USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=22 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -10:sc= 0.89 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -49:sc= 1.08 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 12 SER OG : rot -170:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.278 USER MOD Single : A 35 HIS : no HD1:sc= -1.37 X(o=-1.4,f=-1.4) USER MOD Single : A 36 LYS NZ :NH3+ 175:sc= -2.18 (180deg=-2.23) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0189 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.743 K(o=-0.74,f=-6.3!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN :FLIP amide:sc= -6.26! C(o=-6.8!,f=-6.3!) USER MOD Single : A 68 SER OG : rot -45:sc= 0.383 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 74 TYR OH : rot 165:sc= 0 USER MOD Single : A 77 CYS SG : rot -160:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.345 X(o=-0.35,f=0) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.0254 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 46:sc= 0.222 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0.0353 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.294 -35.259 -1.053 1.00 0.00 N ATOM 2 CA GLY A 1 19.592 -35.265 -1.780 1.00 0.00 C ATOM 3 C GLY A 1 19.694 -34.142 -2.795 1.00 0.00 C ATOM 4 O GLY A 1 20.626 -33.339 -2.751 1.00 0.00 O ATOM 0 H1 GLY A 1 18.274 -36.045 -0.372 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.185 -34.358 -0.545 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.515 -35.370 -1.733 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.407 -35.177 -1.062 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.716 -36.222 -2.287 1.00 0.00 H new ATOM 10 N SER A 2 18.732 -34.086 -3.710 1.00 0.00 N ATOM 11 CA SER A 2 18.717 -33.054 -4.740 1.00 0.00 C ATOM 12 C SER A 2 17.310 -32.864 -5.299 1.00 0.00 C ATOM 13 O SER A 2 17.135 -32.574 -6.482 1.00 0.00 O ATOM 14 CB SER A 2 19.682 -33.417 -5.870 1.00 0.00 C ATOM 15 OG SER A 2 21.016 -33.493 -5.397 1.00 0.00 O ATOM 0 H SER A 2 17.953 -34.743 -3.759 1.00 0.00 H new ATOM 0 HA SER A 2 19.038 -32.117 -4.285 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.393 -34.373 -6.307 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.616 -32.672 -6.663 1.00 0.00 H new ATOM 0 HG SER A 2 21.061 -33.135 -4.486 1.00 0.00 H new ATOM 21 N SER A 3 16.310 -33.029 -4.439 1.00 0.00 N ATOM 22 CA SER A 3 14.918 -32.875 -4.846 1.00 0.00 C ATOM 23 C SER A 3 14.219 -31.813 -4.004 1.00 0.00 C ATOM 24 O SER A 3 14.751 -31.361 -2.990 1.00 0.00 O ATOM 25 CB SER A 3 14.178 -34.208 -4.723 1.00 0.00 C ATOM 26 OG SER A 3 14.322 -34.754 -3.423 1.00 0.00 O ATOM 0 H SER A 3 16.438 -33.269 -3.456 1.00 0.00 H new ATOM 0 HA SER A 3 14.904 -32.554 -5.888 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.121 -34.062 -4.944 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.564 -34.911 -5.461 1.00 0.00 H new ATOM 0 HG SER A 3 13.838 -35.605 -3.370 1.00 0.00 H new ATOM 32 N GLY A 4 13.024 -31.417 -4.431 1.00 0.00 N ATOM 33 CA GLY A 4 12.272 -30.411 -3.705 1.00 0.00 C ATOM 34 C GLY A 4 10.784 -30.701 -3.685 1.00 0.00 C ATOM 35 O GLY A 4 10.097 -30.521 -4.690 1.00 0.00 O ATOM 0 H GLY A 4 12.563 -31.775 -5.267 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.642 -30.354 -2.681 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.443 -29.435 -4.160 1.00 0.00 H new ATOM 39 N SER A 5 10.285 -31.150 -2.538 1.00 0.00 N ATOM 40 CA SER A 5 8.869 -31.465 -2.391 1.00 0.00 C ATOM 41 C SER A 5 8.365 -31.075 -1.006 1.00 0.00 C ATOM 42 O SER A 5 7.588 -31.804 -0.388 1.00 0.00 O ATOM 43 CB SER A 5 8.629 -32.956 -2.635 1.00 0.00 C ATOM 44 OG SER A 5 7.291 -33.199 -3.035 1.00 0.00 O ATOM 0 H SER A 5 10.841 -31.304 -1.697 1.00 0.00 H new ATOM 0 HA SER A 5 8.315 -30.889 -3.133 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.313 -33.316 -3.404 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.847 -33.516 -1.726 1.00 0.00 H new ATOM 0 HG SER A 5 7.164 -34.159 -3.186 1.00 0.00 H new ATOM 50 N SER A 6 8.814 -29.921 -0.522 1.00 0.00 N ATOM 51 CA SER A 6 8.409 -29.433 0.792 1.00 0.00 C ATOM 52 C SER A 6 7.917 -27.992 0.710 1.00 0.00 C ATOM 53 O SER A 6 8.123 -27.202 1.630 1.00 0.00 O ATOM 54 CB SER A 6 9.575 -29.532 1.776 1.00 0.00 C ATOM 55 OG SER A 6 9.193 -29.083 3.065 1.00 0.00 O ATOM 0 H SER A 6 9.458 -29.307 -1.020 1.00 0.00 H new ATOM 0 HA SER A 6 7.589 -30.057 1.147 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.919 -30.565 1.834 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.413 -28.937 1.413 1.00 0.00 H new ATOM 0 HG SER A 6 8.749 -28.213 2.990 1.00 0.00 H new ATOM 61 N GLY A 7 7.265 -27.657 -0.399 1.00 0.00 N ATOM 62 CA GLY A 7 6.755 -26.310 -0.580 1.00 0.00 C ATOM 63 C GLY A 7 6.058 -26.128 -1.914 1.00 0.00 C ATOM 64 O GLY A 7 6.527 -26.623 -2.939 1.00 0.00 O ATOM 0 H GLY A 7 7.081 -28.293 -1.175 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.058 -26.077 0.225 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.578 -25.600 -0.504 1.00 0.00 H new ATOM 68 N GLN A 8 4.935 -25.418 -1.901 1.00 0.00 N ATOM 69 CA GLN A 8 4.172 -25.171 -3.120 1.00 0.00 C ATOM 70 C GLN A 8 3.711 -26.484 -3.747 1.00 0.00 C ATOM 71 O GLN A 8 3.915 -27.558 -3.183 1.00 0.00 O ATOM 72 CB GLN A 8 5.014 -24.380 -4.123 1.00 0.00 C ATOM 73 CG GLN A 8 4.775 -22.881 -4.069 1.00 0.00 C ATOM 74 CD GLN A 8 5.157 -22.183 -5.360 1.00 0.00 C ATOM 75 OE1 GLN A 8 6.173 -22.503 -5.975 1.00 0.00 O ATOM 76 NE2 GLN A 8 4.340 -21.222 -5.777 1.00 0.00 N ATOM 0 H GLN A 8 4.533 -25.003 -1.060 1.00 0.00 H new ATOM 0 HA GLN A 8 3.291 -24.586 -2.856 1.00 0.00 H new ATOM 0 HB2 GLN A 8 6.069 -24.578 -3.935 1.00 0.00 H new ATOM 0 HB3 GLN A 8 4.797 -24.738 -5.129 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.723 -22.692 -3.856 1.00 0.00 H new ATOM 0 HG3 GLN A 8 5.349 -22.455 -3.246 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.508 -20.989 -5.235 1.00 0.00 H new ATOM 0 HE22 GLN A 8 4.545 -20.717 -6.639 1.00 0.00 H new ATOM 85 N ALA A 9 3.086 -26.387 -4.916 1.00 0.00 N ATOM 86 CA ALA A 9 2.595 -27.566 -5.620 1.00 0.00 C ATOM 87 C ALA A 9 3.205 -27.665 -7.014 1.00 0.00 C ATOM 88 O ALA A 9 3.916 -28.620 -7.326 1.00 0.00 O ATOM 89 CB ALA A 9 1.078 -27.534 -5.706 1.00 0.00 C ATOM 0 H ALA A 9 2.908 -25.505 -5.395 1.00 0.00 H new ATOM 0 HA ALA A 9 2.897 -28.449 -5.056 1.00 0.00 H new ATOM 0 HB1 ALA A 9 0.725 -28.420 -6.234 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.657 -27.519 -4.701 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.763 -26.641 -6.245 1.00 0.00 H new ATOM 95 N LEU A 10 2.920 -26.671 -7.851 1.00 0.00 N ATOM 96 CA LEU A 10 3.441 -26.647 -9.213 1.00 0.00 C ATOM 97 C LEU A 10 4.796 -25.951 -9.265 1.00 0.00 C ATOM 98 O LEU A 10 5.326 -25.525 -8.239 1.00 0.00 O ATOM 99 CB LEU A 10 2.454 -25.939 -10.145 1.00 0.00 C ATOM 100 CG LEU A 10 1.309 -26.811 -10.658 1.00 0.00 C ATOM 101 CD1 LEU A 10 0.202 -26.905 -9.620 1.00 0.00 C ATOM 102 CD2 LEU A 10 0.767 -26.259 -11.969 1.00 0.00 C ATOM 0 H LEU A 10 2.332 -25.873 -7.610 1.00 0.00 H new ATOM 0 HA LEU A 10 3.570 -27.677 -9.545 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.031 -25.083 -9.619 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.003 -25.547 -11.001 1.00 0.00 H new ATOM 0 HG LEU A 10 1.694 -27.814 -10.839 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.604 -27.530 -10.004 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.598 -27.345 -8.705 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.182 -25.908 -9.407 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.048 -26.892 -12.321 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.398 -25.245 -11.812 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.562 -26.244 -12.714 1.00 0.00 H new ATOM 114 N ALA A 11 5.353 -25.839 -10.466 1.00 0.00 N ATOM 115 CA ALA A 11 6.647 -25.194 -10.652 1.00 0.00 C ATOM 116 C ALA A 11 6.480 -23.722 -11.011 1.00 0.00 C ATOM 117 O ALA A 11 6.060 -23.386 -12.118 1.00 0.00 O ATOM 118 CB ALA A 11 7.445 -25.915 -11.729 1.00 0.00 C ATOM 0 H ALA A 11 4.928 -26.187 -11.326 1.00 0.00 H new ATOM 0 HA ALA A 11 7.193 -25.251 -9.710 1.00 0.00 H new ATOM 0 HB1 ALA A 11 8.409 -25.423 -11.858 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.603 -26.952 -11.432 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.895 -25.887 -12.670 1.00 0.00 H new ATOM 124 N SER A 12 6.814 -22.848 -10.067 1.00 0.00 N ATOM 125 CA SER A 12 6.702 -21.410 -10.284 1.00 0.00 C ATOM 126 C SER A 12 8.051 -20.725 -10.099 1.00 0.00 C ATOM 127 O SER A 12 8.670 -20.824 -9.039 1.00 0.00 O ATOM 128 CB SER A 12 5.676 -20.807 -9.322 1.00 0.00 C ATOM 129 OG SER A 12 5.760 -19.392 -9.307 1.00 0.00 O ATOM 0 H SER A 12 7.164 -23.110 -9.145 1.00 0.00 H new ATOM 0 HA SER A 12 6.370 -21.248 -11.309 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.672 -21.112 -9.618 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.843 -21.195 -8.317 1.00 0.00 H new ATOM 0 HG SER A 12 5.211 -19.039 -8.576 1.00 0.00 H new ATOM 135 N ASP A 13 8.504 -20.030 -11.139 1.00 0.00 N ATOM 136 CA ASP A 13 9.782 -19.329 -11.091 1.00 0.00 C ATOM 137 C ASP A 13 9.601 -17.902 -10.581 1.00 0.00 C ATOM 138 O ASP A 13 9.959 -16.938 -11.258 1.00 0.00 O ATOM 139 CB ASP A 13 10.429 -19.313 -12.477 1.00 0.00 C ATOM 140 CG ASP A 13 11.943 -19.262 -12.407 1.00 0.00 C ATOM 141 OD1 ASP A 13 12.506 -19.716 -11.388 1.00 0.00 O ATOM 142 OD2 ASP A 13 12.566 -18.769 -13.371 1.00 0.00 O ATOM 0 H ASP A 13 8.005 -19.938 -12.024 1.00 0.00 H new ATOM 0 HA ASP A 13 10.436 -19.860 -10.400 1.00 0.00 H new ATOM 0 HB2 ASP A 13 10.123 -20.202 -13.028 1.00 0.00 H new ATOM 0 HB3 ASP A 13 10.064 -18.451 -13.035 1.00 0.00 H new ATOM 147 N SER A 14 9.041 -17.774 -9.382 1.00 0.00 N ATOM 148 CA SER A 14 8.811 -16.467 -8.781 1.00 0.00 C ATOM 149 C SER A 14 7.885 -15.622 -9.651 1.00 0.00 C ATOM 150 O SER A 14 8.109 -14.424 -9.834 1.00 0.00 O ATOM 151 CB SER A 14 10.140 -15.739 -8.572 1.00 0.00 C ATOM 152 OG SER A 14 10.111 -14.949 -7.396 1.00 0.00 O ATOM 0 H SER A 14 8.738 -18.561 -8.808 1.00 0.00 H new ATOM 0 HA SER A 14 8.331 -16.618 -7.814 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.949 -16.466 -8.505 1.00 0.00 H new ATOM 0 HB3 SER A 14 10.350 -15.106 -9.434 1.00 0.00 H new ATOM 0 HG SER A 14 10.973 -14.496 -7.285 1.00 0.00 H new ATOM 158 N GLU A 15 6.846 -16.253 -10.185 1.00 0.00 N ATOM 159 CA GLU A 15 5.885 -15.560 -11.037 1.00 0.00 C ATOM 160 C GLU A 15 4.474 -15.669 -10.467 1.00 0.00 C ATOM 161 O GLU A 15 3.490 -15.629 -11.205 1.00 0.00 O ATOM 162 CB GLU A 15 5.919 -16.134 -12.454 1.00 0.00 C ATOM 163 CG GLU A 15 7.321 -16.452 -12.948 1.00 0.00 C ATOM 164 CD GLU A 15 7.621 -15.830 -14.298 1.00 0.00 C ATOM 165 OE1 GLU A 15 7.348 -14.623 -14.470 1.00 0.00 O ATOM 166 OE2 GLU A 15 8.129 -16.550 -15.183 1.00 0.00 O ATOM 0 H GLU A 15 6.647 -17.243 -10.044 1.00 0.00 H new ATOM 0 HA GLU A 15 6.164 -14.507 -11.072 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.318 -17.043 -12.484 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.455 -15.422 -13.137 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.048 -16.095 -12.219 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.441 -17.533 -13.016 1.00 0.00 H new ATOM 173 N GLU A 16 4.384 -15.808 -9.148 1.00 0.00 N ATOM 174 CA GLU A 16 3.094 -15.923 -8.479 1.00 0.00 C ATOM 175 C GLU A 16 3.180 -15.418 -7.041 1.00 0.00 C ATOM 176 O GLU A 16 4.263 -15.109 -6.544 1.00 0.00 O ATOM 177 CB GLU A 16 2.614 -17.377 -8.497 1.00 0.00 C ATOM 178 CG GLU A 16 1.193 -17.542 -9.011 1.00 0.00 C ATOM 179 CD GLU A 16 1.052 -18.706 -9.971 1.00 0.00 C ATOM 180 OE1 GLU A 16 1.431 -19.836 -9.594 1.00 0.00 O ATOM 181 OE2 GLU A 16 0.562 -18.490 -11.100 1.00 0.00 O ATOM 0 H GLU A 16 5.189 -15.844 -8.522 1.00 0.00 H new ATOM 0 HA GLU A 16 2.376 -15.305 -9.018 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.288 -17.966 -9.120 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.676 -17.784 -7.488 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.520 -17.689 -8.166 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.882 -16.624 -9.510 1.00 0.00 H new ATOM 188 N ALA A 17 2.031 -15.338 -6.377 1.00 0.00 N ATOM 189 CA ALA A 17 1.976 -14.872 -4.997 1.00 0.00 C ATOM 190 C ALA A 17 2.499 -13.444 -4.880 1.00 0.00 C ATOM 191 O ALA A 17 3.019 -12.881 -5.843 1.00 0.00 O ATOM 192 CB ALA A 17 2.770 -15.802 -4.094 1.00 0.00 C ATOM 0 H ALA A 17 1.126 -15.590 -6.773 1.00 0.00 H new ATOM 0 HA ALA A 17 0.934 -14.877 -4.678 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.720 -15.442 -3.066 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.350 -16.807 -4.147 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.810 -15.826 -4.420 1.00 0.00 H new ATOM 198 N ASP A 18 2.357 -12.863 -3.693 1.00 0.00 N ATOM 199 CA ASP A 18 2.815 -11.500 -3.449 1.00 0.00 C ATOM 200 C ASP A 18 3.674 -11.432 -2.189 1.00 0.00 C ATOM 201 O ASP A 18 3.163 -11.516 -1.072 1.00 0.00 O ATOM 202 CB ASP A 18 1.619 -10.554 -3.318 1.00 0.00 C ATOM 203 CG ASP A 18 1.283 -9.863 -4.625 1.00 0.00 C ATOM 204 OD1 ASP A 18 0.691 -10.519 -5.509 1.00 0.00 O ATOM 205 OD2 ASP A 18 1.612 -8.666 -4.765 1.00 0.00 O ATOM 0 H ASP A 18 1.928 -13.315 -2.885 1.00 0.00 H new ATOM 0 HA ASP A 18 3.423 -11.189 -4.298 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.751 -11.116 -2.974 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.835 -9.803 -2.558 1.00 0.00 H new ATOM 210 N GLU A 19 4.981 -11.278 -2.379 1.00 0.00 N ATOM 211 CA GLU A 19 5.910 -11.197 -1.258 1.00 0.00 C ATOM 212 C GLU A 19 5.825 -9.834 -0.579 1.00 0.00 C ATOM 213 O GLU A 19 6.049 -8.801 -1.209 1.00 0.00 O ATOM 214 CB GLU A 19 7.341 -11.460 -1.736 1.00 0.00 C ATOM 215 CG GLU A 19 7.950 -12.729 -1.164 1.00 0.00 C ATOM 216 CD GLU A 19 8.748 -13.507 -2.192 1.00 0.00 C ATOM 217 OE1 GLU A 19 8.131 -14.238 -2.994 1.00 0.00 O ATOM 218 OE2 GLU A 19 9.991 -13.387 -2.193 1.00 0.00 O ATOM 0 H GLU A 19 5.420 -11.207 -3.297 1.00 0.00 H new ATOM 0 HA GLU A 19 5.633 -11.960 -0.530 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.346 -11.523 -2.824 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.968 -10.611 -1.463 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.598 -12.471 -0.326 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.156 -13.363 -0.770 1.00 0.00 H new ATOM 225 N VAL A 20 5.499 -9.839 0.710 1.00 0.00 N ATOM 226 CA VAL A 20 5.384 -8.602 1.472 1.00 0.00 C ATOM 227 C VAL A 20 6.667 -8.316 2.251 1.00 0.00 C ATOM 228 O VAL A 20 7.110 -9.140 3.052 1.00 0.00 O ATOM 229 CB VAL A 20 4.201 -8.661 2.460 1.00 0.00 C ATOM 230 CG1 VAL A 20 4.006 -7.315 3.142 1.00 0.00 C ATOM 231 CG2 VAL A 20 2.929 -9.094 1.747 1.00 0.00 C ATOM 0 H VAL A 20 5.310 -10.685 1.247 1.00 0.00 H new ATOM 0 HA VAL A 20 5.210 -7.801 0.754 1.00 0.00 H new ATOM 0 HB VAL A 20 4.430 -9.401 3.227 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.167 -7.376 3.835 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.910 -7.050 3.690 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.801 -6.553 2.390 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.106 -9.130 2.461 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.694 -8.381 0.957 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.075 -10.083 1.311 1.00 0.00 H new ATOM 241 N PRO A 21 7.287 -7.142 2.029 1.00 0.00 N ATOM 242 CA PRO A 21 8.525 -6.762 2.719 1.00 0.00 C ATOM 243 C PRO A 21 8.308 -6.540 4.212 1.00 0.00 C ATOM 244 O PRO A 21 7.263 -6.896 4.758 1.00 0.00 O ATOM 245 CB PRO A 21 8.932 -5.453 2.038 1.00 0.00 C ATOM 246 CG PRO A 21 7.665 -4.905 1.477 1.00 0.00 C ATOM 247 CD PRO A 21 6.834 -6.096 1.093 1.00 0.00 C ATOM 0 HA PRO A 21 9.283 -7.543 2.652 1.00 0.00 H new ATOM 0 HB2 PRO A 21 9.382 -4.760 2.749 1.00 0.00 H new ATOM 0 HB3 PRO A 21 9.669 -5.628 1.254 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.147 -4.288 2.212 1.00 0.00 H new ATOM 0 HG3 PRO A 21 7.863 -4.272 0.612 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.768 -5.894 1.200 1.00 0.00 H new ATOM 0 HD3 PRO A 21 7.001 -6.385 0.055 1.00 0.00 H new ATOM 255 N GLU A 22 9.301 -5.949 4.869 1.00 0.00 N ATOM 256 CA GLU A 22 9.219 -5.681 6.299 1.00 0.00 C ATOM 257 C GLU A 22 8.766 -4.248 6.561 1.00 0.00 C ATOM 258 O GLU A 22 7.968 -3.994 7.464 1.00 0.00 O ATOM 259 CB GLU A 22 10.574 -5.929 6.966 1.00 0.00 C ATOM 260 CG GLU A 22 10.800 -7.379 7.361 1.00 0.00 C ATOM 261 CD GLU A 22 12.209 -7.632 7.862 1.00 0.00 C ATOM 262 OE1 GLU A 22 13.149 -7.589 7.040 1.00 0.00 O ATOM 263 OE2 GLU A 22 12.373 -7.874 9.076 1.00 0.00 O ATOM 0 H GLU A 22 10.172 -5.647 4.433 1.00 0.00 H new ATOM 0 HA GLU A 22 8.481 -6.360 6.727 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.367 -5.618 6.286 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.653 -5.302 7.854 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.087 -7.656 8.137 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.602 -8.021 6.503 1.00 0.00 H new ATOM 270 N TRP A 23 9.281 -3.315 5.767 1.00 0.00 N ATOM 271 CA TRP A 23 8.930 -1.907 5.915 1.00 0.00 C ATOM 272 C TRP A 23 7.440 -1.687 5.672 1.00 0.00 C ATOM 273 O TRP A 23 6.833 -0.787 6.252 1.00 0.00 O ATOM 274 CB TRP A 23 9.749 -1.050 4.946 1.00 0.00 C ATOM 275 CG TRP A 23 9.659 -1.510 3.524 1.00 0.00 C ATOM 276 CD1 TRP A 23 10.585 -2.242 2.839 1.00 0.00 C ATOM 277 CD2 TRP A 23 8.583 -1.268 2.610 1.00 0.00 C ATOM 278 NE1 TRP A 23 10.152 -2.469 1.554 1.00 0.00 N ATOM 279 CE2 TRP A 23 8.925 -1.882 1.390 1.00 0.00 C ATOM 280 CE3 TRP A 23 7.362 -0.593 2.705 1.00 0.00 C ATOM 281 CZ2 TRP A 23 8.091 -1.839 0.275 1.00 0.00 C ATOM 282 CZ3 TRP A 23 6.536 -0.551 1.598 1.00 0.00 C ATOM 283 CH2 TRP A 23 6.904 -1.171 0.397 1.00 0.00 C ATOM 0 H TRP A 23 9.942 -3.508 5.015 1.00 0.00 H new ATOM 0 HA TRP A 23 9.160 -1.608 6.938 1.00 0.00 H new ATOM 0 HB2 TRP A 23 9.407 -0.017 5.008 1.00 0.00 H new ATOM 0 HB3 TRP A 23 10.793 -1.059 5.258 1.00 0.00 H new ATOM 0 HD1 TRP A 23 11.522 -2.592 3.247 1.00 0.00 H new ATOM 0 HE1 TRP A 23 10.661 -2.989 0.840 1.00 0.00 H new ATOM 0 HE3 TRP A 23 7.070 -0.113 3.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 8.372 -2.316 -0.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 5.591 -0.032 1.660 1.00 0.00 H new ATOM 0 HH2 TRP A 23 6.236 -1.120 -0.450 1.00 0.00 H new ATOM 294 N LEU A 24 6.857 -2.514 4.811 1.00 0.00 N ATOM 295 CA LEU A 24 5.437 -2.409 4.492 1.00 0.00 C ATOM 296 C LEU A 24 4.579 -2.837 5.678 1.00 0.00 C ATOM 297 O LEU A 24 4.562 -4.009 6.053 1.00 0.00 O ATOM 298 CB LEU A 24 5.101 -3.266 3.270 1.00 0.00 C ATOM 299 CG LEU A 24 3.640 -3.209 2.820 1.00 0.00 C ATOM 300 CD1 LEU A 24 3.322 -1.851 2.213 1.00 0.00 C ATOM 301 CD2 LEU A 24 3.345 -4.322 1.827 1.00 0.00 C ATOM 0 H LEU A 24 7.345 -3.264 4.322 1.00 0.00 H new ATOM 0 HA LEU A 24 5.219 -1.365 4.266 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.733 -2.951 2.440 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.357 -4.302 3.491 1.00 0.00 H new ATOM 0 HG LEU A 24 3.004 -3.351 3.694 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.279 -1.828 1.898 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.494 -1.071 2.955 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.965 -1.679 1.350 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.301 -4.266 1.518 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.989 -4.211 0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.533 -5.288 2.296 1.00 0.00 H new ATOM 313 N ARG A 25 3.868 -1.879 6.264 1.00 0.00 N ATOM 314 CA ARG A 25 3.008 -2.157 7.409 1.00 0.00 C ATOM 315 C ARG A 25 2.123 -0.958 7.728 1.00 0.00 C ATOM 316 O ARG A 25 2.424 0.170 7.337 1.00 0.00 O ATOM 317 CB ARG A 25 3.852 -2.522 8.631 1.00 0.00 C ATOM 318 CG ARG A 25 4.826 -1.432 9.045 1.00 0.00 C ATOM 319 CD ARG A 25 4.891 -1.284 10.557 1.00 0.00 C ATOM 320 NE ARG A 25 5.279 0.065 10.959 1.00 0.00 N ATOM 321 CZ ARG A 25 5.681 0.385 12.187 1.00 0.00 C ATOM 322 NH1 ARG A 25 5.750 -0.542 13.133 1.00 0.00 N ATOM 323 NH2 ARG A 25 6.015 1.637 12.469 1.00 0.00 N ATOM 0 H ARG A 25 3.870 -0.904 5.965 1.00 0.00 H new ATOM 0 HA ARG A 25 2.367 -3.001 7.154 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.189 -2.742 9.468 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.410 -3.434 8.418 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.818 -1.664 8.659 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.524 -0.485 8.599 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.919 -1.525 10.987 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.605 -2.002 10.961 1.00 0.00 H new ATOM 0 HE ARG A 25 5.240 0.805 10.258 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.494 -1.507 12.922 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.059 -0.290 14.072 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.964 2.354 11.745 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.323 1.883 13.410 1.00 0.00 H new ATOM 337 N GLU A 26 1.029 -1.208 8.441 1.00 0.00 N ATOM 338 CA GLU A 26 0.099 -0.148 8.814 1.00 0.00 C ATOM 339 C GLU A 26 0.808 0.948 9.602 1.00 0.00 C ATOM 340 O GLU A 26 1.424 0.687 10.634 1.00 0.00 O ATOM 341 CB GLU A 26 -1.054 -0.722 9.640 1.00 0.00 C ATOM 342 CG GLU A 26 -1.794 -1.856 8.947 1.00 0.00 C ATOM 343 CD GLU A 26 -1.761 -3.147 9.741 1.00 0.00 C ATOM 344 OE1 GLU A 26 -0.650 -3.615 10.069 1.00 0.00 O ATOM 345 OE2 GLU A 26 -2.847 -3.690 10.037 1.00 0.00 O ATOM 0 H GLU A 26 0.765 -2.136 8.772 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.300 0.290 7.899 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.664 -1.082 10.592 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.760 0.077 9.867 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.831 -1.561 8.783 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.352 -2.027 7.965 1.00 0.00 H new ATOM 352 N GLY A 27 0.717 2.178 9.106 1.00 0.00 N ATOM 