 1.00 0.00 O ATOM 1334 CB ARG A 92 10.358 2.123 0.707 1.00 0.00 C ATOM 1335 CG ARG A 92 10.254 1.926 2.210 1.00 0.00 C ATOM 1336 CD ARG A 92 11.585 2.178 2.899 1.00 0.00 C ATOM 1337 NE ARG A 92 11.411 2.728 4.241 1.00 0.00 N ATOM 1338 CZ ARG A 92 12.402 3.242 4.967 1.00 0.00 C ATOM 1339 NH1 ARG A 92 13.637 3.279 4.483 1.00 0.00 N ATOM 1340 NH2 ARG A 92 12.157 3.721 6.179 1.00 0.00 N ATOM 0 H ARG A 92 9.316 1.224 -1.346 1.00 0.00 H new ATOM 0 HA ARG A 92 8.308 2.755 0.826 1.00 0.00 H new ATOM 0 HB2 ARG A 92 10.550 1.160 0.235 1.00 0.00 H new ATOM 0 HB3 ARG A 92 11.215 2.761 0.491 1.00 0.00 H new ATOM 0 HG2 ARG A 92 9.500 2.601 2.615 1.00 0.00 H new ATOM 0 HG3 ARG A 92 9.920 0.911 2.423 1.00 0.00 H new ATOM 0 HD2 ARG A 92 12.144 1.244 2.960 1.00 0.00 H new ATOM 0 HD3 ARG A 92 12.179 2.867 2.299 1.00 0.00 H new ATOM 0 HE ARG A 92 10.475 2.718 4.646 1.00 0.00 H new ATOM 0 HH11 ARG A 92 13.831 2.913 3.551 1.00 0.00 H new ATOM 0 HH12 ARG A 92 14.393 3.674 5.043 1.00 0.00 H new ATOM 0 HH21 ARG A 92 11.209 3.696 6.555 1.00 0.00 H new ATOM 0 HH22 ARG A 92 12.916 4.115 6.735 1.00 0.00 H new ATOM 1354 N ALA A 93 8.840 5.132 0.405 1.00 0.00 N ATOM 1355 CA ALA A 93 9.034 6.546 0.106 1.00 0.00 C ATOM 1356 C ALA A 93 10.273 7.091 0.806 1.00 0.00 C ATOM 1357 O ALA A 93 10.390 7.018 2.029 1.00 0.00 O ATOM 1358 CB ALA A 93 7.803 7.344 0.509 1.00 0.00 C ATOM 0 H ALA A 93 8.258 4.950 1.223 1.00 0.00 H new ATOM 0 HA ALA A 93 9.183 6.647 -0.969 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.962 8.398 0.280 1.00 0.00 H new ATOM 0 HB2 ALA A 93 6.936 6.979 -0.042 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.628 7.227 1.578 1.00 0.00 H new ATOM 1364 N THR A 94 11.197 7.638 0.023 1.00 0.00 N ATOM 1365 CA THR A 94 12.429 8.196 0.568 1.00 0.00 C ATOM 1366 C THR A 94 13.005 9.257 -0.365 1.00 0.00 C ATOM 1367 O THR A 94 14.076 9.077 -0.944 1.00 0.00 O ATOM 1368 CB THR A 94 13.458 7.086 0.797 1.00 0.00 C ATOM 1369 OG1 THR A 94 12.818 5.882 1.179 1.00 0.00 O ATOM 1370 CG2 THR A 94 14.474 7.425 1.866 1.00 0.00 C ATOM 0 H THR A 94 11.116 7.707 -0.991 1.00 0.00 H new ATOM 0 HA THR A 94 12.195 8.667 1.523 1.00 0.00 H new ATOM 0 HB THR A 94 13.979 6.972 -0.154 1.00 0.00 H new ATOM 0 HG1 THR A 94 13.491 5.184 1.319 1.00 0.00 H new ATOM 0 HG21 THR A 94 15.174 6.597 1.979 1.00 0.00 H new ATOM 0 HG22 THR A 94 15.019 8.324 1.578 1.00 0.00 H new ATOM 0 HG23 THR A 94 13.962 7.599 2.812 1.00 0.00 H new ATOM 1378 N SER A 95 12.285 10.366 -0.506 1.00 0.00 N ATOM 1379 CA SER A 95 12.722 11.458 -1.368 1.00 0.00 C ATOM 1380 C SER A 95 12.877 10.984 -2.811 1.00 0.00 C ATOM 1381 O SER A 95 12.707 9.802 -3.108 1.00 0.00 O ATOM 1382 CB SER A 95 14.047 12.033 -0.865 1.00 0.00 C ATOM 1383 OG SER A 95 14.233 11.754 0.513 1.00 0.00 O ATOM 0 H SER A 95 11.396 10.532 -0.034 1.00 0.00 H new ATOM 0 HA SER A 95 11.960 12.237 -1.339 1.00 0.00 H new ATOM 0 HB2 SER A 95 14.872 11.611 -1.439 1.00 0.00 H new ATOM 0 HB3 SER A 