USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 766 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 77 THR OG1 : rot 121:sc= -0.522 USER MOD Set 1.2: A 81 THR OG1 : rot 88:sc= 1.02 USER MOD Set 2.1: A 71 ASN :FLIP amide:sc= 1.09 F(o=-1.6!,f=1.8) USER MOD Set 2.2: A 73 THR OG1 : rot -102:sc= 0.72 USER MOD Set 3.1: A 6 TYR OH : rot 60:sc= -0.855! USER MOD Set 3.2: A 11 MET CE :methyl 132:sc= -1.34 (180deg=-3.73!) USER MOD Single : A 7 ASN : amide:sc= -0.815 K(o=-0.81,f=-4.8!) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 173:sc= 1.22 (180deg=1.17) USER MOD Single : A 63 MET CE :methyl -128:sc= -1.71 (180deg=-2.93) USER MOD Single : A 64 MET CE :methyl -122:sc= -2.48! (180deg=-4.37!) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.319 USER MOD Single : A 69 SER OG : rot -117:sc= -0.833 USER MOD Single : A 75 LYS NZ :NH3+ 172:sc=-0.00842 (180deg=-0.0748) USER MOD Single : A 82 SER OG : rot 85:sc= 1.23 USER MOD Single : A 85 GLN : amide:sc= 0.703 K(o=0.7,f=-3!) USER MOD Single : A 87 SER OG : rot 72:sc= 0.747 USER MOD Single : A 90 ASN : amide:sc= -0.223 K(o=-0.22,f=-1.9!) USER MOD Single : A 92 ASN : amide:sc= -0.0898 X(o=-0.09,f=-0.12) USER MOD Single : A 93 TYR OH : rot -119:sc= 0.884 USER MOD Single : A 96 GLN : amide:sc= -1.88! C(o=-1.9!,f=-6.9!) USER MOD Single : A 102 SER OG : rot -159:sc= 0.515 USER MOD Single : A 108 MET CE :methyl -172:sc= -1.86 (180deg=-2.11!) USER MOD Single : A 113 SER OG : rot 82:sc= 0.764 USER MOD Single : A 114 TYR OH : rot 180:sc=-0.000343 USER MOD Single : A 119 LYS NZ :NH3+ -168:sc= -0.0196 (180deg=-0.189) USER MOD Single : A 124 SER OG : rot -39:sc= 0.327 USER MOD Single : A 125 GLN :FLIP amide:sc= -2.59 F(o=-4.8!,f=-2.6) USER MOD Single : A 128 CYS SG : rot -7:sc= 0.694 USER MOD Single : A 132 THR OG1 : rot -16:sc= -1.86! USER MOD ----------------------------------------------------------------- ATOM 22 N ILE A 3 3.561 -15.872 5.838 1.00 0.00 N ATOM 23 CA ILE A 3 4.442 -14.692 5.927 1.00 0.00 C ATOM 24 C ILE A 3 3.904 -13.628 6.910 1.00 0.00 C ATOM 25 O ILE A 3 4.190 -12.430 6.786 1.00 0.00 O ATOM 26 CB ILE A 3 4.706 -14.080 4.513 1.00 0.00 C ATOM 27 CG1 ILE A 3 5.977 -13.210 4.522 1.00 0.00 C ATOM 28 CG2 ILE A 3 3.508 -13.272 4.015 1.00 0.00 C ATOM 29 CD1 ILE A 3 6.318 -12.605 3.174 1.00 0.00 C ATOM 0 HA ILE A 3 5.395 -15.036 6.330 1.00 0.00 H new ATOM 0 HB ILE A 3 4.857 -14.910 3.822 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.850 -12.407 5.248 1.00 0.00 H new ATOM 0 HG13 ILE A 3 6.818 -13.816 4.860 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.730 -12.863 3.029 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.634 -13.920 3.951 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.305 -12.457 4.709 1.00 0.00 H new ATOM 0 HD11 ILE A 3 7.225 -12.007 3.263 1.00 0.00 H new ATOM 0 HD12 ILE A 3 6.478 -13.402 2.448 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.496 -11.971 2.841 1.00 0.00 H new ATOM 41 N ARG A 4 3.181 -14.097 7.927 1.00 0.00 N ATOM 42 CA ARG A 4 2.550 -13.225 8.927 1.00 0.00 C ATOM 43 C ARG A 4 3.577 -12.313 9.599 1.00 0.00 C ATOM 44 O ARG A 4 3.270 -11.168 9.947 1.00 0.00 O ATOM 45 CB ARG A 4 1.837 -14.070 9.991 1.00 0.00 C ATOM 46 CG ARG A 4 0.874 -15.097 9.404 1.00 0.00 C ATOM 47 CD ARG A 4 0.294 -16.019 10.471 1.00 0.00 C ATOM 48 NE ARG A 4 -0.716 -15.356 11.296 1.00 0.00 N ATOM 49 CZ ARG A 4 -1.320 -15.929 12.340 1.00 0.00 C ATOM 50 NH1 ARG A 4 -0.946 -17.137 12.753 1.00 0.00 N ATOM 51 NH2 ARG A 4 -2.282 -15.276 12.976 1.00 0.00 N ATOM 0 H ARG A 4 3.014 -15.091 8.084 1.00 0.00 H new ATOM 0 HA ARG A 4 1.823 -12.599 8.410 1.00 0.00 H new ATOM 0 HB2 ARG A 4 2.584 -14.586 10.594 1.00 0.00 H new ATOM 0 HB3 ARG A 4 1.287 -13.409 10.661 1.00 0.00 H new ATOM 0 HG2 ARG A 4 0.062 -14.580 8.892 1.00 0.00 H new ATOM 0 HG3 ARG A 4 1.394 -15.694 8.655 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -0.149 -16.891 9.991 1.00 0.00 H new ATOM 0 HD3 ARG A 4 1.099 -16.382 11.110 1.00 0.00 H new ATOM 0 HE ARG A 4 -0.974 -14.398 11.059 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -0.194 -17.630 12.272 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -1.411 -17.570 13.551 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -2.556 -14.343 12.667 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -2.749 -15.706 13.774 1.00 0.00 H new ATOM 65 N ASP A 5 4.792 -12.833 9.775 1.00 0.00 N ATOM 66 CA ASP A 5 5.885 -12.073 10.389 1.00 0.00 C ATOM 67 C ASP A 5 6.083 -10.743 9.669 1.00 0.00 C ATOM 68 O ASP A 5 6.170 -9.688 10.302 1.00 0.00 O ATOM 69 CB ASP A 5 7.192 -12.882 10.368 1.00 0.00 C ATOM 70 CG ASP A 5 7.158 -14.079 11.307 1.00 0.00 C ATOM 71 OD1 ASP A 5 6.728 -15.173 10.883 1.00 0.00 O ATOM 72 OD2 ASP A 5 7.558 -13.930 12.480 1.00 0.00 O ATOM 0 H ASP A 5 5.046 -13.782 9.500 1.00 0.00 H new ATOM 0 HA ASP A 5 5.616 -11.875 11.427 1.00 0.00 H new ATOM 0 HB2 ASP A 5 7.384 -13.228 9.352 1.00 0.00 H new ATOM 0 HB3 ASP A 5 8.021 -12.231 10.645 1.00 0.00 H new ATOM 77 N TYR A 6 6.139 -10.808 8.337 1.00 0.00 N ATOM 78 CA TYR A 6 6.257 -9.611 7.509 1.00 0.00 C ATOM 79 C TYR A 6 5.096 -8.662 7.788 1.00 0.00 C ATOM 80 O TYR A 6 5.302 -7.468 8.001 1.00 0.00 O ATOM 81 CB TYR A 6 6.297 -9.985 6.013 1.00 0.00 C ATOM 82 CG TYR A 6 5.716 -8.921 5.091 1.00 0.00 C ATOM 83 CD1 TYR A 6 6.393 -7.730 4.843 1.00 0.00 C ATOM 84 CD2 TYR A 6 4.472 -9.103 4.491 1.00 0.00 C ATOM 85 CE1 TYR A 6 5.847 -6.758 4.026 1.00 0.00 C ATOM 86 CE2 TYR A 6 3.921 -8.133 3.679 1.00 0.00 C ATOM 87 CZ TYR A 6 4.611 -6.964 3.449 1.00 0.00 C ATOM 88 OH TYR A 6 4.060 -5.996 2.646 1.00 0.00 O ATOM 0 H TYR A 6 6.104 -11.680 7.810 1.00 0.00 H new ATOM 0 HA TYR A 6 7.191 -9.108 7.761 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.331 -10.175 5.725 1.00 0.00 H new ATOM 0 HB3 TYR A 6 5.749 -10.916 5.867 1.00 0.00 H new ATOM 0 HD1 TYR A 6 7.359 -7.563 5.296 1.00 0.00 H new ATOM 0 HD2 TYR A 6 3.929 -10.020 4.665 1.00 0.00 H new ATOM 0 HE1 TYR A 6 6.386 -5.841 3.840 1.00 0.00 H new ATOM 0 HE2 TYR A 6 2.953 -8.290 3.226 1.00 0.00 H new ATOM 0 HH TYR A 6 4.653 -5.825 1.885 1.00 0.00 H new ATOM 98 N ASN A 7 3.882 -9.213 7.812 1.00 0.00 N ATOM 99 CA ASN A 7 2.679 -8.407 8.012 1.00 0.00 C ATOM 100 C ASN A 7 2.833 -7.555 9.267 1.00 0.00 C ATOM 101 O ASN A 7 2.987 -6.332 9.191 1.00 0.00 O ATOM 102 CB ASN A 7 1.424 -9.296 8.130 1.00 0.00 C ATOM 103 CG ASN A 7 0.956 -9.897 6.808 1.00 0.00 C ATOM 104 OD1 ASN A 7 -0.239 -10.115 6.612 1.00 0.00 O ATOM 105 ND2 ASN A 7 1.877 -10.176 5.895 1.00 0.00 N ATOM 0 H ASN A 7 3.707 -10.211 7.696 1.00 0.00 H new ATOM 0 HA ASN A 7 2.553 -7.760 7.144 1.00 0.00 H new ATOM 0 HB2 ASN A 7 1.630 -10.105 8.831 1.00 0.00 H new ATOM 0 HB3 ASN A 7 0.613 -8.705 8.555 1.00 0.00 H new ATOM 0 HD21 ASN A 7 1.602 -10.583 5.001 1.00 0.00 H new ATOM 0 HD22 ASN A 7 2.860 -9.984 6.087 1.00 0.00 H new ATOM 112 N ASP A 8 2.851 -8.232 10.411 1.00 0.00 N ATOM 113 CA ASP A 8 2.959 -7.572 11.711 1.00 0.00 C ATOM 114 C ASP A 8 4.183 -6.658 11.771 1.00 0.00 C ATOM 115 O ASP A 8 4.055 -5.427 11.790 1.00 0.00 O ATOM 116 CB ASP A 8 3.026 -8.629 12.829 1.00 0.00 C ATOM 117 CG ASP A 8 3.443 -8.056 14.179 1.00 0.00 C ATOM 118 OD1 ASP A 8 2.628 -7.357 14.817 1.00 0.00 O ATOM 119 OD2 ASP A 8 4.584 -8.327 14.619 1.00 0.00 O ATOM 0 H ASP A 8 2.792 -9.249 10.465 1.00 0.00 H new ATOM 0 HA ASP A 8 2.074 -6.952 11.853 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.050 -9.103 12.930 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.731 -9.409 12.540 1.00 0.00 H new ATOM 124 N ALA A 9 5.365 -7.275 11.743 1.00 0.00 N ATOM 125 CA ALA A 9 6.614 -6.562 11.974 1.00 0.00 C ATOM 126 C ALA A 9 6.800 -5.415 10.987 1.00 0.00 C ATOM 127 O ALA A 9 6.904 -4.252 11.389 1.00 0.00 O ATOM 128 CB ALA A 9 7.796 -7.525 11.893 1.00 0.00 C ATOM 0 H ALA A 9 5.480 -8.272 11.561 1.00 0.00 H new ATOM 0 HA ALA A 9 6.569 -6.133 12.975 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.723 -6.979 12.068 1.00 0.00 H new ATOM 0 HB2 ALA A 9 7.685 -8.302 12.649 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.825 -7.983 10.904 1.00 0.00 H new ATOM 134 N ASP A 10 6.808 -5.742 9.697 1.00 0.00 N ATOM 135 CA ASP A 10 7.140 -4.764 8.667 1.00 0.00 C ATOM 136 C ASP A 10 6.079 -3.674 8.596 1.00 0.00 C ATOM 137 O ASP A 10 6.384 -2.498 8.796 1.00 0.00 O ATOM 138 CB ASP A 10 7.304 -5.444 7.299 1.00 0.00 C ATOM 139 CG ASP A 10 7.815 -4.499 6.218 1.00 0.00 C ATOM 140 OD1 ASP A 10 6.989 -3.824 5.572 1.00 0.00 O ATOM 141 OD2 ASP A 10 9.049 -4.446 6.007 1.00 0.00 O ATOM 0 H ASP A 10 6.589 -6.673 9.342 1.00 0.00 H new ATOM 0 HA ASP A 10 8.090 -4.302 8.935 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.995 -6.282 7.397 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.344 -5.857 6.988 1.00 0.00 H new ATOM 146 N MET A 11 4.817 -4.066 8.378 1.00 0.00 N ATOM 147 CA MET A 11 3.758 -3.088 8.144 1.00 0.00 C ATOM 148 C MET A 11 3.623 -2.143 9.338 1.00 0.00 C ATOM 149 O MET A 11 3.641 -0.917 9.180 1.00 0.00 O ATOM 150 CB MET A 11 2.414 -3.779 7.859 1.00 0.00 C ATOM 151 CG MET A 11 2.405 -4.690 6.625 1.00 0.00 C ATOM 152 SD MET A 11 2.254 -3.799 5.055 1.00 0.00 S ATOM 153 CE MET A 11 3.914 -3.165 4.813 1.00 0.00 C ATOM 0 H MET A 11 4.512 -5.039 8.360 1.00 0.00 H new ATOM 0 HA MET A 11 4.034 -2.506 7.265 1.00 0.00 H new ATOM 0 HB2 MET A 11 2.134 -4.370 8.731 1.00 0.00 H new ATOM 0 HB3 MET A 11 1.648 -3.014 7.733 1.00 0.00 H new ATOM 0 HG2 MET A 11 3.324 -5.276 6.612 1.00 0.00 H new ATOM 0 HG3 MET A 11 1.578 -5.395 6.712 1.00 0.00 H new ATOM 0 HE1 MET A 11 4.241 -3.379 3.795 1.00 0.00 H new ATOM 0 HE2 MET A 11 3.919 -2.087 4.977 1.00 0.00 H new ATOM 0 HE3 MET A 11 4.593 -3.643 5.520 1.00 0.00 H new ATOM 163 N ALA A 12 3.532 -2.713 10.539 1.00 0.00 N ATOM 164 CA ALA A 12 3.307 -1.911 11.736 1.00 0.00 C ATOM 165 C ALA A 12 4.510 -1.020 12.041 1.00 0.00 C ATOM 166 O ALA A 12 4.376 0.196 12.199 1.00 0.00 O ATOM 167 CB ALA A 12 2.993 -2.807 12.928 1.00 0.00 C ATOM 0 H ALA A 12 3.610 -3.716 10.706 1.00 0.00 H new ATOM 0 HA ALA A 12 2.450 -1.265 11.548 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.828 -2.192 13.812 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.096 -3.390 12.719 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.830 -3.482 13.107 1.00 0.00 H new ATOM 173 N ARG A 13 5.693 -1.627 12.092 1.00 0.00 N ATOM 174 CA ARG A 13 6.887 -0.938 12.580 1.00 0.00 C ATOM 175 C ARG A 13 7.535 -0.077 11.495 1.00 0.00 C ATOM 176 O ARG A 13 8.476 0.671 11.772 1.00 0.00 O ATOM 177 CB ARG A 13 7.868 -1.966 13.154 1.00 0.00 C ATOM 178 CG ARG A 13 7.231 -2.798 14.265 1.00 0.00 C ATOM 179 CD ARG A 13 8.096 -3.966 14.720 1.00 0.00 C ATOM 180 NE ARG A 13 7.345 -4.852 15.616 1.00 0.00 N ATOM 181 CZ ARG A 13 7.535 -6.169 15.714 1.00 0.00 C ATOM 182 NH1 ARG A 13 8.532 -6.755 15.061 1.00 0.00 N ATOM 183 NH2 ARG A 13 6.729 -6.900 16.475 1.00 0.00 N ATOM 0 H ARG A 13 5.851 -2.592 11.802 1.00 0.00 H new ATOM 0 HA ARG A 13 6.593 -0.251 13.374 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.211 -2.626 12.357 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.747 -1.452 13.543 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.026 -2.153 15.120 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.271 -3.180 13.917 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.442 -4.528 13.852 1.00 0.00 H new ATOM 0 HD3 ARG A 13 8.982 -3.591 15.231 1.00 0.00 H new ATOM 0 HE ARG A 13 6.627 -4.432 16.206 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.158 -6.198 14.480 1.00 0.00 H new ATOM 0 HH12 ARG A 13 8.671 -7.762 15.141 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.965 -6.455 16.984 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.873 -7.907 16.551 1.00 0.00 H new ATOM 197 N LEU A 14 7.035 -0.181 10.263 1.00 0.00 N ATOM 198 CA LEU A 14 7.447 0.728 9.194 1.00 0.00 C ATOM 199 C LEU A 14 6.509 1.935 9.135 1.00 0.00 C ATOM 200 O LEU A 14 6.958 3.082 9.186 1.00 0.00 O ATOM 201 CB LEU A 