USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 880 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 38 SER OG : rot 81:sc= 0.551 USER MOD Set 1.2: A 93 ASN : amide:sc= -2.52! X(o=-2!,f=-1.7) USER MOD Set 2.1: A 5 SER OG : rot -120:sc= -0.176 USER MOD Set 2.2: A 33 ASN : amide:sc= -0.268 K(o=-0.44,f=-1.3!) USER MOD Single : A 1 GLY N :NH3+ -135:sc= 0.00888 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.115 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -2.6! C(o=-2.6!,f=-4!) USER MOD Single : A 14 TYR OH : rot 73:sc= 1.24 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= 0.164 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 8:sc= 0.237 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.205 K(o=-0.21,f=-2.6!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot -149:sc= -4.47! USER MOD Single : A 65 ASN : amide:sc= -1.54! C(o=-1.5!,f=-3.5!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -130:sc= -0.498 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -4.4! C(o=-4.4!,f=-11!) USER MOD Single : A 79 LYS NZ :NH3+ -121:sc= -3.77! (180deg=-6.53!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -4.74! C(o=-4.7!,f=-3.9!) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= -0.84 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00212) USER MOD Single : A 99 SER OG : rot 180:sc= -0.911 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.0165 K(o=-0.017,f=-2.8!) USER MOD Single : A 103 SER OG : rot 34:sc= 0.624 USER MOD Single : A 111 CYS SG : rot 23:sc= 0.331 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.526 -24.425 14.562 1.00 0.00 N ATOM 2 CA GLY A 1 -10.511 -23.927 13.619 1.00 0.00 C ATOM 3 C GLY A 1 -10.068 -22.646 12.940 1.00 0.00 C ATOM 4 O GLY A 1 -8.895 -22.487 12.605 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.408 -25.450 14.432 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.616 -23.948 14.398 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.847 -24.234 15.533 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.702 -24.688 12.863 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.452 -23.752 14.140 1.00 0.00 H new ATOM 8 N SER A 2 -11.010 -21.731 12.736 1.00 0.00 N ATOM 9 CA SER A 2 -10.712 -20.459 12.087 1.00 0.00 C ATOM 10 C SER A 2 -11.822 -19.444 12.346 1.00 0.00 C ATOM 11 O SER A 2 -13.001 -19.795 12.391 1.00 0.00 O ATOM 12 CB SER A 2 -10.530 -20.661 10.582 1.00 0.00 C ATOM 13 OG SER A 2 -11.687 -21.236 10.000 1.00 0.00 O ATOM 0 H SER A 2 -11.986 -21.846 13.010 1.00 0.00 H new ATOM 0 HA SER A 2 -9.784 -20.072 12.509 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.318 -19.703 10.107 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.669 -21.305 10.400 1.00 0.00 H new ATOM 0 HG SER A 2 -11.545 -21.353 9.037 1.00 0.00 H new ATOM 19 N SER A 3 -11.435 -18.184 12.514 1.00 0.00 N ATOM 20 CA SER A 3 -12.396 -17.117 12.771 1.00 0.00 C ATOM 21 C SER A 3 -13.650 -17.299 11.921 1.00 0.00 C ATOM 22 O SER A 3 -14.770 -17.220 12.424 1.00 0.00 O ATOM 23 CB SER A 3 -11.764 -15.754 12.485 1.00 0.00 C ATOM 24 OG SER A 3 -11.482 -15.602 11.105 1.00 0.00 O ATOM 0 H SER A 3 -10.463 -17.877 12.477 1.00 0.00 H new ATOM 0 HA SER A 3 -12.682 -17.163 13.822 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.438 -14.962 12.811 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.845 -15.648 13.061 1.00 0.00 H new ATOM 0 HG SER A 3 -11.080 -14.722 10.948 1.00 0.00 H new ATOM 30 N GLY A 4 -13.451 -17.542 10.629 1.00 0.00 N ATOM 31 CA GLY A 4 -14.574 -17.730 9.729 1.00 0.00 C ATOM 32 C GLY A 4 -14.527 -16.792 8.540 1.00 0.00 C ATOM 33 O GLY A 4 -14.797 -15.599 8.671 1.00 0.00 O ATOM 0 H GLY A 4 -12.533 -17.612 10.190 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.583 -18.761 9.375 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.504 -17.573 10.275 1.00 0.00 H new ATOM 37 N SER A 5 -14.181 -17.332 7.375 1.00 0.00 N ATOM 38 CA SER A 5 -14.094 -16.534 6.158 1.00 0.00 C ATOM 39 C SER A 5 -14.003 -17.430 4.926 1.00 0.00 C ATOM 40 O SER A 5 -13.837 -18.644 5.039 1.00 0.00 O ATOM 41 CB SER A 5 -12.880 -15.605 6.218 1.00 0.00 C ATOM 42 OG SER A 5 -11.681 -16.316 5.963 1.00 0.00 O ATOM 0 H SER A 5 -13.956 -18.319 7.249 1.00 0.00 H new ATOM 0 HA SER A 5 -15.000 -15.932 6.082 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.994 -14.804 5.487 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.826 -15.135 7.200 1.00 0.00 H new ATOM 0 HG SER A 5 -11.085 -16.240 6.737 1.00 0.00 H new ATOM 48 N SER A 6 -14.113 -16.821 3.750 1.00 0.00 N ATOM 49 CA SER A 6 -14.048 -17.562 2.496 1.00 0.00 C ATOM 50 C SER A 6 -12.712 -17.330 1.797 1.00 0.00 C ATOM 51 O SER A 6 -12.661 -17.102 0.589 1.00 0.00 O ATOM 52 CB SER A 6 -15.197 -17.150 1.574 1.00 0.00 C ATOM 53 OG SER A 6 -16.434 -17.659 2.042 1.00 0.00 O ATOM 0 H SER A 6 -14.248 -15.816 3.639 1.00 0.00 H new ATOM 0 HA SER A 6 -14.139 -18.624 2.725 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.247 -16.063 1.514 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.007 -17.517 0.565 1.00 0.00 H new ATOM 0 HG SER A 6 -17.152 -17.380 1.437 1.00 0.00 H new ATOM 59 N GLY A 7 -11.629 -17.389 2.568 1.00 0.00 N ATOM 60 CA GLY A 7 -10.307 -17.183 2.006 1.00 0.00 C ATOM 61 C GLY A 7 -10.057 -15.737 1.626 1.00 0.00 C ATOM 62 O GLY A 7 -9.181 -15.443 0.812 1.00 0.00 O ATOM 0 H GLY A 7 -11.644 -17.576 3.571 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.555 -17.501 2.728 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.188 -17.813 1.124 1.00 0.00 H new ATOM 66 N LEU A 8 -10.830 -14.830 2.214 1.00 0.00 N ATOM 67 CA LEU A 8 -10.690 -13.406 1.931 1.00 0.00 C ATOM 68 C LEU A 8 -9.546 -12.801 2.739 1.00 0.00 C ATOM 69 O LEU A 8 -9.294 -13.177 3.884 1.00 0.00 O ATOM 70 CB LEU A 8 -11.995 -12.673 2.246 1.00 0.00 C ATOM 71 CG LEU A 8 -13.083 -12.750 1.175 1.00 0.00 C ATOM 72 CD1 LEU A 8 -14.463 -12.648 1.807 1.00 0.00 C ATOM 73 CD2 LEU A 8 -12.888 -11.655 0.136 1.00 0.00 C ATOM 0 H LEU A 8 -11.560 -15.056 2.890 1.00 0.00 H new ATOM 0 HA LEU A 8 -10.463 -13.291 0.871 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -12.399 -13.075 3.175 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.764 -11.623 2.426 1.00 0.00 H new ATOM 0 HG LEU A 8 -13.005 -13.715 0.675 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -15.224 -12.705 1.029 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -14.602 -13.468 2.511 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -14.553 -11.698 2.334 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -13.672 -11.725 -0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -12.938 -10.680 0.621 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -11.915 -11.774 -0.340 1.00 0.00 H new ATOM 85 N PRO A 9 -8.836 -11.839 2.130 1.00 0.00 N ATOM 86 CA PRO A 9 -7.709 -11.159 2.775 1.00 0.00 C ATOM 87 C PRO A 9 -8.156 -10.246 3.912 1.00 0.00 C ATOM 88 O PRO A 9 -9.099 -9.470 3.762 1.00 0.00 O ATOM 89 CB PRO A 9 -7.094 -10.336 1.640 1.00 0.00 C ATOM 90 CG PRO A 9 -8.215 -10.113 0.684 1.00 0.00 C ATOM 91 CD PRO A 9 -9.080 -11.340 0.766 1.00 0.00 C ATOM 0 HA PRO A 9 -7.016 -11.865 3.233 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.693 -9.391 2.008 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -6.270 -10.869 1.166 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.780 -9.219 0.947 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -7.841 -9.967 -0.329 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.132 -11.102 0.608 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.803 -12.078 0.013 1.00 0.00 H new ATOM 99 N GLN A 10 -7.473 -10.345 5.047 1.00 0.00 N ATOM 100 CA GLN A 10 -7.801 -9.528 6.210 1.00 0.00 C ATOM 101 C GLN A 10 -6.583 -8.741 6.683 1.00 0.00 C ATOM 102 O GLN A 10 -5.463 -9.251 6.683 1.00 0.00 O ATOM 103 CB GLN A 10 -8.328 -10.406 7.345 1.00 0.00 C ATOM 104 CG GLN A 10 -7.331 -11.452 7.818 1.00 0.00 C ATOM 105 CD GLN A 10 -8.004 -12.665 8.430 1.00 0.00 C ATOM 106 OE1 GLN A 10 -8.033 -13.741 7.832 1.00 0.00 O ATOM 107 NE2 GLN A 10 -8.550 -12.498 9.629 1.00 0.00 N ATOM 0 H GLN A 10 -6.689 -10.982 5.187 1.00 0.00 H new ATOM 0 HA GLN A 10 -8.577 -8.821 5.918 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -8.603 -9.771 8.187 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -9.238 -10.907 7.014 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -6.716 -11.769 6.976 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -6.661 -11.004 8.552 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -8.503 -11.589 10.089 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -9.017 -13.279 10.090 1.00 0.00 H new ATOM 116 N VAL A 11 -6.810 -7.495 7.087 1.00 0.00 N ATOM 117 CA VAL A 11 -5.731 -6.637 7.563 1.00 0.00 C ATOM 118 C VAL A 11 -6.047 -6.074 8.944 1.00 0.00 C ATOM 119 O VAL A 11 -6.761 -5.080 9.071 1.00 0.00 O ATOM 120 CB VAL A 11 -5.471 -5.471 6.592 1.00 0.00 C ATOM 121 CG1 VAL A 11 -4.409 -4.537 7.152 1.00 0.00 C ATOM 122 CG2 VAL A 11 -5.062 -5.997 5.225 1.00 0.00 C ATOM 0 H VAL A 11 -7.731 -7.057 7.094 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.836 -7.256 7.622 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.395 -4.905 6.476 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.238 -3.719 6.452 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -4.746 -4.133 8.107 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -3.480 -5.088 7.299 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.882 -5.159 4.552 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.151 -6.588 5.320 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.859 -6.622 4.822 1.00 0.00 H new ATOM 132 N GLU A 12 -5.509 -6.716 9.977 1.00 0.00 N ATOM 133 CA GLU A 12 -5.735 -6.278 11.349 1.00 0.00 C ATOM 134 C GLU A 12 -5.192 -4.868 11.567 1.00 0.00 C ATOM 135 O GLU A 12 -5.921 -3.969 11.983 1.00 0.00 O ATOM 136 CB GLU A 12 -5.075 -7.247 12.332 1.00 0.00 C ATOM 137 CG GLU A 12 -5.701 -7.231 13.716 1.00 0.00 C ATOM 138 CD GLU A 12 -7.101 -7.815 13.730 1.00 0.00 C ATOM 139 OE1 GLU A 12 -7.254 -8.997 13.360 1.00 0.00 O ATOM 140 OE2 GLU A 12 -8.042 -7.088 14.113 1.00 0.00 O ATOM 0 H GLU A 12 -4.914 -7.540 9.889 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.810 -6.266 11.527 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.134 -8.258 11.928 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.017 -6.999 12.418 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.069 -7.794 14.403 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.736 -6.205 14.083 1.00 0.00 H new ATOM 147 N ALA A 13 -3.907 -4.685 11.282 1.00 0.00 N ATOM 148 CA ALA A 13 -3.266 -3.386 11.444 1.00 0.00 C ATOM 149 C ALA A 13 -2.072 -3.242 10.508 1.00 0.00 C ATOM 150 O ALA A 13 -1.746 -4.160 9.756 1.00 0.00 O ATOM 151 CB ALA A 13 -2.834 -3.188 12.889 1.00 0.00 C ATOM 0 H ALA A 13 -3.289 -5.420 10.938 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.992 -2.615 11.184 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.357 -2.214 12.996 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.707 -3.238 13.540 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.128 -3.970 13.168 1.00 0.00 H new ATOM 157 N TYR A 14 -1.423 -2.084 10.558 1.00 0.00 N ATOM 158 CA TYR A 14 -0.265 -1.819 9.712 1.00 0.00 C ATOM 159 C TYR A 14 0.601 -0.712 10.305 1.00 0.00 C ATOM 160 O TYR A 14 0.098 0.208 10.950 1.00 0.00 O ATOM 161 CB TYR A 14 -0.716 -1.429 8.303 1.00 0.00 C ATOM 162 CG TYR A 14 -1.639 -0.232 8.272 1.00 0.00 C ATOM 163 CD1 TYR A 14 -1.155 1.049 8.504 1.00 0.00 C ATOM 164 CD2 TYR A 14 -2.996 -0.383 8.011 1.00 0.00 C ATOM 165 CE1 TYR A 14 -1.995 2.146 8.478 1.00 0.00 C ATOM 166 CE2 TYR A 14 -3.843 0.708 7.981 1.00 0.00 C ATOM 167 CZ TYR A 14 -3.338 1.970 8.215 1.00 0.00 C ATOM 168 OH TYR A 14 -4.178 3.059 8.187 1.00 0.00 O ATOM 0 H TYR A 14 -1.679 -1.314 11.176 1.00 0.00 H new ATOM 0 HA TYR A 14 0.330 -2.731 9.657 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.163 -1.215 7.695 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.221 -2.279 7.844 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.104 1.190 8.708 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.395 -1.370 7.829 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.603 3.135 8.662 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -4.895 0.573 7.775 1.00 0.00 H new ATOM 0 HH TYR A 14 -4.010 3.581 7.375 1.00 0.00 H new ATOM 178 N SER A 15 1.908 -0.808 10.081 1.00 0.00 N ATOM 179 CA SER A 15 2.847 0.182 10.595 1.00 0.00 C ATOM 180 C SER A 15 4.088 0.264 9.712 1.00 0.00 C ATOM 181 O SER A 15 4.541 -0.728 9.140 1.00 0.00 O ATOM 182 CB SER A 15 3.249 -0.162 12.030 1.00 0.00 C ATOM 183 OG SER A 15 3.650 -1.518 12.135 1.00 0.00 O ATOM 0 H SER A 15 2.340 -1.562 9.547 1.00 0.00 H new ATOM 0 HA SER A 15 2.353 1.153 10.587 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.064 0.488 12.349 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.411 0.026 12.701 1.00 0.00 H new ATOM 0 HG SER A 15 3.904 -1.713 13.061 1.00 0.00 H new ATOM 189 N PRO A 16 4.653 1.475 9.597 1.00 0.00 N ATOM 190 CA PRO A 16 4.123 2.663 10.272 1.00 0.00 C ATOM 191 C PRO A 16 2.792 3.120 9.683 1.00 0.00 C ATOM 192 O PRO A 16 2.473 2.813 8.535 1.00 0.00 O ATOM 193 CB PRO A 16 5.204 3.719 10.033 1.00 0.00 C ATOM 194 CG PRO A 16 5.893 3.281 8.787 1.00 0.00 C ATOM 195 CD PRO A 16 5.852 1.778 8.798 1.00 0.00 C ATOM 0 HA PRO A 16 3.917 2.475 11.326 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.769 4.712 9.917 