353 CA GLY A 27 1.355 3.296 9.774 1.00 0.00 C ATOM 354 C GLY A 27 2.733 3.595 9.216 1.00 0.00 C ATOM 355 O GLY A 27 3.610 4.075 9.933 1.00 0.00 O ATOM 0 H GLY A 27 0.212 2.420 8.253 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.726 4.181 9.675 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.437 3.080 10.839 1.00 0.00 H new ATOM 359 N GLU A 28 2.922 3.311 7.931 1.00 0.00 N ATOM 360 CA GLU A 28 4.202 3.552 7.275 1.00 0.00 C ATOM 361 C GLU A 28 4.010 4.310 5.966 1.00 0.00 C ATOM 362 O GLU A 28 3.112 4.001 5.184 1.00 0.00 O ATOM 363 CB GLU A 28 4.920 2.227 7.011 1.00 0.00 C ATOM 364 CG GLU A 28 6.421 2.294 7.233 1.00 0.00 C ATOM 365 CD GLU A 28 6.784 2.734 8.638 1.00 0.00 C ATOM 366 OE1 GLU A 28 6.081 2.328 9.587 1.00 0.00 O ATOM 367 OE2 GLU A 28 7.771 3.485 8.789 1.00 0.00 O ATOM 0 H GLU A 28 2.205 2.914 7.324 1.00 0.00 H new ATOM 0 HA GLU A 28 4.813 4.163 7.940 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.499 1.460 7.661 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.727 1.917 5.984 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.857 1.314 7.039 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.860 2.986 6.515 1.00 0.00 H new ATOM 374 N PHE A 29 4.860 5.306 5.734 1.00 0.00 N ATOM 375 CA PHE A 29 4.785 6.109 4.520 1.00 0.00 C ATOM 376 C PHE A 29 5.260 5.309 3.310 1.00 0.00 C ATOM 377 O PHE A 29 6.281 4.625 3.368 1.00 0.00 O ATOM 378 CB PHE A 29 5.627 7.377 4.671 1.00 0.00 C ATOM 379 CG PHE A 29 4.844 8.564 5.153 1.00 0.00 C ATOM 380 CD1 PHE A 29 3.778 9.055 4.414 1.00 0.00 C ATOM 381 CD2 PHE A 29 5.172 9.190 6.345 1.00 0.00 C ATOM 382 CE1 PHE A 29 3.055 10.147 4.856 1.00 0.00 C ATOM 383 CE2 PHE A 29 4.453 10.282 6.792 1.00 0.00 C ATOM 384 CZ PHE A 29 3.394 10.762 6.046 1.00 0.00 C ATOM 0 H PHE A 29 5.609 5.576 6.372 1.00 0.00 H new ATOM 0 HA PHE A 29 3.744 6.390 4.362 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.441 7.182 5.369 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.082 7.618 3.710 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.510 8.579 3.483 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.000 8.820 6.932 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.226 10.519 4.272 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.719 10.760 7.723 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.832 11.617 6.392 1.00 0.00 H new ATOM 394 N VAL A 30 4.513 5.403 2.215 1.00 0.00 N ATOM 395 CA VAL A 30 4.858 4.689 0.991 1.00 0.00 C ATOM 396 C VAL A 30 4.403 5.461 -0.242 1.00 0.00 C ATOM 397 O VAL A 30 3.758 6.503 -0.131 1.00 0.00 O ATOM 398 CB VAL A 30 4.228 3.285 0.963 1.00 0.00 C ATOM 399 CG1 VAL A 30 4.845 2.399 2.035 1.00 0.00 C ATOM 400 CG2 VAL A 30 2.720 3.372 1.137 1.00 0.00 C ATOM 0 H VAL A 30 3.665 5.966 2.150 1.00 0.00 H new ATOM 0 HA VAL A 30 5.944 4.593 0.977 1.00 0.00 H new ATOM 0 HB VAL A 30 4.433 2.836 -0.009 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.386 1.411 1.999 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.917 2.308 1.859 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.675 2.842 3.016 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.293 2.369 1.114 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.491 3.843 2.093 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.294 3.966 0.328 1.00 0.00 H new ATOM 410 N THR A 31 4.744 4.943 -1.417 1.00 0.00 N ATOM 411 CA THR A 31 4.370 5.584 -2.672 1.00 0.00 C ATOM 412 C THR A 31 4.111 4.543 -3.758 1.00 0.00 C ATOM 413 O THR A 31 4.331 3.350 -3.553 1.00 0.00 O ATOM 414 CB THR A 31 5.468 6.548 -3.125 1.00 0.00 C ATOM 415 OG1 THR A 31 5.085 7.224 -4.309 1.00 0.00 O ATOM 416 CG2 THR A 31 6.790 5.864 -3.395 1.00 0.00 C ATOM 0 H THR A 31 5.279 4.081 -1.526 1.00 0.00 H new ATOM 0 HA THR A 31 3.451 6.145 -2.504 1.00 0.00 H new ATOM 0 HB THR A 31 5.600 7.245 -2.297 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.800 7.837 -4.581 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.525 6.604 -3.712 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.138 5.374 -2.486 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.661 5.121 -4.182 1.00 0.00 H new ATOM 424 N VAL A 32 3.644 5.005 -4.914 1.00 0.00 N ATOM 425 CA VAL A 32 3.356 4.115 -6.031 1.00 0.00 C ATOM 426 C VAL A 32 3.762 4.751 -7.356 1.00 0.00 C ATOM 427 O VAL A 32 3.678 5.968 -7.524 1.00 0.00 O ATOM 428 CB VAL A 32 1.861 3.748 -6.089 1.00 0.00 C ATOM 429 CG1 VAL A 32 1.622 2.632 -7.095 1.00 0.00 C ATOM 430 CG2 VAL A 32 1.355 3.348 -4.711 1.00 0.00 C ATOM 0 H VAL A 32 3.457 5.990 -5.101 1.00 0.00 H new ATOM 0 HA VAL A 32 3.938 3.208 -5.870 1.00 0.00 H new ATOM 0 HB VAL A 32 1.304 4.626 -6.416 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.560 2.387 -7.121 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.944 2.959 -8.084 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.191 1.750 -6.801 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.297 3.092 -4.772 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.917 2.485 -4.353 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.488 4.180 -4.019 1.00 0.00 H new ATOM 440 N GLY A 33 4.202 3.921 -8.296 1.00 0.00 N ATOM 441 CA GLY A 33 4.613 4.421 -9.595 1.00 0.00 C ATOM 442 C GLY A 33 3.509 4.330 -10.628 1.00 0.00 C ATOM 443 O GLY A 33 3.777 4.212 -11.824 1.00 0.00 O ATOM 0 H GLY A 33 4.281 2.911 -8.181 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.930 5.459 -9.497 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.478 3.855 -9.941 1.00 0.00 H new ATOM 447 N ALA A 34 2.264 4.385 -10.168 1.00 0.00 N ATOM 448 CA ALA A 34 1.114 4.308 -11.062 1.00 0.00 C ATOM 449 C ALA A 34 -0.177 4.655 -10.329 1.00 0.00 C ATOM 450 O ALA A 34 -1.238 4.106 -10.627 1.00 0.00 O ATOM 451 CB ALA A 34 1.018 2.920 -11.677 1.00 0.00 C ATOM 0 H ALA A 34 2.025 4.483 -9.181 1.00 0.00 H new ATOM 0 HA ALA A 34 1.254 5.038 -11.859 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.156 2.876 -12.342 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.925 2.710 -12.244 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.905 2.179 -10.886 1.00 0.00 H new ATOM 457 N HIS A 35 -0.080 5.569 -9.369 1.00 0.00 N ATOM 458 CA HIS A 35 -1.242 5.988 -8.594 1.00 0.00 C ATOM 459 C HIS A 35 -0.977 7.318 -7.892 1.00 0.00 C ATOM 460 O HIS A 35 -1.394 8.375 -8.368 1.00 0.00 O ATOM 461 CB HIS A 35 -1.611 4.916 -7.566 1.00 0.00 C ATOM 462 CG HIS A 35 -2.456 3.815 -8.125 1.00 0.00 C ATOM 463 ND1 HIS A 35 -3.594 4.024 -8.874 1.00 0.00 N ATOM 464 CD2 HIS A 35 -2.312 2.469 -8.033 1.00 0.00 C ATOM 465 CE1 HIS A 35 -4.094 2.827 -9.204 1.00 0.00 C ATOM 466 NE2 HIS A 35 -3.353 1.849 -8.719 1.00 0.00 N ATOM 0 H HIS A 35 0.790 6.033 -9.109 1.00 0.00 H new ATOM 0 HA HIS A 35 -2.077 6.122 -9.281 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -0.696 4.488 -7.156 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.142 5.386 -6.738 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -1.516 1.959 -7.510 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -4.988 2.681 -9.791 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -3.510 0.847 -8.825 1.00 0.00 H new ATOM 474 N LYS A 36 -0.282 7.260 -6.759 1.00 0.00 N ATOM 475 CA LYS A 36 0.039 8.460 -5.993 1.00 0.00 C ATOM 476 C LYS A 36 0.764 8.097 -4.700 1.00 0.00 C ATOM 477 O LYS A 36 1.204 6.961 -4.521 1.00 0.00 O ATOM 478 CB LYS A 36 -1.235 9.250 -5.676 1.00 0.00 C ATOM 479 CG LYS A 36 -1.181 10.699 -6.131 1.00 0.00 C ATOM 480 CD LYS A 36 -1.623 11.650 -5.029 1.00 0.00 C ATOM 481 CE LYS A 36 -3.123 11.569 -4.789 1.00 0.00 C ATOM 482 NZ LYS A 36 -3.446 11.428 -3.343 1.00 0.00 N ATOM 0 H LYS A 36 0.070 6.394 -6.351 1.00 0.00 H new ATOM 0 HA LYS A 36 0.698 9.083 -6.598 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.084 8.760 -6.152 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.412 9.222 -4.601 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.165 10.946 -6.440 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.820 10.831 -7.004 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.093 11.411 -4.107 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.351 12.671 -5.298 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.603 12.465 -5.183 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.533 10.721 -5.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.477 11.461 -3.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.082 10.519 -2.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.005 12.205 -2.811 1.00 0.00 H new ATOM 496 N THR A 37 0.884 9.067 -3.800 1.00 0.00 N ATOM 497 CA THR A 37 1.555 8.846 -2.523 1.00 0.00 C ATOM 498 C THR A 37 0.540 8.737 -1.389 1.00 0.00 C ATOM 499 O THR A 37 -0.404 9.524 -1.309 1.00 0.00 O ATOM 500 CB THR A 37 2.538 9.982 -2.237 1.00 0.00 C ATOM 501 OG1 THR A 37 2.035 11.216 -2.720 1.00 0.00 O ATOM 502 CG2 THR A 37 3.900 9.766 -2.859 1.00 0.00 C ATOM 0 H THR A 37 0.526 10.013 -3.930 1.00 0.00 H new ATOM 0 HA THR A 37 2.105 7.907 -2.586 1.00 0.00 H new ATOM 0 HB THR A 37 2.650 9.999 -1.153 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.678 11.930 -2.526 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.548 10.608 -2.617 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.337 8.848 -2.467 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.797 9.686 -3.941 1.00 0.00 H new ATOM 510 N GLY A 38 0.741 7.757 -0.515 1.00 0.00 N ATOM 511 CA GLY A 38 -0.165 7.564 0.602 1.00 0.00 C ATOM 512 C GLY A 38 0.414 6.656 1.669 1.00 0.00 C ATOM 513 O GLY A 38 1.362 5.913 1.415 1.00 0.00 O ATOM 0 H GLY A 38 1.514 7.093 -0.560 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.404 8.532 1.043 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.101 7.140 0.238 1.00 0.00 H new ATOM 517 N VAL A 39 -0.157 6.715 2.867 1.00 0.00 N ATOM 518 CA VAL A 39 0.306 5.894 3.978 1.00 0.00 C ATOM 519 C VAL A 39 -0.426 4.557 4.016 1.00 0.00 C ATOM 520 O VAL A 39 -1.537 4.431 3.501 1.00 0.00 O ATOM 521 CB VAL A 39 0.111 6.610 5.327 1.00 0.00 C ATOM 522 CG1 VAL A 39 0.767 5.823 6.451 1.00 0.00 C ATOM 523 CG2 VAL A 39 0.663 8.025 5.266 1.00 0.00 C ATOM 0 H VAL A 39 -0.943 7.325 3.093 1.00 0.00 H new ATOM 0 HA VAL A 39 1.370 5.719 3.819 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.958 6.670 5.533 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.618 6.345 7.396 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.319 4.831 6.510 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.835 5.728 6.253 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.516 8.515 6.229 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.728 7.991 5.035 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.142 8.586 4.490 1.00 0.00 H new ATOM 533 N VAL A 40 0.204 3.559 4.629 1.00 0.00 N ATOM 534 CA VAL A 40 -0.390 2.231 4.735 1.00 0.00 C ATOM 535 C VAL A 40 -1.340 2.149 5.925 1.00 0.00 C ATOM 536 O VAL A 40 -0.945 2.389 7.065 1.00 0.00 O ATOM 537 CB VAL A 40 0.689 1.143 4.879 1.00 