USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 755 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 43 TYR OH : rot 110:sc= -0.079 USER MOD Set 1.2: A 65 GLN : amide:sc= -1.41 K(o=-1.5,f=0.6) USER MOD Set 2.1: A 16 HIS : no HD1:sc= -0.495 K(o=-1.5,f=-0.19) USER MOD Set 2.2: A 21 ASN : amide:sc= -0.965 K(o=-1.5,f=-0.19) USER MOD Set 3.1: A 10 TYR OH : rot 180:sc= -0.0928 USER MOD Set 3.2: A 45 HIS : no HD1:sc= -0.0925 X(o=-0.19,f=-0.015) USER MOD Single : A 1 GLU N :NH3+ -173:sc= 0.194 (180deg=-0.243!) USER MOD Single : A 8 THR OG1 : rot -176:sc= -1.28 USER MOD Single : A 14 GLN : amide:sc= -0.0328 X(o=-0.033,f=-0.39) USER MOD Single : A 18 LYS NZ :NH3+ 163:sc= -1.18! (180deg=-1.9!) USER MOD Single : A 19 HIS : no HD1:sc= -1.08 K(o=-1.1,f=0.31) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -78:sc= 1.18 USER MOD Single : A 39 TYR OH : rot -164:sc= 0.314 USER MOD Single : A 42 THR OG1 : rot 59:sc= -0.0348 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 177:sc= -0.956 (180deg=-0.974) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 140:sc= 0.621 USER MOD Single : A 62 THR OG1 : rot 75:sc= 0.843 USER MOD Single : A 63 TYR OH : rot -171:sc= 0.205 USER MOD Single : A 75 THR OG1 : rot -100:sc= -0.162 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -2.11 K(o=-2.1,f=-0.46) USER MOD Single : A 86 LYS NZ :NH3+ -169:sc=-0.00488 (180deg=-0.127) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc= -0.262 X(o=-0.26,f=-0.0084) USER MOD Single : A 95 HIS : no HE2:sc= -1.02 K(o=-1,f=-5.4!) USER MOD Single : A 96 HIS : no HD1:sc= 0.606 K(o=0.61,f=-1.9!) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.005) USER MOD Single : A 98 HIS : no HD1:sc= -0.298 X(o=-0.3,f=-0.32) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=-0.0093) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 1.326 1.040 -1.439 1.00 4.00 N ATOM 2 CA GLU A 1 2.087 1.242 -2.702 1.00 74.25 C ATOM 3 C GLU A 1 2.105 -0.050 -3.530 1.00 30.44 C ATOM 4 O GLU A 1 2.453 -1.117 -3.025 1.00 31.03 O ATOM 5 CB GLU A 1 3.533 1.692 -2.411 1.00 1.54 C ATOM 6 CG GLU A 1 3.649 2.992 -1.611 1.00 11.22 C ATOM 7 CD GLU A 1 3.263 2.837 -0.145 1.00 42.34 C ATOM 8 OE1 GLU A 1 4.126 2.450 0.668 1.00 34.24 O ATOM 9 OE2 GLU A 1 2.089 3.090 0.199 1.00 5.44 O ATOM 0 H1 GLU A 1 1.221 1.950 -0.947 1.00 4.00 H new ATOM 0 H2 GLU A 1 0.385 0.655 -1.658 1.00 4.00 H new ATOM 0 H3 GLU A 1 1.839 0.373 -0.827 1.00 4.00 H new ATOM 0 HA GLU A 1 1.586 2.026 -3.271 1.00 74.25 H new ATOM 0 HB2 GLU A 1 4.043 0.898 -1.865 1.00 1.54 H new ATOM 0 HB3 GLU A 1 4.058 1.816 -3.358 1.00 1.54 H new ATOM 0 HG2 GLU A 1 4.674 3.357 -1.672 1.00 11.22 H new