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.898 3.772 10.872 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.393 3.679 7.904 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.921 3.643 8.761 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.776 1.371 7.790 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.751 1.355 9.246 1.00 0.00 H new ATOM 203 N SER A 17 2.020 3.854 10.477 1.00 0.00 N ATOM 204 CA SER A 17 0.722 4.350 10.035 1.00 0.00 C ATOM 205 C SER A 17 0.882 5.339 8.884 1.00 0.00 C ATOM 206 O SER A 17 0.005 5.459 8.029 1.00 0.00 O ATOM 207 CB SER A 17 -0.016 5.018 11.197 1.00 0.00 C ATOM 208 OG SER A 17 -1.374 5.256 10.870 1.00 0.00 O ATOM 0 H SER A 17 2.271 4.119 11.430 1.00 0.00 H new ATOM 0 HA SER A 17 0.137 3.500 9.683 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.042 4.384 12.082 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.471 5.960 11.448 1.00 0.00 H new ATOM 0 HG SER A 17 -1.824 5.682 11.630 1.00 0.00 H new ATOM 214 N ALA A 18 2.007 6.045 8.871 1.00 0.00 N ATOM 215 CA ALA A 18 2.284 7.022 7.826 1.00 0.00 C ATOM 216 C ALA A 18 3.760 7.012 7.441 1.00 0.00 C ATOM 217 O ALA A 18 4.605 6.537 8.200 1.00 0.00 O ATOM 218 CB ALA A 18 1.864 8.413 8.278 1.00 0.00 C ATOM 0 H ALA A 18 2.742 5.959 9.573 1.00 0.00 H new ATOM 0 HA ALA A 18 1.704 6.748 6.945 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.077 9.132 7.487 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.796 8.418 8.495 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.418 8.686 9.176 1.00 0.00 H new ATOM 224 N CYS A 19 4.062 7.537 6.260 1.00 0.00 N ATOM 225 CA CYS A 19 5.437 7.587 5.774 1.00 0.00 C ATOM 226 C CYS A 19 5.634 8.760 4.819 1.00 0.00 C ATOM 227 O CYS A 19 4.692 9.494 4.518 1.00 0.00 O ATOM 228 CB CYS A 19 5.800 6.277 5.073 1.00 0.00 C ATOM 229 SG CYS A 19 7.550 5.840 5.187 1.00 0.00 S ATOM 0 H CYS A 19 3.374 7.934 5.620 1.00 0.00 H new ATOM 0 HA CYS A 19 6.095 7.726 6.632 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.206 5.470 5.503 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.523 6.351 4.021 1.00 0.00 H new ATOM 0 HG CYS A 19 7.758 4.717 4.567 1.00 0.00 H new ATOM 235 N SER A 20 6.865 8.932 4.347 1.00 0.00 N ATOM 236 CA SER A 20 7.187 10.019 3.431 1.00 0.00 C ATOM 237 C SER A 20 6.620 9.745 2.041 1.00 0.00 C ATOM 238 O SER A 20 6.393 8.594 1.667 1.00 0.00 O ATOM 239 CB SER A 20 8.703 10.211 3.347 1.00 0.00 C ATOM 240 OG SER A 20 9.166 11.064 4.380 1.00 0.00 O ATOM 0 H SER A 20 7.655 8.332 4.584 1.00 0.00 H new ATOM 0 HA SER A 20 6.733 10.932 3.816 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.200 9.244 3.419 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.966 10.633 2.377 1.00 0.00 H new ATOM 0 HG SER A 20 10.137 11.170 4.306 1.00 0.00 H new ATOM 246 N VAL A 21 6.395 10.811 1.280 1.00 0.00 N ATOM 247 CA VAL A 21 5.856 10.686 -0.069 1.00 0.00 C ATOM 248 C VAL A 21 6.780 9.858 -0.956 1.00 0.00 C ATOM 249 O VAL A 21 6.358 9.326 -1.983 1.00 0.00 O ATOM 250 CB VAL A 21 5.642 12.067 -0.718 1.00 0.00 C ATOM 251 CG1 VAL A 21 4.410 12.744 -0.137 1.00 0.00 C ATOM 252 CG2 VAL A 21 6.875 12.938 -0.536 1.00 0.00 C ATOM 0 H VAL A 21 6.577 11.770 1.574 1.00 0.00 H new ATOM 0 HA VAL A 21 4.894 10.181 0.020 1.00 0.00 H new ATOM 0 HB VAL A 21 5.480 11.926 -1.787 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.274 13.718 -0.607 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.532 12.125 -0.324 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.539 12.874 0.937 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.706 13.909 -1.001 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.071 13.074 0.528 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.733 12.456 -1.004 1.00 0.00 H new ATOM 262 N ARG A 22 8.041 9.754 -0.552 1.00 0.00 N ATOM 263 CA ARG A 22 9.025 8.991 -1.310 1.00 0.00 C ATOM 264 C ARG A 22 8.916 7.501 -0.998 1.00 0.00 C ATOM 265 O ARG A 22 9.091 6.658 -1.877 1.00 0.00 O ATOM 266 CB ARG A 22 10.438 9.486 -0.996 1.00 0.00 C ATOM 267 CG ARG A 22 10.700 10.912 -1.454 1.00 0.00 C ATOM 268 CD ARG A 22 12.173 11.272 -1.341 1.00 0.00 C ATOM 269 NE ARG A 22 12.948 10.769 -2.472 1.00 0.00 N ATOM 270 CZ ARG A 22 14.273 10.668 -2.468 1.00 0.00 C ATOM 271 NH1 ARG A 22 14.965 11.033 -1.398 1.00 0.00 N ATOM 272 NH2 ARG A 22 14.907 10.200 -3.535 1.00 0.00 N ATOM 0 H ARG A 22 8.406 10.188 0.296 1.00 0.00 H new ATOM 0 HA ARG A 22 8.823 9.139 -2.371 1.00 0.00 H new ATOM 0 HB2 ARG A 22 10.606 9.422 0.079 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.160 8.822 -1.471 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.374 11.029 -2.488 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.108 11.603 -0.853 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.278 12.355 -1.283 1.00 0.00 H new ATOM 0 HD3 ARG A 22 12.576 10.863 -0.415 1.00 0.00 H new ATOM 0 HE ARG A 22 12.445 10.479 -3.311 1.00 0.00 H new ATOM 0 HH11 ARG A 22 14.481 11.392 -0.575 1.00 0.00 H new ATOM 0 HH12 ARG A 22 15.982 10.955 -1.397 1.00 0.00 H new ATOM 0 HH21 ARG A 22 14.377 9.917 -4.360 1.00 0.00 H new ATOM 0 HH22 ARG A 22 15.924 10.123 -3.531 1.00 0.00 H new ATOM 286 N GLY A 23 8.626 7.184 0.260 1.00 0.00 N ATOM 287 CA GLY A 23 8.500 5.797 0.665 1.00 0.00 C ATOM 288 C GLY A 23 9.834 5.079 0.702 1.00 0.00 C ATOM 289 O GLY A 23 10.847 5.656 1.096 1.00 0.00 O ATOM 0 H GLY A 23 8.476 7.863 1.006 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.039 5.751 1.651 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.832 5.280 -0.024 1.00 0.00 H new ATOM 293 N GLY A 24 9.836 3.815 0.290 1.00 0.00 N ATOM 294 CA GLY A 24 11.062 3.037 0.287 1.00 0.00 C ATOM 295 C GLY A 24 11.435 2.537 1.668 1.00 0.00 C ATOM 296 O GLY A 24 12.610 2.524 2.034 1.00 0.00 O ATOM 0 H GLY A 24 9.011 3.316 -0.042 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.947 2.187 -0.385 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.875 3.647 -0.107 1.00 0.00 H new ATOM 300 N GLU A 25 10.432 2.127 2.438 1.00 0.00 N ATOM 301 CA GLU A 25 10.662 1.626 3.789 1.00 0.00 C ATOM 302 C GLU A 25 10.025 0.252 3.975 1.00 0.00 C ATOM 303 O GLU A 25 9.270 -0.214 3.123 1.00 0.00 O ATOM 304 CB GLU A 25 10.100 2.605 4.822 1.00 0.00 C ATOM 305 CG GLU A 25 10.945 3.856 4.997 1.00 0.00 C ATOM 306 CD GLU A 25 12.054 3.672 6.016 1.00 0.00 C ATOM 307 OE1 GLU A 25 11.740 3.545 7.218 1.00 0.00 O ATOM 308 OE2 GLU A 25 13.235 3.656 5.611 1.00 0.00 O ATOM 0 H GLU A 25 9.453 2.132 2.150 1.00 0.00 H new ATOM 0 HA GLU A 25 11.738 1.532 3.936 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.093 2.896 4.524 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.014 2.097 5.783 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.381 4.133 4.037 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.305 4.682 5.307 1.00 0.00 H new ATOM 315 N GLU A 26 10.337 -0.391 5.096 1.00 0.00 N ATOM 316 CA GLU A 26 9.796 -1.712 5.394 1.00 0.00 C ATOM 317 C GLU A 26 8.417 -1.603 6.037 1.00 0.00 C ATOM 318 O GLU A 26 8.293 -1.256 7.213 1.00 0.00 O ATOM 319 CB GLU A 26 10.744 -2.479 6.319 1.00 0.00 C ATOM 320 CG GLU A 26 10.556 -3.986 6.268 1.00 0.00 C ATOM 321 CD GLU A 26 11.355 -4.709 7.335 1.00 0.00 C ATOM 322 OE1 GLU A 26 10.828 -4.889 8.452 1.00 0.00 O ATOM 323 OE2 GLU A 26 12.509 -5.095 7.052 1.00 0.00 O ATOM 0 H GLU A 26 10.961 -0.019 5.812 1.00 0.00 H new ATOM 0 HA GLU A 26 9.697 -2.256 4.455 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.773 -2.240 6.050 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.595 -2.137 7.343 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.499 -4.221 6.389 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.853 -4.353 5.286 1.00 0.00 H new ATOM 330 N LEU A 27 7.382 -1.902 5.260 1.00 0.00 N ATOM 331 CA LEU A 27 6.011 -1.838 5.752 1.00 0.00 C ATOM 332 C LEU A 27 5.499 -3.227 6.121 1.00 0.00 C ATOM 333 O LEU A 27 5.302 -4.078 5.253 1.00 0.00 O ATOM 334 CB LEU A 27 5.098 -1.208 4.698 1.00 0.00 C ATOM 335 CG LEU A 27 3.619 -1.101 5.069 1.00 0.00 C ATOM 336 CD1 LEU A 27 3.397 0.036 6.055 1.00 0.00 C ATOM 337 CD2 LEU A 27 2.769 -0.901 3.822 1.00 0.00 C ATOM 0 H LEU A 27 7.467 -2.191 4.286 1.00 0.00 H new ATOM 0 HA LEU A 27 6.002 -1.218 6.648 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.469 -0.208 4.476 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.181 -1.790 3.780 1.00 0.00 H new ATOM 0 HG LEU A 27 3.316 -2.033 5.546 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.338 0.097 6.308 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.976 -0.149 6.960 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.717 0.976 5.605 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.719 -0.827 4.105 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.074 0.015 3.317 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.904 -1.748 3.150 1.00 0.00 H new ATOM 349 N VAL A 28 5.282 -3.449 7.413 1.00 0.00 N ATOM 350 CA VAL A 28 4.789 -4.733 7.896 1.00 0.00 C ATOM 351 C VAL A 28 3.273 -4.715 8.057 1.00 0.00 C ATOM 352 O VAL A 28 2.735 -3.985 8.890 1.00 0.00 O ATOM 353 CB VAL A 28 5.433 -5.110 9.244 1.00 0.00 C ATOM 354 CG1 VAL A 28 4.863 -6.423 9.759 1.00 0.00 C ATOM 355 CG2 VAL A 28 6.945 -5.192 9.108 1.00 0.00 C ATOM 0 H VAL A 28 5.440 -2.756 8.144 1.00 0.00 H new ATOM 0 HA VAL A 28 5.063 -5.478 7.149 1.00 0.00 H new ATOM 0 HB VAL A 28 5.199 -4.331 9.969 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.329 -6.673 10.712 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.786 -6.323 9.897 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.064 -7.215 9.037 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.383 -5.459 10.070 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.203 -5.950 8.368 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.334 -4.226 8.788 1.00 0.00 H new ATOM 365 N LEU A 29 2.590 -5.522 7.253 1.00 0.00 N ATOM 366 CA LEU A 29 1.134 -5.600 7.306 1.00 0.00 C ATOM 367 C LEU A 29 0.682 -6.770 8.175 1.00 0.00 C ATOM 368 O LEU A 29 1.164 -7.893 8.024 1.00 0.00 O ATOM 369 CB LEU A 29 0.560 -5.747 5.895 1.00 0.00 C ATOM 370 CG LEU A 29 0.810 -4.576 4.944 1.00 0.00 C ATOM 371 CD1 LEU A 29 0.607 -5.008 3.500 1.00 0.00 C ATOM 372 CD2 LEU A 29 -0.102 -3.407 5.286 1.00 0.00 C ATOM 0 H LEU A 29 3.020 -6.131 6.557 1.00 0.00 H new ATOM 0 HA LEU A 29 0.761 -4.677 7.750 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.977 -6.649 5.447 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.516 -5.900 5.976 1.00 0.00 H new ATOM 0 HG LEU A 29 1.844 -4.251 5.063 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.789 -4.162 2.838 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.302 -5.813 3.260 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.416 -5.360 3.366 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.090 -2.583 4.599 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.143 -3.719 5.197 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.093 -3.081 6.308 1.00 0.00 H new ATOM 384 N THR A 30 -0.249 -6.500 9.085 1.00 0.00 N ATOM 385 CA THR A 30 -0.767 -7.529 9.977 1.00 0.00 C ATOM 386 C THR A 30 -2.108 -8.061 9.483 1.00 0.00 C ATOM 387 O THR A 30 -2.974 -7.294 9.064 1.00 0.00 O ATOM 388 CB THR A 30 -0.936 -6.995 11.412 1.00 0.00 C ATOM 389 OG1 THR A 30 0.280 -6.380 11.853 1.00 0.00 O ATOM 390 CG2 THR A 30 -1.318 -8.117 12.365 1.00 0.00 C ATOM 0 H THR A 30 -0.660 -5.577 9.223 1.00 0.00 H new ATOM 0 HA THR A 30 -0.038 -8.339 9.982 1.00 0.00 H new ATOM 0 HB THR A 30 -1.736 -6.255 11.409 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.163 -6.042 12.765 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.432 -7.716 13.372 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.259 -8.563 12.043 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.537 -8.877 12.363 1.00 0.00 H new ATOM 398 N GLY A 31 -2.272 -9.379 9.537 1.00 0.00 N ATOM 399 CA GLY A 31 -3.511 -9.991 9.092 1.00 0.00 C ATOM 400 C GLY A 31 -3.384 -11.490 8.909 1.00 0.00 C ATOM 401 O GLY A 31 -2.487 -12.117 9.472 1.00 0.00 O ATOM 0 H GLY A 31 -1.570 -10.034 9.881 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -4.297 -9.782 9.818 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.819 -9.538 8.150 1.00 0.00 H new ATOM 405 N SER A 32 -4.286 -12.067 8.122 1.00 0.00 N ATOM 406 CA SER A 32 -4.275 -13.503 7.871 1.00 0.00 C ATOM 407 C SER A 32 -4.848 -13.819 6.493 1.00 0.00 C ATOM 408 O SER A 32 -5.294 -12.925 5.775 1.00 0.00 O ATOM 409 CB SER A 32 -5.076 -14.237 8.949 1.00 0.00 C ATOM 410 OG SER A 32 -4.375 -14.257 10.180 1.00 0.00 O ATOM 0 H SER A 32 -5.034 -11.562 7.647 1.00 0.00 H new ATOM 0 HA SER A 32 -3.240 -13.844 7.902 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.041 -13.749 9.085 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.277 -15.258 8.625 1.00 0.00 H new ATOM 0 HG SER A 32 -3.577 -13.693 10.111 1.00 0.00 H new ATOM 416 N ASN A 33 -4.831 -15.097 6.130 1.00 0.00 N ATOM 417 CA ASN A 33 -5.348 -15.532 4.838 1.00 0.00 C ATOM 418 C ASN A 33 -4.633 -14.815 3.697 1.00 0.00 C ATOM 419 O ASN A 33 -5.267 -14.340 2.754 1.00 0.00 O ATOM 420 CB ASN A 33 -6.854 -15.274 4.754 1.00 0.00 C ATOM 421 CG ASN A 33 -7.670 -16.424 5.312 1.00 0.00 C ATOM 422 OD1 ASN A 33 -7.120 -17.395 5.833 1.00 0.00 O ATOM 423 ND2 ASN A 33 -8.989 -16.320 5.206 1.00 0.00 N ATOM 0 H ASN A 33 -4.465 -15.850 6.713 1.00 0.00 H new ATOM 0 HA ASN A 33 -5.164 -16.602 4.743 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -7.095 -14.362 5.301 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.133 -15.105 3.714 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -9.590 -17.063 5.564 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -9.402 -15.497 4.767 1.00 0.00 H new ATOM 430 N PHE A 34 -3.310 -14.739 3.789 1.00 0.00 N ATOM 431 CA PHE A 34 -2.508 -14.079 2.765 1.00 0.00 C ATOM 432 C PHE A 34 -1.937 -15.097 1.783 1.00 0.00 C ATOM 433 O PHE A 34 -1.877 -16.293 2.073 1.00 0.00 O ATOM 434 CB PHE A 34 -1.372 -13.283 3.411 1.00 0.00 C ATOM 435 CG PHE A 34 -1.844 -12.082 4.180 1.00 0.00 C ATOM 436 CD1 PHE A 34 -2.809 -11.240 3.652 1.00 0.00 C ATOM 437 CD2 PHE A 34 -1.322 -11.795 5.431 1.00 0.00 C ATOM 438 CE1 PHE A 34 -3.245 -10.134 4.357 1.00 0.00 C ATOM 439 CE2 PHE A 34 -1.754 -10.691 6.141 1.00 0.00 C ATOM 440 CZ PHE A 34 -2.716 -9.859 5.603 1.00 0.00 C ATOM 0 H PHE A 34 -2.770 -15.126 4.563 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.155 -13.394 2.217 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.815 -13.938 4.081 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -0.679 -12.958 2.635 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.226 -11.450 2.678 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.569 -12.442 5.856 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -3.998 -9.486 3.934 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.340 -10.479 7.116 1.00 0.00 H new ATOM 0 HZ PHE A 34 -3.054 -8.995 6.156 1.00 0.00 H new ATOM 450 N LEU A 35 -1.518 -14.615 0.618 1.00 0.00 N ATOM 451 CA LEU A 35 -0.951 -15.481 -0.410 1.00 0.00 C ATOM 452 C LEU A 35 0.562 -15.306 -0.496 1.00 0.00 C ATOM 453 O LEU A 35 1.111 -14.262 -0.143 1.00 0.00 O ATOM 454 CB LEU A 35 -1.589 -15.181 -1.767 1.00 0.00 C ATOM 455 CG LEU A 35 -2.932 -15.858 -2.042 1.00 0.00 C ATOM 456 CD1 LEU A 35 -3.776 -15.010 -2.981 1.00 0.00 C ATOM 457 CD2 LEU A 35 -2.720 -17.249 -2.622 1.00 0.00 C ATOM 0 H LEU A 35 -1.560 -13.629 0.362 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.163 -16.515 -0.137 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.724 -14.103 -1.852 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.889 -15.477 -2.548 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.466 -15.958 -1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.728 -15.508 -3.165 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.958 -14.036 -2.527 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.248 -14.877 -3.925 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.687 -17.716 -2.811 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.165 -17.173 -3.557 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.156 -17.856 -1.914 1.00 0.00 H new ATOM 469 N PRO A 36 1.252 -16.349 -0.979 1.00 0.00 N ATOM 470 CA PRO A 36 2.711 -16.334 -1.126 1.00 0.00 C ATOM 471 C PRO A 36 3.172 -15.391 -2.233 1.00 0.00 C ATOM 472 O PRO A 36 4.306 -14.913 -2.221 1.00 0.00 O ATOM 473 CB PRO A 36 3.047 -17.784 -1.484 1.00 0.00 C ATOM 474 CG PRO A 36 1.804 -18.317 -2.110 1.00 0.00 C ATOM 475 CD PRO A 36 0.662 -17.625 -1.419 1.00 0.00 C ATOM 0 HA PRO A 36 3.208 -15.978 -0.224 1.00 0.00 H new ATOM 0 HB2 PRO A 36 3.891 -17.837 -2.172 1.00 0.00 H new ATOM 0 HB3 PRO A 36 3.322 -18.357 -0.598 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.790 -18.117 -3.181 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.737 -19.398 -1.986 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -0.180 -17.467 -2.094 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.290 -18.208 -0.576 1.00 0.00 H new ATOM 483 N ASP A 37 2.286 -15.129 -3.187 1.00 0.00 N ATOM 484 CA ASP A 37 2.601 -14.242 -4.301 1.00 0.00 C ATOM 485 C ASP A 37 1.604 -13.090 -4.378 1.00 0.00 C ATOM 486 O ASP A 37 1.364 -12.535 -5.450 1.00 0.00 O ATOM 487 CB ASP A 37 2.602 -15.022 -5.617 1.00 0.00 C ATOM 488 CG ASP A 37 3.282 -14.263 -6.739 1.00 0.00 C ATOM 489 OD1 ASP A 37 4.144 -13.409 -6.441 1.00 0.00 O ATOM 490 OD2 ASP A 37 2.954 -14.523 -7.915 1.00 0.00 O ATOM 0 H ASP A 37 1.344 -15.518 -3.212 1.00 0.00 H new ATOM 0 HA ASP A 37 3.595 -13.827 -4.133 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.107 -15.977 -5.470 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.575 -15.246 -5.904 1.00 0.00 H new ATOM 495 N SER A 38 1.026 -12.738 -3.234 1.00 0.00 N ATOM 496 CA SER A 38 0.051 -11.655 -3.173 1.00 0.00 C ATOM 497 C SER A 38 0.525 -10.451 -3.981 1.00 0.00 C ATOM 498 O SER A 38 1.697 -10.353 -4.343 1.00 0.00 O ATOM 499 CB SER A 38 -0.195 -11.244 -1.720 1.00 0.00 C ATOM 500 OG SER A 38 -0.674 -12.336 -0.955 1.00 0.00 O ATOM 0 H SER A 38 1.216 -13.186 -2.338 1.00 0.00 H new ATOM 0 HA SER A 38 -0.883 -12.015 -3.605 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.730 -10.868 -1.283 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.917 -10.428 -1.687 1.00 0.00 H new ATOM 0 HG SER A 38 0.079 -12.903 -0.687 1.00 0.00 H new ATOM 506 N LYS A 39 -0.397 -9.536 -4.262 1.00 0.00 N ATOM 507 CA LYS A 39 -0.076 -8.336 -5.027 1.00 0.00 C ATOM 508 C LYS A 39 -0.612 -7.088 -4.332 1.00 0.00 C ATOM 509 O LYS A 39 -1.806 -6.989 -4.047 1.00 0.00 O ATOM 510 CB LYS A 39 -0.657 -8.436 -6.439 1.00 0.00 C ATOM 511 CG LYS A 39 0.088 -9.409 -7.336 1.00 0.00 C ATOM 512 CD LYS A 39 -0.093 -9.064 -8.805 1.00 0.00 C ATOM 513 CE LYS A 39 -1.315 -9.753 -9.393 1.00 0.00 C ATOM 514 NZ LYS A 39 -1.305 -9.721 -10.882 1.00 0.00 N ATOM 0 H LYS A 39 -1.373 -9.602 -3.972 1.00 0.00 H new ATOM 0 HA LYS A 39 1.009 -8.256 -5.092 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.701 -8.743 -6.372 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.644 -7.448 -6.899 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.149 -9.396 -7.086 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.270 -10.422 -7.152 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.194 -7.984 -8.917 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.796 -9.360 -9.362 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.348 -10.788 -9.052 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.219 -9.267 -9.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.154 -10.200 -11.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.299 -8.733 -11.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.456 -10.207 -11.234 1.00 0.00 H new ATOM 528 N VAL A 40 0.277 -6.138 -4.063 1.00 0.00 N ATOM 529 CA VAL A 40 -0.107 -4.896 -3.403 1.00 0.00 C ATOM 530 C VAL A 40 0.052 -3.704 -4.341 1.00 0.00 C ATOM 531 O VAL A 40 1.127 -3.477 -4.897 1.00 0.00 O ATOM 532 CB VAL A 40 0.730 -4.652 -2.134 1.00 0.00 C ATOM 533 CG1 VAL A 40 0.392 -3.300 -1.523 1.00 0.00 C ATOM 534 CG2 VAL A 40 0.509 -5.771 -1.127 1.00 0.00 C ATOM 0 H VAL A 40 1.269 -6.205 -4.292 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.155 -4.997 -3.123 1.00 0.00 H new ATOM 0 HB VAL A 40 1.784 -4.646 -2.411 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.993 -3.145 -0.627 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.606 -2.511 -2.244 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.665 -3.274 -1.259 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.108 -5.582 -0.236 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.545 -5.811 -0.853 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.806 -6.722 -1.569 1.00 0.00 H new ATOM 544 N VAL A 41 -1.025 -2.944 -4.512 1.00 0.00 N ATOM 545 CA VAL A 41 -1.004 -1.774 -5.381 1.00 0.00 C ATOM 546 C VAL A 41 -1.667 -0.577 -4.707 1.00 0.00 C ATOM 547 O VAL A 41 -2.554 -0.736 -3.869 1.00 0.00 O ATOM 548 CB VAL A 41 -1.716 -2.055 -6.718 1.00 0.00 C ATOM 549 CG1 VAL A 41 -1.389 -3.455 -7.213 1.00 0.00 C ATOM 550 CG2 VAL A 41 -3.219 -1.870 -6.570 1.00 0.00 C ATOM 0 H VAL A 41 -1.923 -3.118 -4.060 1.00 0.00 H new ATOM 0 HA VAL A 41 0.043 -1.544 -5.577 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.356 -1.341 -7.459 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.901 -3.635 -8.158 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.313 -3.547 -7.360 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.719 -4.188 -6.476 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.706 -2.072 -7.524 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.598 -2.559 -5.815 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.431 -0.845 -6.265 1.00 0.00 H new ATOM 560 N PHE A 42 -1.229 0.621 -5.079 1.00 0.00 N ATOM 561 CA PHE A 42 -1.779 1.846 -4.511 1.00 0.00 C ATOM 562 C PHE A 42 -2.672 2.562 -5.520 1.00 0.00 C ATOM 563 O PHE A 42 -2.706 2.203 -6.698 1.00 0.00 O ATOM 564 CB PHE A 42 -0.651 2.777 -4.062 1.00 0.00 C ATOM 565 CG PHE A 42 -0.006 2.358 -2.771 1.00 0.00 C ATOM 566 CD1 PHE A 42 0.708 1.174 -2.690 1.00 0.00 C ATOM 567 CD2 PHE A 42 -0.115 3.150 -1.639 1.00 0.00 C ATOM 568 CE1 PHE A 42 1.301 0.786 -1.504 1.00 0.00 C ATOM 569 CE2 PHE A 42 0.477 2.768 -0.449 1.00 0.00 C ATOM 570 CZ PHE A 42 1.186 1.585 -0.382 1.00 0.00 C ATOM 0 H PHE A 42 -0.495 0.770 -5.771 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.384 1.575 -3.646 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.109 2.817 -4.842 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.047 3.787 -3.950 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.802 0.547 -3.564 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.669 4.076 -1.687 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.854 -0.140 -1.454 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.385 3.394 0.426 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.650 1.284 0.546 1.00 0.00 H new ATOM 580 N ILE A 43 -3.394 3.574 -5.050 1.00 0.00 N ATOM 581 CA ILE A 43 -4.287 4.339 -5.911 1.00 0.00 C ATOM 582 C ILE A 43 -4.312 5.810 -5.507 1.00 0.00 C ATOM 583 O ILE A 43 -3.967 6.159 -4.379 1.00 0.00 O ATOM 584 CB ILE A 43 -5.722 3.783 -5.871 1.00 0.00 C ATOM 585 CG1 ILE A 43 -6.270 3.827 -4.443 1.00 0.00 C ATOM 586 CG2 ILE A 43 -5.754 2.362 -6.413 1.00 0.00 C ATOM 587 CD1 ILE A 43 -7.778 3.922 -4.377 1.00 0.00 C ATOM 0 H ILE A 43 -3.378 3.883 -4.078 1.00 0.00 H new ATOM 0 HA ILE A 43 -3.900 4.249 -6.926 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.355 4.406 -6.502 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.947 2.932 -3.911 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.837 4.681 -3.923 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -6.775 1.982 -6.378 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.400 2.358 -7.444 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.110 1.726 -5.806 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.096 3.949 -3.335 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.108 4.831 -4.880 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.219 3.055 -4.868 1.00 0.00 H new ATOM 599 N GLU A 44 -4.724 6.666 -6.437 1.00 0.00 N ATOM 600 CA GLU A 44 -4.796 8.099 -6.177 1.00 0.00 C ATOM 601 C GLU A 44 -6.039 8.707 -6.819 1.00 0.00 C ATOM 602 O GLU A 44 -6.243 8.599 -8.028 1.00 0.00 O ATOM 603 CB GLU A 44 -3.541 8.799 -6.705 1.00 0.00 C ATOM 604 CG GLU A 44 -3.613 10.315 -6.631 1.00 0.00 C ATOM 605 CD GLU A 44 -2.780 10.991 -7.702 1.00 0.00 C ATOM 606 OE1 GLU A 44 -1.539 10.869 -7.653 1.00 0.00 O ATOM 607 OE2 GLU A 44 -3.370 11.643 -8.589 1.00 0.00 O ATOM 0 H GLU A 44 -5.013 6.392 -7.376 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.858 8.244 -5.098 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.677 8.456 -6.135 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.378 8.502 -7.741 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.651 10.631 -6.730 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.272 10.644 -5.649 1.00 0.00 H new ATOM 614 N ARG A 45 -6.868 9.347 -6.000 1.00 0.00 N ATOM 615 CA ARG A 45 -8.092 9.971 -6.487 1.00 0.00 C ATOM 616 C ARG A 45 -7.816 11.379 -7.005 1.00 0.00 C ATOM 617 O ARG A 45 -7.088 12.150 -6.380 1.00 0.00 O ATOM 618 CB ARG A 45 -9.141 10.022 -5.374 1.00 0.00 C ATOM 619 CG ARG A 45 -9.544 8.652 -4.854 1.00 0.00 C ATOM 620 CD ARG A 45 -10.352 8.759 -3.570 1.00 0.00 C ATOM 621 NE ARG A 45 -11.785 8.854 -3.831 1.00 0.00 N ATOM 622 CZ ARG A 45 -12.667 9.298 -2.942 1.00 0.00 C ATOM 623 NH1 ARG A 45 -12.263 9.685 -1.740 1.00 0.00 N ATOM 624 NH2 ARG A 45 -13.955 9.355 -3.254 1.00 0.00 N ATOM 0 H ARG A 45 -6.714 9.447 -4.997 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.474 9.368 -7.311 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.752 10.615 -4.547 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.028 10.536 -5.745 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.130 8.132 -5.612 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.651 8.053 -4.675 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.155 7.889 -2.944 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -10.027 9.635 -3.009 1.00 0.00 H new ATOM 0 HE ARG A 45 -12.128 8.563 -4.747 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -11.273 9.642 -1.496 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -12.942 10.026 -1.059 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -14.270 9.058 -4.178 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -14.631 9.696 -2.570 1.00 0.00 H new ATOM 638 N GLY A 46 -8.403 11.709 -8.152 1.00 0.00 N ATOM 639 CA GLY A 46 -8.207 13.023 -8.735 1.00 0.00 C ATOM 640 C GLY A 46 -9.434 13.903 -8.605 1.00 0.00 C ATOM 641 O GLY A 46 -10.532 13.434 -8.303 1.00 0.00 O ATOM 0 H GLY A 46 -9.011 11.089 -8.688 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -7.361 13.510 -8.250 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -7.951 12.915 -9.789 1.00 0.00 H new ATOM 645 N PRO A 47 -9.255 15.212 -8.836 1.00 