0.00 C ATOM 538 CG1 VAL A 40 0.069 -0.243 4.787 1.00 0.00 C ATOM 539 CG2 VAL A 40 1.773 1.322 3.826 1.00 0.00 C ATOM 0 H VAL A 40 1.125 3.645 5.059 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.948 2.059 3.814 1.00 0.00 H new ATOM 0 HB VAL A 40 1.149 1.244 5.862 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.848 -0.998 4.891 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.665 -0.367 5.583 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.421 -0.359 3.820 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.527 0.544 3.944 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.330 1.251 2.832 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.239 2.300 3.946 1.00 0.00 H new ATOM 549 N ARG A 41 -2.595 1.808 5.651 1.00 0.00 N ATOM 550 CA ARG A 41 -3.602 1.695 6.699 1.00 0.00 C ATOM 551 C ARG A 41 -4.032 0.244 6.890 1.00 0.00 C ATOM 552 O ARG A 41 -4.379 -0.171 7.996 1.00 0.00 O ATOM 553 CB ARG A 41 -4.819 2.560 6.362 1.00 0.00 C ATOM 554 CG ARG A 41 -4.499 4.042 6.260 1.00 0.00 C ATOM 555 CD ARG A 41 -4.120 4.625 7.611 1.00 0.00 C ATOM 556 NE ARG A 41 -5.271 4.738 8.502 1.00 0.00 N ATOM 557 CZ ARG A 41 -6.166 5.722 8.436 1.00 0.00 C ATOM 558 NH1 ARG A 41 -6.046 6.679 7.525 1.00 0.00 N ATOM 559 NH2 ARG A 41 -7.186 5.747 9.284 1.00 0.00 N ATOM 0 H ARG A 41 -2.939 1.605 4.712 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.160 2.048 7.631 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.245 2.222 5.417 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.582 2.413 7.126 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.680 4.191 5.556 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.362 4.575 5.862 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.362 3.996 8.077 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.674 5.609 7.469 1.00 0.00 H new ATOM 0 HE ARG A 41 -5.397 4.021 9.217 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.265 6.664 6.870 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.735 7.430 7.480 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.284 5.013 9.986 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -7.872 6.500 9.234 1.00 0.00 H new ATOM 573 N TYR A 42 -4.007 -0.524 5.805 1.00 0.00 N ATOM 574 CA TYR A 42 -4.394 -1.930 5.856 1.00 0.00 C ATOM 575 C TYR A 42 -3.415 -2.792 5.066 1.00 0.00 C ATOM 576 O TYR A 42 -2.852 -2.352 4.064 1.00 0.00 O ATOM 577 CB TYR A 42 -5.810 -2.112 5.307 1.00 0.00 C ATOM 578 CG TYR A 42 -6.370 -3.499 5.529 1.00 0.00 C ATOM 579 CD1 TYR A 42 -6.147 -4.513 4.607 1.00 0.00 C ATOM 580 CD2 TYR A 42 -7.120 -3.794 6.659 1.00 0.00 C ATOM 581 CE1 TYR A 42 -6.657 -5.783 4.805 1.00 0.00 C ATOM 582 CE2 TYR A 42 -7.633 -5.060 6.865 1.00 0.00 C ATOM 583 CZ TYR A 42 -7.398 -6.051 5.935 1.00 0.00 C ATOM 584 OH TYR A 42 -7.906 -7.313 6.138 1.00 0.00 O ATOM 0 H TYR A 42 -3.723 -0.197 4.881 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.373 -2.249 6.898 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -6.470 -1.383 5.777 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -5.807 -1.897 4.238 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -5.566 -4.306 3.721 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -7.306 -3.021 7.390 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -6.475 -6.561 4.078 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -8.215 -5.273 7.750 1.00 0.00 H new ATOM 0 HH TYR A 42 -8.403 -7.334 6.982 1.00 0.00 H new ATOM 594 N VAL A 43 -3.216 -4.024 5.526 1.00 0.00 N ATOM 595 CA VAL A 43 -2.305 -4.950 4.863 1.00 0.00 C ATOM 596 C VAL A 43 -2.744 -6.395 5.069 1.00 0.00 C ATOM 597 O VAL A 43 -2.703 -6.913 6.185 1.00 0.00 O ATOM 598 CB VAL A 43 -0.863 -4.784 5.379 1.00 0.00 C ATOM 599 CG1 VAL A 43 0.103 -5.608 4.542 1.00 0.00 C ATOM 600 CG2 VAL A 43 -0.461 -3.317 5.382 1.00 0.00 C ATOM 0 H VAL A 43 -3.673 -4.403 6.355 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.332 -4.714 3.799 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.821 -5.150 6.405 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.116 -5.478 4.922 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.173 -6.661 4.599 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.059 -5.277 3.504 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.561 -3.220 5.750 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.521 -2.921 4.368 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.134 -2.757 6.030 1.00 0.00 H new ATOM 610 N GLY A 44 -3.164 -7.042 3.986 1.00 0.00 N ATOM 611 CA GLY A 44 -3.603 -8.422 4.071 1.00 0.00 C ATOM 612 C GLY A 44 -4.503 -8.819 2.916 1.00 0.00 C ATOM 613 O GLY A 44 -4.822 -7.990 2.064 1.00 0.00 O ATOM 0 H GLY A 44 -3.208 -6.635 3.052 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -2.731 -9.076 4.089 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.135 -8.573 5.010 1.00 0.00 H new ATOM 617 N PRO A 45 -4.930 -10.092 2.858 1.00 0.00 N ATOM 618 CA PRO A 45 -5.802 -10.585 1.787 1.00 0.00 C ATOM 619 C PRO A 45 -7.213 -10.014 1.879 1.00 0.00 C ATOM 620 O PRO A 45 -7.465 -9.078 2.638 1.00 0.00 O ATOM 621 CB PRO A 45 -5.823 -12.098 2.013 1.00 0.00 C ATOM 622 CG PRO A 45 -5.530 -12.268 3.463 1.00 0.00 C ATOM 623 CD PRO A 45 -4.597 -11.149 3.832 1.00 0.00 C ATOM 0 HA PRO A 45 -5.440 -10.293 0.801 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.792 -12.524 1.752 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -5.078 -12.601 1.397 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -6.445 -12.224 4.054 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.072 -13.238 3.657 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.756 -10.815 4.857 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -3.553 -11.453 3.754 1.00 0.00 H new ATOM 631 N ALA A 46 -8.128 -10.582 1.102 1.00 0.00 N ATOM 632 CA ALA A 46 -9.514 -10.128 1.096 1.00 0.00 C ATOM 633 C ALA A 46 -10.476 -11.303 1.228 1.00 0.00 C ATOM 634 O ALA A 46 -10.055 -12.450 1.387 1.00 0.00 O ATOM 635 CB ALA A 46 -9.806 -9.345 -0.175 1.00 0.00 C ATOM 0 H ALA A 46 -7.935 -11.358 0.468 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.661 -9.474 1.955 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.844 -9.012 -0.167 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.147 -8.478 -0.228 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.637 -9.983 -1.042 1.00 0.00 H new ATOM 641 N ASP A 47 -11.771 -11.012 1.158 1.00 0.00 N ATOM 642 CA ASP A 47 -12.794 -12.045 1.269 1.00 0.00 C ATOM 643 C ASP A 47 -13.488 -12.269 -0.070 1.00 0.00 C ATOM 644 O ASP A 47 -14.668 -12.618 -0.120 1.00 0.00 O ATOM 645 CB ASP A 47 -13.825 -11.659 2.332 1.00 0.00 C ATOM 646 CG ASP A 47 -14.447 -12.869 3.001 1.00 0.00 C ATOM 647 OD1 ASP A 47 -13.705 -13.638 3.645 1.00 0.00 O ATOM 648 OD2 ASP A 47 -15.677 -13.048 2.878 1.00 0.00 O ATOM 0 H ASP A 47 -12.137 -10.069 1.025 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.306 -12.974 1.565 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -13.348 -11.035 3.088 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -14.610 -11.058 1.872 1.00 0.00 H new ATOM 653 N PHE A 48 -12.748 -12.068 -1.155 1.00 0.00 N ATOM 654 CA PHE A 48 -13.291 -12.247 -2.497 1.00 0.00 C ATOM 655 C PHE A 48 -12.195 -12.654 -3.476 1.00 0.00 C ATOM 656 O PHE A 48 -12.366 -13.586 -4.262 1.00 0.00 O ATOM 657 CB PHE A 48 -13.967 -10.961 -2.974 1.00 0.00 C ATOM 658 CG PHE A 48 -13.094 -9.744 -2.859 1.00 0.00 C ATOM 659 CD1 PHE A 48 -12.254 -9.377 -3.897 1.00 0.00 C ATOM 660 CD2 PHE A 48 -13.113 -8.968 -1.711 1.00 0.00 C ATOM 661 CE1 PHE A 48 -11.449 -8.258 -3.795 1.00 0.00 C ATOM 662 CE2 PHE A 48 -12.311 -7.849 -1.602 1.00 0.00 C ATOM 663 CZ PHE A 48 -11.477 -7.493 -2.645 1.00 0.00 C ATOM 0 H PHE A 48 -11.770 -11.781 -1.131 1.00 0.00 H new ATOM 0 HA PHE A 48 -14.033 -13.044 -2.458 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -14.270 -11.084 -4.014 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -14.876 -10.802 -2.394 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -12.228 -9.973 -4.798 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -13.762 -9.241 -0.892 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -10.799 -7.982 -4.613 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -12.336 -7.252 -0.702 1.00 0.00 H new ATOM 0 HZ PHE A 48 -10.849 -6.619 -2.561 1.00 0.00 H new ATOM 673 N GLN A 49 -11.071 -11.948 -3.424 1.00 0.00 N ATOM 674 CA GLN A 49 -9.946 -12.236 -4.307 1.00 0.00 C ATOM 675 C GLN A 49 -8.822 -12.931 -3.546 1.00 0.00 C ATOM 676 O GLN A 49 -8.815 -12.959 -2.315 1.00 0.00 O ATOM 677 CB GLN A 49 -9.429 -10.944 -4.944 1.00 0.00 C ATOM 678 CG GLN A 49 -9.871 -10.760 -6.387 1.00 0.00 C ATOM 679 CD GLN A 49 -9.216 -11.750 -7.328 1.00 0.00 C ATOM 680 OE1 GLN A 49 -9.085 -12.933 -7.011 1.00 0.00 O ATOM 681 NE2 GLN A 49 -8.799 -11.272 -8.495 1.00 0.00 N ATOM 0 H GLN A 49 -10.914 -11.172 -2.780 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.293 -12.906 -5.094 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -9.775 -10.094 -4.355 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.340 -10.938 -4.902 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -10.954 -10.868 -6.448 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.633 -9.746 -6.709 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -8.928 -10.285 -8.717 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.350 -11.892 -9.169 1.00 0.00 H new ATOM 690 N GLU A 50 -7.871 -13.491 -4.287 1.00 0.00 N ATOM 691 CA GLU A 50 -6.741 -14.187 -3.684 1.00 0.00 C ATOM 692 C GLU A 50 -5.485 -13.321 -3.722 1.00 0.00 C ATOM 693 O GLU A 50 -5.291 -12.534 -4.649 1.00 0.00 O ATOM 694 CB GLU A 50 -6.484 -15.510 -4.408 1.00 0.00 C ATOM 695 CG GLU A 50 -7.262 -16.681 -3.829 1.00 0.00 C ATOM 696 CD GLU A 50 -8.019 -17.459 -4.886 1.00 0.00 C ATOM 697 OE1 GLU A 50 -7.380 -17.926 -5.852 1.00 0.00 O ATOM 698 OE2 GLU A 50 -9.252 -17.602 -4.749 1.00 0.00 O ATOM 0 H GLU A 50 -7.861 -13.476 -5.307 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.988 -14.393 -2.642 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.745 -15.396 -5.460 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.419 -15.736 -4.367 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.573 -17.351 -3.314 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.965 -16.311 -3.082 1.00 0.00 H new ATOM 705 N GLY A 51 -4.638 -13.472 -2.709 1.00 0.00 N ATOM 706 CA GLY A 51 -3.411 -12.698 -2.648 1.00 0.00 C ATOM 707 C GLY A 51 -3.412 -11.699 -1.507 1.00 0.00 C ATOM 708 O GLY A 51 -4.325 -11.691 -0.681 1.00 0.00 O ATOM 0 H GLY A 51 -4.779 -14.115 -1.930 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.564 -13.374 -2.534 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.272 -12.168 -3.590 1.00 0.00 H new ATOM 712 N THR A 52 -2.386 -10.857 -1.461 1.00 0.00 N ATOM 713 CA THR A 52 -2.270 -9.849 -0.412 1.00 0.00 C ATOM 714 C THR A 52 -2.575 -8.459 -0.958 1.00 