USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 549 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 65 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 66 ASN : amide:sc= 0.159 K(o=0.16,f=-2.7!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -57:sc= 0.632 USER MOD Single : A 8 GLN : amide:sc= -0.171 K(o=-0.17,f=-1.4!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot -114:sc= 0.407 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.0169 USER MOD Single : A 25 SER OG : rot 21:sc= 0.257 USER MOD Single : A 31 LYS NZ :NH3+ -164:sc= -0.0173 (180deg=-0.206) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.589 X(o=-0.59,f=-0.5) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 50 LYS NZ :NH3+ -159:sc= -0.0317 (180deg=-0.297) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc=-0.00518 X(o=-0.0052,f=-0.021) USER MOD Single : A 58 GLN : amide:sc= -0.0731 X(o=-0.073,f=-0.01) USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 32:sc= 0.351 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.211 -16.244 -11.583 1.00 0.00 N ATOM 2 CA GLY A 1 5.329 -16.816 -10.857 1.00 0.00 C ATOM 3 C GLY A 1 5.878 -15.875 -9.803 1.00 0.00 C ATOM 4 O GLY A 1 7.086 -15.645 -9.735 1.00 0.00 O ATOM 0 H1 GLY A 1 3.872 -16.926 -12.291 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.442 -16.024 -10.919 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.517 -15.372 -12.060 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.013 -17.744 -10.382 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.122 -17.072 -11.560 1.00 0.00 H new ATOM 8 N SER A 2 4.990 -15.327 -8.980 1.00 0.00 N ATOM 9 CA SER A 2 5.392 -14.401 -7.928 1.00 0.00 C ATOM 10 C SER A 2 6.494 -13.467 -8.419 1.00 0.00 C ATOM 11 O SER A 2 7.456 -13.192 -7.701 1.00 0.00 O ATOM 12 CB SER A 2 5.873 -15.172 -6.697 1.00 0.00 C ATOM 13 OG SER A 2 4.778 -15.676 -5.952 1.00 0.00 O ATOM 0 H SER A 2 3.987 -15.508 -9.021 1.00 0.00 H new ATOM 0 HA SER A 2 4.524 -13.800 -7.656 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.516 -15.996 -7.008 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.476 -14.518 -6.067 1.00 0.00 H new ATOM 0 HG SER A 2 5.111 -16.166 -5.172 1.00 0.00 H new ATOM 19 N SER A 3 6.346 -12.981 -9.647 1.00 0.00 N ATOM 20 CA SER A 3 7.329 -12.081 -10.237 1.00 0.00 C ATOM 21 C SER A 3 6.901 -10.626 -10.072 1.00 0.00 C ATOM 22 O SER A 3 5.712 -10.312 -10.076 1.00 0.00 O ATOM 23 CB SER A 3 7.521 -12.402 -11.720 1.00 0.00 C ATOM 24 OG SER A 3 8.417 -11.488 -12.328 1.00 0.00 O ATOM 0 H SER A 3 5.554 -13.196 -10.253 1.00 0.00 H new ATOM 0 HA SER A 3 8.275 -12.225 -9.716 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.903 -13.417 -11.829 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.559 -12.367 -12.230 1.00 0.00 H new ATOM 0 HG SER A 3 8.524 -11.716 -13.275 1.00 0.00 H new ATOM 30 N GLY A 4 7.882 -9.740 -9.925 1.00 0.00 N ATOM 31 CA GLY A 4 7.588 -8.328 -9.760 1.00 0.00 C ATOM 32 C GLY A 4 8.832 -7.504 -9.491 1.00 0.00 C ATOM 33 O GLY A 4 9.025 -7.004 -8.383 1.00 0.00 O ATOM 0 H GLY A 4 8.875 -9.975 -9.917 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.096 -7.955 -10.658 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.886 -8.200 -8.936 1.00 0.00 H new ATOM 37 N SER A 5 9.678 -7.364 -10.506 1.00 0.00 N ATOM 38 CA SER A 5 10.913 -6.600 -10.372 1.00 0.00 C ATOM 39 C SER A 5 10.623 -5.103 -10.324 1.00 0.00 C ATOM 40 O SER A 5 9.537 -4.658 -10.694 1.00 0.00 O ATOM 41 CB SER A 5 11.858 -6.911 -11.534 1.00 0.00 C ATOM 42 OG SER A 5 12.686 -8.022 -11.236 1.00 0.00 O ATOM 0 H SER A 5 9.531 -7.770 -11.430 1.00 0.00 H new ATOM 0 HA SER A 5 11.391 -6.890 -9.436 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.278 -7.117 -12.433 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.477 -6.039 -11.747 1.00 0.00 H new ATOM 0 HG SER A 5 13.279 -8.201 -11.995 1.00 0.00 H new ATOM 48 N SER A 6 11.602 -4.332 -9.863 1.00 0.00 N ATOM 49 CA SER A 6 11.452 -2.885 -9.762 1.00 0.00 C ATOM 50 C SER A 6 10.270 -2.523 -8.869 1.00 0.00 C ATOM 51 O SER A 6 9.573 -1.538 -9.111 1.00 0.00 O ATOM 52 CB SER A 6 11.264 -2.272 -11.151 1.00 0.00 C ATOM 53 OG SER A 6 11.264 -0.856 -11.088 1.00 0.00 O ATOM 0 H SER A 6 12.508 -4.685 -9.553 1.00 0.00 H new ATOM 0 HA SER A 6 12.360 -2.480 -9.315 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.062 -2.610 -11.812 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.325 -2.620 -11.581 1.00 0.00 H new ATOM 0 HG SER A 6 10.565 -0.556 -10.471 1.00 0.00 H new ATOM 59 N GLY A 7 10.049 -3.328 -7.834 1.00 0.00 N ATOM 60 CA GLY A 7 8.950 -3.077 -6.920 1.00 0.00 C ATOM 61 C GLY A 7 9.423 -2.807 -5.505 1.00 0.00 C ATOM 62 O GLY A 7 10.090 -3.644 -4.898 1.00 0.00 O ATOM 0 H GLY A 7 10.612 -4.149 -7.612 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.373 -2.224 -7.276 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.280 -3.936 -6.918 1.00 0.00 H new ATOM 66 N GLN A 8 9.078 -1.636 -4.981 1.00 0.00 N ATOM 67 CA GLN A 8 9.475 -1.258 -3.629 1.00 0.00 C ATOM 68 C GLN A 8 8.376 -1.593 -2.626 1.00 0.00 C ATOM 69 O GLN A 8 7.225 -1.189 -2.793 1.00 0.00 O ATOM 70 CB GLN A 8 9.799 0.235 -3.568 1.00 0.00 C ATOM 71 CG GLN A 8 10.881 0.663 -4.547 1.00 0.00 C ATOM 72 CD GLN A 8 10.736 2.108 -4.982 1.00 0.00 C ATOM 73 OE1 GLN A 8 9.623 2.620 -5.114 1.00 0.00 O ATOM 74 NE2 GLN A 8 11.862 2.775 -5.208 1.00 0.00 N ATOM 0 H GLN A 8 8.525 -0.933 -5.471 1.00 0.00 H new ATOM 0 HA GLN A 8 10.367 -1.827 -3.367 1.00 0.00 H new ATOM 0 HB2 GLN A 8 8.892 0.804 -3.771 1.00 0.00 H new ATOM 0 HB3 GLN A 8 10.115 0.489 -2.556 1.00 0.00 H new ATOM 0 HG2 GLN A 8 11.859 0.523 -4.086 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.847 0.018 -5.425 1.00 0.00 H new ATOM 0 HE21 GLN A 8 12.762 2.312 -5.086 1.00 0.00 H new ATOM 0 HE22 GLN A 8 11.826 3.751 -5.503 1.00 0.00 H new ATOM 83 N TYR A 9 8.738 -2.334 -1.585 1.00 0.00 N ATOM 84 CA TYR A 9 7.783 -2.726 -0.556 1.00 0.00 C ATOM 85 C TYR A 9 7.783 -1.727 0.597 1.00 0.00 C ATOM 86 O TYR A 9 8.814 -1.140 0.925 1.00 0.00 O ATOM 87 CB TYR A 9 8.110 -4.125 -0.033 1.00 0.00 C ATOM 88 CG TYR A 9 8.570 -5.082 -1.109 1.00 0.00 C ATOM 89 CD1 TYR A 9 7.686 -5.555 -2.071 1.00 0.00 C ATOM 90 CD2 TYR A 9 9.890 -5.512 -1.165 1.00 0.00 C ATOM 91 CE1 TYR A 9 8.102 -6.429 -3.056 1.00 0.00 C ATOM 92 CE2 TYR A 9 10.316 -6.386 -2.147 1.00 0.00 C ATOM 93 CZ TYR A 9 9.418 -6.842 -3.090 1.00 0.00 C ATOM 94 OH TYR A 9 9.837 -7.712 -4.070 1.00 0.00 O ATOM 0 H TYR A 9 9.687 -2.675 -1.431 1.00 0.00 H new ATOM 0 HA TYR A 9 6.789 -2.736 -1.004 1.00 0.00 H new ATOM 0 HB2 TYR A 9 8.887 -4.047 0.728 1.00 0.00 H new ATOM 0 HB3 TYR A 9 7.226 -4.537 0.454 1.00 0.00 H new ATOM 0 HD1 TYR A 9 6.655 -5.233 -2.048 1.00 0.00 H new ATOM 0 HD2 TYR A 9 10.595 -5.157 -0.428 1.00 0.00 H new ATOM 0 HE1 TYR A 9 7.401 -6.787 -3.796 1.00 0.00 H new ATOM 0 HE2 TYR A 9 11.346 -6.710 -2.176 1.00 0.00 H new ATOM 0 HH TYR A 9 10.791 -7.902 -3.953 1.00 0.00 H new ATOM 104 N PHE A 10 6.619 -1.539 1.209 1.00 0.00 N ATOM 105 CA PHE A 10 6.483 -0.611 2.326 1.00 0.00 C ATOM 106 C PHE A 10 5.667 -1.235 3.455 1.00 0.00 C ATOM 107 O PHE A 10 4.792 -2.068 3.217 1.00 0.00 O ATOM 108 CB PHE A 10 5.820 0.687 1.860 1.00 0.00 C ATOM 109 CG PHE A 10 6.731 1.569 1.054 1.00 0.00 C ATOM 110 CD1 PHE A 10 7.156 1.181 -0.206 1.00 0.00 C ATOM 111 CD2 PHE A 10 7.163 2.785 1.558 1.00 0.00 C ATOM 112 CE1 PHE A 10 7.993 1.990 -0.951 1.00 0.00 C ATOM 113 CE2 PHE A 10 8.000 3.598 0.818 1.00 0.00 C ATOM 114 CZ PHE A 10 8.417 3.200 -0.437 1.00 0.00 C ATOM 0 H PHE A 10 5.756 -2.017 0.950 1.00 0.00 H new ATOM 0 HA PHE A 10 7.481 -0.387 2.703 1.00 0.00 H new ATOM 0 HB2 PHE A 10 4.942 0.443 1.263 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.469 1.240 2.731 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.829 0.235 -0.611 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.842 3.101 2.540 1.00 0.00 H new ATOM 0 HE1 PHE A 10 8.315 1.677 -1.933 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.328 4.545 1.221 1.00 0.00 H new ATOM 0 HZ PHE A 10 9.073 3.833 -1.015 1.00 0.00 H new ATOM 124 N VAL A 11 5.961 -0.826 4.685 1.00 0.00 N ATOM 125 CA VAL A 11 5.255 -1.343 5.852 1.00 0.00 C ATOM 126 C VAL A 11 4.390 -0.264 6.494 1.00 0.00 C ATOM 127 O VAL A 11 4.811 0.885 6.629 1.00 0.00 O ATOM 128 CB VAL A 11 6.237 -1.891 6.904 1.00 0.00 C ATOM 129 CG1 VAL A 11 7.205 -0.805 7.348 1.00 0.00 C ATOM 130 CG2 VAL A 11 5.479 -2.461 8.094 1.00 0.00 C ATOM 0 H VAL A 11 6.683 -0.138 4.899 1.00 0.00 H new ATOM 0 HA VAL A 11 4.618 -2.155 5.502 1.00 0.00 H new ATOM 0 HB VAL A 11 6.815 -2.696 