USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 661 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 39 TYR OH : rot 180:sc= 0.287 USER MOD Set 1.2: A 55 THR OG1 : rot 66:sc= 0.301 USER MOD Set 2.1: A 18 SER OG : rot 94:sc= 0.356 USER MOD Set 2.2: A 112 SER OG : rot 120:sc= 0.262 USER MOD Set 3.1: A 14 SER OG : rot 86:sc= 0.901 USER MOD Set 3.2: A 105 SER OG : rot 74:sc= 1.05 USER MOD Single : A 4 SER OG : rot -36:sc= 0.125 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 12 SER OG : rot 86:sc= 0.183 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 79:sc= 0.109 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -0.131 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 95:sc= 0.142 USER MOD Single : A 53 SER OG : rot 49:sc= 0.187 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 28:sc= 0.48 USER MOD Single : A 79 ASN : amide:sc= -0.0832 X(o=-0.083,f=0) USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 91 THR OG1 : rot -6:sc= 0.268 USER MOD Single : A 92 GLN : amide:sc= -0.182 X(o=-0.18,f=-0.18) USER MOD Single : A 96 ASN : amide:sc= -0.0175 X(o=-0.018,f=-0.018) USER MOD Single : A 99 ASN : amide:sc= -0.0237 X(o=-0.024,f=-0.047) USER MOD Single : A 101 SER OG : rot 180:sc= 0.0635 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= -0.0269 K(o=-0.027,f=-0.62) USER MOD Single : A 114 SER OG : rot 64:sc= 0.477 USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N SER A 4 10.421 -9.196 -7.240 1.00 0.00 N ATOM 32 CA SER A 4 9.465 -8.080 -7.286 1.00 0.00 C ATOM 33 C SER A 4 8.184 -8.450 -8.038 1.00 0.00 C ATOM 34 O SER A 4 7.095 -8.188 -7.533 1.00 0.00 O ATOM 35 CB SER A 4 10.110 -6.833 -7.907 1.00 0.00 C ATOM 36 OG SER A 4 10.652 -7.137 -9.182 1.00 0.00 O ATOM 0 HA SER A 4 9.187 -7.855 -6.256 1.00 0.00 H new ATOM 0 HB2 SER A 4 9.367 -6.041 -8.000 1.00 0.00 H new ATOM 0 HB3 SER A 4 10.896 -6.458 -7.251 1.00 0.00 H new ATOM 0 HG SER A 4 11.021 -8.045 -9.172 1.00 0.00 H new ATOM 41 N SER A 5 8.287 -9.129 -9.186 1.00 0.00 N ATOM 42 CA SER A 5 7.129 -9.647 -9.932 1.00 0.00 C ATOM 43 C SER A 5 6.357 -10.722 -9.161 1.00 0.00 C ATOM 44 O SER A 5 5.130 -10.735 -9.207 1.00 0.00 O ATOM 45 CB SER A 5 7.545 -10.229 -11.291 1.00 0.00 C ATOM 46 OG SER A 5 8.368 -9.316 -12.004 1.00 0.00 O ATOM 0 H SER A 5 9.182 -9.337 -9.629 1.00 0.00 H new ATOM 0 HA SER A 5 6.476 -8.787 -10.080 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.081 -11.166 -11.141 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.657 -10.460 -11.879 1.00 0.00 H new ATOM 0 HG SER A 5 8.622 -9.708 -12.865 1.00 0.00 H new ATOM 51 N ALA A 6 7.040 -11.609 -8.427 1.00 0.00 N ATOM 52 CA ALA A 6 6.394 -12.643 -7.612 1.00 0.00 C ATOM 53 C ALA A 6 5.682 -12.051 -6.384 1.00 0.00 C ATOM 54 O ALA A 6 4.528 -12.387 -6.106 1.00 0.00 O ATOM 55 CB ALA A 6 7.456 -13.665 -7.190 1.00 0.00 C ATOM 0 H ALA A 6 8.059 -11.629 -8.382 1.00 0.00 H new ATOM 0 HA ALA A 6 5.623 -13.130 -8.208 1.00 0.00 H new ATOM 0 HB1 ALA A 6 6.992 -14.442 -6.582 1.00 0.00 H new ATOM 0 HB2 ALA A 6 7.901 -14.115 -8.078 1.00 0.00 H new ATOM 0 HB3 ALA A 6 8.232 -13.165 -6.610 1.00 0.00 H new ATOM 61 N PHE A 7 6.344 -11.130 -5.680 1.00 0.00 N ATOM 62 CA PHE A 7 5.755 -10.355 -4.593 1.00 0.00 C ATOM 63 C PHE A 7 4.540 -9.568 -5.087 1.00 0.00 C ATOM 64 O PHE A 7 3.454 -9.702 -4.531 1.00 0.00 O ATOM 65 CB PHE A 7 6.825 -9.424 -4.019 1.00 0.00 C ATOM 66 CG PHE A 7 6.381 -8.631 -2.811 1.00 0.00 C ATOM 67 CD1 PHE A 7 6.589 -9.161 -1.527 1.00 0.00 C ATOM 68 CD2 PHE A 7 5.812 -7.351 -2.960 1.00 0.00 C ATOM 69 CE1 PHE A 7 6.324 -8.383 -0.392 1.00 0.00 C ATOM 70 CE2 PHE A 7 5.518 -6.580 -1.823 1.00 0.00 C ATOM 71 CZ PHE A 7 5.814 -7.086 -0.547 1.00 0.00 C ATOM 0 H PHE A 7 7.322 -10.900 -5.855 1.00 0.00 H new ATOM 0 HA PHE A 7 5.405 -11.026 -3.808 1.00 0.00 H new ATOM 0 HB2 PHE A 7 7.698 -10.018 -3.748 1.00 0.00 H new ATOM 0 HB3 PHE A 7 7.141 -8.730 -4.798 1.00 0.00 H new ATOM 0 HD1 PHE A 7 6.954 -10.171 -1.414 1.00 0.00 H new ATOM 0 HD2 PHE A 7 5.602 -6.963 -3.946 1.00 0.00 H new ATOM 0 HE1 PHE A 7 6.511 -8.779 0.595 1.00 0.00 H new ATOM 0 HE2 PHE A 7 5.067 -5.604 -1.930 1.00 0.00 H new ATOM 0 HZ PHE A 7 5.647 -6.470 0.324 1.00 0.00 H new ATOM 80 N ALA A 8 4.684 -8.816 -6.182 1.00 0.00 N ATOM 81 CA ALA A 8 3.586 -8.094 -6.812 1.00 0.00 C ATOM 82 C ALA A 8 2.474 -9.019 -7.340 1.00 0.00 C ATOM 83 O ALA A 8 1.327 -8.601 -7.333 1.00 0.00 O ATOM 84 CB ALA A 8 4.135 -7.162 -7.898 1.00 0.00 C ATOM 0 H ALA A 8 5.578 -8.693 -6.658 1.00 0.00 H new ATOM 0 HA ALA A 8 3.103 -7.489 -6.045 1.00 0.00 H new ATOM 0 HB1 ALA A 8 3.311 -6.624 -8.367 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.826 -6.448 -7.450 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.659 -7.750 -8.651 1.00 0.00 H new ATOM 90 N GLN A 9 2.742 -10.273 -7.731 1.00 0.00 N ATOM 91 CA GLN A 9 1.695 -11.244 -8.092 1.00 0.00 C ATOM 92 C GLN A 9 0.830 -11.636 -6.889 1.00 0.00 C ATOM 93 O GLN A 9 -0.394 -11.490 -6.941 1.00 0.00 O ATOM 94 CB GLN A 9 2.307 -12.510 -8.721 1.00 0.00 C ATOM 95 CG GLN A 9 2.433 -12.402 -10.246 1.00 0.00 C ATOM 96 CD GLN A 9 3.175 -13.595 -10.853 1.00 0.00 C ATOM 97 OE1 GLN A 9 3.082 -14.733 -10.405 1.00 0.00 O ATOM 98 NE2 GLN A 9 3.944 -13.389 -11.900 1.00 0.00 N ATOM 0 H GLN A 9 3.689 -10.644 -7.806 1.00 0.00 H new ATOM 0 HA GLN A 9 1.055 -10.751 -8.824 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.292 -12.687 -8.289 1.00 0.00 H new ATOM 0 HB3 GLN A 9 1.689 -13.372 -8.470 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.438 -12.333 -10.687 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.959 -11.482 -10.501 1.00 0.00 H new ATOM 0 HE21 GLN A 9 4.036 -12.450 -12.289 1.00 0.00 H new ATOM 0 HE22 GLN A 9 4.449 -14.168 -12.323 1.00 0.00 H new ATOM 105 N ALA A 10 1.436 -12.102 -5.793 1.00 0.00 N ATOM 106 CA ALA A 10 0.680 -12.471 -4.595 1.00 0.00 C ATOM 107 C ALA A 10 0.039 -11.248 -3.927 1.00 0.00 C ATOM 108 O ALA A 10 -1.105 -11.325 -3.487 1.00 0.00 O ATOM 109 CB ALA A 10 1.602 -13.178 -3.611 1.00 0.00 C ATOM 0 H ALA A 10 2.444 -12.232 -5.712 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.126 -13.140 -4.896 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.040 -13.453 -2.719 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.009 -14.077 -4.075 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.419 -12.511 -3.334 1.00 0.00 H new ATOM 115 N ALA A 11 0.741 -10.110 -3.898 1.00 0.00 N ATOM 116 CA ALA A 11 0.196 -8.844 -3.430 1.00 0.00 C ATOM 117 C ALA A 11 -1.004 -8.413 -4.284 1.00 0.00 C ATOM 118 O ALA A 11 -2.075 -8.206 -3.724 1.00 0.00 O ATOM 119 CB ALA A 11 1.295 -7.773 -3.390 1.00 0.00 C ATOM 0 H ALA A 11 1.712 -10.048 -4.203 1.00 0.00 H new ATOM 0 HA ALA A 11 -0.172 -8.974 -2.412 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.873 -6.832 -3.038 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.088 -8.091 -2.713 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.705 -7.635 -4.390 1.00 0.00 H new ATOM 125 N SER A 12 -0.875 -8.363 -5.617 1.00 0.00 N ATOM 126 CA SER A 12 -1.987 -8.060 -6.533 1.00 0.00 C ATOM 127 C SER A 12 -3.170 -9.007 -6.348 1.00 0.00 C ATOM 128 O SER A 12 -4.306 -8.545 -6.324 1.00 0.00 O ATOM 129 CB SER A 12 -1.567 -8.057 -8.008 1.00 0.00 C ATOM 130 OG SER A 12 -0.857 -6.864 -8.301 1.00 0.00 O ATOM 0 H SER A 12 0.010 -8.533 -6.095 1.00 0.00 H new ATOM 0 HA SER A 12 -2.298 -7.050 -6.265 1.00 0.00 H new ATOM 0 HB2 SER A 12 -0.942 -8.925 -8.220 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.447 -8.134 -8.647 1.00 0.00 H new ATOM 0 HG SER A 12 0.090 -6.985 -8.081 1.00 0.00 H new ATOM 135 N SER A 13 -2.939 -10.307 -6.154 1.00 0.00 N ATOM 136 CA SER A 13 -4.021 -11.266 -5.894 1.00 0.00 C ATOM 137 C SER A 13 -4.710 -11.010 -4.540 1.00 0.00 C ATOM 138 O SER A 13 -5.931 -10.843 -4.488 1.00 0.00 O ATOM 139 CB SER A 13 -3.489 -12.699 -5.997 1.00 0.00 C ATOM 140 OG SER A 13 -4.572 -13.613 -6.085 1.00 0.00 O ATOM 0 H SER A 13 -2.008 -10.724 -6.172 1.00 0.00 H new ATOM 0 HA SER A 13 -4.787 -11.126 -6.657 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.848 -12.796 -6.873 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.876 -12.932 -5.126 1.00 0.00 H new ATOM 0 HG SER A 13 -4.224 -14.527 -6.152 1.00 0.00 H new ATOM 145 N SER A 14 -3.935 -10.881 -3.456 1.00 0.00 N ATOM 146 CA SER A 14 -4.433 -10.631 -2.091 1.00 0.00 C ATOM 147 C SER A 14 -4.974 -9.215 -1.848 1.00 0.00 C ATOM 148 O SER A 14 -5.687 -9.009 -0.866 1.00 0.00 O ATOM 149 CB SER A 14 -3.346 -10.945 -1.056 1.00 0.00 C ATOM 150 OG SER A 14 -3.107 -12.343 -1.037 1.00 0.00 O ATOM 0 H SER A 14 -2.918 -10.949 -3.501 1.00 0.00 H new ATOM 0 HA SER A 14 -5.284 -11.303 -1.978 1.00 0.00 H new ATOM 0 HB2 SER A 14 -2.428 -10.411 -1.302 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.658 -10.604 -0.069 1.00 0.00 H new ATOM 0 HG SER A 14 -2.450 -12.572 -1.728 1.00 0.00 H new ATOM 155 N LEU A 15 -4.682 -8.239 -2.722 1.00 0.00 N ATOM 156 CA LEU A 15 -5.296 -6.905 -2.705 1.00 0.00 C ATOM 157 C LEU A 15 -6.479 -6.790 -3.681 1.00 0.00 C ATOM 158 O LEU A 15 -7.398 -6.017 -3.423 1.00 0.00 O ATOM 159 CB LEU A 15 -4.223 -5.812 -2.908 1.00 0.00 C ATOM 160 CG LEU A 15 -3.731 -5.600 -4.349 1.00 0.00 C ATOM 161 CD1 LEU A 15 -4.650 -4.707 -5.189 1.00 0.00 C ATOM 162 CD2 LEU A 15 -2.335 -4.965 -4.331 1.00 0.00 C ATOM 0 H LEU A 15 -4.001 -8.358 -3.472 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.732 -6.745 -1.719 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.623 -4.867 -2.541 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.363 -6.057 -2.285 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.720 -6.588 -4.810 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.238 -4.603 -6.193 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.641 -5.158 -5.248 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.726 -3.724 -4.725 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.990 -4.816 -5.354 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.379 -4.003 -3.820 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.643 -5.623 -3.806 1.00 0.00 H new ATOM 173 N ALA A 16 -6.510 -7.555 -4.781 1.00 0.00 N ATOM 174 CA ALA A 16 -7.655 -7.588 -5.699 1.00 0.00 C ATOM 175 C ALA A 16 -8.915 -8.158 -5.022 1.00 0.00 C ATOM 176 O ALA A 16 -10.034 -7.732 -5.320 1.00 0.00 O ATOM 177 CB ALA A 16 -7.284 -8.392 -6.950 1.00 0.00 C ATOM 0 H ALA A 16 -5.743 -8.167 -5.058 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.894 -6.565 -5.991 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.134 -8.417 -7.632 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.435 -7.922 -7.446 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.019 -9.410 -6.663 1.00 0.00 H new ATOM 183 N THR A 17 -8.737 -9.070 -4.061 1.00 0.00 N ATOM 184 CA THR A 17 -9.796 -9.562 -3.161 1.00 0.00 C ATOM 185 C THR A 17 -10.135 -8.597 -2.008 1.00 0.00 C ATOM 186 O THR A 17 -11.026 -8.890 -1.206 1.00 0.00 O ATOM 187 