0.00 N ATOM 646 CA PRO A 47 -10.346 16.188 -8.749 1.00 0.00 C ATOM 647 C PRO A 47 -11.359 16.027 -9.877 1.00 0.00 C ATOM 648 O PRO A 47 -12.341 16.766 -9.951 1.00 0.00 O ATOM 649 CB PRO A 47 -9.627 17.535 -8.862 1.00 0.00 C ATOM 650 CG PRO A 47 -8.373 17.233 -9.607 1.00 0.00 C ATOM 651 CD PRO A 47 -7.975 15.841 -9.201 1.00 0.00 C ATOM 0 HA PRO A 47 -10.923 16.074 -7.831 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -10.237 18.266 -9.393 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -9.412 17.953 -7.879 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -8.534 17.295 -10.683 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.590 17.950 -9.360 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -7.484 15.310 -10.016 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -7.279 15.851 -8.362 1.00 0.00 H new ATOM 659 N ASP A 48 -11.114 15.059 -10.752 1.00 0.00 N ATOM 660 CA ASP A 48 -12.006 14.801 -11.877 1.00 0.00 C ATOM 661 C ASP A 48 -13.169 13.908 -11.454 1.00 0.00 C ATOM 662 O ASP A 48 -14.304 14.104 -11.887 1.00 0.00 O ATOM 663 CB ASP A 48 -11.237 14.147 -13.026 1.00 0.00 C ATOM 664 CG ASP A 48 -11.823 14.488 -14.382 1.00 0.00 C ATOM 665 OD1 ASP A 48 -11.752 15.670 -14.780 1.00 0.00 O ATOM 666 OD2 ASP A 48 -12.352 13.572 -15.046 1.00 0.00 O ATOM 0 H ASP A 48 -10.305 14.439 -10.705 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.408 15.756 -12.216 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.196 14.468 -12.992 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.241 13.065 -12.893 1.00 0.00 H new ATOM 671 N GLY A 49 -12.877 12.927 -10.606 1.00 0.00 N ATOM 672 CA GLY A 49 -13.908 12.018 -10.140 1.00 0.00 C ATOM 673 C GLY A 49 -13.466 10.569 -10.181 1.00 0.00 C ATOM 674 O GLY A 49 -14.017 9.723 -9.477 1.00 0.00 O ATOM 0 H GLY A 49 -11.945 12.745 -10.233 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -14.185 12.281 -9.119 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -14.800 12.140 -10.754 1.00 0.00 H new ATOM 678 N LYS A 50 -12.469 10.280 -11.011 1.00 0.00 N ATOM 679 CA LYS A 50 -11.952 8.923 -11.143 1.00 0.00 C ATOM 680 C LYS A 50 -10.497 8.848 -10.689 1.00 0.00 C ATOM 681 O LYS A 50 -9.738 9.805 -10.845 1.00 0.00 O ATOM 682 CB LYS A 50 -12.069 8.449 -12.593 1.00 0.00 C ATOM 683 CG LYS A 50 -11.465 9.414 -13.599 1.00 0.00 C ATOM 684 CD LYS A 50 -11.801 9.014 -15.026 1.00 0.00 C ATOM 685 CE LYS A 50 -13.242 9.351 -15.376 1.00 0.00 C ATOM 686 NZ LYS A 50 -13.593 8.921 -16.757 1.00 0.00 N ATOM 0 H LYS A 50 -12.003 10.968 -11.603 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.548 8.271 -10.505 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.578 7.481 -12.691 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -13.121 8.298 -12.833 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.835 10.421 -13.406 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -10.383 9.442 -13.473 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.129 9.525 -15.716 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.635 7.944 -15.153 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.911 8.867 -14.664 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.397 10.426 -15.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.583 9.169 -16.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.972 9.402 -17.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.470 7.892 -16.842 1.00 0.00 H new ATOM 700 N LEU A 51 -10.115 7.706 -10.129 1.00 0.00 N ATOM 701 CA LEU A 51 -8.751 7.505 -9.654 1.00 0.00 C ATOM 702 C LEU A 51 -7.928 6.724 -10.674 1.00 0.00 C ATOM 703 O LEU A 51 -8.419 5.775 -11.284 1.00 0.00 O ATOM 704 CB LEU A 51 -8.759 6.766 -8.315 1.00 0.00 C ATOM 705 CG LEU A 51 -9.669 5.540 -8.231 1.00 0.00 C ATOM 706 CD1 LEU A 51 -9.191 4.454 -9.182 1.00 0.00 C ATOM 707 CD2 LEU A 51 -9.726 5.015 -6.804 1.00 0.00 C ATOM 0 H LEU A 51 -10.731 6.905 -9.993 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.293 8.485 -9.518 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.740 6.453 -8.089 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.057 7.469 -7.537 1.00 0.00 H new ATOM 0 HG LEU A 51 -10.675 5.837 -8.528 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.851 3.590 -9.108 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.203 4.834 -10.204 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.176 4.159 -8.917 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -10.378 4.143 -6.763 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.724 4.735 -6.479 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -10.117 5.791 -6.146 1.00 0.00 H new ATOM 719 N GLN A 52 -6.675 7.130 -10.851 1.00 0.00 N ATOM 720 CA GLN A 52 -5.784 6.466 -11.796 1.00 0.00 C ATOM 721 C GLN A 52 -4.328 6.610 -11.365 1.00 0.00 C ATOM 722 O GLN A 52 -3.735 7.681 -11.498 1.00 0.00 O ATOM 723 CB GLN A 52 -5.973 7.045 -13.199 1.00 0.00 C ATOM 724 CG GLN A 52 -7.386 6.889 -13.737 1.00 0.00 C ATOM 725 CD GLN A 52 -7.464 7.082 -15.239 1.00 0.00 C ATOM 726 OE1 GLN A 52 -7.420 6.118 -16.003 1.00 0.00 O ATOM 727 NE2 GLN A 52 -7.581 8.333 -15.669 1.00 0.00 N ATOM 0 H GLN A 52 -6.254 7.914 -10.353 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.036 5.406 -11.811 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.714 8.104 -13.184 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.277 6.556 -13.881 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -7.760 5.897 -13.482 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -8.039 7.612 -13.247 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -7.614 9.102 -14.999 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.638 8.525 -16.669 1.00 0.00 H new ATOM 736 N TRP A 53 -3.760 5.527 -10.849 1.00 0.00 N ATOM 737 CA TRP A 53 -2.373 5.533 -10.398 1.00 0.00 C ATOM 738 C TRP A 53 -1.760 4.141 -10.500 1.00 0.00 C ATOM 739 O TRP A 53 -2.112 3.242 -9.737 1.00 0.00 O ATOM 740 CB TRP A 53 -2.286 6.037 -8.956 1.00 0.00 C ATOM 741 CG TRP A 53 -0.886 6.347 -8.518 1.00 0.00 C ATOM 742 CD1 TRP A 53 0.149 6.754 -9.310 1.00 0.00 C ATOM 743 CD2 TRP A 53 -0.369 6.272 -7.185 1.00 0.00 C ATOM 744 NE1 TRP A 53 1.279 6.937 -8.550 1.00 0.00 N ATOM 745 CE2 TRP A 53 0.987 6.649 -7.243 1.00 0.00 C ATOM 746 CE3 TRP A 53 -0.920 5.926 -5.949 1.00 0.00 C ATOM 747 CZ2 TRP A 53 1.797 6.687 -6.111 1.00 0.00 C ATOM 748 CZ3 TRP A 53 -0.114 5.964 -4.826 1.00 0.00 C ATOM 749 CH2 TRP A 53 1.232 6.343 -4.913 1.00 0.00 C ATOM 0 H TRP A 53 -4.238 4.633 -10.732 1.00 0.00 H new ATOM 0 HA TRP A 53 -1.810 6.205 -11.046 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -2.898 6.934 -8.855 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -2.709 5.285 -8.290 1.00 0.00 H new ATOM 0 HD1 TRP A 53 0.088 6.909 -10.377 1.00 0.00 H new ATOM 0 HE1 TRP A 53 2.188 7.238 -8.902 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -1.957 5.634 -5.872 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 2.835 6.978 -6.176 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.529 5.697 -3.865 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.835 6.364 -4.017 1.00 0.00 H new ATOM 760 N GLU A 54 -0.843 3.970 -11.447 1.00 0.00 N ATOM 761 CA GLU A 54 -0.183 2.686 -11.648 1.00 0.00 C ATOM 762 C GLU A 54 1.164 2.648 -10.932 1.00 0.00 C ATOM 763 O GLU A 54 2.150 3.202 -11.416 1.00 0.00 O ATOM 764 CB GLU A 54 0.012 2.416 -13.141 1.00 0.00 C ATOM 765 CG GLU A 54 0.693 1.089 -13.436 1.00 0.00 C ATOM 766 CD GLU A 54 0.700 0.753 -14.915 1.00 0.00 C ATOM 767 OE1 GLU A 54 -0.386 0.477 -15.466 1.00 0.00 O ATOM 768 OE2 GLU A 54 1.792 0.767 -15.520 1.00 0.00 O ATOM 0 H GLU A 54 -0.541 4.705 -12.087 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.820 1.909 -11.226 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.960 2.434 -13.635 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.604 3.223 -13.573 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.719 1.122 -13.070 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.185 0.295 -12.889 1.00 0.00 H new ATOM 775 N GLU A 55 1.196 1.991 -9.777 1.00 0.00 N ATOM 776 CA GLU A 55 2.422 1.883 -8.994 1.00 0.00 C ATOM 777 C GLU A 55 2.477 0.551 -8.252 1.00 0.00 C ATOM 778 O GLU A 55 1.542 0.186 -7.541 1.00 0.00 O ATOM 779 CB GLU A 55 2.520 3.039 -7.997 1.00 0.00 C ATOM 780 CG GLU A 55 2.970 4.348 -8.625 1.00 0.00 C ATOM 781 CD GLU A 55 4.245 4.200 -9.432 1.00 0.00 C ATOM 782 OE1 GLU A 55 5.088 3.358 -9.061 1.00 0.00 O ATOM 783 OE2 GLU A 55 4.398 4.926 -10.437 1.00 0.00 O ATOM 0 H GLU A 55 0.388 1.526 -9.363 1.00 0.00 H new ATOM 0 HA GLU A 55 3.267 1.932 -9.680 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.547 3.186 -7.528 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.218 2.767 -7.205 1.00 0.00 H new ATOM 0 HG2 GLU A 55 2.178 4.728 -9.270 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.125 5.089 -7.840 1.00 0.00 H new ATOM 790 N GLU A 56 3.580 -0.171 -8.425 1.00 0.00 N ATOM 791 CA GLU A 56 3.757 -1.463 -7.772 1.00 0.00 C ATOM 792 C GLU A 56 4.820 -1.381 -6.681 1.00 0.00 C ATOM 793 O GLU A 56 5.773 -0.609 -6.785 1.00 0.00 O ATOM 794 CB GLU A 56 4.146 -2.529 -8.799 1.00 0.00 C ATOM 795 CG GLU A 56 3.702 -3.931 -8.419 1.00 0.00 C ATOM 796 CD GLU A 56 4.143 -4.976 -9.425 1.00 0.00 C ATOM 797 OE1 GLU A 56 5.299 -5.440 -9.328 1.00 0.00 O ATOM 798 OE2 GLU A 56 3.335 -5.329 -10.308 1.00 0.00 O ATOM 0 H GLU A 56 4.364 0.117 -9.011 1.00 0.00 H new ATOM 0 HA GLU A 56 2.809 -1.741 -7.311 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.711 -2.268 -9.764 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.229 -2.522 -8.925 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.106 -4.183 -7.439 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.616 -3.953 -8.331 1.00 0.00 H new ATOM 805 N ALA A 57 4.649 -2.181 -5.634 1.00 0.00 N ATOM 806 CA ALA A 57 5.593 -2.201 -4.524 1.00 0.00 C ATOM 807 C ALA A 57 6.244 -3.572 -4.381 1.00 0.00 C ATOM 808 O ALA A 57 5.565 -4.600 -4.409 1.00 0.00 O ATOM 809 CB ALA A 57 4.895 -1.808 -3.231 1.00 0.00 C ATOM 0 H ALA A 57 3.864 -2.825 -5.531 1.00 0.00 H new ATOM 0 HA ALA A 57 6.379 -1.476 -4.735 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.612 -1.827 -2.410 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.484 -0.803 -3.330 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.088 -2.511 -3.025 1.00 0.00 H new ATOM 815 N THR A 58 7.564 -3.583 -4.228 1.00 0.00 N ATOM 816 CA THR A 58 8.307 -4.828 -4.082 1.00 0.00 C ATOM 817 C THR A 58 7.835 -5.611 -2.862 1.00 0.00 C ATOM 818 O THR A 58 7.611 -5.040 -1.794 1.00 0.00 O ATOM 819 CB THR A 58 9.820 -4.569 -3.957 1.00 0.00 C ATOM 820 OG1 THR A 58 10.251 -3.674 -4.989 1.00 0.00 O ATOM 821 CG2 THR A 58 10.602 -5.871 -4.049 1.00 0.00 C ATOM 0 H THR A 58 8.141 -2.742 -4.202 1.00 0.00 H new ATOM 0 HA THR A 58 8.119 -5.414 -4.982 1.00 0.00 H new ATOM 0 HB THR A 58 10.009 -4.118 -2.983 1.00 0.00 H new ATOM 0 HG1 THR A 58 11.214 -3.513 -4.901 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.668 -5.662 -3.958 1.00 0.00 H new ATOM 0 HG22 THR A 58 10.293 -6.539 -3.245 1.00 0.00 H new ATOM 0 HG23 THR A 58 10.406 -6.346 -5.010 1.00 0.00 H new ATOM 829 N VAL A 59 7.685 -6.921 -3.027 1.00 0.00 N ATOM 830 CA VAL A 59 7.240 -7.783 -1.938 1.00 0.00 C ATOM 831 C VAL A 59 8.358 -8.714 -1.483 1.00 0.00 C ATOM 832 O VAL A 59 8.988 -9.389 -2.297 1.00 0.00 O ATOM 833 CB VAL A 59 6.020 -8.627 -2.352 1.00 0.00 C ATOM 834 CG1 VAL A 59 5.525 -9.461 -1.181 1.00 0.00 C ATOM 835 CG2 VAL A 59 4.912 -7.733 -2.887 1.00 0.00 C ATOM 0 H VAL A 59 7.865 -7.409 -3.904 1.00 0.00 H new ATOM 0 HA VAL A 59 6.956 -7.130 -1.113 1.00 0.00 H new ATOM 0 HB VAL A 59 6.323 -9.307 -3.148 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.663 -10.050 -1.493 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.320 -10.129 -0.848 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.237 -8.803 -0.361 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.058 -8.345 -3.175 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.609 -7.027 -2.114 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.275 -7.185 -3.756 1.00 0.00 H new ATOM 845 N ASN A 60 8.599 -8.747 -0.176 1.00 0.00 N ATOM 846 CA ASN A 60 9.641 -9.596 0.388 1.00 0.00 C ATOM 847 C ASN A 60 9.051 -10.894 0.930 1.00 0.00 C ATOM 848 O ASN A 60 8.323 -10.890 1.923 1.00 0.00 O ATOM 849 CB ASN A 60 10.384 -8.856 1.502 1.00 0.00 C ATOM 850 CG ASN A 60 11.810 -9.342 1.669 1.00 0.00 C ATOM 851 OD1 ASN A 60 12.377 -9.959 0.767 1.00 0.00 O ATOM 852 ND2 ASN A 60 12.398 -9.067 2.828 1.00 0.00 N ATOM 0 H ASN A 60 8.086 -8.195 0.512 1.00 0.00 H new ATOM 0 HA ASN A 60 10.345 -9.842 -0.407 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.390 -7.788 1.283 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.847 -8.986 2.441 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.357 -9.370 2.998 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.890 -8.553 3.548 1.00 0.00 H new ATOM 859 N ARG A 61 9.371 -12.004 0.272 1.00 0.00 N ATOM 860 CA ARG A 61 8.873 -13.309 0.687 1.00 0.00 C ATOM 861 C ARG A 61 9.580 -13.784 1.954 1.00 0.00 C ATOM 862 O ARG A 61 8.957 -14.362 2.845 1.00 0.00 O ATOM 863 CB ARG A 61 9.068 -14.333 -0.432 1.00 0.00 C ATOM 864 CG ARG A 61 8.432 -13.923 -1.751 1.00 0.00 C ATOM 865 CD ARG A 61 6.934 -14.181 -1.751 1.00 0.00 C ATOM 866 NE ARG A 61 6.624 -15.608 -1.731 1.00 0.00 N ATOM 867 CZ ARG A 61 6.429 -16.302 -0.616 1.00 0.00 C ATOM 868 NH1 ARG A 61 6.510 -15.704 0.564 1.00 0.00 N ATOM 869 NH2 ARG A 61 6.151 -17.598 -0.680 1.00 0.00 N ATOM 0 H ARG A 61 9.973 -12.025 -0.551 1.00 0.00 H new ATOM 0 HA ARG A 61 7.808 -13.212 0.900 1.00 0.00 H new ATOM 0 HB2 ARG A 61 10.135 -14.491 -0.587 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.647 -15.288 -0.117 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.620 -12.865 -1.933 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.897 -14.475 -2.568 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.483 -13.700 -0.883 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.488 -13.726 -2.635 1.00 0.00 H new ATOM 0 HE ARG A 61 6.553 -16.098 -2.623 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.723 -14.708 0.617 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.360 -16.240 1.419 1.00 0.00 H new ATOM 0 HH21 ARG A 61 6.087 -18.062 -1.586 1.00 0.00 H new ATOM 0 HH22 ARG A 61 6.001 -18.130 0.177 1.00 0.00 H new ATOM 883 N LEU A 62 10.883 -13.535 2.026 1.00 0.00 N ATOM 884 CA LEU A 62 11.675 -13.937 3.183 1.00 0.00 C ATOM 885 C LEU A 62 11.002 -13.503 4.481 1.00 0.00 C ATOM 886 O LEU A 62 10.973 -14.253 5.456 1.00 0.00 O ATOM 887 CB LEU A 62 13.079 -13.336 3.098 1.00 0.00 C ATOM 888 CG LEU A 62 13.977 -13.884 1.988 1.00 0.00 C ATOM 889 CD1 LEU A 62 13.805 -13.074 0.712 1.00 0.00 C ATOM 890 CD2 LEU A 62 15.433 -13.882 2.431 1.00 0.00 C ATOM 0 H LEU A 62 11.413 -13.057 1.297 1.00 0.00 H new ATOM 0 HA LEU A 62 11.751 -15.024 3.180 1.00 0.00 H new ATOM 0 HB2 LEU A 62 12.984 -12.259 2.962 1.00 0.00 H new ATOM 0 HB3 LEU A 62 13.579 -13.494 4.054 1.00 0.00 H new ATOM 0 HG LEU A 62 13.681 -14.913 1.783 1.00 0.00 H new ATOM 0 HD11 LEU A 62 14.452 -13.479 -0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.767 -13.127 0.385 1.00 0.00 H new ATOM 0 HD13 LEU A 62 14.073 -12.035 0.902 1.00 0.00 H new ATOM 0 HD21 LEU A 62 16.058 -14.275 1.629 1.00 0.00 H new ATOM 0 HD22 LEU A 62 15.741 -12.863 2.665 1.00 0.00 H new ATOM 0 HD23 LEU A 62 15.545 -14.507 3.317 1.00 0.00 H new ATOM 902 N GLN A 63 10.461 -12.289 4.484 1.00 0.00 N ATOM 903 CA GLN A 63 9.787 -11.757 5.663 1.00 0.00 C ATOM 904 C GLN A 63 8.285 -12.008 5.590 1.00 0.00 C ATOM 905 O GLN A 63 7.657 -12.367 6.587 1.00 0.00 O ATOM 906 CB GLN A 63 10.059 -10.257 5.798 1.00 0.00 C ATOM 907 CG GLN A 63 11.450 -9.936 6.320 1.00 0.00 C ATOM 908 CD GLN A 63 11.525 -9.960 7.834 1.00 0.00 C ATOM 909 OE1 GLN A 63 10.972 -9.091 8.509 1.00 0.00 O ATOM 910 NE2 GLN A 63 12.210 -10.959 8.378 1.00 0.00 N ATOM 0 H GLN A 63 10.476 -11.656 3.684 1.00 0.00 H new ATOM 0 HA GLN A 63 10.181 -12.271 6.539 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.927 -9.783 4.825 1.00 0.00 H new ATOM 0 HB3 GLN A 63 9.319 -9.821 6.469 1.00 0.00 H new ATOM 0 HG2 GLN A 63 12.161 -10.655 5.913 1.00 0.00 H new ATOM 0 HG3 GLN A 63 11.751 -8.952 5.961 1.00 0.00 H new ATOM 0 HE21 GLN A 63 12.653 -11.658 7.782 1.00 0.00 H new ATOM 0 HE22 GLN A 63 12.293 -11.027 9.392 1.00 0.00 H new ATOM 919 N SER A 64 7.714 -11.818 4.405 1.00 0.00 N ATOM 920 CA SER A 64 6.284 -12.021 4.204 1.00 0.00 C ATOM 921 C SER A 64 5.884 -13.452 4.551 1.00 0.00 C ATOM 922 O SER A 64 6.523 -14.409 4.116 1.00 0.00 O ATOM 923 CB SER A 64 5.902 -11.709 2.756 1.00 0.00 C ATOM 924 OG SER A 64 4.502 -11.814 2.563 1.00 0.00 O ATOM 0 H SER A 64 8.220 -11.524 3.569 1.00 0.00 H new ATOM 0 HA SER A 64 5.749 -11.342 4.868 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.233 -10.703 2.498 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.417 -12.396 2.085 1.00 0.00 H new ATOM 0 HG SER A 64 4.319 -12.100 1.644 1.00 0.00 H new ATOM 930 N ASN A 65 4.821 -13.588 5.338 1.00 0.00 N ATOM 931 CA ASN A 65 4.335 -14.901 5.745 1.00 0.00 C ATOM 932 C ASN A 65 2.849 -15.052 5.434 1.00 0.00 C ATOM 933 O ASN A 65 2.240 -14.169 4.830 1.00 0.00 O ATOM 934 CB ASN A 65 4.579 -15.118 7.239 1.00 0.00 C ATOM 935 CG ASN A 65 4.654 -16.588 7.606 1.00 0.00 C ATOM 936 OD1 ASN A 65 4.961 -17.433 6.766 1.00 0.00 O ATOM 937 ND2 ASN A 65 4.373 -16.898 8.866 1.00 0.00 N ATOM 0 H ASN A 65 4.280 -12.805 5.706 1.00 0.00 H new ATOM 0 HA ASN A 65 4.885 -15.655 5.181 1.00 0.00 H new ATOM 0 HB2 ASN A 65 5.508 -14.627 7.528 1.00 0.00 H new ATOM 0 HB3 ASN A 65 3.778 -14.645 7.807 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.407 -17.871 9.172 1.00 0.00 H new ATOM 0 HD22 ASN A 65 4.123 -16.164 9.528 1.00 0.00 H new ATOM 944 N GLU A 66 2.273 -16.175 5.851 1.00 0.00 N ATOM 945 CA GLU A 66 0.859 -16.440 5.616 1.00 0.00 C ATOM 946 C GLU A 66 -0.015 -15.465 6.400 1.00 0.00 C ATOM 947 O GLU A 66 -1.141 -15.165 6.003 1.00 0.00 O ATOM 948 CB GLU A 66 0.515 -17.879 6.008 1.00 0.00 C ATOM 949 CG GLU A 66 -0.889 -18.299 5.607 1.00 0.00 C ATOM 950 CD GLU A 66 -1.028 -18.523 4.114 1.00 0.00 C ATOM 951 OE1 GLU A 66 -0.139 -18.070 3.362 1.00 0.00 O ATOM 952 OE2 GLU A 66 -2.024 -19.150 3.697 1.00 0.00 O ATOM 0 H GLU A 66 2.764 -16.915 6.353 1.00 0.00 H new ATOM 0 HA GLU A 66 0.662 -16.304 4.553 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.234 -18.555 5.545 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.624 -17.989 7.087 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.154 -19.215 6.134 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.597 -17.533 5.923 1.00 0.00 H new ATOM 959 N VAL A 67 0.512 -14.974 7.517 1.00 0.00 N ATOM 960 CA VAL A 67 -0.218 -14.033 8.358 1.00 0.00 C ATOM 961 C VAL A 67 0.411 -12.645 8.303 1.00 0.00 C ATOM 962 O VAL A 67 -0.202 -11.657 8.709 1.00 0.00 O ATOM 963 CB VAL A 67 -0.263 -14.507 9.823 1.00 0.00 C ATOM 964 CG1 VAL A 67 -0.983 -15.842 9.930 1.00 0.00 C ATOM 965 CG2 VAL A 67 1.143 -14.602 10.395 1.00 0.00 C ATOM 0 H VAL A 67 1.442 -15.212 7.861 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.235 -13.984 7.969 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.819 -13.774 10.407 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.005 -16.161 10.972 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.003 -15.736 9.561 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.458 -16.588 9.333 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.093 -14.938 11.431 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.726 -15.313 9.810 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.619 -13.622 10.354 1.00 0.00 H new ATOM 975 N THR A 68 1.639 -12.577 7.798 1.00 0.00 N ATOM 976 CA THR A 68 2.352 -11.310 7.691 1.00 0.00 C ATOM 977 C THR A 68 2.688 -10.990 6.239 1.00 0.00 C ATOM 978 O THR A 68 2.776 -11.887 5.399 1.00 0.00 O ATOM 979 CB THR A 68 3.652 -11.326 8.516 1.00 0.00 C ATOM 980 OG1 THR A 68 3.347 -11.437 9.910 1.00 0.00 O ATOM 981 CG2 THR A 68 4.465 -10.064 8.268 1.00 0.00 C ATOM 0 H THR A 68 2.160 -13.385 7.457 1.00 0.00 H new ATOM 0 HA THR A 68 1.690 -10.540 8.086 1.00 0.00 H new ATOM 0 HB THR A 68 4.243 -12.187 8.205 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.179 -11.448 10.427 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.379 -10.097 8.861 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.721 -9.998 7.211 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.878 -9.191 8.554 1.00 0.00 H new ATOM 989 N LEU A 69 2.876 -9.707 5.949 1.00 0.00 N ATOM 990 CA LEU A 69 3.204 -9.269 4.597 1.00 0.00 C ATOM 991 C LEU A 69 4.198 -8.112 4.626 1.00 0.00 C ATOM 992 O LEU A 69 3.852 -6.991 5.002 1.00 0.00 O ATOM 993 CB LEU A 69 1.935 -8.848 3.854 1.00 0.00 C ATOM 994 CG LEU A 69 1.218 -9.949 3.072 1.00 0.00 C ATOM 995 CD1 LEU A 69 -0.139 -9.463 2.587 1.00 0.00 C ATOM 996 CD2 LEU A 69 2.071 -10.413 1.900 1.00 0.00 C ATOM 0 H LEU A 69 2.807 -8.952 6.632 1.00 0.00 H new ATOM 0 HA LEU A 69 3.664 -10.106 4.072 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.236 -8.430 4.578 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.193 -8.047 3.161 1.00 0.00 H new ATOM 0 HG LEU A 69 1.060 -10.797 3.738 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.634 -10.260 2.033 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.752 -9.182 3.443 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.005 -8.598 1.937 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.545 -11.197 1.355 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.261 -9.572 1.233 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.019 -10.803 2.272 1.00 0.00 H new ATOM 1008 N THR A 70 5.434 -8.390 4.224 1.00 0.00 N ATOM 1009 CA THR A 70 6.477 -7.372 4.203 1.00 0.00 C ATOM 1010 C THR A 70 6.761 -6.905 2.780 1.00 0.00 C ATOM 1011 O THR A 70 7.089 -7.708 1.905 1.00 0.00 O ATOM 1012 CB THR A 70 7.784 -7.895 4.829 1.00 0.00 C ATOM 1013 OG1 THR A 70 7.544 -8.330 6.172 1.00 0.00 O ATOM 1014 CG2 THR A 70 8.856 -6.815 4.824 1.00 0.00 C ATOM 0 H THR A 70 5.737 -9.311 3.909 1.00 0.00 H new ATOM 0 HA THR A 70 6.110 -6.531 4.792 1.00 0.00 H new ATOM 0 HB THR A 70 8.136 -8.737 4.232 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.209 -7.929 6.770 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.770 -7.207 5.271 1.00 0.00 H new ATOM 0 HG22 THR A 70 9.057 -6.507 3.798 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.510 -5.956 5.400 1.00 0.00 H new ATOM 1022 N LEU A 71 6.632 -5.602 2.553 1.00 0.00 N ATOM 1023 CA LEU A 71 6.876 -5.027 1.235 1.00 0.00 C ATOM 1024 C LEU A 71 7.499 -3.640 1.353 1.00 0.00 C ATOM 1025 O LEU A 71 7.564 -3.066 2.440 1.00 0.00 O ATOM 1026 CB LEU A 71 5.569 -4.946 0.443 1.00 0.00 C ATOM 1027 CG LEU A 71 4.521 -3.969 0.977 1.00 0.00 C ATOM 1028 CD1 LEU A 71 3.568 -3.551 -0.132 1.00 0.00 C ATOM 1029 CD2 LEU A 71 3.754 -4.591 2.135 1.00 0.00 C ATOM 0 H LEU A 71 6.360 -4.924 3.265 1.00 0.00 H new ATOM 0 HA LEU A 71 7.575 -5.675 0.706 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.806 -4.668 -0.584 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.125 -5.941 0.409 1.00 0.00 H new ATOM 0 HG LEU A 71 5.034 -3.079 1.343 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.829 -2.856 0.266 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.129 -3.066 -0.931 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.062 -4.431 -0.528 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.012 -3.882 2.503 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.252 -5.497 1.794 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.447 -4.840 2.938 1.00 0.00 H new ATOM 1041 N THR A 72 7.956 -3.104 0.225 1.00 0.00 N ATOM 1042 CA THR A 72 8.573 -1.784 0.201 1.00 0.00 C ATOM 1043 C THR A 72 7.603 -0.733 -0.325 1.00 0.00 C ATOM 1044 O THR A 72 7.265 -0.721 -1.508 1.00 0.00 O ATOM 1045 CB THR A 72 9.844 -1.774 -0.670 1.00 0.00 C ATOM 1046 OG1 THR A 72 10.743 -2.801 -0.237 1.00 0.00 O ATOM 1047 CG2 THR A 72 10.538 -0.422 -0.599 1.00 0.00 C ATOM 0 H THR A 72 7.910 -3.564 -0.684 1.00 0.00 H new ATOM 0 HA THR A 72 8.843 -1.543 1.229 1.00 0.00 H new ATOM 0 HB THR A 72 9.551 -1.960 -1.703 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.547 -2.789 -0.797 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.432 -0.439 -1.222 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.861 0.354 -0.957 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.818 -0.211 0.433 1.00 0.00 H new ATOM 1055 N VAL A 73 7.157 0.151 0.563 1.00 0.00 N ATOM 1056 CA VAL A 73 6.226 1.208 0.188 1.00 0.00 C ATOM 1057 C VAL A 73 6.734 1.984 -1.022 1.00 0.00 C ATOM 1058 O VAL A 73 7.908 2.342 -1.112 1.00 0.00 O ATOM 1059 CB VAL A 73 5.992 2.189 1.352 1.00 0.00 C ATOM 1060 CG1 VAL A 73 5.067 3.317 0.923 1.00 0.00 C ATOM 1061 CG2 VAL A 73 5.429 1.457 2.561 1.00 0.00 C ATOM 0 H VAL A 73 7.426 0.155 1.547 1.00 0.00 H new ATOM 0 HA VAL A 73 5.283 0.724 -0.064 1.00 0.00 H new ATOM 0 HB VAL A 73 6.950 2.625 1.634 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.914 4.000 1.759 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.515 3.858 0.090 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.108 2.903 0.612 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.270 2.166 3.374 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.480 0.991 2.295 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.133 0.689 2.882 1.00 0.00 H new ATOM 1071 N PRO A 74 5.829 2.251 -1.976 1.00 0.00 N ATOM 1072 CA PRO A 74 6.162 2.989 -3.198 1.00 0.00 C ATOM 1073 C PRO A 74 6.455 4.460 -2.926 1.00 0.00 C ATOM 1074 O PRO A 74 6.511 4.888 -1.773 1.00 0.00 O ATOM 1075 CB PRO A 74 4.902 2.844 -4.054 1.00 0.00 C ATOM 1076 CG PRO A 74 3.802 2.621 -3.074 1.00 0.00 C ATOM 1077 CD PRO A 74 4.412 1.855 -1.934 1.00 0.00 C ATOM 0 HA PRO A 74 7.064 2.604 -3.674 1.00 0.00 H new ATOM 0 HB2 PRO A 74 4.724 3.738 -4.652 1.00 0.00 H new ATOM 0 HB3 PRO A 74 4.989 2.008 -4.748 1.00 0.00 H new ATOM 0 HG2 PRO A 74 3.388 3.569 -2.730 1.00 0.00 H new ATOM 0 HG3 PRO A 74 2.984 2.061 -3.527 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.950 2.116 -0.982 1.00 0.00 H new ATOM 0 HD3 PRO A 74 4.291 0.779 -2.063 1.00 0.00 H new ATOM 1085 N GLU A 75 6.640 5.230 -3.994 1.00 0.00 N ATOM 1086 CA GLU A 75 6.927 6.654 -3.868 1.00 0.00 C ATOM 1087 C GLU A 75 5.925 7.484 -4.665 1.00 0.00 C ATOM 1088 O GLU A 75 5.860 7.389 -5.891 1.00 0.00 O ATOM 1089 CB GLU A 75 8.349 6.954 -4.346 1.00 0.00 C ATOM 1090 CG GLU A 75 8.470 7.083 -5.855 1.00 0.00 C ATOM 1091 CD GLU A 75 9.874 6.805 -6.354 1.00 0.00 C ATOM 1092 OE1 GLU A 75 10.656 6.179 -5.609 1.00 0.00 O ATOM 1093 OE2 GLU A 75 10.191 7.214 -7.491 1.00 0.00 O ATOM 0 H GLU A 75 6.596 4.892 -4.955 1.00 0.00 H new ATOM 0 HA GLU A 75 6.840 6.924 -2.816 1.00 0.00 H new ATOM 0 HB2 GLU A 75 8.691 7.879 -3.882 1.00 0.00 H new ATOM 0 HB3 GLU A 75 9.013 6.161 -4.003 1.00 0.00 H new ATOM 0 HG2 GLU A 75 7.776 