6.451 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.891 -1.211 8.091 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.772 -0.449 6.488 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.647 0.024 7.784 1.00 0.00 H new ATOM 0 HG21 VAL A 11 6.188 -2.844 8.828 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.874 -1.677 8.549 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.831 -3.271 7.759 1.00 0.00 H new ATOM 140 N ALA A 12 3.179 -0.641 6.888 1.00 0.00 N ATOM 141 CA ALA A 12 2.255 0.293 7.518 1.00 0.00 C ATOM 142 C ALA A 12 2.596 0.494 8.991 1.00 0.00 C ATOM 143 O ALA A 12 2.580 -0.455 9.777 1.00 0.00 O ATOM 144 CB ALA A 12 0.823 -0.198 7.368 1.00 0.00 C ATOM 0 H ALA A 12 2.814 -1.588 6.782 1.00 0.00 H new ATOM 0 HA ALA A 12 2.352 1.255 7.015 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.144 0.510 7.843 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.576 -0.283 6.310 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.721 -1.174 7.843 1.00 0.00 H new ATOM 150 N LEU A 13 2.905 1.732 9.359 1.00 0.00 N ATOM 151 CA LEU A 13 3.251 2.057 10.738 1.00 0.00 C ATOM 152 C LEU A 13 1.997 2.189 11.597 1.00 0.00 C ATOM 153 O LEU A 13 2.020 1.902 12.794 1.00 0.00 O ATOM 154 CB LEU A 13 4.057 3.356 10.790 1.00 0.00 C ATOM 155 CG LEU A 13 5.378 3.357 10.020 1.00 0.00 C ATOM 156 CD1 LEU A 13 5.752 4.770 9.602 1.00 0.00 C ATOM 157 CD2 LEU A 13 6.486 2.736 10.860 1.00 0.00 C ATOM 0 H LEU A 13 2.923 2.528 8.721 1.00 0.00 H new ATOM 0 HA LEU A 13 3.858 1.244 11.136 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.434 4.163 10.404 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.268 3.588 11.834 1.00 0.00 H new ATOM 0 HG LEU A 13 5.251 2.756 9.120 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.695 4.750 9.055 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.970 5.179 8.962 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.860 5.395 10.488 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.419 2.745 10.296 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.611 3.310 11.778 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.222 1.708 11.108 1.00 0.00 H new ATOM 169 N PHE A 14 0.905 2.623 10.978 1.00 0.00 N ATOM 170 CA PHE A 14 -0.359 2.792 11.686 1.00 0.00 C ATOM 171 C PHE A 14 -1.531 2.333 10.823 1.00 0.00 C ATOM 172 O PHE A 14 -1.485 2.421 9.596 1.00 0.00 O ATOM 173 CB PHE A 14 -0.551 4.255 12.089 1.00 0.00 C ATOM 174 CG PHE A 14 0.708 4.913 12.577 1.00 0.00 C ATOM 175 CD1 PHE A 14 1.586 5.507 11.685 1.00 0.00 C ATOM 176 CD2 PHE A 14 1.014 4.936 13.929 1.00 0.00 C ATOM 177 CE1 PHE A 14 2.746 6.112 12.132 1.00 0.00 C ATOM 178 CE2 PHE A 14 2.172 5.540 14.381 1.00 0.00 C ATOM 179 CZ PHE A 14 3.038 6.129 13.482 1.00 0.00 C ATOM 0 H PHE A 14 0.869 2.864 9.988 1.00 0.00 H new ATOM 0 HA PHE A 14 -0.328 2.176 12.585 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.934 4.812 11.234 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -1.308 4.312 12.871 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.362 5.497 10.629 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.340 4.477 14.637 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.423 6.571 11.427 1.00 0.00 H new ATOM 0 HE2 PHE A 14 2.399 5.551 15.437 1.00 0.00 H new ATOM 0 HZ PHE A 14 3.943 6.603 13.834 1.00 0.00 H new ATOM 189 N ASP A 15 -2.580 1.841 11.474 1.00 0.00 N ATOM 190 CA ASP A 15 -3.764 1.368 10.768 1.00 0.00 C ATOM 191 C ASP A 15 -4.430 2.505 10.000 1.00 0.00 C ATOM 192 O ASP A 15 -4.305 3.673 10.369 1.00 0.00 O ATOM 193 CB ASP A 15 -4.759 0.751 11.753 1.00 0.00 C ATOM 194 CG ASP A 15 -4.813 1.503 13.068 1.00 0.00 C ATOM 195 OD1 ASP A 15 -4.705 2.746 13.045 1.00 0.00 O ATOM 196 OD2 ASP A 15 -4.964 0.848 14.121 1.00 0.00 O ATOM 0 H ASP A 15 -2.634 1.760 12.489 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.450 0.606 10.054 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.752 0.740 11.303 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.483 -0.286 11.942 1.00 0.00 H new ATOM 201 N TYR A 16 -5.136 2.156 8.930 1.00 0.00 N ATOM 202 CA TYR A 16 -5.818 3.148 8.107 1.00 0.00 C ATOM 203 C TYR A 16 -7.086 2.565 7.491 1.00 0.00 C ATOM 204 O TYR A 16 -7.179 1.361 7.259 1.00 0.00 O ATOM 205 CB TYR A 16 -4.887 3.653 7.004 1.00 0.00 C ATOM 206 CG TYR A 16 -5.587 4.491 5.958 1.00 0.00 C ATOM 207 CD1 TYR A 16 -6.254 3.895 4.894 1.00 0.00 C ATOM 208 CD2 TYR A 16 -5.582 5.878 6.032 1.00 0.00 C ATOM 209 CE1 TYR A 16 -6.894 4.656 3.935 1.00 0.00 C ATOM 210 CE2 TYR A 16 -6.221 6.647 5.079 1.00 0.00 C ATOM 211 CZ TYR A 16 -6.876 6.031 4.032 1.00 0.00 C ATOM 212 OH TYR A 16 -7.512 6.794 3.080 1.00 0.00 O ATOM 0 H TYR A 16 -5.251 1.194 8.612 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.098 3.984 8.747 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -4.089 4.242 7.455 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -4.416 2.799 6.518 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -6.272 2.818 4.816 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.069 6.364 6.849 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -7.406 4.176 3.114 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.208 7.724 5.153 1.00 0.00 H new ATOM 0 HH TYR A 16 -6.848 7.308 2.575 1.00 0.00 H new ATOM 222 N GLN A 17 -8.061 3.431 7.230 1.00 0.00 N ATOM 223 CA GLN A 17 -9.324 3.003 6.641 1.00 0.00 C ATOM 224 C GLN A 17 -9.692 3.879 5.448 1.00 0.00 C ATOM 225 O GLN A 17 -9.811 5.097 5.573 1.00 0.00 O ATOM 226 CB GLN A 17 -10.440 3.049 7.686 1.00 0.00 C ATOM 227 CG GLN A 17 -10.726 4.447 8.209 1.00 0.00 C ATOM 228 CD GLN A 17 -11.255 4.442 9.630 1.00 0.00 C ATOM 229 OE1 GLN A 17 -12.364 3.975 9.890 1.00 0.00 O ATOM 230 NE2 GLN A 17 -10.461 4.962 10.559 1.00 0.00 N ATOM 0 H GLN A 17 -8.000 4.432 7.417 1.00 0.00 H new ATOM 0 HA GLN A 17 -9.205 1.977 6.293 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -11.351 2.640 7.250 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -10.170 2.405 8.523 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.812 5.040 8.168 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -11.452 4.933 7.557 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.549 5.338 10.298 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.763 4.985 11.533 1.00 0.00 H new ATOM 239 N ALA A 18 -9.872 3.249 4.291 1.00 0.00 N ATOM 240 CA ALA A 18 -10.229 3.971 3.076 1.00 0.00 C ATOM 241 C ALA A 18 -11.335 4.986 3.345 1.00 0.00 C ATOM 242 O ALA A 18 -12.513 4.633 3.402 1.00 0.00 O ATOM 243 CB ALA A 18 -10.658 2.995 1.989 1.00 0.00 C ATOM 0 H ALA A 18 -9.776 2.241 4.170 1.00 0.00 H new ATOM 0 HA ALA A 18 -9.348 4.515 2.734 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -10.922 3.548 1.087 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -9.838 2.312 1.769 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -11.522 2.426 2.332 1.00 0.00 H new ATOM 249 N ARG A 19 -10.947 6.246 3.509 1.00 0.00 N ATOM 250 CA ARG A 19 -11.906 7.312 3.774 1.00 0.00 C ATOM 251 C ARG A 19 -12.687 7.666 2.511 1.00 0.00 C ATOM 252 O ARG A 19 -13.785 8.220 2.582 1.00 0.00 O ATOM 253 CB ARG A 19 -11.188 8.553 4.307 1.00 0.00 C ATOM 254 CG ARG A 19 -10.498 8.330 5.643 1.00 0.00 C ATOM 255 CD ARG A 19 -10.345 9.631 6.415 1.00 0.00 C ATOM 256 NE ARG A 19 -9.422 10.552 5.759 1.00 0.00 N ATOM 257 CZ ARG A 19 -8.100 10.471 5.868 1.00 0.00 C ATOM 258 NH1 ARG A 19 -7.550 9.515 6.604 1.00 0.00 N ATOM 259 NH2 ARG A 19 -7.326 11.347 5.240 1.00 0.00 N ATOM 0 H ARG A 19 -9.976 6.554 3.463 1.00 0.00 H new ATOM 0 HA ARG A 19 -12.608 6.956 4.528 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -10.448 8.877 3.575 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -11.910 9.363 4.411 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -11.073 7.619 6.236 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.516 7.886 5.477 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.320 10.108 6.519 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.987 9.415 7.422 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.813 11.299 5.185 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -8.142 8.840 7.088 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.535 9.455 6.686 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -7.746 12.084 4.673 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.311 11.284 5.325 1.00 0.00 H new ATOM 273 N THR A 20 -12.114 7.344 1.356 1.00 0.00 N ATOM 274 CA THR A 20 -12.754 7.629 0.079 1.00 0.00 C ATOM 275 C THR A 20 -12.933 6.358 -0.743 1.00 0.00 C ATOM 276 O THR A 20 -12.001 5.568 -0.892 1.00 0.00 O ATOM 