CB THR A 17 -9.432 -10.947 -2.604 1.00 0.00 C ATOM 188 OG1 THR A 17 -8.172 -10.917 -1.969 1.00 0.00 O ATOM 189 CG2 THR A 17 -9.370 -12.002 -3.714 1.00 0.00 C ATOM 0 H THR A 17 -7.830 -9.500 -3.879 1.00 0.00 H new ATOM 0 HA THR A 17 -10.695 -9.633 -3.773 1.00 0.00 H new ATOM 0 HB THR A 17 -10.213 -11.210 -1.890 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.960 -11.808 -1.620 1.00 0.00 H new ATOM 0 HG21 THR A 17 -9.110 -12.969 -3.283 1.00 0.00 H new ATOM 0 HG22 THR A 17 -10.341 -12.072 -4.204 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.615 -11.716 -4.446 1.00 0.00 H new ATOM 197 N SER A 18 -9.494 -7.423 -1.943 1.00 0.00 N ATOM 198 CA SER A 18 -9.705 -6.374 -0.932 1.00 0.00 C ATOM 199 C SER A 18 -10.389 -5.154 -1.549 1.00 0.00 C ATOM 200 O SER A 18 -9.759 -4.124 -1.786 1.00 0.00 O ATOM 201 CB SER A 18 -8.387 -5.971 -0.255 1.00 0.00 C ATOM 202 OG SER A 18 -7.830 -7.084 0.420 1.00 0.00 O ATOM 0 H SER A 18 -8.781 -7.165 -2.625 1.00 0.00 H new ATOM 0 HA SER A 18 -10.360 -6.785 -0.164 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.685 -5.598 -1.001 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.564 -5.159 0.450 1.00 0.00 H new ATOM 0 HG SER A 18 -7.190 -7.537 -0.168 1.00 0.00 H new ATOM 207 N SER A 19 -11.699 -5.244 -1.797 1.00 0.00 N ATOM 208 CA SER A 19 -12.510 -4.132 -2.328 1.00 0.00 C ATOM 209 C SER A 19 -12.371 -2.823 -1.534 1.00 0.00 C ATOM 210 O SER A 19 -12.511 -1.748 -2.111 1.00 0.00 O ATOM 211 CB SER A 19 -13.990 -4.529 -2.403 1.00 0.00 C ATOM 212 OG SER A 19 -14.151 -5.736 -3.136 1.00 0.00 O ATOM 0 H SER A 19 -12.236 -6.096 -1.635 1.00 0.00 H new ATOM 0 HA SER A 19 -12.118 -3.938 -3.327 1.00 0.00 H new ATOM 0 HB2 SER A 19 -14.390 -4.653 -1.397 1.00 0.00 H new ATOM 0 HB3 SER A 19 -14.562 -3.731 -2.877 1.00 0.00 H new ATOM 0 HG SER A 19 -15.101 -5.973 -3.171 1.00 0.00 H new ATOM 217 N ALA A 20 -12.034 -2.886 -0.238 1.00 0.00 N ATOM 218 CA ALA A 20 -11.693 -1.719 0.582 1.00 0.00 C ATOM 219 C ALA A 20 -10.429 -0.973 0.105 1.00 0.00 C ATOM 220 O ALA A 20 -10.413 0.256 0.129 1.00 0.00 O ATOM 221 CB ALA A 20 -11.536 -2.174 2.039 1.00 0.00 C ATOM 0 H ALA A 20 -11.991 -3.765 0.277 1.00 0.00 H new ATOM 0 HA ALA A 20 -12.506 -1.000 0.486 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -11.282 -1.317 2.663 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.472 -2.611 2.387 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.742 -2.918 2.104 1.00 0.00 H new ATOM 227 N ILE A 21 -9.394 -1.682 -0.369 1.00 0.00 N ATOM 228 CA ILE A 21 -8.201 -1.079 -0.992 1.00 0.00 C ATOM 229 C ILE A 21 -8.607 -0.367 -2.291 1.00 0.00 C ATOM 230 O ILE A 21 -8.323 0.819 -2.465 1.00 0.00 O ATOM 231 CB ILE A 21 -7.091 -2.142 -1.225 1.00 0.00 C ATOM 232 CG1 ILE A 21 -6.513 -2.638 0.122 1.00 0.00 C ATOM 233 CG2 ILE A 21 -5.961 -1.583 -2.099 1.00 0.00 C ATOM 234 CD1 ILE A 21 -5.421 -3.709 -0.004 1.00 0.00 C ATOM 0 H ILE A 21 -9.359 -2.701 -0.331 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.777 -0.337 -0.316 1.00 0.00 H new ATOM 0 HB ILE A 21 -7.549 -2.983 -1.746 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -6.105 -1.784 0.663 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -7.327 -3.038 0.726 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -5.200 -2.350 -2.244 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -6.364 -1.284 -3.067 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.515 -0.718 -1.608 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.076 -3.996 0.989 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.826 -4.583 -0.514 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.584 -3.310 -0.577 1.00 0.00 H new ATOM 245 N SER A 22 -9.336 -1.058 -3.177 1.00 0.00 N ATOM 246 CA SER A 22 -9.805 -0.484 -4.446 1.00 0.00 C ATOM 247 C SER A 22 -10.716 0.731 -4.248 1.00 0.00 C ATOM 248 O SER A 22 -10.543 1.741 -4.935 1.00 0.00 O ATOM 249 CB SER A 22 -10.526 -1.536 -5.298 1.00 0.00 C ATOM 250 OG SER A 22 -9.652 -2.612 -5.594 1.00 0.00 O ATOM 0 H SER A 22 -9.617 -2.028 -3.035 1.00 0.00 H new ATOM 0 HA SER A 22 -8.911 -0.145 -4.970 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.402 -1.906 -4.766 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.882 -1.083 -6.223 1.00 0.00 H new ATOM 0 HG SER A 22 -10.124 -3.277 -6.137 1.00 0.00 H new ATOM 255 N ARG A 23 -11.639 0.688 -3.276 1.00 0.00 N ATOM 256 CA ARG A 23 -12.453 1.851 -2.895 1.00 0.00 C ATOM 257 C ARG A 23 -11.623 2.981 -2.306 1.00 0.00 C ATOM 258 O ARG A 23 -11.838 4.117 -2.711 1.00 0.00 O ATOM 259 CB ARG A 23 -13.604 1.480 -1.944 1.00 0.00 C ATOM 260 CG ARG A 23 -14.824 0.947 -2.721 1.00 0.00 C ATOM 261 CD ARG A 23 -16.155 1.307 -2.040 1.00 0.00 C ATOM 262 NE ARG A 23 -17.226 1.491 -3.040 1.00 0.00 N ATOM 263 CZ ARG A 23 -18.438 1.976 -2.829 1.00 0.00 C ATOM 264 NH1 ARG A 23 -18.896 2.212 -1.631 1.00 0.00 N ATOM 265 NH2 ARG A 23 -19.219 2.243 -3.837 1.00 0.00 N ATOM 0 H ARG A 23 -11.842 -0.152 -2.733 1.00 0.00 H new ATOM 0 HA ARG A 23 -12.891 2.212 -3.826 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -13.264 0.725 -1.235 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -13.895 2.355 -1.363 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -14.814 1.355 -3.732 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.748 -0.136 -2.814 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -16.436 0.519 -1.342 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -16.035 2.221 -1.458 1.00 0.00 H new ATOM 0 HE ARG A 23 -17.007 1.214 -3.997 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -18.313 2.022 -0.816 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -19.837 2.587 -1.509 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.896 2.078 -4.790 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -20.154 2.617 -3.673 1.00 0.00 H new ATOM 276 N ALA A 24 -10.651 2.715 -1.434 1.00 0.00 N ATOM 277 CA ALA A 24 -9.785 3.767 -0.901 1.00 0.00 C ATOM 278 C ALA A 24 -9.047 4.532 -2.021 1.00 0.00 C ATOM 279 O ALA A 24 -8.956 5.759 -1.964 1.00 0.00 O ATOM 280 CB ALA A 24 -8.834 3.171 0.142 1.00 0.00 C ATOM 0 H ALA A 24 -10.443 1.781 -1.082 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.403 4.514 -0.402 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.190 3.956 0.538 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.414 2.733 0.955 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.221 2.399 -0.323 1.00 0.00 H new ATOM 286 N PHE A 25 -8.610 3.836 -3.078 1.00 0.00 N ATOM 287 CA PHE A 25 -8.008 4.439 -4.274 1.00 0.00 C ATOM 288 C PHE A 25 -9.004 5.126 -5.229 1.00 0.00 C ATOM 289 O PHE A 25 -8.646 6.121 -5.856 1.00 0.00 O ATOM 290 CB PHE A 25 -7.207 3.375 -5.030 1.00 0.00 C ATOM 291 CG PHE A 25 -6.064 2.727 -4.262 1.00 0.00 C ATOM 292 CD1 PHE A 25 -5.315 3.445 -3.302 1.00 0.00 C ATOM 293 CD2 PHE A 25 -5.739 1.385 -4.528 1.00 0.00 C ATOM 294 CE1 PHE A 25 -4.313 2.798 -2.558 1.00 0.00 C ATOM 295 CE2 PHE A 25 -4.710 0.755 -3.812 1.00 0.00 C ATOM 296 CZ PHE A 25 -4.034 1.442 -2.796 1.00 0.00 C ATOM 0 H PHE A 25 -8.666 2.819 -3.127 1.00 0.00 H new ATOM 0 HA PHE A 25 -7.362 5.239 -3.912 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.894 2.591 -5.350 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.800 3.829 -5.933 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -5.513 4.494 -3.140 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -6.282 0.838 -5.285 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -3.760 3.341 -1.806 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.438 -0.264 -4.045 1.00 0.00 H new ATOM 0 HZ PHE A 25 -3.298 0.929 -2.195 1.00 0.00 H new ATOM 305 N ALA A 26 -10.248 4.647 -5.340 1.00 0.00 N ATOM 306 CA ALA A 26 -11.295 5.310 -6.129 1.00 0.00 C ATOM 307 C ALA A 26 -11.915 6.538 -5.419 1.00 0.00 C ATOM 308 O ALA A 26 -12.351 7.483 -6.081 1.00 0.00 O ATOM 309 CB ALA A 26 -12.362 4.269 -6.493 1.00 0.00 C ATOM 0 H ALA A 26 -10.559 3.788 -4.885 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.838 5.711 -7.034 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -13.148 4.744 -7.080 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.906 3.470 -7.077 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.791 3.853 -5.581 1.00 0.00 H new ATOM 315 N SER A 27 -11.934 6.552 -4.080 1.00 0.00 N ATOM 316 CA SER A 27 -12.375 7.681 -3.244 1.00 0.00 C ATOM 317 C SER A 27 -11.453 8.901 -3.339 1.00 0.00 C ATOM 318 O SER A 27 -11.928 10.036 -3.261 1.00 0.00 O ATOM 319 CB SER A 27 -12.452 7.249 -1.772 1.00 0.00 C ATOM 320 OG SER A 27 -13.571 6.403 -1.562 1.00 0.00 O ATOM 0 H SER A 27 -11.632 5.750 -3.527 1.00 0.00 H new ATOM 0 HA SER A 27 -13.355 7.971 -3.622 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.537 6.728 -1.491 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.528 8.128 -1.132 1.00 0.00 H new ATOM 0 HG SER A 27 -13.357 5.496 -1.866 1.00 0.00 H new ATOM 325 N VAL A 28 -10.143 8.690 -3.523 1.00 0.00 N ATOM 326 CA VAL A 28 -9.161 9.769 -3.726 1.00 0.00 C ATOM 327 C VAL A 28 -9.060 10.169 -5.206 1.00 0.00 C ATOM 328 O VAL A 28 -8.705 9.367 -6.069 1.00 0.00 O ATOM 329 CB VAL A 28 -7.782 9.430 -3.118 1.00 0.00 C ATOM 330 CG1 VAL A 28 -7.904 9.335 -1.592 1.00 0.00 C ATOM 331 CG2 VAL A 28 -7.147 8.129 -3.628 1.00 0.00 C ATOM 0 H VAL A 28 -9.729 7.758 -3.536 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.528 10.639 -3.182 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.126 10.241 -3.434 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.931 9.096 -1.163 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.251 10.289 -1.195 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.617 8.553 -1.332 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.183 7.980 -3.142 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.803 7.289 -3.398 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.004 8.192 -4.707 1.00 0.00 H new ATOM 341 N SER A 29 -9.344 11.443 -5.489 1.00 0.00 N ATOM 342 CA SER A 29 -9.339 12.047 -6.839 1.00 0.00 C ATOM 343 C SER A 29 -8.418 13.280 -6.913 1.00 0.00 C ATOM 344 O SER A 29 -8.636 14.204 -7.698 1.00 0.00 O ATOM 345 CB SER A 29 -10.776 12.353 -7.296 1.00 0.00 C ATOM 346 OG SER A 29 -11.507 11.145 -7.469 1.00 0.00 O ATOM 0 H SER A 29 -9.594 12.114 -4.762 1.00 0.00 H new ATOM 0 HA SER A 29 -8.922 11.321 -7.537 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.273 12.984 -6.559 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.756 12.911 -8.232 1.00 0.00 H new ATOM 0 HG SER A 29 -12.420 11.354 -7.758 1.00 0.00 H new ATOM 351 N SER A 30 -7.361 13.262 -6.095 1.00 0.00 N ATOM 352 CA SER A 30 -6.278 14.253 -6.028 1.00 0.00 C ATOM 353 C SER A 30 -4.963 13.544 -5.707 1.00 0.00 C ATOM 354 O SER A 30 -4.934 12.681 -4.829 1.00 0.00 O ATOM 355 CB SER A 30 -6.564 15.277 -4.918 1.00 0.00 C ATOM 356 OG SER A 30 -7.405 16.317 -5.388 1.00 0.00 O ATOM 0 H SER A 30 -7.229 12.509 -5.419 1.00 0.00 H new ATOM 0 HA SER A 30 -6.210 