USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 598 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 42 CYS SG : rot 180:sc= 0.279 USER MOD Set 1.2: A 47 GLN : amide:sc= -0.108 K(o=0.17,f=-3.4!) USER MOD Single : A 1 GLU N :NH3+ -161:sc= -0.0372 (180deg=-0.543) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -153:sc= -1.32 (180deg=-2.01) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 10 THR OG1 : rot -119:sc= 0.795 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.0775 K(o=-0.077,f=-0.96) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0649 K(o=-0.065,f=-0.57) USER MOD Single : A 37 SER OG : rot 47:sc= 0.7 USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -7.35! C(o=-7.4!,f=-9.6!) USER MOD Single : A 46 GLN : amide:sc= -0.237 K(o=-0.24,f=-2.1!) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0.0143 USER MOD Single : A 63 SER OG : rot -97:sc= 0.985 USER MOD Single : A 68 SER OG : rot -91:sc= 0.394 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 8.324 -29.546 6.344 1.00 0.00 N ATOM 2 CA GLU A 1 8.238 -30.201 5.008 1.00 0.00 C ATOM 3 C GLU A 1 8.027 -31.700 5.192 1.00 0.00 C ATOM 4 O GLU A 1 8.989 -32.466 5.268 1.00 0.00 O ATOM 5 CB GLU A 1 9.534 -29.947 4.235 1.00 0.00 C ATOM 6 CG GLU A 1 9.703 -28.446 3.999 1.00 0.00 C ATOM 7 CD GLU A 1 10.954 -28.186 3.166 1.00 0.00 C ATOM 8 OE1 GLU A 1 11.710 -29.122 2.962 1.00 0.00 O ATOM 9 OE2 GLU A 1 11.138 -27.056 2.745 1.00 0.00 O ATOM 0 H1 GLU A 1 8.145 -28.527 6.243 1.00 0.00 H new ATOM 0 H2 GLU A 1 7.614 -29.961 6.980 1.00 0.00 H new ATOM 0 H3 GLU A 1 9.273 -29.693 6.742 1.00 0.00 H new ATOM 0 HA GLU A 1 7.399 -29.788 4.448 1.00 0.00 H new ATOM 0 HB2 GLU A 1 10.385 -30.336 4.794 1.00 0.00 H new ATOM 0 HB3 GLU A 1 9.511 -30.475 3.282 1.00 0.00 H new ATOM 0 HG2 GLU A 1 8.826 -28.049 3.487 1.00 0.00 H new ATOM 0 HG3 GLU A 1 9.777 -27.926 4.954 1.00 0.00 H new ATOM 18 N SER A 2 6.765 -32.111 5.261 1.00 0.00 N ATOM 19 CA SER A 2 6.439 -33.523 5.436 1.00 0.00 C ATOM 20 C SER A 2 5.278 -33.919 4.524 1.00 0.00 C ATOM 21 O SER A 2 4.550 -33.060 4.026 1.00 0.00 O ATOM 22 CB SER A 2 6.063 -33.792 6.893 1.00 0.00 C ATOM 23 OG SER A 2 6.042 -32.563 7.607 1.00 0.00 O ATOM 0 H SER A 2 5.956 -31.492 5.199 1.00 0.00 H new ATOM 0 HA SER A 2 7.313 -34.118 5.172 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.086 -34.273 6.946 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.781 -34.477 7.345 1.00 0.00 H new ATOM 0 HG SER A 2 5.800 -32.732 8.541 1.00 0.00 H new ATOM 29 N PRO A 3 5.093 -35.196 4.299 1.00 0.00 N ATOM 30 CA PRO A 3 3.994 -35.706 3.427 1.00 0.00 C ATOM 31 C PRO A 3 2.619 -35.505 4.058 1.00 0.00 C ATOM 32 O PRO A 3 1.594 -35.625 3.388 1.00 0.00 O ATOM 33 CB PRO A 3 4.309 -37.195 3.269 1.00 0.00 C ATOM 34 CG PRO A 3 5.145 -37.555 4.453 1.00 0.00 C ATOM 35 CD PRO A 3 5.908 -36.291 4.850 1.00 0.00 C ATOM 0 HA PRO A 3 3.950 -35.175 2.476 1.00 0.00 H new ATOM 0 HB2 PRO A 3 3.395 -37.788 3.239 1.00 0.00 H new ATOM 0 HB3 PRO A 3 4.844 -37.386 2.339 1.00 0.00 H new ATOM 0 HG2 PRO A 3 4.521 -37.905 5.275 1.00 0.00 H new ATOM 0 HG3 PRO A 3 5.835 -38.363 4.209 1.00 0.00 H new ATOM 0 HD2 PRO A 3 6.008 -36.209 5.932 1.00 0.00 H new ATOM 0 HD3 PRO A 3 6.916 -36.286 4.435 1.00 0.00 H new ATOM 43 N LYS A 4 2.605 -35.203 5.352 1.00 0.00 N ATOM 44 CA LYS A 4 1.350 -34.990 6.065 1.00 0.00 C ATOM 45 C LYS A 4 0.747 -33.636 5.701 1.00 0.00 C ATOM 46 O LYS A 4 -0.361 -33.307 6.124 1.00 0.00 O ATOM 47 CB LYS A 4 1.589 -35.057 7.574 1.00 0.00 C ATOM 48 CG LYS A 4 2.141 -36.436 7.943 1.00 0.00 C ATOM 49 CD LYS A 4 2.065 -36.631 9.460 1.00 0.00 C ATOM 50 CE LYS A 4 2.813 -35.495 10.165 1.00 0.00 C ATOM 51 NZ LYS A 4 4.077 -35.198 9.432 1.00 0.00 N ATOM 0 H LYS A 4 3.442 -35.101 5.926 1.00 0.00 H new ATOM 0 HA LYS A 4 0.651 -35.774 5.773 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.291 -34.280 7.877 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.658 -34.871 8.109 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.570 -37.215 7.437 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.173 -36.528 7.606 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.024 -36.649 9.782 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.500 -37.592 9.735 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.187 -34.604 10.206 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.035 -35.776 11.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 4.776 -34.801 10.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.452 -36.075 9.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.886 -34.511 8.675 1.00 0.00 H new ATOM 65 N GLU A 5 1.482 -32.857 4.915 1.00 0.00 N ATOM 66 CA GLU A 5 1.008 -31.542 4.502 1.00 0.00 C ATOM 67 C GLU A 5 0.387 -31.610 3.110 1.00 0.00 C ATOM 68 O GLU A 5 0.760 -32.459 2.298 1.00 0.00 O ATOM 69 CB GLU A 5 2.167 -30.544 4.499 1.00 0.00 C ATOM 70 CG GLU A 5 2.732 -30.414 5.915 1.00 0.00 C ATOM 71 CD GLU A 5 3.823 -29.349 5.945 1.00 0.00 C ATOM 72 OE1 GLU A 5 4.204 -28.890 4.882 1.00 0.00 O ATOM 73 OE2 GLU A 5 4.260 -29.008 7.032 1.00 0.00 O ATOM 0 H GLU A 5 2.401 -33.111 4.554 1.00 0.00 H new ATOM 0 HA GLU A 5 0.249 -31.211 5.211 1.00 0.00 H new ATOM 0 HB2 GLU A 5 2.947 -30.878 3.814 1.00 0.00 H new ATOM 0 HB3 GLU A 5 1.824 -29.573 4.142 1.00 0.00 H new ATOM 0 HG2 GLU A 5 1.935 -30.150 6.611 1.00 0.00 H new ATOM 0 HG3 GLU A 5 3.137 -31.371 6.243 1.00 0.00 H new ATOM 80 N HIS A 6 -0.561 -30.711 2.846 1.00 0.00 N ATOM 81 CA HIS A 6 -1.238 -30.668 1.551 1.00 0.00 C ATOM 82 C HIS A 6 -1.120 -29.280 0.931 1.00 0.00 C ATOM 83 O HIS A 6 -1.217 -28.267 1.624 1.00 0.00 O ATOM 84 CB HIS A 6 -2.715 -31.026 1.725 1.00 0.00 C ATOM 85 CG HIS A 6 -2.833 -32.435 2.235 1.00 0.00 C ATOM 86 ND1 HIS A 6 -2.830 -32.734 3.589 1.00 0.00 N ATOM 87 CD2 HIS A 6 -2.957 -33.639 1.586 1.00 0.00 C ATOM 88 CE1 HIS A 6 -2.950 -34.069 3.710 1.00 0.00 C ATOM 89 NE2 HIS A 6 -3.031 -34.669 2.519 1.00 0.00 N ATOM 0 H HIS A 6 -0.877 -30.004 3.510 1.00 0.00 H new ATOM 0 HA HIS A 6 -0.763 -31.391 0.888 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -3.188 -30.335 2.423 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -3.239 -30.927 0.774 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -2.992 -33.767 0.514 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -2.977 -34.592 4.655 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -3.127 -35.667 2.333 1.00 0.00 H new ATOM 98 N ASP A 7 -0.910 -29.242 -0.382 1.00 0.00 N ATOM 99 CA ASP A 7 -0.781 -27.973 -1.091 1.00 0.00 C ATOM 100 C ASP A 7 0.082 -26.996 -0.297 1.00 0.00 C ATOM 101 O ASP A 7 -0.349 -25.885 0.014 1.00 0.00 O ATOM 102 CB ASP A 7 -2.165 -27.364 -1.321 1.00 0.00 C ATOM 103 CG ASP A 7 -2.084 -26.273 -2.384 1.00 0.00 C ATOM 104 OD1 ASP A 7 -1.332 -26.448 -3.329 1.00 0.00 O ATOM 105 OD2 ASP A 7 -2.776 -25.279 -2.239 1.00 0.00 O ATOM 0 H ASP A 7 -0.826 -30.069 -0.973 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.301 -28.162 -2.051 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -2.865 -28.138 -1.635 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -2.548 -26.948 -0.389 1.00 0.00 H new ATOM 110 N PRO A 8 1.285 -27.387 0.030 1.00 0.00 N ATOM 111 CA PRO A 8 2.229 -26.527 0.802 1.00 0.00 C ATOM 112 C PRO A 8 2.714 -25.331 -0.013 1.00 0.00 C ATOM 113 O PRO A 8 3.169 -24.330 0.544 1.00 0.00 O ATOM 114 CB PRO A 8 3.391 -27.465 1.138 1.00 0.00 C ATOM 115 CG PRO A 8 3.342 -28.546 0.110 1.00 0.00 C ATOM 116 CD PRO A 8 1.878 -28.692 -0.301 1.00 0.00 C ATOM 0 HA PRO A 8 1.757 -26.096 1.685 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.344 -26.936 1.106 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.287 -27.874 2.143 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.962 -28.292 -0.750 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.726 -29.483 0.514 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.782 -28.916 -1.363 1.00 0.00 H new ATOM 0 HD3 PRO A 8 1.390 -29.502 0.241 1.00 0.00 H new ATOM 124 N PHE A 9 2.615 -25.443 -1.334 1.00 0.00 N ATOM 125 CA PHE A 9 3.048 -24.366 -2.218 1.00 0.00 C ATOM 126 C PHE A 9 2.298 -23.075 -1.905 1.00 0.00 C ATOM 127 O PHE A 9 2.878 -21.990 -1.937 1.00 0.00 O ATOM 128 CB PHE A 9 2.803 -24.759 -3.676 1.00 0.00 C ATOM 129 CG PHE A 9 3.732 -25.886 -4.058 1.00 0.00 C ATOM 130 CD1 PHE A 9 5.020 -25.602 -4.527 1.00 0.00 C ATOM 131 CD2 PHE A 9 3.305 -27.215 -3.943 1.00 0.00 C ATOM 132 CE1 PHE A 9 5.881 -26.648 -4.880 1.00 0.00 C ATOM 133 CE2 PHE A 9 4.167 -28.260 -4.297 1.00 0.00 C ATOM 134 CZ PHE A 9 5.455 -27.977 -4.765 1.00 0.00 C ATOM 0 H PHE A 9 2.242 -26.262 -1.813 1.00 0.00 H new ATOM 0 HA PHE A 9 4.113 -24.199 -2.058 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.766 -25.067 -3.811 1.00 0.00 H new ATOM 0 HB3 PHE A 9 2.968 -23.901 -4.328 1.00 0.00 H new ATOM 0 HD1 PHE A 9 5.349 -24.577 -4.616 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.311 -27.434 -3.581 1.00 0.00 H new ATOM 0 HE1 PHE A 9 6.875 -26.430 -5.241 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.838 -29.285 -4.209 1.00 0.00 H new ATOM 0 HZ PHE A 9 6.120 -28.783 -5.037 1.00 0.00 H new ATOM 144 N THR A 10 