14 7.466 0.011 7.834 1.00 0.00 C ATOM 202 CG LEU A 14 7.792 0.898 6.616 1.00 0.00 C ATOM 203 CD1 LEU A 14 9.157 1.565 6.768 1.00 0.00 C ATOM 204 CD2 LEU A 14 7.729 0.079 5.325 1.00 0.00 C ATOM 0 H LEU A 14 6.348 -0.881 9.982 1.00 0.00 H new ATOM 0 HA LEU A 14 8.458 1.070 9.414 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.198 -0.796 7.879 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.492 -0.451 7.674 1.00 0.00 H new ATOM 0 HG LEU A 14 7.041 1.687 6.562 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.359 2.184 5.894 1.00 0.00 H new ATOM 0 HD12 LEU A 14 9.160 2.188 7.662 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.928 0.800 6.857 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.962 0.721 4.475 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.453 -0.734 5.374 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.727 -0.334 5.204 1.00 0.00 H new ATOM 216 N LEU A 15 5.204 1.675 9.058 1.00 0.00 N ATOM 217 CA LEU A 15 4.220 2.753 8.925 1.00 0.00 C ATOM 218 C LEU A 15 4.065 3.527 10.233 1.00 0.00 C ATOM 219 O LEU A 15 3.525 4.637 10.241 1.00 0.00 O ATOM 220 CB LEU A 15 2.870 2.211 8.434 1.00 0.00 C ATOM 221 CG LEU A 15 2.816 1.866 6.932 1.00 0.00 C ATOM 222 CD1 LEU A 15 3.175 3.085 6.083 1.00 0.00 C ATOM 223 CD2 LEU A 15 3.732 0.689 6.597 1.00 0.00 C ATOM 0 H LEU A 15 4.805 0.737 9.085 1.00 0.00 H new ATOM 0 HA LEU A 15 4.591 3.450 8.174 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.624 1.316 9.006 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.098 2.950 8.650 1.00 0.00 H new ATOM 0 HG LEU A 15 1.793 1.570 6.697 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.131 2.819 5.027 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.468 3.890 6.284 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.183 3.417 6.331 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.670 0.472 5.531 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.760 0.942 6.857 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.420 -0.188 7.164 1.00 0.00 H new ATOM 235 N GLU A 16 4.557 2.942 11.327 1.00 0.00 N ATOM 236 CA GLU A 16 4.671 3.644 12.605 1.00 0.00 C ATOM 237 C GLU A 16 5.333 5.010 12.382 1.00 0.00 C ATOM 238 O GLU A 16 4.918 6.038 12.940 1.00 0.00 O ATOM 239 CB GLU A 16 5.533 2.804 13.567 1.00 0.00 C ATOM 240 CG GLU A 16 5.606 3.338 14.995 1.00 0.00 C ATOM 241 CD GLU A 16 4.392 2.963 15.831 1.00 0.00 C ATOM 242 OE1 GLU A 16 3.386 3.691 15.787 1.00 0.00 O ATOM 243 OE2 GLU A 16 4.450 1.936 16.544 1.00 0.00 O ATOM 0 H GLU A 16 4.885 1.976 11.352 1.00 0.00 H new ATOM 0 HA GLU A 16 3.680 3.790 13.034 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.138 1.789 13.594 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.544 2.742 13.165 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.505 2.952 15.476 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.700 4.424 14.967 1.00 0.00 H new ATOM 250 N GLN A 17 6.353 5.006 11.524 1.00 0.00 N ATOM 251 CA GLN A 17 7.116 6.206 11.212 1.00 0.00 C ATOM 252 C GLN A 17 6.264 7.209 10.434 1.00 0.00 C ATOM 253 O GLN A 17 6.327 8.409 10.690 1.00 0.00 O ATOM 254 CB GLN A 17 8.372 5.837 10.415 1.00 0.00 C ATOM 255 CG GLN A 17 9.232 7.032 10.024 1.00 0.00 C ATOM 256 CD GLN A 17 10.530 6.618 9.358 1.00 0.00 C ATOM 257 OE1 GLN A 17 11.546 6.433 10.027 1.00 0.00 O ATOM 258 NE2 GLN A 17 10.506 6.466 8.043 1.00 0.00 N ATOM 0 H GLN A 17 6.670 4.172 11.029 1.00 0.00 H new ATOM 0 HA GLN A 17 7.417 6.676 12.148 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.974 5.147 11.005 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.073 5.306 9.511 1.00 0.00 H new ATOM 0 HG2 GLN A 17 8.669 7.675 9.348 1.00 0.00 H new ATOM 0 HG3 GLN A 17 9.455 7.622 10.913 1.00 0.00 H new ATOM 0 HE21 GLN A 17 9.642 6.630 7.526 1.00 0.00 H new ATOM 0 HE22 GLN A 17 11.352 6.185 7.547 1.00 0.00 H new ATOM 267 N TRP A 18 5.456 6.714 9.500 1.00 0.00 N ATOM 268 CA TRP A 18 4.598 7.585 8.693 1.00 0.00 C ATOM 269 C TRP A 18 3.623 8.358 9.580 1.00 0.00 C ATOM 270 O TRP A 18 3.388 9.556 9.372 1.00 0.00 O ATOM 271 CB TRP A 18 3.846 6.770 7.626 1.00 0.00 C ATOM 272 CG TRP A 18 4.479 6.857 6.270 1.00 0.00 C ATOM 273 CD1 TRP A 18 5.593 6.196 5.828 1.00 0.00 C ATOM 274 CD2 TRP A 18 4.038 7.673 5.180 1.00 0.00 C ATOM 275 NE1 TRP A 18 5.868 6.556 4.530 1.00 0.00 N ATOM 276 CE2 TRP A 18 4.928 7.461 4.113 1.00 0.00 C ATOM 277 CE3 TRP A 18 2.976 8.565 5.005 1.00 0.00 C ATOM 278 CZ2 TRP A 18 4.787 8.107 2.888 1.00 0.00 C ATOM 279 CZ3 TRP A 18 2.835 9.205 3.789 1.00 0.00 C ATOM 280 CH2 TRP A 18 3.739 8.974 2.744 1.00 0.00 C ATOM 0 H TRP A 18 5.376 5.721 9.282 1.00 0.00 H new ATOM 0 HA TRP A 18 5.231 8.309 8.180 1.00 0.00 H new ATOM 0 HB2 TRP A 18 3.805 5.726 7.936 1.00 0.00 H new ATOM 0 HB3 TRP A 18 2.817 7.124 7.564 1.00 0.00 H new ATOM 0 HD1 TRP A 18 6.171 5.495 6.413 1.00 0.00 H new ATOM 0 HE1 TRP A 18 6.645 6.206 3.969 1.00 0.00 H new ATOM 0 HE3 TRP A 18 2.277 8.751 5.807 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 5.481 7.930 2.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.016 9.893 3.642 1.00 0.00 H new ATOM 0 HH2 TRP A 18 3.606 9.491 1.805 1.00 0.00 H new ATOM 291 N GLU A 19 3.068 7.670 10.573 1.00 0.00 N ATOM 292 CA GLU A 19 2.220 8.317 11.568 1.00 0.00 C ATOM 293 C GLU A 19 3.033 9.378 12.301 1.00 0.00 C ATOM 294 O GLU A 19 2.597 10.520 12.454 1.00 0.00 O ATOM 295 CB GLU A 19 1.673 7.285 12.561 1.00 0.00 C ATOM 296 CG GLU A 19 0.837 6.187 11.914 1.00 0.00 C ATOM 297 CD GLU A 19 0.342 5.164 12.924 1.00 0.00 C ATOM 298 OE1 GLU A 19 -0.715 5.399 13.547 1.00 0.00 O ATOM 299 OE2 GLU A 19 1.020 4.135 13.116 1.00 0.00 O ATOM 0 H GLU A 19 3.190 6.667 10.710 1.00 0.00 H new ATOM 0 HA GLU A 19 1.373 8.787 11.069 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.508 6.827 13.091 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.066 7.799 13.306 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.017 6.636 11.407 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.431 5.683 11.152 1.00 0.00 H new ATOM 306 N LYS A 20 4.237 8.983 12.715 1.00 0.00 N ATOM 307 CA LYS A 20 5.174 9.886 13.383 1.00 0.00 C ATOM 308 C LYS A 20 5.393 11.171 12.569 1.00 0.00 C ATOM 309 O LYS A 20 5.361 12.269 13.122 1.00 0.00 O ATOM 310 CB LYS A 20 6.496 9.132 13.676 1.00 0.00 C ATOM 311 CG LYS A 20 7.779 9.976 13.687 1.00 0.00 C ATOM 312 CD LYS A 20 8.451 10.007 12.309 1.00 0.00 C ATOM 313 CE LYS A 20 9.826 10.666 12.345 1.00 0.00 C ATOM 314 NZ LYS A 20 10.439 10.747 10.991 1.00 0.00 N ATOM 0 H LYS A 20 4.589 8.033 12.598 1.00 0.00 H new ATOM 0 HA LYS A 20 4.750 10.206 14.335 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.402 8.642 14.645 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.612 8.345 12.931 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.542 10.993 13.999 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.475 9.571 14.422 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.549 8.989 11.933 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.812 10.545 11.609 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.737 11.668 12.764 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.482 10.101 13.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.316 11.305 11.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.657 9.789 10.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.774 11.204 10.335 1.00 0.00 H new ATOM 328 N ASP A 21 5.579 11.031 11.256 1.00 0.00 N ATOM 329 CA ASP A 21 5.839 12.184 10.385 1.00 0.00 C ATOM 330 C ASP A 21 4.617 13.101 10.293 1.00 0.00 C ATOM 331 O ASP A 21 4.739 14.326 10.403 1.00 0.00 O ATOM 332 CB ASP A 21 6.269 11.735 8.977 1.00 0.00 C ATOM 333 CG ASP A 21 7.682 11.165 8.950 1.00 0.00 C ATOM 334 OD1 ASP A 21 8.639 11.931 9.199 1.00 0.00 O ATOM 335 OD2 ASP A 21 7.847 9.954 8.694 1.00 0.00 O ATOM 0 H ASP A 21 5.555 10.134 10.771 1.00 0.00 H new ATOM 0 HA ASP A 21 6.658 12.746 10.834 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.571 10.983 8.610 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.210 12.583 8.295 1.00 0.00 H new ATOM 340 N ASP A 22 3.441 12.508 10.091 1.00 0.00 N ATOM 341 CA ASP A 22 2.192 13.281 10.017 1.00 0.00 C ATOM 342 C ASP A 22 1.973 14.083 11.309 1.00 0.00 C ATOM 343 O ASP A 22 1.591 15.262 11.268 1.00 0.00 O ATOM 344 CB ASP A 22 1.008 12.343 9.733 1.00 0.00 C ATOM 345 CG ASP A 22 -0.351 13.032 9.820 1.00 0.00 C ATOM 346 OD1 ASP A 22 -0.800 13.617 8.810 1.00 0.00 O ATOM 347 OD2 ASP A 22 -0.999 12.952 10.885 1.00 0.00 O ATOM 0 H ASP A 22 3.322 11.502 9.976 1.00 0.00 H new ATOM 0 HA ASP A 22 2.266 13.994 9.196 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.126 11.914 8.738 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.033 11.515 10.442 1.00 0.00 H new ATOM 352 N ASP A 23 2.256 13.455 12.452 1.00 0.00 N ATOM 353 CA ASP A 23 2.135 14.126 13.750 1.00 0.00 C ATOM 354 C ASP A 23 3.186 15.229 13.891 1.00 0.00 C ATOM 355 O ASP A 23 2.921 16.280 14.483 1.00 0.00 O ATOM 356 CB ASP A 23 2.259 13.130 14.912 1.00 0.00 C ATOM 357 CG ASP A 23 1.016 12.268 15.100 1.00 0.00 C ATOM 358 OD1 ASP A 23 -0.037 12.810 15.496 1.00 0.00 O ATOM 359 OD2 ASP A 23 1.086 11.043 14.869 1.00 0.00 O ATOM 0 H ASP A 23 2.570 12.486 12.507 1.00 0.00 H new ATOM 0 HA ASP A 23 1.143 14.576 13.792 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.119 12.483 14.737 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.455 13.679 15.833 1.00 0.00 H new ATOM 364 N ILE A 24 4.384 14.995 13.350 1.00 0.00 N ATOM 365 CA ILE A 24 5.426 16.020 13.340 1.00 0.00 C ATOM 366 C ILE A 24 4.924 17.264 12.611 1.00 0.00 C ATOM 367 O ILE A 24 5.122 18.389 13.073 1.00 0.00 O ATOM 368 CB ILE A 24 6.741 15.525 12.676 1.00 0.00 C ATOM 369 CG1 ILE A 24 7.418 14.457 13.549 1.00 0.00 C ATOM 370 CG2 ILE A 24 7.701 16.691 12.420 1.00 0.00 C ATOM 371 CD1 ILE A 24 8.712 13.927 12.968 1.00 0.00 C ATOM 0 H ILE A 24 4.654 14.112 12.917 1.00 0.00 H new ATOM 0 HA ILE A 24 5.652 16.257 14.379 1.00 0.00 H new ATOM 0 HB ILE A 24 6.485 15.079 11.715 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.618 14.879 14.534 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.727 13.626 13.692 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.613 16.316 11.955 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.226 17.414 11.757 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.948 17.173 13.366 1.00 0.00 H new ATOM 0 HD11 ILE A 24 9.132 13.178 13.639 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.516 13.475 11.996 1.00 0.00 H new ATOM 0 HD13 ILE A 24 9.421 14.747 12.850 1.00 0.00 H new ATOM 383 N GLU A 25 4.257 17.054 11.478 1.00 0.00 N ATOM 384 CA GLU A 25 3.692 18.156 10.704 1.00 0.00 C ATOM 385 C GLU A 25 2.616 18.867 11.530 1.00 0.00 C ATOM 386 O GLU A 25 2.488 20.092 11.487 1.00 0.00 O ATOM 387 CB GLU A 25 3.107 17.637 9.380 1.00 0.00 C ATOM 388 CG GLU A 25 3.196 18.626 8.219 1.00 0.00 C ATOM 389 CD GLU A 25 2.456 19.936 8.464 1.00 0.00 C ATOM 390 OE1 GLU A 25 1.208 19.946 8.393 1.00 0.00 O ATOM 391 OE2 GLU A 25 3.119 20.962 8.724 1.00 0.00 O ATOM 0 H GLU A 25 4.095 16.131 11.076 1.00 0.00 H new ATOM 0 HA GLU A 25 4.482 18.869 10.468 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.628 16.721 9.101 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.061 17.374 9.538 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.245 18.845 8.021 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.794 18.155 7.322 1.00 0.00 H new ATOM 398 N GLU A 26 1.851 18.082 12.290 1.00 0.00 N ATOM 399 CA GLU A 26 0.861 18.632 13.227 1.00 0.00 C ATOM 400 C GLU A 26 1.523 19.594 14.220 1.00 0.00 C ATOM 401 O GLU A 26 0.863 20.472 14.788 1.00 0.00 O ATOM 402 CB GLU A 26 0.155 17.499 13.990 1.00 0.00 C ATOM 403 CG GLU A 26 -0.913 17.982 14.969 1.00 0.00 C ATOM 404 CD GLU A 26 -1.567 16.848 15.744 1.00 0.00 C ATOM 405 OE1 GLU A 26 -2.217 15.992 15.110 1.00 0.00 O ATOM 406 OE2 GLU A 26 -1.441 16.809 16.987 1.00 0.00 O ATOM 0 H