14.764 -6.988 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.036 14.778 -4.071 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.626 15.699 -4.557 1.00 0.00 H new ATOM 0 HG SER A 30 -7.573 16.954 -4.663 1.00 0.00 H new ATOM 361 N ALA A 31 -3.866 13.918 -6.372 1.00 0.00 N ATOM 362 CA ALA A 31 -2.552 13.308 -6.155 1.00 0.00 C ATOM 363 C ALA A 31 -2.046 13.487 -4.710 1.00 0.00 C ATOM 364 O ALA A 31 -1.465 12.557 -4.156 1.00 0.00 O ATOM 365 CB ALA A 31 -1.565 13.870 -7.186 1.00 0.00 C ATOM 0 H ALA A 31 -3.865 14.654 -7.078 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.641 12.231 -6.295 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.584 13.422 -7.032 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.917 13.637 -8.191 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.492 14.951 -7.068 1.00 0.00 H new ATOM 371 N SER A 32 -2.330 14.627 -4.063 1.00 0.00 N ATOM 372 CA SER A 32 -2.055 14.853 -2.629 1.00 0.00 C ATOM 373 C SER A 32 -2.926 14.001 -1.698 1.00 0.00 C ATOM 374 O SER A 32 -2.419 13.463 -0.713 1.00 0.00 O ATOM 375 CB SER A 32 -2.251 16.328 -2.260 1.00 0.00 C ATOM 376 OG SER A 32 -1.125 17.083 -2.683 1.00 0.00 O ATOM 0 H SER A 32 -2.762 15.429 -4.522 1.00 0.00 H new ATOM 0 HA SER A 32 -1.017 14.555 -2.485 1.00 0.00 H new ATOM 0 HB2 SER A 32 -3.156 16.713 -2.730 1.00 0.00 H new ATOM 0 HB3 SER A 32 -2.384 16.428 -1.183 1.00 0.00 H new ATOM 0 HG SER A 32 -1.255 18.025 -2.447 1.00 0.00 H new ATOM 381 N ALA A 33 -4.219 13.831 -2.002 1.00 0.00 N ATOM 382 CA ALA A 33 -5.100 12.961 -1.222 1.00 0.00 C ATOM 383 C ALA A 33 -4.670 11.492 -1.338 1.00 0.00 C ATOM 384 O ALA A 33 -4.563 10.803 -0.329 1.00 0.00 O ATOM 385 CB ALA A 33 -6.552 13.152 -1.679 1.00 0.00 C ATOM 0 H ALA A 33 -4.678 14.289 -2.789 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.025 13.237 -0.170 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -7.205 12.503 -1.096 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.847 14.191 -1.530 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.637 12.898 -2.736 1.00 0.00 H new ATOM 391 N ALA A 34 -4.359 11.029 -2.551 1.00 0.00 N ATOM 392 CA ALA A 34 -3.877 9.678 -2.823 1.00 0.00 C ATOM 393 C ALA A 34 -2.471 9.430 -2.240 1.00 0.00 C ATOM 394 O ALA A 34 -2.220 8.374 -1.661 1.00 0.00 O ATOM 395 CB ALA A 34 -3.953 9.457 -4.339 1.00 0.00 C ATOM 0 H ALA A 34 -4.439 11.601 -3.392 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.507 8.943 -2.321 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.599 8.454 -4.579 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.985 9.567 -4.671 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.329 10.193 -4.846 1.00 0.00 H new ATOM 401 N SER A 35 -1.582 10.427 -2.305 1.00 0.00 N ATOM 402 CA SER A 35 -0.314 10.472 -1.564 1.00 0.00 C ATOM 403 C SER A 35 -0.551 10.248 -0.069 1.00 0.00 C ATOM 404 O SER A 35 -0.033 9.282 0.482 1.00 0.00 O ATOM 405 CB SER A 35 0.392 11.807 -1.847 1.00 0.00 C ATOM 406 OG SER A 35 1.360 12.150 -0.872 1.00 0.00 O ATOM 0 H SER A 35 -1.728 11.249 -2.891 1.00 0.00 H new ATOM 0 HA SER A 35 0.337 9.665 -1.900 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.874 11.755 -2.823 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.354 12.600 -1.902 1.00 0.00 H new ATOM 0 HG SER A 35 1.774 13.006 -1.109 1.00 0.00 H new ATOM 411 N SER A 36 -1.413 11.045 0.573 1.00 0.00 N ATOM 412 CA SER A 36 -1.777 10.880 1.990 1.00 0.00 C ATOM 413 C SER A 36 -2.497 9.554 2.297 1.00 0.00 C ATOM 414 O SER A 36 -2.363 9.010 3.392 1.00 0.00 O ATOM 415 CB SER A 36 -2.621 12.074 2.450 1.00 0.00 C ATOM 416 OG SER A 36 -2.677 12.124 3.867 1.00 0.00 O ATOM 0 H SER A 36 -1.883 11.830 0.122 1.00 0.00 H new ATOM 0 HA SER A 36 -0.843 10.844 2.551 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.194 13.000 2.064 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.629 11.994 2.043 1.00 0.00 H new ATOM 0 HG SER A 36 -3.218 12.892 4.146 1.00 0.00 H new ATOM 421 N LEU A 37 -3.212 8.975 1.327 1.00 0.00 N ATOM 422 CA LEU A 37 -3.850 7.660 1.438 1.00 0.00 C ATOM 423 C LEU A 37 -2.791 6.553 1.494 1.00 0.00 C ATOM 424 O LEU A 37 -2.752 5.799 2.462 1.00 0.00 O ATOM 425 CB LEU A 37 -4.832 7.479 0.260 1.00 0.00 C ATOM 426 CG LEU A 37 -5.974 6.468 0.441 1.00 0.00 C ATOM 427 CD1 LEU A 37 -5.466 5.090 0.847 1.00 0.00 C ATOM 428 CD2 LEU A 37 -7.000 6.948 1.469 1.00 0.00 C ATOM 0 H LEU A 37 -3.367 9.419 0.422 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.417 7.593 2.366 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.274 8.450 0.038 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.256 7.183 -0.617 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.456 6.388 -0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.310 4.410 0.963 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.796 4.708 0.077 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.928 5.164 1.792 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.791 6.205 1.568 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.511 7.088 2.433 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.430 7.894 1.140 1.00 0.00 H new ATOM 439 N ALA A 38 -1.885 6.486 0.515 1.00 0.00 N ATOM 440 CA ALA A 38 -0.748 5.565 0.534 1.00 0.00 C ATOM 441 C ALA A 38 0.220 5.850 1.694 1.00 0.00 C ATOM 442 O ALA A 38 0.859 4.925 2.191 1.00 0.00 O ATOM 443 CB ALA A 38 -0.044 5.634 -0.820 1.00 0.00 C ATOM 0 H ALA A 38 -1.921 7.074 -0.318 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.117 4.554 0.704 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.807 4.953 -0.823 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.741 5.347 -1.607 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.305 6.651 -0.997 1.00 0.00 H new ATOM 449 N TYR A 39 0.284 7.095 2.178 1.00 0.00 N ATOM 450 CA TYR A 39 0.971 7.445 3.417 1.00 0.00 C ATOM 451 C TYR A 39 0.279 6.797 4.624 1.00 0.00 C ATOM 452 O TYR A 39 0.934 6.073 5.357 1.00 0.00 O ATOM 453 CB TYR A 39 1.085 8.970 3.568 1.00 0.00 C ATOM 454 CG TYR A 39 2.154 9.435 4.541 1.00 0.00 C ATOM 455 CD1 TYR A 39 3.494 9.524 4.115 1.00 0.00 C ATOM 456 CD2 TYR A 39 1.809 9.826 5.848 1.00 0.00 C ATOM 457 CE1 TYR A 39 4.496 9.977 4.996 1.00 0.00 C ATOM 458 CE2 TYR A 39 2.803 10.308 6.723 1.00 0.00 C ATOM 459 CZ TYR A 39 4.150 10.374 6.306 1.00 0.00 C ATOM 460 OH TYR A 39 5.095 10.843 7.165 1.00 0.00 O ATOM 0 H TYR A 39 -0.146 7.894 1.712 1.00 0.00 H new ATOM 0 HA TYR A 39 1.986 7.049 3.374 1.00 0.00 H new ATOM 0 HB2 TYR A 39 1.291 9.404 2.589 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.122 9.362 3.894 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.755 9.243 3.105 1.00 0.00 H new ATOM 0 HD2 TYR A 39 0.784 9.757 6.180 1.00 0.00 H new ATOM 0 HE1 TYR A 39 5.525 10.020 4.670 1.00 0.00 H new ATOM 0 HE2 TYR A 39 2.533 10.629 7.718 1.00 0.00 H new ATOM 0 HH TYR A 39 4.675 11.069 8.021 1.00 0.00 H new ATOM 469 N ASN A 40 -1.036 6.948 4.824 1.00 0.00 N ATOM 470 CA ASN A 40 -1.758 6.314 5.938 1.00 0.00 C ATOM 471 C ASN A 40 -1.772 4.772 5.849 1.00 0.00 C ATOM 472 O ASN A 40 -1.493 4.095 6.841 1.00 0.00 O ATOM 473 CB ASN A 40 -3.181 6.894 6.013 1.00 0.00 C ATOM 474 CG ASN A 40 -3.951 6.350 7.209 1.00 0.00 C ATOM 475 OD1 ASN A 40 -4.632 5.338 7.136 1.00 0.00 O ATOM 476 ND2 ASN A 40 -3.854 6.992 8.352 1.00 0.00 N ATOM 0 H ASN A 40 -1.631 7.513 4.219 1.00 0.00 H new ATOM 0 HA ASN A 40 -1.224 6.543 6.860 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -3.128 7.981 6.079 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -3.719 6.656 5.095 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -4.346 6.645 9.175 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -3.286 7.837 8.416 1.00 0.00 H new ATOM 482 N ILE A 41 -2.041 4.214 4.662 1.00 0.00 N ATOM 483 CA ILE A 41 -1.993 2.768 4.403 1.00 0.00 C ATOM 484 C ILE A 41 -0.580 2.215 4.650 1.00 0.00 C ATOM 485 O ILE A 41 -0.409 1.228 5.371 1.00 0.00 O ATOM 486 CB ILE A 41 -2.569 2.431 3.001 1.00 0.00 C ATOM 487 CG1 ILE A 41 -4.113 2.394 3.088 1.00 0.00 C ATOM 488 CG2 ILE A 41 -2.020 1.113 2.428 1.00 0.00 C ATOM 489 CD1 ILE A 41 -4.825 1.985 1.791 1.00 0.00 C ATOM 0 H ILE A 41 -2.302 4.762 3.842 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.641 2.256 5.115 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.251 3.212 2.310 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.401 1.700 3.878 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.469 3.380 3.385 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.459 0.932 1.447 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.936 1.181 2.333 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.275 0.291 3.097 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.903 1.988 1.951 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.574 2.691 1.000 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.505 0.985 1.500 1.00 0.00 H new ATOM 500 N GLY A 42 0.438 2.892 4.114 1.00 0.00 N ATOM 501 CA GLY A 42 1.844 2.559 4.310 1.00 0.00 C ATOM 502 C GLY A 42 2.312 2.729 5.754 1.00 0.00 C ATOM 503 O GLY A 42 3.044 1.876 6.239 1.00 0.00 O ATOM 0 H GLY A 42 0.300 3.707 3.517 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.012 1.527 4.000 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.453 3.189 3.662 1.00 0.00 H new ATOM 507 N LEU A 43 1.860 3.764 6.470 1.00 0.00 N ATOM 508 CA LEU A 43 2.152 3.991 7.891 1.00 0.00 C ATOM 509 C LEU A 43 1.577 2.881 8.772 1.00 0.00 C ATOM 510 O LEU A 43 2.266 2.441 9.690 1.00 0.00 O ATOM 511 CB LEU A 43 1.578 5.336 8.395 1.00 0.00 C ATOM 512 CG LEU A 43 2.396 6.626 8.176 1.00 0.00 C ATOM 513 CD1 LEU A 43 1.695 7.766 8.922 1.00 0.00 C ATOM 514 CD2 LEU A 43 3.827 6.540 8.706 1.00 0.00 C ATOM 0 H LEU A 43 1.264 4.487 6.067 1.00 0.00 H new ATOM 0 HA LEU A 43 3.239 4.003 7.967 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.607 5.478 7.921 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.399 5.237 9.466 1.00 0.00 H new ATOM 0 HG LEU A 43 2.453 6.789 7.100 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.255 8.691 8.782 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.685 7.891 8.530 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.645 7.529 9.985 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.342 7.482 8.518 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.807 6.346 9.778 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.354 5.731 8.201 1.00 0.00 H new ATOM 525 N SER A 44 0.342 2.425 8.532 1.00 0.00 N ATOM 526 CA SER A 44 -0.250 1.370 9.370 1.00 0.00 C ATOM 527 C SER A 44 0.398 0.001 9.111 1.00 0.00 C ATOM 528 O SER A 44 0.646 -0.754 10.053 1.00 0.00 O ATOM 529 CB SER A 44 -1.774 1.324 9.254 1.00 0.00 C ATOM 530 OG SER A 44 -2.312 0.648 10.379 1.00 0.00 O ATOM 0 H SER A 44 -0.259 2.761 7.780 1.00 0.00 H new ATOM 0 HA SER A 44 -0.030 1.630 10.406 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.176 2.336 9.197 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.065 