0.00 C ATOM 715 O THR A 52 -2.164 -8.111 -2.065 1.00 0.00 O ATOM 716 CB THR A 52 -0.868 -9.874 0.197 1.00 0.00 C ATOM 717 OG1 THR A 52 -0.426 -11.206 0.384 1.00 0.00 O ATOM 718 CG2 THR A 52 -0.783 -9.170 1.534 1.00 0.00 C ATOM 0 H THR A 52 -1.622 -10.852 -2.137 1.00 0.00 H new ATOM 0 HA THR A 52 -2.999 -10.083 0.364 1.00 0.00 H new ATOM 0 HB THR A 52 -0.235 -9.344 -0.515 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.474 -11.201 0.773 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.239 -9.225 1.910 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.070 -8.125 1.414 1.00 0.00 H new ATOM 0 HG23 THR A 52 -1.457 -9.652 2.242 1.00 0.00 H new ATOM 726 N TRP A 53 -3.300 -7.667 -0.175 1.00 0.00 N ATOM 727 CA TRP A 53 -3.661 -6.313 -0.580 1.00 0.00 C ATOM 728 C TRP A 53 -3.176 -5.291 0.443 1.00 0.00 C ATOM 729 O TRP A 53 -2.883 -5.635 1.587 1.00 0.00 O ATOM 730 CB TRP A 53 -5.177 -6.198 -0.753 1.00 0.00 C ATOM 731 CG TRP A 53 -5.716 -7.061 -1.853 1.00 0.00 C ATOM 732 CD1 TRP A 53 -6.184 -8.339 -1.737 1.00 0.00 C ATOM 733 CD2 TRP A 53 -5.839 -6.712 -3.236 1.00 0.00 C ATOM 734 NE1 TRP A 53 -6.592 -8.804 -2.964 1.00 0.00 N ATOM 735 CE2 TRP A 53 -6.390 -7.825 -3.900 1.00 0.00 C ATOM 736 CE3 TRP A 53 -5.538 -5.566 -3.979 1.00 0.00 C ATOM 737 CZ2 TRP A 53 -6.646 -7.824 -5.269 1.00 0.00 C ATOM 738 CZ3 TRP A 53 -5.792 -5.568 -5.337 1.00 0.00 C ATOM 739 CH2 TRP A 53 -6.342 -6.690 -5.970 1.00 0.00 C ATOM 0 H TRP A 53 -3.649 -7.939 0.744 1.00 0.00 H new ATOM 0 HA TRP A 53 -3.176 -6.104 -1.533 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -5.664 -6.469 0.184 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -5.434 -5.159 -0.957 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -6.227 -8.901 -0.816 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -6.982 -9.728 -3.148 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -5.115 -4.695 -3.500 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -7.069 -8.688 -5.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -5.562 -4.689 -5.921 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -6.530 -6.659 -7.033 1.00 0.00 H new ATOM 750 N VAL A 54 -3.091 -4.033 0.021 1.00 0.00 N ATOM 751 CA VAL A 54 -2.639 -2.961 0.900 1.00 0.00 C ATOM 752 C VAL A 54 -3.490 -1.709 0.722 1.00 0.00 C ATOM 753 O VAL A 54 -3.573 -1.153 -0.373 1.00 0.00 O ATOM 754 CB VAL A 54 -1.164 -2.606 0.636 1.00 0.00 C ATOM 755 CG1 VAL A 54 -0.654 -1.629 1.684 1.00 0.00 C ATOM 756 CG2 VAL A 54 -0.309 -3.864 0.608 1.00 0.00 C ATOM 0 H VAL A 54 -3.329 -3.732 -0.924 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.742 -3.324 1.922 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.094 -2.125 -0.340 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.390 -1.390 1.481 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.249 -0.716 1.650 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.737 -2.080 2.673 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.730 -3.594 0.420 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.383 -4.376 1.568 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.661 -4.525 -0.184 1.00 0.00 H new ATOM 766 N GLY A 55 -4.120 -1.270 1.806 1.00 0.00 N ATOM 767 CA GLY A 55 -4.956 -0.086 1.750 1.00 0.00 C ATOM 768 C GLY A 55 -4.172 1.190 1.990 1.00 0.00 C ATOM 769 O GLY A 55 -3.768 1.474 3.118 1.00 0.00 O ATOM 0 H GLY A 55 -4.066 -1.713 2.723 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.441 -0.033 0.775 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.747 -0.168 2.495 1.00 0.00 H new ATOM 773 N VAL A 56 -3.957 1.957 0.928 1.00 0.00 N ATOM 774 CA VAL A 56 -3.215 3.209 1.028 1.00 0.00 C ATOM 775 C VAL A 56 -4.156 4.389 1.239 1.00 0.00 C ATOM 776 O VAL A 56 -5.195 4.493 0.586 1.00 0.00 O ATOM 777 CB VAL A 56 -2.366 3.463 -0.234 1.00 0.00 C ATOM 778 CG1 VAL A 56 -1.475 4.680 -0.044 1.00 0.00 C ATOM 779 CG2 VAL A 56 -1.538 2.233 -0.577 1.00 0.00 C ATOM 0 H VAL A 56 -4.285 1.735 -0.012 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.553 3.116 1.889 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.039 3.663 -1.068 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.884 4.842 -0.945 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.093 5.557 0.148 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.808 4.514 0.802 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.945 2.431 -1.470 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.874 1.998 0.255 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.201 1.388 -0.761 1.00 0.00 H new ATOM 789 N GLU A 57 -3.786 5.278 2.155 1.00 0.00 N ATOM 790 CA GLU A 57 -4.598 6.453 2.451 1.00 0.00 C ATOM 791 C GLU A 57 -4.143 7.652 1.626 1.00 0.00 C ATOM 792 O GLU A 57 -3.112 8.260 1.913 1.00 0.00 O ATOM 793 CB GLU A 57 -4.521 6.788 3.943 1.00 0.00 C ATOM 794 CG GLU A 57 -5.420 7.942 4.354 1.00 0.00 C ATOM 795 CD GLU A 57 -4.650 9.086 4.986 1.00 0.00 C ATOM 796 OE1 GLU A 57 -3.565 8.832 5.549 1.00 0.00 O ATOM 797 OE2 GLU A 57 -5.132 10.236 4.915 1.00 0.00 O ATOM 0 H GLU A 57 -2.930 5.207 2.705 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.631 6.225 2.188 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.792 5.904 4.520 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.490 7.032 4.199 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.956 8.310 3.479 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.169 7.581 5.058 1.00 0.00 H new ATOM 804 N LEU A 58 -4.918 7.985 0.599 1.00 0.00 N ATOM 805 CA LEU A 58 -4.594 9.112 -0.269 1.00 0.00 C ATOM 806 C LEU A 58 -5.228 10.398 0.252 1.00 0.00 C ATOM 807 O LEU A 58 -6.436 10.458 0.485 1.00 0.00 O ATOM 808 CB LEU A 58 -5.070 8.838 -1.697 1.00 0.00 C ATOM 809 CG LEU A 58 -4.615 7.502 -2.286 1.00 0.00 C ATOM 810 CD1 LEU A 58 -5.447 7.145 -3.507 1.00 0.00 C ATOM 811 CD2 LEU A 58 -3.137 7.552 -2.642 1.00 0.00 C ATOM 0 H LEU A 58 -5.774 7.491 0.347 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.511 9.236 -0.273 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.159 8.873 -1.714 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.716 9.642 -2.342 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.761 6.727 -1.534 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.108 6.191 -3.912 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.496 7.066 -3.222 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.334 7.921 -4.264 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.831 6.593 -3.060 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.966 8.339 -3.377 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.554 7.760 -1.745 1.00 0.00 H new ATOM 823 N ASP A 59 -4.405 11.428 0.431 1.00 0.00 N ATOM 824 CA ASP A 59 -4.886 12.713 0.923 1.00 0.00 C ATOM 825 C ASP A 59 -5.671 13.449 -0.157 1.00 0.00 C ATOM 826 O ASP A 59 -6.577 14.229 0.142 1.00 0.00 O ATOM 827 CB ASP A 59 -3.711 13.574 1.392 1.00 0.00 C ATOM 828 CG ASP A 59 -2.844 12.863 2.411 1.00 0.00 C ATOM 829 OD1 ASP A 59 -2.504 11.683 2.181 1.00 0.00 O ATOM 830 OD2 ASP A 59 -2.504 13.486 3.440 1.00 0.00 O ATOM 0 H ASP A 59 -3.403 11.397 0.243 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.551 12.526 1.766 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.102 13.852 0.532 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.092 14.499 1.825 1.00 0.00 H new ATOM 835 N LEU A 60 -5.320 13.198 -1.414 1.00 0.00 N ATOM 836 CA LEU A 60 -5.991 13.838 -2.539 1.00 0.00 C ATOM 837 C LEU A 60 -6.905 12.850 -3.263 1.00 0.00 C ATOM 838 O LEU A 60 -6.567 11.675 -3.407 1.00 0.00 O ATOM 839 CB LEU A 60 -4.962 14.408 -3.516 1.00 0.00 C ATOM 840 CG LEU A 60 -4.398 15.778 -3.137 1.00 0.00 C ATOM 841 CD1 LEU A 60 -3.162 16.093 -3.965 1.00 0.00 C ATOM 842 CD2 LEU A 60 -5.454 16.856 -3.320 1.00 0.00 C ATOM 0 H LEU A 60 -4.574 12.555 -1.679 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.602 14.652 -2.149 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.135 13.703 -3.601 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.421 14.481 -4.502 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.109 15.754 -2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.774 17.072 -3.682 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.400 15.335 -3.785 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.425 16.099 -5.023 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.036 17.825 -3.046 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.773 16.880 -4.362 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.311 16.637 -2.683 1.00 0.00 H new ATOM 854 N PRO A 61 -8.077 13.314 -3.733 1.00 0.00 N ATOM 855 CA PRO A 61 -9.034 12.459 -4.446 1.00 0.00 C ATOM 856 C PRO A 61 -8.403 11.767 -5.650 1.00 0.00 C ATOM 857 O PRO A 61 -8.344 12.332 -6.743 1.00 0.00 O ATOM 858 CB PRO A 61 -10.121 13.435 -4.902 1.00 0.00 C ATOM 859 CG PRO A 61 -10.017 14.590 -3.967 1.00 0.00 C ATOM 860 CD PRO A 61 -8.562 14.700 -3.609 1.00 0.00 C ATOM 0 HA PRO A 61 -9.407 11.653 -3.814 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.964 13.747 -5.934 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.109 12.976 -4.855 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -10.374 15.506 -4.437 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -10.627 14.429 -3.078 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.032 15.374 -4.282 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.424 15.086 -2.599 1.00 0.00 H new ATOM 868 N SER A 62 -7.933 10.541 -5.443 1.00 0.00 N ATOM 869 CA SER A 62 -7.308 9.772 -6.512 1.00 0.00 C ATOM 870 C SER A 62 -7.424 8.274 -6.246 1.00 0.00 C ATOM 871 O SER A 62 -6.476 7.519 -6.459 1.00 0.00 O ATOM 872 CB SER A 62 -5.835 10.164 -6.656 1.00 0.00 C ATOM 873 OG SER A 62 -5.384 9.973 -7.986 1.00 0.00 O ATOM 0 H SER A 62 -7.973 10.059 -4.545 1.00 0.00 H new ATOM 0 HA SER A 62 -7.830 9.998 -7.441 1.00 0.00 H new ATOM 0 HB2 SER A 62 -5.704 11.208 -6.370 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.229 9.568 -5.974 1.00 0.00 H new ATOM 0 HG SER A 62 -4.441 10.232 -8.052 1.00 0.00 H new ATOM 879 N GLY A 63 -8.595 7.852 -5.777 1.00 0.00 N ATOM 880 CA GLY A 63 -8.814 6.446 -5.488 1.00 0.00 C ATOM 881 C GLY A 63 -10.070 5.909 -6.146 1.00 0.00 C ATOM 882 O GLY A 63 -10.537 6.454 -7.146 1.00 0.00 O ATOM 0 H GLY A 63 -9.395 8.458 -5.592 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.954 5.870 -5.829 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.884 6.306 -4.409 1.00 0.00 H new ATOM 886 N LYS A 64 -10.615 4.835 -5.584 1.00 0.00 N ATOM 887 CA LYS A 64 -11.824 4.222 -6.122 1.00 0.00 C ATOM 888 C LYS A 64 -12.726 3.719 -4.998 1.00 0.00 C ATOM 889 O LYS A 64 -13.903 4.072 -4.929 1.00 0.00 O ATOM 890 CB LYS A 64 -11.461 3.067 -7.059 1.00 0.00 C ATOM 891 CG LYS A 64 -12.170 3.127 -8.402 1.00 0.00 C ATOM 892 CD LYS A 64 -12.467 1.735 -8.941 1.00 0.00 C ATOM 893 CE LYS A 64 -11.861 1.528 -10.320 1.00 0.00 C ATOM 894 NZ LYS A 64 -12.865 1.712 -11.402 1.00 0.00 N ATOM 0 H LYS A 64 -10.239 4.371 -4.757 1.00 0.00 H new ATOM 0 HA LYS A 64 -12.367 4.981 -6.686 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.384 3.070 -7.226 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.705 2.124 -6.571 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.101 3.684 -8.298 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -11.552 3.670 -9.117 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.073 0.986 -8.254 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.546 1.586 -8.991 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -11.040 2.230 -10.464 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.439 0.525 -10.