GLU A 26 1.895 17.063 12.278 1.00 0.00 H new ATOM 0 HA GLU A 26 0.122 19.185 12.648 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.306 16.822 13.270 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.901 16.923 14.537 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.463 18.683 15.672 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.680 18.529 14.421 1.00 0.00 H new ATOM 413 N GLY A 27 2.831 19.439 14.405 1.00 0.00 N ATOM 414 CA GLY A 27 3.561 20.264 15.349 1.00 0.00 C ATOM 415 C GLY A 27 3.550 19.685 16.748 1.00 0.00 C ATOM 416 O GLY A 27 3.564 20.425 17.733 1.00 0.00 O ATOM 0 H GLY A 27 3.401 18.751 13.913 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.592 20.373 15.012 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.125 21.263 15.368 1.00 0.00 H new ATOM 420 N ASP A 28 3.517 18.359 16.842 1.00 0.00 N ATOM 421 CA ASP A 28 3.530 17.677 18.133 1.00 0.00 C ATOM 422 C ASP A 28 4.392 16.422 18.054 1.00 0.00 C ATOM 423 O ASP A 28 4.235 15.616 17.139 1.00 0.00 O ATOM 424 CB ASP A 28 2.099 17.314 18.560 1.00 0.00 C ATOM 425 CG ASP A 28 2.010 16.922 20.027 1.00 0.00 C ATOM 426 OD1 ASP A 28 1.855 17.829 20.876 1.00 0.00 O ATOM 427 OD2 ASP A 28 2.092 15.717 20.345 1.00 0.00 O ATOM 0 H ASP A 28 3.481 17.733 16.037 1.00 0.00 H new ATOM 0 HA ASP A 28 3.955 18.349 18.879 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.441 18.163 18.374 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.738 16.490 17.945 1.00 0.00 H new ATOM 432 N LEU A 29 5.319 16.275 19.001 1.00 0.00 N ATOM 433 CA LEU A 29 6.211 15.116 19.038 1.00 0.00 C ATOM 434 C LEU A 29 5.447 13.864 19.480 1.00 0.00 C ATOM 435 O LEU A 29 5.077 13.739 20.652 1.00 0.00 O ATOM 436 CB LEU A 29 7.408 15.369 19.975 1.00 0.00 C ATOM 437 CG LEU A 29 8.475 16.355 19.456 1.00 0.00 C ATOM 438 CD1 LEU A 29 9.021 15.900 18.103 1.00 0.00 C ATOM 439 CD2 LEU A 29 7.925 17.779 19.371 1.00 0.00 C ATOM 0 H LEU A 29 5.472 16.946 19.754 1.00 0.00 H new ATOM 0 HA LEU A 29 6.595 14.955 18.030 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.028 15.743 20.925 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.893 14.414 20.179 1.00 0.00 H new ATOM 0 HG LEU A 29 9.297 16.361 20.172 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.772 16.610 17.756 1.00 0.00 H new ATOM 0 HD12 LEU A 29 9.474 14.914 18.206 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.207 15.851 17.380 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.702 18.448 19.002 1.00 0.00 H new ATOM 0 HD22 LEU A 29 7.074 17.800 18.690 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.605 18.105 20.361 1.00 0.00 H new ATOM 451 N LEU A 62 -5.278 8.054 4.581 1.00 0.00 N ATOM 452 CA LEU A 62 -5.470 7.065 3.533 1.00 0.00 C ATOM 453 C LEU A 62 -4.141 6.400 3.169 1.00 0.00 C ATOM 454 O LEU A 62 -3.325 6.953 2.425 1.00 0.00 O ATOM 455 CB LEU A 62 -6.117 7.726 2.295 1.00 0.00 C ATOM 456 CG LEU A 62 -6.774 6.774 1.268 1.00 0.00 C ATOM 457 CD1 LEU A 62 -5.739 5.972 0.480 1.00 0.00 C ATOM 458 CD2 LEU A 62 -7.762 5.835 1.959 1.00 0.00 C ATOM 0 HA LEU A 62 -6.141 6.288 3.900 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.874 8.430 2.641 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.352 8.308 1.780 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.315 7.396 0.555 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.248 5.318 -0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.085 6.655 -0.062 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.145 5.370 1.167 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.213 5.174 1.219 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.237 5.240 2.706 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.542 6.421 2.445 1.00 0.00 H new ATOM 470 N MET A 63 -3.924 5.217 3.727 1.00 0.00 N ATOM 471 CA MET A 63 -2.860 4.324 3.287 1.00 0.00 C ATOM 472 C MET A 63 -3.448 2.928 3.146 1.00 0.00 C ATOM 473 O MET A 63 -4.231 2.492 3.995 1.00 0.00 O ATOM 474 CB MET A 63 -1.671 4.308 4.269 1.00 0.00 C ATOM 475 CG MET A 63 -1.086 5.685 4.569 1.00 0.00 C ATOM 476 SD MET A 63 0.488 5.604 5.455 1.00 0.00 S ATOM 477 CE MET A 63 0.021 4.700 6.930 1.00 0.00 C ATOM 0 H MET A 63 -4.481 4.849 4.498 1.00 0.00 H new ATOM 0 HA MET A 63 -2.470 4.679 2.333 1.00 0.00 H new ATOM 0 HB2 MET A 63 -1.994 3.852 5.205 1.00 0.00 H new ATOM 0 HB3 MET A 63 -0.885 3.674 3.859 1.00 0.00 H new ATOM 0 HG2 MET A 63 -0.943 6.225 3.633 1.00 0.00 H new ATOM 0 HG3 MET A 63 -1.801 6.257 5.161 1.00 0.00 H new ATOM 0 HE1 MET A 63 0.348 5.250 7.813 1.00 0.00 H new ATOM 0 HE2 MET A 63 -1.062 4.582 6.957 1.00 0.00 H new ATOM 0 HE3 MET A 63 0.493 3.718 6.919 1.00 0.00 H new ATOM 487 N MET A 64 -3.106 2.239 2.068 1.00 0.00 N ATOM 488 CA MET A 64 -3.693 0.938 1.778 1.00 0.00 C ATOM 489 C MET A 64 -2.631 -0.150 1.748 1.00 0.00 C ATOM 490 O MET A 64 -1.709 -0.113 0.932 1.00 0.00 O ATOM 491 CB MET A 64 -4.450 0.980 0.443 1.00 0.00 C ATOM 492 CG MET A 64 -5.649 1.921 0.451 1.00 0.00 C ATOM 493 SD MET A 64 -6.609 1.842 -1.073 1.00 0.00 S ATOM 494 CE MET A 64 -7.954 2.961 -0.683 1.00 0.00 C ATOM 0 H MET A 64 -2.425 2.558 1.379 1.00 0.00 H new ATOM 0 HA MET A 64 -4.396 0.701 2.576 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.763 1.287 -0.345 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.790 -0.026 0.196 1.00 0.00 H new ATOM 0 HG2 MET A 64 -6.294 1.674 1.294 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.302 2.943 0.604 1.00 0.00 H new ATOM 0 HE1 MET A 64 -8.904 2.433 -0.771 1.00 0.00 H new ATOM 0 HE2 MET A 64 -7.837 3.330 0.336 1.00 0.00 H new ATOM 0 HE3 MET A 64 -7.941 3.802 -1.377 1.00 0.00 H new ATOM 504 N PHE A 65 -2.765 -1.104 2.660 1.00 0.00 N ATOM 505 CA PHE A 65 -1.931 -2.298 2.677 1.00 0.00 C ATOM 506 C PHE A 65 -2.620 -3.364 1.831 1.00 0.00 C ATOM 507 O PHE A 65 -3.595 -3.979 2.278 1.00 0.00 O ATOM 508 CB PHE A 65 -1.750 -2.812 4.116 1.00 0.00 C ATOM 509 CG PHE A 65 -1.358 -1.750 5.118 1.00 0.00 C ATOM 510 CD1 PHE A 65 -2.311 -0.893 5.656 1.00 0.00 C ATOM 511 CD2 PHE A 65 -0.041 -1.616 5.533 1.00 0.00 C ATOM 512 CE1 PHE A 65 -1.958 0.072 6.579 1.00 0.00 C ATOM 513 CE2 PHE A 65 0.316 -0.652 6.456 1.00 0.00 C ATOM 514 CZ PHE A 65 -0.642 0.192 6.980 1.00 0.00 C ATOM 0 H PHE A 65 -3.456 -1.071 3.410 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.944 -2.066 2.276 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.681 -3.275 4.442 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.989 -3.592 4.116 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.342 -0.983 5.348 1.00 0.00 H new ATOM 0 HD2 PHE A 65 0.715 -2.274 5.129 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.710 0.732 6.986 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.346 -0.559 6.768 1.00 0.00 H new ATOM 0 HZ PHE A 65 -0.363 0.945 7.702 1.00 0.00 H new ATOM 524 N VAL A 66 -2.153 -3.558 0.605 1.00 0.00 N ATOM 525 CA VAL A 66 -2.833 -4.438 -0.338 1.00 0.00 C ATOM 526 C VAL A 66 -2.275 -5.857 -0.272 1.00 0.00 C ATOM 527 O VAL A 66 -1.152 -6.114 -0.721 1.00 0.00 O ATOM 528 CB VAL A 66 -2.707 -3.908 -1.788 1.00 0.00 C ATOM 529 CG1 VAL A 66 -3.619 -4.689 -2.738 1.00 0.00 C ATOM 530 CG2 VAL A 66 -3.008 -2.410 -1.842 1.00 0.00 C ATOM 0 H VAL A 66 -1.308 -3.119 0.240 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.885 -4.456 -0.054 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.679 -4.058 -2.118 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.512 -4.297 -3.749 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.340 -5.743 -2.726 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.655 -4.584 -2.416 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.914 -2.057 -2.869 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.023 -2.230 -1.488 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.302 -1.874 -1.208 1.00 0.00 H new ATOM 540 N THR A 67 -3.061 -6.757 0.315 1.00 0.00 N ATOM 541 CA THR A 67 -2.742 -8.177 0.359 1.00 0.00 C ATOM 542 C THR A 67 -3.179 -8.842 -0.944 1.00 0.00 C ATOM 543 O THR A 67 -4.377 -8.996 -1.203 1.00 0.00 O ATOM 544 CB THR A 67 -3.445 -8.867 1.551 1.00 0.00 C ATOM 545 OG1 THR A 67 -3.033 -8.245 2.775 1.00 0.00 O ATOM 546 CG2 THR A 67 -3.125 -10.359 1.605 1.00 0.00 C ATOM 0 H THR A 67 -3.940 -6.518 0.774 1.00 0.00 H new ATOM 0 HA THR A 67 -1.664 -8.282 0.486 1.00 0.00 H new ATOM 0 HB THR A 67 -4.521 -8.757 1.417 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.480 -8.681 3.530 1.00 0.00 H new ATOM 0 HG21 THR A 67 -3.636 -10.810 2.455 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.461 -10.837 0.685 1.00 0.00 H new ATOM 0 HG23 THR A 67 -2.049 -10.497 1.714 1.00 0.00 H new ATOM 554 N VAL A 68 -2.210 -9.212 -1.768 1.00 0.00 N ATOM 555 CA VAL A 68 -2.498 -9.756 -3.088 1.00 0.00 C ATOM 556 C VAL A 68 -2.378 -11.277 -3.105 1.00 0.00 C ATOM 557 O VAL A 68 -3.347 -11.987 -3.383 1.00 0.00 O ATOM 558 CB VAL A 68 -1.540 -9.167 -4.156 1.00 0.00 C ATOM 559 CG1 VAL A 68 -1.912 -9.660 -5.555 1.00 0.00 C ATOM 560 CG2 VAL A 68 -1.537 -7.641 -4.097 1.00 0.00 C ATOM 0 H VAL A 68 -1.217 -9.146 -1.546 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.524 -9.476 -3.325 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.531 -9.516 -3.936 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.225 -9.233 -6.286 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.846 -10.748 -5.587 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -2.931 -9.352 -5.791 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.858 -7.249 -4.855 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.544 -7.268 -4.284 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.207 -7.316 -3.111 1.00 0.00 H new ATOM 570 N SER A 69 -1.186 -11.769 -2.800 1.00 0.00 N ATOM 571 CA SER A 69 -0.862 -13.173 -3.007 1.00 0.00 C ATOM 572 C SER A 69 -1.117 -14.032 -1.772 1.00 0.00 C ATOM 573 O SER A 69 -1.918 -14.971 -1.806 1.00 0.00 O ATOM 574 CB SER A 69 0.599 -13.295 -3.431 1.00 0.00 C ATOM 575 OG SER A 69 1.462 -12.743 -2.450 1.00 0.00 O ATOM 0 H SER A 69 -0.425 -11.215 -2.407 1.00 0.00 H new ATOM 0 HA SER A 69 -1.522 -13.547 -3.790 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.848 -14.344 -3.591 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.749 -12.783 -4.382 1.00 0.00 H new ATOM 0 HG SER A 69 1.950 -11.985 -2.833 1.00 0.00 H new ATOM 581 N GLY A 70 -0.430 -13.705 -0.687 1.00 0.00 N ATOM 582 CA GLY A 70 -0.321 -14.624 0.428 1.00 0.00 C ATOM 583 C GLY A 70 0.616 -15.763 0.075 1.00 0.00 C ATOM 584 O GLY A 70 0.575 -16.838 0.677 1.00 0.00 O ATOM 0 H GLY A 70 0.055 -12.817 -0.559 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.049 -14.098 1.308 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.305 -15.018 0.682 1.00 0.00 H new ATOM 588 N ASN A 71 1.453 -15.518 -0.938 1.00 0.00 N ATOM 589 CA ASN A 71 2.375 -16.521 -1.464 1.00 0.00 C ATOM 590 C ASN A 71 3.802 -15.953 -1.492 1.00 0.00 C ATOM 591 O ASN A 71 4.015 -14.835 -1.957 1.00 0.00 O ATOM 592 CB ASN A 71 1.922 -16.956 -2.868 1.00 0.00 C ATOM 593 CG ASN A 71 2.688 -18.156 -3.396 1.00 0.00 C ATOM 594 OD1 ASN A 71 3.728 -17.908 -4.167 1.00 0.00 O flip ATOM 595 ND2 ASN A 71 2.331 -19.305 -3.128 1.00 0.00 N flip ATOM 0 H ASN A 71 1.508 -14.618 -1.414 1.00 0.00 H new ATOM 0 HA ASN A 71 2.371 -17.398 -0.817 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.859 -17.194 -2.843 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.046 -16.121 -3.558 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.521 -19.460 -2.528 1.00 0.00 H new ATOM 0 HD22 ASN A 71 2.845 -20.100 -3.506 1.00 0.00 H new ATOM 602 N PRO A 72 4.800 -16.724 -1.004 1.00 0.00 N ATOM 603 CA PRO A 72 6.175 -16.229 -0.790 1.00 0.00 C ATOM 604 C PRO A 72 6.921 -15.828 -2.074 1.00 0.00 C ATOM 605 O PRO A 72 7.914 -15.098 -2.004 1.00 0.00 O ATOM 606 CB PRO A 72 6.888 -17.407 -0.095 1.00 0.00 C ATOM 607 CG PRO A 72 5.797 -18.313 0.371 1.00 0.00 C ATOM 608 CD PRO A 72 4.672 -18.139 -0.609 1.00 0.00 C ATOM 0 HA PRO A 72 6.157 -15.307 -0.208 1.00 0.00 H new ATOM 0 HB2 PRO A 72 7.558 -17.921 -0.783 1.00 0.00 H new ATOM 0 HB3 PRO A 72 7.495 -17.060 0.742 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.135 -19.349 0.399 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.479 -18.054 1.381 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.773 -18.808 -1.463 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.703 -18.346 -0.154 1.00 0.00 H new ATOM 616 N THR A 73 6.462 -16.302 -3.232 1.00 0.00 N ATOM 617 CA THR A 73 7.153 -16.036 -4.496 1.00 0.00 C ATOM 618 C THR A 73 7.208 -14.533 -4.810 1.00 0.00 C ATOM 619 O THR A 73 6.208 -13.824 -4.702 1.00 0.00 O ATOM 620 CB THR A 73 6.488 -16.792 -5.672 1.00 0.00 C ATOM 621 OG1 THR A 73 5.092 -16.486 -5.723 1.00 0.00 O ATOM 622 CG2 THR A 73 6.676 -18.300 -5.532 1.00 0.00 C ATOM 0 H THR A 73 5.619 -16.869 -3.322 1.00 0.00 H new ATOM 0 HA THR A 73 8.174 -16.400 -4.377 1.00 0.00 H new ATOM 0 HB THR A 73 6.968 -16.468 -6.596 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.580 -17.228 -5.339 1.00 0.00 H new ATOM 0 HG21 THR A 73 6.199 -18.806 -6.372 1.00 0.00 H new ATOM 0 HG22 THR A 73 7.740 -18.535 -5.524 1.00 0.00 H new ATOM 0 HG23 THR A 73 6.223 -18.638 -4.600 1.00 0.00 H new ATOM 630 N GLU A 74 8.390 -14.064 -5.200 1.00 0.00 N ATOM 631 CA GLU A 74 8.629 -12.643 -5.483 1.00 0.00 C ATOM 632 C GLU A 74 7.769 -12.163 -6.657 1.00 0.00 C ATOM 633 O GLU A 74 7.373 -10.989 -6.728 1.00 0.00 O ATOM 634 CB GLU A 74 10.113 -12.438 -5.809 1.00 0.00 C ATOM 635 CG GLU A 74 11.051 -13.076 -4.787 1.00 0.00 C ATOM 636 CD GLU A 74 12.501 -13.099 -5.244 1.00 0.00 C ATOM 637 OE1 GLU A 74 12.763 -13.559 -6.377 1.00 0.00 O ATOM 638 OE2 GLU A 74 13.386 -12.690 -4.462 1.00 0.00 O ATOM 0 H GLU A 74 9.212 -14.654 -5.330 1.00 0.00 H new ATOM 0 HA GLU A 74 8.356 -12.060 -4.603 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.322 -12.856 -6.794 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.321 -11.370 -5.865 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.981 -12.529 -3.847 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.722 -14.096 -4.588 1.00 0.00 H new ATOM 645 N LYS A 75 7.472 -13.101 -7.555 1.00 0.00 N ATOM 646 CA LYS A 75 6.734 -12.821 -8.786 1.00 0.00 C ATOM 647 C LYS A 75 5.428 -12.097 -8.483 1.00 0.00 C ATOM 648 O LYS A 75 5.024 -11.194 -9.214 1.00 0.00 O ATOM 649 CB LYS A 75 6.428 -14.126 -9.552 1.00 0.00 C ATOM 650 CG LYS A 75 7.654 -14.866 -10.102 1.00 0.00 C ATOM 651 CD LYS A 75 8.523 -15.472 -8.999 1.00 0.00 C ATOM 652 CE LYS A 75 9.695 -16.270 -9.564 1.00 0.00 C ATOM 653 NZ LYS A 75 10.603 -15.437 -10.402 1.00 0.00 N ATOM 0 H LYS A 75 7.737 -14.080 -7.449 1.00 0.00 H new ATOM 0 HA LYS A 75 7.361 -12.181 -9.406 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.886 -14.799 -8.888 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.762 -13.893 -10.383 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.324 -15.658 -10.774 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.255 -14.175 -10.694 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.902 -14.676 -8.359 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.912 -16.121 -8.372 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.263 -16.706 -8.742 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.312 -17.098 -10.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.450 -15.988 -10.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.109 -15.153 -11.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.885 -14.588 -9.871 1.00 0.00 H new ATOM 667 N GLU A 76 4.791 -12.489 -7.385 1.00 0.00 N ATOM 668 CA GLU A 76 3.482 -11.964 -7.016 1.00 0.00 C ATOM 669 C GLU A 76 3.510 -10.438 -6.942 1.00 0.00 C ATOM 670 O GLU A 76 2.915 -9.749 -7.779 1.00 0.00 O ATOM 671 CB GLU A 76 3.046 -12.539 -5.661 1.00 0.00 C ATOM 672 CG GLU A 76 3.273 -14.040 -5.513 1.00 0.00 C ATOM 673 CD GLU A 76 2.593 -14.864 -6.593 1.00 0.00 C ATOM 674 OE1 GLU A 76 1.414 -15.227 -6.418 1.00 0.00 O ATOM 675 OE2 GLU A 76 3.243 -15.161 -7.617 1.00 0.00 O ATOM 0 H GLU A 76 5.165 -13.175 -6.730 1.00 0.00 H new ATOM 0 HA GLU A 76 2.767 -12.263 -7.783 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.588 -12.022 -4.869 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.987 -12.327 -5.514 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.344 -14.241 -5.533 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.907 -14.361 -4.538 1.00 0.00 H new ATOM 682 N THR A 77 4.230 -9.922 -5.946 1.00 0.00 N ATOM 683 CA THR A 77 4.284 -8.489 -5.697 1.00 0.00 C ATOM 684 C THR A 77 4.941 -7.757 -6.865 1.00 0.00 C ATOM 685 O THR A 77 4.503 -6.670 -7.247 1.00 0.00 O ATOM 686 CB THR A 77 5.028 -8.164 -4.375 1.00 0.00 C ATOM 687 OG1 THR A 77 4.876 -6.776 -4.044 1.00 0.00 O ATOM 688 CG2 THR A 77 6.515 -8.506 -4.464 1.00 0.00 C ATOM 0 H THR A 77 4.785 -10.481 -5.298 1.00 0.00 H new ATOM 0 HA THR A 77 3.256 -8.141 -5.598 1.00 0.00 H new ATOM 0 HB THR A 77 4.582 -8.778 -3.593 1.00 0.00 H new ATOM 0 HG1 THR A 77 4.450 -6.694 -3.165 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.001 -8.264 -3.519 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.632 -9.570 -4.670 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.974 -7.928 -5.266 1.00 0.00 H new ATOM 696 N GLU A 78 5.980 -8.363 -7.450 1.00 0.00 N ATOM 697 CA GLU A 78 6.680 -7.746 -8.574 1.00 0.00 C ATOM 698 C GLU A 78 5.709 -7.464 -9.723 1.00 0.00 C ATOM 699 O GLU A 78 5.490 -6.304 -10.097 1.00 0.00 O ATOM 700 CB GLU A 78 7.834 -8.640 -9.057 1.00 0.00 C ATOM 701 CG GLU A 78 8.574 -8.082 -10.271 1.00 0.00 C ATOM 702 CD GLU A 78 9.761 -8.935 -10.691 1.00 0.00 C ATOM 703 OE1 GLU A 78 9.549 -10.083 -11.129 1.00 0.00 O ATOM 704 OE2 GLU A 78 10.913 -8.456 -10.586 1.00 0.00 O ATOM 0 H GLU A 78 6.349 -9.270 -7.165 1.00 0.00 H new ATOM 0 HA GLU A 78 7.099 -6.800 -8.233 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.543 -8.776 -8.241 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.440 -9.626 -9.304 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.879 -8.001 -11.107 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.921 -7.074 -10.046 1.00 0.00 H new ATOM 711 N GLU A 79 5.111 -8.527 -10.254 1.00 0.00 N ATOM 712 CA GLU A 79 4.233 -8.425 -11.414 1.00 0.00 C ATOM 713 C GLU A 79 3.030 -7.529 -11.121 1.00 0.00 C ATOM 714 O GLU A 79 2.738 -6.602 -11.883 1.00 0.00 O ATOM 715 CB GLU A 79 3.763 -9.821 -11.857 1.00 0.00 C ATOM 716 CG GLU A 79 4.903 -10.759 -12.251 1.00 0.00 C ATOM 717 CD GLU A 79 4.416 -12.136 -12.685 1.00 0.00 C ATOM 718 OE1 GLU A 79 4.088 -12.964 -11.812 1.00 0.00 O ATOM 719 OE2 GLU A 79 4.350 -12.394 -13.911 1.00 0.00 O ATOM 0 H GLU A 79 5.220 -9.476 -9.895 1.00 0.00 H new ATOM 0 HA GLU A 79 4.802 -7.971 -12.225 1.00 0.00 H new ATOM 0 HB2 GLU A 79 3.194 -10.277 -11.047 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.084 -9.714 -12.703 1.00 0.00 H new ATOM 0 HG2 GLU A 79 5.473 -10.308 -13.063 1.00 0.00 H new ATOM 0 HG3 GLU A 79 5.584 -10.870 -11.407 1.00 0.00 H new ATOM 726 N ILE A 80 2.346 -7.785 -10.003 1.00 0.00 N ATOM 727 CA ILE A 80 1.107 -7.073 -9.700 1.00 0.00 C ATOM 728 C ILE A 80 1.369 -5.572 -9.487 1.00 0.00 C ATOM 729 O ILE A 80 0.641 -4.724 -10.019 1.00 0.00 O ATOM 730 CB ILE A 80 0.369 -7.686 -8.475 1.00 0.00 C ATOM 731 CG1 ILE A 80 -1.098 -7.224 -8.442 1.00 0.00 C ATOM 732 CG2 ILE A 80 1.068 -7.332 -7.161 1.00 0.00 C ATOM 733 CD1 ILE A 80 -1.911 -7.673 -9.641 1.00 0.00 C ATOM 0 H ILE A 80 2.626 -8.471 -9.302 1.00 0.00 H new ATOM 0 HA ILE A 80 0.452 -7.186 -10.564 1.00 0.00 H new ATOM 0 HB ILE A 80 0.395 -8.770 -8.584 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.568 -7.603 -7.534 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.125 -6.136 -8.384 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.524 -7.777 -6.328 1.00 0.00 H new ATOM 0 HG22 ILE A 80 2.088 -7.717 -7.176 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.091 -6.249 -7.041 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.934 -7.308 -9.544 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.467 -7.272 -10.552 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.917 -8.762 -9.689 1.00 0.00 H new ATOM 745 N THR A 81 2.430 -5.242 -8.746 1.00 0.00 N ATOM 746 CA THR A 81 2.793 -3.848 -8.508 1.00 0.00 C ATOM 747 C THR A 81 3.195 -3.170 -9.822 1.00 0.00 C ATOM 748 O THR A 81 2.920 -1.982 -10.028 1.00 0.00 O ATOM 749 CB THR A 81 3.936 -3.730 -7.470 1.00 0.00 C ATOM 750 OG1 THR A 81 3.534 -4.350 -6.239 1.00 0.00 O ATOM 751 CG2 THR A 81 4.301 -2.271 -7.205 1.00 0.00 C ATOM 0 H THR A 81 3.049 -5.921 -8.303 1.00 0.00 H new ATOM 0 HA THR A 81 1.918 -3.341 -8.101 1.00 0.00 H new ATOM 0 HB THR A 81 4.813 -4.234 -7.876 1.00 0.00 H new ATOM 0 HG1 THR A 81 3.759 -5.304 -6.264 1.00 0.00 H new ATOM 0 HG21 THR A 81 5.106 -2.225 -6.472 1.00 0.00 H new ATOM 0 HG22 THR A 81 4.628 -1.803 -8.134 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.429 -1.742 -6.820 1.00 0.00 H new ATOM 759 N SER A 82 3.825 -3.932 -10.719 1.00 0.00 N ATOM 760 CA SER A 82 4.165 -3.423 -12.046 1.00 0.00 C ATOM 761 C SER A 82 2.891 -3.062 -12.816 1.00 0.00 C ATOM 762 O SER A 82 2.839 -2.039 -13.501 1.00 0.00 O ATOM 763 CB SER A 82 4.998 -4.447 -12.831 1.00 0.00 C ATOM 764 OG SER A 82 6.237 -4.703 -12.183 1.00 0.00 O ATOM 0 H SER A 82 4.108 -4.897 -10.551 1.00 0.00 H new ATOM 0 HA SER A 82 4.768 -2.523 -11.924 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.437 -5.376 -12.931 1.00 0.00 H new ATOM 0 HB3 SER A 82 5.181 -4.075 -13.839 1.00 0.00 H new ATOM 0 HG SER A 82 6.110 -5.389 -11.494 1.00 0.00 H new ATOM 770 N LEU A 83 1.859 -3.898 -12.684 1.00 0.00 N ATOM 771 CA LEU A 83 0.566 -3.625 -13.314 1.00 0.00 C ATOM 772 C LEU A 83 -0.009 -2.312 -12.787 1.00 0.00 C ATOM 773 O LEU A 83 -0.477 -1.465 -13.556 1.00 0.00 O ATOM 774 CB LEU A 83 -0.425 -4.775 -13.054 1.00 0.00 C ATOM 775 CG LEU A 83 0.023 -6.155 -13.562 1.00 0.00 C ATOM 776 CD1 LEU A 83 -1.038 -7.213 -13.271 1.00 0.00 C ATOM 777 CD2 LEU A 83 0.339 -6.106 -15.055 1.00 0.00 C ATOM 0 H LEU A 83 1.893 -4.766 -12.149 1.00 0.00 H new ATOM 0 HA LEU A 83 0.722 -3.541 -14.390 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.605 -4.842 -11.981 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.377 -4.525 -13.522 1.00 0.00 H new ATOM 0 HG LEU A 83 0.933 -6.431 -13.029 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.698 -8.181 -13.640 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.206 -7.273 -12.196 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.969 -6.942 -13.769 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.654 -7.093 -15.393 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.551 -5.801 -15.605 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.140 -5.389 -15.234 1.00 0.00 H new ATOM 789 N TRP A 84 0.048 -2.146 -11.470 1.00 0.00 N ATOM 790 CA TRP A 84 -0.474 -0.945 -10.821 1.00 0.00 C ATOM 791 C TRP A 84 0.258 0.301 -11.320 1.00 0.00 C ATOM 792 O TRP A 84 -0.363 1.225 -11.845 1.00 0.00 O ATOM 793 CB TRP A 84 -0.344 -1.055 -9.300 1.00 0.00 C ATOM 794 CG TRP A 84 -1.016 -2.267 -8.729 1.00 0.00 C ATOM 795 CD1 TRP A 84 -1.928 -3.078 -9.344 1.00 0.00 C ATOM 796 CD2 TRP A 84 -0.832 -2.797 -7.417 1.00 0.00 C ATOM 797 NE1 TRP A 84 -2.308 -4.084 -8.493 1.00 0.00 N ATOM 798 CE2 TRP A 84 -1.651 -3.930 -7.304 1.00 0.00 C ATOM 799 CE3 TRP A 84 -0.050 -2.423 -6.331 1.00 0.00 C ATOM 800 CZ2 TRP A 84 -1.709 -4.690 -6.142 1.00 0.00 C ATOM 801 CZ3 TRP A 84 -0.114 -3.175 -5.178 1.00 0.00 C ATOM 802 CH2 TRP A 84 -0.937 -4.298 -5.092 1.00 0.00 C ATOM 0 H TRP A 84 0.451 -2.829 -10.828 1.00 0.00 H new ATOM 0 HA TRP A 84 -1.530 -0.855 -11.077 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.713 -1.076 -9.034 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -0.770 -0.163 -8.841 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -2.295 -2.946 -10.351 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -2.973 -4.826 -8.712 1.00 0.00 H new ATOM 0 HE3 TRP A 84 0.596 -1.559 -6.