1.008 -23.205 -1.604 1.00 0.00 N ATOM 145 CA THR A 10 0.180 -22.044 -1.289 1.00 0.00 C ATOM 146 C THR A 10 -0.161 -22.015 0.198 1.00 0.00 C ATOM 147 O THR A 10 -0.188 -23.054 0.858 1.00 0.00 O ATOM 148 CB THR A 10 -1.113 -22.087 -2.105 1.00 0.00 C ATOM 149 OG1 THR A 10 -1.936 -23.142 -1.628 1.00 0.00 O ATOM 150 CG2 THR A 10 -0.782 -22.323 -3.579 1.00 0.00 C ATOM 0 H THR A 10 0.516 -24.098 -1.572 1.00 0.00 H new ATOM 0 HA THR A 10 0.741 -21.144 -1.541 1.00 0.00 H new ATOM 0 HB THR A 10 -1.640 -21.138 -2.002 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.091 -23.788 -2.349 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.705 -22.353 -4.159 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.150 -21.513 -3.944 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.255 -23.271 -3.686 1.00 0.00 H new ATOM 158 N TYR A 11 -0.423 -20.814 0.712 1.00 0.00 N ATOM 159 CA TYR A 11 -0.766 -20.642 2.122 1.00 0.00 C ATOM 160 C TYR A 11 -2.215 -20.187 2.266 1.00 0.00 C ATOM 161 O TYR A 11 -2.723 -19.433 1.436 1.00 0.00 O ATOM 162 CB TYR A 11 0.160 -19.607 2.760 1.00 0.00 C ATOM 163 CG TYR A 11 1.594 -20.055 2.612 1.00 0.00 C ATOM 164 CD1 TYR A 11 2.130 -20.992 3.504 1.00 0.00 C ATOM 165 CD2 TYR A 11 2.389 -19.533 1.585 1.00 0.00 C ATOM 166 CE1 TYR A 11 3.459 -21.407 3.368 1.00 0.00 C ATOM 167 CE2 TYR A 11 3.720 -19.948 1.449 1.00 0.00 C ATOM 168 CZ TYR A 11 4.254 -20.885 2.341 1.00 0.00 C ATOM 169 OH TYR A 11 5.565 -21.295 2.208 1.00 0.00 O ATOM 0 H TYR A 11 -0.404 -19.948 0.174 1.00 0.00 H new ATOM 0 HA TYR A 11 -0.644 -21.600 2.628 1.00 0.00 H new ATOM 0 HB2 TYR A 11 0.020 -18.636 2.284 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.087 -19.484 3.815 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.517 -21.394 4.297 1.00 0.00 H new ATOM 0 HD2 TYR A 11 1.976 -18.810 0.897 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.872 -22.130 4.056 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.333 -19.545 0.657 1.00 0.00 H new ATOM 0 HH TYR A 11 5.975 -20.837 1.445 1.00 0.00 H new ATOM 179 N ASP A 12 -2.876 -20.644 3.325 1.00 0.00 N ATOM 180 CA ASP A 12 -4.265 -20.270 3.564 1.00 0.00 C ATOM 181 C ASP A 12 -4.412 -18.751 3.552 1.00 0.00 C ATOM 182 O ASP A 12 -5.426 -18.218 3.102 1.00 0.00 O ATOM 183 CB ASP A 12 -4.730 -20.824 4.912 1.00 0.00 C ATOM 184 CG ASP A 12 -4.760 -22.349 4.868 1.00 0.00 C ATOM 185 OD1 ASP A 12 -4.682 -22.890 3.777 1.00 0.00 O ATOM 186 OD2 ASP A 12 -4.858 -22.952 5.924 1.00 0.00 O ATOM 0 H ASP A 12 -2.476 -21.268 4.026 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.883 -20.691 2.771 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.060 -20.488 5.703 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.722 -20.439 5.150 1.00 0.00 H new ATOM 191 N TYR A 13 -3.386 -18.063 4.042 1.00 0.00 N ATOM 192 CA TYR A 13 -3.397 -16.604 4.080 1.00 0.00 C ATOM 193 C TYR A 13 -2.987 -16.040 2.723 1.00 0.00 C ATOM 194 O TYR A 13 -2.395 -14.966 2.639 1.00 0.00 O ATOM 195 CB TYR A 13 -2.429 -16.102 5.155 1.00 0.00 C ATOM 196 CG TYR A 13 -2.896 -16.559 6.519 1.00 0.00 C ATOM 197 CD1 TYR A 13 -2.805 -17.911 6.874 1.00 0.00 C ATOM 198 CD2 TYR A 13 -3.417 -15.631 7.431 1.00 0.00 C ATOM 199 CE1 TYR A 13 -3.236 -18.335 8.137 1.00 0.00 C ATOM 200 CE2 TYR A 13 -3.847 -16.055 8.695 1.00 0.00 C ATOM 201 CZ TYR A 13 -3.757 -17.407 9.047 1.00 0.00 C ATOM 202 OH TYR A 13 -4.180 -17.827 10.293 1.00 0.00 O ATOM 0 H TYR A 13 -2.539 -18.490 4.417 1.00 0.00 H new ATOM 0 HA TYR A 13 -4.407 -16.268 4.317 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.426 -16.480 4.959 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.371 -15.014 5.126 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.402 -18.627 6.173 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.487 -14.588 7.159 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.167 -19.378 8.409 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -4.248 -15.339 9.398 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.513 -17.058 10.802 1.00 0.00 H new ATOM 212 N GLN A 14 -3.295 -16.780 1.665 1.00 0.00 N ATOM 213 CA GLN A 14 -2.939 -16.356 0.314 1.00 0.00 C ATOM 214 C GLN A 14 -3.398 -14.925 0.041 1.00 0.00 C ATOM 215 O GLN A 14 -2.611 -14.088 -0.399 1.00 0.00 O ATOM 216 CB GLN A 14 -3.581 -17.298 -0.708 1.00 0.00 C ATOM 217 CG GLN A 14 -2.498 -18.132 -1.398 1.00 0.00 C ATOM 218 CD GLN A 14 -1.653 -17.242 -2.302 1.00 0.00 C ATOM 219 OE1 GLN A 14 -2.179 -16.335 -2.948 1.00 0.00 O ATOM 220 NE2 GLN A 14 -0.367 -17.447 -2.388 1.00 0.00 N ATOM 0 H GLN A 14 -3.788 -17.672 1.714 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.853 -16.391 0.225 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.297 -17.954 -0.212 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -4.136 -16.722 -1.448 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -1.865 -18.611 -0.651 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.958 -18.928 -1.984 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.067 -18.199 -1.852 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.205 -16.855 -2.991 1.00 0.00 H new ATOM 229 N SER A 15 -4.673 -14.650 0.292 1.00 0.00 N ATOM 230 CA SER A 15 -5.213 -13.314 0.056 1.00 0.00 C ATOM 231 C SER A 15 -4.924 -12.380 1.230 1.00 0.00 C ATOM 232 O SER A 15 -4.781 -11.171 1.052 1.00 0.00 O ATOM 233 CB SER A 15 -6.722 -13.398 -0.167 1.00 0.00 C ATOM 234 OG SER A 15 -7.356 -13.763 1.052 1.00 0.00 O ATOM 0 H SER A 15 -5.346 -15.325 0.655 1.00 0.00 H new ATOM 0 HA SER A 15 -4.728 -12.908 -0.832 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.104 -12.439 -0.516 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.947 -14.131 -0.941 1.00 0.00 H new ATOM 0 HG SER A 15 -8.325 -13.816 0.914 1.00 0.00 H new ATOM 240 N LEU A 16 -4.854 -12.944 2.431 1.00 0.00 N ATOM 241 CA LEU A 16 -4.598 -12.147 3.628 1.00 0.00 C ATOM 242 C LEU A 16 -3.108 -11.871 3.807 1.00 0.00 C ATOM 243 O LEU A 16 -2.710 -11.165 4.734 1.00 0.00 O ATOM 244 CB LEU A 16 -5.132 -12.878 4.860 1.00 0.00 C ATOM 245 CG LEU A 16 -5.565 -11.859 5.913 1.00 0.00 C ATOM 246 CD1 LEU A 16 -7.008 -11.427 5.645 1.00 0.00 C ATOM 247 CD2 LEU A 16 -5.475 -12.495 7.301 1.00 0.00 C ATOM 0 H LEU A 16 -4.970 -13.943 2.602 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.110 -11.192 3.511 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.975 -13.510 4.583 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.363 -13.533 5.268 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.911 -10.988 5.866 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.316 -10.700 6.397 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.075 -10.976 4.655 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -7.663 -12.297 5.692 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.783 -11.770 8.054 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.130 -13.365 7.346 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.448 -12.804 7.494 1.00 0.00 H new ATOM 259 N GLN A 17 -2.288 -12.436 2.932 1.00 0.00 N ATOM 260 CA GLN A 17 -0.842 -12.242 3.022 1.00 0.00 C ATOM 261 C GLN A 17 -0.439 -10.845 2.546 1.00 0.00 C ATOM 262 O GLN A 17 0.339 -10.157 3.207 1.00 0.00 O ATOM 263 CB GLN A 17 -0.121 -13.301 2.180 1.00 0.00 C ATOM 264 CG GLN A 17 0.381 -14.434 3.083 1.00 0.00 C ATOM 265 CD GLN A 17 1.652 -14.001 3.805 1.00 0.00 C ATOM 266 OE1 GLN A 17 2.553 -13.433 3.189 1.00 0.00 O ATOM 267 NE2 GLN A 17 1.777 -14.240 5.081 1.00 0.00 N ATOM 0 H GLN A 17 -2.592 -13.027 2.158 1.00 0.00 H new ATOM 0 HA GLN A 17 -0.552 -12.344 4.068 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -0.798 -13.700 1.424 1.00 0.00 H new ATOM 0 HB3 GLN A 17 0.717 -12.848 1.650 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -0.387 -14.699 3.809 1.00 0.00 H new ATOM 0 HG3 GLN A 17 0.577 -15.325 2.487 1.00 0.00 H new ATOM 0 HE21 GLN A 17 1.027 -14.711 5.587 1.00 0.00 H new ATOM 0 HE22 GLN A 17 2.624 -13.956 5.572 1.00 0.00 H new ATOM 276 N ILE A 18 -0.959 -10.436 1.391 1.00 0.00 N ATOM 277 CA ILE A 18 -0.630 -9.123 0.835 1.00 0.00 C ATOM 278 C ILE A 18 -1.680 -8.084 1.226 1.00 0.00 C ATOM 279 O ILE A 18 -1.442 -6.881 1.124 1.00 0.00 O ATOM 280 CB ILE A 18 -0.544 -9.220 -0.695 1.00 0.00 C ATOM 281 CG1 ILE A 18 0.251 -10.472 -1.086 1.00 0.00 C ATOM 282 CG2 ILE A 18 0.152 -7.980 -1.264 1.00 0.00 C ATOM 283 CD1 ILE A 18 1.576 -10.513 -0.320 1.00 0.00 C ATOM 0 H ILE A 18 -1.604 -10.988 0.825 1.00 0.00 H new ATOM 0 HA ILE A 18 0.332 -8.808 1.240 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.553 -9.282 -1.102 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.333 -11.366 -0.867 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.442 -10.471 -2.159 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.207 -8.060 -2.350 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.415 -7.089 -0.994 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.159 -7.908 -0.854 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.133 -11.406 -0.604 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.163 -9.627 -0.561 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.376 -10.536 0.751 1.00 0.00 H