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -12.411 1.562 -12.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.637 1.026 -11.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.250 2.677 -11.358 1.00 0.00 H new ATOM 908 N ASN A 65 -12.164 2.895 -4.119 1.00 0.00 N ATOM 909 CA ASN A 65 -12.917 2.345 -2.999 1.00 0.00 C ATOM 910 C ASN A 65 -13.131 3.400 -1.918 1.00 0.00 C ATOM 911 O ASN A 65 -12.205 4.122 -1.549 1.00 0.00 O ATOM 912 CB ASN A 65 -12.187 1.137 -2.411 1.00 0.00 C ATOM 913 CG ASN A 65 -11.822 0.112 -3.467 1.00 0.00 C ATOM 914 OD1 ASN A 65 -10.547 -0.259 -3.516 1.00 0.00 O flip ATOM 915 ND2 ASN A 65 -12.675 -0.341 -4.230 1.00 0.00 N flip ATOM 0 H ASN A 65 -11.190 2.594 -4.161 1.00 0.00 H new ATOM 0 HA ASN A 65 -13.891 2.027 -3.369 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -11.281 1.473 -1.907 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -12.817 0.668 -1.655 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -13.643 -0.028 -4.157 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -12.414 -1.030 -4.936 1.00 0.00 H new ATOM 922 N ASP A 66 -14.358 3.482 -1.413 1.00 0.00 N ATOM 923 CA ASP A 66 -14.693 4.449 -0.374 1.00 0.00 C ATOM 924 C ASP A 66 -14.524 3.836 1.014 1.00 0.00 C ATOM 925 O ASP A 66 -15.407 3.947 1.865 1.00 0.00 O ATOM 926 CB ASP A 66 -16.129 4.947 -0.556 1.00 0.00 C ATOM 927 CG ASP A 66 -17.139 3.816 -0.546 1.00 0.00 C ATOM 928 OD1 ASP A 66 -16.805 2.726 -0.037 1.00 0.00 O ATOM 929 OD2 ASP A 66 -18.265 4.022 -1.046 1.00 0.00 O ATOM 0 H ASP A 66 -15.136 2.891 -1.706 1.00 0.00 H new ATOM 0 HA ASP A 66 -14.010 5.294 -0.463 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -16.370 5.652 0.239 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -16.206 5.490 -1.498 1.00 0.00 H new ATOM 934 N GLY A 67 -13.384 3.190 1.235 1.00 0.00 N ATOM 935 CA GLY A 67 -13.119 2.570 2.520 1.00 0.00 C ATOM 936 C GLY A 67 -13.759 1.199 2.656 1.00 0.00 C ATOM 937 O GLY A 67 -13.732 0.601 3.732 1.00 0.00 O ATOM 0 H GLY A 67 -12.639 3.085 0.547 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -12.042 2.478 2.659 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.488 3.219 3.314 1.00 0.00 H new ATOM 941 N SER A 68 -14.335 0.697 1.567 1.00 0.00 N ATOM 942 CA SER A 68 -14.982 -0.611 1.580 1.00 0.00 C ATOM 943 C SER A 68 -15.121 -1.164 0.165 1.00 0.00 C ATOM 944 O SER A 68 -15.158 -0.409 -0.806 1.00 0.00 O ATOM 945 CB SER A 68 -16.357 -0.517 2.241 1.00 0.00 C ATOM 946 OG SER A 68 -17.278 0.169 1.411 1.00 0.00 O ATOM 0 H SER A 68 -14.367 1.175 0.667 1.00 0.00 H new ATOM 0 HA SER A 68 -14.356 -1.292 2.157 1.00 0.00 H new ATOM 0 HB2 SER A 68 -16.731 -1.519 2.453 1.00 0.00 H new ATOM 0 HB3 SER A 68 -16.270 -0.000 3.197 1.00 0.00 H new ATOM 0 HG SER A 68 -16.855 0.976 1.051 1.00 0.00 H new ATOM 952 N ILE A 69 -15.197 -2.487 0.059 1.00 0.00 N ATOM 953 CA ILE A 69 -15.333 -3.142 -1.237 1.00 0.00 C ATOM 954 C ILE A 69 -16.181 -4.404 -1.127 1.00 0.00 C ATOM 955 O ILE A 69 -15.774 -5.385 -0.504 1.00 0.00 O ATOM 956 CB ILE A 69 -13.959 -3.511 -1.827 1.00 0.00 C ATOM 957 CG1 ILE A 69 -13.012 -2.311 -1.762 1.00 0.00 C ATOM 958 CG2 ILE A 69 -14.111 -3.997 -3.261 1.00 0.00 C ATOM 959 CD1 ILE A 69 -11.614 -2.619 -2.253 1.00 0.00 C ATOM 0 H ILE A 69 -15.167 -3.126 0.854 1.00 0.00 H new ATOM 0 HA ILE A 69 -15.826 -2.432 -1.901 1.00 0.00 H new ATOM 0 HB ILE A 69 -13.531 -4.319 -1.234 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -13.427 -1.498 -2.358 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -12.957 -1.956 -0.733 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -13.131 -4.254 -3.664 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -14.754 -4.877 -3.281 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -14.557 -3.208 -3.867 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -10.997 -1.724 -2.179 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -11.180 -3.411 -1.642 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -11.657 -2.945 -3.292 1.00 0.00 H new ATOM 971 N GLY A 70 -17.362 -4.373 -1.735 1.00 0.00 N ATOM 972 CA GLY A 70 -18.249 -5.521 -1.692 1.00 0.00 C ATOM 973 C GLY A 70 -19.032 -5.603 -0.397 1.00 0.00 C ATOM 974 O GLY A 70 -20.263 -5.581 -0.407 1.00 0.00 O ATOM 0 H GLY A 70 -17.721 -3.573 -2.257 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -18.944 -5.470 -2.530 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -17.664 -6.432 -1.817 1.00 0.00 H new ATOM 978 N GLY A 71 -18.318 -5.693 0.720 1.00 0.00 N ATOM 979 CA GLY A 71 -18.970 -5.776 2.013 1.00 0.00 C ATOM 980 C GLY A 71 -17.994 -6.055 3.138 1.00 0.00 C ATOM 981 O GLY A 71 -18.248 -6.906 3.992 1.00 0.00 O ATOM 0 H GLY A 71 -17.299 -5.710 0.753 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -19.493 -4.841 2.213 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -19.724 -6.563 1.986 1.00 0.00 H new ATOM 985 N LYS A 72 -16.875 -5.339 3.140 1.00 0.00 N ATOM 986 CA LYS A 72 -15.857 -5.514 4.169 1.00 0.00 C ATOM 987 C LYS A 72 -14.979 -4.271 4.283 1.00 0.00 C ATOM 988 O LYS A 72 -14.142 -4.009 3.419 1.00 0.00 O ATOM 989 CB LYS A 72 -14.992 -6.737 3.858 1.00 0.00 C ATOM 990 CG LYS A 72 -13.958 -7.039 4.930 1.00 0.00 C ATOM 991 CD LYS A 72 -14.472 -8.069 5.924 1.00 0.00 C ATOM 992 CE LYS A 72 -13.587 -8.141 7.159 1.00 0.00 C ATOM 993 NZ LYS A 72 -12.671 -9.313 7.119 1.00 0.00 N ATOM 0 H LYS A 72 -16.650 -4.632 2.440 1.00 0.00 H new ATOM 0 HA LYS A 72 -16.363 -5.668 5.122 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.638 -7.606 3.733 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.482 -6.579 2.908 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -13.044 -7.407 4.463 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -13.699 -6.121 5.457 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -15.490 -7.815 6.219 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -14.513 -9.048 5.447 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.001 -7.225 7.239 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -14.212 -8.199 8.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.085 -9.325 7.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.230 -10.189 7.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.057 -9.245 6.283 1.00 0.00 H new ATOM 1007 N GLN A 73 -15.177 -3.510 5.355 1.00 0.00 N ATOM 1008 CA GLN A 73 -14.403 -2.295 5.581 1.00 0.00 C ATOM 1009 C GLN A 73 -12.932 -2.623 5.822 1.00 0.00 C ATOM 1010 O GLN A 73 -12.578 -3.772 6.081 1.00 0.00 O ATOM 1011 CB GLN A 73 -14.966 -1.520 6.774 1.00 0.00 C ATOM 1012 CG GLN A 73 -14.789 -0.015 6.662 1.00 0.00 C ATOM 1013 CD GLN A 73 -15.812 0.754 7.473 1.00 0.00 C ATOM 1014 OE1 GLN A 73 -16.287 0.280 8.505 1.00 0.00 O ATOM 1015 NE2 GLN A 73 -16.157 1.950 7.010 1.00 0.00 N ATOM 0 H GLN A 73 -15.866 -3.713 6.079 1.00 0.00 H new ATOM 0 HA GLN A 73 -14.477 -1.676 4.687 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -16.028 -1.746 6.875 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -14.479 -1.868 7.685 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -13.788 0.255 6.997 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -14.865 0.279 5.615 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -15.738 2.304 6.150 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -16.841 2.514 7.514 1.00 0.00 H new ATOM 1024 N TYR A 74 -12.082 -1.605 5.735 1.00 0.00 N ATOM 1025 CA TYR A 74 -10.651 -1.786 5.943 1.00 0.00 C ATOM 1026 C TYR A 74 -10.077 -0.654 6.788 1.00 0.00 C ATOM 1027 O TYR A 74 -9.530 -0.886 7.866 1.00 0.00 O ATOM 1028 CB TYR A 74 -9.923 -1.855 4.600 1.00 0.00 C ATOM 1029 CG TYR A 74 -10.282 -3.071 3.777 1.00 0.00 C ATOM 1030 CD1 TYR A 74 -9.686 -4.301 4.022 1.00 0.00 C ATOM 1031 CD2 TYR A 74 -11.219 -2.988 2.754 1.00 0.00 C ATOM 1032 CE1 TYR A 74 -10.013 -5.415 3.272 1.00 0.00 C ATOM 1033 CE2 TYR A 74 -11.551 -4.097 1.999 1.00 0.00 C ATOM 1034 CZ TYR A 74 -10.945 -5.307 2.262 1.00 0.00 C ATOM 1035 OH TYR A 74 -11.273 -6.414 1.513 1.00 0.00 O ATOM 0 H TYR A 74 -12.360 -0.647 5.522 1.00 0.00 H new ATOM 0 HA TYR A 74 -10.503 -2.725 6.477 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -10.153 -0.958 4.026 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.848 -1.853 4.779 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.955 -4.389 4.812 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -11.695 -2.041 2.546 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -9.541 -6.365 3.476 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -12.281 -4.016 1.207 1.00 0.00 H new ATOM 0 HH TYR A 74 -12.099 -6.239 1.015 1.00 0.00 H new ATOM 1045 N PHE A 75 -10.207 0.573 6.292 1.00 0.00 N ATOM 1046 CA PHE A 75 -9.702 1.742 7.002 1.00 0.00 C ATOM 1047 C PHE A 75 -10.791 2.798 7.155 1.00 0.00 C ATOM 1048 O PHE A 75 -11.929 2.599 6.731 1.00 0.00 O ATOM 1049 CB PHE A 75 -8.501 2.334 6.263 1.00 0.00 C ATOM 1050 CG PHE A 75 -8.723 2.495 4.786 1.00 0.00 C ATOM 1051 CD1 PHE A 75 -8.464 1.449 3.915 1.00 0.00 C ATOM 1052 CD2 PHE A 75 -9.192 3.692 4.269 1.00 0.00 C ATOM 1053 CE1 PHE A 75 -8.667 1.594 2.556 1.00 0.00 C ATOM 1054 CE2 PHE A 75 -9.396 3.843 2.910 1.00 0.00 C ATOM 1055 CZ PHE A 75 -9.134 2.793 2.053 1.00 0.00 C ATOM 0 H PHE A 75 -10.658 0.783 5.401 1.00 0.00 H new ATOM 0 HA PHE A 75 -9.387 1.424 7.996 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.263 3.306 6.694 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.634 1.693 6.424 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -8.099 0.509 4.303 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -9.400 4.516 4.935 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -8.461 0.771 1.888 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -9.760 4.782 2.519 1.00 0.00 H new ATOM 0 HZ PHE A 75 -9.294 2.909 0.991 1.00 0.00 H new ATOM 1065 N ARG A 76 -10.434 3.924 7.764 1.00 0.00 N ATOM 1066 CA ARG A 76 -11.380 5.014 7.974 1.00 0.00 C ATOM 1067 C ARG A 76 -10.926 6.276 7.246 1.00 0.00 C ATOM 1068 O ARG A 76 -10.000 6.958 7.684 1.00 0.00 O ATOM 1069 CB ARG A 76 -11.535 5.303 9.469 1.00 0.00 C ATOM 1070 CG ARG A 76 -12.846 5.984 9.824 1.00 0.00 C ATOM 1071 CD ARG A 76 -13.039 6.069 11.329 1.00 0.00 C ATOM 1072 NE ARG A 76 -12.116 7.018 11.947 1.00 0.00 N ATOM 1073 CZ ARG