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -2.344 -5.561 -6.075 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 0.484 -2.890 -4.325 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -0.962 -4.867 -4.175 1.00 0.00 H new ATOM 813 N GLN A 85 1.580 0.315 -11.164 1.00 0.00 N ATOM 814 CA GLN A 85 2.396 1.439 -11.625 1.00 0.00 C ATOM 815 C GLN A 85 2.270 1.606 -13.141 1.00 0.00 C ATOM 816 O GLN A 85 2.467 2.694 -13.678 1.00 0.00 O ATOM 817 CB GLN A 85 3.865 1.249 -11.202 1.00 0.00 C ATOM 818 CG GLN A 85 4.768 2.432 -11.554 1.00 0.00 C ATOM 819 CD GLN A 85 6.090 2.416 -10.801 1.00 0.00 C ATOM 820 OE1 GLN A 85 6.200 2.980 -9.710 1.00 0.00 O ATOM 821 NE2 GLN A 85 7.095 1.769 -11.369 1.00 0.00 N ATOM 0 H GLN A 85 2.109 -0.437 -10.723 1.00 0.00 H new ATOM 0 HA GLN A 85 2.030 2.353 -11.157 1.00 0.00 H new ATOM 0 HB2 GLN A 85 3.904 1.082 -10.126 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.257 0.351 -11.679 1.00 0.00 H new ATOM 0 HG2 GLN A 85 4.967 2.424 -12.626 1.00 0.00 H new ATOM 0 HG3 GLN A 85 4.242 3.361 -11.334 1.00 0.00 H new ATOM 0 HE21 GLN A 85 6.963 1.315 -12.273 1.00 0.00 H new ATOM 0 HE22 GLN A 85 8.001 1.724 -10.903 1.00 0.00 H new ATOM 830 N GLY A 86 1.908 0.520 -13.813 1.00 0.00 N ATOM 831 CA GLY A 86 1.665 0.566 -15.244 1.00 0.00 C ATOM 832 C GLY A 86 0.345 1.245 -15.577 1.00 0.00 C ATOM 833 O GLY A 86 0.213 1.891 -16.617 1.00 0.00 O ATOM 0 H GLY A 86 1.777 -0.399 -13.389 1.00 0.00 H new ATOM 0 HA2 GLY A 86 2.480 1.099 -15.733 1.00 0.00 H new ATOM 0 HA3 GLY A 86 1.662 -0.448 -15.644 1.00 0.00 H new ATOM 837 N SER A 87 -0.635 1.100 -14.686 1.00 0.00 N ATOM 838 CA SER A 87 -1.968 1.662 -14.899 1.00 0.00 C ATOM 839 C SER A 87 -2.117 3.048 -14.248 1.00 0.00 C ATOM 840 O SER A 87 -2.309 4.051 -14.940 1.00 0.00 O ATOM 841 CB SER A 87 -3.028 0.700 -14.348 1.00 0.00 C ATOM 842 OG SER A 87 -2.871 -0.597 -14.907 1.00 0.00 O ATOM 0 H SER A 87 -0.530 0.596 -13.806 1.00 0.00 H new ATOM 0 HA SER A 87 -2.111 1.790 -15.972 1.00 0.00 H new ATOM 0 HB2 SER A 87 -2.947 0.645 -13.262 1.00 0.00 H new ATOM 0 HB3 SER A 87 -4.024 1.081 -14.575 1.00 0.00 H new ATOM 0 HG SER A 87 -2.073 -1.022 -14.529 1.00 0.00 H new ATOM 848 N LEU A 88 -2.010 3.104 -12.920 1.00 0.00 N ATOM 849 CA LEU A 88 -2.266 4.341 -12.175 1.00 0.00 C ATOM 850 C LEU A 88 -1.290 5.451 -12.563 1.00 0.00 C ATOM 851 O LEU A 88 -1.696 6.589 -12.809 1.00 0.00 O ATOM 852 CB LEU A 88 -2.206 4.106 -10.657 1.00 0.00 C ATOM 853 CG LEU A 88 -3.317 3.212 -10.073 1.00 0.00 C ATOM 854 CD1 LEU A 88 -3.006 1.734 -10.277 1.00 0.00 C ATOM 855 CD2 LEU A 88 -3.533 3.515 -8.597 1.00 0.00 C ATOM 0 H LEU A 88 -1.748 2.309 -12.337 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.274 4.660 -12.442 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.242 3.659 -10.415 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.244 5.074 -10.157 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.238 3.436 -10.610 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.809 1.131 -9.854 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.918 1.524 -11.343 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.067 1.488 -9.780 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.322 2.873 -8.205 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.609 3.331 -8.049 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.823 4.559 -8.479 1.00 0.00 H new ATOM 867 N PHE A 89 -0.002 5.123 -12.618 1.00 0.00 N ATOM 868 CA PHE A 89 1.026 6.117 -12.938 1.00 0.00 C ATOM 869 C PHE A 89 0.968 6.528 -14.409 1.00 0.00 C ATOM 870 O PHE A 89 1.595 7.511 -14.807 1.00 0.00 O ATOM 871 CB PHE A 89 2.425 5.605 -12.570 1.00 0.00 C ATOM 872 CG PHE A 89 2.687 5.600 -11.081 1.00 0.00 C ATOM 873 CD1 PHE A 89 2.070 4.672 -10.251 1.00 0.00 C ATOM 874 CD2 PHE A 89 3.554 6.526 -10.513 1.00 0.00 C ATOM 875 CE1 PHE A 89 2.312 4.670 -8.891 1.00 0.00 C ATOM 876 CE2 PHE A 89 3.797 6.526 -9.153 1.00 0.00 C ATOM 877 CZ PHE A 89 3.175 5.596 -8.342 1.00 0.00 C ATOM 0 H PHE A 89 0.356 4.183 -12.447 1.00 0.00 H new ATOM 0 HA PHE A 89 0.821 7.003 -12.337 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.548 4.593 -12.957 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.173 6.227 -13.062 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.394 3.944 -10.674 1.00 0.00 H new ATOM 0 HD2 PHE A 89 4.044 7.254 -11.142 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.826 3.943 -8.257 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.472 7.252 -8.724 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.364 5.594 -7.279 1.00 0.00 H new ATOM 887 N ASN A 90 0.198 5.791 -15.206 1.00 0.00 N ATOM 888 CA ASN A 90 -0.050 6.175 -16.596 1.00 0.00 C ATOM 889 C ASN A 90 -0.948 7.413 -16.607 1.00 0.00 C ATOM 890 O ASN A 90 -0.671 8.398 -17.299 1.00 0.00 O ATOM 891 CB ASN A 90 -0.699 5.013 -17.367 1.00 0.00 C ATOM 892 CG ASN A 90 -0.753 5.240 -18.871 1.00 0.00 C ATOM 893 OD1 ASN A 90 -0.875 6.370 -19.347 1.00 0.00 O ATOM 894 ND2 ASN A 90 -0.653 4.160 -19.632 1.00 0.00 N ATOM 0 H ASN A 90 -0.263 4.929 -14.917 1.00 0.00 H new ATOM 0 HA ASN A 90 0.892 6.409 -17.091 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -0.143 4.098 -17.165 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -1.712 4.860 -16.994 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -0.676 4.248 -20.648 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -0.553 3.241 -19.202 1.00 0.00 H new ATOM 901 N ALA A 91 -2.008 7.365 -15.794 1.00 0.00 N ATOM 902 CA ALA A 91 -2.882 8.521 -15.575 1.00 0.00 C ATOM 903 C ALA A 91 -2.195 9.528 -14.650 1.00 0.00 C ATOM 904 O ALA A 91 -2.668 10.651 -14.465 1.00 0.00 O ATOM 905 CB ALA A 91 -4.213 8.072 -14.983 1.00 0.00 C ATOM 0 H ALA A 91 -2.282 6.532 -15.274 1.00 0.00 H new ATOM 0 HA ALA A 91 -3.077 9.004 -16.533 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.853 8.940 -14.825 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.702 7.381 -15.670 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -4.037 7.573 -14.030 1.00 0.00 H new ATOM 911 N ASN A 92 -1.079 9.085 -14.069 1.00 0.00 N ATOM 912 CA ASN A 92 -0.216 9.909 -13.219 1.00 0.00 C ATOM 913 C ASN A 92 -0.870 10.176 -11.864 1.00 0.00 C ATOM 914 O ASN A 92 -0.939 11.317 -11.397 1.00 0.00 O ATOM 915 CB ASN A 92 0.162 11.230 -13.917 1.00 0.00 C ATOM 916 CG ASN A 92 1.390 11.887 -13.299 1.00 0.00 C ATOM 917 OD1 ASN A 92 2.515 11.647 -13.733 1.00 0.00 O ATOM 918 ND2 ASN A 92 1.187 12.712 -12.281 1.00 0.00 N ATOM 0 H ASN A 92 -0.743 8.128 -14.177 1.00 0.00 H new ATOM 0 HA ASN A 92 0.703 9.350 -13.045 1.00 0.00 H new ATOM 0 HB2 ASN A 92 0.350 11.038 -14.973 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -0.681 11.919 -13.863 1.00 0.00 H new ATOM 0 HD21 ASN A 92 1.979 13.171 -11.831 1.00 0.00 H new ATOM 0 HD22 ASN A 92 0.239 12.887 -11.948 1.00 0.00 H new ATOM 925 N TYR A 93 -1.369 9.113 -11.243 1.00 0.00 N ATOM 926 CA TYR A 93 -1.833 9.186 -9.860 1.00 0.00 C ATOM 927 C TYR A 93 -0.621 9.250 -8.934 1.00 0.00 C ATOM 928 O TYR A 93 0.030 8.232 -8.680 1.00 0.00 O ATOM 929 CB TYR A 93 -2.713 7.976 -9.500 1.00 0.00 C ATOM 930 CG TYR A 93 -4.027 7.896 -10.260 1.00 0.00 C ATOM 931 CD1 TYR A 93 -4.537 8.989 -10.957 1.00 0.00 C ATOM 932 CD2 TYR A 93 -4.763 6.716 -10.275 1.00 0.00 C ATOM 933 CE1 TYR A 93 -5.736 8.907 -11.639 1.00 0.00 C ATOM 934 CE2 TYR A 93 -5.961 6.625 -10.954 1.00 0.00 C ATOM 935 CZ TYR A 93 -6.443 7.724 -11.637 1.00 0.00 C ATOM 936 OH TYR A 93 -7.636 7.636 -12.318 1.00 0.00 O ATOM 0 H TYR A 93 -1.463 8.193 -11.673 1.00 0.00 H new ATOM 0 HA TYR A 93 -2.442 10.082 -9.740 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -2.146 7.064 -9.686 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -2.928 8.006 -8.432 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -3.985 9.917 -10.964 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -4.389 5.853 -9.744 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.117 9.766 -12.171 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.518 5.700 -10.951 1.00 0.00 H new ATOM 0 HH TYR A 93 -8.357 7.426 -11.689 1.00 0.00 H new ATOM 946 N ASP A 94 -0.301 10.450 -8.465 1.00 0.00 N ATOM 947 CA ASP A 94 0.892 10.662 -7.651 1.00 0.00 C ATOM 948 C ASP A 94 0.701 10.097 -6.246 1.00 0.00 C ATOM 949 O ASP A 94 0.298 10.803 -5.318 1.00 0.00 O ATOM 950 CB ASP A 94 1.261 12.151 -7.588 1.00 0.00 C ATOM 951 CG ASP A 94 2.605 12.387 -6.911 1.00 0.00 C ATOM 952 OD1 ASP A 94 3.640 11.976 -7.481 1.00 0.00 O ATOM 953 OD2 ASP A 94 2.639 12.982 -5.812 1.00 0.00 O ATOM 0 H ASP A 94 -0.851 11.292 -8.634 1.00 0.00 H new ATOM 0 HA ASP A 94 1.716 10.129 -8.125 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.289 12.559 -8.598 1.00 0.00 H new ATOM 0 HB3 ASP A 94 0.485 12.693 -7.048 1.00 0.00 H new ATOM 958 N VAL A 95 0.956 8.802 -6.115 1.00 0.00 N ATOM 959 CA VAL A 95 0.889 8.110 -4.834 1.00 0.00 C ATOM 960 C VAL A 95 2.298 7.702 -4.412 1.00 0.00 C ATOM 961 O VAL A 95 3.206 7.671 -5.248 1.00 0.00 O ATOM 962 CB VAL A 95 -0.009 6.843 -4.930 1.00 0.00 C ATOM 963 CG1 VAL A 95 -1.339 7.164 -5.606 1.00 0.00 C ATOM 964 CG2 VAL A 95 0.710 5.712 -5.668 1.00 0.00 C ATOM 0 H VAL A 95 1.216 8.200 -6.896 1.00 0.00 H new ATOM 0 HA VAL A 95 0.454 8.784 -4.096 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.216 6.507 -3.914 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.947 6.261 -5.660 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.867 7.923 -5.028 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.154 7.538 -6.613 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.059 4.840 -5.720 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.961 6.038 -6.677 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.623 5.452 -5.133 1.00 0.00 H new ATOM 974 N GLN A 96 2.498 7.394 -3.131 1.00 0.00 N ATOM 975 CA GLN A 96 3.782 6.862 -2.684 1.00 0.00 C ATOM 976 C GLN A 96 3.653 5.355 -2.514 1.00 0.00 C ATOM 977 O GLN A 96 3.040 4.879 -1.560 1.00 0.00 O ATOM 978 CB GLN A 96 4.248 7.523 -1.373 1.00 0.00 C ATOM 979 CG GLN A 96 5.658 7.112 -0.912 1.00 0.00 C ATOM 980 CD GLN A 96 6.766 7.499 -1.897 1.00 0.00 C ATOM 981 OE1 GLN A 96 6.557 7.539 -3.107 1.00 0.00 O ATOM 982 NE2 GLN A 96 7.963 7.788 -1.387 1.00 0.00 N ATOM 0 H GLN A 96 1.799 7.502 -2.396 1.00 0.00 H new ATOM 0 HA GLN A 96 4.539 7.087 -3.435 1.00 0.00 H new ATOM 0 HB2 GLN A 96 4.223 8.605 -1.499 1.00 0.00 H new ATOM 0 HB3 GLN A 96 3.537 7.277 -0.585 1.00 0.00 H new ATOM 0 HG2 GLN A 96 5.864 7.575 0.053 1.00 0.00 H new ATOM 0 HG3 GLN A 96 5.680 6.033 -0.759 1.00 0.00 H new ATOM 0 HE21 GLN A 96 8.111 7.747 -0.379 1.00 0.00 H new ATOM 0 HE22 GLN A 96 8.731 8.050 -2.005 1.00 0.00 H new ATOM 991 N ARG A 97 4.196 4.614 -3.469 1.00 0.00 N ATOM 992 CA ARG A 97 4.070 3.160 -3.481 1.00 0.00 C ATOM 993 C ARG A 97 5.359 2.509 -2.985 1.00 0.00 C ATOM 994 O ARG A 97 6.454 2.860 -3.435 1.00 0.00 O ATOM 995 CB ARG A 97 3.713 2.649 -4.897 1.00 0.00 C ATOM 996 CG ARG A 97 4.881 2.584 -5.896 1.00 0.00 C ATOM 997 CD ARG A 97 5.518 3.947 -6.158 1.00 0.00 C ATOM 998 NE ARG A 97 6.688 3.854 -7.040 1.00 0.00 N ATOM 999 CZ ARG A 97 7.952 3.769 -6.612 1.00 0.00 C ATOM 1000 NH1 ARG A 97 8.218 3.686 -5.311 1.00 0.00 N ATOM 1001 NH2 ARG A 97 8.948 3.748 -7.492 1.00 0.00 N ATOM 0 H ARG A 97 4.730 4.996 -4.249 1.00 0.00 H new ATOM 0 HA ARG A 97 3.260 2.883 -2.807 1.00 0.00 H new ATOM 0 HB2 ARG A 97 3.281 1.652 -4.806 1.00 0.00 H new ATOM 0 HB3 ARG A 97 2.939 3.295 -5.312 1.00 0.00 H new ATOM 0 HG2 ARG A 97 5.640 1.901 -5.515 1.00 0.00 H new ATOM 0 HG3 ARG A 97 4.523 2.169 -6.838 1.00 0.00 H new ATOM 0 HD2 ARG A 97 4.779 4.611 -6.607 1.00 0.00 H new ATOM 0 HD3 ARG A 97 5.815 4.395 -5.210 1.00 0.00 H new ATOM 0 HE ARG A 97 6.526 3.854 -8.047 1.00 0.00 H new ATOM 0 HH11 ARG A 97 7.456 3.687 -4.633 1.00 0.00 H new ATOM 0 HH12 ARG A 97 9.184 3.621 -4.991 1.00 0.00 H new ATOM 0 HH21 ARG A 97 8.747 3.797 -8.491 1.00 0.00 H new ATOM 