0.813 8.336 1.00 0.00 H new ATOM 0 HG SER A 44 -3.289 0.619 10.307 1.00 0.00 H new ATOM 535 N ALA A 45 0.804 -0.286 7.866 1.00 0.00 N ATOM 536 CA ALA A 45 1.672 -1.428 7.569 1.00 0.00 C ATOM 537 C ALA A 45 3.054 -1.273 8.238 1.00 0.00 C ATOM 538 O ALA A 45 3.496 -2.165 8.960 1.00 0.00 O ATOM 539 CB ALA A 45 1.777 -1.609 6.048 1.00 0.00 C ATOM 0 H ALA A 45 0.542 0.262 7.047 1.00 0.00 H new ATOM 0 HA ALA A 45 1.231 -2.332 7.989 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.423 -2.459 5.826 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.785 -1.789 5.634 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.198 -0.708 5.603 1.00 0.00 H new ATOM 545 N ALA A 46 3.712 -0.121 8.070 1.00 0.00 N ATOM 546 CA ALA A 46 5.029 0.175 8.630 1.00 0.00 C ATOM 547 C ALA A 46 5.070 0.059 10.166 1.00 0.00 C ATOM 548 O ALA A 46 5.943 -0.630 10.696 1.00 0.00 O ATOM 549 CB ALA A 46 5.474 1.563 8.157 1.00 0.00 C ATOM 0 H ALA A 46 3.329 0.651 7.525 1.00 0.00 H new ATOM 0 HA ALA A 46 5.729 -0.577 8.265 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.456 1.791 8.571 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.527 1.577 7.068 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.756 2.310 8.495 1.00 0.00 H new ATOM 555 N ARG A 47 4.101 0.654 10.883 1.00 0.00 N ATOM 556 CA ARG A 47 4.038 0.611 12.356 1.00 0.00 C ATOM 557 C ARG A 47 3.748 -0.796 12.888 1.00 0.00 C ATOM 558 O ARG A 47 4.369 -1.216 13.862 1.00 0.00 O ATOM 559 CB ARG A 47 3.061 1.677 12.901 1.00 0.00 C ATOM 560 CG ARG A 47 1.576 1.291 12.800 1.00 0.00 C ATOM 561 CD ARG A 47 0.612 2.438 13.142 1.00 0.00 C ATOM 562 NE ARG A 47 0.639 2.769 14.583 1.00 0.00 N ATOM 563 CZ ARG A 47 1.322 3.727 15.183 1.00 0.00 C ATOM 564 NH1 ARG A 47 2.074 4.567 14.529 1.00 0.00 N ATOM 565 NH2 ARG A 47 1.264 3.856 16.478 1.00 0.00 N ATOM 0 H ARG A 47 3.337 1.180 10.457 1.00 0.00 H new ATOM 0 HA ARG A 47 5.028 0.864 12.736 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.302 1.873 13.946 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.219 2.608 12.357 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.368 0.944 11.788 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.382 0.454 13.470 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.878 3.321 12.561 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.401 2.159 12.852 1.00 0.00 H new ATOM 0 HE ARG A 47 0.059 2.186 15.187 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.152 4.499 13.514 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.585 5.293 15.032 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.691 3.217 17.029 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.792 4.596 16.941 1.00 0.00 H new ATOM 576 N SER A 48 2.876 -1.556 12.217 1.00 0.00 N ATOM 577 CA SER A 48 2.582 -2.960 12.549 1.00 0.00 C ATOM 578 C SER A 48 3.758 -3.908 12.268 1.00 0.00 C ATOM 579 O SER A 48 3.917 -4.913 12.964 1.00 0.00 O ATOM 580 CB SER A 48 1.339 -3.427 11.786 1.00 0.00 C ATOM 581 OG SER A 48 0.192 -2.765 12.300 1.00 0.00 O ATOM 0 H SER A 48 2.346 -1.211 11.417 1.00 0.00 H new ATOM 0 HA SER A 48 2.400 -2.997 13.623 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.450 -3.213 10.723 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.223 -4.506 11.883 1.00 0.00 H new ATOM 0 HG SER A 48 -0.002 -1.975 11.754 1.00 0.00 H new ATOM 586 N LEU A 49 4.622 -3.570 11.302 1.00 0.00 N ATOM 587 CA LEU A 49 5.889 -4.261 11.013 1.00 0.00 C ATOM 588 C LEU A 49 7.096 -3.685 11.796 1.00 0.00 C ATOM 589 O LEU A 49 8.204 -4.215 11.693 1.00 0.00 O ATOM 590 CB LEU A 49 6.138 -4.218 9.491 1.00 0.00 C ATOM 591 CG LEU A 49 5.093 -4.971 8.641 1.00 0.00 C ATOM 592 CD1 LEU A 49 5.348 -4.701 7.159 1.00 0.00 C ATOM 593 CD2 LEU A 49 5.123 -6.487 8.858 1.00 0.00 C ATOM 0 H LEU A 49 4.454 -2.781 10.678 1.00 0.00 H new ATOM 0 HA LEU A 49 5.795 -5.293 11.351 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.163 -3.176 9.171 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.123 -4.638 9.286 1.00 0.00 H new ATOM 0 HG LEU A 49 4.116 -4.603 8.955 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.609 -5.233 6.560 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.270 -3.631 6.965 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.347 -5.046 6.893 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.365 -6.959 8.233 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.107 -6.873 8.591 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.918 -6.709 9.905 1.00 0.00 H new ATOM 604 N GLY A 50 6.899 -2.627 12.591 1.00 0.00 N ATOM 605 CA GLY A 50 7.923 -1.992 13.433 1.00 0.00 C ATOM 606 C GLY A 50 9.076 -1.311 12.678 1.00 0.00 C ATOM 607 O GLY A 50 10.203 -1.288 13.182 1.00 0.00 O ATOM 0 H GLY A 50 5.990 -2.172 12.669 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.438 -1.249 14.065 1.00 0.00 H new ATOM 0 HA3 GLY A 50 8.343 -2.749 14.095 1.00 0.00 H new ATOM 611 N ILE A 51 8.829 -0.791 11.469 1.00 0.00 N ATOM 612 CA ILE A 51 9.826 -0.107 10.622 1.00 0.00 C ATOM 613 C ILE A 51 10.475 1.086 11.361 1.00 0.00 C ATOM 614 O ILE A 51 9.794 1.904 11.979 1.00 0.00 O ATOM 615 CB ILE A 51 9.161 0.331 9.293 1.00 0.00 C ATOM 616 CG1 ILE A 51 8.584 -0.850 8.474 1.00 0.00 C ATOM 617 CG2 ILE A 51 10.100 1.153 8.393 1.00 0.00 C ATOM 618 CD1 ILE A 51 9.603 -1.873 7.950 1.00 0.00 C ATOM 0 H ILE A 51 7.906 -0.833 11.037 1.00 0.00 H new ATOM 0 HA ILE A 51 10.633 -0.803 10.394 1.00 0.00 H new ATOM 0 HB ILE A 51 8.333 0.965 9.611 1.00 0.00 H new ATOM 0 HG12 ILE A 51 7.859 -1.376 9.095 1.00 0.00 H new ATOM 0 HG13 ILE A 51 8.039 -0.443 7.623 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.577 1.430 7.478 1.00 0.00 H new ATOM 0 HG22 ILE A 51 10.412 2.055 8.920 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.978 0.557 8.143 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.083 -2.652 7.393 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.316 -1.373 7.295 1.00 0.00 H new ATOM 0 HD13 ILE A 51 10.134 -2.321 8.790 1.00 0.00 H new ATOM 629 N ALA A 52 11.804 1.220 11.275 1.00 0.00 N ATOM 630 CA ALA A 52 12.608 2.233 11.987 1.00 0.00 C ATOM 631 C ALA A 52 12.581 3.654 11.360 1.00 0.00 C ATOM 632 O ALA A 52 13.435 4.490 11.663 1.00 0.00 O ATOM 633 CB ALA A 52 14.030 1.662 12.121 1.00 0.00 C ATOM 0 H ALA A 52 12.373 0.608 10.690 1.00 0.00 H new ATOM 0 HA ALA A 52 12.163 2.408 12.967 1.00 0.00 H new ATOM 0 HB1 ALA A 52 14.663 2.380 12.643 1.00 0.00 H new ATOM 0 HB2 ALA A 52 13.996 0.730 12.685 1.00 0.00 H new ATOM 0 HB3 ALA A 52 14.440 1.471 11.129 1.00 0.00 H new ATOM 639 N SER A 53 11.613 3.906 10.472 1.00 0.00 N ATOM 640 CA SER A 53 11.378 5.123 9.672 1.00 0.00 C ATOM 641 C SER A 53 10.039 4.971 8.931 1.00 0.00 C ATOM 642 O SER A 53 10.000 4.847 7.706 1.00 0.00 O ATOM 643 CB SER A 53 12.529 5.398 8.676 1.00 0.00 C ATOM 644 OG SER A 53 13.507 6.270 9.220 1.00 0.00 O ATOM 0 H SER A 53 10.905 3.199 10.273 1.00 0.00 H new ATOM 0 HA SER A 53 11.340 5.981 10.343 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.999 4.455 8.397 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.122 5.834 7.764 1.00 0.00 H new ATOM 0 HG SER A 53 13.765 5.957 10.112 1.00 0.00 H new ATOM 649 N ASP A 54 8.921 4.909 9.666 1.00 0.00 N ATOM 650 CA ASP A 54 7.585 4.730 9.063 1.00 0.00 C ATOM 651 C ASP A 54 7.303 5.803 7.996 1.00 0.00 C ATOM 652 O ASP A 54 6.804 5.495 6.916 1.00 0.00 O ATOM 653 CB ASP A 54 6.473 4.758 10.128 1.00 0.00 C ATOM 654 CG ASP A 54 6.720 3.815 11.309 1.00 0.00 C ATOM 655 OD1 ASP A 54 6.696 2.584 11.106 1.00 0.00 O ATOM 656 OD2 ASP A 54 6.912 4.318 12.444 1.00 0.00 O ATOM 0 H ASP A 54 8.911 4.980 10.683 1.00 0.00 H new ATOM 0 HA ASP A 54 7.586 3.750 8.586 1.00 0.00 H new ATOM 0 HB2 ASP A 54 6.369 5.776 10.504 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.526 4.494 9.657 1.00 0.00 H new ATOM 660 N THR A 55 7.719 7.044 8.276 1.00 0.00 N ATOM 661 CA THR A 55 7.699 8.201 7.365 1.00 0.00 C ATOM 662 C THR A 55 8.420 7.969 6.029 1.00 0.00 C ATOM 663 O THR A 55 7.956 8.450 4.995 1.00 0.00 O ATOM 664 CB THR A 55 8.264 9.441 8.090 1.00 0.00 C ATOM 665 OG1 THR A 55 8.143 10.594 7.285 1.00 0.00 O ATOM 666 CG2 THR A 55 9.739 9.319 8.494 1.00 0.00 C ATOM 0 H THR A 55 8.099 7.284 9.192 1.00 0.00 H new ATOM 0 HA THR A 55 6.655 8.365 7.097 1.00 0.00 H new ATOM 0 HB THR A 55 7.668 9.518 8.999 1.00 0.00 H new ATOM 0 HG1 THR A 55 7.195 10.803 7.154 1.00 0.00 H new ATOM 0 HG21 THR A 55 10.055 10.233 8.997 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.863 8.472 9.169 1.00 0.00 H new ATOM 0 HG23 THR A 55 10.349 9.166 7.604 1.00 0.00 H new ATOM 674 N ALA A 56 9.511 7.192 6.001 1.00 0.00 N ATOM 675 CA ALA A 56 10.233 6.879 4.765 1.00 0.00 C ATOM 676 C ALA A 56 9.524 5.798 3.938 1.00 0.00 C ATOM 677 O ALA A 56 9.415 5.944 2.720 1.00 0.00 O ATOM 678 CB ALA A 56 11.670 6.458 5.096 1.00 0.00 C ATOM 0 H ALA A 56 9.916 6.764 6.834 1.00 0.00 H new ATOM 0 HA ALA A 56 10.254 7.780 4.152 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.203 6.226 4.174 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.178 7.272 5.614 1.00 0.00 H new ATOM 0 HB3 ALA A 56 11.652 5.576 5.736 1.00 0.00 H new ATOM 684 N LEU A 57 8.995 4.745 4.582 1.00 0.00 N ATOM 685 CA LEU A 57 8.210 3.713 3.892 1.00 0.00 C ATOM 686 C LEU A 57 6.922 4.325 3.323 1.00 0.00 C ATOM 687 O LEU A 57 6.694 4.303 2.116 1.00 0.00 O ATOM 688 CB LEU A 57 7.907 2.532 4.839 1.00 0.00 C ATOM 689 CG LEU A 57 7.564 1.245 4.050 1.00 0.00 C ATOM 690 CD1 LEU A 57 8.639 0.181 4.275 1.00 0.00 C ATOM 691 CD2 LEU A 57 6.219 0.629 4.438 1.00 0.00 C ATOM 0 H LEU A 57 9.099 4.587 5.584 1.00 0.00 H new ATOM 0 HA LEU A 57 8.795 3.320 3.060 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.769 2.348 5.480 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.074 2.792 5.492 1.00 0.00 H new ATOM 0 HG LEU A 57 7.512 1.552 3.005 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.384 -0.718 3.714 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.603 0.560 3.935 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.697 -0.058 5.337 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.045 -0.269 3.845 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.230 0.368 5.496 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.422 1.348 4.250 1.00 0.00 H new ATOM 702 N ALA A 58 6.123 4.957 4.184 1.00 0.00 N ATOM 703 CA ALA A 58 4.893 5.652 3.827 1.00 0.00 C ATOM 704 C ALA A 58 5.118 6.780 2.806 1.00 0.00 C ATOM 705 O ALA A 58 4.314 6.943 1.893 1.00 0.00 O ATOM 706 CB ALA A 58 4.289 6.185 5.126 1.00 0.00 C ATOM 0 H ALA A 58 6.325 4.998 5.183 1.00 0.00 H new ATOM 0 HA ALA A 58 4.211 4.959 3.334 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.362 6.715 4.906 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.080 5.353 5.798 1.00 0.00 H new ATOM 0 HB3 ALA A 58 4.993 6.868 5.601 1.00 0.00 H new ATOM 712 N GLY A 59 6.222 7.527 2.913 1.00 0.00 N ATOM 713 CA GLY A 59 6.591 8.597 1.982 1.00 0.00 C