95 14.064 13.111 -1.027 1.00 0.00 H new ATOM 0 HG SER A 95 15.088 12.130 0.810 1.00 0.00 H new ATOM 1389 N GLY A 96 13.198 11.916 -3.703 1.00 0.00 N ATOM 1390 CA GLY A 96 13.369 11.575 -5.102 1.00 0.00 C ATOM 1391 C GLY A 96 14.806 11.725 -5.565 1.00 0.00 C ATOM 1392 O GLY A 96 15.124 12.648 -6.316 1.00 0.00 O ATOM 0 H GLY A 96 13.343 12.901 -3.481 1.00 0.00 H new ATOM 0 HA2 GLY A 96 13.044 10.547 -5.265 1.00 0.00 H new ATOM 0 HA3 GLY A 96 12.727 12.213 -5.709 1.00 0.00 H new ATOM 1396 N PRO A 97 15.705 10.825 -5.132 1.00 0.00 N ATOM 1397 CA PRO A 97 17.120 10.874 -5.516 1.00 0.00 C ATOM 1398 C PRO A 97 17.334 10.523 -6.984 1.00 0.00 C ATOM 1399 O PRO A 97 16.496 9.869 -7.604 1.00 0.00 O ATOM 1400 CB PRO A 97 17.771 9.824 -4.614 1.00 0.00 C ATOM 1401 CG PRO A 97 16.673 8.870 -4.291 1.00 0.00 C ATOM 1402 CD PRO A 97 15.414 9.691 -4.235 1.00 0.00 C ATOM 0 HA PRO A 97 17.539 11.873 -5.399 1.00 0.00 H new ATOM 0 HB2 PRO A 97 18.595 9.322 -5.121 1.00 0.00 H new ATOM 0 HB3 PRO A 97 18.181 10.277 -3.711 1.00 0.00 H new ATOM 0 HG2 PRO A 97 16.597 8.091 -5.049 1.00 0.00 H new ATOM 0 HG3 PRO A 97 16.857 8.372 -3.339 1.00 0.00 H new ATOM 0 HD2 PRO A 97 14.548 9.122 -4.574 1.00 0.00 H new ATOM 0 HD3 PRO A 97 15.198 10.026 -3.221 1.00 0.00 H new ATOM 1410 N SER A 98 18.461 10.961 -7.535 1.00 0.00 N ATOM 1411 CA SER A 98 18.785 10.691 -8.930 1.00 0.00 C ATOM 1412 C SER A 98 18.927 9.193 -9.176 1.00 0.00 C ATOM 1413 O SER A 98 18.368 8.656 -10.133 1.00 0.00 O ATOM 1414 CB SER A 98 20.078 11.409 -9.323 1.00 0.00 C ATOM 1415 OG SER A 98 20.574 10.928 -10.560 1.00 0.00 O ATOM 0 H SER A 98 19.165 11.505 -7.036 1.00 0.00 H new ATOM 0 HA SER A 98 17.967 11.066 -9.546 1.00 0.00 H new ATOM 0 HB2 SER A 98 19.895 12.481 -9.393 1.00 0.00 H new ATOM 0 HB3 SER A 98 20.828 11.264 -8.546 1.00 0.00 H new ATOM 0 HG SER A 98 21.399 11.404 -10.789 1.00 0.00 H new ATOM 1421 N SER A 99 19.677 8.525 -8.308 1.00 0.00 N ATOM 1422 CA SER A 99 19.892 7.087 -8.430 1.00 0.00 C ATOM 1423 C SER A 99 20.569 6.749 -9.755 1.00 0.00 C ATOM 1424 O SER A 99 19.904 6.420 -10.737 1.00 0.00 O ATOM 1425 CB SER A 99 18.561 6.341 -8.320 1.00 0.00 C ATOM 1426 OG SER A 99 18.284 5.988 -6.976 1.00 0.00 O ATOM 0 H SER A 99 20.147 8.955 -7.512 1.00 0.00 H new ATOM 0 HA SER A 99 20.546 6.772 -7.617 1.00 0.00 H new ATOM 0 HB2 SER A 99 17.757 6.966 -8.708 1.00 0.00 H new ATOM 0 HB3 SER A 99 18.592 5.443 -8.936 1.00 0.00 H new ATOM 0 HG SER A 99 17.427 5.514 -6.932 1.00 0.00 H new ATOM 1432 N GLY A 100 21.895 6.833 -9.775 1.00 0.00 N ATOM 1433 CA GLY A 100 22.639 6.534 -10.984 1.00 0.00 C ATOM 1434 C GLY A 100 23.831 7.450 -11.174 1.00 0.00 C ATOM 1435 O GLY A 100 23.983 8.399 -10.375 1.00 0.00 O ATOM 1436 OXT GLY A 100 24.613 7.219 -12.120 1.00 0.00 O ATOM 0 H GLY A 100 22.468 7.103 -8.975 1.00 0.00 H new ATOM 0 HA2 GLY A 100 22.982 5.500 -10.949 1.00 0.00 H new ATOM 0 HA3 GLY A 100 21.977 6.622 -11.845 1.00 0.00 H new TER 1440 GLY A 100