0 HH22 ARG A 97 9.913 3.683 -7.168 1.00 0.00 H new ATOM 1015 N PHE A 98 5.227 1.584 -2.041 1.00 0.00 N ATOM 1016 CA PHE A 98 6.359 0.788 -1.572 1.00 0.00 C ATOM 1017 C PHE A 98 6.081 -0.689 -1.832 1.00 0.00 C ATOM 1018 O PHE A 98 4.966 -1.174 -1.604 1.00 0.00 O ATOM 1019 CB PHE A 98 6.646 1.020 -0.075 1.00 0.00 C ATOM 1020 CG PHE A 98 7.245 2.369 0.263 1.00 0.00 C ATOM 1021 CD1 PHE A 98 7.793 3.185 -0.720 1.00 0.00 C ATOM 1022 CD2 PHE A 98 7.267 2.817 1.579 1.00 0.00 C ATOM 1023 CE1 PHE A 98 8.341 4.412 -0.401 1.00 0.00 C ATOM 1024 CE2 PHE A 98 7.815 4.044 1.902 1.00 0.00 C ATOM 1025 CZ PHE A 98 8.352 4.841 0.912 1.00 0.00 C ATOM 0 H PHE A 98 4.343 1.365 -1.582 1.00 0.00 H new ATOM 0 HA PHE A 98 7.245 1.102 -2.123 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.715 0.904 0.480 1.00 0.00 H new ATOM 0 HB3 PHE A 98 7.324 0.241 0.274 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.790 2.855 -1.748 1.00 0.00 H new ATOM 0 HD2 PHE A 98 6.850 2.198 2.360 1.00 0.00 H new ATOM 0 HE1 PHE A 98 8.760 5.035 -1.177 1.00 0.00 H new ATOM 0 HE2 PHE A 98 7.823 4.379 2.929 1.00 0.00 H new ATOM 0 HZ PHE A 98 8.781 5.800 1.164 1.00 0.00 H new ATOM 1035 N ILE A 99 7.096 -1.390 -2.326 1.00 0.00 N ATOM 1036 CA ILE A 99 6.979 -2.805 -2.648 1.00 0.00 C ATOM 1037 C ILE A 99 7.955 -3.622 -1.805 1.00 0.00 C ATOM 1038 O ILE A 99 9.169 -3.578 -2.006 1.00 0.00 O ATOM 1039 CB ILE A 99 7.213 -3.063 -4.165 1.00 0.00 C ATOM 1040 CG1 ILE A 99 7.214 -4.574 -4.468 1.00 0.00 C ATOM 1041 CG2 ILE A 99 8.509 -2.407 -4.645 1.00 0.00 C ATOM 1042 CD1 ILE A 99 7.376 -4.908 -5.940 1.00 0.00 C ATOM 0 H ILE A 99 8.018 -0.995 -2.513 1.00 0.00 H new ATOM 0 HA ILE A 99 5.963 -3.122 -2.413 1.00 0.00 H new ATOM 0 HB ILE A 99 6.389 -2.607 -4.714 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.021 -5.046 -3.908 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.281 -5.007 -4.108 1.00 0.00 H new ATOM 0 HG21 ILE A 99 8.645 -2.605 -5.708 1.00 0.00 H new ATOM 0 HG22 ILE A 99 8.455 -1.331 -4.480 1.00 0.00 H new ATOM 0 HG23 ILE A 99 9.352 -2.817 -4.089 1.00 0.00 H new ATOM 0 HD11 ILE A 99 7.367 -5.990 -6.071 1.00 0.00 H new ATOM 0 HD12 ILE A 99 6.555 -4.467 -6.506 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.323 -4.507 -6.302 1.00 0.00 H new ATOM 1054 N VAL A 100 7.410 -4.339 -0.836 1.00 0.00 N ATOM 1055 CA VAL A 100 8.189 -5.203 0.038 1.00 0.00 C ATOM 1056 C VAL A 100 7.285 -6.308 0.568 1.00 0.00 C ATOM 1057 O VAL A 100 6.122 -6.057 0.873 1.00 0.00 O ATOM 1058 CB VAL A 100 8.820 -4.408 1.218 1.00 0.00 C ATOM 1059 CG1 VAL A 100 7.743 -3.731 2.069 1.00 0.00 C ATOM 1060 CG2 VAL A 100 9.707 -5.312 2.074 1.00 0.00 C ATOM 0 H VAL A 100 6.411 -4.339 -0.632 1.00 0.00 H new ATOM 0 HA VAL A 100 9.010 -5.633 -0.536 1.00 0.00 H new ATOM 0 HB VAL A 100 9.448 -3.625 0.793 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.215 -3.184 2.885 1.00 0.00 H new ATOM 0 HG12 VAL A 100 7.172 -3.039 1.450 1.00 0.00 H new ATOM 0 HG13 VAL A 100 7.074 -4.488 2.479 1.00 0.00 H new ATOM 0 HG21 VAL A 100 10.136 -4.732 2.891 1.00 0.00 H new ATOM 0 HG22 VAL A 100 9.110 -6.127 2.482 1.00 0.00 H new ATOM 0 HG23 VAL A 100 10.509 -5.722 1.460 1.00 0.00 H new ATOM 1070 N GLY A 101 7.806 -7.532 0.649 1.00 0.00 N ATOM 1071 CA GLY A 101 6.987 -8.651 1.082 1.00 0.00 C ATOM 1072 C GLY A 101 6.046 -9.112 -0.016 1.00 0.00 C ATOM 1073 O GLY A 101 5.041 -8.466 -0.283 1.00 0.00 O ATOM 0 H GLY A 101 8.773 -7.766 0.424 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.630 -9.478 1.382 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.409 -8.362 1.960 1.00 0.00 H new ATOM 1077 N SER A 102 6.387 -10.223 -0.661 1.00 0.00 N ATOM 1078 CA SER A 102 5.635 -10.747 -1.806 1.00 0.00 C ATOM 1079 C SER A 102 4.117 -10.775 -1.566 1.00 0.00 C ATOM 1080 O SER A 102 3.332 -10.569 -2.497 1.00 0.00 O ATOM 1081 CB SER A 102 6.160 -12.145 -2.137 1.00 0.00 C ATOM 1082 OG SER A 102 6.510 -12.843 -0.952 1.00 0.00 O ATOM 0 H SER A 102 7.195 -10.791 -0.407 1.00 0.00 H new ATOM 0 HA SER A 102 5.789 -10.074 -2.649 1.00 0.00 H new ATOM 0 HB2 SER A 102 5.400 -12.704 -2.683 1.00 0.00 H new ATOM 0 HB3 SER A 102 7.030 -12.067 -2.790 1.00 0.00 H new ATOM 0 HG SER A 102 7.137 -13.564 -1.170 1.00 0.00 H new ATOM 1088 N ASP A 103 3.721 -11.052 -0.327 1.00 0.00 N ATOM 1089 CA ASP A 103 2.308 -11.060 0.075 1.00 0.00 C ATOM 1090 C ASP A 103 1.580 -9.759 -0.283 1.00 0.00 C ATOM 1091 O ASP A 103 0.431 -9.788 -0.739 1.00 0.00 O ATOM 1092 CB ASP A 103 2.212 -11.310 1.589 1.00 0.00 C ATOM 1093 CG ASP A 103 0.799 -11.170 2.148 1.00 0.00 C ATOM 1094 OD1 ASP A 103 -0.145 -11.699 1.527 1.00 0.00 O ATOM 1095 OD2 ASP A 103 0.640 -10.544 3.227 1.00 0.00 O ATOM 0 H ASP A 103 4.366 -11.278 0.430 1.00 0.00 H new ATOM 0 HA ASP A 103 1.816 -11.860 -0.478 1.00 0.00 H new ATOM 0 HB2 ASP A 103 2.581 -12.312 1.806 1.00 0.00 H new ATOM 0 HB3 ASP A 103 2.868 -10.610 2.106 1.00 0.00 H new ATOM 1100 N ARG A 104 2.258 -8.625 -0.126 1.00 0.00 N ATOM 1101 CA ARG A 104 1.588 -7.326 -0.181 1.00 0.00 C ATOM 1102 C ARG A 104 2.383 -6.284 -0.955 1.00 0.00 C ATOM 1103 O ARG A 104 3.552 -6.474 -1.303 1.00 0.00 O ATOM 1104 CB ARG A 104 1.345 -6.775 1.233 1.00 0.00 C ATOM 1105 CG ARG A 104 0.481 -7.651 2.123 1.00 0.00 C ATOM 1106 CD ARG A 104 0.275 -7.022 3.495 1.00 0.00 C ATOM 1107 NE ARG A 104 -0.471 -7.905 4.397 1.00 0.00 N ATOM 1108 CZ ARG A 104 -1.494 -7.511 5.160 1.00 0.00 C ATOM 1109 NH1 ARG A 104 -1.951 -6.263 5.079 1.00 0.00 N ATOM 1110 NH2 ARG A 104 -2.067 -8.373 5.990 1.00 0.00 N ATOM 0 H ARG A 104 3.263 -8.577 0.039 1.00 0.00 H new ATOM 0 HA ARG A 104 0.644 -7.504 -0.697 1.00 0.00 H new ATOM 0 HB2 ARG A 104 2.309 -6.627 1.720 1.00 0.00 H new ATOM 0 HB3 ARG A 104 0.877 -5.794 1.149 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -0.486 -7.813 1.647 1.00 0.00 H new ATOM 0 HG3 ARG A 104 0.948 -8.629 2.237 1.00 0.00 H new ATOM 0 HD2 ARG A 104 1.244 -6.788 3.936 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -0.261 -6.079 3.385 1.00 0.00 H new ATOM 0 HE ARG A 104 -0.190 -8.884 4.445 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -1.520 -5.603 4.432 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -2.733 -5.967 5.664 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -1.726 -9.333 6.044 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -2.848 -8.076 6.574 1.00 0.00 H new ATOM 1124 N ALA A 105 1.695 -5.192 -1.245 1.00 0.00 N ATOM 1125 CA ALA A 105 2.314 -3.935 -1.642 1.00 0.00 C ATOM 1126 C ALA A 105 1.483 -2.803 -1.042 1.00 0.00 C ATOM 1127 O ALA A 105 0.288 -2.988 -0.788 1.00 0.00 O ATOM 1128 CB ALA A 105 2.410 -3.824 -3.157 1.00 0.00 C ATOM 0 H ALA A 105 0.676 -5.152 -1.211 1.00 0.00 H new ATOM 0 HA ALA A 105 3.337 -3.880 -1.270 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.876 -2.875 -3.424 1.00 0.00 H new ATOM 0 HB2 ALA A 105 3.012 -4.646 -3.545 1.00 0.00 H new ATOM 0 HB3 ALA A 105 1.411 -3.871 -3.589 1.00 0.00 H new ATOM 1134 N ILE A 106 2.088 -1.644 -0.803 1.00 0.00 N ATOM 1135 CA ILE A 106 1.407 -0.598 -0.037 1.00 0.00 C ATOM 1136 C ILE A 106 1.384 0.747 -0.766 1.00 0.00 C ATOM 1137 O ILE A 106 2.326 1.104 -1.484 1.00 0.00 O ATOM 1138 CB ILE A 106 2.046 -0.429 1.366 1.00 0.00 C ATOM 1139 CG1 ILE A 106 1.256 0.595 2.200 1.00 0.00 C ATOM 1140 CG2 ILE A 106 3.515 -0.024 1.253 1.00 0.00 C ATOM 1141 CD1 ILE A 106 1.797 0.804 3.595 1.00 0.00 C ATOM 0 H ILE A 106 3.028 -1.405 -1.119 1.00 0.00 H new ATOM 0 HA ILE A 106 0.374 -0.926 0.077 1.00 0.00 H new ATOM 0 HB ILE A 106 2.004 -1.391 1.877 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.254 1.551 1.676 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.219 0.268 2.270 1.00 0.00 H new ATOM 0 HG21 ILE A 106 3.939 0.088 2.251 1.00 0.00 H new ATOM 0 HG22 ILE A 106 4.064 -0.793 0.709 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.591 0.923 0.718 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.185 1.540 4.116 1.00 0.00 H new ATOM 0 HD12 ILE A 106 1.773 -0.140 4.140 1.00 0.00 H new ATOM 0 HD13 ILE A 106 2.825 1.163 3.537 1.00 0.00 H new ATOM 1153 N PHE A 107 0.284 1.481 -0.566 1.00 0.00 N ATOM 1154 CA PHE A 107 0.096 2.812 -1.135 1.00 0.00 C ATOM 1155 C PHE A 107 -0.153 3.823 -0.023 1.00 0.00 C ATOM 1156 O PHE A 107 -1.113 3.692 0.734 1.00 0.00 O ATOM 1157 CB PHE A 107 -1.103 2.841 -2.094 1.00 0.00 C ATOM 1158 CG PHE A 107 -0.907 2.075 -3.373 1.00 0.00 C ATOM 1159 CD1 PHE A 107 -0.095 2.580 -4.377 1.00 0.00 C ATOM 1160 CD2 PHE A 107 -1.548 0.862 -3.581 1.00 0.00 C ATOM 1161 CE1 PHE A 107 0.076 1.893 -5.562 1.00 0.00 C ATOM 1162 CE2 PHE A 107 -1.382 0.174 -4.766 1.00 0.00 C ATOM 1163 CZ PHE A 107 -0.568 0.690 -5.757 1.00 0.00 C ATOM 0 H PHE A 107 -0.503 1.163 -0.001 1.00 0.00 H new ATOM 0 HA PHE A 107 1.002 3.067 -1.685 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -1.974 2.439 -1.576 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -1.329 3.879 -2.340 1.00 0.00 H new ATOM 0 HD1 PHE A 107 0.410 3.523 -4.230 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.182 0.453 -2.809 1.00 0.00 H new ATOM 0 HE1 PHE A 107 0.713 2.297 -6.335 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -1.888 -0.768 -4.919 1.00 0.00 H new ATOM 0 HZ PHE A 107 -0.437 0.151 -6.684 1.00 0.00 H new ATOM 1173 N MET A 108 0.710 4.821 0.076 1.00 0.00 N ATOM 1174 CA MET A 108 0.505 5.923 1.007 1.00 0.00 C ATOM 1175 C MET A 108 0.019 7.152 0.243 1.00 0.00 C ATOM 1176 O MET A 108 0.667 7.594 -0.718 1.00 0.00 O ATOM 1177 CB MET A 108 1.794 6.236 1.781 1.00 0.00 C ATOM 1178 CG MET A 108 2.208 5.139 2.758 1.00 0.00 C ATOM 1179 SD MET A 108 2.683 3.606 1.940 1.00 0.00 S ATOM 1180 CE MET A 108 4.173 4.119 1.095 1.00 0.00 C ATOM 0 H MET A 108 1.563 4.892 -0.479 1.00 0.00 H new ATOM 0 HA MET A 108 -0.253 5.634 1.735 1.00 0.00 H new ATOM 0 HB2 MET A 108 2.603 6.400 1.069 1.00 0.00 H new ATOM 0 HB3 MET A 108 1.659 7.167 2.331 1.00 0.00 H new ATOM 0 HG2 MET A 108 3.042 5.495 3.362 1.00 0.00 H new ATOM 0 HG3 MET A 108 1.382 4.939 3.441 1.00 0.00 H new ATOM 0 HE1 MET A 108 4.508 3.322 0.431 1.00 0.00 H new ATOM 0 HE2 MET A 108 3.969 5.016 0.511 1.00 0.00 H new ATOM 0 HE3 MET A 108 4.952 4.332 1.827 1.00 0.00 H new ATOM 1190 N LEU A 109 -1.131 7.681 0.659 1.00 0.00 N ATOM 1191 CA LEU A 109 -1.755 8.820 -0.008 1.00 0.00 C ATOM 1192 C LEU A 109 -2.097 9.928 0.982 1.00 0.00 C ATOM 1193 O LEU A 109 -2.517 9.673 2.109 1.00 0.00 O ATOM 1194 CB LEU A 109 -3.029 8.375 -0.749 1.00 0.00 C ATOM 1195 CG LEU A 109 -2.840 8.040 -2.236 1.00 0.00 C ATOM 1196 CD1 LEU A 109 -4.123 7.460 -2.829 1.00 0.00 C ATOM 1197 CD2 LEU A 109 -2.404 9.288 -3.006 1.00 0.00 C ATOM 0 H LEU A 109 -1.653 7.334 1.464 1.00 0.00 H new ATOM 0 HA LEU A 109 -1.037 9.214 -0.727 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.435 7.498 -0.245 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -3.774 9.166 -0.663 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.058 7.286 -2.324 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.965 7.230 -3.883 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -4.391 6.548 -2.295 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -4.929 8.187 -2.733 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.273 9.039 -4.059 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.167 10.061 -2.908 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.461 9.655 -2.600 1.00 0.00 H new ATOM 1209 N ARG A 110 -1.894 11.162 0.543 1.00 0.00 N ATOM 1210 CA ARG A 110 -2.335 12.339 1.288 1.00 0.00 C ATOM 1211 C ARG A 110 -3.560 12.963 0.616 1.00 0.00 C ATOM 1212 O ARG A 110 -4.023 14.038 1.005 1.00 0.00 O ATOM 1213 CB ARG A 110 -1.200 13.366 1.417 1.00 0.00 C ATOM 1214 CG ARG A 110 -0.229 13.078 2.562 1.00 0.00 C ATOM 1215 CD ARG A 110 0.783 14.208 2.739 1.00 0.00 C ATOM 1216 NE ARG A 110 0.133 15.521 2.653 1.00 0.00 N ATOM 1217 CZ ARG A 110 0.264 16.362 1.619 1.00 0.00 C ATOM 1218 NH1 ARG A 110 1.165 16.129 0.669 1.00 0.00 N ATOM 1219 NH2 ARG A 110 -0.491 17.452 1.557 1.00 0.00 