A 76 -12.291 8.338 11.931 1.00 0.00 C ATOM 1074 NH1 ARG A 76 -13.349 8.869 11.332 1.00 0.00 N ATOM 1075 NH2 ARG A 76 -11.403 9.130 12.518 1.00 0.00 N ATOM 0 H ARG A 76 -9.496 4.106 8.121 1.00 0.00 H new ATOM 0 HA ARG A 76 -12.344 4.708 7.568 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.461 4.366 10.021 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.708 5.933 9.797 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -12.864 6.987 9.397 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -13.675 5.433 9.380 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -14.065 6.367 11.547 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -12.893 5.083 11.769 1.00 0.00 H new ATOM 0 HE ARG A 76 -11.290 6.648 12.418 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -14.035 8.265 10.880 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -13.476 9.881 11.324 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -10.588 8.728 12.981 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -11.535 10.141 12.507 1.00 0.00 H new ATOM 1089 N CYS A 77 -11.584 6.579 6.132 1.00 0.00 N ATOM 1090 CA CYS A 77 -11.248 7.757 5.343 1.00 0.00 C ATOM 1091 C CYS A 77 -12.456 8.241 4.546 1.00 0.00 C ATOM 1092 O CYS A 77 -13.464 7.542 4.443 1.00 0.00 O ATOM 1093 CB CYS A 77 -10.086 7.449 4.397 1.00 0.00 C ATOM 1094 SG CYS A 77 -8.830 8.747 4.323 1.00 0.00 S ATOM 0 H CYS A 77 -12.353 6.025 5.756 1.00 0.00 H new ATOM 0 HA CYS A 77 -10.948 8.549 6.029 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -9.613 6.518 4.711 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -10.482 7.284 3.395 1.00 0.00 H new ATOM 0 HG CYS A 77 -8.134 8.616 3.233 1.00 0.00 H new ATOM 1100 N ASN A 78 -12.346 9.441 3.984 1.00 0.00 N ATOM 1101 CA ASN A 78 -13.429 10.017 3.196 1.00 0.00 C ATOM 1102 C ASN A 78 -13.629 9.244 1.895 1.00 0.00 C ATOM 1103 O ASN A 78 -12.705 8.597 1.400 1.00 0.00 O ATOM 1104 CB ASN A 78 -13.137 11.487 2.889 1.00 0.00 C ATOM 1105 CG ASN A 78 -13.470 12.400 4.054 1.00 0.00 C ATOM 1106 OD1 ASN A 78 -12.581 12.854 4.773 1.00 0.00 O ATOM 1107 ND2 ASN A 78 -14.755 12.671 4.244 1.00 0.00 N ATOM 0 H ASN A 78 -11.518 10.032 4.060 1.00 0.00 H new ATOM 0 HA ASN A 78 -14.346 9.949 3.781 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -12.083 11.599 2.633 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -13.712 11.794 2.015 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -15.040 13.279 5.012 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -15.458 12.272 3.622 1.00 0.00 H new ATOM 1114 N PRO A 79 -14.843 9.302 1.321 1.00 0.00 N ATOM 1115 CA PRO A 79 -15.159 8.605 0.072 1.00 0.00 C ATOM 1116 C PRO A 79 -14.460 9.228 -1.132 1.00 0.00 C ATOM 1117 O PRO A 79 -14.496 10.443 -1.323 1.00 0.00 O ATOM 1118 CB PRO A 79 -16.676 8.764 -0.051 1.00 0.00 C ATOM 1119 CG PRO A 79 -16.989 10.002 0.715 1.00 0.00 C ATOM 1120 CD PRO A 79 -16.000 10.052 1.845 1.00 0.00 C ATOM 0 HA PRO A 79 -14.826 7.567 0.090 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -16.981 8.855 -1.093 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -17.199 7.901 0.360 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -16.902 10.885 0.082 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -18.011 9.979 1.092 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -15.732 11.078 2.099 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -16.400 9.593 2.749 1.00 0.00 H new ATOM 1128 N GLY A 80 -13.824 8.387 -1.942 1.00 0.00 N ATOM 1129 CA GLY A 80 -13.126 8.874 -3.117 1.00 0.00 C ATOM 1130 C GLY A 80 -11.687 9.251 -2.823 1.00 0.00 C ATOM 1131 O GLY A 80 -11.122 10.124 -3.481 1.00 0.00 O ATOM 0 H GLY A 80 -13.780 7.377 -1.805 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.146 8.107 -3.891 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -13.652 9.742 -3.514 1.00 0.00 H new ATOM 1135 N TYR A 81 -11.095 8.592 -1.833 1.00 0.00 N ATOM 1136 CA TYR A 81 -9.713 8.864 -1.453 1.00 0.00 C ATOM 1137 C TYR A 81 -8.947 7.565 -1.221 1.00 0.00 C ATOM 1138 O TYR A 81 -7.853 7.376 -1.751 1.00 0.00 O ATOM 1139 CB TYR A 81 -9.669 9.727 -0.191 1.00 0.00 C ATOM 1140 CG TYR A 81 -10.236 11.116 -0.387 1.00 0.00 C ATOM 1141 CD1 TYR A 81 -11.599 11.312 -0.568 1.00 0.00 C ATOM 1142 CD2 TYR A 81 -9.406 12.231 -0.392 1.00 0.00 C ATOM 1143 CE1 TYR A 81 -12.121 12.580 -0.747 1.00 0.00 C ATOM 1144 CE2 TYR A 81 -9.920 13.501 -0.570 1.00 0.00 C ATOM 1145 CZ TYR A 81 -11.277 13.670 -0.747 1.00 0.00 C ATOM 1146 OH TYR A 81 -11.792 14.933 -0.925 1.00 0.00 O ATOM 0 H TYR A 81 -11.550 7.866 -1.279 1.00 0.00 H new ATOM 0 HA TYR A 81 -9.237 9.405 -2.271 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -10.224 9.225 0.602 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -8.636 9.810 0.147 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -12.262 10.460 -0.569 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -8.343 12.103 -0.255 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -13.183 12.716 -0.886 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -9.262 14.357 -0.571 1.00 0.00 H new ATOM 0 HH TYR A 81 -11.065 15.590 -0.898 1.00 0.00 H new ATOM 1156 N GLY A 82 -9.531 6.673 -0.427 1.00 0.00 N ATOM 1157 CA GLY A 82 -8.888 5.403 -0.142 1.00 0.00 C ATOM 1158 C GLY A 82 -8.655 4.578 -1.391 1.00 0.00 C ATOM 1159 O GLY A 82 -9.342 4.755 -2.398 1.00 0.00 O ATOM 0 H GLY A 82 -10.436 6.806 0.023 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.934 5.585 0.352 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.505 4.835 0.555 1.00 0.00 H new ATOM 1163 N LEU A 83 -7.683 3.673 -1.327 1.00 0.00 N ATOM 1164 CA LEU A 83 -7.361 2.817 -2.463 1.00 0.00 C ATOM 1165 C LEU A 83 -6.594 1.579 -2.010 1.00 0.00 C ATOM 1166 O LEU A 83 -5.672 1.669 -1.201 1.00 0.00 O ATOM 1167 CB LEU A 83 -6.539 3.591 -3.495 1.00 0.00 C ATOM 1168 CG LEU A 83 -6.178 2.806 -4.757 1.00 0.00 C ATOM 1169 CD1 LEU A 83 -7.426 2.519 -5.580 1.00 0.00 C ATOM 1170 CD2 LEU A 83 -5.156 3.570 -5.585 1.00 0.00 C ATOM 0 H LEU A 83 -7.106 3.514 -0.501 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.297 2.496 -2.921 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.096 4.481 -3.787 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.618 3.932 -3.022 1.00 0.00 H new ATOM 0 HG LEU A 83 -5.737 1.855 -4.458 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.151 1.960 -6.474 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.127 1.932 -4.986 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -7.895 3.459 -5.870 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.911 2.997 -6.479 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -5.571 4.535 -5.875 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.253 3.726 -4.995 1.00 0.00 H new ATOM 1182 N LEU A 84 -6.981 0.422 -2.540 1.00 0.00 N ATOM 1183 CA LEU A 84 -6.330 -0.835 -2.190 1.00 0.00 C ATOM 1184 C LEU A 84 -5.443 -1.323 -3.332 1.00 0.00 C ATOM 1185 O LEU A 84 -5.917 -1.551 -4.445 1.00 0.00 O ATOM 1186 CB LEU A 84 -7.377 -1.897 -1.848 1.00 0.00 C ATOM 1187 CG LEU A 84 -7.687 -2.044 -0.358 1.00 0.00 C ATOM 1188 CD1 LEU A 84 -9.003 -2.778 -0.155 1.00 0.00 C ATOM 1189 CD2 LEU A 84 -6.554 -2.771 0.351 1.00 0.00 C ATOM 0 H LEU A 84 -7.742 0.330 -3.213 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.702 -0.661 -1.316 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.301 -1.657 -2.374 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -7.034 -2.859 -2.229 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.781 -1.048 0.074 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -9.206 -2.873 0.912 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -9.809 -2.218 -0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.939 -3.770 -0.602 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.790 -2.867 1.411 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.429 -3.762 -0.085 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.630 -2.205 0.235 1.00 0.00 H new ATOM 1201 N VAL A 85 -4.156 -1.483 -3.046 1.00 0.00 N ATOM 1202 CA VAL A 85 -3.202 -1.945 -4.048 1.00 0.00 C ATOM 1203 C VAL A 85 -2.331 -3.069 -3.499 1.00 0.00 C ATOM 1204 O VAL A 85 -2.195 -3.227 -2.285 1.00 0.00 O ATOM 1205 CB VAL A 85 -2.296 -0.798 -4.532 1.00 0.00 C ATOM 1206 CG1 VAL A 85 -3.062 0.136 -5.455 1.00 0.00 C ATOM 1207 CG2 VAL A 85 -1.720 -0.036 -3.348 1.00 0.00 C ATOM 0 H VAL A 85 -3.749 -1.300 -2.129 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.784 -2.318 -4.891 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.468 -1.228 -5.095 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.405 0.940 -5.786 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.419 -0.421 -6.321 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.912 0.560 -4.920 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.082 0.771 -3.710 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.533 0.382 -2.754 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.131 -0.714 -2.730 1.00 0.00 H new ATOM 1217 N ARG A 86 -1.740 -3.847 -4.399 1.00 0.00 N ATOM 1218 CA ARG A 86 -0.881 -4.956 -4.005 1.00 0.00 C ATOM 1219 C ARG A 86 0.436 -4.444 -3.426 1.00 0.00 C ATOM 1220 O ARG A 86 0.899 -3.360 -3.779 1.00 0.00 O ATOM 1221 CB ARG A 86 -0.605 -5.867 -5.203 1.00 0.00 C ATOM 1222 CG ARG A 86 -1.859 -6.487 -5.797 1.00 0.00 C ATOM 1223 CD ARG A 86 -2.134 -7.863 -5.208 1.00 0.00 C ATOM 1224 NE ARG A 86 -2.201 -8.895 -6.240 1.00 0.00 N ATOM 1225 CZ ARG A 86 -2.035 -10.194 -6.003 1.00 0.00 C ATOM 1226 NH1 ARG A 86 -1.796 -10.626 -4.770 1.00 0.00 N ATOM 1227 NH2 ARG A 86 -2.109 -11.065 -7.000 1.00 0.00 N ATOM 0 H ARG A 86 -1.841 -3.729 -5.407 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.399 -5.528 -3.235 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.093 -5.293 -5.975 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.073 -6.663 -4.895 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.712 -5.834 -5.612 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.749 -6.568 -6.878 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.351 -8.115 -4.493 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.074 -7.840 -4.656 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.386 -8.602 -7.199 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.739 -9.961 -3.999 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.670 -11.623 -4.594 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.293 -10.739 -7.949 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.982 -12.061 -6.818 1.00 0.00 H new ATOM 1241 N PRO A 87 1.059 -5.222 -2.524 1.00 0.00 N ATOM 1242 CA PRO A 87 2.328 -4.841 -1.896 1.00 0.00 C ATOM 1243 C PRO A 87 3.392 -4.471 -2.921 1.00 0.00 C ATOM 1244 O PRO A 87 4.174 -3.542 -2.714 1.00 0.00 O ATOM 1245 CB PRO A 87 2.739 -6.099 -1.128 1.00 0.00 C ATOM 1246 CG PRO A 87 1.462 -6.819 -0.866 1.00 0.00 C ATOM 1247 CD PRO A 87 0.575 -6.530 -2.046 1.00 0.00 C ATOM 0 HA