new ATOM 295 N GLY A 19 -2.842 -8.550 1.666 1.00 0.00 N ATOM 296 CA GLY A 19 -3.917 -7.645 2.061 1.00 0.00 C ATOM 297 C GLY A 19 -3.399 -6.494 2.923 1.00 0.00 C ATOM 298 O GLY A 19 -2.991 -5.453 2.405 1.00 0.00 O ATOM 0 H GLY A 19 -3.065 -9.541 1.758 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.400 -7.244 1.170 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.676 -8.200 2.613 1.00 0.00 H new ATOM 302 N GLY A 20 -3.439 -6.691 4.239 1.00 0.00 N ATOM 303 CA GLY A 20 -2.992 -5.673 5.190 1.00 0.00 C ATOM 304 C GLY A 20 -1.797 -4.882 4.665 1.00 0.00 C ATOM 305 O GLY A 20 -1.616 -3.716 5.014 1.00 0.00 O ATOM 0 H GLY A 20 -3.778 -7.550 4.673 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.814 -4.989 5.401 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.724 -6.151 6.132 1.00 0.00 H new ATOM 309 N LEU A 21 -0.977 -5.521 3.840 1.00 0.00 N ATOM 310 CA LEU A 21 0.205 -4.860 3.294 1.00 0.00 C ATOM 311 C LEU A 21 -0.162 -3.788 2.268 1.00 0.00 C ATOM 312 O LEU A 21 0.349 -2.668 2.323 1.00 0.00 O ATOM 313 CB LEU A 21 1.121 -5.897 2.637 1.00 0.00 C ATOM 314 CG LEU A 21 2.237 -6.283 3.607 1.00 0.00 C ATOM 315 CD1 LEU A 21 1.627 -6.831 4.899 1.00 0.00 C ATOM 316 CD2 LEU A 21 3.113 -7.357 2.964 1.00 0.00 C ATOM 0 H LEU A 21 -1.105 -6.486 3.536 1.00 0.00 H new ATOM 0 HA LEU A 21 0.720 -4.372 4.122 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.546 -6.780 2.358 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.547 -5.491 1.719 1.00 0.00 H new ATOM 0 HG LEU A 21 2.840 -5.405 3.837 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.424 -7.106 5.590 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.998 -6.068 5.357 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.024 -7.710 4.672 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.911 -7.636 3.652 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.506 -8.234 2.737 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.548 -6.969 2.043 1.00 0.00 H new ATOM 328 N VAL A 22 -1.026 -4.138 1.321 1.00 0.00 N ATOM 329 CA VAL A 22 -1.422 -3.196 0.276 1.00 0.00 C ATOM 330 C VAL A 22 -2.261 -2.045 0.831 1.00 0.00 C ATOM 331 O VAL A 22 -1.990 -0.878 0.541 1.00 0.00 O ATOM 332 CB VAL A 22 -2.221 -3.932 -0.802 1.00 0.00 C ATOM 333 CG1 VAL A 22 -2.571 -2.963 -1.929 1.00 0.00 C ATOM 334 CG2 VAL A 22 -1.381 -5.081 -1.364 1.00 0.00 C ATOM 0 H VAL A 22 -1.463 -5.057 1.254 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.512 -2.772 -0.149 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.137 -4.329 -0.365 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.140 -3.488 -2.696 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.169 -2.143 -1.531 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.654 -2.566 -2.365 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.950 -5.606 -2.132 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.465 -4.683 -1.800 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.130 -5.774 -0.561 1.00 0.00 H new ATOM 344 N ILE A 23 -3.286 -2.371 1.610 1.00 0.00 N ATOM 345 CA ILE A 23 -4.162 -1.344 2.175 1.00 0.00 C ATOM 346 C ILE A 23 -3.408 -0.431 3.141 1.00 0.00 C ATOM 347 O ILE A 23 -3.644 0.778 3.172 1.00 0.00 O ATOM 348 CB ILE A 23 -5.339 -2.004 2.901 1.00 0.00 C ATOM 349 CG1 ILE A 23 -4.804 -2.986 3.946 1.00 0.00 C ATOM 350 CG2 ILE A 23 -6.210 -2.759 1.892 1.00 0.00 C ATOM 351 CD1 ILE A 23 -5.969 -3.756 4.576 1.00 0.00 C ATOM 0 H ILE A 23 -3.532 -3.328 1.865 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.532 -0.732 1.352 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.938 -1.237 3.391 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.105 -3.681 3.481 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.253 -2.447 4.717 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.046 -3.227 2.412 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.591 -2.061 1.146 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.613 -3.527 1.399 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.584 -4.454 5.319 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.651 -3.055 5.056 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.502 -4.308 3.801 1.00 0.00 H new ATOM 363 N ALA A 24 -2.512 -1.008 3.933 1.00 0.00 N ATOM 364 CA ALA A 24 -1.747 -0.224 4.899 1.00 0.00 C ATOM 365 C ALA A 24 -0.895 0.824 4.189 1.00 0.00 C ATOM 366 O ALA A 24 -0.898 2.003 4.556 1.00 0.00 O ATOM 367 CB ALA A 24 -0.849 -1.148 5.723 1.00 0.00 C ATOM 0 H ALA A 24 -2.298 -2.005 3.927 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.447 0.287 5.561 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.281 -0.557 6.442 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.464 -1.874 6.255 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.161 -1.673 5.060 1.00 0.00 H new ATOM 373 N GLY A 25 -0.168 0.386 3.166 1.00 0.00 N ATOM 374 CA GLY A 25 0.684 1.290 2.405 1.00 0.00 C ATOM 375 C GLY A 25 -0.135 2.410 1.771 1.00 0.00 C ATOM 376 O GLY A 25 0.329 3.542 1.661 1.00 0.00 O ATOM 0 H GLY A 25 -0.152 -0.583 2.847 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.444 1.716 3.060 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.208 0.734 1.628 1.00 0.00 H new ATOM 380 N ILE A 26 -1.350 2.082 1.343 1.00 0.00 N ATOM 381 CA ILE A 26 -2.215 3.070 0.711 1.00 0.00 C ATOM 382 C ILE A 26 -2.566 4.208 1.672 1.00 0.00 C ATOM 383 O ILE A 26 -2.575 5.375 1.280 1.00 0.00 O ATOM 384 CB ILE A 26 -3.498 2.403 0.217 1.00 0.00 C ATOM 385 CG1 ILE A 26 -3.187 1.597 -1.049 1.00 0.00 C ATOM 386 CG2 ILE A 26 -4.541 3.479 -0.098 1.00 0.00 C ATOM 387 CD1 ILE A 26 -4.378 0.704 -1.398 1.00 0.00 C ATOM 0 H ILE A 26 -1.754 1.149 1.421 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.671 3.494 -0.133 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.890 1.737 0.986 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.971 2.272 -1.877 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.297 0.988 -0.894 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.457 3.005 -0.451 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.754 4.055 0.803 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.156 4.144 -0.871 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.153 0.133 -2.299 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -4.573 0.019 -0.573 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.258 1.323 -1.572 1.00 0.00 H new ATOM 399 N LEU A 27 -2.872 3.866 2.923 1.00 0.00 N ATOM 400 CA LEU A 27 -3.239 4.883 3.911 1.00 0.00 C ATOM 401 C LEU A 27 -2.075 5.840 4.176 1.00 0.00 C ATOM 402 O LEU A 27 -2.250 7.058 4.163 1.00 0.00 O ATOM 403 CB LEU A 27 -3.660 4.205 5.222 1.00 0.00 C ATOM 404 CG LEU A 27 -4.238 5.244 6.198 1.00 0.00 C ATOM 405 CD1 LEU A 27 -5.539 5.840 5.643 1.00 0.00 C ATOM 406 CD2 LEU A 27 -4.531 4.567 7.541 1.00 0.00 C ATOM 0 H LEU A 27 -2.874 2.908 3.274 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.073 5.461 3.512 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.403 3.434 5.018 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.802 3.709 5.675 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.510 6.044 6.329 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.933 6.573 6.347 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.338 6.326 4.688 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.271 5.045 5.499 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.941 5.300 8.236 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.253 3.763 7.394 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.608 4.156 7.950 1.00 0.00 H new ATOM 418 N PHE A 28 -0.889 5.285 4.406 1.00 0.00 N ATOM 419 CA PHE A 28 0.294 6.101 4.663 1.00 0.00 C ATOM 420 C PHE A 28 0.718 6.842 3.399 1.00 0.00 C ATOM 421 O PHE A 28 1.152 7.986 3.464 1.00 0.00 O ATOM 422 CB PHE A 28 1.460 5.232 5.143 1.00 0.00 C ATOM 423 CG PHE A 28 0.961 4.061 5.964 1.00 0.00 C ATOM 424 CD1 PHE A 28 -0.145 4.201 6.816 1.00 0.00 C ATOM 425 CD2 PHE A 28 1.623 2.831 5.877 1.00 0.00 C ATOM 426 CE1 PHE A 28 -0.586 3.110 7.573 1.00 0.00 C ATOM 427 CE2 PHE A 28 1.184 1.743 6.635 1.00 0.00 C ATOM 428 CZ PHE A 28 0.077 1.880 7.483 1.00 0.00 C ATOM 0 H PHE A 28 -0.721 4.279 4.420 1.00 0.00 H new ATOM 0 HA PHE A 28 0.037 6.821 5.440 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.023 4.865 4.284 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.145 5.834 5.740 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.655 5.150 6.887 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.475 2.723 5.222 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.439 3.217 8.227 1.00 0.00 H new ATOM 0 HE2 PHE A 28 1.698 0.796 6.567 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.264 1.038 8.067 1.00 0.00 H new ATOM 438 N ILE A 29 0.579 6.185 2.253 1.00 0.00 N ATOM 439 CA ILE A 29 0.944 6.802 0.981 1.00 0.00 C ATOM 440 C ILE A 29 0.078 8.025 0.770 1.00 0.00 C ATOM 441 O ILE A 29 0.561 9.097 0.408 1.00 0.00 O ATOM 442 CB ILE A 29 0.748 5.817 -0.172 1.00 0.00 C ATOM 443 CG1 ILE A 29 1.987 4.928 -0.294 1.00 0.00 C ATOM 444 CG2 ILE A 29 0.539 6.585 -1.479 1.00 0.00 C ATOM 445 CD1 ILE A 29 1.679 3.739 -1.205 1.00 0.00 C