N ATOM 0 H ARG A 110 -1.422 11.378 -0.335 1.00 0.00 H new ATOM 0 HA ARG A 110 -2.614 12.024 2.294 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.643 13.396 0.481 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -1.634 14.355 1.562 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -0.788 12.941 3.488 1.00 0.00 H new ATOM 0 HG3 ARG A 110 0.298 12.144 2.367 1.00 0.00 H new ATOM 0 HD2 ARG A 110 1.279 14.107 3.704 1.00 0.00 H new ATOM 0 HD3 ARG A 110 1.556 14.131 1.974 1.00 0.00 H new ATOM 0 HE ARG A 110 -0.457 15.812 3.432 1.00 0.00 H new ATOM 0 HH11 ARG A 110 1.763 15.305 0.724 1.00 0.00 H new ATOM 0 HH12 ARG A 110 1.258 16.775 -0.115 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -1.168 17.646 2.295 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -0.394 18.095 0.771 1.00 0.00 H new ATOM 1233 N ASP A 111 -4.068 12.278 -0.405 1.00 0.00 N ATOM 1234 CA ASP A 111 -5.272 12.701 -1.117 1.00 0.00 C ATOM 1235 C ASP A 111 -6.128 11.474 -1.417 1.00 0.00 C ATOM 1236 O ASP A 111 -5.598 10.424 -1.786 1.00 0.00 O ATOM 1237 CB ASP A 111 -4.910 13.426 -2.422 1.00 0.00 C ATOM 1238 CG ASP A 111 -6.138 13.947 -3.156 1.00 0.00 C ATOM 1239 OD1 ASP A 111 -6.764 13.172 -3.905 1.00 0.00 O ATOM 1240 OD2 ASP A 111 -6.491 15.133 -2.974 1.00 0.00 O ATOM 0 H ASP A 111 -3.658 11.415 -0.762 1.00 0.00 H new ATOM 0 HA ASP A 111 -5.830 13.397 -0.491 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -4.243 14.259 -2.199 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -4.363 12.745 -3.073 1.00 0.00 H new ATOM 1245 N GLY A 112 -7.441 11.603 -1.252 1.00 0.00 N ATOM 1246 CA GLY A 112 -8.327 10.462 -1.408 1.00 0.00 C ATOM 1247 C GLY A 112 -9.387 10.662 -2.472 1.00 0.00 C ATOM 1248 O GLY A 112 -10.437 10.021 -2.425 1.00 0.00 O ATOM 0 H GLY A 112 -7.908 12.478 -1.013 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.734 9.583 -1.658 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -8.814 10.257 -0.455 1.00 0.00 H new ATOM 1252 N SER A 113 -9.116 11.531 -3.444 1.00 0.00 N ATOM 1253 CA SER A 113 -10.067 11.788 -4.527 1.00 0.00 C ATOM 1254 C SER A 113 -10.349 10.503 -5.308 1.00 0.00 C ATOM 1255 O SER A 113 -11.481 10.240 -5.719 1.00 0.00 O ATOM 1256 CB SER A 113 -9.527 12.870 -5.473 1.00 0.00 C ATOM 1257 OG SER A 113 -9.283 14.085 -4.778 1.00 0.00 O ATOM 0 H SER A 113 -8.251 12.067 -3.505 1.00 0.00 H new ATOM 0 HA SER A 113 -10.999 12.142 -4.086 1.00 0.00 H new ATOM 0 HB2 SER A 113 -8.605 12.523 -5.938 1.00 0.00 H new ATOM 0 HB3 SER A 113 -10.243 13.045 -6.276 1.00 0.00 H new ATOM 0 HG SER A 113 -8.413 14.036 -4.330 1.00 0.00 H new ATOM 1263 N TYR A 114 -9.308 9.698 -5.487 1.00 0.00 N ATOM 1264 CA TYR A 114 -9.412 8.440 -6.222 1.00 0.00 C ATOM 1265 C TYR A 114 -9.102 7.253 -5.314 1.00 0.00 C ATOM 1266 O TYR A 114 -8.725 6.182 -5.785 1.00 0.00 O ATOM 1267 CB TYR A 114 -8.473 8.455 -7.441 1.00 0.00 C ATOM 1268 CG TYR A 114 -7.037 8.850 -7.127 1.00 0.00 C ATOM 1269 CD1 TYR A 114 -6.087 7.894 -6.776 1.00 0.00 C ATOM 1270 CD2 TYR A 114 -6.633 10.180 -7.190 1.00 0.00 C ATOM 1271 CE1 TYR A 114 -4.783 8.253 -6.498 1.00 0.00 C ATOM 1272 CE2 TYR A 114 -5.329 10.544 -6.916 1.00 0.00 C ATOM 1273 CZ TYR A 114 -4.409 9.579 -6.570 1.00 0.00 C ATOM 1274 OH TYR A 114 -3.108 9.939 -6.301 1.00 0.00 O ATOM 0 H TYR A 114 -8.373 9.896 -5.130 1.00 0.00 H new ATOM 0 HA TYR A 114 -10.437 8.332 -6.577 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -8.473 7.464 -7.896 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -8.873 9.146 -8.183 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -6.375 6.855 -6.720 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -7.351 10.941 -7.458 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -4.059 7.499 -6.225 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -5.032 11.581 -6.973 1.00 0.00 H new ATOM 0 HH TYR A 114 -3.011 10.909 -6.397 1.00 0.00 H new ATOM 1284 N ALA A 115 -9.305 7.444 -4.011 1.00 0.00 N ATOM 1285 CA ALA A 115 -9.016 6.405 -3.021 1.00 0.00 C ATOM 1286 C ALA A 115 -9.897 5.177 -3.241 1.00 0.00 C ATOM 1287 O ALA A 115 -9.416 4.042 -3.266 1.00 0.00 O ATOM 1288 CB ALA A 115 -9.211 6.944 -1.609 1.00 0.00 C ATOM 0 H ALA A 115 -9.669 8.310 -3.615 1.00 0.00 H new ATOM 0 HA ALA A 115 -7.975 6.106 -3.144 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -8.992 6.158 -0.886 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -8.538 7.786 -1.445 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -10.242 7.274 -1.485 1.00 0.00 H new ATOM 1294 N TRP A 116 -11.188 5.407 -3.418 1.00 0.00 N ATOM 1295 CA TRP A 116 -12.130 4.310 -3.601 1.00 0.00 C ATOM 1296 C TRP A 116 -12.024 3.756 -5.020 1.00 0.00 C ATOM 1297 O TRP A 116 -12.420 2.620 -5.289 1.00 0.00 O ATOM 1298 CB TRP A 116 -13.564 4.768 -3.281 1.00 0.00 C ATOM 1299 CG TRP A 116 -14.234 3.903 -2.251 1.00 0.00 C ATOM 1300 CD1 TRP A 116 -15.372 3.168 -2.408 1.00 0.00 C ATOM 1301 CD2 TRP A 116 -13.786 3.665 -0.909 1.00 0.00 C ATOM 1302 NE1 TRP A 116 -15.664 2.497 -1.248 1.00 0.00 N ATOM 1303 CE2 TRP A 116 -14.706 2.782 -0.312 1.00 0.00 C ATOM 1304 CE3 TRP A 116 -12.696 4.113 -0.153 1.00 0.00 C ATOM 1305 CZ2 TRP A 116 -14.570 2.341 1.001 1.00 0.00 C ATOM 1306 CZ3 TRP A 116 -12.561 3.673 1.149 1.00 0.00 C ATOM 1307 CH2 TRP A 116 -13.493 2.794 1.716 1.00 0.00 C ATOM 0 H TRP A 116 -11.608 6.336 -3.439 1.00 0.00 H new ATOM 0 HA TRP A 116 -11.878 3.509 -2.906 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -13.541 5.798 -2.925 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -14.156 4.760 -4.196 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -15.958 3.121 -3.314 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -16.466 1.884 -1.105 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -11.973 4.791 -0.581 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -15.289 1.665 1.441 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -11.723 4.012 1.740 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -13.360 2.467 2.737 1.00 0.00 H new ATOM 1318 N GLU A 117 -11.467 4.565 -5.919 1.00 0.00 N ATOM 1319 CA GLU A 117 -11.228 4.142 -7.294 1.00 0.00 C ATOM 1320 C GLU A 117 -10.060 3.156 -7.349 1.00 0.00 C ATOM 1321 O GLU A 117 -10.169 2.089 -7.957 1.00 0.00 O ATOM 1322 CB GLU A 117 -10.948 5.357 -8.187 1.00 0.00 C ATOM 1323 CG GLU A 117 -10.605 4.997 -9.628 1.00 0.00 C ATOM 1324 CD GLU A 117 -10.468 6.217 -10.523 1.00 0.00 C ATOM 1325 OE1 GLU A 117 -9.551 7.027 -10.295 1.00 0.00 O ATOM 1326 OE2 GLU A 117 -11.288 6.377 -11.454 1.00 0.00 O ATOM 0 H GLU A 117 -11.172 5.520 -5.717 1.00 0.00 H new ATOM 0 HA GLU A 117 -12.122 3.642 -7.665 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -11.822 6.008 -8.183 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -10.124 5.928 -7.759 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -9.672 4.433 -9.645 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -11.380 4.343 -10.029 1.00 0.00 H new ATOM 1333 N ILE A 118 -8.948 3.512 -6.703 1.00 0.00 N ATOM 1334 CA ILE A 118 -7.791 2.623 -6.644 1.00 0.00 C ATOM 1335 C ILE A 118 -8.156 1.347 -5.891 1.00 0.00 C ATOM 1336 O ILE A 118 -7.786 0.251 -6.306 1.00 0.00 O ATOM 1337 CB ILE A 118 -6.543 3.292 -5.996 1.00 0.00 C ATOM 1338 CG1 ILE A 118 -5.381 2.289 -5.886 1.00 0.00 C ATOM 1339 CG2 ILE A 118 -6.871 3.872 -4.625 1.00 0.00 C ATOM 1340 CD1 ILE A 118 -4.125 2.873 -5.267 1.00 0.00 C ATOM 0 H ILE A 118 -8.826 4.401 -6.218 1.00 0.00 H new ATOM 0 HA ILE A 118 -7.519 2.384 -7.672 1.00 0.00 H new ATOM 0 HB ILE A 118 -6.237 4.112 -6.645 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -5.705 1.435 -5.291 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -5.143 1.912 -6.881 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -5.978 4.331 -4.201 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -7.653 4.625 -4.726 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -7.217 3.075 -3.966 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -3.351 2.107 -5.223 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -3.775 3.708 -5.874 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -4.346 3.224 -4.259 1.00 0.00 H new ATOM 1352 N LYS A 119 -8.910 1.494 -4.800 1.00 0.00 N ATOM 1353 CA LYS A 119 -9.386 0.336 -4.041 1.00 0.00 C ATOM 1354 C LYS A 119 -10.227 -0.577 -4.938 1.00 0.00 C ATOM 1355 O LYS A 119 -10.048 -1.800 -4.938 1.00 0.00 O ATOM 1356 CB LYS A 119 -10.203 0.790 -2.823 1.00 0.00 C ATOM 1357 CG LYS A 119 -10.737 -0.360 -1.969 1.00 0.00 C ATOM 1358 CD LYS A 119 -11.431 0.148 -0.707 1.00 0.00 C ATOM 1359 CE LYS A 119 -12.036 -0.990 0.109 1.00 0.00 C ATOM 1360 NZ LYS A 119 -13.120 -1.691 -0.631 1.00 0.00 N ATOM 0 H LYS A 119 -9.202 2.396 -4.424 1.00 0.00 H new ATOM 0 HA LYS A 119 -8.521 -0.225 -3.686 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -9.581 1.433 -2.200 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -11.043 1.394 -3.166 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -11.438 -0.954 -2.556 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -9.915 -1.020 -1.692 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -10.714 0.693 -0.093 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -12.215 0.853 -0.983 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -11.255 -1.704 0.370 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -12.432 -0.595 1.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -13.638 -2.315 0.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -13.775 -0.990 -1.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -12.706 -2.259 -1.398 1.00 0.00 H new ATOM 1374 N ASP A 120 -11.129 0.030 -5.712 1.00 0.00 N ATOM 1375 CA ASP A 120 -11.969 -0.714 -6.656 1.00 0.00 C ATOM 1376 C ASP A 120 -11.099 -1.457 -7.667 1.00 0.00 C ATOM 1377 O ASP A 120 -11.360 -2.615 -7.992 1.00 0.00 O ATOM 1378 CB ASP A 120 -12.937 0.230 -7.385 1.00 0.00 C ATOM 1379 CG ASP A 120 -13.884 -0.505 -8.331 1.00 0.00 C ATOM 1380 OD1 ASP A 120 -14.935 -1.004 -7.865 1.00 0.00 O ATOM 1381 OD2 ASP A 120 -13.596 -0.581 -9.542 1.00 0.00 O ATOM 0 H ASP A 120 -11.297 1.036 -5.704 1.00 0.00 H new ATOM 0 HA ASP A 120 -12.555 -1.440 -6.092 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -13.522 0.781 -6.649 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -12.364 0.964 -7.951 1.00 0.00 H new ATOM 1386 N PHE A 121 -10.041 -0.796 -8.127 1.00 0.00 N ATOM 1387 CA PHE A 121 -9.119 -1.389 -9.093 1.00 0.00 C ATOM 1388 C PHE A 121 -8.393 -2.583 -8.471 1.00 0.00 C ATOM 1389 O PHE A 121 -8.257 -3.638 -9.092 1.00 0.00 O ATOM 1390 CB PHE A 121 -8.108 -0.335 -9.573 1.00 0.00 C ATOM 1391 CG PHE A 121 -7.049 -0.872 -10.512 1.00 0.00 C ATOM 1392 CD1 PHE A 121 -7.347 -1.138 -11.841 1.00 0.00 C ATOM 1393 CD2 PHE A 121 -5.756 -1.111 -10.061 1.00 0.00 C ATOM 1394 CE1 PHE A 121 -6.380 -1.630 -12.700 1.00 0.00 C ATOM 1395 CE2 PHE A 121 -4.788 -1.601 -10.916 1.00 0.00 C ATOM 1396 CZ PHE A 121 -5.099 -1.861 -12.236 1.00 0.00 C ATOM 0 H PHE A 121 -9.799 0.154 -7.846 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.689 -1.742 -9.952 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.648 0.468 -10.074 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -7.618 0.104 -8.704 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.346 -0.959 -12.210 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -5.505 -0.911 -9.030 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -6.626 -1.833 -13.732 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -3.787 -1.781 -10.552 1.00 0.00 H new ATOM 0 HZ PHE A 121 -4.342 -2.244 -12.905 1.00 0.00 H new ATOM 1406 N LEU A 122 -7.939 -2.404 -7.235 1.00 0.00 N ATOM 1407 CA LEU A 122 -7.238 -3.454 -6.501 1.00 0.00 C ATOM 1408 C LEU A 122 -8.126 -4.690 -6.309 1.00 0.00 C ATOM 1409 O LEU A 122 -7.655 -5.825 -6.400 1.00 0.00 O ATOM 1410 CB LEU A 122 -6.773 -2.916 -5.141 1.00 0.00 C ATOM 1411 CG LEU A 122 -5.766 -1.751 -5.208 1.00 0.00 C ATOM 1412 CD1 LEU A 122 -5.570 -1.119 -3.832 1.00 0.00 C ATOM 1413 