ATOM 714 C GLY A 59 6.989 8.081 0.599 1.00 0.00 C ATOM 715 O GLY A 59 6.535 8.622 -0.407 1.00 0.00 O ATOM 0 H GLY A 59 6.898 7.401 3.666 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.752 9.285 1.878 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.420 9.166 2.403 1.00 0.00 H new ATOM 719 N ALA A 60 7.769 6.999 0.515 1.00 0.00 N ATOM 720 CA ALA A 60 8.080 6.343 -0.756 1.00 0.00 C ATOM 721 C ALA A 60 6.830 5.719 -1.412 1.00 0.00 C ATOM 722 O ALA A 60 6.647 5.824 -2.625 1.00 0.00 O ATOM 723 CB ALA A 60 9.185 5.308 -0.513 1.00 0.00 C ATOM 0 H ALA A 60 8.201 6.555 1.325 1.00 0.00 H new ATOM 0 HA ALA A 60 8.436 7.088 -1.467 1.00 0.00 H new ATOM 0 HB1 ALA A 60 9.429 4.809 -1.451 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.073 5.808 -0.126 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.839 4.570 0.211 1.00 0.00 H new ATOM 729 N LEU A 61 5.919 5.137 -0.620 1.00 0.00 N ATOM 730 CA LEU A 61 4.606 4.670 -1.087 1.00 0.00 C ATOM 731 C LEU A 61 3.703 5.822 -1.572 1.00 0.00 C ATOM 732 O LEU A 61 3.044 5.703 -2.607 1.00 0.00 O ATOM 733 CB LEU A 61 3.933 3.859 0.039 1.00 0.00 C ATOM 734 CG LEU A 61 4.615 2.509 0.349 1.00 0.00 C ATOM 735 CD1 LEU A 61 3.873 1.790 1.472 1.00 0.00 C ATOM 736 CD2 LEU A 61 4.693 1.622 -0.886 1.00 0.00 C ATOM 0 H LEU A 61 6.075 4.975 0.375 1.00 0.00 H new ATOM 0 HA LEU A 61 4.759 4.031 -1.957 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.920 4.462 0.947 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.894 3.673 -0.235 1.00 0.00 H new ATOM 0 HG LEU A 61 5.635 2.718 0.670 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.363 0.839 1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.883 2.409 2.369 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.842 1.607 1.168 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.179 0.681 -0.628 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.687 1.422 -1.254 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.269 2.127 -1.661 1.00 0.00 H new ATOM 747 N ALA A 62 3.715 6.961 -0.877 1.00 0.00 N ATOM 748 CA ALA A 62 3.029 8.187 -1.283 1.00 0.00 C ATOM 749 C ALA A 62 3.578 8.757 -2.606 1.00 0.00 C ATOM 750 O ALA A 62 2.802 9.106 -3.498 1.00 0.00 O ATOM 751 CB ALA A 62 3.143 9.187 -0.127 1.00 0.00 C ATOM 0 H ALA A 62 4.215 7.058 0.007 1.00 0.00 H new ATOM 0 HA ALA A 62 1.980 7.973 -1.486 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.640 10.115 -0.398 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.676 8.768 0.764 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.194 9.390 0.076 1.00 0.00 H new ATOM 757 N GLN A 63 4.906 8.779 -2.774 1.00 0.00 N ATOM 758 CA GLN A 63 5.589 9.135 -4.025 1.00 0.00 C ATOM 759 C GLN A 63 5.238 8.177 -5.178 1.00 0.00 C ATOM 760 O GLN A 63 5.078 8.624 -6.312 1.00 0.00 O ATOM 761 CB GLN A 63 7.111 9.146 -3.796 1.00 0.00 C ATOM 762 CG GLN A 63 7.592 10.331 -2.937 1.00 0.00 C ATOM 763 CD GLN A 63 8.964 10.084 -2.301 1.00 0.00 C ATOM 764 OE1 GLN A 63 9.835 9.414 -2.842 1.00 0.00 O ATOM 765 NE2 GLN A 63 9.213 10.611 -1.120 1.00 0.00 N ATOM 0 H GLN A 63 5.554 8.543 -2.022 1.00 0.00 H new ATOM 0 HA GLN A 63 5.246 10.128 -4.316 1.00 0.00 H new ATOM 0 HB2 GLN A 63 7.405 8.214 -3.313 1.00 0.00 H new ATOM 0 HB3 GLN A 63 7.616 9.178 -4.761 1.00 0.00 H new ATOM 0 HG2 GLN A 63 7.639 11.227 -3.556 1.00 0.00 H new ATOM 0 HG3 GLN A 63 6.862 10.525 -2.151 1.00 0.00 H new ATOM 0 HE21 GLN A 63 8.502 11.172 -0.652 1.00 0.00 H new ATOM 0 HE22 GLN A 63 10.117 10.458 -0.674 1.00 0.00 H new ATOM 772 N ALA A 64 5.075 6.876 -4.905 1.00 0.00 N ATOM 773 CA ALA A 64 4.672 5.883 -5.905 1.00 0.00 C ATOM 774 C ALA A 64 3.246 6.133 -6.431 1.00 0.00 C ATOM 775 O ALA A 64 3.037 6.212 -7.643 1.00 0.00 O ATOM 776 CB ALA A 64 4.821 4.485 -5.296 1.00 0.00 C ATOM 0 H ALA A 64 5.221 6.481 -3.976 1.00 0.00 H new ATOM 0 HA ALA A 64 5.324 5.969 -6.774 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.524 3.735 -6.029 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.860 4.322 -5.010 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.185 4.402 -4.415 1.00 0.00 H new ATOM 782 N VAL A 65 2.273 6.332 -5.534 1.00 0.00 N ATOM 783 CA VAL A 65 0.891 6.702 -5.896 1.00 0.00 C ATOM 784 C VAL A 65 0.821 8.050 -6.620 1.00 0.00 C ATOM 785 O VAL A 65 0.203 8.145 -7.682 1.00 0.00 O ATOM 786 CB VAL A 65 -0.010 6.664 -4.646 1.00 0.00 C ATOM 787 CG1 VAL A 65 -1.259 7.539 -4.742 1.00 0.00 C ATOM 788 CG2 VAL A 65 -0.417 5.211 -4.383 1.00 0.00 C ATOM 0 H VAL A 65 2.419 6.241 -4.529 1.00 0.00 H new ATOM 0 HA VAL A 65 0.518 5.965 -6.607 1.00 0.00 H new ATOM 0 HB VAL A 65 0.574 7.076 -3.823 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.835 7.453 -3.821 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.965 8.578 -4.890 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.869 7.211 -5.584 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.056 5.166 -3.501 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.961 4.824 -5.245 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.475 4.608 -4.216 1.00 0.00 H new ATOM 798 N GLY A 66 1.523 9.068 -6.115 1.00 0.00 N ATOM 799 CA GLY A 66 1.676 10.366 -6.782 1.00 0.00 C ATOM 800 C GLY A 66 2.396 10.295 -8.142 1.00 0.00 C ATOM 801 O GLY A 66 2.310 11.236 -8.933 1.00 0.00 O ATOM 0 H GLY A 66 2.008 9.014 -5.219 1.00 0.00 H new ATOM 0 HA2 GLY A 66 0.689 10.805 -6.928 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.229 11.037 -6.125 1.00 0.00 H new ATOM 805 N GLY A 67 3.070 9.178 -8.437 1.00 0.00 N ATOM 806 CA GLY A 67 3.755 8.906 -9.701 1.00 0.00 C ATOM 807 C GLY A 67 2.816 8.464 -10.830 1.00 0.00 C ATOM 808 O GLY A 67 3.064 8.798 -11.991 1.00 0.00 O ATOM 0 H GLY A 67 3.155 8.409 -7.773 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.289 9.803 -10.015 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.503 8.130 -9.539 1.00 0.00 H new ATOM 812 N VAL A 68 1.720 7.756 -10.512 1.00 0.00 N ATOM 813 CA VAL A 68 0.681 7.385 -11.494 1.00 0.00 C ATOM 814 C VAL A 68 -0.198 8.595 -11.851 1.00 0.00 C ATOM 815 O VAL A 68 -0.381 8.885 -13.036 1.00 0.00 O ATOM 816 CB VAL A 68 -0.186 6.212 -10.985 1.00 0.00 C ATOM 817 CG1 VAL A 68 -1.271 5.819 -11.995 1.00 0.00 C ATOM 818 CG2 VAL A 68 0.657 4.953 -10.740 1.00 0.00 C ATOM 0 H VAL A 68 1.527 7.423 -9.567 1.00 0.00 H new ATOM 0 HA VAL A 68 1.191 7.054 -12.399 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.637 6.567 -10.058 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.857 4.991 -11.596 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.925 6.672 -12.176 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.803 5.515 -12.931 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.014 4.149 -10.383 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.136 4.649 -11.671 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.421 5.166 -9.992 1.00 0.00 H new ATOM 828 N GLY A 69 -0.725 9.312 -10.849 1.00 0.00 N ATOM 829 CA GLY A 69 -1.589 10.493 -11.027 1.00 0.00 C ATOM 830 C GLY A 69 -2.873 10.456 -10.185 1.00 0.00 C ATOM 831 O GLY A 69 -2.963 9.713 -9.208 1.00 0.00 O ATOM 0 H GLY A 69 -0.560 9.084 -9.869 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.023 11.388 -10.769 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.859 10.579 -12.080 1.00 0.00 H new ATOM 835 N ALA A 70 -3.885 11.237 -10.575 1.00 0.00 N ATOM 836 CA ALA A 70 -5.231 11.233 -9.980 1.00 0.00 C ATOM 837 C ALA A 70 -6.288 10.711 -10.977 1.00 0.00 C ATOM 838 O ALA A 70 -6.204 10.968 -12.182 1.00 0.00 O ATOM 839 CB ALA A 70 -5.559 12.646 -9.483 1.00 0.00 C ATOM 0 H ALA A 70 -3.791 11.910 -11.335 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.250 10.548 -9.132 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.555 12.654 -9.040 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.826 12.948 -8.734 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.529 13.343 -10.321 1.00 0.00 H new ATOM 845 N GLY A 71 -7.291 9.978 -10.479 1.00 0.00 N ATOM 846 CA GLY A 71 -8.348 9.364 -11.297 1.00 0.00 C ATOM 847 C GLY A 71 -7.919 8.110 -12.080 1.00 0.00 C ATOM 848 O GLY A 71 -8.631 7.695 -12.999 1.00 0.00 O ATOM 0 H GLY A 71 -7.394 9.791 -9.482 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.182 9.100 -10.647 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.717 10.107 -12.004 1.00 0.00 H new ATOM 852 N ALA A 72 -6.766 7.513 -11.753 1.00 0.00 N ATOM 853 CA ALA A 72 -6.303 6.251 -12.341 1.00 0.00 C ATOM 854 C ALA A 72 -7.121 5.032 -11.851 1.00 0.00 C ATOM 855 O ALA A 72 -7.982 5.146 -10.973 1.00 0.00 O ATOM 856 CB ALA A 72 -4.804 6.108 -12.041 1.00 0.00 C ATOM 0 H ALA A 72 -6.121 7.898 -11.064 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.459 6.275 -13.419 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.435 5.176 -12.468 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.264 6.947 -12.479 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.648 6.099 -10.962 1.00 0.00 H new ATOM 862 N SER A 73 -6.854 3.843 -12.407 1.00 0.00 N ATOM 863 CA SER A 73 -7.451 2.588 -11.921 1.00 0.00 C ATOM 864 C SER A 73 -6.966 2.241 -10.509 1.00 0.00 C ATOM 865 O SER A 73 -5.790 2.432 -10.189 1.00 0.00 O ATOM 866 CB SER A 73 -7.121 1.432 -12.873 1.00 0.00 C ATOM 867 OG SER A 73 -7.750 0.239 -12.421 1.00 0.00 O ATOM 0 H SER A 73 -6.224 3.722 -13.200 1.00 0.00 H new ATOM 0 HA SER A 73 -8.530 2.735 -11.887 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.458 1.672 -13.881 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.042 1.288 -12.924 1.00 0.00 H new ATOM 0 HG SER A 73 -7.537 -0.495 -13.034 1.00 0.00 H new ATOM 872 N ALA A 74 -7.837 1.643 -9.688 1.00 0.00 N ATOM 873 CA ALA A 74 -7.467 1.038 -8.407 1.00 0.00 C ATOM 874 C ALA A 74 -6.253 0.102 -8.529 1.00 0.00 C ATOM 875 O ALA A 74 -5.326 0.180 -7.722 1.00 0.00 O ATOM 876 CB ALA A 74 -8.686 0.283 -7.863 1.00 0.00 C ATOM 0 H ALA A 74 -8.832 1.566 -9.899 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.170 1.829 -7.718 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.433 -0.176 -6.908 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.513 0.980 -7.723 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.980 -0.491 -8.571 1.00 0.00 H new ATOM 882 N SER A 75 -6.219 -0.733 -9.574 1.00 0.00 N ATOM 883 CA SER A 75 -5.102 -1.643 -9.845 1.00 0.00 C ATOM 884 C SER A 75 -3.788 -0.910 -10.159 1.00 0.00 C ATOM 885 O SER A 75 -2.718 -1.412 -9.828 1.00 0.00 O ATOM 886 CB SER A 75 -5.475 -2.600 -10.983 1.00 0.00 C ATOM 887 OG SER A 75 -4.557 -3.680 -11.050 1.00 0.00 O ATOM 0 H SER A 75 -6.972 -0.796 -10.260 1.00 0.00 H new ATOM 0 HA SER A 75 -4.922 -2.210 -8.932 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.484 -2.983 -10.827 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.481 -2.062 -11.931 1.00 0.00 H new ATOM 0 HG SER A 75 -4.812 -4.281 -11.781 1.00 0.00 H new ATOM 892 N ALA A 76 -3.830 0.301 -10.731 1.00 0.00 N ATOM 893 CA ALA A 76 -2.626 1.092 -11.009 1.00 0.00 C ATOM 