277 CB THR A 20 -11.941 8.648 -0.742 1.00 0.00 C ATOM 278 OG1 THR A 20 -10.608 8.163 -0.943 1.00 0.00 O ATOM 279 CG2 THR A 20 -11.895 9.996 -0.039 1.00 0.00 C ATOM 0 H THR A 20 -11.206 6.885 1.279 1.00 0.00 H new ATOM 0 HA THR A 20 -13.733 8.053 0.304 1.00 0.00 H new ATOM 0 HB THR A 20 -12.430 8.776 -1.708 1.00 0.00 H new ATOM 0 HG1 THR A 20 -10.098 8.815 -1.467 1.00 0.00 H new ATOM 0 HG21 THR A 20 -11.316 10.699 -0.638 1.00 0.00 H new ATOM 0 HG22 THR A 20 -12.909 10.376 0.086 1.00 0.00 H new ATOM 0 HG23 THR A 20 -11.427 9.881 0.939 1.00 0.00 H new ATOM 287 N ALA A 21 -14.136 6.167 -1.275 1.00 0.00 N ATOM 288 CA ALA A 21 -14.435 4.992 -2.084 1.00 0.00 C ATOM 289 C ALA A 21 -13.246 4.610 -2.959 1.00 0.00 C ATOM 290 O ALA A 21 -13.066 3.442 -3.301 1.00 0.00 O ATOM 291 CB ALA A 21 -15.666 5.243 -2.943 1.00 0.00 C ATOM 0 H ALA A 21 -14.919 6.811 -1.160 1.00 0.00 H new ATOM 0 HA ALA A 21 -14.638 4.160 -1.410 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -15.878 4.358 -3.542 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -16.520 5.460 -2.301 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -15.483 6.092 -3.602 1.00 0.00 H new ATOM 297 N GLU A 22 -12.438 5.603 -3.317 1.00 0.00 N ATOM 298 CA GLU A 22 -11.266 5.370 -4.153 1.00 0.00 C ATOM 299 C GLU A 22 -9.991 5.363 -3.315 1.00 0.00 C ATOM 300 O GLU A 22 -9.207 6.311 -3.351 1.00 0.00 O ATOM 301 CB GLU A 22 -11.168 6.440 -5.242 1.00 0.00 C ATOM 302 CG GLU A 22 -12.001 6.133 -6.475 1.00 0.00 C ATOM 303 CD GLU A 22 -13.476 5.975 -6.159 1.00 0.00 C ATOM 304 OE1 GLU A 22 -14.073 6.935 -5.628 1.00 0.00 O ATOM 305 OE2 GLU A 22 -14.032 4.894 -6.441 1.00 0.00 O ATOM 0 H GLU A 22 -12.573 6.576 -3.041 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.376 4.393 -4.623 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.486 7.397 -4.828 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.125 6.551 -5.537 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.873 6.934 -7.204 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.633 5.218 -6.939 1.00 0.00 H new ATOM 312 N ASP A 23 -9.792 4.288 -2.561 1.00 0.00 N ATOM 313 CA ASP A 23 -8.613 4.156 -1.713 1.00 0.00 C ATOM 314 C ASP A 23 -8.498 2.740 -1.158 1.00 0.00 C ATOM 315 O ASP A 23 -9.446 1.957 -1.223 1.00 0.00 O ATOM 316 CB ASP A 23 -8.670 5.164 -0.564 1.00 0.00 C ATOM 317 CG ASP A 23 -7.291 5.601 -0.109 1.00 0.00 C ATOM 318 OD1 ASP A 23 -6.718 6.512 -0.743 1.00 0.00 O ATOM 319 OD2 ASP A 23 -6.786 5.033 0.882 1.00 0.00 O ATOM 0 H ASP A 23 -10.432 3.495 -2.520 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.733 4.360 -2.323 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.240 6.038 -0.879 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.204 4.722 0.277 1.00 0.00 H new ATOM 324 N LEU A 24 -7.329 2.416 -0.615 1.00 0.00 N ATOM 325 CA LEU A 24 -7.089 1.093 -0.050 1.00 0.00 C ATOM 326 C LEU A 24 -6.880 1.175 1.459 1.00 0.00 C ATOM 327 O LEU A 24 -6.268 2.118 1.961 1.00 0.00 O ATOM 328 CB LEU A 24 -5.869 0.449 -0.710 1.00 0.00 C ATOM 329 CG LEU A 24 -5.556 -0.987 -0.287 1.00 0.00 C ATOM 330 CD1 LEU A 24 -6.300 -1.978 -1.169 1.00 0.00 C ATOM 331 CD2 LEU A 24 -4.058 -1.244 -0.339 1.00 0.00 C ATOM 0 H LEU A 24 -6.533 3.051 -0.554 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.967 0.477 -0.244 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.015 0.465 -1.790 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.997 1.067 -0.497 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.892 -1.124 0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.065 -2.994 -0.853 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.373 -1.810 -1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.996 -1.841 -2.207 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.854 -2.271 -0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.697 -1.088 -1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.547 -0.557 0.336 1.00 0.00 H new ATOM 343 N SER A 25 -7.391 0.180 2.177 1.00 0.00 N ATOM 344 CA SER A 25 -7.262 0.140 3.629 1.00 0.00 C ATOM 345 C SER A 25 -6.199 -0.869 4.053 1.00 0.00 C ATOM 346 O SER A 25 -5.906 -1.820 3.328 1.00 0.00 O ATOM 347 CB SER A 25 -8.604 -0.215 4.272 1.00 0.00 C ATOM 348 OG SER A 25 -8.547 -0.076 5.681 1.00 0.00 O ATOM 0 H SER A 25 -7.898 -0.609 1.777 1.00 0.00 H new ATOM 0 HA SER A 25 -6.955 1.129 3.969 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.385 0.431 3.871 1.00 0.00 H new ATOM 0 HB3 SER A 25 -8.874 -1.239 4.015 1.00 0.00 H new ATOM 0 HG SER A 25 -7.800 0.511 5.922 1.00 0.00 H new ATOM 354 N PHE A 26 -5.626 -0.656 5.232 1.00 0.00 N ATOM 355 CA PHE A 26 -4.595 -1.545 5.753 1.00 0.00 C ATOM 356 C PHE A 26 -4.450 -1.384 7.264 1.00 0.00 C ATOM 357 O PHE A 26 -5.045 -0.489 7.863 1.00 0.00 O ATOM 358 CB PHE A 26 -3.255 -1.265 5.068 1.00 0.00 C ATOM 359 CG PHE A 26 -2.863 0.184 5.088 1.00 0.00 C ATOM 360 CD1 PHE A 26 -3.251 1.035 4.065 1.00 0.00 C ATOM 361 CD2 PHE A 26 -2.107 0.697 6.130 1.00 0.00 C ATOM 362 CE1 PHE A 26 -2.892 2.369 4.081 1.00 0.00 C ATOM 363 CE2 PHE A 26 -1.746 2.031 6.151 1.00 0.00 C ATOM 364 CZ PHE A 26 -2.138 2.868 5.124 1.00 0.00 C ATOM 0 H PHE A 26 -5.858 0.125 5.845 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.896 -2.571 5.542 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.477 -1.850 5.557 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.307 -1.605 4.034 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.841 0.651 3.246 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.796 0.047 6.935 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.201 3.021 3.278 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.158 2.419 6.970 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.855 3.910 5.137 1.00 0.00 H new ATOM 374 N ARG A 27 -3.655 -2.258 7.873 1.00 0.00 N ATOM 375 CA ARG A 27 -3.432 -2.214 9.313 1.00 0.00 C ATOM 376 C ARG A 27 -1.942 -2.135 9.631 1.00 0.00 C ATOM 377 O ARG A 27 -1.101 -2.483 8.802 1.00 0.00 O ATOM 378 CB ARG A 27 -4.043 -3.446 9.982 1.00 0.00 C ATOM 379 CG ARG A 27 -5.549 -3.551 9.807 1.00 0.00 C ATOM 380 CD ARG A 27 -6.198 -4.273 10.977 1.00 0.00 C ATOM 381 NE ARG A 27 -7.647 -4.094 10.996 1.00 0.00 N ATOM 382 CZ ARG A 27 -8.483 -4.926 11.607 1.00 0.00 C ATOM 383 NH1 ARG A 27 -8.016 -5.989 12.247 1.00 0.00 N ATOM 384 NH2 ARG A 27 -9.789 -4.695 11.580 1.00 0.00 N ATOM 0 H ARG A 27 -3.155 -3.005 7.391 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.916 -1.319 9.703 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -3.575 -4.341 9.572 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.810 -3.424 11.047 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.976 -2.552 9.713 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.772 -4.082 8.882 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.965 -5.336 10.921 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -5.775 -3.903 11.911 1.00 0.00 H new ATOM 0 HE ARG A 27 -8.039 -3.285 10.513 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -7.012 -6.170 12.271 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.660 -6.626 12.715 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -10.152 -3.878 11.090 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -10.430 -5.335 12.050 1.00 0.00 H new ATOM 398 N ALA A 28 -1.623 -1.676 10.836 1.00 0.00 N ATOM 399 CA ALA A 28 -0.235 -1.553 11.264 1.00 0.00 C ATOM 400 C ALA A 28 0.491 -2.891 11.163 1.00 0.00 C ATOM 401 O ALA A 28 0.195 -3.826 11.905 1.00 0.00 O ATOM 402 CB ALA A 28 -0.166 -1.020 12.687 1.00 0.00 C ATOM 0 H ALA A 28 -2.307 -1.383 11.534 1.00 0.00 H new ATOM 0 HA ALA A 28 0.263 -0.847 10.599 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.877 -0.933 12.993 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.640 -0.039 12.732 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.685 -1.705 13.358 1.00 0.00 H new ATOM 408 N GLY A 29 1.444 -2.974 10.239 1.00 0.00 N ATOM 409 CA GLY A 29 2.196 -4.201 10.058 1.00 0.00 C ATOM 410 C GLY A 29 1.706 -5.012 8.875 1.00 0.00 C ATOM 411 O GLY A 29 1.703 -6.242 8.916 1.00 0.00 O ATOM 0 H GLY A 29 1.708 -2.213 9.613 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.250 -3.960 9.918 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.124 -4.804 10.963 1.00 0.00 H new ATOM 415 N ASP A 30 1.290 -4.322 7.818 1.00 0.00 N ATOM 416 CA ASP A 30 0.795 -4.986 6.618 1.00 0.00 C ATOM 417 C ASP A 30 1.712 -4.714 5.429 1.00 0.00 C ATOM 418 O ASP A 30 1.997 -3.562 5.102 1.00 0.00 O ATOM 419 CB ASP A 30 -0.626 -4.518 6.300 1.00 0.00 C ATOM 420 CG ASP A 30 -1.658 -5.128 7.228 1.00 