6.391 -6.332 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.174 8.088 -6.155 1.00 0.00 H new ATOM 1100 N TYR A 76 5.145 8.296 -3.960 1.00 0.00 N ATOM 1101 CA TYR A 76 4.144 9.140 -4.601 1.00 0.00 C ATOM 1102 C TYR A 76 4.726 9.845 -5.822 1.00 0.00 C ATOM 1103 O TYR A 76 5.936 10.048 -5.918 1.00 0.00 O ATOM 1104 CB TYR A 76 3.607 10.173 -3.609 1.00 0.00 C ATOM 1105 CG TYR A 76 2.320 10.830 -4.055 1.00 0.00 C ATOM 1106 CD1 TYR A 76 1.282 10.076 -4.588 1.00 0.00 C ATOM 1107 CD2 TYR A 76 2.143 12.203 -3.944 1.00 0.00 C ATOM 1108 CE1 TYR A 76 0.104 10.671 -4.997 1.00 0.00 C ATOM 1109 CE2 TYR A 76 0.968 12.807 -4.349 1.00 0.00 C ATOM 1110 CZ TYR A 76 -0.048 12.036 -4.876 1.00 0.00 C ATOM 1111 OH TYR A 76 -1.219 12.634 -5.282 1.00 0.00 O ATOM 0 H TYR A 76 5.187 8.387 -2.945 1.00 0.00 H new ATOM 0 HA TYR A 76 3.324 8.501 -4.930 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.443 9.689 -2.646 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.363 10.943 -3.454 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.398 9.007 -4.684 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.937 12.809 -3.534 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.693 10.070 -5.409 1.00 0.00 H new ATOM 0 HE2 TYR A 76 0.846 13.876 -4.254 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.164 13.600 -5.127 1.00 0.00 H new ATOM 1121 N SER A 77 3.854 10.217 -6.754 1.00 0.00 N ATOM 1122 CA SER A 77 4.281 10.898 -7.971 1.00 0.00 C ATOM 1123 C SER A 77 4.581 12.368 -7.696 1.00 0.00 C ATOM 1124 O SER A 77 5.732 12.798 -7.747 1.00 0.00 O ATOM 1125 CB SER A 77 3.203 10.779 -9.051 1.00 0.00 C ATOM 1126 OG SER A 77 3.757 10.945 -10.345 1.00 0.00 O ATOM 0 H SER A 77 2.848 10.058 -6.690 1.00 0.00 H new ATOM 0 HA SER A 77 5.195 10.420 -8.324 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.720 9.804 -8.981 1.00 0.00 H new ATOM 0 HB3 SER A 77 2.431 11.530 -8.883 1.00 0.00 H new ATOM 0 HG SER A 77 3.049 10.863 -11.017 1.00 0.00 H new ATOM 1132 N ASN A 78 3.535 13.134 -7.403 1.00 0.00 N ATOM 1133 CA ASN A 78 3.685 14.556 -7.119 1.00 0.00 C ATOM 1134 C ASN A 78 4.280 14.775 -5.732 1.00 0.00 C ATOM 1135 O ASN A 78 3.587 14.662 -4.721 1.00 0.00 O ATOM 1136 CB ASN A 78 2.332 15.264 -7.223 1.00 0.00 C ATOM 1137 CG ASN A 78 2.448 16.764 -7.037 1.00 0.00 C ATOM 1138 OD1 ASN A 78 3.381 17.251 -6.397 1.00 0.00 O ATOM 1139 ND2 ASN A 78 1.499 17.505 -7.597 1.00 0.00 N ATOM 0 H ASN A 78 2.575 12.794 -7.356 1.00 0.00 H new ATOM 0 HA ASN A 78 4.367 14.978 -7.858 1.00 0.00 H new ATOM 0 HB2 ASN A 78 1.890 15.055 -8.197 1.00 0.00 H new ATOM 0 HB3 ASN A 78 1.654 14.859 -6.471 1.00 0.00 H new ATOM 0 HD21 ASN A 78 1.525 18.521 -7.506 1.00 0.00 H new ATOM 0 HD22 ASN A 78 0.745 17.059 -8.118 1.00 0.00 H new ATOM 1146 N LYS A 79 5.571 15.089 -5.691 1.00 0.00 N ATOM 1147 CA LYS A 79 6.261 15.326 -4.429 1.00 0.00 C ATOM 1148 C LYS A 79 6.309 16.816 -4.106 1.00 0.00 C ATOM 1149 O LYS A 79 6.116 17.218 -2.958 1.00 0.00 O ATOM 1150 CB LYS A 79 7.682 14.760 -4.487 1.00 0.00 C ATOM 1151 CG LYS A 79 7.729 13.251 -4.657 1.00 0.00 C ATOM 1152 CD LYS A 79 9.092 12.691 -4.286 1.00 0.00 C ATOM 1153 CE LYS A 79 9.411 11.432 -5.077 1.00 0.00 C ATOM 1154 NZ LYS A 79 8.942 10.203 -4.378 1.00 0.00 N ATOM 0 H LYS A 79 6.160 15.185 -6.518 1.00 0.00 H new ATOM 0 HA LYS A 79 5.706 14.819 -3.640 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.217 15.227 -5.314 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.210 15.031 -3.573 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.963 12.790 -4.034 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.497 12.993 -5.690 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.859 13.443 -4.472 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.117 12.468 -3.219 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.943 11.492 -6.059 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.487 11.369 -5.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.751 9.574 -4.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.502 10.465 -3.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.245 9.710 -4.972 1.00 0.00 H new ATOM 1168 N ARG A 80 6.566 17.630 -5.124 1.00 0.00 N ATOM 1169 CA ARG A 80 6.639 19.075 -4.948 1.00 0.00 C ATOM 1170 C ARG A 80 5.645 19.544 -3.889 1.00 0.00 C ATOM 1171 O ARG A 80 5.954 20.415 -3.075 1.00 0.00 O ATOM 1172 CB ARG A 80 6.361 19.786 -6.274 1.00 0.00 C ATOM 1173 CG ARG A 80 7.399 19.502 -7.346 1.00 0.00 C ATOM 1174 CD ARG A 80 6.917 19.944 -8.719 1.00 0.00 C ATOM 1175 NE ARG A 80 7.176 21.361 -8.961 1.00 0.00 N ATOM 1176 CZ ARG A 80 8.392 21.868 -9.127 1.00 0.00 C ATOM 1177 NH1 ARG A 80 9.456 21.078 -9.078 1.00 0.00 N ATOM 1178 NH2 ARG A 80 8.547 23.168 -9.342 1.00 0.00 N ATOM 0 H ARG A 80 6.727 17.313 -6.080 1.00 0.00 H new ATOM 0 HA ARG A 80 7.646 19.325 -4.613 1.00 0.00 H new ATOM 0 HB2 ARG A 80 5.380 19.483 -6.640 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.317 20.861 -6.098 1.00 0.00 H new ATOM 0 HG2 ARG A 80 8.327 20.019 -7.101 1.00 0.00 H new ATOM 0 HG3 ARG A 80 7.623 18.435 -7.364 1.00 0.00 H new ATOM 0 HD2 ARG A 80 7.413 19.349 -9.486 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.848 19.751 -8.807 1.00 0.00 H new ATOM 0 HE ARG A 80 6.379 21.996 -9.005 1.00 0.00 H new ATOM 0 HH11 ARG A 80 9.342 20.078 -8.912 1.00 0.00 H new ATOM 0 HH12 ARG A 80 10.389 21.470 -9.206 1.00 0.00 H new ATOM 0 HH21 ARG A 80 7.731 23.779 -9.380 1.00 0.00 H new ATOM 0 HH22 ARG A 80 9.482 23.556 -9.469 1.00 0.00 H new ATOM 1192 N VAL A 81 4.451 18.961 -3.905 1.00 0.00 N ATOM 1193 CA VAL A 81 3.412 19.318 -2.946 1.00 0.00 C ATOM 1194 C VAL A 81 4.011 19.640 -1.582 1.00 0.00 C ATOM 1195 O VAL A 81 4.887 18.926 -1.093 1.00 0.00 O ATOM 1196 CB VAL A 81 2.381 18.185 -2.788 1.00 0.00 C ATOM 1197 CG1 VAL A 81 1.569 18.019 -4.063 1.00 0.00 C ATOM 1198 CG2 VAL A 81 3.074 16.883 -2.414 1.00 0.00 C ATOM 0 H VAL A 81 4.179 18.239 -4.572 1.00 0.00 H new ATOM 0 HA VAL A 81 2.910 20.203 -3.337 1.00 0.00 H new ATOM 0 HB VAL A 81 1.696 18.450 -1.982 1.00 0.00 H new ATOM 0 HG11 VAL A 81 0.846 17.214 -3.932 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.042 18.948 -4.282 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.236 17.776 -4.890 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.331 16.093 -2.306 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.783 16.610 -3.196 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.606 17.012 -1.471 1.00 0.00 H new ATOM 1208 N SER A 82 3.533 20.720 -0.972 1.00 0.00 N ATOM 1209 CA SER A 82 4.024 21.139 0.336 1.00 0.00 C ATOM 1210 C SER A 82 3.057 20.719 1.439 1.00 0.00 C ATOM 1211 O SER A 82 3.047 21.300 2.524 1.00 0.00 O ATOM 1212 CB SER A 82 4.224 22.655 0.367 1.00 0.00 C ATOM 1213 OG SER A 82 5.515 23.009 -0.098 1.00 0.00 O ATOM 0 H SER A 82 2.807 21.321 -1.362 1.00 0.00 H new ATOM 0 HA SER A 82 4.982 20.650 0.511 1.00 0.00 H new ATOM 0 HB2 SER A 82 3.467 23.138 -0.251 1.00 0.00 H new ATOM 0 HB3 SER A 82 4.087 23.022 1.384 1.00 0.00 H new ATOM 0 HG SER A 82 5.617 23.983 -0.070 1.00 0.00 H new ATOM 1219 N ARG A 83 2.246 19.707 1.152 1.00 0.00 N ATOM 1220 CA ARG A 83 1.274 19.209 2.118 1.00 0.00 C ATOM 1221 C ARG A 83 1.146 17.691 2.029 1.00 0.00 C ATOM 1222 O ARG A 83 1.436 17.079 1.001 1.00 0.00 O ATOM 1223 CB ARG A 83 -0.090 19.861 1.883 1.00 0.00 C ATOM 1224 CG ARG A 83 -0.160 21.310 2.337 1.00 0.00 C ATOM 1225 CD ARG A 83 -1.174 22.100 1.525 1.00 0.00 C ATOM 1226 NE ARG A 83 -2.538 21.897 2.007 1.00 0.00 N ATOM 1227 CZ ARG A 83 -3.022 22.469 3.104 1.00 0.00 C ATOM 1228 NH1 ARG A 83 -2.258 23.275 3.828 1.00 0.00 N ATOM 1229 NH2 ARG A 83 -4.274 22.236 3.478 1.00 0.00 N ATOM 0 H ARG A 83 2.242 19.215 0.258 1.00 0.00 H new ATOM 0 HA ARG A 83 1.626 19.468 3.116 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.329 19.810 0.821 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.853 19.287 2.409 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.428 21.349 3.393 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.823 21.771 2.240 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.928 23.161 1.570 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.111 21.803 0.478 1.00 0.00 H new ATOM 0 HE ARG A 83 -3.152 21.283 1.472 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -1.296 23.457 3.543 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -2.633 23.713 4.670 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -4.865 21.617 2.923 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -4.645 22.676 4.320 1.00 0.00 H new ATOM 1243 N PRO A 84 0.703 17.068 3.131 1.00 0.00 N ATOM 1244 CA PRO A 84 0.527 15.615 3.202 1.00 0.00 C ATOM 1245 C PRO A 84 -0.634 15.128 2.341 1.00 0.00 C ATOM 1246 O PRO A 84 -1.744 15.654 2.423 1.00 0.00 O ATOM 1247 CB PRO A 84 0.235 15.365 4.684 1.00 0.00 C ATOM 1248 CG PRO A 84 -0.340 16.647 5.178 1.00 0.00 C ATOM 1249 CD PRO A 84 0.338 17.735 4.392 1.00 0.00 C ATOM 0 HA PRO A 84 1.401 15.080 2.829 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -0.465 14.540 4.816 1.00 0.00 H new ATOM 0 HB3 PRO A 84 1.143 15.103 5.228 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -1.420 16.673 5.030 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -0.162 16.769 6.246 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -0.327 18.581 4.221 1.00 0.00 H new ATOM 0 HD3 PRO A 84 1.216 18.119 4.912 1.00 0.00 H new ATOM 1257 N VAL A 85 -0.371 14.120 1.516 1.00 0.00 N ATOM 1258 CA VAL A 85 -1.394 13.561 0.641 1.00 0.00 C ATOM 1259 C VAL A 85 -2.056 12.344 1.277 1.00 0.00 C ATOM 1260 O VAL A 85 -1.440 11.636 2.073 1.00 0.00 O ATOM 1261 CB VAL A 85 -0.806 13.158 -0.724 1.00 0.00 C ATOM 1262 CG1 VAL A 85 -1.882 12.549 -1.611 1.00 0.00 C ATOM 1263 CG2 VAL A 85 -0.161 14.357 -1.402 1.00 0.00 C ATOM 0 H VAL A 85 0.543 13.674 1.435 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.142 14.340 0.490 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.035 12.405 -0.559 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.447 12.271 -2.571 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.293 11.663 -1.128 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.677 13.277 -1.770 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.249 14.053 -2.365 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.909 15.135 -1.555 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.640 14.744 -0.772 1.00 0.00 H new ATOM 1273 N GLN A 86 -3.314 12.107 0.919 1.00 0.00 N ATOM 1274 CA GLN A 86 -4.060 10.975 1.455 1.00 0.00 C ATOM 1275 C GLN A 86 -4.380 9.965 0.358 1.00 0.00 C ATOM 1276 O GLN A 86 -5.176 10.240 -0.540 1.00 0.00 O ATOM 1277 CB GLN A 86 -5.353 11.456 2.115 1.00 0.00 C ATOM 1278 CG GLN A 86 -6.335 10.335 2.418 1.00 0.00 C ATOM 1279 CD GLN A 86 -5.900 9.480 3.592 1.00 0.00 C ATOM 1280 OE1 GLN A 86 -5.421 9.992 4.605 1.00 0.00 O ATOM 1281 NE2 GLN A 86 -6.063 8.169 3.462 1.00 0.00 N ATOM 0 H GLN A 86 -3.838 12.684 0.260 1.00 0.00 H new ATOM 0 HA GLN A 86 -3.439 10.485 2.204 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -5.107 11.973 3.043 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -5.835 12.184 1.463 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.315 10.763 2.628 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -6.445 9.705 1.535 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -6.464 7.787 2.605 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.787 7.543 4.219 1.00 0.00 H new ATOM 1290 N VAL A 87 -3.755 8.795 0.436 1.00 0.00 N ATOM 1291 CA VAL A 87 -3.974 7.743 -0.550 1.00 0.00 C ATOM 1292 C VAL A 87 -4.445 6.455 0.116 1.00 0.00 C ATOM 1293 O VAL A 87 -4.438 6.339 1.342 1.00 0.00 O ATOM 1294 CB VAL A 87 -2.693 7.453 -1.354 1.00 0.00 C ATOM 1295 CG1 VAL A 87 -2.172 8.724 -2.007 1.00 0.00 C ATOM 1296 CG2 VAL A 87 -1.632 6.830 -0.459 1.00 0.00 C ATOM 0 H VAL A 87 -3.092 8.551 1.172 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.748 8.101 -1.229 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.934 6.741 -2.143 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.267 8.499 -2.570 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.929 9.123 -2.682 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.946 9.462 -1.237 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.734 6.632 -1.044 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.392 7.516 0.353 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.009 5.895 -0.045 1.00 0.00 H new ATOM 1306 N TYR A 88 -4.855 5.490 -0.699 1.00 0.00 N ATOM 1307 CA TYR A 88 -5.333 4.210 -0.190 1.00 0.00 C ATOM 1308 C TYR A 88 -4.754 3.052 -0.997 1.00 0.00 C ATOM 1309 O TYR A 88 -4.368 3.219 -2.154 1.00 0.00 O ATOM 1310 CB TYR A 88 -6.861 4.160 -0.229 1.00 0.00 C ATOM 1311 CG TYR A 88 -7.524 5.258 0.572 1.00 0.00 C ATOM 1312 CD1 TYR A 88 -7.688 6.531 0.040 1.00 0.00 C ATOM 1313 CD2 TYR A 88 -7.986 5.022 1.861 1.00 0.00 C ATOM 1314 CE1 TYR A 88 -8.292 7.537 0.768 1.00 0.00 C ATOM 1315 CE2 TYR A 88 -8.593 6.022 2.596 1.00 0.00 C ATOM 1316 CZ TYR A 88 -8.743 7.277 2.046 1.00 0.00 C ATOM 1317 OH TYR A 88 -9.347 8.277 2.774 1.00 0.00 O ATOM 0 H TYR A 88 -4.866 5.570 -1.716 1.00 0.00 H new ATOM 0 HA TYR A 88 -4.999 4.112 0.843 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -7.192 4.228 -1.265 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -7.194 3.194 0.150 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -7.337 6.737 -0.960 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.869 4.040 2.296 