CD2 LEU A 122 -4.429 -2.217 -5.782 1.00 0.00 C ATOM 0 H LEU A 122 -8.045 -1.533 -6.715 1.00 0.00 H new ATOM 0 HA LEU A 122 -6.369 -3.757 -7.086 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -7.648 -2.588 -4.579 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -6.322 -3.734 -4.579 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.176 -0.993 -5.875 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -4.855 -0.300 -3.906 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -6.524 -0.736 -3.468 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -5.191 -1.869 -3.138 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -3.736 -1.376 -5.819 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -4.015 -3.001 -5.149 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -4.581 -2.606 -6.789 1.00 0.00 H new ATOM 1425 N VAL A 123 -9.412 -4.470 -6.050 1.00 0.00 N ATOM 1426 CA VAL A 123 -10.351 -5.581 -5.863 1.00 0.00 C ATOM 1427 C VAL A 123 -10.939 -6.041 -7.203 1.00 0.00 C ATOM 1428 O VAL A 123 -11.571 -7.095 -7.287 1.00 0.00 O ATOM 1429 CB VAL A 123 -11.489 -5.216 -4.877 1.00 0.00 C ATOM 1430 CG1 VAL A 123 -10.913 -4.838 -3.512 1.00 0.00 C ATOM 1431 CG2 VAL A 123 -12.355 -4.088 -5.428 1.00 0.00 C ATOM 0 H VAL A 123 -9.829 -3.543 -5.965 1.00 0.00 H new ATOM 0 HA VAL A 123 -9.784 -6.405 -5.430 1.00 0.00 H new ATOM 0 HB VAL A 123 -12.124 -6.094 -4.754 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -11.726 -4.584 -2.832 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -10.351 -5.680 -3.108 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -10.251 -3.979 -3.622 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -13.145 -3.854 -4.714 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -11.740 -3.203 -5.591 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -12.800 -4.400 -6.373 1.00 0.00 H new ATOM 1441 N SER A 124 -10.721 -5.239 -8.248 1.00 0.00 N ATOM 1442 CA SER A 124 -11.133 -5.588 -9.610 1.00 0.00 C ATOM 1443 C SER A 124 -10.043 -6.420 -10.302 1.00 0.00 C ATOM 1444 O SER A 124 -10.175 -6.793 -11.472 1.00 0.00 O ATOM 1445 CB SER A 124 -11.436 -4.317 -10.423 1.00 0.00 C ATOM 1446 OG SER A 124 -12.037 -4.627 -11.671 1.00 0.00 O ATOM 0 H SER A 124 -10.256 -4.334 -8.175 1.00 0.00 H new ATOM 0 HA SER A 124 -12.042 -6.186 -9.554 1.00 0.00 H new ATOM 0 HB2 SER A 124 -12.098 -3.667 -9.851 1.00 0.00 H new ATOM 0 HB3 SER A 124 -10.513 -3.763 -10.591 1.00 0.00 H new ATOM 0 HG SER A 124 -11.622 -5.433 -12.043 1.00 0.00 H new ATOM 1452 N GLN A 125 -8.975 -6.706 -9.560 1.00 0.00 N ATOM 1453 CA GLN A 125 -7.811 -7.419 -10.089 1.00 0.00 C ATOM 1454 C GLN A 125 -8.171 -8.815 -10.593 1.00 0.00 C ATOM 1455 O GLN A 125 -9.224 -9.361 -10.265 1.00 0.00 O ATOM 1456 CB GLN A 125 -6.714 -7.536 -9.025 1.00 0.00 C ATOM 1457 CG GLN A 125 -5.848 -6.293 -8.874 1.00 0.00 C ATOM 1458 CD GLN A 125 -4.835 -6.442 -7.756 1.00 0.00 C ATOM 1459 OE1 GLN A 125 -4.408 -5.332 -7.187 1.00 0.00 O flip ATOM 1460 NE2 GLN A 125 -4.412 -7.550 -7.432 1.00 0.00 N flip ATOM 0 H GLN A 125 -8.891 -6.451 -8.576 1.00 0.00 H new ATOM 0 HA GLN A 125 -7.445 -6.834 -10.932 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -7.179 -7.759 -8.065 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -6.073 -8.382 -9.273 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -5.328 -6.097 -9.812 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -6.483 -5.430 -8.676 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -4.767 -8.387 -7.895 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -3.707 -7.633 -6.700 1.00 0.00 H new ATOM 1469 N ASP A 126 -7.251 -9.379 -11.371 1.00 0.00 N ATOM 1470 CA ASP A 126 -7.398 -10.723 -11.932 1.00 0.00 C ATOM 1471 C ASP A 126 -7.673 -11.738 -10.817 1.00 0.00 C ATOM 1472 O ASP A 126 -8.721 -12.384 -10.792 1.00 0.00 O ATOM 1473 CB ASP A 126 -6.121 -11.099 -12.706 1.00 0.00 C ATOM 1474 CG ASP A 126 -6.141 -12.523 -13.246 1.00 0.00 C ATOM 1475 OD1 ASP A 126 -6.841 -12.776 -14.249 1.00 0.00 O ATOM 1476 OD2 ASP A 126 -5.435 -13.389 -12.687 1.00 0.00 O ATOM 0 H ASP A 126 -6.380 -8.917 -11.632 1.00 0.00 H new ATOM 0 HA ASP A 126 -8.245 -10.736 -12.618 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -5.990 -10.405 -13.536 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -5.258 -10.978 -12.051 1.00 0.00 H new ATOM 1481 N ARG A 127 -6.717 -11.864 -9.898 1.00 0.00 N ATOM 1482 CA ARG A 127 -6.869 -12.735 -8.728 1.00 0.00 C ATOM 1483 C ARG A 127 -7.688 -12.057 -7.624 1.00 0.00 C ATOM 1484 O ARG A 127 -8.087 -12.709 -6.659 1.00 0.00 O ATOM 1485 CB ARG A 127 -5.492 -13.128 -8.174 1.00 0.00 C ATOM 1486 CG ARG A 127 -4.561 -13.742 -9.212 1.00 0.00 C ATOM 1487 CD ARG A 127 -3.221 -14.141 -8.605 1.00 0.00 C ATOM 1488 NE ARG A 127 -2.247 -14.525 -9.630 1.00 0.00 N ATOM 1489 CZ ARG A 127 -0.944 -14.698 -9.401 1.00 0.00 C ATOM 1490 NH1 ARG A 127 -0.465 -14.618 -8.167 1.00 0.00 N ATOM 1491 NH2 ARG A 127 -0.126 -14.972 -10.407 1.00 0.00 N ATOM 0 H ARG A 127 -5.824 -11.373 -9.939 1.00 0.00 H new ATOM 0 HA ARG A 127 -7.403 -13.628 -9.052 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -5.016 -12.244 -7.751 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -5.629 -13.838 -7.358 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -5.036 -14.619 -9.653 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -4.396 -13.029 -10.020 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -2.825 -13.309 -8.022 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -3.368 -14.972 -7.915 1.00 0.00 H new ATOM 0 HE ARG A 127 -2.587 -14.669 -10.581 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -1.094 -14.423 -7.388 1.00 0.00 H new ATOM 0 HH12 ARG A 127 0.532 -14.751 -7.997 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -0.493 -15.050 -11.356 1.00 0.00 H new ATOM 0 HH22 ARG A 127 0.870 -15.104 -10.233 1.00 0.00 H new ATOM 1505 N CYS A 128 -7.925 -10.749 -7.780 1.00 0.00 N ATOM 1506 CA CYS A 128 -8.639 -9.939 -6.784 1.00 0.00 C ATOM 1507 C CYS A 128 -7.833 -9.835 -5.479 1.00 0.00 C ATOM 1508 O CYS A 128 -7.625 -10.830 -4.787 1.00 0.00 O ATOM 1509 CB CYS A 128 -10.037 -10.520 -6.508 1.00 0.00 C ATOM 1510 SG CYS A 128 -11.058 -10.713 -7.988 1.00 0.00 S ATOM 0 H CYS A 128 -7.627 -10.221 -8.601 1.00 0.00 H new ATOM 0 HA CYS A 128 -8.758 -8.935 -7.192 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -9.927 -11.491 -6.026 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -10.556 -9.871 -5.803 1.00 0.00 H new ATOM 0 HG CYS A 128 -10.449 -10.184 -9.007 1.00 0.00 H new ATOM 1516 N ALA A 129 -7.388 -8.624 -5.146 1.00 0.00 N ATOM 1517 CA ALA A 129 -6.558 -8.408 -3.962 1.00 0.00 C ATOM 1518 C ALA A 129 -7.381 -7.812 -2.820 1.00 0.00 C ATOM 1519 O ALA A 129 -8.293 -7.014 -3.054 1.00 0.00 O ATOM 1520 CB ALA A 129 -5.387 -7.492 -4.300 1.00 0.00 C ATOM 0 H ALA A 129 -7.588 -7.778 -5.679 1.00 0.00 H new ATOM 0 HA ALA A 129 -6.171 -9.373 -3.636 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -4.776 -7.339 -3.410 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -4.781 -7.950 -5.082 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -5.766 -6.532 -4.650 1.00 0.00 H new ATOM 1526 N GLU A 130 -7.055 -8.205 -1.592 1.00 0.00 N ATOM 1527 CA GLU A 130 -7.739 -7.699 -0.407 1.00 0.00 C ATOM 1528 C GLU A 130 -7.010 -6.469 0.131 1.00 0.00 C ATOM 1529 O GLU A 130 -5.799 -6.504 0.362 1.00 0.00 O ATOM 1530 CB GLU A 130 -7.820 -8.789 0.671 1.00 0.00 C ATOM 1531 CG GLU A 130 -8.583 -10.031 0.224 1.00 0.00 C ATOM 1532 CD GLU A 130 -8.735 -11.059 1.333 1.00 0.00 C ATOM 1533 OE1 GLU A 130 -9.727 -10.980 2.092 1.00 0.00 O ATOM 1534 OE2 GLU A 130 -7.866 -11.952 1.457 1.00 0.00 O ATOM 0 H GLU A 130 -6.315 -8.878 -1.391 1.00 0.00 H new ATOM 0 HA GLU A 130 -8.754 -7.413 -0.682 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -6.810 -9.078 0.961 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -8.301 -8.377 1.558 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -9.571 -9.737 -0.131 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -8.064 -10.487 -0.619 1.00 0.00 H new ATOM 1541 N VAL A 131 -7.748 -5.382 0.322 1.00 0.00 N ATOM 1542 CA VAL A 131 -7.157 -4.109 0.724 1.00 0.00 C ATOM 1543 C VAL A 131 -7.461 -3.795 2.188 1.00 0.00 C ATOM 1544 O VAL A 131 -8.607 -3.507 2.541 1.00 0.00 O ATOM 1545 CB VAL A 131 -7.682 -2.951 -0.162 1.00 0.00 C ATOM 1546 CG1 VAL A 131 -6.991 -1.632 0.190 1.00 0.00 C ATOM 1547 CG2 VAL A 131 -7.502 -3.283 -1.643 1.00 0.00 C ATOM 0 H VAL A 131 -8.761 -5.356 0.205 1.00 0.00 H new ATOM 0 HA VAL A 131 -6.078 -4.201 0.597 1.00 0.00 H new ATOM 0 HB VAL A 131 -8.747 -2.831 0.034 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -7.379 -0.837 -0.447 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -7.185 -1.387 1.234 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -5.917 -1.731 0.034 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -7.877 -2.458 -2.249 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -6.444 -3.438 -1.855 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -8.057 -4.190 -1.883 1.00 0.00 H new ATOM 1557 N THR A 132 -6.438 -3.858 3.037 1.00 0.00 N ATOM 1558 CA THR A 132 -6.570 -3.450 4.430 1.00 0.00 C ATOM 1559 C THR A 132 -6.170 -1.981 4.560 1.00 0.00 C ATOM 1560 O THR A 132 -5.093 -1.587 4.108 1.00 0.00 O ATOM 1561 CB THR A 132 -5.706 -4.334 5.368 1.00 0.00 C ATOM 1562 OG1 THR A 132 -4.353 -4.399 4.895 1.00 0.00 O ATOM 1563 CG2 THR A 132 -6.274 -5.746 5.465 1.00 0.00 C ATOM 0 H THR A 132 -5.507 -4.189 2.782 1.00 0.00 H new ATOM 0 HA THR A 132 -7.609 -3.578 4.734 1.00 0.00 H new ATOM 0 HB THR A 132 -5.722 -3.878 6.358 1.00 0.00 H new ATOM 0 HG1 THR A 132 -4.317 -4.093 3.965 1.00 0.00 H new ATOM 0 HG21 THR A 132 -5.650 -6.345 6.128 1.00 0.00 H new ATOM 0 HG22 THR A 132 -7.288 -5.704 5.862 1.00 0.00 H new ATOM 0 HG23 THR A 132 -6.290 -6.200 4.474 1.00 0.00 H new ATOM 1571 N LEU A 133 -7.043 -1.172 5.154 1.00 0.00 N ATOM 1572 CA LEU A 133 -6.845 0.275 5.197 1.00 0.00 C ATOM 1573 C LEU A 133 -6.000 0.692 6.402 1.00 0.00 C ATOM 1574 O LEU A 133 -5.821 -0.079 7.348 1.00 0.00 O ATOM 1575 CB LEU A 133 -8.205 0.994 5.240 1.00 0.00 C ATOM 1576 CG LEU A 133 -9.151 0.697 4.062 1.00 0.00 C ATOM 1577 CD1 LEU A 133 -10.464 1.465 4.219 1.00 0.00 C ATOM 1578 CD2 LEU A 133 -8.485 1.038 2.730 1.00 0.00 C ATOM 0 H LEU A 133 -7.895 -1.494 5.613 1.00 0.00 H new ATOM 0 HA LEU A 133 -6.308 0.563 4.293 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -8.711 0.722 6.166 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -8.027 2.069 5.278 1.00 0.00 H new ATOM 0 HG LEU A 133 -9.374 -0.370 4.067 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -11.119 1.242 3.377 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -10.952 1.166 5.147 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -10.259 2.535 4.245 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -9.173 0.820 1.913 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -8.226 2.097 2.713 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -7.580 0.441 2.612 1.00 0.00 H new ATOM 1590 N GLU A 134 -5.480 1.916 6.337 1.00 0.00 N ATOM 1591 CA GLU A 134 -4.704 2.511 7.425 1.00 0.00 C ATOM 1592 C GLU A 134 -5.527 2.607 8.710 1.00 0.00 C ATOM 1593 O GLU A 134 -6.540 3.306 8.758 1.00 0.00 O ATOM 1594 CB GLU A 134 -4.220 3.908 7.009 1.00 0.00 C ATOM 1595 CG GLU A 134 -3.578 4.710 8.140 1.00 0.00 C ATOM 1596 CD GLU A 134 -3.102 6.090 7.708 1.00 0.00 C ATOM 1597 OE1 GLU A 134 -3.618 6.625 6.704 1.00 0.00 O ATOM 1598 OE2 GLU A 134 -2.196 6.640 8.370 1.00 0.00 O ATOM 0 H GLU A 134 -5.585 2.526 5.526 1.00 0.00 H new ATOM 0 HA GLU A 134 -3.847 1.868 7.623 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -3.499 3.804 6.198 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -5.066 4.471 6.614 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -4.297 4.820 8.952 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -2.732 4.150 8.538 1.00 0.00 H new