0.00 C ATOM 421 OD1 ASP A 30 -1.322 -5.380 8.404 1.00 0.00 O ATOM 422 OD2 ASP A 30 -2.801 -5.353 6.778 1.00 0.00 O ATOM 0 H ASP A 30 1.286 -3.303 7.768 1.00 0.00 H new ATOM 0 HA ASP A 30 0.782 -6.060 6.805 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.673 -3.431 6.374 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.869 -4.778 5.270 1.00 0.00 H new ATOM 427 N LYS A 31 2.172 -5.783 4.787 1.00 0.00 N ATOM 428 CA LYS A 31 3.057 -5.661 3.635 1.00 0.00 C ATOM 429 C LYS A 31 2.298 -5.137 2.420 1.00 0.00 C ATOM 430 O LYS A 31 1.235 -5.651 2.069 1.00 0.00 O ATOM 431 CB LYS A 31 3.692 -7.015 3.308 1.00 0.00 C ATOM 432 CG LYS A 31 4.399 -7.656 4.490 1.00 0.00 C ATOM 433 CD LYS A 31 5.834 -7.172 4.610 1.00 0.00 C ATOM 434 CE LYS A 31 6.472 -7.641 5.909 1.00 0.00 C ATOM 435 NZ LYS A 31 5.863 -6.981 7.097 1.00 0.00 N ATOM 0 H LYS A 31 1.946 -6.744 5.045 1.00 0.00 H new ATOM 0 HA LYS A 31 3.843 -4.949 3.886 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.918 -7.692 2.947 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.406 -6.885 2.495 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.858 -7.425 5.408 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.388 -8.740 4.378 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.415 -7.539 3.764 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.857 -6.083 4.564 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.362 -8.722 5.998 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.541 -7.430 5.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.484 -7.109 7.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.744 -5.965 6.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.935 -7.407 7.293 1.00 0.00 H new ATOM 449 N LEU A 32 2.851 -4.113 1.780 1.00 0.00 N ATOM 450 CA LEU A 32 2.228 -3.519 0.602 1.00 0.00 C ATOM 451 C LEU A 32 3.280 -3.103 -0.420 1.00 0.00 C ATOM 452 O LEU A 32 4.258 -2.437 -0.081 1.00 0.00 O ATOM 453 CB LEU A 32 1.383 -2.309 1.003 1.00 0.00 C ATOM 454 CG LEU A 32 0.236 -2.584 1.976 1.00 0.00 C ATOM 455 CD1 LEU A 32 -0.147 -1.315 2.723 1.00 0.00 C ATOM 456 CD2 LEU A 32 -0.967 -3.153 1.237 1.00 0.00 C ATOM 0 H LEU A 32 3.730 -3.676 2.057 1.00 0.00 H new ATOM 0 HA LEU A 32 1.583 -4.270 0.146 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.041 -1.564 1.450 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.967 -1.866 0.098 1.00 0.00 H new ATOM 0 HG LEU A 32 0.573 -3.322 2.704 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.965 -1.530 3.411 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.713 -0.950 3.285 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.464 -0.554 2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.773 -3.342 1.946 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.304 -2.438 0.486 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.686 -4.086 0.749 1.00 0.00 H new ATOM 468 N GLN A 33 3.071 -3.498 -1.672 1.00 0.00 N ATOM 469 CA GLN A 33 4.002 -3.164 -2.744 1.00 0.00 C ATOM 470 C GLN A 33 3.554 -1.906 -3.481 1.00 0.00 C ATOM 471 O GLN A 33 2.473 -1.871 -4.069 1.00 0.00 O ATOM 472 CB GLN A 33 4.122 -4.330 -3.726 1.00 0.00 C ATOM 473 CG GLN A 33 5.079 -4.061 -4.876 1.00 0.00 C ATOM 474 CD GLN A 33 5.331 -5.292 -5.725 1.00 0.00 C ATOM 475 OE1 GLN A 33 6.449 -5.805 -5.778 1.00 0.00 O ATOM 476 NE2 GLN A 33 4.290 -5.772 -6.395 1.00 0.00 N ATOM 0 H GLN A 33 2.266 -4.049 -1.969 1.00 0.00 H new ATOM 0 HA GLN A 33 4.978 -2.973 -2.298 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.456 -5.216 -3.186 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.136 -4.556 -4.131 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.673 -3.268 -5.504 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.027 -3.698 -4.478 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.381 -5.315 -6.321 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.399 -6.598 -6.983 1.00 0.00 H new ATOM 485 N VAL A 34 4.392 -0.875 -3.446 1.00 0.00 N ATOM 486 CA VAL A 34 4.083 0.385 -4.112 1.00 0.00 C ATOM 487 C VAL A 34 4.309 0.281 -5.616 1.00 0.00 C ATOM 488 O VAL A 34 5.429 0.044 -6.071 1.00 0.00 O ATOM 489 CB VAL A 34 4.936 1.539 -3.553 1.00 0.00 C ATOM 490 CG1 VAL A 34 4.735 2.800 -4.379 1.00 0.00 C ATOM 491 CG2 VAL A 34 4.600 1.790 -2.091 1.00 0.00 C ATOM 0 H VAL A 34 5.291 -0.887 -2.963 1.00 0.00 H new ATOM 0 HA VAL A 34 3.031 0.596 -3.920 1.00 0.00 H new ATOM 0 HB VAL A 34 5.987 1.255 -3.617 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.346 3.605 -3.969 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.030 2.610 -5.411 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.685 3.091 -4.350 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.212 2.609 -1.712 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.546 2.053 -2.000 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.801 0.889 -1.512 1.00 0.00 H new ATOM 501 N LEU A 35 3.240 0.461 -6.383 1.00 0.00 N ATOM 502 CA LEU A 35 3.321 0.389 -7.838 1.00 0.00 C ATOM 503 C LEU A 35 3.507 1.777 -8.442 1.00 0.00 C ATOM 504 O LEU A 35 4.490 2.036 -9.136 1.00 0.00 O ATOM 505 CB LEU A 35 2.060 -0.263 -8.407 1.00 0.00 C ATOM 506 CG LEU A 35 1.565 -1.514 -7.680 1.00 0.00 C ATOM 507 CD1 LEU A 35 0.091 -1.753 -7.973 1.00 0.00 C ATOM 508 CD2 LEU A 35 2.393 -2.726 -8.080 1.00 0.00 C ATOM 0 H LEU A 35 2.307 0.658 -6.022 1.00 0.00 H new ATOM 0 HA LEU A 35 4.187 -0.220 -8.100 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.259 0.476 -8.402 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.248 -0.523 -9.449 1.00 0.00 H new ATOM 0 HG LEU A 35 1.681 -1.358 -6.608 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.244 -2.647 -7.447 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.491 -0.895 -7.636 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.050 -1.888 -9.045 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.027 -3.607 -7.553 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.309 -2.885 -9.155 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.437 -2.555 -7.819 1.00 0.00 H new ATOM 520 N ASP A 36 2.558 2.666 -8.172 1.00 0.00 N ATOM 521 CA ASP A 36 2.618 4.029 -8.687 1.00 0.00 C ATOM 522 C ASP A 36 3.025 5.007 -7.589 1.00 0.00 C ATOM 523 O ASP A 36 2.494 4.967 -6.478 1.00 0.00 O ATOM 524 CB ASP A 36 1.265 4.436 -9.274 1.00 0.00 C ATOM 525 CG ASP A 36 1.397 5.495 -10.350 1.00 0.00 C ATOM 526 OD1 ASP A 36 2.286 6.362 -10.224 1.00 0.00 O ATOM 527 OD2 ASP A 36 0.609 5.458 -11.319 1.00 0.00 O ATOM 0 H ASP A 36 1.738 2.467 -7.599 1.00 0.00 H new ATOM 0 HA ASP A 36 3.371 4.061 -9.475 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.774 3.557 -9.692 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.624 4.811 -8.476 1.00 0.00 H new ATOM 532 N THR A 37 3.971 5.885 -7.906 1.00 0.00 N ATOM 533 CA THR A 37 4.451 6.871 -6.946 1.00 0.00 C ATOM 534 C THR A 37 4.408 8.277 -7.535 1.00 0.00 C ATOM 535 O THR A 37 5.308 9.085 -7.303 1.00 0.00 O ATOM 536 CB THR A 37 5.890 6.560 -6.493 1.00 0.00 C ATOM 537 OG1 THR A 37 6.743 6.418 -7.634 1.00 0.00 O ATOM 538 CG2 THR A 37 5.932 5.288 -5.660 1.00 0.00 C ATOM 0 H THR A 37 4.420 5.933 -8.821 1.00 0.00 H new ATOM 0 HA THR A 37 3.788 6.821 -6.082 1.00 0.00 H new ATOM 0 HB THR A 37 6.241 7.389 -5.879 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.656 6.222 -7.337 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.958 5.089 -5.352 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.305 5.411 -4.777 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.563 4.452 -6.254 1.00 0.00 H new ATOM 546 N SER A 38 3.357 8.563 -8.296 1.00 0.00 N ATOM 547 CA SER A 38 3.199 9.871 -8.921 1.00 0.00 C ATOM 548 C SER A 38 2.591 10.870 -7.941 1.00 0.00 C ATOM 549 O SER A 38 3.275 11.767 -7.447 1.00 0.00 O ATOM 550 CB SER A 38 2.319 9.761 -10.167 1.00 0.00 C ATOM 551 OG SER A 38 2.196 11.015 -10.817 1.00 0.00 O ATOM 0 H SER A 38 2.602 7.907 -8.495 1.00 0.00 H new ATOM 0 HA SER A 38 4.186 10.229 -9.213 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.747 9.032 -10.855 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.331 9.394 -9.887 1.00 0.00 H new ATOM 0 HG SER A 38 1.630 10.918 -11.611 1.00 0.00 H new ATOM 557 N HIS A 39 1.300 10.709 -7.666 1.00 0.00 N ATOM 558 CA HIS A 39 0.599 11.596 -6.745 1.00 0.00 C ATOM 559 C HIS A 39 1.348 11.708 -5.420 1.00 0.00 C ATOM 560 O HIS A 39 1.415 10.748 -4.653 1.00 0.00 O ATOM 561 CB HIS A 39 -0.823 11.090 -6.499 1.00 0.00 C ATOM 562 CG HIS A 39 -1.686 12.064 -5.758 1.00 0.00 C ATOM 563 ND1 HIS A 39 -1.337 13.384 -5.565 1.00 0.00 N ATOM 564 CD2 HIS A 39 -2.892 11.905 -5.163 1.00 0.00 C ATOM 