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -8.411 8.521 0.340 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -8.948 5.822 3.596 1.00 0.00 H new ATOM 0 HH TYR A 88 -9.607 7.930 3.653 1.00 0.00 H new ATOM 1327 N PHE A 89 -4.697 1.878 -0.378 1.00 0.00 N ATOM 1328 CA PHE A 89 -4.165 0.691 -1.037 1.00 0.00 C ATOM 1329 C PHE A 89 -4.970 -0.549 -0.657 1.00 0.00 C ATOM 1330 O PHE A 89 -5.553 -0.616 0.426 1.00 0.00 O ATOM 1331 CB PHE A 89 -2.694 0.492 -0.666 1.00 0.00 C ATOM 1332 CG PHE A 89 -2.450 0.450 0.816 1.00 0.00 C ATOM 1333 CD1 PHE A 89 -2.632 -0.724 1.528 1.00 0.00 C ATOM 1334 CD2 PHE A 89 -2.038 1.585 1.495 1.00 0.00 C ATOM 1335 CE1 PHE A 89 -2.408 -0.764 2.892 1.00 0.00 C ATOM 1336 CE2 PHE A 89 -1.812 1.551 2.858 1.00 0.00 C ATOM 1337 CZ PHE A 89 -1.997 0.374 3.557 1.00 0.00 C ATOM 0 H PHE A 89 -5.013 1.723 0.579 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.244 0.838 -2.114 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.338 -0.437 -1.111 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.105 1.300 -1.100 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.952 -1.617 1.013 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.892 2.507 0.953 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.554 -1.685 3.437 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.491 2.443 3.376 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.820 0.344 4.622 1.00 0.00 H new ATOM 1347 N TYR A 90 -4.997 -1.527 -1.555 1.00 0.00 N ATOM 1348 CA TYR A 90 -5.732 -2.763 -1.316 1.00 0.00 C ATOM 1349 C TYR A 90 -4.857 -3.981 -1.599 1.00 0.00 C ATOM 1350 O TYR A 90 -3.812 -3.873 -2.240 1.00 0.00 O ATOM 1351 CB TYR A 90 -6.988 -2.811 -2.187 1.00 0.00 C ATOM 1352 CG TYR A 90 -6.701 -2.728 -3.669 1.00 0.00 C ATOM 1353 CD1 TYR A 90 -6.329 -1.526 -4.259 1.00 0.00 C ATOM 1354 CD2 TYR A 90 -6.800 -3.852 -4.480 1.00 0.00 C ATOM 1355 CE1 TYR A 90 -6.066 -1.445 -5.612 1.00 0.00 C ATOM 1356 CE2 TYR A 90 -6.537 -3.781 -5.835 1.00 0.00 C ATOM 1357 CZ TYR A 90 -6.171 -2.575 -6.396 1.00 0.00 C ATOM 1358 OH TYR A 90 -5.909 -2.499 -7.745 1.00 0.00 O ATOM 0 H TYR A 90 -4.519 -1.488 -2.455 1.00 0.00 H new ATOM 0 HA TYR A 90 -6.025 -2.784 -0.266 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -7.527 -3.736 -1.981 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -7.646 -1.989 -1.906 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -6.244 -0.639 -3.648 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -7.087 -4.797 -4.044 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -5.780 -0.502 -6.054 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -6.618 -4.664 -6.451 1.00 0.00 H new ATOM 0 HH TYR A 90 -6.027 -3.383 -8.152 1.00 0.00 H new ATOM 1368 N VAL A 91 -5.293 -5.140 -1.115 1.00 0.00 N ATOM 1369 CA VAL A 91 -4.552 -6.379 -1.316 1.00 0.00 C ATOM 1370 C VAL A 91 -5.368 -7.383 -2.123 1.00 0.00 C ATOM 1371 O VAL A 91 -6.401 -7.869 -1.665 1.00 0.00 O ATOM 1372 CB VAL A 91 -4.154 -7.020 0.027 1.00 0.00 C ATOM 1373 CG1 VAL A 91 -3.379 -8.308 -0.205 1.00 0.00 C ATOM 1374 CG2 VAL A 91 -3.342 -6.042 0.863 1.00 0.00 C ATOM 0 H VAL A 91 -6.156 -5.246 -0.581 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.649 -6.121 -1.869 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.063 -7.266 0.577 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.106 -8.747 0.755 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.999 -9.010 -0.762 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.475 -8.091 -0.775 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.069 -6.511 1.808 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.438 -5.764 0.322 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.937 -5.150 1.059 1.00 0.00 H new ATOM 1384 N SER A 92 -4.896 -7.688 -3.328 1.00 0.00 N ATOM 1385 CA SER A 92 -5.584 -8.632 -4.201 1.00 0.00 C ATOM 1386 C SER A 92 -5.158 -10.065 -3.896 1.00 0.00 C ATOM 1387 O SER A 92 -3.994 -10.426 -4.061 1.00 0.00 O ATOM 1388 CB SER A 92 -5.297 -8.304 -5.668 1.00 0.00 C ATOM 1389 OG SER A 92 -5.908 -9.248 -6.530 1.00 0.00 O ATOM 0 H SER A 92 -4.041 -7.295 -3.721 1.00 0.00 H new ATOM 0 HA SER A 92 -6.655 -8.544 -4.018 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.665 -7.304 -5.899 1.00 0.00 H new ATOM 0 HB3 SER A 92 -4.220 -8.295 -5.838 1.00 0.00 H new ATOM 0 HG SER A 92 -5.711 -9.016 -7.462 1.00 0.00 H new ATOM 1395 N ASN A 93 -6.111 -10.876 -3.448 1.00 0.00 N ATOM 1396 CA ASN A 93 -5.836 -12.270 -3.118 1.00 0.00 C ATOM 1397 C ASN A 93 -6.865 -13.194 -3.761 1.00 0.00 C ATOM 1398 O ASN A 93 -7.983 -13.335 -3.267 1.00 0.00 O ATOM 1399 CB ASN A 93 -5.835 -12.466 -1.601 1.00 0.00 C ATOM 1400 CG ASN A 93 -4.557 -11.967 -0.954 1.00 0.00 C ATOM 1401 OD1 ASN A 93 -3.644 -11.500 -1.636 1.00 0.00 O ATOM 1402 ND2 ASN A 93 -4.486 -12.065 0.368 1.00 0.00 N ATOM 0 H ASN A 93 -7.080 -10.592 -3.305 1.00 0.00 H new ATOM 0 HA ASN A 93 -4.851 -12.523 -3.511 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.687 -11.941 -1.169 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -5.965 -13.524 -1.374 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -3.651 -11.747 0.859 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -5.267 -12.459 0.893 1.00 0.00 H new ATOM 1409 N GLY A 94 -6.478 -13.824 -4.867 1.00 0.00 N ATOM 1410 CA GLY A 94 -7.378 -14.727 -5.559 1.00 0.00 C ATOM 1411 C GLY A 94 -7.804 -14.196 -6.914 1.00 0.00 C ATOM 1412 O GLY A 94 -7.019 -13.555 -7.611 1.00 0.00 O ATOM 0 H GLY A 94 -5.558 -13.725 -5.295 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -6.890 -15.693 -5.688 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.262 -14.896 -4.944 1.00 0.00 H new ATOM 1416 N ARG A 95 -9.051 -14.465 -7.287 1.00 0.00 N ATOM 1417 CA ARG A 95 -9.579 -14.012 -8.568 1.00 0.00 C ATOM 1418 C ARG A 95 -10.570 -12.868 -8.374 1.00 0.00 C ATOM 1419 O ARG A 95 -10.298 -11.728 -8.749 1.00 0.00 O ATOM 1420 CB ARG A 95 -10.258 -15.170 -9.303 1.00 0.00 C ATOM 1421 CG ARG A 95 -9.425 -16.441 -9.337 1.00 0.00 C ATOM 1422 CD ARG A 95 -9.546 -17.221 -8.037 1.00 0.00 C ATOM 1423 NE ARG A 95 -9.360 -18.656 -8.240 1.00 0.00 N ATOM 1424 CZ ARG A 95 -9.533 -19.562 -7.285 1.00 0.00 C ATOM 1425 NH1 ARG A 95 -9.896 -19.185 -6.067 1.00 0.00 N ATOM 1426 NH2 ARG A 95 -9.345 -20.849 -7.547 1.00 0.00 N ATOM 0 H ARG A 95 -9.714 -14.994 -6.721 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.745 -13.649 -9.168 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -11.213 -15.384 -8.823 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.477 -14.862 -10.325 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -9.747 -17.067 -10.169 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -8.380 -16.188 -9.515 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -8.805 -16.857 -7.325 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -10.527 -17.041 -7.596 1.00 0.00 H new ATOM 0 HE ARG A 95 -9.082 -18.980 -9.166 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -10.043 -18.197 -5.862 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -10.028 -19.883 -5.335 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -9.067 -21.144 -8.483 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -9.478 -21.544 -6.812 1.00 0.00 H new ATOM 1440 N ARG A 96 -11.720 -13.182 -7.787 1.00 0.00 N ATOM 1441 CA ARG A 96 -12.753 -12.182 -7.545 1.00 0.00 C ATOM 1442 C ARG A 96 -12.792 -11.787 -6.071 1.00 0.00 C ATOM 1443 O ARG A 96 -13.848 -11.454 -5.534 1.00 0.00 O ATOM 1444 CB ARG A 96 -14.120 -12.714 -7.977 1.00 0.00 C ATOM 1445 CG ARG A 96 -14.420 -12.494 -9.451 1.00 0.00 C ATOM 1446 CD ARG A 96 -15.660 -13.259 -9.887 1.00 0.00 C ATOM 1447 NE ARG A 96 -15.487 -14.703 -9.756 1.00 0.00 N ATOM 1448 CZ ARG A 96 -14.798 -15.442 -10.619 1.00 0.00 C ATOM 1449 NH1 ARG A 96 -14.221 -14.875 -11.669 1.00 0.00 N ATOM 1450 NH2 ARG A 96 -14.685 -16.751 -10.431 1.00 0.00 N ATOM 0 H ARG A 96 -11.960 -14.121 -7.470 1.00 0.00 H new ATOM 0 HA ARG A 96 -12.512 -11.298 -8.135 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -14.171 -13.781 -7.760 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -14.894 -12.230 -7.381 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -14.562 -11.430 -9.640 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -13.566 -12.812 -10.049 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -16.512 -12.940 -9.287 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -15.891 -13.014 -10.924 1.00 0.00 H new ATOM 0 HE ARG A 96 -15.919 -15.170 -8.958 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -14.305 -13.869 -11.816 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -13.693 -15.445 -12.330 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -15.127 -17.190 -9.624 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -14.156 -17.318 -11.094 1.00 0.00 H new ATOM 1464 N LYS A 97 -11.633 -11.826 -5.423 1.00 0.00 N ATOM 1465 CA LYS A 97 -11.533 -11.472 -4.012 1.00 0.00 C ATOM 1466 C LYS A 97 -10.589 -10.290 -3.813 1.00 0.00 C ATOM 1467 O LYS A 97 -9.480 -10.273 -4.347 1.00 0.00 O ATOM 1468 CB LYS A 97 -11.043 -12.671 -3.197 1.00 0.00 C ATOM 1469 CG LYS A 97 -12.018 -13.837 -3.184 1.00 0.00 C ATOM 1470 CD LYS A 97 -13.260 -13.516 -2.370 1.00 0.00 C ATOM 1471 CE LYS A 97 -14.386 -14.495 -2.663 1.00 0.00 C ATOM 1472 NZ LYS A 97 -14.054 -15.874 -2.210 1.00 0.00 N ATOM 0 H LYS A 97 -10.749 -12.099 -5.853 1.00 0.00 H new ATOM 0 HA LYS A 97 -12.526 -11.185 -3.665 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -10.090 -13.010 -3.602 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -10.858 -12.351 -2.171 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -12.305 -14.084 -4.206 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -11.528 -14.718 -2.769 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -13.018 -13.546 -1.308 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -13.591 -12.502 -2.593 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -15.297 -14.159 -2.167 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -14.590 -14.504 -3.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -14.853 -16.508 -2.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -13.209 -16.211 -2.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -13.867 -15.868 -1.187 1.00 0.00 H new ATOM 1486 N ARG A 98 -11.036 -9.305 -3.041 1.00 0.00 N ATOM 1487 CA ARG A 98 -10.231 -8.120 -2.772 1.00 0.00 C ATOM 1488 C ARG A 98 -10.232 -7.788 -1.282 1.00 0.00 C ATOM 1489 O ARG A 98 -11.076 -8.274 -0.529 1.00 0.00 O ATOM 1490 CB ARG A 98 -10.759 -6.927 -3.571 1.00 0.00 C ATOM 1491 CG ARG A 98 -9.672 -5.958 -4.008 1.00 0.00 C ATOM 1492 CD ARG A 98 -10.200 -4.535 -4.104 1.00 0.00 C ATOM 1493 NE ARG A 98 -9.511 -3.764 -5.136 1.00 0.00 N ATOM 1494 CZ ARG A 98 -9.824 -2.512 -5.449 1.00 0.00 C ATOM 1495 NH1 ARG A 98 -10.808 -1.892 -4.813 1.00 0.00 N ATOM 1496 NH2 ARG A 98 -9.150 -1.877 -6.399 1.00 0.00 N ATOM 0 H ARG A 98 -11.951 -9.304 -2.591 1.00 0.00 H new ATOM 0 HA ARG A 98 -9.207 -8.330 -3.079 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -11.283 -7.295 -4.454 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -11.491 -6.391 -2.967 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -8.845 -5.993 -3.299 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -9.276 -6.266 -4.975 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -11.268 -4.558 -4.321 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -10.082 -4.039 -3.141 1.00 0.00 H new ATOM 0 HE ARG A 98 -8.748 -4.212 -5.644 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -11.327 -2.377 -4.081 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -11.046 -0.930 -5.056 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -8.391 -2.350 -6.889 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -9.391 -0.915 -6.639 1.00 0.00 H new ATOM 1510 N SER A 99 -9.281 -6.959 -0.865 1.00 0.00 N ATOM 1511 CA SER A 99 -9.170 -6.566 0.535 1.00 0.00 C ATOM 1512 C SER A 99 -9.632 -5.126 0.734 1.00 0.00 C ATOM 1513 O SER A 99 -9.599 -4.304 -0.183 1.00 0.00 O ATOM 1514 CB SER A 99 -7.726 -6.721 1.017 1.00 0.00 C ATOM 1515 OG SER A 99 -7.404 -5.740 1.987 1.00 0.00 O ATOM 0 H SER A 99 -8.576 -6.546 -1.476 1.00 0.00 H new ATOM 0 HA SER A 99 -9.814 -7.220 1.122 1.00 0.00 H new ATOM 0 HB2 SER A 99 -7.585 -7.715 1.441 1.00 0.00 H new ATOM 0 HB3 SER A 99 -7.045 -6.636 0.170 1.00 0.00 H new ATOM 0 HG SER A 99 -6.477 -5.862 2.280 1.00 0.00 H new ATOM 1521 N PRO A 100 -10.075 -4.812 1.960 1.00 0.00 N ATOM 1522 CA PRO A 100 -10.553 -3.470 2.309 1.00 0.00 C ATOM 1523 C PRO A 100 -9.425 -2.445 2.347 1.00 0.00 C ATOM 1524 O PRO A 100 -8.460 -2.594 3.098 1.00 0.00 O ATOM 1525 CB PRO A 100 -11.150 -3.659 3.706 1.00 0.00 C ATOM 1526 CG PRO A 100 -10.435 -4.839 4.267 1.00 0.00 C ATOM 1527 CD PRO A 100 -10.143 -5.741 3.100 1.00 0.00 C ATOM 0 HA PRO A 100 -11.262 -3.086 1.575 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -10.999 -2.774 4.324 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -12.225 -3.834 3.657 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -9.514 -4.536 4.766 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -11.048 -5.349 5.010 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -9.206 -6.282 3.234 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -10.925 -6.488 2.964 1.00 0.00 H new ATOM 1535 N THR A 101 -9.552 -1.402 1.532 1.00 0.00 N ATOM 1536 CA THR A 101 -8.543 -0.352 1.471 1.00 0.00 C ATOM 1537 C THR A 101 -8.110 0.075 2.869 1.00 0.00 C ATOM 1538 O THR A 