ATOM 0 H ILE A 29 0.220 5.233 2.177 1.00 0.00 H new ATOM 0 HA ILE A 29 1.995 7.088 1.006 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.128 5.199 0.025 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.820 5.502 -0.698 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.292 4.575 0.691 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.400 5.879 -2.298 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.344 7.218 -1.392 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.412 7.206 -1.680 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.563 3.107 -1.290 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.858 3.159 -0.782 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.395 4.102 -2.193 1.00 0.00 H new ATOM 457 N LEU A 30 -1.199 7.866 1.079 1.00 0.00 N ATOM 458 CA LEU A 30 -2.124 8.957 1.013 1.00 0.00 C ATOM 459 C LEU A 30 -1.654 9.934 2.050 1.00 0.00 C ATOM 460 O LEU A 30 -1.769 11.146 1.903 1.00 0.00 O ATOM 461 CB LEU A 30 -3.548 8.486 1.325 1.00 0.00 C ATOM 462 CG LEU A 30 -4.382 8.478 0.042 1.00 0.00 C ATOM 463 CD1 LEU A 30 -5.667 7.680 0.269 1.00 0.00 C ATOM 464 CD2 LEU A 30 -4.740 9.917 -0.342 1.00 0.00 C ATOM 0 H LEU A 30 -1.609 6.981 1.378 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.155 9.399 0.017 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.524 7.487 1.760 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.005 9.144 2.063 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.806 8.017 -0.760 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.259 7.676 -0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.415 6.655 0.543 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.243 8.139 1.072 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.334 9.913 -1.256 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.315 10.376 0.462 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.826 10.488 -0.506 1.00 0.00 H new ATOM 476 N GLY A 31 -1.121 9.353 3.121 1.00 0.00 N ATOM 477 CA GLY A 31 -0.613 10.144 4.242 1.00 0.00 C ATOM 478 C GLY A 31 0.499 11.107 3.809 1.00 0.00 C ATOM 479 O GLY A 31 0.441 12.302 4.099 1.00 0.00 O ATOM 0 H GLY A 31 -1.029 8.344 3.238 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.431 10.711 4.686 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.233 9.475 5.015 1.00 0.00 H new ATOM 483 N ILE A 32 1.517 10.579 3.130 1.00 0.00 N ATOM 484 CA ILE A 32 2.642 11.403 2.686 1.00 0.00 C ATOM 485 C ILE A 32 2.196 12.453 1.674 1.00 0.00 C ATOM 486 O ILE A 32 2.584 13.617 1.768 1.00 0.00 O ATOM 487 CB ILE A 32 3.719 10.516 2.053 1.00 0.00 C ATOM 488 CG1 ILE A 32 4.204 9.492 3.084 1.00 0.00 C ATOM 489 CG2 ILE A 32 4.898 11.378 1.597 1.00 0.00 C ATOM 490 CD1 ILE A 32 5.058 8.430 2.390 1.00 0.00 C ATOM 0 H ILE A 32 1.587 9.593 2.877 1.00 0.00 H new ATOM 0 HA ILE A 32 3.046 11.915 3.559 1.00 0.00 H new ATOM 0 HB ILE A 32 3.299 9.998 1.191 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.785 9.990 3.860 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.351 9.023 3.575 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.661 10.742 1.148 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.554 12.106 0.863 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.320 11.900 2.455 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.402 7.702 3.125 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.463 7.924 1.630 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.919 8.906 1.920 1.00 0.00 H new ATOM 502 N LEU A 33 1.374 12.043 0.713 1.00 0.00 N ATOM 503 CA LEU A 33 0.888 12.976 -0.297 1.00 0.00 C ATOM 504 C LEU A 33 0.019 14.039 0.360 1.00 0.00 C ATOM 505 O LEU A 33 0.160 15.232 0.091 1.00 0.00 O ATOM 506 CB LEU A 33 0.073 12.231 -1.359 1.00 0.00 C ATOM 507 CG LEU A 33 0.954 11.200 -2.077 1.00 0.00 C ATOM 508 CD1 LEU A 33 0.102 10.411 -3.072 1.00 0.00 C ATOM 509 CD2 LEU A 33 2.086 11.905 -2.834 1.00 0.00 C ATOM 0 H LEU A 33 1.035 11.086 0.613 1.00 0.00 H new ATOM 0 HA LEU A 33 1.744 13.452 -0.776 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.776 11.732 -0.892 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.331 12.940 -2.081 1.00 0.00 H new ATOM 0 HG LEU A 33 1.384 10.526 -1.336 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.725 9.678 -3.584 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.698 9.898 -2.539 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.329 11.094 -3.804 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.704 11.162 -3.339 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.661 12.586 -3.572 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.699 12.468 -2.130 1.00 0.00 H new ATOM 521 N ILE A 34 -0.877 13.590 1.227 1.00 0.00 N ATOM 522 CA ILE A 34 -1.779 14.503 1.933 1.00 0.00 C ATOM 523 C ILE A 34 -1.002 15.505 2.782 1.00 0.00 C ATOM 524 O ILE A 34 -1.317 16.691 2.785 1.00 0.00 O ATOM 525 CB ILE A 34 -2.729 13.721 2.841 1.00 0.00 C ATOM 526 CG1 ILE A 34 -3.840 13.091 1.999 1.00 0.00 C ATOM 527 CG2 ILE A 34 -3.351 14.671 3.867 1.00 0.00 C ATOM 528 CD1 ILE A 34 -4.544 12.008 2.816 1.00 0.00 C ATOM 0 H ILE A 34 -1.003 12.605 1.461 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.349 15.044 1.177 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.173 12.938 3.356 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.556 13.854 1.692 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.422 12.661 1.089 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.028 14.114 4.515 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.563 15.123 4.469 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.906 15.453 3.349 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.336 11.558 2.218 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.824 11.241 3.100 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.975 12.452 3.713 1.00 0.00 H new ATOM 540 N VAL A 35 0.003 15.025 3.510 1.00 0.00 N ATOM 541 CA VAL A 35 0.792 15.908 4.368 1.00 0.00 C ATOM 542 C VAL A 35 1.393 17.051 3.557 1.00 0.00 C ATOM 543 O VAL A 35 1.236 18.221 3.904 1.00 0.00 O ATOM 544 CB VAL A 35 1.914 15.119 5.042 1.00 0.00 C ATOM 545 CG1 VAL A 35 2.885 16.089 5.718 1.00 0.00 C ATOM 546 CG2 VAL A 35 1.318 14.180 6.093 1.00 0.00 C ATOM 0 H VAL A 35 0.288 14.046 3.525 1.00 0.00 H new ATOM 0 HA VAL A 35 0.131 16.324 5.129 1.00 0.00 H new ATOM 0 HB VAL A 35 2.447 14.534 4.292 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.685 15.527 6.199 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.310 16.758 4.970 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.352 16.674 6.467 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.118 13.617 6.574 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.785 14.765 6.843 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.626 13.488 5.612 1.00 0.00 H new ATOM 556 N LEU A 36 2.076 16.704 2.476 1.00 0.00 N ATOM 557 CA LEU A 36 2.693 17.706 1.618 1.00 0.00 C ATOM 558 C LEU A 36 1.629 18.560 0.934 1.00 0.00 C ATOM 559 O LEU A 36 1.854 19.736 0.647 1.00 0.00 O ATOM 560 CB LEU A 36 3.557 17.021 0.557 1.00 0.00 C ATOM 561 CG LEU A 36 4.610 16.136 1.232 1.00 0.00 C ATOM 562 CD1 LEU A 36 5.425 15.412 0.160 1.00 0.00 C ATOM 563 CD2 LEU A 36 5.548 16.995 2.088 1.00 0.00 C ATOM 0 H LEU A 36 2.217 15.740 2.173 1.00 0.00 H new ATOM 0 HA LEU A 36 3.316 18.352 2.237 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.931 16.418 -0.101 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.045 17.770 -0.066 1.00 0.00 H new ATOM 0 HG LEU A 36 4.109 15.409 1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.175 14.781 0.637 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.762 14.793 -0.445 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.919 16.145 -0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.293 16.357 2.564 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.049 17.728 1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.970 17.512 2.854 1.00 0.00 H new ATOM 575 N SER A 37 0.477 17.954 0.661 1.00 0.00 N ATOM 576 CA SER A 37 -0.611 18.662 -0.009 1.00 0.00 C ATOM 577 C SER A 37 -1.082 19.866 0.807 1.00 0.00 C ATOM 578 O SER A 37 -1.457 20.890 0.240 1.00 0.00 O ATOM 579 CB SER A 37 -1.789 17.716 -0.255 1.00 0.00 C ATOM 580 OG SER A 37 -1.358 16.631 -1.065 1.00 0.00 O ATOM 0 H SER A 37 0.273 16.982 0.891 1.00 0.00 H new ATOM 0 HA SER A 37 -0.229 19.024 -0.964 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.177 17.345 0.694 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.603 18.250 -0.745 1.00 0.00 H new ATOM 0 HG SER A 37 -0.514 16.277 -0.716 1.00 0.00 H new ATOM 586 N ARG A 38 -1.074 19.744 2.134 1.00 0.00 N ATOM 587 CA ARG A 38 -1.521 20.854 2.975 1.00 0.00 C ATOM 588 C ARG A 38 -0.699 22.104 2.685 1.00 0.00 C ATOM 589 O ARG A 38 -1.223 23.217 2.698 1.00 0.00 O ATOM 590 CB ARG A 38 -1.386 20.514 4.463 1.00 0.00 C ATOM 591 CG ARG A 38 -1.929 19.111 4.750 1.00 0.00 C ATOM 592 CD ARG A 38 -3.272 18.906 4.045 1.00 0.00 C ATOM 593 NE ARG A 38 -4.140 20.058 4.263 1.00 0.00 N ATOM 594 CZ ARG A 38 -5.130 20.340 3.421 1.00 0.00 C ATOM 595 NH1 ARG A 38 -5.342 19.574 2.385 1.00 0.00 N ATOM 596 NH2 ARG A 38 -5.890 21.381 3.626 1.00 0.00 N ATOM 0 H ARG A 38 -0.772 18.911 2.640 1.00 0.00 H new ATOM 0 HA ARG A 38 -2.571 21.035 2.744 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.339 20.572 4.761 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.928 21.248 5.059 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.215 18.361 4.411 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.050 18.973 5.824 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.111 18.760 2.977 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.753 18.003 4.421 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.985 20.657 5.074 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.749 18.760 2.222 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.101 19.789 1.738 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.726 21.981 4.434 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.648 21.594 2.978 1.00 0.00 H new ATOM 610 N ARG A 39 0.590 21.916 2.424 1.00 0.00 N ATOM 611 CA ARG A 39 1.468 23.042 2.135 1.00 0.00 C ATOM 612 C ARG A 39 0.964 23.816 0.919 1.00 0.00 C ATOM 613 O ARG A 39 1.125 25.033 0.838 1.00 0.00 O ATOM 614 CB ARG A 39 2.891 22.546 1.872 1.00 0.00 C ATOM 615 CG ARG A 39 3.446 21.884 3.135 1.00 0.00 C ATOM 616 CD ARG A 39 4.912 21.511 2.913 1.00 0.00 C ATOM 617 NE ARG A 39 5.752 22.703 2.957 1.00 0.00 N ATOM 618 CZ ARG A 39 7.053 22.618 3.220 1.00 0.00 C ATOM 619 NH1 ARG A 39 7.598 21.453 3.440 1.00 0.00 N ATOM 620 NH2 ARG A 39 7.785 23.698 3.257 1.00 0.00 N ATOM 0 H ARG A 39 1.046 21.004 2.407 1.00 0.00 H new ATOM 0 HA ARG A 39 1.471 23.705 3.000 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.892 21.835 1.046 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.528 23.379 1.576 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.357 22.563 3.983 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.866 20.994 3.377 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.234 20.803 3.677 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.026 21.014 1.950 1.00 0.00 H new ATOM 0 HE ARG A 39 5.334 23.617 2.783 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.026 20.609 3.410 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.596 21.387 3.642 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.359 24.609 3.084 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.783 23.631 3.459 1.00 0.00 H new ATOM 634 N CYS A 40 0.356 23.099 -0.021 1.00 0.00 N ATOM 635 CA CYS A 40 -0.167 23.726 -1.232 1.00 0.00 C ATOM 636 C CYS A 40 -1.195 24.798 -0.886 1.00 0.00 C ATOM 637 O CYS A 40 -1.160 25.904 -1.426 1.00 0.00 O ATOM 638 CB CYS A 40 -0.815 22.668 -2.128 1.00 0.00 C ATOM 639 SG CYS A 40 -0.798 23.238 -3.847 1.00 0.00 S ATOM 0 H CYS A 40 0.213 22.090 0.031 1.00 0.00 H new ATOM 0 HA CYS A 40 0.663 24.195 -1.760 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.277 21.724 -2.042 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -1.839 22.481 -1.806 1.00 0.00 H new ATOM 0 HG CYS A 40 -1.347 22.338 -4.608 1.00 0.00 H new ATOM 645 N ARG A 41 -2.114 24.462 0.013 1.00 0.00 N ATOM 646 CA ARG A 41 -3.152 25.404 0.420 1.00 0.00 C ATOM 647 C ARG A 41 -2.533 26.692 0.952 1.00 0.00 C ATOM 648 O ARG A 41 -2.971 27.789 0.610 1.00 0.00 O ATOM 649 CB ARG A 41 -4.032 24.770 1.502 1.00 0.00 C ATOM 650 CG ARG A 41 -5.151 25.739 1.896 1.00 0.00 C ATOM 651 CD ARG A 41 -6.100 25.051 2.879 1.00 0.00 C ATOM 652 NE ARG A 41 -6.446 25.962 3.964 1.00 0.00 N ATOM 653 CZ ARG A 41 -6.911 25.508 5.123 1.00 0.00 C ATOM 654 NH1 ARG A 41 -7.076 24.226 5.303 1.00 0.00 N ATOM 655 NH2 ARG A 41 -7.203 26.345 6.081 1.00 0.00 N ATOM 0 H ARG A 41 -2.162 23.552 0.471 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.761 25.645 -0.451 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.459 23.837 1.135 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.429 24.523 2.375 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.727 26.635 2.350 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.698 26.059 1.009 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.004 24.731 2.360 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.630 24.154 3.283 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.329 26.966 3.831 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.848 23.572 4.554 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.433 23.878 6.193 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.074 27.347 5.940 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -7.560 25.997 6.971 1.00 0.00 H new ATOM 669 N CYS A 42 -1.518 26.553 1.796 1.00 0.00 N ATOM 670 CA CYS A 42 -0.857 27.717 2.372 1.00 0.00 C ATOM 671 C CYS A 42 0.069 28.379 1.356 1.00 0.00 C ATOM 672 O CYS A 42 0.202 29.603 1.328 1.00 0.00 O ATOM 673 CB CYS A 42 -0.052 27.300 3.606 1.00 0.00 C ATOM 674 SG CYS A 42 -1.100 27.416 5.078 1.00 0.00 S ATOM 0 H CYS A 42 -1.138 25.655 2.095 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.624 28.436 2.660 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.314 26.280 3.487 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.822 27.942 3.717 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.418 27.060 6.126 1.00 0.00 H new ATOM 680 N LYS A 43 0.713 27.566 0.527 1.00 0.00 N ATOM 681 CA LYS A 43 1.630 28.090 -0.479 1.00 0.00 C ATOM 682 C LYS A 43 0.882 28.684 -1.669 1.00 0.00 C ATOM 683 O LYS A 43 1.418 29.531 -2.380 1.00 0.00 O ATOM 684 CB LYS A 43 2.554 26.977 -0.978 1.00 0.00 C ATOM 685 CG LYS A 43 3.679 26.744 0.032 1.00 0.00 C ATOM 686 CD LYS A 43 4.606 25.646 -0.489 1.00 0.00 C ATOM 687 CE LYS A 43 5.723 25.393 0.525 1.00 0.00 C ATOM 688 NZ LYS A 43 7.021 25.260 -0.193 1.00 0.00 N ATOM 0 H LYS A 43 0.619 26.550 0.530 1.00 0.00 H new ATOM 0 HA LYS A 43 2.214 28.880 -0.007 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.986 26.058 -1.122 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.973 27.247 -1.947 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.240 27.666 0.188 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.263 26.457 0.998 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.041 24.729 -0.659 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.032 25.940 -1.448 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.773 26.214 1.240 1.00 0.00 H new ATOM 0 HE3 LYS A 43 5.515 24.487 1.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.782 25.088 0.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.969 24.463 -0.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.219 26.136 -0.717 1.00 0.00 H new ATOM 702 N PHE A 44 -0.347 28.230 -1.898 1.00 0.00 N ATOM 703 CA PHE A 44 -1.118 28.731 -3.031 1.00 0.00 C ATOM 704 C PHE A 44 -1.452 30.210 -2.860 1.00 0.00 C ATOM 705 O PHE A 44 -1.204 30.996 -3.769 1.00 0.00 O ATOM 706 CB PHE A 44 -2.416 27.928 -3.165 1.00 0.00 C ATOM 707 CG PHE A 44 -3.240 28.482 -4.304 1.00 0.00 C ATOM 708 CD1 PHE A 44 -2.786 28.352 -5.622 1.00 0.00 C ATOM 709 CD2 PHE A 44 -4.459 29.124 -4.044 1.00 0.00 C ATOM 710 CE1 PHE A 44 -3.548 28.866 -6.679 1.00 0.00 C ATOM 711 CE2 PHE A 44 -5.218 29.635 -5.101 1.00 0.00 C ATOM 712 CZ PHE A 44 -4.764 29.507 -6.419 1.00 0.00 C ATOM 0 H PHE A 44 -0.822 27.531 -1.327 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.514 28.617 -3.931 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -2.188 26.877 -3.345 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -2.983 27.977 -2.235 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -1.848 27.855 -5.824 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.811 29.224 -3.028 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.197 28.767 -7.695 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -6.157 30.130 -4.900 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.352 29.903 -7.234 1.00 0.00 H new ATOM 722 N ASN A 45 -1.988 30.554 -1.678 1.00 0.00 N ATOM 723 CA ASN A 45 -2.371 31.934 -1.304 1.00 0.00 C ATOM 724 C ASN A 45 -3.667 31.905 -0.498 1.00 0.00 C ATOM 725 O ASN A 45 -4.327 32.932 -0.337 1.00 0.00 O ATOM 726 CB ASN A 45 -2.598 32.860 -2.514 1.00 0.00 C ATOM 727 CG ASN A 45 -3.509 32.190 -3.539 1.00 0.00 C ATOM 728 OD1 ASN A 45 -4.524 31.596 -3.172 1.00 0.00 O ATOM 729 ND2 ASN A 45 -3.210 32.254 -4.809 1.00 0.00 N ATOM 0 H ASN A 45 -2.172 29.874 -0.941 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.536 32.330 -0.726 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.043 33.798 -2.182 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.641 33.106 -2.975 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -3.817 31.812 -5.499 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.369 32.746 -5.111 1.00 0.00 H new ATOM 736 N GLN A 46 -4.036 30.725 -0.007 1.00 0.00 N ATOM 737 CA GLN A 46 -5.269 30.586 0.764 1.00 0.00 C ATOM 738 C GLN A 46 -5.256 31.515 1.972 1.00 0.00 C ATOM 739 O GLN A 46 -6.275 32.114 2.314 1.00 0.00 O ATOM 740 CB GLN A 46 -5.437 29.138 1.229 1.00 0.00 C ATOM 741 CG GLN A 46 -6.876 28.919 1.700 1.00 0.00 C ATOM 742 CD GLN A 46 -7.812 28.862 0.499 1.00 0.00 C ATOM 743 OE1 GLN A 46 -7.366 28.641 -0.627 1.00 0.00 O ATOM 744 NE2 GLN A 46 -9.093 29.048 0.672 1.00 0.00 N ATOM 0 H GLN A 46 -3.507 29.861 -0.127 1.00 0.00 H new ATOM 0 HA GLN A 46 -6.107 30.859 0.122 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -5.201 28.453 0.414 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -4.741 28.922 2.039 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.944 27.992 2.270 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -7.176 29.726 2.368 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -9.460 29.231 1.606 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -9.726 29.010 -0.127 1.00 0.00 H new ATOM 753 N GLN A 47 -4.099 31.637 2.610 1.00 0.00 N ATOM 754 CA GLN A 47 -3.975 32.507 3.772 1.00 0.00 C ATOM 755 C GLN A 47 -4.308 33.943 3.389 1.00 0.00 C ATOM 756 O GLN A 47 -4.870 34.697 4.183 1.00 0.00 O ATOM 757 CB GLN A 47 -2.551 32.442 4.327 1.00 0.00 C ATOM 758 CG GLN A 47 -2.255 31.025 4.817 1.00 0.00 C ATOM 759 CD GLN A 47 -2.826 30.827 6.217 1.00 0.00 C ATOM 760 OE1 GLN A 47 -3.753 31.531 6.617 1.00 0.00 O ATOM 761 NE2 GLN A 47 -2.322 29.905 6.992 1.00 0.00 N ATOM 0 H GLN A 47 -3.242 31.151 2.346 1.00 0.00 H new ATOM 0 HA GLN A 47 -4.674 32.169 4.537 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.836 32.727 3.555 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.437 33.152 5.146 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.689 30.297 4.132 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.179 30.852 4.826 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.554 29.323 6.659 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -2.696 29.767 7.931 1.00 0.00 H new ATOM 770 N GLN A 48 -3.955 34.311 2.162 1.00 0.00 N ATOM 771 CA GLN A 48 -4.214 35.657 1.666 1.00 0.00 C ATOM 772 C GLN A 48 -5.666 35.800 1.222 1.00 0.00 C ATOM 773 O GLN A 48 -6.184 36.912 1.125 1.00 0.00 O ATOM 774 CB GLN A 48 -3.286 35.965 0.490 1.00 0.00 C ATOM 775 CG GLN A 48 -1.831 35.926 0.965 1.00 0.00 C ATOM 776 CD GLN A 48 -0.890 36.166 -0.210 1.00 0.00 C ATOM 777 OE1 GLN A 48 -1.323 36.176 -1.362 1.00 0.00 O ATOM 778 NE2 GLN A 48 0.381 36.360 0.014 1.00 0.00 N ATOM 0 H GLN A 48 -3.489 33.697 1.494 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.026 36.363 2.475 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.439 35.238 -0.308 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.519 36.946 0.076 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -1.670 36.685 1.731 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.615 34.960 1.422 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.738 36.351 0.970 1.00 0.00 H new ATOM 0 HE22 GLN A 48 1.018 36.520 -0.767 1.00 0.00 H new ATOM 787 N ARG A 49 -6.313 34.669 0.945 1.00 0.00 N ATOM 788 CA ARG A 49 -7.706 34.676 0.502 1.00 0.00 C ATOM 789 C ARG A 49 -7.793 35.019 -0.983 1.00 0.00 C ATOM 790 O ARG A 49 -6.860 35.581 -1.555 1.00 0.00 O ATOM 791 CB ARG A 49 -8.518 35.694 1.311 1.00 0.00 C ATOM 792 CG ARG A 49 -9.971 35.222 1.436 1.00 0.00 C ATOM 793 CD ARG A 49 -10.118 34.326 2.667 1.00 0.00 C ATOM 794 NE ARG A 49 -11.491 33.843 2.778 1.00 0.00 N ATOM 795 CZ ARG A 49 -11.877 33.103 3.812 1.00 0.00 C ATOM 796 NH1 ARG A 49 -11.024 32.798 4.751 1.00 0.00 N ATOM 797 NH2 ARG A 49 -13.109 32.681 3.888 1.00 0.00 N ATOM 0 H ARG A 49 -5.897 33.740 1.019 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.119 33.680 0.662 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -8.080 35.817 2.302 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -8.484 36.669 0.824 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.637 36.081 1.518 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -10.264 34.676 0.540 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.432 33.482 2.595 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.847 34.882 3.565 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.165 34.077 2.050 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.061 33.128 4.692 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -11.321 32.230 5.545 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -13.776 32.919 3.154 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -13.405 32.113 4.682 1.00 0.00 H new ATOM 811 N THR A 50 -8.920 34.676 -1.599 1.00 0.00 N ATOM 812 CA THR A 50 -9.121 34.950 -3.018 1.00 0.00 C ATOM 813 C THR A 50 -9.485 36.415 -3.240 1.00 0.00 C ATOM 814 O THR A 50 -10.090 37.052 -2.377 1.00 0.00 O ATOM 815 CB THR A 50 -10.234 34.057 -3.570 1.00 0.00 C ATOM 816 OG1 THR A 50 -9.939 32.699 -3.274 1.00 0.00 O ATOM 817 CG2 THR A 50 -10.336 34.243 -5.083 1.00 0.00 C ATOM 0 H THR A 50 -9.704 34.211 -1.141 1.00 0.00 H new ATOM 0 HA THR A 50 -8.189 34.738 -3.542 1.00 0.00 H new ATOM 0 HB THR A 50 -11.183 34.331 -3.110 1.00 0.00 H new ATOM 0 HG1 THR A 50 -10.652 32.125 -3.625 1.00 0.00 H new ATOM 0 HG21 THR A 50 -11.129 33.606 -5.475 1.00 0.00 H new ATOM 0 HG22 THR A 50 -10.563 35.285 -5.307 1.00 0.00 H new ATOM 0 HG23 THR A 50 -9.389 33.970 -5.548 1.00 0.00 H new ATOM 825 N GLY A 51 -9.114 36.943 -4.402 1.00 0.00 N ATOM 826 CA GLY A 51 -9.408 38.334 -4.730 1.00 0.00 C ATOM 827 C GLY A 51 -8.326 38.921 -5.629 1.00 0.00 C ATOM 828 O GLY A 51 -8.306 40.125 -5.886 1.00 0.00 O ATOM 0 H GLY A 51 -8.612 36.433 -5.129 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.375 38.398 -5.229 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.483 38.920 -3.814 1.00 0.00 H new ATOM 832 N GLU A 52 -7.429 38.057 -6.101 1.00 0.00 N ATOM 833 CA GLU A 52 -6.338 38.486 -6.970 1.00 0.00 C ATOM 834 C GLU A 52 -6.585 38.020 -8.408 1.00 0.00 C ATOM 835 O GLU A 52 -7.344 37.076 -8.626 1.00 0.00 O ATOM 836 CB GLU A 52 -5.012 37.909 -6.470 1.00 0.00 C ATOM 837 CG GLU A 52 -5.270 37.009 -5.262 1.00 0.00 C ATOM 838 CD GLU A 52 -3.959 36.404 -4.773 1.00 0.00 C ATOM 839 OE1 GLU A 52 -3.272 35.798 -5.579 1.00 0.00 O ATOM 840 OE2 GLU A 52 -3.659 36.556 -3.600 1.00 0.00 O ATOM 0 H GLU A 52 -7.437 37.058 -5.896 1.00 0.00 H new ATOM 0 HA GLU A 52 -6.291 39.575 -6.952 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.529 37.340 -7.264 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.332 38.716 -6.197 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.735 37.585 -4.462 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.968 36.216 -5.531 1.00 0.00 H new ATOM 847 N PRO A 53 -5.969 38.654 -9.386 1.00 0.00 N ATOM 848 CA PRO A 53 -6.134 38.273 -10.820 1.00 0.00 C ATOM 849 C PRO A 53 -6.029 36.762 -11.040 1.00 0.00 C ATOM 850 O PRO A 53 -5.855 35.998 -10.091 1.00 0.00 O ATOM 851 CB PRO A 53 -4.984 38.982 -11.538 1.00 0.00 C ATOM 852 CG PRO A 53 -4.511 40.073 -10.633 1.00 0.00 C ATOM 853 CD PRO A 53 -5.058 39.802 -9.229 1.00 0.00 C ATOM 0 HA PRO A 53 -7.120 38.557 -11.188 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -4.176 38.284 -11.755 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -5.318 39.390 -12.492 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.422 40.107 -10.616 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -4.855 41.042 -10.994 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -4.253 39.574 -8.530 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -5.584 40.672 -8.836 1.00 0.00 H new ATOM 861 N ASP A 54 -6.131 36.347 -12.303 1.00 0.00 N ATOM 862 CA ASP A 54 -6.044 34.930 -12.657 1.00 0.00 C ATOM 863 C ASP A 54 -5.007 34.215 -11.798 1.00 0.00 C ATOM 864 O ASP A 54 -3.964 34.780 -11.469 1.00 0.00 O ATOM 865 CB ASP A 54 -5.673 34.785 -14.134 1.00 0.00 C ATOM 866 CG ASP A 54 -4.376 35.534 -14.418 1.00 0.00 C ATOM 867 OD1 ASP A 54 -3.788 36.039 -13.476 1.00 0.00 O ATOM 868 OD2 ASP A 54 -3.989 35.589 -15.574 1.00 0.00 O ATOM 0 H ASP A 54 -6.274 36.971 -13.097 1.00 0.00 H new ATOM 0 HA ASP A 54 -7.017 34.474 -12.476 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.558 33.731 -14.387 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.475 35.178 -14.760 1.00 0.00 H new ATOM 873 N GLU A 55 -5.310 32.975 -11.427 1.00 0.00 N ATOM 874 CA GLU A 55 -4.408 32.192 -10.588 1.00 0.00 C ATOM 875 C GLU A 55 -4.264 30.767 -11.118 1.00 0.00 C ATOM 876 O GLU A 55 -4.913 30.388 -12.093 1.00 0.00 O ATOM 877 CB GLU A 55 -4.944 32.154 -9.156 1.00 0.00 C ATOM 878 CG GLU A 55 -6.353 31.555 -9.151 1.00 0.00 C ATOM 879 CD GLU A 55 -7.028 31.821 -7.810 1.00 0.00 C ATOM 880 OE1 GLU A 55 -6.380 32.385 -6.943 1.00 0.00 O ATOM 881 OE2 GLU A 55 -8.184 31.459 -7.670 1.00 0.00 O ATOM 0 H GLU A 55 -6.169 32.492 -11.692 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.426 32.665 -10.604 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.283 31.560 -8.525 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.964 33.160 -8.738 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.944 31.989 -9.957 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.302 30.482 -9.335 1.00 0.00 H new ATOM 888 N GLU A 56 -3.407 29.985 -10.466 1.00 0.00 N ATOM 889 CA GLU A 56 -3.178 28.603 -10.875 1.00 0.00 C ATOM 890 C GLU A 56 -3.908 27.637 -9.945 1.00 0.00 C ATOM 891 O GLU A 56 -4.831 28.026 -9.229 1.00 0.00 O ATOM 892 CB GLU A 56 -1.679 28.296 -10.860 1.00 0.00 C ATOM 893 CG GLU A 56 -0.952 29.254 -11.805 1.00 0.00 C ATOM 894 CD GLU A 56 0.528 28.892 -11.874 1.00 0.00 C ATOM 895 OE1 GLU A 56 0.943 28.032 -11.115 1.00 0.00 O ATOM 896 OE2 GLU A 56 1.224 29.478 -12.685 1.00 0.00 O ATOM 0 H GLU A 56 -2.863 30.283 -9.657 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.565 28.475 -11.886 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.286 28.398 -9.848 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.505 27.264 -11.166 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.395 29.203 -12.800 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.068 30.280 -11.457 1.00 0.00 H new ATOM 903 N GLU A 57 -3.490 26.375 -9.964 1.00 0.00 N ATOM 904 CA GLU A 57 -4.111 25.358 -9.122 1.00 0.00 C ATOM 905 C GLU A 57 -3.696 25.539 -7.663 1.00 0.00 C ATOM 906 O GLU A 57 -2.724 26.233 -7.364 1.00 0.00 O ATOM 907 CB GLU A 57 -3.706 23.964 -9.608 1.00 0.00 C ATOM 908 CG GLU A 57 -4.861 22.989 -9.377 1.00 0.00 C ATOM 909 CD GLU A 57 -4.424 21.569 -9.728 1.00 0.00 C ATOM 910 OE1 GLU A 57 -3.272 21.397 -10.089 1.00 0.00 O ATOM 911 OE2 GLU A 57 -5.249 20.676 -9.630 1.00 0.00 O ATOM 0 H GLU A 57 -2.728 26.033 -10.550 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.194 25.465 -9.190 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -3.450 23.996 -10.667 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.818 23.625 -9.075 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.182 23.033 -8.336 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.718 23.276 -9.987 1.00 0.00 H new ATOM 918 N GLY A 58 -4.447 24.914 -6.759 1.00 0.00 N ATOM 919 CA GLY A 58 -4.164 25.009 -5.333 1.00 0.00 C ATOM 920 C GLY A 58 -5.448 24.820 -4.535 1.00 0.00 C ATOM 921 O GLY A 58 -5.435 24.281 -3.429 1.00 0.00 O ATOM 0 H GLY A 58 -5.256 24.337 -6.991 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.433 24.252 -5.047 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.723 25.980 -5.105 1.00 0.00 H new ATOM 925 N THR A 59 -6.558 25.262 -5.119 1.00 0.00 N ATOM 926 CA THR A 59 -7.857 25.134 -4.473 1.00 0.00 C ATOM 927 C THR A 59 -8.656 24.011 -5.124 1.00 0.00 C ATOM 928 O THR A 59 -9.882 23.975 -5.037 1.00 0.00 O ATOM 929 CB THR A 59 -8.631 26.449 -4.586 1.00 0.00 C ATOM 930 OG1 THR A 59 -9.056 26.631 -5.930 1.00 0.00 O ATOM 931 CG2 THR A 59 -7.730 27.615 -4.173 1.00 0.00 C ATOM 0 H THR A 59 -6.583 25.710 -6.035 1.00 0.00 H new ATOM 0 HA THR A 59 -7.703 24.899 -3.420 1.00 0.00 H new ATOM 0 HB THR A 59 -9.500 26.416 -3.929 1.00 0.00 H new ATOM 0 HG1 THR A 59 -9.554 27.472 -6.005 1.00 0.00 H new ATOM 0 HG21 THR A 59 -8.284 28.550 -4.255 1.00 0.00 H new ATOM 0 HG22 THR A 59 -7.404 27.475 -3.142 1.00 0.00 H new ATOM 0 HG23 THR A 59 -6.859 27.651 -4.827 1.00 0.00 H new ATOM 939 N PHE A 60 -7.950 23.089 -5.771 1.00 0.00 N ATOM 940 CA PHE A 60 -8.610 21.965 -6.424 1.00 0.00 C ATOM 941 C PHE A 60 -9.232 21.065 -5.372 1.00 0.00 C ATOM 942 O PHE A 60 -10.369 20.612 -5.510 1.00 0.00 O ATOM 943 CB PHE A 60 -7.606 21.170 -7.261 1.00 0.00 C ATOM 944 CG PHE A 60 -8.322 20.030 -7.949 1.00 0.00 C ATOM 945 CD1 PHE A 60 -9.218 20.298 -8.992 1.00 0.00 C ATOM 946 CD2 PHE A 60 -8.093 18.709 -7.545 1.00 0.00 C ATOM 947 CE1 PHE A 60 -9.885 19.245 -9.629 1.00 0.00 C ATOM 948 CE2 PHE A 60 -8.760 17.656 -8.183 1.00 0.00 C ATOM 949 CZ PHE A 60 -9.656 17.924 -9.226 1.00 0.00 C ATOM 0 H PHE A 60 -6.934 23.097 -5.857 1.00 0.00 H new ATOM 0 HA PHE A 60 -9.388 22.345 -7.085 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -7.137 21.819 -8.000 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -6.810 20.784 -6.625 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -9.394 21.317 -9.305 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -7.402 18.502 -6.741 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -10.577 19.452 -10.432 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -8.584 16.637 -7.871 1.00 0.00 H new ATOM 0 HZ PHE A 60 -10.170 17.112 -9.719 1.00 0.00 H new ATOM 959 N ARG A 61 -8.478 20.829 -4.307 1.00 0.00 N ATOM 960 CA ARG A 61 -8.953 20.006 -3.208 1.00 0.00 C ATOM 961 C ARG A 61 -10.194 20.643 -2.598 1.00 0.00 C ATOM 962 O ARG A 61 -11.087 19.955 -2.111 1.00 0.00 O ATOM 963 CB ARG A 61 -7.855 19.868 -2.147 1.00 0.00 C ATOM 964 CG ARG A 61 -7.719 18.402 -1.714 1.00 0.00 C ATOM 965 CD ARG A 61 -6.569 18.275 -0.713 1.00 0.00 C ATOM 966 NE ARG A 61 -6.306 16.870 -0.416 1.00 0.00 N ATOM 967 CZ ARG A 61 -5.763 16.063 -1.322 1.00 0.00 C ATOM 968 NH1 ARG A 61 -5.459 16.517 -2.507 1.00 0.00 N ATOM 969 NH2 ARG A 61 -5.532 14.813 -1.027 1.00 0.00 N ATOM 0 H ARG A 61 -7.535 21.197 -4.183 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.206 19.014 -3.581 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.906 20.227 -2.546 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -8.093 20.489 -1.284 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.649 18.056 -1.263 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.532 17.770 -2.582 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.672 18.742 -1.119 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.817 18.807 0.205 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.544 16.500 0.505 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.638 17.494 -2.740 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.042 15.895 -3.200 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.768 14.455 -0.101 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.115 14.194 -1.722 1.00 0.00 H new ATOM 983 N SER A 62 -10.235 21.970 -2.632 1.00 0.00 N ATOM 984 CA SER A 62 -11.365 22.707 -2.082 1.00 0.00 C ATOM 985 C SER A 62 -12.649 22.335 -2.816 1.00 0.00 C ATOM 986 O SER A 62 -13.726 22.306 -2.221 1.00 0.00 O ATOM 987 CB SER A 62 -11.116 24.209 -2.204 1.00 0.00 C ATOM 988 OG SER A 62 -9.771 24.490 -1.839 1.00 0.00 O ATOM 0 H SER A 62 -9.502 22.555 -3.033 1.00 0.00 H new ATOM 0 HA SER A 62 -11.473 22.445 -1.030 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.305 24.540 -3.225 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.803 24.757 -1.559 1.00 0.00 H new ATOM 0 HG SER A 62 -9.605 25.453 -1.917 1.00 0.00 H new ATOM 994 N SER A 63 -12.530 22.046 -4.108 1.00 0.00 N ATOM 995 CA SER A 63 -13.695 21.675 -4.900 1.00 0.00 C ATOM 996 C SER A 63 -14.286 20.365 -4.389 1.00 0.00 C ATOM 997 O SER A 63 -15.496 20.149 -4.458 1.00 0.00 O ATOM 998 CB SER A 63 -13.300 21.518 -6.368 1.00 0.00 C ATOM 999 OG SER A 63 -12.529 20.333 -6.522 1.00 0.00 O ATOM 0 H SER A 63 -11.650 22.061 -4.623 1.00 0.00 H new ATOM 0 HA SER A 63 -14.443 22.463 -4.809 1.00 0.00 H new ATOM 0 HB2 SER A 63 -14.191 21.470 -6.993 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.726 22.384 -6.697 1.00 0.00 H new ATOM 0 HG SER A 63 -11.576 20.560 -6.519 1.00 0.00 H new ATOM 1005 N ILE A 64 -13.425 19.495 -3.867 1.00 0.00 N ATOM 1006 CA ILE A 64 -13.880 18.212 -3.339 1.00 0.00 C ATOM 1007 C ILE A 64 -14.800 18.431 -2.142 1.00 0.00 C ATOM 1008 O ILE A 64 -15.739 17.667 -1.923 1.00 0.00 O ATOM 1009 CB ILE A 64 -12.684 17.351 -2.913 1.00 0.00 C ATOM 1010 CG1 ILE A 64 -11.755 17.141 -4.118 1.00 0.00 C ATOM 1011 CG2 ILE A 64 -13.184 15.995 -2.396 1.00 0.00 C ATOM 1012 CD1 ILE A 64 -10.435 16.504 -3.666 1.00 0.00 C ATOM 0 H ILE A 64 -12.420 19.652 -3.799 1.00 0.00 H new ATOM 0 HA ILE A 64 -14.428 17.694 -4.126 1.00 0.00 H new ATOM 0 HB ILE A 64 -12.135 17.854 -2.117 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -12.242 16.502 -4.855 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -11.558 18.096 -4.605 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -12.333 15.385 -2.094 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -13.840 16.152 -1.540 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -13.734 15.485 -3.187 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -9.786 16.361 -4.530 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -9.943 17.158 -2.947 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -10.637 15.540 -3.200 1.00 0.00 H new ATOM 1024 N ARG A 65 -14.525 19.481 -1.370 1.00 0.00 N ATOM 1025 CA ARG A 65 -15.342 19.784 -0.202 1.00 0.00 C ATOM 1026 C ARG A 65 -16.791 19.996 -0.616 1.00 0.00 C ATOM 1027 O ARG A 65 -17.711 19.696 0.144 1.00 0.00 O ATOM 1028 CB ARG A 65 -14.817 21.037 0.509 1.00 0.00 C ATOM 1029 CG ARG A 65 -15.715 21.363 1.710 1.00 0.00 C ATOM 1030 CD ARG A 65 -16.657 22.524 1.371 1.00 0.00 C ATOM 1031 NE ARG A 65 -17.788 22.544 2.297 1.00 0.00 N ATOM 1032 CZ ARG A 65 -17.726 23.187 3.462 1.00 0.00 C ATOM 1033 NH1 ARG A 65 -16.641 23.829 3.804 1.00 0.00 N ATOM 1034 NH2 ARG A 65 -18.757 23.176 4.264 1.00 0.00 N ATOM 0 H ARG A 65 -13.752 20.127 -1.531 1.00 0.00 H new ATOM 0 HA ARG A 65 -15.287 18.940 0.486 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -13.792 20.876 0.842 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.798 21.879 -0.183 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -16.296 20.484 1.987 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -15.101 21.624 2.572 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -16.116 23.469 1.426 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -17.018 22.422 0.347 1.00 0.00 H new ATOM 0 HE ARG A 65 -18.646 22.053 2.045 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -15.836 