565 CE1 HIS A 39 -2.289 13.994 -4.882 1.00 0.00 C ATOM 566 NE2 HIS A 39 -3.244 13.118 -4.626 1.00 0.00 N ATOM 0 H HIS A 39 0.719 9.973 -8.068 1.00 0.00 H new ATOM 0 HA HIS A 39 0.551 12.586 -7.199 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -1.289 10.860 -7.457 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -0.776 10.158 -5.936 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -3.469 10.993 -5.119 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -2.287 15.032 -4.584 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -4.104 13.312 -4.112 1.00 0.00 H new ATOM 575 N GLU A 40 1.910 12.884 -5.161 1.00 0.00 N ATOM 576 CA GLU A 40 2.656 13.119 -3.930 1.00 0.00 C ATOM 577 C GLU A 40 1.774 12.884 -2.707 1.00 0.00 C ATOM 578 O GLU A 40 0.824 13.626 -2.461 1.00 0.00 O ATOM 579 CB GLU A 40 3.210 14.545 -3.907 1.00 0.00 C ATOM 580 CG GLU A 40 2.143 15.615 -4.071 1.00 0.00 C ATOM 581 CD GLU A 40 2.710 16.935 -4.556 1.00 0.00 C ATOM 582 OE1 GLU A 40 3.154 17.737 -3.708 1.00 0.00 O ATOM 583 OE2 GLU A 40 2.710 17.166 -5.783 1.00 0.00 O ATOM 0 H GLU A 40 1.863 13.688 -5.786 1.00 0.00 H new ATOM 0 HA GLU A 40 3.487 12.414 -3.898 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.734 14.707 -2.965 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.946 14.653 -4.704 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.390 15.266 -4.777 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.639 15.769 -3.117 1.00 0.00 H new ATOM 590 N GLY A 41 2.097 11.845 -1.942 1.00 0.00 N ATOM 591 CA GLY A 41 1.326 11.530 -0.755 1.00 0.00 C ATOM 592 C GLY A 41 0.559 10.229 -0.890 1.00 0.00 C ATOM 593 O GLY A 41 0.692 9.333 -0.056 1.00 0.00 O ATOM 0 H GLY A 41 2.879 11.216 -2.124 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.995 11.466 0.103 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.627 12.341 -0.554 1.00 0.00 H new ATOM 597 N TRP A 42 -0.247 10.126 -1.940 1.00 0.00 N ATOM 598 CA TRP A 42 -1.040 8.926 -2.180 1.00 0.00 C ATOM 599 C TRP A 42 -0.375 8.034 -3.224 1.00 0.00 C ATOM 600 O TRP A 42 -0.181 8.443 -4.369 1.00 0.00 O ATOM 601 CB TRP A 42 -2.450 9.304 -2.638 1.00 0.00 C ATOM 602 CG TRP A 42 -3.207 10.107 -1.624 1.00 0.00 C ATOM 603 CD1 TRP A 42 -3.282 11.468 -1.546 1.00 0.00 C ATOM 604 CD2 TRP A 42 -3.996 9.598 -0.543 1.00 0.00 C ATOM 605 NE1 TRP A 42 -4.069 11.836 -0.482 1.00 0.00 N ATOM 606 CE2 TRP A 42 -4.520 10.707 0.149 1.00 0.00 C ATOM 607 CE3 TRP A 42 -4.312 8.313 -0.094 1.00 0.00 C ATOM 608 CZ2 TRP A 42 -5.341 10.568 1.265 1.00 0.00 C ATOM 609 CZ3 TRP A 42 -5.127 8.177 1.014 1.00 0.00 C ATOM 610 CH2 TRP A 42 -5.634 9.299 1.683 1.00 0.00 C ATOM 0 H TRP A 42 -0.369 10.859 -2.639 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.106 8.371 -1.244 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -2.383 9.873 -3.565 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -3.008 8.395 -2.861 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -2.794 12.155 -2.222 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -4.283 12.795 -0.206 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.927 7.442 -0.603 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -5.733 11.431 1.782 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -5.377 7.189 1.370 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -6.269 9.159 2.546 1.00 0.00 H new ATOM 621 N TRP A 43 -0.031 6.816 -2.822 1.00 0.00 N ATOM 622 CA TRP A 43 0.612 5.867 -3.723 1.00 0.00 C ATOM 623 C TRP A 43 -0.312 4.693 -4.027 1.00 0.00 C ATOM 624 O TRP A 43 -1.179 4.349 -3.223 1.00 0.00 O ATOM 625 CB TRP A 43 1.920 5.359 -3.114 1.00 0.00 C ATOM 626 CG TRP A 43 2.960 6.427 -2.964 1.00 0.00 C ATOM 627 CD1 TRP A 43 3.018 7.615 -3.636 1.00 0.00 C ATOM 628 CD2 TRP A 43 4.092 6.404 -2.088 1.00 0.00 C ATOM 629 NE1 TRP A 43 4.118 8.331 -3.231 1.00 0.00 N ATOM 630 CE2 TRP A 43 4.793 7.610 -2.281 1.00 0.00 C ATOM 631 CE3 TRP A 43 4.581 5.483 -1.158 1.00 0.00 C ATOM 632 CZ2 TRP A 43 5.956 7.916 -1.578 1.00 0.00 C ATOM 633 CZ3 TRP A 43 5.735 5.787 -0.462 1.00 0.00 C ATOM 634 CH2 TRP A 43 6.411 6.996 -0.674 1.00 0.00 C ATOM 0 H TRP A 43 -0.187 6.462 -1.878 1.00 0.00 H new ATOM 0 HA TRP A 43 0.832 6.383 -4.657 1.00 0.00 H new ATOM 0 HB2 TRP A 43 1.712 4.924 -2.136 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.318 4.560 -3.740 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.304 7.943 -4.377 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.389 9.250 -3.581 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.066 4.550 -0.986 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.480 8.846 -1.741 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 6.123 5.081 0.258 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.309 7.206 -0.112 1.00 0.00 H new ATOM 645 N LEU A 44 -0.122 4.082 -5.191 1.00 0.00 N ATOM 646 CA LEU A 44 -0.940 2.945 -5.600 1.00 0.00 C ATOM 647 C LEU A 44 -0.228 1.628 -5.305 1.00 0.00 C ATOM 648 O LEU A 44 0.629 1.189 -6.071 1.00 0.00 O ATOM 649 CB LEU A 44 -1.267 3.038 -7.091 1.00 0.00 C ATOM 650 CG LEU A 44 -1.959 1.819 -7.704 1.00 0.00 C ATOM 651 CD1 LEU A 44 -3.346 1.638 -7.107 1.00 0.00 C ATOM 652 CD2 LEU A 44 -2.041 1.957 -9.217 1.00 0.00 C ATOM 0 H LEU A 44 0.591 4.354 -5.868 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.868 2.971 -5.028 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.902 3.909 -7.249 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.340 3.216 -7.635 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.367 0.933 -7.472 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.824 0.766 -7.554 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.262 1.493 -6.030 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.947 2.525 -7.308 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.536 1.081 -9.636 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.610 2.851 -9.470 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.036 2.038 -9.630 1.00 0.00 H new ATOM 664 N ALA A 45 -0.591 1.003 -4.190 1.00 0.00 N ATOM 665 CA ALA A 45 0.010 -0.266 -3.796 1.00 0.00 C ATOM 666 C ALA A 45 -1.022 -1.388 -3.806 1.00 0.00 C ATOM 667 O ALA A 45 -2.227 -1.137 -3.848 1.00 0.00 O ATOM 668 CB ALA A 45 0.645 -0.143 -2.419 1.00 0.00 C ATOM 0 H ALA A 45 -1.298 1.354 -3.544 1.00 0.00 H new ATOM 0 HA ALA A 45 0.785 -0.514 -4.521 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.090 -1.097 -2.137 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.418 0.625 -2.442 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.117 0.131 -1.690 1.00 0.00 H new ATOM 674 N ARG A 46 -0.543 -2.627 -3.768 1.00 0.00 N ATOM 675 CA ARG A 46 -1.424 -3.788 -3.775 1.00 0.00 C ATOM 676 C ARG A 46 -1.082 -4.738 -2.631 1.00 0.00 C ATOM 677 O ARG A 46 0.083 -4.886 -2.260 1.00 0.00 O ATOM 678 CB ARG A 46 -1.321 -4.525 -5.111 1.00 0.00 C ATOM 679 CG ARG A 46 -0.054 -5.352 -5.255 1.00 0.00 C ATOM 680 CD ARG A 46 0.183 -5.762 -6.700 1.00 0.00 C ATOM 681 NE ARG A 46 1.165 -6.837 -6.810 1.00 0.00 N ATOM 682 CZ ARG A 46 1.455 -7.454 -7.950 1.00 0.00 C ATOM 683 NH1 ARG A 46 0.841 -7.104 -9.072 1.00 0.00 N ATOM 684 NH2 ARG A 46 2.361 -8.424 -7.969 1.00 0.00 N ATOM 0 H ARG A 46 0.451 -2.852 -3.732 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.447 -3.436 -3.639 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.186 -5.179 -5.223 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.364 -3.798 -5.922 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.799 -4.778 -4.894 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.126 -6.242 -4.630 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.759 -6.084 -7.144 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.525 -4.899 -7.270 1.00 0.00 H new ATOM 0 HE ARG A 46 1.655 -7.130 -5.965 1.00 0.00 H new ATOM 0 HH11 ARG A 46 0.144 -6.359 -9.061 1.00 0.00 H new ATOM 0 HH12 ARG A 46 1.066 -7.579 -9.946 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.835 -8.696 -7.108 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.583 -8.897 -8.845 1.00 0.00 H new ATOM 698 N HIS A 47 -2.105 -5.378 -2.073 1.00 0.00 N ATOM 699 CA HIS A 47 -1.913 -6.313 -0.971 1.00 0.00 C ATOM 700 C HIS A 47 -0.962 -7.437 -1.371 1.00 0.00 C ATOM 701 O HIS A 47 -1.133 -8.066 -2.417 1.00 0.00 O ATOM 702 CB HIS A 47 -3.255 -6.898 -0.530 1.00 0.00 C ATOM 703 CG HIS A 47 -3.936 -6.095 0.536 1.00 0.00 C ATOM 704 ND1 HIS A 47 -3.428 -5.948 1.809 1.00 0.00 N ATOM 705 CD2 HIS A 47 -5.093 -5.392 0.511 1.00 0.00 C ATOM 706 CE1 HIS A 47 -4.242 -5.191 2.522 1.00 0.00 C ATOM 707 NE2 HIS A 47 -5.261 -4.840 1.757 1.00 0.00 N ATOM 0 H HIS A 47 -3.075 -5.266 -2.366 1.00 0.00 H new ATOM 0 HA HIS A 47 -1.472 -5.767 -0.137 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.913 -6.970 -1.396 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -3.097 -7.913 -0.164 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -5.760 -5.285 -0.332 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -4.099 -4.907 3.554 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -6.045 -4.254 2.045 1.00 0.00 H new ATOM 716 N LEU A 48 0.040 -7.685 -0.535 1.00 0.00 N ATOM 717 CA LEU A 48 1.018 -8.733 -0.802 1.00 0.00 C ATOM 718 C LEU A 48 0.708 -9.987 0.009 1.00 0.00 C ATOM 719 O LEU A 48 0.917 -11.106 -0.458 1.00 0.00 O ATOM 720 CB LEU A 48 2.428 -8.237 -0.476 1.00 0.00 C ATOM 721 CG LEU A 48 2.959 -7.100 -1.350 1.00 0.00 C ATOM 722 CD1 LEU A 48 4.198 -6.479 -0.725 1.00 0.00 C ATOM 723 CD2 LEU A 48 3.262 -7.604 -2.753 1.00 0.00 C ATOM 0 H LEU A 48 0.196 -7.174 0.334 1.00 0.00 H new ATOM 0 HA LEU A 48 0.964 -8.985 -1.861 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.444 -7.908 0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.115 -9.080 -0.554 1.00 0.00 H new ATOM 0 HG LEU A 48 2.190 -6.331 -1.420 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.561 -5.672 -1.361 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.949 -6.081 0.259 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.974 -7.238 -0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.639 -6.782 -3.361 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.013 -8.392 -2.702 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.351 -8.000 -3.202 1.00 0.00 H new ATOM 735 N GLU A 49 0.207 -9.791 1.225 1.00 0.00 N ATOM 736 CA GLU A 49 -0.133 -10.907 2.099 1.00 0.00 C ATOM 737 C GLU A 49 -1.054 -11.895 1.388 1.00 0.00 C ATOM 738 O GLU A 49 -2.220 -11.597 1.129 1.00 0.00 O ATOM 739 CB GLU A 49 -0.803 -10.397 3.377 1.00 0.00 C ATOM 740 CG GLU A 49 0.180 -10.038 4.478 1.00 0.00 C ATOM 741 CD GLU A 49 -0.426 -10.157 5.863 1.00 0.00 C ATOM 742 OE1 GLU A 49 -1.452 -9.494 6.121 1.00 0.00 O ATOM 743 OE2 GLU A 49 0.127 -10.914 6.689 1.00 0.00 O ATOM 0 H GLU A 49 0.028 -8.871 1.626 1.00 0.00 H new ATOM 0 HA GLU A 49 0.790 -11.423 2.362 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.403 -9.519 3.137 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.488 -11.160 3.747 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.051 -10.690 4.409 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.533 -9.018 4.326 1.00 0.00 H new ATOM 750 N LYS A 50 -0.522 -13.071 1.075 1.00 0.00 N ATOM 751 CA LYS A 50 -1.294 -14.104 0.395 1.00 0.00 C ATOM 752 C LYS A 50 -2.470 -14.558 1.253 1.00 0.00 C ATOM 753 O LYS A 50 -3.608 -14.614 0.787 1.00 0.00 O ATOM 754 CB LYS A 50 -0.400 -15.300 0.061 1.00 0.00 C ATOM 755 CG LYS A 50 0.392 -15.128 -1.224 1.00 0.00 C ATOM 756 CD LYS A 50 1.573 -16.082 -1.283 1.00 0.00 C ATOM 757 CE LYS A 50 2.816 -15.471 -0.654 1.00 0.00 C ATOM 758 NZ LYS A 50 3.362 -14.356 -1.476 1.00 0.00 N ATOM 0 H LYS A 50 0.442 -13.333 1.282 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.685 -13.681 -0.530 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.293 -15.466 0.886 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.019 -16.194 -0.020 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.260 -15.301 -2.080 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.749 -14.101 -1.298 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.320 -17.008 -0.766 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.780 -16.343 -2.321 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.575 -15.103 0.343 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.578 -16.241 -0.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.362 -14.203 -1.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.284 -14.598 -2.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.823 -13.488 -1.285 1.00 0.00 H new ATOM 772 N LYS A 51 -2.188 -14.881 2.511 1.00 0.00 N ATOM 773 CA LYS A 51 -3.223 -15.328 3.436 1.00 0.00 C ATOM 774 C LYS A 51 -3.584 -14.223 4.423 1.00 0.00 C ATOM 775 O LYS A 51 -2.717 -13.483 4.887 1.00 0.00 O ATOM 776 CB LYS A 51 -2.754 -16.571 4.196 1.00 0.00 C ATOM 777 CG LYS A 51 -3.886 -17.358 4.832 1.00 0.00 C ATOM 778 CD LYS A 51 -3.361 -18.441 5.760 1.00 0.00 C ATOM 779 CE LYS A 51 -3.111 -19.742 5.013 1.00 0.00 C ATOM 780 NZ LYS A 51 -2.135 -20.612 5.727 1.00 0.00 N ATOM 0 H LYS A 51 -1.251 -14.842 2.913 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.111 -15.578 2.855 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.210 -17.222 3.511 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.052 -16.268 4.973 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.532 -16.681 5.391 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.498 -17.811 4.052 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.435 -18.104 6.227 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.078 -18.613 6.563 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.053 -20.277 4.890 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.737 -19.521 4.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.991 -21.489 5.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.228 -20.111 5.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.503 -20.844 6.672 1.00 0.00 H new ATOM 794 N GLY A 52 -4.871 -14.117 4.742 1.00 0.00 N ATOM 795 CA GLY A 52 -5.324 -13.100 5.673 1.00 0.00 C ATOM 796 C GLY A 52 -6.644 -12.482 5.259 1.00 0.00 C ATOM 797 O GLY A 52 -6.778 -11.971 4.146 1.00 0.00 O ATOM 0 H GLY A 52 -5.608 -14.718 4.372 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.428 -13.540 6.665 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.568 -12.318 5.748 1.00 0.00 H new ATOM 801 N THR A 53 -7.625 -12.528 6.155 1.00 0.00 N ATOM 802 CA THR A 53 -8.942 -11.971 5.876 1.00 0.00 C ATOM 803 C THR A 53 -9.010 -10.499 6.267 1.00 0.00 C ATOM 804 O THR A 53 -8.842 -10.148 7.434 1.00 0.00 O ATOM 805 CB THR A 53 -10.048 -12.740 6.624 1.00 0.00 C ATOM 806 OG1 THR A 53 -9.955 -14.139 6.330 1.00 0.00 O ATOM 807 CG2 THR A 53 -11.425 -12.225 6.233 1.00 0.00 C ATOM 0 H THR A 53 -7.532 -12.946 7.081 1.00 0.00 H new ATOM 0 HA THR A 53 -9.105 -12.068 4.803 1.00 0.00 H new ATOM 0 HB THR A 53 -9.910 -12.583 7.694 1.00 0.00 H new ATOM 0 HG1 THR A 53 -10.660 -14.622 6.810 1.00 0.00 H new ATOM 0 HG21 THR A 53 -12.189 -12.783 6.774 1.00 0.00 H new ATOM 0 HG22 THR A 53 -11.503 -11.167 6.484 1.00 0.00 H new ATOM 0 HG23 THR A 53 -11.571 -12.355 5.161 1.00 0.00 H new ATOM 815 N GLY A 54 -9.259 -9.640 5.282 1.00 0.00 N ATOM 816 CA GLY A 54 -9.346 -8.216 5.545 1.00 0.00 C ATOM 817 C GLY A 54 -10.599 -7.594 4.961 1.00 0.00 C ATOM 818 O GLY A 54 -11.136 -8.079 3.964 1.00 0.00 O ATOM 0 H GLY A 54 -9.402 -9.906 4.308 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.328 -8.047 6.622 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.470 -7.719 5.129 1.00 0.00 H new ATOM 822 N LEU A 55 -11.069 -6.518 5.584 1.00 0.00 N ATOM 823 CA LEU A 55 -12.269 -5.830 5.121 1.00 0.00 C ATOM 824 C LEU A 55 -11.921 -4.769 4.082 1.00 0.00 C ATOM 825 O LEU A 55 -11.136 -3.860 4.346 1.00 0.00 O ATOM 826 CB LEU A 55 -12.997 -5.185 6.301 1.00 0.00 C ATOM 827 CG LEU A 55 -13.969 -6.086 7.064 1.00 0.00 C ATOM 828 CD1 LEU A 55 -13.227 -6.910 8.105 1.00 0.00 C ATOM 829 CD2 LEU A 55 -15.064 -5.256 7.719 1.00 0.00 C ATOM 0 H LEU A 55 -10.638 -6.104 6.410 1.00 0.00 H new ATOM 0 HA LEU A 55 -12.924 -6.566 4.656 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -12.251 -4.813 7.003 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -13.548 -4.320 5.933 1.00 0.00 H new ATOM 0 HG LEU A 55 -14.435 -6.769 6.354 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -13.934 -7.545 8.638 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -12.481 -7.533 7.612 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -12.733 -6.244 8.812 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -15.746 -5.914 8.257 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -14.616 -4.548 8.417 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -15.615 -4.711 6.953 1.00 0.00 H new ATOM 841 N GLY A 56 -12.515 -4.891 2.898 1.00 0.00 N ATOM 842 CA GLY A 56 -12.257 -3.934 1.837 1.00 0.00 C ATOM 843 C GLY A 56 -12.988 -4.279 0.555 1.00 0.00 C ATOM 844 O GLY A 56 -13.723 -5.265 0.499 1.00 0.00 O ATOM 0 H GLY A 56 -13.169 -5.635 2.655 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.558 -2.940 2.167 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.186 -3.893 1.641 1.00 0.00 H new ATOM 848 N GLN A 57 -12.788 -3.465 -0.476 1.00 0.00 N ATOM 849 CA GLN A 57 -13.437 -3.689 -1.763 1.00 0.00 C ATOM 850 C GLN A 57 -12.429 -4.162 -2.805 1.00 0.00 C ATOM 851 O GLN A 57 -12.664 -5.145 -3.507 1.00 0.00 O ATOM 852 CB GLN A 57 -14.121 -2.408 -2.242 1.00 0.00 C ATOM 853 CG GLN A 57 -13.172 -1.230 -2.391 1.00 0.00 C ATOM 854 CD GLN A 57 -13.892 0.061 -2.729 1.00 0.00 C ATOM 855 OE1 GLN A 57 -14.809 0.477 -2.021 1.00 0.00 O ATOM 856 NE2 GLN A 57 -13.479 0.702 -3.816 1.00 0.00 N ATOM 0 H GLN A 57 -12.182 -2.645 -0.446 1.00 0.00 H new ATOM 0 HA GLN A 57 -14.189 -4.467 -1.633 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -14.602 -2.600 -3.201 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -14.909 -2.142 -1.538 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -12.614 -1.098 -1.464 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -12.445 -1.451 -3.172 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -12.715 0.320 -4.374 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -13.926 1.576 -4.093 1.00 0.00 H new ATOM 865 N GLN A 58 -11.308 -3.455 -2.900 1.00 0.00 N ATOM 866 CA GLN A 58 -10.265 -3.803 -3.859 1.00 0.00 C ATOM 867 C GLN A 58 -9.018 -4.315 -3.145 1.00 0.00 C ATOM 868 O GLN A 58 -8.877 -4.160 -1.931 1.00 0.00 O ATOM 869 CB GLN A 58 -9.911 -2.591 -4.722 1.00 0.00 C ATOM 870 CG GLN A 58 -9.388 -1.408 -3.924 1.00 0.00 C ATOM 871 CD GLN A 58 -9.641 -0.081 -4.613 1.00 0.00 C ATOM 872 OE1 GLN A 58 -10.270 0.814 -4.048 1.00 0.00 O ATOM 873 NE2 GLN A 58 -9.153 0.051 -5.841 1.00 0.00 N ATOM 0 H GLN A 58 -11.098 -2.639 -2.326 1.00 0.00 H new ATOM 0 HA GLN A 58 -10.647 -4.598 -4.500 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -9.160 -2.885 -5.455 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -10.795 -2.281 -5.278 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -9.861 -1.399 -2.942 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -8.317 -1.530 -3.761 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -8.638 -0.717 -6.270 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -9.294 0.921 -6.355 1.00 0.00 H new ATOM 882 N LEU A 59 -8.116 -4.925 -3.905 1.00 0.00 N ATOM 883 CA LEU A 59 -6.880 -5.461 -3.345 1.00 0.00 C ATOM 884 C LEU A 59 -5.744 -4.449 -3.466 1.00 0.00 C ATOM 885 O LEU A 59 -4.721 -4.568 -2.792 1.00 0.00 O ATOM 886 CB LEU A 59 -6.497 -6.761 -4.053 1.00 0.00 C ATOM 887 CG LEU A 59 -5.876 -6.611 -5.442 1.00 0.00 C ATOM 888 CD1 LEU A 59 -4.363 -6.498 -5.341 1.00 0.00 C ATOM 889 CD2 LEU A 59 -6.266 -7.784 -6.330 1.00 0.00 C ATOM 0 H LEU A 59 -8.217 -5.061 -4.911 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.049 -5.667 -2.288 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.795 -7.303 -3.420 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.390 -7.380 -4.141 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.259 -5.696 -5.893 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.939 -6.392 -6.339 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.103 -5.626 -4.741 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.962 -7.395 -4.870 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.815 -7.661 -7.315 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.912 -8.713 -5.883 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.351 -7.820 -6.430 1.00 0.00 H new ATOM 901 N GLN A 60 -5.934 -3.455 -4.327 1.00 0.00 N ATOM 902 CA GLN A 60 -4.926 -2.422 -4.534 1.00 0.00 C ATOM 903 C GLN A 60 -5.578 -1.067 -4.787 1.00 0.00 C ATOM 904 O GLN A 60 -6.556 -0.966 -5.527 1.00 0.00 O ATOM 905 CB GLN A 60 -4.020 -2.792 -5.710 1.00 0.00 C ATOM 906 CG GLN A 60 -4.630 -2.486 -7.068 1.00 0.00 C ATOM 907 CD GLN A 60 -3.721 -2.875 -8.217 1.00 0.00 C ATOM 908 OE1 GLN A 60 -2.957 -3.835 -8.122 1.00 0.00 O ATOM 909 NE2 GLN A 60 -3.800 -2.128 -9.313 1.00 0.00 N ATOM 0 H GLN A 60 -6.776 -3.343 -4.892 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.324 -2.351 -3.628 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.077 -2.253 -5.615 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.786 -3.855 -5.657 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -5.578 -3.016 -7.164 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -4.853 -1.421 -7.130 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.448 -1.341 -9.348 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.213 -2.342 -10.119 1.00 0.00 H new ATOM 918 N GLY A 61 -5.031 -0.026 -4.165 1.00 0.00 N ATOM 919 CA GLY A 61 -5.574 1.309 -4.336 1.00 0.00 C ATOM 920 C GLY A 61 -4.624 2.387 -3.852 1.00 0.00 C ATOM 921 O GLY A 61 -3.424 2.150 -3.714 1.00 0.00 O ATOM 0 H GLY A 61 -4.222 -0.084 -3.546 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.800 1.474 -5.390 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.515 1.388 -3.792 1.00 0.00 H new ATOM 925 N TYR A 62 -5.161 3.574 -3.594 1.00 0.00 N ATOM 926 CA TYR A 62 -4.353 4.693 -3.126 1.00 0.00 C ATOM 927 C TYR A 62 -4.180 4.645 -1.611 1.00 0.00 C ATOM 928 O TYR A 62 -5.138 4.412 -0.873 1.00 0.00 O ATOM 929 CB TYR A 62 -4.995 6.020 -3.536 1.00 0.00 C ATOM 930 CG TYR A 62 -5.088 6.211 -5.033 1.00 0.00 C ATOM 931 CD1 TYR A 62 -3.943 6.288 -5.816 1.00 0.00 C ATOM 932 CD2 TYR A 62 -6.321 6.314 -5.665 1.00 0.00 C ATOM 933 CE1 TYR A 62 -4.023 6.464 -7.183 1.00 0.00 C ATOM 934 CE2 TYR A 62 -6.411 6.488 -7.032 1.00 0.00 C ATOM 935 CZ TYR A 62 -5.259 6.563 -7.787 1.00 0.00 C ATOM 936 OH TYR A 62 -5.343 6.736 -9.150 1.00 0.00 O ATOM 0 H TYR A 62 -6.153 3.786 -3.701 1.00 0.00 H new ATOM 0 HA TYR A 62 -3.369 4.615 -3.588 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -5.996 6.077 -3.108 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -4.418 6.840 -3.109 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -2.973 6.209 -5.347 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -7.225 6.257 -5.077 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.123 6.524 -7.776 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -7.378 6.565 -7.507 1.00 0.00 H new ATOM 0 HH TYR A 62 -6.285 6.786 -9.416 1.00 0.00 H new ATOM 946 N ILE A 63 -2.952 4.868 -1.156 1.00 0.00 N ATOM 947 CA ILE A 63 -2.653 4.852 0.271 1.00 0.00 C ATOM 948 C ILE A 63 -1.630 5.925 0.630 1.00 0.00 C ATOM 949 O ILE A 63 -0.720 6.233 -0.140 1.00 0.00 O ATOM 950 CB ILE A 63 -2.118 3.479 0.719 1.00 0.00 C ATOM 951 CG1 ILE A 63 -0.834 3.135 -0.038 1.00 0.00 C ATOM 952 CG2 ILE A 63 -3.172 2.404 0.501 1.00 0.00 C ATOM 953 CD1 ILE A 63 -0.003 2.065 0.635 1.00 0.00 C ATOM 0 H ILE A 63 -2.149 5.062 -1.754 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.589 5.056 0.792 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.888 3.525 1.783 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.093 2.804 -1.044 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.232 4.037 -0.145 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.780 1.439 0.822 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.063 2.645 1.081 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.430 2.357 -0.557 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.892 1.873 0.043 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.286 2.402 1.631 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.587 1.149 0.718 1.00 0.00 H new ATOM 965 N PRO A 64 -1.780 6.507 1.829 1.00 0.00 N ATOM 966 CA PRO A 64 -0.877 7.553 2.319 1.00 0.00 C ATOM 967 C PRO A 64 0.511 7.014 2.646 1.00 0.00 C ATOM 968 O PRO A 64 0.650 6.022 3.361 1.00 0.00 O ATOM 969 CB PRO A 64 -1.569 8.052 3.590 1.00 0.00 C ATOM 970 CG PRO A 64 -2.399 6.902 4.046 1.00 0.00 C ATOM 971 CD PRO A 64 -2.842 6.190 2.798 1.00 0.00 C ATOM 0 HA PRO A 64 -0.712 8.331 1.573 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -0.842 8.341 4.349 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.184 8.929 3.388 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -1.824 6.238 4.691 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -3.257 7.245 4.625 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -2.932 5.116 2.959 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.815 6.544 2.458 1.00 0.00 H new ATOM 979 N SER A 65 1.537 7.674 2.117 1.00 0.00 N ATOM 980 CA SER A 65 2.915 7.259 2.349 1.00 0.00 C ATOM 981 C SER A 65 3.349 7.588 3.775 1.00 0.00 C ATOM 982 O SER A 65 4.069 6.819 4.409 1.00 0.00 O ATOM 983 CB SER A 65 3.851 7.940 1.349 1.00 0.00 C ATOM 984 OG SER A 65 3.794 9.350 1.476 1.00 0.00 O ATOM 0 H SER A 65 1.439 8.499 1.525 1.00 0.00 H new ATOM 0 HA SER A 65 2.971 6.179 2.210 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.873 7.598 1.512 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.576 