101 -8.793 -0.207 3.853 1.00 0.00 O ATOM 1539 CB THR A 101 -9.061 0.881 0.708 1.00 0.00 C ATOM 1540 OG1 THR A 101 -10.285 1.340 1.291 1.00 0.00 O ATOM 1541 CG2 THR A 101 -9.285 0.554 -0.761 1.00 0.00 C ATOM 0 H THR A 101 -10.344 -1.262 0.905 1.00 0.00 H new ATOM 0 HA THR A 101 -7.687 -0.766 0.938 1.00 0.00 H new ATOM 0 HB THR A 101 -8.308 1.666 0.779 1.00 0.00 H new ATOM 0 HG1 THR A 101 -10.607 2.125 0.801 1.00 0.00 H new ATOM 0 HG21 THR A 101 -9.651 1.440 -1.279 1.00 0.00 H new ATOM 0 HG22 THR A 101 -8.345 0.233 -1.210 1.00 0.00 H new ATOM 0 HG23 THR A 101 -10.020 -0.246 -0.848 1.00 0.00 H new ATOM 1549 N GLN A 102 -6.971 0.756 2.948 1.00 0.00 N ATOM 1550 CA GLN A 102 -6.447 1.222 4.227 1.00 0.00 C ATOM 1551 C GLN A 102 -6.111 2.708 4.169 1.00 0.00 C ATOM 1552 O GLN A 102 -5.285 3.136 3.363 1.00 0.00 O ATOM 1553 CB GLN A 102 -5.204 0.420 4.615 1.00 0.00 C ATOM 1554 CG GLN A 102 -5.479 -1.058 4.842 1.00 0.00 C ATOM 1555 CD GLN A 102 -6.557 -1.298 5.880 1.00 0.00 C ATOM 1556 OE1 GLN A 102 -6.608 -0.621 6.908 1.00 0.00 O ATOM 1557 NE2 GLN A 102 -7.428 -2.266 5.617 1.00 0.00 N ATOM 0 H GLN A 102 -6.394 0.997 2.142 1.00 0.00 H new ATOM 0 HA GLN A 102 -7.218 1.072 4.983 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -4.455 0.525 3.830 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -4.777 0.845 5.523 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -5.779 -1.517 3.900 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -4.559 -1.550 5.158 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -7.349 -2.802 4.753 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -8.176 -2.473 6.279 1.00 0.00 H new ATOM 1566 N SER A 103 -6.757 3.490 5.028 1.00 0.00 N ATOM 1567 CA SER A 103 -6.529 4.930 5.071 1.00 0.00 C ATOM 1568 C SER A 103 -5.059 5.240 5.336 1.00 0.00 C ATOM 1569 O SER A 103 -4.545 4.986 6.426 1.00 0.00 O ATOM 1570 CB SER A 103 -7.400 5.573 6.152 1.00 0.00 C ATOM 1571 OG SER A 103 -7.105 5.038 7.430 1.00 0.00 O ATOM 0 H SER A 103 -7.442 3.151 5.703 1.00 0.00 H new ATOM 0 HA SER A 103 -6.800 5.345 4.100 1.00 0.00 H new ATOM 0 HB2 SER A 103 -7.239 6.651 6.160 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.452 5.410 5.920 1.00 0.00 H new ATOM 0 HG SER A 103 -6.151 4.820 7.481 1.00 0.00 H new ATOM 1577 N PHE A 104 -4.386 5.789 4.330 1.00 0.00 N ATOM 1578 CA PHE A 104 -2.974 6.133 4.452 1.00 0.00 C ATOM 1579 C PHE A 104 -2.750 7.618 4.181 1.00 0.00 C ATOM 1580 O PHE A 104 -3.614 8.295 3.623 1.00 0.00 O ATOM 1581 CB PHE A 104 -2.137 5.294 3.484 1.00 0.00 C ATOM 1582 CG PHE A 104 -0.744 5.022 3.977 1.00 0.00 C ATOM 1583 CD1 PHE A 104 -0.505 4.011 4.894 1.00 0.00 C ATOM 1584 CD2 PHE A 104 0.325 5.776 3.522 1.00 0.00 C ATOM 1585 CE1 PHE A 104 0.775 3.759 5.349 1.00 0.00 C ATOM 1586 CE2 PHE A 104 1.608 5.528 3.973 1.00 0.00 C ATOM 1587 CZ PHE A 104 1.833 4.517 4.887 1.00 0.00 C ATOM 0 H PHE A 104 -4.796 6.005 3.421 1.00 0.00 H new ATOM 0 HA PHE A 104 -2.660 5.917 5.473 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -2.643 4.345 3.307 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -2.080 5.809 2.525 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -1.328 3.414 5.257 1.00 0.00 H new ATOM 0 HD2 PHE A 104 0.154 6.567 2.807 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.948 2.970 6.066 1.00 0.00 H new ATOM 0 HE2 PHE A 104 2.433 6.124 3.611 1.00 0.00 H new ATOM 0 HZ PHE A 104 2.835 4.320 5.240 1.00 0.00 H new ATOM 1597 N ARG A 105 -1.585 8.117 4.580 1.00 0.00 N ATOM 1598 CA ARG A 105 -1.248 9.522 4.381 1.00 0.00 C ATOM 1599 C ARG A 105 0.265 9.714 4.321 1.00 0.00 C ATOM 1600 O ARG A 105 0.988 9.324 5.238 1.00 0.00 O ATOM 1601 CB ARG A 105 -1.837 10.374 5.507 1.00 0.00 C ATOM 1602 CG ARG A 105 -1.654 11.868 5.300 1.00 0.00 C ATOM 1603 CD ARG A 105 -1.843 12.638 6.597 1.00 0.00 C ATOM 1604 NE ARG A 105 -3.245 12.691 7.003 1.00 0.00 N ATOM 1605 CZ ARG A 105 -3.743 13.625 7.805 1.00 0.00 C ATOM 1606 NH1 ARG A 105 -2.957 14.579 8.285 1.00 0.00 N ATOM 1607 NH2 ARG A 105 -5.030 13.606 8.129 1.00 0.00 N ATOM 0 H ARG A 105 -0.859 7.570 5.043 1.00 0.00 H new ATOM 0 HA ARG A 105 -1.676 9.842 3.431 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -2.901 10.156 5.597 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -1.372 10.087 6.450 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.658 12.062 4.903 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -2.368 12.224 4.557 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -1.255 12.169 7.386 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -1.462 13.652 6.475 1.00 0.00 H new ATOM 0 HE ARG A 105 -3.876 11.971 6.651 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -1.967 14.597 8.038 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -3.342 15.295 8.901 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -5.638 12.874 7.762 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -5.411 14.324 8.745 1.00 0.00 H new ATOM 1621 N PHE A 106 0.737 10.318 3.235 1.00 0.00 N ATOM 1622 CA PHE A 106 2.163 10.561 3.054 1.00 0.00 C ATOM 1623 C PHE A 106 2.546 11.950 3.555 1.00 0.00 C ATOM 1624 O PHE A 106 1.855 12.933 3.284 1.00 0.00 O ATOM 1625 CB PHE A 106 2.544 10.416 1.580 1.00 0.00 C ATOM 1626 CG PHE A 106 2.213 9.068 1.005 1.00 0.00 C ATOM 1627 CD1 PHE A 106 2.601 7.908 1.657 1.00 0.00 C ATOM 1628 CD2 PHE A 106 1.515 8.961 -0.187 1.00 0.00 C ATOM 1629 CE1 PHE A 106 2.298 6.666 1.131 1.00 0.00 C ATOM 1630 CE2 PHE A 106 1.209 7.721 -0.717 1.00 0.00 C ATOM 1631 CZ PHE A 106 1.602 6.573 -0.058 1.00 0.00 C ATOM 0 H PHE A 106 0.152 10.648 2.467 1.00 0.00 H new ATOM 0 HA PHE A 106 2.709 9.820 3.638 1.00 0.00 H new ATOM 0 HB2 PHE A 106 2.030 11.185 1.003 1.00 0.00 H new ATOM 0 HB3 PHE A 106 3.613 10.597 1.470 1.00 0.00 H new ATOM 0 HD1 PHE A 106 3.146 7.975 2.587 1.00 0.00 H new ATOM 0 HD2 PHE A 106 1.207 9.856 -0.708 1.00 0.00 H new ATOM 0 HE1 PHE A 106 2.605 5.770 1.649 1.00 0.00 H new ATOM 0 HE2 PHE A 106 0.663 7.650 -1.646 1.00 0.00 H new ATOM 0 HZ PHE A 106 1.365 5.604 -0.472 1.00 0.00 H new ATOM 1641 N LEU A 107 3.651 12.024 4.289 1.00 0.00 N ATOM 1642 CA LEU A 107 4.127 13.293 4.830 1.00 0.00 C ATOM 1643 C LEU A 107 5.216 13.888 3.944 1.00 0.00 C ATOM 1644 O LEU A 107 6.044 13.177 3.374 1.00 0.00 O ATOM 1645 CB LEU A 107 4.659 13.097 6.251 1.00 0.00 C ATOM 1646 CG LEU A 107 3.740 12.345 7.214 1.00 0.00 C ATOM 1647 CD1 LEU A 107 4.520 11.856 8.424 1.00 0.00 C ATOM 1648 CD2 LEU A 107 2.581 13.231 7.646 1.00 0.00 C ATOM 0 H LEU A 107 4.234 11.221 4.523 1.00 0.00 H new ATOM 0 HA LEU A 107 3.287 13.987 4.856 1.00 0.00 H new ATOM 0 HB2 LEU A 107 5.607 12.562 6.192 1.00 0.00 H new ATOM 0 HB3 LEU A 107 4.873 14.078 6.676 1.00 0.00 H new ATOM 0 HG LEU A 107 3.334 11.477 6.695 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.849 11.323 9.098 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.315 11.185 8.098 1.00 0.00 H new ATOM 0 HD13 LEU A 107 4.956 12.709 8.945 1.00 0.00 H new ATOM 0 HD21 LEU A 107 1.937 12.680 8.331 1.00 0.00 H new ATOM 0 HD22 LEU A 107 2.968 14.118 8.147 1.00 0.00 H new ATOM 0 HD23 LEU A 107 2.006 13.531 6.770 1.00 0.00 H new ATOM 1660 N PRO A 108 5.220 15.224 3.826 1.00 0.00 N ATOM 1661 CA PRO A 108 6.204 15.945 3.013 1.00 0.00 C ATOM 1662 C PRO A 108 7.603 15.897 3.619 1.00 0.00 C ATOM 1663 O PRO A 108 7.790 16.197 4.798 1.00 0.00 O ATOM 1664 CB PRO A 108 5.674 17.381 3.004 1.00 0.00 C ATOM 1665 CG PRO A 108 4.865 17.493 4.250 1.00 0.00 C ATOM 1666 CD PRO A 108 4.263 16.134 4.477 1.00 0.00 C ATOM 0 HA PRO A 108 6.309 15.509 2.019 1.00 0.00 H new ATOM 0 HB2 PRO A 108 6.490 18.104 2.995 1.00 0.00 H new ATOM 0 HB3 PRO A 108 5.067 17.574 2.119 1.00 0.00 H new ATOM 0 HG2 PRO A 108 5.488 17.790 5.094 1.00 0.00 H new ATOM 0 HG3 PRO A 108 4.089 18.251 4.144 1.00 0.00 H new ATOM 0 HD2 PRO A 108 4.158 15.913 5.539 1.00 0.00 H new ATOM 0 HD3 PRO A 108 3.270 16.056 4.035 1.00 0.00 H new ATOM 1674 N VAL A 109 8.583 15.517 2.805 1.00 0.00 N ATOM 1675 CA VAL A 109 9.965 15.432 3.261 1.00 0.00 C ATOM 1676 C VAL A 109 10.513 16.809 3.617 1.00 0.00 C ATOM 1677 O VAL A 109 11.323 16.949 4.534 1.00 0.00 O ATOM 1678 CB VAL A 109 10.870 14.792 2.191 1.00 0.00 C ATOM 1679 CG1 VAL A 109 12.304 14.700 2.691 1.00 0.00 C ATOM 1680 CG2 VAL A 109 10.344 13.420 1.800 1.00 0.00 C ATOM 0 H VAL A 109 8.445 15.263 1.827 1.00 0.00 H new ATOM 0 HA VAL A 109 9.966 14.803 4.151 1.00 0.00 H new ATOM 0 HB VAL A 109 10.859 15.426 1.304 1.00 0.00 H new ATOM 0 HG11 VAL A 109 12.929 14.245 1.922 1.00 0.00 H new ATOM 0 HG12 VAL A 109 12.676 15.700 2.917 1.00 0.00 H new ATOM 0 HG13 VAL A 109 12.336 14.089 3.593 1.00 0.00 H new ATOM 0 HG21 VAL A 109 10.995 12.983 1.043 1.00 0.00 H new ATOM 0 HG22 VAL A 109 10.323 12.774 2.678 1.00 0.00 H new ATOM 0 HG23 VAL A 109 9.336 13.518 1.398 1.00 0.00 H new ATOM 1690 N ILE A 110 10.065 17.825 2.886 1.00 0.00 N ATOM 1691 CA ILE A 110 10.509 19.192 3.126 1.00 0.00 C ATOM 1692 C ILE A 110 10.761 19.436 4.610 1.00 0.00 C ATOM 1693 O ILE A 110 11.777 20.020 4.990 1.00 0.00 O ATOM 1694 CB ILE A 110 9.478 20.217 2.616 1.00 0.00 C ATOM 1695 CG1 ILE A 110 9.321 20.102 1.098 1.00 0.00 C ATOM 1696 CG2 ILE A 110 9.895 21.627 3.006 1.00 0.00 C ATOM 1697 CD1 ILE A 110 8.057 20.746 0.572 1.00 0.00 C ATOM 0 H ILE A 110 9.395 17.727 2.123 1.00 0.00 H new ATOM 0 HA ILE A 110 11.441 19.322 2.576 1.00 0.00 H new ATOM 0 HB ILE A 110 8.515 20.003 3.079 1.00 0.00 H new ATOM 0 HG12 ILE A 110 10.183 20.564 0.616 1.00 0.00 H new ATOM 0 HG13 ILE A 110 9.326 19.048 0.819 1.00 0.00 H new ATOM 0 HG21 ILE A 110 9.157 22.340 2.639 1.00 0.00 H new ATOM 0 HG22 ILE A 110 9.961 21.700 4.092 1.00 0.00 H new ATOM 0 HG23 ILE A 110 10.867 21.853 2.568 1.00 0.00 H new ATOM 0 HD11 ILE A 110 8.011 20.627 -0.510 1.00 0.00 H new ATOM 0 HD12 ILE A 110 7.189 20.269 1.027 1.00 0.00 H new ATOM 0 HD13 ILE A 110 8.059 21.807 0.820 1.00 0.00 H new ATOM 1709 N CYS A 111 9.831 18.985 5.444 1.00 0.00 N ATOM 1710 CA CYS A 111 9.952 19.153 6.887 1.00 0.00 C ATOM 1711 C CYS A 111 9.073 18.150 7.627 1.00 0.00 C ATOM 1712 O CYS A 111 7.902 17.969 7.294 1.00 0.00 O ATOM 1713 CB CYS A 111 9.569 20.578 7.290 1.00 0.00 C ATOM 1714 SG CYS A 111 7.818 20.966 7.059 1.00 0.00 S ATOM 0 H CYS A 111 8.985 18.500 5.145 1.00 0.00 H new ATOM 0 HA CYS A 111 10.991 18.972 7.162 1.00 0.00 H new ATOM 0 HB2 CYS A 111 9.828 20.730 8.338 1.00 0.00 H new ATOM 0 HB3 CYS A 111 10.166 21.281 6.709 1.00 0.00 H new ATOM 0 HG CYS A 111 7.126 19.866 7.060 1.00 0.00 H new ATOM 1720 N LYS A 112 9.647 17.498 8.633 1.00 0.00 N ATOM 1721 CA LYS A 112 8.917 16.511 9.421 1.00 0.00 C ATOM 1722 C LYS A 112 8.395 17.127 10.715 1.00 0.00 C ATOM 1723 O LYS A 112 9.127 17.816 11.424 1.00 0.00 O ATOM 1724 CB LYS A 112 9.818 15.316 9.740 1.00 0.00 C ATOM 1725 CG LYS A 112 11.048 15.682 10.553 1.00 0.00 C ATOM 1726 CD LYS A 112 12.122 14.611 10.451 1.00 0.00 C ATOM 1727 CE LYS A 112 12.815 14.643 9.098 1.00 0.00 C ATOM 1728 NZ LYS A 112 13.877 13.604 8.994 1.00 0.00 N ATOM 0 H LYS A 112 10.616 17.635 8.922 1.00 0.00 H new ATOM 0 HA LYS A 112 8.066 16.170 8.832 1.00 0.00 H new ATOM 0 HB2 LYS A 112 9.240 14.571 10.287 1.00 0.00 H new ATOM 0 HB3 LYS A 112 10.135 14.851 8.806 1.00 0.00 H new ATOM 0 HG2 LYS A 112 11.447 16.634 10.202 1.00 0.00 H new ATOM 0 HG3 LYS A 112 10.768 15.819 11.597 1.00 0.00 H new ATOM 0 HD2 LYS A 112 12.858 14.756 11.241 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.675 13.630 10.609 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.079 14.490 8.309 1.00 0.00 H new ATOM 0 HE3 LYS A 112 13.254 15.628 8.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 14.325 13.659 8.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 14.593 13.765 9.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 13.455 12.662 9.121 1.00 0.00 H new ATOM 1742 N GLU A 113 7.125 16.874 11.015 1.00 0.00 N ATOM 1743 CA GLU A 113 6.506 17.403 12.224 1.00 0.00 C ATOM 1744 C GLU A 113 6.955 16.620 13.454 1.00 0.00 C ATOM 1745 O GLU A 113 7.233 17.198 14.504 1.00 0.00 O ATOM 1746 CB GLU A 113 4.981 17.357 12.106 1.00 0.00 C ATOM 1747 CG GLU A 113 4.260 18.021 13.267 1.00 0.00 C ATOM 1748 CD GLU A 113 2.916 18.598 12.866 1.00 0.00 C ATOM 1749 OE1 GLU A 113 2.887 19.471 11.974 1.00 0.00 O ATOM 1750 OE2 GLU A 113 1.893 18.175 13.444 1.00 0.00 O ATOM 0 H GLU A 113 6.505 16.306 10.437 1.00 0.00 H new ATOM 0 HA GLU A 113 6.823 18.439 12.339 1.00 0.00 H new ATOM 0 HB2 GLU A 113 4.682 17.844 11.178 1.00 0.00 H new ATOM 0 HB3 GLU A 113 4.662 16.317 12.038 1.00 0.00 H new ATOM 0 HG2 GLU A 113 4.115 17.292 14.064 1.00 0.00 H new ATOM 0 HG3 GLU A 113 4.886 18.816 13.672 1.00 0.00 H new ATOM 1757 N GLU A 114 7.024 15.299 13.314 1.00 0.00 N ATOM 1758 CA GLU A 114 7.438 14.436 14.414 1.00 0.00 C ATOM 1759 C GLU A 114 8.916 14.635 14.735 1.00 0.00 C ATOM 1760 O GLU A 114 9.723 14.907 13.847 1.00 0.00 O ATOM 1761 CB GLU A 114 7.173 12.969 14.068 1.00 0.00 C ATOM 1762 CG GLU A 114 7.303 12.031 15.256 1.00 0.00 C ATOM 1763 CD GLU A 114 8.728 11.921 15.760 1.00 0.00 C ATOM 1764 OE1 GLU A 114 9.529 11.201 15.128 1.00 0.00 O ATOM 1765 OE2 GLU A 114 9.044 12.556 16.789 1.00 0.00 O ATOM 0 H GLU A 114 6.799 14.804 12.451 1.00 0.00 H new ATOM 0 HA GLU A 114 6.853 14.706 15.294 1.00 0.00 H new ATOM 0 HB2 GLU A 114 6.170 12.878 13.652 1.00 0.00 H new ATOM 0 HB3 GLU A 114 7.870 12.656 13.291 1.00 0.00 H new ATOM 0 HG2 GLU A 114 6.662 12.384 16.064 1.00 0.00 H new ATOM 0 HG3 GLU A 114 6.944 11.041 14.973 1.00 0.00 H new TER 1772 GLU A 114