23.840 3.178 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -16.599 24.320 4.697 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -19.605 22.676 3.997 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -18.714 23.667 5.157 1.00 0.00 H new ATOM 1048 N ARG A 66 -16.993 20.503 -1.831 1.00 0.00 N ATOM 1049 CA ARG A 66 -18.340 20.733 -2.327 1.00 0.00 C ATOM 1050 C ARG A 66 -19.130 19.432 -2.285 1.00 0.00 C ATOM 1051 O ARG A 66 -20.327 19.429 -2.014 1.00 0.00 O ATOM 1052 CB ARG A 66 -18.287 21.264 -3.758 1.00 0.00 C ATOM 1053 CG ARG A 66 -17.474 22.560 -3.787 1.00 0.00 C ATOM 1054 CD ARG A 66 -17.482 23.136 -5.203 1.00 0.00 C ATOM 1055 NE ARG A 66 -16.705 24.370 -5.251 1.00 0.00 N ATOM 1056 CZ ARG A 66 -17.209 25.514 -4.800 1.00 0.00 C ATOM 1057 NH1 ARG A 66 -18.413 25.543 -4.300 1.00 0.00 N ATOM 1058 NH2 ARG A 66 -16.499 26.607 -4.857 1.00 0.00 N ATOM 0 H ARG A 66 -16.248 20.758 -2.480 1.00 0.00 H new ATOM 0 HA ARG A 66 -18.832 21.472 -1.695 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -17.835 20.523 -4.417 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -19.296 21.446 -4.128 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -17.895 23.282 -3.087 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -16.450 22.367 -3.468 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -17.067 22.409 -5.901 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -18.507 23.331 -5.518 1.00 0.00 H new ATOM 0 HE ARG A 66 -15.761 24.354 -5.637 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -18.967 24.688 -4.255 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -18.800 26.421 -3.954 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -15.557 26.584 -5.248 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -16.886 27.485 -4.511 1.00 0.00 H new ATOM 1072 N LEU A 67 -18.445 18.328 -2.551 1.00 0.00 N ATOM 1073 CA LEU A 67 -19.087 17.023 -2.536 1.00 0.00 C ATOM 1074 C LEU A 67 -19.711 16.751 -1.170 1.00 0.00 C ATOM 1075 O LEU A 67 -20.614 15.927 -1.044 1.00 0.00 O ATOM 1076 CB LEU A 67 -18.064 15.929 -2.854 1.00 0.00 C ATOM 1077 CG LEU A 67 -17.309 16.281 -4.138 1.00 0.00 C ATOM 1078 CD1 LEU A 67 -16.306 15.170 -4.462 1.00 0.00 C ATOM 1079 CD2 LEU A 67 -18.301 16.419 -5.295 1.00 0.00 C ATOM 0 H LEU A 67 -17.451 18.311 -2.778 1.00 0.00 H new ATOM 0 HA LEU A 67 -19.871 17.018 -3.293 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -17.363 15.823 -2.026 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -18.568 14.970 -2.969 1.00 0.00 H new ATOM 0 HG LEU A 67 -16.779 17.223 -3.998 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -15.768 15.421 -5.376 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -15.597 15.069 -3.640 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -16.838 14.229 -4.600 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -17.762 16.670 -6.209 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -18.832 15.477 -5.434 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -19.017 17.209 -5.068 1.00 0.00 H new ATOM 1091 N SER A 68 -19.208 17.436 -0.146 1.00 0.00 N ATOM 1092 CA SER A 68 -19.713 17.243 1.210 1.00 0.00 C ATOM 1093 C SER A 68 -21.144 17.756 1.351 1.00 0.00 C ATOM 1094 O SER A 68 -22.006 17.062 1.891 1.00 0.00 O ATOM 1095 CB SER A 68 -18.815 17.976 2.205 1.00 0.00 C ATOM 1096 OG SER A 68 -19.031 19.376 2.085 1.00 0.00 O ATOM 0 H SER A 68 -18.459 18.123 -0.228 1.00 0.00 H new ATOM 0 HA SER A 68 -19.709 16.173 1.419 1.00 0.00 H new ATOM 0 HB2 SER A 68 -19.034 17.648 3.221 1.00 0.00 H new ATOM 0 HB3 SER A 68 -17.769 17.739 2.012 1.00 0.00 H new ATOM 0 HG SER A 68 -18.403 19.749 1.432 1.00 0.00 H new ATOM 1102 N THR A 69 -21.386 18.976 0.876 1.00 0.00 N ATOM 1103 CA THR A 69 -22.716 19.577 0.967 1.00 0.00 C ATOM 1104 C THR A 69 -23.409 19.593 -0.391 1.00 0.00 C ATOM 1105 O THR A 69 -24.620 19.391 -0.483 1.00 0.00 O ATOM 1106 CB THR A 69 -22.608 21.009 1.498 1.00 0.00 C ATOM 1107 OG1 THR A 69 -23.789 21.724 1.165 1.00 0.00 O ATOM 1108 CG2 THR A 69 -21.397 21.700 0.869 1.00 0.00 C ATOM 0 H THR A 69 -20.684 19.565 0.427 1.00 0.00 H new ATOM 0 HA THR A 69 -23.310 18.972 1.652 1.00 0.00 H new ATOM 0 HB THR A 69 -22.488 20.987 2.581 1.00 0.00 H new ATOM 0 HG1 THR A 69 -23.723 22.641 1.505 1.00 0.00 H new ATOM 0 HG21 THR A 69 -21.322 22.719 1.248 1.00 0.00 H new ATOM 0 HG22 THR A 69 -20.491 21.150 1.124 1.00 0.00 H new ATOM 0 HG23 THR A 69 -21.514 21.724 -0.214 1.00 0.00 H new ATOM 1116 N ARG A 70 -22.638 19.848 -1.441 1.00 0.00 N ATOM 1117 CA ARG A 70 -23.199 19.903 -2.788 1.00 0.00 C ATOM 1118 C ARG A 70 -23.500 18.504 -3.323 1.00 0.00 C ATOM 1119 O ARG A 70 -23.984 18.356 -4.445 1.00 0.00 O ATOM 1120 CB ARG A 70 -22.229 20.614 -3.733 1.00 0.00 C ATOM 1121 CG ARG A 70 -23.014 21.254 -4.881 1.00 0.00 C ATOM 1122 CD ARG A 70 -22.040 21.825 -5.913 1.00 0.00 C ATOM 1123 NE ARG A 70 -21.751 20.828 -6.939 1.00 0.00 N ATOM 1124 CZ ARG A 70 -22.580 20.633 -7.958 1.00 0.00 C ATOM 1125 NH1 ARG A 70 -23.667 21.348 -8.061 1.00 0.00 N ATOM 1126 NH2 ARG A 70 -22.306 19.730 -8.860 1.00 0.00 N ATOM 0 H ARG A 70 -21.634 20.018 -1.389 1.00 0.00 H new ATOM 0 HA ARG A 70 -24.135 20.460 -2.736 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -21.669 21.376 -3.191 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -21.502 19.904 -4.127 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -23.662 20.513 -5.349 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -23.659 22.045 -4.498 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -22.467 22.717 -6.372 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -21.116 22.130 -5.422 1.00 0.00 H new ATOM 0 HE ARG A 70 -20.898 20.272 -6.872 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -23.880 22.057 -7.359 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -24.304 21.198 -8.844 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -21.455 19.174 -8.782 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -22.943 19.581 -9.642 1.00 0.00 H new ATOM 1140 N ARG A 71 -23.215 17.482 -2.522 1.00 0.00 N ATOM 1141 CA ARG A 71 -23.466 16.107 -2.947 1.00 0.00 C ATOM 1142 C ARG A 71 -23.689 15.200 -1.739 1.00 0.00 C ATOM 1143 O ARG A 71 -22.806 15.040 -0.897 1.00 0.00 O ATOM 1144 CB ARG A 71 -22.277 15.597 -3.769 1.00 0.00 C ATOM 1145 CG ARG A 71 -22.726 14.487 -4.732 1.00 0.00 C ATOM 1146 CD ARG A 71 -23.239 13.279 -3.944 1.00 0.00 C ATOM 1147 NE ARG A 71 -23.119 12.070 -4.752 1.00 0.00 N ATOM 1148 CZ ARG A 71 -23.896 11.870 -5.811 1.00 0.00 C ATOM 1149 NH1 ARG A 71 -24.795 12.758 -6.140 1.00 0.00 N ATOM 1150 NH2 ARG A 71 -23.761 10.786 -6.525 1.00 0.00 N ATOM 0 H ARG A 71 -22.816 17.576 -1.588 1.00 0.00 H new ATOM 0 HA ARG A 71 -24.367 16.091 -3.560 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -21.837 16.420 -4.333 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -21.503 15.217 -3.103 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -23.511 14.861 -5.389 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -21.893 14.188 -5.368 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -22.670 13.168 -3.021 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -24.280 13.435 -3.660 1.00 0.00 H new ATOM 0 HE ARG A 71 -22.426 11.366 -4.499 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -24.901 13.606 -5.584 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -25.391 12.603 -6.953 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -23.059 10.092 -6.270 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -24.358 10.633 -7.338 1.00 0.00 H new ATOM 1164 N ARG A 72 -24.876 14.606 -1.663 1.00 0.00 N ATOM 1165 CA ARG A 72 -25.204 13.714 -0.556 1.00 0.00 C ATOM 1166 C ARG A 72 -24.978 14.411 0.781 1.00 0.00 C ATOM 1167 O ARG A 72 -25.810 15.222 1.152 1.00 0.00 O ATOM 1168 CB ARG A 72 -24.340 12.454 -0.632 1.00 0.00 C ATOM 1169 CG ARG A 72 -24.820 11.437 0.406 1.00 0.00 C ATOM 1170 CD ARG A 72 -23.931 10.194 0.349 1.00 0.00 C ATOM 1171 NE ARG A 72 -24.410 9.185 1.289 1.00 0.00 N ATOM 1172 CZ ARG A 72 -25.443 8.405 0.992 1.00 0.00 C ATOM 1173 NH1 ARG A 72 -26.046 8.531 -0.159 1.00 0.00 N ATOM 1174 NH2 ARG A 72 -25.853 7.511 1.850 1.00 0.00 N ATOM 1175 OXT ARG A 72 -23.976 14.122 1.416 1.00 0.00 O ATOM 0 H ARG A 72 -25.622 14.725 -2.349 1.00 0.00 H new ATOM 0 HA ARG A 72 -26.256 13.439 -0.633 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -24.396 12.022 -1.631 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -23.295 12.706 -0.452 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -24.787 11.876 1.403 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -25.857 11.165 0.212 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -23.928 9.787 -0.662 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -22.902 10.463 0.587 1.00 0.00 H new ATOM 0 HE ARG A 72 -23.943 9.077 2.189 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -25.724 9.228 -0.830 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -26.839 7.932 -0.387 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -25.380 7.412 2.748 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -26.646 6.912 1.622 1.00 0.00 H new TER 1189 ARG A 72