PRO A 87 2.221 -3.958 -1.265 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.426 -6.712 -1.711 1.00 0.00 H new ATOM 0 HB3 PRO A 87 3.248 -5.846 -0.198 1.00 0.00 H new ATOM 0 HG2 PRO A 87 1.633 -7.890 -0.759 1.00 0.00 H new ATOM 0 HG3 PRO A 87 1.003 -6.475 0.061 1.00 0.00 H new ATOM 0 HD2 PRO A 87 0.666 -7.298 -2.815 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -0.476 -6.489 -1.759 1.00 0.00 H new ATOM 1255 N SER A 88 3.415 -5.204 -4.027 1.00 0.00 N ATOM 1256 CA SER A 88 4.382 -4.958 -5.090 1.00 0.00 C ATOM 1257 C SER A 88 4.244 -3.540 -5.634 1.00 0.00 C ATOM 1258 O SER A 88 5.223 -2.933 -6.070 1.00 0.00 O ATOM 1259 CB SER A 88 4.195 -5.971 -6.221 1.00 0.00 C ATOM 1260 OG SER A 88 5.418 -6.218 -6.893 1.00 0.00 O ATOM 0 H SER A 88 2.774 -5.975 -4.212 1.00 0.00 H new ATOM 0 HA SER A 88 5.382 -5.071 -4.671 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.804 -6.904 -5.816 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.456 -5.597 -6.930 1.00 0.00 H new ATOM 0 HG SER A 88 5.271 -6.870 -7.610 1.00 0.00 H new ATOM 1266 N ARG A 89 3.023 -3.017 -5.605 1.00 0.00 N ATOM 1267 CA ARG A 89 2.756 -1.669 -6.094 1.00 0.00 C ATOM 1268 C ARG A 89 3.273 -0.620 -5.114 1.00 0.00 C ATOM 1269 O ARG A 89 3.628 0.490 -5.509 1.00 0.00 O ATOM 1270 CB ARG A 89 1.256 -1.475 -6.322 1.00 0.00 C ATOM 1271 CG ARG A 89 0.761 -2.054 -7.636 1.00 0.00 C ATOM 1272 CD ARG A 89 1.208 -1.212 -8.820 1.00 0.00 C ATOM 1273 NE ARG A 89 0.172 -1.114 -9.845 1.00 0.00 N ATOM 1274 CZ ARG A 89 0.338 -0.495 -11.011 1.00 0.00 C ATOM 1275 NH1 ARG A 89 1.496 0.084 -11.305 1.00 0.00 N ATOM 1276 NH2 ARG A 89 -0.658 -0.452 -11.887 1.00 0.00 N ATOM 0 H ARG A 89 2.202 -3.506 -5.248 1.00 0.00 H new ATOM 0 HA ARG A 89 3.281 -1.543 -7.041 1.00 0.00 H new ATOM 0 HB2 ARG A 89 0.709 -1.939 -5.501 1.00 0.00 H new ATOM 0 HB3 ARG A 89 1.028 -0.410 -6.295 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.135 -3.071 -7.750 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.327 -2.114 -7.621 1.00 0.00 H new ATOM 0 HD2 ARG A 89 1.472 -0.212 -8.475 1.00 0.00 H new ATOM 0 HD3 ARG A 89 2.108 -1.647 -9.255 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.732 -1.546 -9.656 1.00 0.00 H new ATOM 0 HH11 ARG A 89 2.265 0.056 -10.635 1.00 0.00 H new ATOM 0 HH12 ARG A 89 1.617 0.557 -12.201 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -1.551 -0.893 -11.666 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -0.531 0.023 -12.781 1.00 0.00 H new ATOM 1290 N VAL A 90 3.314 -0.979 -3.834 1.00 0.00 N ATOM 1291 CA VAL A 90 3.787 -0.067 -2.800 1.00 0.00 C ATOM 1292 C VAL A 90 5.288 0.170 -2.921 1.00 0.00 C ATOM 1293 O VAL A 90 6.028 -0.693 -3.391 1.00 0.00 O ATOM 1294 CB VAL A 90 3.477 -0.606 -1.391 1.00 0.00 C ATOM 1295 CG1 VAL A 90 3.779 0.448 -0.338 1.00 0.00 C ATOM 1296 CG2 VAL A 90 2.028 -1.062 -1.299 1.00 0.00 C ATOM 0 H VAL A 90 3.025 -1.895 -3.489 1.00 0.00 H new ATOM 0 HA VAL A 90 3.260 0.876 -2.945 1.00 0.00 H new ATOM 0 HB VAL A 90 4.117 -1.468 -1.204 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.554 0.049 0.651 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.833 0.721 -0.388 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.167 1.331 -0.521 1.00 0.00 H new ATOM 0 HG21 VAL A 90 1.828 -1.439 -0.296 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.368 -0.220 -1.508 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.849 -1.853 -2.027 1.00 0.00 H new ATOM 1306 N ARG A 91 5.730 1.349 -2.495 1.00 0.00 N ATOM 1307 CA ARG A 91 7.144 1.703 -2.555 1.00 0.00 C ATOM 1308 C ARG A 91 7.578 2.422 -1.281 1.00 0.00 C ATOM 1309 O ARG A 91 6.773 3.080 -0.622 1.00 0.00 O ATOM 1310 CB ARG A 91 7.418 2.587 -3.773 1.00 0.00 C ATOM 1311 CG ARG A 91 7.907 1.814 -4.987 1.00 0.00 C ATOM 1312 CD ARG A 91 8.519 2.737 -6.030 1.00 0.00 C ATOM 1313 NE ARG A 91 9.838 2.281 -6.460 1.00 0.00 N ATOM 1314 CZ ARG A 91 10.045 1.178 -7.176 1.00 0.00 C ATOM 1315 NH1 ARG A 91 9.021 0.417 -7.544 1.00 0.00 N ATOM 1316 NH2 ARG A 91 11.277 0.835 -7.524 1.00 0.00 N ATOM 0 H ARG A 91 5.130 2.075 -2.105 1.00 0.00 H new ATOM 0 HA ARG A 91 7.721 0.783 -2.646 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.505 3.122 -4.036 1.00 0.00 H new ATOM 0 HB3 ARG A 91 8.162 3.338 -3.507 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.646 1.076 -4.675 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.075 1.266 -5.429 1.00 0.00 H new ATOM 0 HD2 ARG A 91 7.857 2.797 -6.894 1.00 0.00 H new ATOM 0 HD3 ARG A 91 8.600 3.744 -5.620 1.00 0.00 H new ATOM 0 HE ARG A 91 10.649 2.841 -6.196 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.071 0.677 -7.278 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.184 -0.427 -8.093 1.00 0.00 H new ATOM 0 HH21 ARG A 91 12.067 1.416 -7.243 1.00 0.00 H new ATOM 0 HH22 ARG A 91 11.435 -0.010 -8.073 1.00 0.00 H new ATOM 1330 N ARG A 92 8.857 2.291 -0.941 1.00 0.00 N ATOM 1331 CA ARG A 92 9.398 2.929 0.254 1.00 0.00 C ATOM 1332 C ARG A 92 9.782 4.377 -0.030 1.00 0.00 C ATOM 1333 O ARG A 92 10.416 4.675 -1.042 1.00 0.00 O ATOM 1334 CB ARG A 92 10.616 2.154 0.764 1.00 0.00 C ATOM 1335 CG ARG A 92 10.297 1.204 1.907 1.00 0.00 C ATOM 1336 CD ARG A 92 11.287 1.352 3.052 1.00 0.00 C ATOM 1337 NE ARG A 92 10.852 2.350 4.026 1.00 0.00 N ATOM 1338 CZ ARG A 92 11.337 2.441 5.262 1.00 0.00 C ATOM 1339 NH1 ARG A 92 12.274 1.597 5.679 1.00 0.00 N ATOM 1340 NH2 ARG A 92 10.886 3.378 6.085 1.00 0.00 N ATOM 0 H ARG A 92 9.537 1.750 -1.475 1.00 0.00 H new ATOM 0 HA ARG A 92 8.625 2.922 1.022 1.00 0.00 H new ATOM 0 HB2 ARG A 92 11.046 1.586 -0.061 1.00 0.00 H new ATOM 0 HB3 ARG A 92 11.376 2.863 1.093 1.00 0.00 H new ATOM 0 HG2 ARG A 92 9.288 1.398 2.271 1.00 0.00 H new ATOM 0 HG3 ARG A 92 10.313 0.177 1.542 1.00 0.00 H new ATOM 0 HD2 ARG A 92 11.412 0.390 3.550 1.00 0.00 H new ATOM 0 HD3 ARG A 92 12.262 1.634 2.654 1.00 0.00 H new ATOM 0 HE ARG A 92 10.134 3.017 3.742 1.00 0.00 H new ATOM 0 HH11 ARG A 92 12.626 0.874 5.051 1.00 0.00 H new ATOM 0 HH12 ARG A 92 12.642 1.672 6.627 1.00 0.00 H new ATOM 0 HH21 ARG A 92 10.167 4.030 5.771 1.00 0.00 H new ATOM 0 HH22 ARG A 92 11.258 3.447 7.032 1.00 0.00 H new ATOM 1354 N ALA A 93 9.394 5.274 0.870 1.00 0.00 N ATOM 1355 CA ALA A 93 9.698 6.692 0.717 1.00 0.00 C ATOM 1356 C ALA A 93 10.772 7.134 1.706 1.00 0.00 C ATOM 1357 O ALA A 93 10.570 7.086 2.918 1.00 0.00 O ATOM 1358 CB ALA A 93 8.437 7.524 0.899 1.00 0.00 C ATOM 0 H ALA A 93 8.868 5.044 1.713 1.00 0.00 H new ATOM 0 HA ALA A 93 10.083 6.849 -0.291 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.678 8.581 0.782 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.699 7.235 0.150 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.029 7.353 1.895 1.00 0.00 H new ATOM 1364 N THR A 94 11.914 7.562 1.178 1.00 0.00 N ATOM 1365 CA THR A 94 13.021 8.012 2.014 1.00 0.00 C ATOM 1366 C THR A 94 13.360 9.472 1.730 1.00 0.00 C ATOM 1367 O THR A 94 13.809 9.813 0.636 1.00 0.00 O ATOM 1368 CB THR A 94 14.254 7.137 1.779 1.00 0.00 C ATOM 1369 OG1 THR A 94 14.521 7.007 0.394 1.00 0.00 O ATOM 1370 CG2 THR A 94 14.115 5.742 2.351 1.00 0.00 C ATOM 0 H THR A 94 12.097 7.607 0.176 1.00 0.00 H new ATOM 0 HA THR A 94 12.714 7.925 3.056 1.00 0.00 H new ATOM 0 HB THR A 94 15.070 7.645 2.293 1.00 0.00 H new ATOM 0 HG1 THR A 94 14.466 7.887 -0.034 1.00 0.00 H new ATOM 0 HG21 THR A 94 15.023 5.174 2.150 1.00 0.00 H new ATOM 0 HG22 THR A 94 13.957 5.804 3.428 1.00 0.00 H new ATOM 0 HG23 THR A 94 13.264 5.242 1.888 1.00 0.00 H new ATOM 1378 N SER A 95 13.140 10.329 2.722 1.00 0.00 N ATOM 1379 CA SER A 95 13.422 11.751 2.579 1.00 0.00 C ATOM 1380 C SER A 95 14.888 12.049 2.878 1.00 0.00 C ATOM 1381 O SER A 95 15.672 11.140 3.151 1.00 0.00 O ATOM 1382 CB SER A 95 12.524 12.567 3.512 1.00 0.00 C ATOM 1383 OG SER A 95 12.239 13.842 2.960 1.00 0.00 O ATOM 0 H SER A 95 12.767 10.062 3.633 1.00 0.00 H new ATOM 0 HA SER A 95 13.216 12.034 1.547 1.00 0.00 H new ATOM 0 HB2 SER A 95 11.593 12.028 3.690 1.00 0.00 H new ATOM 0 HB3 SER A 95 13.012 12.687 4.479 1.00 0.00 H new ATOM 0 HG SER A 95 11.663 14.343 3.574 1.00 0.00 H new ATOM 1389 N GLY A 96 15.251 13.326 2.823 1.00 0.00 N ATOM 1390 CA GLY A 96 16.622 13.720 3.090 1.00 0.00 C ATOM 1391 C GLY A 96 16.741 15.180 3.484 1.00 0.00 C ATOM 1392 O GLY A 96 17.055 15.491 4.633 1.00 0.00 O ATOM 0 H GLY A 96 14.620 14.095 2.598 1.00 0.00 H new ATOM 0 HA2 GLY A 96 17.027 13.098 3.888 1.00 0.00 H new ATOM 0 HA3 GLY A 96 17.229 13.536 2.203 1.00 0.00 H new ATOM 1396 N PRO A 97 16.496 16.108 2.543 1.00 0.00 N ATOM 1397 CA PRO A 97 16.582 17.547 2.812 1.00 0.00 C ATOM 1398 C PRO A 97 15.469 18.030 3.738 1.00 0.00 C ATOM 1399 O PRO A 97 14.286 17.904 3.421 1.00 0.00 O ATOM 1400 CB PRO A 97 16.436 18.179 1.426 1.00 0.00 C ATOM 1401 CG PRO A 97 15.686 17.171 0.626 1.00 0.00 C ATOM 1402 CD PRO A 97 16.116 15.827 1.146 1.00 0.00 C ATOM 0 HA PRO A 97 17.510 17.812 3.319 1.00 0.00 H new ATOM 0 HB2 PRO A 97 15.896 19.125 1.477 1.00 0.00 H new ATOM 0 HB3 PRO A 97 17.409 18.391 0.983 1.00 0.00 H new ATOM 0 HG2 PRO A 97 14.610 17.307 0.737 1.00 0.00 H new ATOM 0 HG3 PRO A 97 15.912 17.269 -0.436 1.00 0.00 H new ATOM 0 HD2 PRO A 97 15.309 15.097 1.088 1.00 0.00 H new ATOM 0 HD3 PRO A 97 16.952 15.424 0.575 1.00 0.00 H new ATOM 1410 N SER A 98 15.857 18.582 4.882 1.00 0.00 N ATOM 1411 CA SER A 98 14.893 19.083 5.855 1.00 0.00 C ATOM 1412 C SER A 98 14.446 20.498 5.500 1.00 0.00 C ATOM 1413 O SER A 98 14.778 21.014 4.432 1.00 0.00 O ATOM 1414 CB SER A 98 15.496 19.064 7.260 1.00 0.00 C ATOM 1415 OG SER A 98 16.207 17.861 7.494 1.00 0.00 O ATOM 0 H SER A 98 16.832 18.694 5.159 1.00 0.00 H new ATOM 0 HA SER A 98 14.021 18.429 5.833 1.00 0.00 H new ATOM 0 HB2 SER A 98 16.165 19.915 7.383 1.00 0.00 H new ATOM 0 HB3 SER A 98 14.704 19.172 8.001 1.00 0.00 H new ATOM 0 HG SER A 98 16.584 17.875 8.398 1.00 0.00 H new ATOM 1421 N SER A 99 13.693 21.119 6.401 1.00 0.00 N ATOM 1422 CA SER A 99 13.201 22.474 6.183 1.00 0.00 C ATOM 1423 C SER A 99 14.345 23.482 6.227 1.00 0.00 C ATOM 1424 O SER A 99 15.310 23.309 6.972 1.00 0.00 O ATOM 1425 CB SER A 99 12.150 22.832 7.235 1.00 0.00 C ATOM 1426 OG SER A 99 12.513 22.331 8.510 1.00 0.00 O ATOM 0 H SER A 99 13.410 20.705 7.289 1.00 0.00 H new ATOM 0 HA SER A 99 12.744 22.513 5.194 1.00 0.00 H new ATOM 0 HB2 SER A 99 12.036 23.915 7.285 1.00 0.00 H new ATOM 0 HB3 SER A 99 11.183 22.423 6.942 1.00 0.00 H new ATOM 0 HG SER A 99 11.826 22.575 9.165 1.00 0.00 H new ATOM 1432 N GLY A 100 14.231 24.534 5.423 1.00 0.00 N ATOM 1433 CA GLY A 100 15.263 25.554 5.386 1.00 0.00 C ATOM 1434 C GLY A 100 16.348 25.245 4.374 1.00 0.00 C ATOM 1435 O GLY A 100 17.459 25.800 4.507 1.00 0.00 O ATOM 1436 OXT GLY A 100 16.088 24.445 3.451 1.00 0.00 O ATOM 0 H GLY A 100 13.443 24.699 4.797 1.00 0.00 H new ATOM 0 HA2 GLY A 100 14.810 26.516 5.146 1.00 0.00 H new ATOM 0 HA3 GLY A 100 15.710 25.650 6.375 1.00 0.00 H new TER 1440 GLY A 100