894 C ALA A 76 -1.998 1.670 -9.727 1.00 0.00 C ATOM 895 O ALA A 76 -0.790 1.536 -9.524 1.00 0.00 O ATOM 896 CB ALA A 76 -2.967 2.198 -12.016 1.00 0.00 C ATOM 0 H ALA A 76 -4.697 0.758 -11.013 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.874 0.432 -11.442 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -2.074 2.788 -12.225 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.330 1.749 -12.941 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.739 2.844 -11.599 1.00 0.00 H new ATOM 902 N TYR A 77 -2.808 2.236 -8.823 1.00 0.00 N ATOM 903 CA TYR A 77 -2.360 2.645 -7.482 1.00 0.00 C ATOM 904 C TYR A 77 -1.833 1.463 -6.675 1.00 0.00 C ATOM 905 O TYR A 77 -0.766 1.532 -6.063 1.00 0.00 O ATOM 906 CB TYR A 77 -3.527 3.255 -6.703 1.00 0.00 C ATOM 907 CG TYR A 77 -4.044 4.541 -7.294 1.00 0.00 C ATOM 908 CD1 TYR A 77 -3.239 5.686 -7.225 1.00 0.00 C ATOM 909 CD2 TYR A 77 -5.308 4.600 -7.909 1.00 0.00 C ATOM 910 CE1 TYR A 77 -3.697 6.901 -7.757 1.00 0.00 C ATOM 911 CE2 TYR A 77 -5.782 5.817 -8.427 1.00 0.00 C ATOM 912 CZ TYR A 77 -4.965 6.963 -8.372 1.00 0.00 C ATOM 913 OH TYR A 77 -5.370 8.117 -8.951 1.00 0.00 O ATOM 0 H TYR A 77 -3.795 2.424 -9.000 1.00 0.00 H new ATOM 0 HA TYR A 77 -1.559 3.371 -7.623 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -4.341 2.532 -6.661 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -3.210 3.439 -5.676 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.265 5.633 -6.762 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.914 3.709 -7.983 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.081 7.786 -7.696 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.768 5.873 -8.865 1.00 0.00 H new ATOM 0 HH TYR A 77 -4.587 8.623 -9.255 1.00 0.00 H new ATOM 922 N ALA A 78 -2.573 0.357 -6.709 1.00 0.00 N ATOM 923 CA ALA A 78 -2.198 -0.865 -6.034 1.00 0.00 C ATOM 924 C ALA A 78 -0.887 -1.446 -6.565 1.00 0.00 C ATOM 925 O ALA A 78 -0.051 -1.858 -5.770 1.00 0.00 O ATOM 926 CB ALA A 78 -3.325 -1.866 -6.207 1.00 0.00 C ATOM 0 H ALA A 78 -3.457 0.292 -7.213 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.033 -0.644 -4.979 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.064 -2.798 -5.705 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.240 -1.463 -5.772 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.482 -2.057 -7.269 1.00 0.00 H new ATOM 932 N ASN A 79 -0.672 -1.444 -7.883 1.00 0.00 N ATOM 933 CA ASN A 79 0.585 -1.880 -8.482 1.00 0.00 C ATOM 934 C ASN A 79 1.728 -0.920 -8.126 1.00 0.00 C ATOM 935 O ASN A 79 2.808 -1.387 -7.790 1.00 0.00 O ATOM 936 CB ASN A 79 0.416 -2.058 -10.000 1.00 0.00 C ATOM 937 CG ASN A 79 1.522 -2.912 -10.599 1.00 0.00 C ATOM 938 OD1 ASN A 79 1.599 -4.112 -10.377 1.00 0.00 O ATOM 939 ND2 ASN A 79 2.408 -2.347 -11.387 1.00 0.00 N ATOM 0 H ASN A 79 -1.368 -1.139 -8.563 1.00 0.00 H new ATOM 0 HA ASN A 79 0.857 -2.851 -8.068 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.550 -2.519 -10.206 1.00 0.00 H new ATOM 0 HB3 ASN A 79 0.412 -1.080 -10.482 1.00 0.00 H new ATOM 0 HD21 ASN A 79 3.149 -2.908 -11.806 1.00 0.00 H new ATOM 0 HD22 ASN A 79 2.355 -1.347 -11.580 1.00 0.00 H new ATOM 945 N ALA A 80 1.495 0.398 -8.103 1.00 0.00 N ATOM 946 CA ALA A 80 2.480 1.366 -7.617 1.00 0.00 C ATOM 947 C ALA A 80 2.909 1.076 -6.166 1.00 0.00 C ATOM 948 O ALA A 80 4.104 1.047 -5.884 1.00 0.00 O ATOM 949 CB ALA A 80 1.932 2.790 -7.784 1.00 0.00 C ATOM 0 H ALA A 80 0.622 0.820 -8.420 1.00 0.00 H new ATOM 0 HA ALA A 80 3.383 1.272 -8.219 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.668 3.508 -7.421 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.728 2.980 -8.838 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.010 2.895 -7.212 1.00 0.00 H new ATOM 955 N ILE A 81 1.966 0.792 -5.258 1.00 0.00 N ATOM 956 CA ILE A 81 2.260 0.458 -3.852 1.00 0.00 C ATOM 957 C ILE A 81 2.880 -0.936 -3.714 1.00 0.00 C ATOM 958 O ILE A 81 3.883 -1.080 -3.025 1.00 0.00 O ATOM 959 CB ILE A 81 0.989 0.603 -2.982 1.00 0.00 C ATOM 960 CG1 ILE A 81 0.579 2.087 -2.905 1.00 0.00 C ATOM 961 CG2 ILE A 81 1.186 0.065 -1.551 1.00 0.00 C ATOM 962 CD1 ILE A 81 -0.889 2.266 -2.519 1.00 0.00 C ATOM 0 H ILE A 81 0.970 0.787 -5.477 1.00 0.00 H new ATOM 0 HA ILE A 81 3.003 1.169 -3.489 1.00 0.00 H new ATOM 0 HB ILE A 81 0.208 0.009 -3.457 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.208 2.598 -2.176 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.759 2.561 -3.870 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.263 0.192 -0.984 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.444 -0.993 -1.592 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.990 0.616 -1.063 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.128 3.329 -2.478 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -1.522 1.780 -3.261 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.066 1.817 -1.542 1.00 0.00 H new ATOM 973 N ALA A 82 2.336 -1.961 -4.372 1.00 0.00 N ATOM 974 CA ALA A 82 2.849 -3.329 -4.319 1.00 0.00 C ATOM 975 C ALA A 82 4.256 -3.443 -4.928 1.00 0.00 C ATOM 976 O ALA A 82 5.098 -4.154 -4.378 1.00 0.00 O ATOM 977 CB ALA A 82 1.856 -4.270 -5.014 1.00 0.00 C ATOM 0 H ALA A 82 1.513 -1.861 -4.966 1.00 0.00 H new ATOM 0 HA ALA A 82 2.947 -3.622 -3.274 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.235 -5.291 -4.976 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.893 -4.222 -4.506 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.734 -3.966 -6.054 1.00 0.00 H new ATOM 983 N ARG A 83 4.553 -2.705 -6.009 1.00 0.00 N ATOM 984 CA ARG A 83 5.915 -2.578 -6.542 1.00 0.00 C ATOM 985 C ARG A 83 6.802 -1.714 -5.657 1.00 0.00 C ATOM 986 O ARG A 83 7.924 -2.126 -5.412 1.00 0.00 O ATOM 987 CB ARG A 83 5.937 -2.042 -7.981 1.00 0.00 C ATOM 988 CG ARG A 83 5.359 -3.045 -8.993 1.00 0.00 C ATOM 989 CD ARG A 83 5.752 -2.665 -10.427 1.00 0.00 C ATOM 990 NE ARG A 83 7.152 -3.036 -10.717 1.00 0.00 N ATOM 991 CZ ARG A 83 7.776 -2.937 -11.877 1.00 0.00 C ATOM 992 NH1 ARG A 83 7.239 -2.347 -12.907 1.00 0.00 N ATOM 993 NH2 ARG A 83 8.967 -3.444 -12.025 1.00 0.00 N ATOM 0 H ARG A 83 3.855 -2.181 -6.537 1.00 0.00 H new ATOM 0 HA ARG A 83 6.318 -3.591 -6.551 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.367 -1.114 -8.028 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.963 -1.800 -8.259 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.722 -4.047 -8.766 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.273 -3.072 -8.904 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.088 -3.164 -11.133 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.621 -1.592 -10.570 1.00 0.00 H new ATOM 0 HE ARG A 83 7.695 -3.409 -9.938 1.00 0.00 H new ATOM 0 HH11 ARG A 83 6.306 -1.942 -12.834 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.752 -2.290 -13.787 1.00 0.00 H new ATOM 0 HH21 ARG A 83 9.420 -3.919 -11.244 1.00 0.00 H new ATOM 0 HH22 ARG A 83 9.447 -3.366 -12.922 1.00 0.00 H new ATOM 1004 N ALA A 84 6.349 -0.578 -5.124 1.00 0.00 N ATOM 1005 CA ALA A 84 7.185 0.241 -4.240 1.00 0.00 C ATOM 1006 C ALA A 84 7.531 -0.482 -2.924 1.00 0.00 C ATOM 1007 O ALA A 84 8.703 -0.541 -2.560 1.00 0.00 O ATOM 1008 CB ALA A 84 6.519 1.600 -4.018 1.00 0.00 C ATOM 0 H ALA A 84 5.414 -0.204 -5.287 1.00 0.00 H new ATOM 0 HA ALA A 84 8.145 0.412 -4.727 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.142 2.207 -3.361 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.399 2.107 -4.975 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.541 1.455 -3.559 1.00 0.00 H new ATOM 1014 N ALA A 85 6.560 -1.117 -2.257 1.00 0.00 N ATOM 1015 CA ALA A 85 6.791 -2.008 -1.118 1.00 0.00 C ATOM 1016 C ALA A 85 7.647 -3.228 -1.505 1.00 0.00 C ATOM 1017 O ALA A 85 8.580 -3.570 -0.784 1.00 0.00 O ATOM 1018 CB ALA A 85 5.444 -2.463 -0.536 1.00 0.00 C ATOM 0 H ALA A 85 5.574 -1.023 -2.500 1.00 0.00 H new ATOM 0 HA ALA A 85 7.346 -1.451 -0.363 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.619 -3.126 0.311 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.878 -1.592 -0.205 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.878 -2.994 -1.301 1.00 0.00 H new ATOM 1024 N GLY A 86 7.380 -3.857 -2.653 1.00 0.00 N ATOM 1025 CA GLY A 86 8.138 -5.013 -3.143 1.00 0.00 C ATOM 1026 C GLY A 86 9.597 -4.688 -3.451 1.00 0.00 C ATOM 1027 O GLY A 86 10.489 -5.399 -3.006 1.00 0.00 O ATOM 0 H GLY A 86 6.623 -3.575 -3.276 1.00 0.00 H new ATOM 0 HA2 GLY A 86 8.099 -5.807 -2.398 1.00 0.00 H new ATOM 0 HA3 GLY A 86 7.660 -5.397 -4.044 1.00 0.00 H new ATOM 1031 N GLN A 87 9.860 -3.577 -4.140 1.00 0.00 N ATOM 1032 CA GLN A 87 11.197 -3.028 -4.376 1.00 0.00 C ATOM 1033 C GLN A 87 11.881 -2.627 -3.062 1.00 0.00 C ATOM 1034 O GLN A 87 13.070 -2.892 -2.901 1.00 0.00 O ATOM 1035 CB GLN A 87 11.118 -1.818 -5.324 1.00 0.00 C ATOM 1036 CG GLN A 87 10.805 -2.210 -6.779 1.00 0.00 C ATOM 1037 CD GLN A 87 10.563 -0.977 -7.651 1.00 0.00 C ATOM 1038 OE1 GLN A 87 9.439 -0.596 -7.951 1.00 0.00 O ATOM 1039 NE2 GLN A 87 11.603 -0.297 -8.092 1.00 0.00 N ATOM 0 H GLN A 87 9.122 -3.014 -4.564 1.00 0.00 H new ATOM 0 HA GLN A 87 11.799 -3.808 -4.842 1.00 0.00 H new ATOM 0 HB2 GLN A 87 10.350 -1.133 -4.965 1.00 0.00 H new ATOM 0 HB3 GLN A 87 12.065 -1.279 -5.295 1.00 0.00 H new ATOM 0 HG2 GLN A 87 11.633 -2.789 -7.187 1.00 0.00 H new ATOM 0 HG3 GLN A 87 9.925 -2.852 -6.803 1.00 0.00 H new ATOM 0 HE21 GLN A 87 12.548 -0.598 -7.853 1.00 0.00 H new ATOM 0 HE22 GLN A 87 11.463 0.530 -8.672 1.00 0.00 H new ATOM 1046 N PHE A 88 11.152 -2.056 -2.095 1.00 0.00 N ATOM 1047 CA PHE A 88 11.694 -1.764 -0.765 1.00 0.00 C ATOM 1048 C PHE A 88 12.122 -3.054 -0.043 1.00 0.00 C ATOM 1049 O PHE A 88 13.255 -3.163 0.415 1.00 0.00 O ATOM 1050 CB PHE A 88 10.680 -0.943 0.051 1.00 0.00 C ATOM 1051 CG PHE A 88 11.291 -0.159 1.197 1.00 0.00 C ATOM 1052 CD1 PHE A 88 11.601 -0.792 2.416 1.00 0.00 C ATOM 1053 CD2 PHE A 88 11.544 1.219 1.042 1.00 0.00 C ATOM 1054 CE1 PHE A 88 12.173 -0.053 3.469 1.00 0.00 C ATOM 1055 CE2 PHE A 88 12.104 1.960 2.098 1.00 0.00 C ATOM 1056 CZ PHE A 88 12.420 1.323 3.311 1.00 0.00 C ATOM 0 H PHE A 88 10.176 -1.785 -2.213 1.00 0.00 H new ATOM 0 HA PHE A 88 12.594 -1.160 -0.875 1.00 0.00 H new ATOM 0 HB2 PHE A 88 10.170 -0.249 -0.617 1.00 0.00 H new ATOM 0 HB3 PHE A 88 9.922 -1.617 0.450 1.00 0.00 H new ATOM 0 HD1 PHE A 88 11.400 -1.845 2.543 1.00 0.00 H new ATOM 0 HD2 PHE A 88 11.307 1.708 0.109 1.00 0.00 H new ATOM 0 HE1 PHE A 88 12.422 -0.543 4.399 1.00 0.00 H new ATOM 0 HE2 PHE A 88 12.291 3.017 1.977 1.00 0.00 H new ATOM 0 HZ PHE A 88 12.853 1.890 4.122 1.00 0.00 H new ATOM 1065 N LEU A 89 11.270 -4.083 0.002 1.00 0.00 N ATOM 1066 CA LEU A 89 11.623 -5.388 0.576 1.00 0.00 C ATOM 1067 C LEU A 89 12.675 -6.157 -0.252 1.00 0.00 C ATOM 1068 O LEU A 89 13.406 -6.971 0.315 1.00 0.00 O ATOM 1069 CB LEU A 89 10.345 -6.208 0.844 1.00 0.00 C ATOM 1070 CG LEU A 89 9.377 -5.574 1.871 1.00 0.00 C ATOM 1071 CD1 LEU A 89 8.294 -6.578 2.251 1.00 0.00 C ATOM 1072 CD2 LEU A 89 10.043 -5.099 3.165 1.00 0.00 C ATOM 0 H LEU A 89 10.317 -4.036 -0.358 1.00 0.00 H new ATOM 0 HA LEU A 89 12.115 -5.209 1.532 1.00 0.00 H new ATOM 0 HB2 LEU A 89 9.814 -6.347 -0.098 1.00 0.00 H new ATOM 0 HB3 LEU A 89 10.632 -7.198 1.198 1.00 0.00 H new ATOM 0 HG LEU A 89 8.970 -4.695 1.371 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.616 -6.125 2.974 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.735 -6.865 1.360 1.00 0.00 H new ATOM 0 HD13 LEU A 89 8.756 -7.462 2.690 1.00 0.00 H new ATOM 0 HD21 LEU A 89 9.290 -4.669 3.825 1.00 0.00 H new ATOM 0 HD22 LEU A 89 10.520 -5.945 3.661 1.00 0.00 H new ATOM 0 HD23 LEU A 89 10.794 -4.345 2.932 1.00 0.00 H new ATOM 1083 N ALA A 90 12.828 -5.873 -1.551 1.00 0.00 N ATOM 1084 CA ALA A 90 13.950 -6.341 -2.366 1.00 0.00 C ATOM 1085 C ALA A 90 15.279 -5.707 -1.915 1.00 0.00 C ATOM 1086 O ALA A 90 16.242 -6.425 -1.643 1.00 0.00 O ATOM 1087 CB ALA A 90 13.678 -6.049 -3.853 1.00 0.00 C ATOM 0 H ALA A 90 12.163 -5.302 -2.072 1.00 0.00 H new ATOM 0 HA ALA A 90 14.044 -7.418 -2.230 1.00 0.00 H new ATOM 0 HB1 ALA A 90 14.518 -6.400 -4.452 1.00 0.00 H new ATOM 0 HB2 ALA A 90 12.769 -6.564 -4.165 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.554 -4.976 -3.996 1.00 0.00 H new ATOM 1093 N THR A 91 15.340 -4.374 -1.779 1.00 0.00 N ATOM 1094 CA THR A 91 16.560 -3.655 -1.360 1.00 0.00 C ATOM 1095 C THR A 91 16.911 -3.870 0.118 1.00 0.00 C ATOM 1096 O THR A 91 18.094 -3.901 0.462 1.00 0.00 O ATOM 1097 CB THR A 91 16.496 -2.147 -1.665 1.00 0.00 C ATOM 1098 OG1 THR A 91 15.410 -1.527 -1.016 1.00 0.00 O ATOM 1099 CG2 THR A 91 16.381 -1.866 -3.165 1.00 0.00 C ATOM 0 H THR A 91 14.545 -3.760 -1.956 1.00 0.00 H new ATOM 0 HA THR A 91 17.357 -4.094 -1.960 1.00 0.00 H new ATOM 0 HB THR A 91 17.432 -1.733 -1.291 1.00 0.00 H new ATOM 0 HG1 THR A 91 14.857 -2.209 -0.580 1.00 0.00 H new ATOM 0 HG21 THR A 91 16.339 -0.790 -3.331 1.00 0.00 H new ATOM 0 HG22 THR A 91 17.248 -2.279 -3.680 1.00 0.00 H new ATOM 0 HG23 THR A 91 15.474 -2.329 -3.553 1.00 0.00 H new ATOM 1107 N GLN A 92 15.921 -4.111 0.989 1.00 0.00 N ATOM 1108 CA GLN A 92 16.140 -4.583 2.367 1.00 0.00 C ATOM 1109 C GLN A 92 16.560 -6.068 2.460 1.00 0.00 C ATOM 1110 O GLN A 92 16.923 -6.530 3.544 1.00 0.00 O ATOM 1111 CB GLN A 92 14.886 -4.339 3.233 1.00 0.00 C ATOM 1112 CG GLN A 92 14.510 -2.862 3.453 1.00 0.00 C ATOM 1113 CD GLN A 92 15.690 -1.975 3.838 1.00 0.00 C ATOM 1114 OE1 GLN A 92 16.223 -2.036 4.938 1.00 0.00 O ATOM 1115 NE2 GLN A 92 16.152 -1.126 2.942 1.00 0.00 N ATOM 0 H GLN A 92 14.936 -3.983 0.756 1.00 0.00 H new ATOM 0 HA GLN A 92 16.977 -3.998 2.748 1.00 0.00 H new ATOM 0 HB2 GLN A 92 14.040 -4.846 2.768 1.00 0.00 H new ATOM 0 HB3 GLN A 92 15.041 -4.805 4.206 1.00 0.00 H new ATOM 0 HG2 GLN A 92 14.058 -2.473 2.541 1.00 0.00 H new ATOM 0 HG3 GLN A 92 13.753 -2.802 4.235 1.00 0.00 H new ATOM 0 HE21 GLN A 92 15.715 -1.067 2.022 1.00 0.00 H new ATOM 0 HE22 GLN A 92 16.947 -0.528 3.168 1.00 0.00 H new ATOM 1122 N GLY A 93 16.507 -6.836 1.363 1.00 0.00 N ATOM 1123 CA GLY A 93 16.804 -8.277 1.353 1.00 0.00 C ATOM 1124 C GLY A 93 15.788 -9.141 2.119 1.00 0.00 C ATOM 1125 O GLY A 93 16.105 -10.267 2.507 1.00 0.00 O ATOM 0 H GLY A 93 16.253 -6.470 0.445 1.00 0.00 H new ATOM 0 HA2 GLY A 93 16.847 -8.619 0.319 1.00 0.00 H new ATOM 0 HA3 GLY A 93 17.793 -8.435 1.783 1.00 0.00 H new ATOM 1129 N VAL A 94 14.578 -8.621 2.361 1.00 0.00 N ATOM 1130 CA VAL A 94 13.446 -9.355 2.960 1.00 0.00 C ATOM 1131 C VAL A 94 12.827 -10.345 1.963 1.00 0.00 C ATOM 1132 O VAL A 94 12.296 -11.374 2.380 1.00 0.00 O ATOM 1133 CB VAL A 94 12.402 -8.357 3.508 1.00 0.00 C ATOM 1134 CG1 VAL A 94 11.026 -8.964 3.816 1.00 0.00 C ATOM 1135 CG2 VAL A 94 12.932 -7.731 4.805 1.00 0.00 C ATOM 0 H VAL A 94 14.349 -7.652 2.141 1.00 0.00 H new ATOM 0 HA VAL A 94 13.818 -9.949 3.795 1.00 0.00 H new ATOM 0 HB VAL A 94 12.258 -7.627 2.712 1.00 0.00 H new ATOM 0 HG11 VAL A 94 10.362 -8.187 4.195 1.00 0.00 H new ATOM 0 HG12 VAL A 94 10.604 -9.389 2.906 1.00 0.00 H new ATOM 0 HG13 VAL A 94 11.134 -9.747 4.566 1.00 0.00 H new ATOM 0 HG21 VAL A 94 12.198 -7.026 5.195 1.00 0.00 H new ATOM 0 HG22 VAL A 94 13.109 -8.515 5.541 1.00 0.00 H new ATOM 0 HG23 VAL A 94 13.866 -7.207 4.601 1.00 0.00 H new ATOM 1145 N LEU A 95 12.928 -10.088 0.654 1.00 0.00 N ATOM 1146 CA LEU A 95 12.570 -11.063 -0.383 1.00 0.00 C ATOM 1147 C LEU A 95 13.638 -12.167 -0.519 1.00 0.00 C ATOM 1148 O LEU A 95 14.821 -11.884 -0.717 1.00 0.00 O ATOM 1149 CB LEU A 95 12.330 -10.340 -1.723 1.00 0.00 C ATOM 1150 CG LEU A 95 11.154 -9.346 -1.710 1.00 0.00 C ATOM 1151 CD1 LEU A 95 10.937 -8.759 -3.105 1.00 0.00 C ATOM 1152 CD2 LEU A 95 9.834 -9.982 -1.286 1.00 0.00 C ATOM 0 H LEU A 95 13.260 -9.198 0.283 1.00 0.00 H new ATOM 0 HA LEU A 95 11.645 -11.557 -0.086 1.00 0.00 H new ATOM 0 HB2 LEU A 95 13.238 -9.805 -2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 95 12.150 -11.086 -2.497 1.00 0.00 H new ATOM 0 HG LEU A 95 11.429 -8.580 -0.985 1.00 0.00 H new ATOM 0 HD11 LEU A 95 10.102 -8.058 -3.079 1.00 0.00 H new ATOM 0 HD12 LEU A 95 11.839 -8.237 -3.425 1.00 0.00 H new ATOM 0 HD13 LEU A 95 10.715 -9.562 -3.807 1.00 0.00 H new ATOM 0 HD21 LEU A 95 9.047 -9.228 -1.298 1.00 0.00 H new ATOM 0 HD22 LEU A 95 9.578 -10.785 -1.977 1.00 0.00 H new ATOM 0 HD23 LEU A 95 9.933 -10.388 -0.279 1.00 0.00 H new ATOM 1163 N ASN A 96 13.196 -13.429 -0.445 1.00 0.00 N ATOM 1164 CA ASN A 96 14.013 -14.647 -0.555 1.00 0.00 C ATOM 1165 C ASN A 96 13.226 -15.703 -1.345 1.00 0.00 C ATOM 1166 O ASN A 96 12.023 -15.834 -1.122 1.00 0.00 O ATOM 1167 CB ASN A 96 14.320 -15.226 0.851 1.00 0.00 C ATOM 1168 CG ASN A 96 14.524 -14.198 1.950 1.00 0.00 C ATOM 1169 OD1 ASN A 96 15.566 -13.572 2.075 1.00 0.00 O ATOM 1170 ND2 ASN A 96 13.532 -14.009 2.793 1.00 0.00 N ATOM 0 H ASN A 96 12.209 -13.640 -0.299 1.00 0.00 H new ATOM 0 HA ASN A 96 14.948 -14.397 -1.057 1.00 0.00 H new ATOM 0 HB2 ASN A 96 13.501 -15.884 1.141 1.00 0.00 H new ATOM 0 HB3 ASN A 96 15.216 -15.843 0.783 1.00 0.00 H new ATOM 0 HD21 ASN A 96 13.631 -13.338 3.555 1.00 0.00 H new ATOM 0 HD22 ASN A 96 12.664 -14.534 2.685 1.00 0.00 H new ATOM 1176 N ALA A 97 13.866 -16.522 -2.185 1.00 0.00 N ATOM 1177 CA ALA A 97 13.189 -17.579 -2.961 1.00 0.00 C ATOM 1178 C ALA A 97 12.410 -18.614 -2.107 1.00 0.00 C ATOM 1179 O ALA A 97 11.546 -19.323 -2.627 1.00 0.00 O ATOM 1180 CB ALA A 97 14.217 -18.262 -3.871 1.00 0.00 C ATOM 0 H ALA A 97 14.871 -16.475 -2.350 1.00 0.00 H new ATOM 0 HA ALA A 97 12.417 -17.091 -3.556 1.00 0.00 H new ATOM 0 HB1 ALA A 97 13.727 -19.045 -4.449 1.00 0.00 H new ATOM 0 HB2 ALA A 97 14.648 -17.526 -4.549 1.00 0.00 H new ATOM 0 HB3 ALA A 97 15.007 -18.701 -3.262 1.00 0.00 H new ATOM 1186 N VAL A 98 12.668 -18.659 -0.792 1.00 0.00 N ATOM 1187 CA VAL A 98 11.877 -19.368 0.232 1.00 0.00 C ATOM 1188 C VAL A 98 10.375 -19.050 0.125 1.00 0.00 C ATOM 1189 O VAL A 98 9.550 -19.964 0.176 1.00 0.00 O ATOM 1190 CB VAL A 98 12.385 -18.997 1.647 1.00 0.00 C ATOM 1191 CG1 VAL A 98 11.677 -19.784 2.760 1.00 0.00 C ATOM 1192 CG2 VAL A 98 13.894 -19.248 1.813 1.00 0.00 C ATOM 0 H VAL A 98 13.474 -18.179 -0.391 1.00 0.00 H new ATOM 0 HA VAL A 98 12.006 -20.436 0.059 1.00 0.00 H new ATOM 0 HB VAL A 98 12.162 -17.934 1.741 1.00 0.00 H new ATOM 0 HG11 VAL A 98 12.075 -19.482 3.729 1.00 0.00 H new ATOM 0 HG12 VAL A 98 10.607 -19.579 2.727 1.00 0.00 H new ATOM 0 HG13 VAL A 98 11.846 -20.851 2.615 1.00 0.00 H new ATOM 0 HG21 VAL A 98 14.200 -18.972 2.822 1.00 0.00 H new ATOM 0 HG22 VAL A 98 14.108 -20.304 1.645 1.00 0.00 H new ATOM 0 HG23 VAL A 98 14.445 -18.647 1.090 1.00 0.00 H new ATOM 1202 N ASN A 99 10.017 -17.766 -0.031 1.00 0.00 N ATOM 1203 CA ASN A 99 8.626 -17.279 -0.056 1.00 0.00 C ATOM 1204 C ASN A 99 8.452 -15.832 -0.586 1.00 0.00 C ATOM 1205 O ASN A 99 7.497 -15.163 -0.204 1.00 0.00 O ATOM 1206 CB ASN A 99 7.945 -17.509 1.324 1.00 0.00 C ATOM 1207 CG ASN A 99 8.756 -17.185 2.572 1.00 0.00 C ATOM 1208 OD1 ASN A 99 8.723 -17.914 3.553 1.00 0.00 O ATOM 1209 ND2 ASN A 99 9.500 -16.104 2.611 1.00 0.00 N ATOM 0 H ASN A 99 10.702 -17.019 -0.146 1.00 0.00 H new ATOM 0 HA ASN A 99 8.105 -17.881 -0.800 1.00 0.00 H new ATOM 0 HB2 ASN A 99 7.033 -16.913 1.352 1.00 0.00 H new ATOM 0 HB3 ASN A 99 7.645 -18.555 1.380 1.00 0.00 H new ATOM 0 HD21 ASN A 99 10.037 -15.885 3.450 1.00 0.00 H new ATOM 0 HD22 ASN A 99 9.541 -15.483 1.803 1.00 0.00 H new ATOM 1215 N ALA A 100 9.341 -15.309 -1.439 1.00 0.00 N ATOM 1216 CA ALA A 100 9.247 -13.949 -2.003 1.00 0.00 C ATOM 1217 C ALA A 100 7.876 -13.641 -2.628 1.00 0.00 C ATOM 1218 O ALA A 100 7.358 -12.539 -2.453 1.00 0.00 O ATOM 1219 CB ALA A 100 10.359 -13.745 -3.041 1.00 0.00 C ATOM 0 H ALA A 100 10.160 -15.823 -1.764 1.00 0.00 H new ATOM 0 HA ALA A 100 9.369 -13.252 -1.174 1.00 0.00 H new ATOM 0 HB1 ALA A 100 10.289 -12.740 -3.457 1.00 0.00 H new ATOM 0 HB2 ALA A 100 11.330 -13.873 -2.563 1.00 0.00 H new ATOM 0 HB3 ALA A 100 10.249 -14.477 -3.841 1.00 0.00 H new ATOM 1225 N SER A 101 7.263 -14.626 -3.295 1.00 0.00 N ATOM 1226 CA SER A 101 5.866 -14.560 -3.729 1.00 0.00 C ATOM 1227 C SER A 101 4.923 -14.424 -2.530 1.00 0.00 C ATOM 1228 O SER A 101 4.297 -13.386 -2.367 1.00 0.00 O ATOM 1229 CB SER A 101 5.462 -15.749 -4.631 1.00 0.00 C ATOM 1230 OG SER A 101 6.573 -16.535 -5.054 1.00 0.00 O ATOM 0 H SER A 101 7.728 -15.497 -3.550 1.00 0.00 H new ATOM 0 HA SER A 101 5.771 -13.664 -4.342 1.00 0.00 H new ATOM 0 HB2 SER A 101 4.760 -16.384 -4.091 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.938 -15.370 -5.508 1.00 0.00 H new ATOM 0 HG SER A 101 6.257 -17.271 -5.619 1.00 0.00 H new ATOM 1235 N SER A 102 4.856 -15.422 -1.642 1.00 0.00 N ATOM 1236 CA SER A 102 3.906 -15.452 -0.514 1.00 0.00 C ATOM 1237 C SER A 102 4.045 -14.275 0.481 1.00 0.00 C ATOM 1238 O SER A 102 3.044 -13.807 1.027 1.00 0.00 O ATOM 1239 CB SER A 102 4.013 -16.814 0.185 1.00 0.00 C ATOM 1240 OG SER A 102 2.967 -17.006 1.122 1.00 0.00 O ATOM 0 H SER A 102 5.463 -16.241 -1.683 1.00 0.00 H new ATOM 0 HA SER A 102 2.907 -15.319 -0.929 1.00 0.00 H new ATOM 0 HB2 SER A 102 3.984 -17.609 -0.560 1.00 0.00 H new ATOM 0 HB3 SER A 102 4.975 -16.888 0.693 1.00 0.00 H new ATOM 0 HG SER A 102 3.065 -17.884 1.547 1.00 0.00 H new ATOM 1245 N LEU A 103 5.240 -13.695 0.652 1.00 0.00 N ATOM 1246 CA LEU A 103 5.443 -12.441 1.400 1.00 0.00 C ATOM 1247 C LEU A 103 4.720 -11.230 0.775 1.00 0.00 C ATOM 1248 O LEU A 103 4.379 -10.289 1.491 1.00 0.00 O ATOM 1249 CB LEU A 103 6.946 -12.143 1.548 1.00 0.00 C ATOM 1250 CG LEU A 103 7.701 -13.080 2.509 1.00 0.00 C ATOM 1251 CD1 LEU A 103 9.178 -12.682 2.534 1.00 0.00 C ATOM 1252 CD2 LEU A 103 7.171 -13.022 3.944 1.00 0.00 C ATOM 0 H LEU A 103 6.103 -14.084 0.273 1.00 0.00 H new ATOM 0 HA LEU A 103 4.998 -12.595 2.383 1.00 0.00 H new ATOM 0 HB2 LEU A 103 7.412 -12.203 0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.066 -11.117 1.895 1.00 0.00 H new ATOM 0 HG LEU A 103 7.557 -14.095 2.140 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.721 -13.340 3.212 1.00 0.00 H new ATOM 0 HD12 LEU A 103 9.596 -12.770 1.531 1.00 0.00 H new ATOM 0 HD13 LEU A 103 9.271 -11.651 2.877 1.00 0.00 H new ATOM 0 HD21 LEU A 103 7.744 -13.704 4.571 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.270 -12.007 4.328 1.00 0.00 H new ATOM 0 HD23 LEU A 103 6.121 -13.314 3.956 1.00 0.00 H new ATOM 1263 N GLY A 104 4.423 -11.266 -0.526 1.00 0.00 N ATOM 1264 CA GLY A 104 3.540 -10.306 -1.194 1.00 0.00 C ATOM 1265 C GLY A 104 2.125 -10.333 -0.626 1.00 0.00 C ATOM 1266 O GLY A 104 1.554 -9.278 -0.354 1.00 0.00 O ATOM 0 H GLY A 104 4.796 -11.976 -1.156 1.00 0.00 H new ATOM 0 HA2 GLY A 104 3.952 -9.302 -1.090 1.00 0.00 H new ATOM 0 HA3 GLY A 104 3.506 -10.528 -2.261 1.00 0.00 H new ATOM 1270 N SER A 105 1.591 -11.529 -0.358 1.00 0.00 N ATOM 1271 CA SER A 105 0.346 -11.685 0.401 1.00 0.00 C ATOM 1272 C SER A 105 0.483 -11.128 1.822 1.00 0.00 C ATOM 1273 O SER A 105 -0.382 -10.375 2.258 1.00 0.00 O ATOM 1274 CB SER A 105 -0.101 -13.150 0.444 1.00 0.00 C ATOM 1275 OG SER A 105 -1.403 -13.237 1.003 1.00 0.00 O ATOM 0 H SER A 105 2.006 -12.411 -0.659 1.00 0.00 H new ATOM 0 HA SER A 105 -0.420 -11.109 -0.118 1.00 0.00 H new ATOM 0 HB2 SER A 105 -0.098 -13.571 -0.561 1.00 0.00 H new ATOM 0 HB3 SER A 105 0.600 -13.737 1.038 1.00 0.00 H new ATOM 0 HG SER A 105 -2.061 -12.922 0.349 1.00 0.00 H new ATOM 1280 N ALA A 106 1.586 -11.405 2.531 1.00 0.00 N ATOM 1281 CA ALA A 106 1.816 -10.879 3.884 1.00 0.00 C ATOM 1282 C ALA A 106 1.792 -9.335 3.957 1.00 0.00 C ATOM 1283 O ALA A 106 1.108 -8.772 4.817 1.00 0.00 O ATOM 1284 CB ALA A 106 3.122 -11.455 4.449 1.00 0.00 C ATOM 0 H ALA A 106 2.341 -11.997 2.185 1.00 0.00 H new ATOM 0 HA ALA A 106 0.982 -11.206 4.505 1.00 0.00 H new ATOM 0 HB1 ALA A 106 3.289 -11.063 5.452 1.00 0.00 H new ATOM 0 HB2 ALA A 106 3.052 -12.542 4.492 1.00 0.00 H new ATOM 0 HB3 ALA A 106 3.954 -11.170 3.805 1.00 0.00 H new ATOM 1290 N LEU A 107 2.474 -8.638 3.038 1.00 0.00 N ATOM 1291 CA LEU A 107 2.433 -7.170 2.964 1.00 0.00 C ATOM 1292 C LEU A 107 1.053 -6.675 2.488 1.00 0.00 C ATOM 1293 O LEU A 107 0.485 -5.783 3.112 1.00 0.00 O ATOM 1294 CB LEU A 107 3.595 -6.663 2.082 1.00 0.00 C ATOM 1295 CG LEU A 107 4.076 -5.207 2.291 1.00 0.00 C ATOM 1296 CD1 LEU A 107 3.028 -4.146 2.000 1.00 0.00 C ATOM 1297 CD2 LEU A 107 4.616 -4.946 3.695 1.00 0.00 C ATOM 0 H LEU A 107 3.066 -9.071 2.329 1.00 0.00 H new ATOM 0 HA LEU A 107 2.571 -6.751 3.961 1.00 0.00 H new ATOM 0 HB2 LEU A 107 4.448 -7.323 2.239 1.00 0.00 H new ATOM 0 HB3 LEU A 107 3.296 -6.771 1.039 1.00 0.00 H new ATOM 0 HG LEU A 107 4.877 -5.118 1.557 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.453 -3.157 2.173 1.00 0.00 H new ATOM 0 HD12 LEU A 107 2.708 -4.226 0.961 1.00 0.00 H new ATOM 0 HD13 LEU A 107 2.170 -4.292 2.657 1.00 0.00 H new ATOM 0 HD21 LEU A 107 4.936 -3.907 3.774 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.833 -5.142 4.428 1.00 0.00 H new ATOM 0 HD23 LEU A 107 5.465 -5.603 3.886 1.00 0.00 H new ATOM 1308 N ALA A 108 0.447 -7.279 1.459 1.00 0.00 N ATOM 1309 CA ALA A 108 -0.910 -6.922 1.024 1.00 0.00 C ATOM 1310 C ALA A 108 -1.977 -7.121 2.118 1.00 0.00 C ATOM 1311 O ALA A 108 -2.905 -6.320 2.210 1.00 0.00 O ATOM 1312 CB ALA A 108 -1.264 -7.695 -0.251 1.00 0.00 C ATOM 0 H ALA A 108 0.878 -8.022 0.909 1.00 0.00 H new ATOM 0 HA ALA A 108 -0.910 -5.853 0.812 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -2.271 -7.428 -0.571 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -0.554 -7.442 -1.039 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -1.219 -8.766 -0.052 1.00 0.00 H new ATOM 1318 N ASN A 109 -1.834 -8.124 2.990 1.00 0.00 N ATOM 1319 CA ASN A 109 -2.681 -8.304 4.171 1.00 0.00 C ATOM 1320 C ASN A 109 -2.465 -7.176 5.195 1.00 0.00 C ATOM 1321 O ASN A 109 -3.444 -6.669 5.746 1.00 0.00 O ATOM 1322 CB ASN A 109 -2.433 -9.688 4.801 1.00 0.00 C ATOM 1323 CG ASN A 109 -2.889 -10.853 3.930 1.00 0.00 C ATOM 1324 OD1 ASN A 109 -3.764 -10.741 3.082 1.00 0.00 O ATOM 1325 ND2 ASN A 109 -2.325 -12.023 4.132 1.00 0.00 N ATOM 0 H ASN A 109 -1.117 -8.843 2.893 1.00 0.00 H new ATOM 0 HA ASN A 109 -3.723 -8.254 3.854 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -1.368 -9.797 5.008 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -2.951 -9.739 5.759 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -2.617 -12.832 3.583 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -1.595 -12.122 4.838 1.00 0.00 H new ATOM 1331 N ALA A 110 -1.220 -6.723 5.399 1.00 0.00 N ATOM 1332 CA ALA A 110 -0.930 -5.524 6.187 1.00 0.00 C ATOM 1333 C ALA A 110 -1.638 -4.286 5.601 1.00 0.00 C ATOM 1334 O ALA A 110 -2.421 -3.658 6.308 1.00 0.00 O ATOM 1335 CB ALA A 110 0.588 -5.329 6.326 1.00 0.00 C ATOM 0 H ALA A 110 -0.389 -7.179 5.022 1.00 0.00 H new ATOM 0 HA ALA A 110 -1.331 -5.658 7.192 1.00 0.00 H new ATOM 0 HB1 ALA A 110 0.787 -4.433 6.914 1.00 0.00 H new ATOM 0 HB2 ALA A 110 1.022 -6.195 6.825 1.00 0.00 H new ATOM 0 HB3 ALA A 110 1.033 -5.220 5.337 1.00 0.00 H new ATOM 1341 N LEU A 111 -1.461 -3.988 4.302 1.00 0.00 N ATOM 1342 CA LEU A 111 -2.139 -2.875 3.611 1.00 0.00 C ATOM 1343 C LEU A 111 -3.674 -3.006 3.613 1.00 0.00 C ATOM 1344 O LEU A 111 -4.372 -1.996 3.639 1.00 0.00 O ATOM 1345 CB LEU A 111 -1.647 -2.737 2.154 1.00 0.00 C ATOM 1346 CG LEU A 111 -0.132 -2.586 1.948 1.00 0.00 C ATOM 1347 CD1 LEU A 111 0.169 -2.636 0.449 1.00 0.00 C ATOM 1348 CD2 LEU A 111 0.503 -1.315 2.522 1.00 0.00 C ATOM 0 H LEU A 111 -0.836 -4.519 3.695 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.879 -1.980 4.176 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -1.980 -3.613 1.598 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -2.139 -1.872 1.709 1.00 0.00 H new ATOM 0 HG LEU A 111 0.311 -3.412 2.505 1.00 0.00 H new ATOM 0 HD11 LEU A 111 1.242 -2.530 0.290 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.166 -3.590 0.042 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -0.355 -1.823 -0.055 1.00 0.00 H new ATOM 0 HD21 LEU A 111 1.573 -1.318 2.316 1.00 0.00 H new ATOM 0 HD22 LEU A 111 0.047 -0.440 2.059 1.00 0.00 H new ATOM 0 HD23 LEU A 111 0.341 -1.282 3.599 1.00 0.00 H new ATOM 1359 N SER A 112 -4.211 -4.230 3.601 1.00 0.00 N ATOM 1360 CA SER A 112 -5.652 -4.503 3.696 1.00 0.00 C ATOM 1361 C SER A 112 -6.207 -4.162 5.080 1.00 0.00 C ATOM 1362 O SER A 112 -7.209 -3.448 5.175 1.00 0.00 O ATOM 1363 CB SER A 112 -5.932 -5.968 3.345 1.00 0.00 C ATOM 1364 OG SER A 112 -7.326 -6.218 3.343 1.00 0.00 O ATOM 0 H SER A 112 -3.647 -5.076 3.524 1.00 0.00 H new ATOM 0 HA SER A 112 -6.163 -3.860 2.979 1.00 0.00 H new ATOM 0 HB2 SER A 112 -5.513 -6.200 2.366 1.00 0.00 H new ATOM 0 HB3 SER A 112 -5.440 -6.622 4.065 1.00 0.00 H new ATOM 0 HG SER A 112 -7.603 -6.519 2.453 1.00 0.00 H new ATOM 1369 N ASP A 113 -5.520 -4.564 6.157 1.00 0.00 N ATOM 1370 CA ASP A 113 -5.811 -4.067 7.508 1.00 0.00 C ATOM 1371 C ASP A 113 -5.699 -2.535 7.576 1.00 0.00 C ATOM 1372 O ASP A 113 -6.578 -1.882 8.143 1.00 0.00 O ATOM 1373 CB ASP A 113 -4.891 -4.725 8.554 1.00 0.00 C ATOM 1374 CG ASP A 113 -5.395 -6.101 9.024 1.00 0.00 C ATOM 1375 OD1 ASP A 113 -6.576 -6.209 9.437 1.00 0.00 O ATOM 1376 OD2 ASP A 113 -4.602 -7.073 9.044 1.00 0.00 O ATOM 0 H ASP A 113 -4.754 -5.236 6.118 1.00 0.00 H new ATOM 0 HA ASP A 113 -6.840 -4.341 7.741 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -3.892 -4.836 8.132 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -4.801 -4.064 9.416 1.00 0.00 H new ATOM 1380 N SER A 114 -4.681 -1.939 6.943 1.00 0.00 N ATOM 1381 CA SER A 114 -4.528 -0.484 6.867 1.00 0.00 C ATOM 1382 C SER A 114 -5.685 0.214 6.143 1.00 0.00 C ATOM 1383 O SER A 114 -6.146 1.255 6.603 1.00 0.00 O ATOM 1384 CB SER A 114 -3.237 -0.074 6.161 1.00 0.00 C ATOM 1385 OG SER A 114 -2.099 -0.815 6.546 1.00 0.00 O ATOM 0 H SER A 114 -3.940 -2.455 6.469 1.00 0.00 H new ATOM 0 HA SER A 114 -4.511 -0.166 7.909 1.00 0.00 H new ATOM 0 HB2 SER A 114 -3.377 -0.179 5.085 1.00 0.00 H new ATOM 0 HB3 SER A 114 -3.051 0.982 6.356 1.00 0.00 H new ATOM 0 HG SER A 114 -2.219 -1.754 6.293 1.00 0.00 H new ATOM 1390 N ALA A 115 -6.173 -0.332 5.025 1.00 0.00 N ATOM 1391 CA ALA A 115 -7.271 0.236 4.240 1.00 0.00 C ATOM 1392 C ALA A 115 -8.629 0.097 4.949 1.00 0.00 C ATOM 1393 O ALA A 115 -9.406 1.051 5.003 1.00 0.00 O ATOM 1394 CB ALA A 115 -7.293 -0.454 2.875 1.00 0.00 C ATOM 0 H ALA A 115 -5.807 -1.200 4.633 1.00 0.00 H new ATOM 0 HA ALA A 115 -7.101 1.306 4.120 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -8.105 -0.045 2.274 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -6.344 -0.285 2.366 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -7.446 -1.525 3.011 1.00 0.00 H new ATOM 1400 N ALA A 116 -8.890 -1.065 5.556 1.00 0.00 N ATOM 1401 CA ALA A 116 -10.056 -1.287 6.410 1.00 0.00 C ATOM 1402 C ALA A 116 -10.064 -0.335 7.626 1.00 0.00 C ATOM 1403 O ALA A 116 -11.106 0.223 7.974 1.00 0.00 O ATOM 1404 CB ALA A 116 -10.061 -2.763 6.829 1.00 0.00 C ATOM 0 H ALA A 116 -8.290 -1.885 5.466 1.00 0.00 H new ATOM 0 HA ALA A 116 -10.969 -1.063 5.859 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -10.922 -2.957 7.468 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -10.119 -3.393 5.941 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -9.145 -2.989 7.375 1.00 0.00 H new ATOM 1410 N ASN A 117 -8.895 -0.085 8.231 1.00 0.00 N ATOM 1411 CA ASN A 117 -8.718 0.925 9.279 1.00 0.00 C ATOM 1412 C ASN A 117 -8.841 2.370 8.754 1.00 0.00 C ATOM 1413 O ASN A 117 -9.411 3.218 9.437 1.00 0.00 O ATOM 1414 CB ASN A 117 -7.368 0.688 9.973 1.00 0.00 C ATOM 1415 CG ASN A 117 -7.122 1.705 11.074 1.00 0.00 C ATOM 1416 OD1 ASN A 117 -7.655 1.609 12.170 1.00 0.00 O ATOM 1417 ND2 ASN A 117 -6.321 2.715 10.815 1.00 0.00 N ATOM 0 H ASN A 117 -8.036 -0.586 8.002 1.00 0.00 H new ATOM 0 HA ASN A 117 -9.528 0.813 10.000 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -7.345 -0.317 10.393 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -6.565 0.744 9.238 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -6.143 3.421 11.529 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -5.878 2.793 9.900 1.00 0.00 H new ATOM 1423 N SER A 118 -8.372 2.666 7.538 1.00 0.00 N ATOM 1424 CA SER A 118 -8.560 3.973 6.887 1.00 0.00 C ATOM 1425 C SER A 118 -10.051 4.317 6.780 1.00 0.00 C ATOM 1426 O SER A 118 -10.479 5.384 7.224 1.00 0.00 O ATOM 1427 CB SER A 118 -7.875 3.990 5.514 1.00 0.00 C ATOM 1428 OG SER A 118 -7.846 5.307 4.993 1.00 0.00 O ATOM 0 H SER A 118 -7.846 2.002 6.970 1.00 0.00 H new ATOM 0 HA SER A 118 -8.091 4.741 7.502 1.00 0.00 H new ATOM 0 HB2 SER A 118 -6.859 3.605 5.602 1.00 0.00 H new ATOM 0 HB3 SER A 118 -8.407 3.332 4.827 1.00 0.00 H new ATOM 0 HG SER A 118 -7.405 5.303 4.118 1.00 0.00 H new