7.652 0.334 1.00 0.00 H new ATOM 0 HG SER A 65 4.402 9.762 0.827 1.00 0.00 H new ATOM 990 N ASN A 66 2.904 8.739 4.270 1.00 0.00 N ATOM 991 CA ASN A 66 3.246 9.172 5.620 1.00 0.00 C ATOM 992 C ASN A 66 2.807 8.137 6.651 1.00 0.00 C ATOM 993 O ASN A 66 3.260 8.155 7.796 1.00 0.00 O ATOM 994 CB ASN A 66 2.592 10.521 5.926 1.00 0.00 C ATOM 995 CG ASN A 66 2.970 11.588 4.916 1.00 0.00 C ATOM 996 OD1 ASN A 66 2.625 11.494 3.738 1.00 0.00 O ATOM 997 ND2 ASN A 66 3.683 12.610 5.375 1.00 0.00 N ATOM 0 H ASN A 66 2.307 9.388 3.757 1.00 0.00 H new ATOM 0 HA ASN A 66 4.329 9.279 5.677 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.509 10.402 5.937 1.00 0.00 H new ATOM 0 HB3 ASN A 66 2.887 10.847 6.923 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.967 13.358 4.743 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.947 12.647 6.360 1.00 0.00 H new ATOM 1004 N TYR A 67 1.923 7.236 6.237 1.00 0.00 N ATOM 1005 CA TYR A 67 1.421 6.194 7.125 1.00 0.00 C ATOM 1006 C TYR A 67 2.328 4.967 7.093 1.00 0.00 C ATOM 1007 O TYR A 67 2.430 4.230 8.074 1.00 0.00 O ATOM 1008 CB TYR A 67 -0.003 5.799 6.729 1.00 0.00 C ATOM 1009 CG TYR A 67 -1.069 6.658 7.369 1.00 0.00 C ATOM 1010 CD1 TYR A 67 -0.959 8.044 7.380 1.00 0.00 C ATOM 1011 CD2 TYR A 67 -2.187 6.086 7.962 1.00 0.00 C ATOM 1012 CE1 TYR A 67 -1.930 8.833 7.964 1.00 0.00 C ATOM 1013 CE2 TYR A 67 -3.165 6.867 8.547 1.00 0.00 C ATOM 1014 CZ TYR A 67 -3.032 8.240 8.546 1.00 0.00 C ATOM 1015 OH TYR A 67 -4.002 9.022 9.129 1.00 0.00 O ATOM 0 H TYR A 67 1.539 7.206 5.292 1.00 0.00 H new ATOM 0 HA TYR A 67 1.412 6.591 8.140 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.100 5.861 5.645 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.173 4.758 7.005 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.099 8.512 6.924 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.294 5.011 7.966 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.828 9.908 7.965 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -4.029 6.405 9.002 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.710 8.449 9.491 1.00 0.00 H new ATOM 1025 N VAL A 68 2.986 4.756 5.958 1.00 0.00 N ATOM 1026 CA VAL A 68 3.887 3.621 5.797 1.00 0.00 C ATOM 1027 C VAL A 68 5.341 4.076 5.736 1.00 0.00 C ATOM 1028 O VAL A 68 5.634 5.266 5.851 1.00 0.00 O ATOM 1029 CB VAL A 68 3.558 2.820 4.522 1.00 0.00 C ATOM 1030 CG1 VAL A 68 2.075 2.490 4.466 1.00 0.00 C ATOM 1031 CG2 VAL A 68 3.989 3.591 3.284 1.00 0.00 C ATOM 0 H VAL A 68 2.912 5.356 5.136 1.00 0.00 H new ATOM 0 HA VAL A 68 3.746 2.980 6.667 1.00 0.00 H new ATOM 0 HB VAL A 68 4.113 1.882 4.549 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.862 1.924 3.559 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.802 1.895 5.337 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.497 3.414 4.462 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.749 3.011 2.393 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.463 4.545 3.248 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.064 3.770 3.323 1.00 0.00 H new ATOM 1041 N ALA A 69 6.247 3.122 5.555 1.00 0.00 N ATOM 1042 CA ALA A 69 7.671 3.425 5.477 1.00 0.00 C ATOM 1043 C ALA A 69 8.426 2.327 4.736 1.00 0.00 C ATOM 1044 O ALA A 69 7.859 1.288 4.404 1.00 0.00 O ATOM 1045 CB ALA A 69 8.247 3.617 6.872 1.00 0.00 C ATOM 0 H ALA A 69 6.021 2.132 5.460 1.00 0.00 H new ATOM 0 HA ALA A 69 7.790 4.352 4.917 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.311 3.843 6.798 1.00 0.00 H new ATOM 0 HB2 ALA A 69 7.734 4.442 7.367 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.109 2.704 7.451 1.00 0.00 H new ATOM 1051 N GLU A 70 9.709 2.567 4.481 1.00 0.00 N ATOM 1052 CA GLU A 70 10.541 1.597 3.778 1.00 0.00 C ATOM 1053 C GLU A 70 10.956 0.461 4.708 1.00 0.00 C ATOM 1054 O GLU A 70 11.828 0.629 5.561 1.00 0.00 O ATOM 1055 CB GLU A 70 11.784 2.280 3.203 1.00 0.00 C ATOM 1056 CG GLU A 70 12.433 1.506 2.069 1.00 0.00 C ATOM 1057 CD GLU A 70 13.431 0.475 2.561 1.00 0.00 C ATOM 1058 OE1 GLU A 70 14.472 0.879 3.121 1.00 0.00 O ATOM 1059 OE2 GLU A 70 13.170 -0.733 2.387 1.00 0.00 O ATOM 0 H GLU A 70 10.194 3.423 4.750 1.00 0.00 H new ATOM 0 HA GLU A 70 9.954 1.178 2.960 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.510 3.272 2.844 1.00 0.00 H new ATOM 0 HB3 GLU A 70 12.514 2.420 4.001 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.659 1.007 1.485 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.937 2.204 1.400 1.00 0.00 H new ATOM 1066 N ASP A 71 10.325 -0.696 4.537 1.00 0.00 N ATOM 1067 CA ASP A 71 10.628 -1.861 5.360 1.00 0.00 C ATOM 1068 C ASP A 71 11.674 -2.744 4.687 1.00 0.00 C ATOM 1069 O ASP A 71 11.930 -2.619 3.490 1.00 0.00 O ATOM 1070 CB ASP A 71 9.357 -2.668 5.627 1.00 0.00 C ATOM 1071 CG ASP A 71 9.409 -3.410 6.948 1.00 0.00 C ATOM 1072 OD1 ASP A 71 9.746 -2.778 7.971 1.00 0.00 O ATOM 1073 OD2 ASP A 71 9.113 -4.624 6.960 1.00 0.00 O ATOM 0 H ASP A 71 9.601 -0.852 3.836 1.00 0.00 H new ATOM 0 HA ASP A 71 11.032 -1.509 6.309 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.497 -1.998 5.624 1.00 0.00 H new ATOM 0 HB3 ASP A 71 9.207 -3.383 4.818 1.00 0.00 H new ATOM 1078 N SER A 72 12.278 -3.637 5.466 1.00 0.00 N ATOM 1079 CA SER A 72 13.300 -4.537 4.946 1.00 0.00 C ATOM 1080 C SER A 72 12.761 -5.352 3.774 1.00 0.00 C ATOM 1081 O SER A 72 11.853 -6.167 3.935 1.00 0.00 O ATOM 1082 CB SER A 72 13.792 -5.475 6.051 1.00 0.00 C ATOM 1083 OG SER A 72 12.715 -6.192 6.629 1.00 0.00 O ATOM 0 H SER A 72 12.077 -3.756 6.459 1.00 0.00 H new ATOM 0 HA SER A 72 14.136 -3.933 4.592 1.00 0.00 H new ATOM 0 HB2 SER A 72 14.520 -6.175 5.641 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.304 -4.898 6.821 1.00 0.00 H new ATOM 0 HG SER A 72 12.028 -6.355 5.949 1.00 0.00 H new ATOM 1089 N GLY A 73 13.329 -5.126 2.593 1.00 0.00 N ATOM 1090 CA GLY A 73 12.893 -5.845 1.411 1.00 0.00 C ATOM 1091 C GLY A 73 13.955 -6.790 0.884 1.00 0.00 C ATOM 1092 O GLY A 73 14.673 -6.483 -0.068 1.00 0.00 O ATOM 0 H GLY A 73 14.083 -4.458 2.434 1.00 0.00 H new ATOM 0 HA2 GLY A 73 11.991 -6.411 1.645 1.00 0.00 H new ATOM 0 HA3 GLY A 73 12.628 -5.130 0.632 1.00 0.00 H new ATOM 1096 N PRO A 74 14.066 -7.971 1.511 1.00 0.00 N ATOM 1097 CA PRO A 74 15.046 -8.987 1.118 1.00 0.00 C ATOM 1098 C PRO A 74 14.713 -9.623 -0.228 1.00 0.00 C ATOM 1099 O PRO A 74 13.578 -10.034 -0.467 1.00 0.00 O ATOM 1100 CB PRO A 74 14.950 -10.025 2.238 1.00 0.00 C ATOM 1101 CG PRO A 74 13.574 -9.865 2.787 1.00 0.00 C ATOM 1102 CD PRO A 74 13.244 -8.404 2.653 1.00 0.00 C ATOM 0 HA PRO A 74 16.043 -8.565 0.994 1.00 0.00 H new ATOM 0 HB2 PRO A 74 15.109 -11.034 1.857 1.00 0.00 H new ATOM 0 HB3 PRO A 74 15.705 -9.851 3.005 1.00 0.00 H new ATOM 0 HG2 PRO A 74 12.860 -10.479 2.237 1.00 0.00 H new ATOM 0 HG3 PRO A 74 13.530 -10.181 3.829 1.00 0.00 H new ATOM 0 HD2 PRO A 74 12.182 -8.248 2.465 1.00 0.00 H new ATOM 0 HD3 PRO A 74 13.492 -7.851 3.559 1.00 0.00 H new ATOM 1110 N SER A 75 15.710 -9.701 -1.103 1.00 0.00 N ATOM 1111 CA SER A 75 15.522 -10.284 -2.426 1.00 0.00 C ATOM 1112 C SER A 75 15.287 -11.788 -2.329 1.00 0.00 C ATOM 1113 O SER A 75 14.292 -12.307 -2.835 1.00 0.00 O ATOM 1114 CB SER A 75 16.740 -10.003 -3.309 1.00 0.00 C ATOM 1115 OG SER A 75 16.496 -10.385 -4.652 1.00 0.00 O ATOM 0 H SER A 75 16.656 -9.368 -0.920 1.00 0.00 H new ATOM 0 HA SER A 75 14.642 -9.824 -2.876 1.00 0.00 H new ATOM 0 HB2 SER A 75 16.985 -8.942 -3.268 1.00 0.00 H new ATOM 0 HB3 SER A 75 17.604 -10.545 -2.925 1.00 0.00 H new ATOM 0 HG SER A 75 17.289 -10.194 -5.196 1.00 0.00 H new ATOM 1121 N SER A 76 16.212 -12.484 -1.674 1.00 0.00 N ATOM 1122 CA SER A 76 16.109 -13.929 -1.512 1.00 0.00 C ATOM 1123 C SER A 76 16.810 -14.385 -0.236 1.00 0.00 C ATOM 1124 O SER A 76 17.604 -13.647 0.346 1.00 0.00 O ATOM 1125 CB SER A 76 16.714 -14.644 -2.722 1.00 0.00 C ATOM 1126 OG SER A 76 18.050 -14.225 -2.946 1.00 0.00 O ATOM 0 H SER A 76 17.041 -12.070 -1.247 1.00 0.00 H new ATOM 0 HA SER A 76 15.052 -14.186 -1.437 1.00 0.00 H new ATOM 0 HB2 SER A 76 16.690 -15.722 -2.561 1.00 0.00 H new ATOM 0 HB3 SER A 76 16.112 -14.440 -3.608 1.00 0.00 H new ATOM 0 HG SER A 76 18.415 -14.697 -3.723 1.00 0.00 H new ATOM 1132 N GLY A 77 16.509 -15.606 0.194 1.00 0.00 N ATOM 1133 CA GLY A 77 17.117 -16.140 1.399 1.00 0.00 C ATOM 1134 C GLY A 77 16.184 -17.059 2.162 1.00 0.00 C ATOM 1135 O GLY A 77 15.652 -18.018 1.602 1.00 0.00 O ATOM 0 H GLY A 77 15.855 -16.236 -0.271 1.00 0.00 H new ATOM 0 HA2 GLY A 77 18.023 -16.686 1.134 1.00 0.00 H new ATOM 0 HA3 GLY A 77 17.419 -15.316 2.045 1.00 0.00 H new TER 1139 GLY A 77