ATOM 0 HG3 GLU A 1 3.013 3.749 -2.068 1.00 11.22 H new ATOM 18 N ASP A 2 1.731 0.048 -4.804 1.00 51.33 N ATOM 19 CA ASP A 2 1.623 -1.128 -5.678 1.00 54.33 C ATOM 20 C ASP A 2 2.524 -0.981 -6.915 1.00 42.33 C ATOM 21 O ASP A 2 2.956 0.125 -7.239 1.00 14.32 O ATOM 22 CB ASP A 2 0.163 -1.310 -6.116 1.00 71.30 C ATOM 23 CG ASP A 2 -0.798 -1.274 -4.942 1.00 4.04 C ATOM 24 OD1 ASP A 2 -0.853 -2.262 -4.179 1.00 33.13 O ATOM 25 OD2 ASP A 2 -1.489 -0.247 -4.765 1.00 31.11 O ATOM 0 H ASP A 2 1.496 0.930 -5.259 1.00 51.33 H new ATOM 0 HA ASP A 2 1.952 -2.005 -5.120 1.00 54.33 H new ATOM 0 HB2 ASP A 2 -0.102 -0.525 -6.824 1.00 71.30 H new ATOM 0 HB3 ASP A 2 0.059 -2.260 -6.639 1.00 71.30 H new ATOM 30 N PRO A 3 2.824 -2.093 -7.628 1.00 11.22 N ATOM 31 CA PRO A 3 3.586 -2.042 -8.893 1.00 42.22 C ATOM 32 C PRO A 3 3.016 -1.016 -9.886 1.00 50.04 C ATOM 33 O PRO A 3 3.727 -0.502 -10.746 1.00 4.54 O ATOM 34 CB PRO A 3 3.440 -3.465 -9.445 1.00 44.13 C ATOM 35 CG PRO A 3 3.261 -4.317 -8.236 1.00 20.12 C ATOM 36 CD PRO A 3 2.476 -3.483 -7.254 1.00 51.34 C ATOM 0 HA PRO A 3 4.619 -1.731 -8.735 1.00 42.22 H new ATOM 0 HB2 PRO A 3 2.585 -3.544 -10.117 1.00 44.13 H new ATOM 0 HB3 PRO A 3 4.321 -3.763 -10.014 1.00 44.13 H new ATOM 0 HG2 PRO A 3 2.728 -5.236 -8.481 1.00 20.12 H new ATOM 0 HG3 PRO A 3 4.224 -4.609 -7.818 1.00 20.12 H new ATOM 0 HD2 PRO A 3 1.405 -3.665 -7.338 1.00 51.34 H new ATOM 0 HD3 PRO A 3 2.757 -3.704 -6.224 1.00 51.34 H new ATOM 44 N GLU A 4 1.723 -0.728 -9.746 1.00 23.32 N ATOM 45 CA GLU A 4 1.036 0.272 -10.570 1.00 54.23 C ATOM 46 C GLU A 4 1.720 1.650 -10.495 1.00 73.45 C ATOM 47 O GLU A 4 1.769 2.385 -11.485 1.00 22.40 O ATOM 48 CB GLU A 4 -0.426 0.387 -10.118 1.00 42.15 C ATOM 49 CG GLU A 4 -1.217 -0.913 -10.250 1.00 60.33 C ATOM 50 CD GLU A 4 -1.521 -1.272 -11.697 1.00 43.54 C ATOM 51 OE1 GLU A 4 -0.673 -1.910 -12.357 1.00 21.13 O ATOM 52 OE2 GLU A 4 -2.616 -0.909 -12.181 1.00 44.44 O ATOM 0 H GLU A 4 1.120 -1.180 -9.059 1.00 23.32 H new ATOM 0 HA GLU A 4 1.082 -0.058 -11.608 1.00 54.23 H new ATOM 0 HB2 GLU A 4 -0.450 0.712 -9.078 1.00 42.15 H new ATOM 0 HB3 GLU A 4 -0.918 1.162 -10.706 1.00 42.15 H new ATOM 0 HG2 GLU A 4 -0.654 -1.724 -9.789 1.00 60.33 H new ATOM 0 HG3 GLU A 4 -2.153 -0.822 -9.698 1.00 60.33 H new ATOM 59 N ASP A 5 2.246 1.991 -9.321 1.00 54.03 N ATOM 60 CA ASP A 5 2.942 3.265 -9.119 1.00 4.24 C ATOM 61 C ASP A 5 4.246 3.332 -9.943 1.00 22.10 C ATOM 62 O ASP A 5 5.045 2.391 -9.937 1.00 53.43 O ATOM 63 CB ASP A 5 3.247 3.463 -7.629 1.00 15.02 C ATOM 64 CG ASP A 5 1.988 3.531 -6.781 1.00 11.15 C ATOM 65 OD1 ASP A 5 1.448 2.468 -6.412 1.00 63.51 O ATOM 66 OD2 ASP A 5 1.528 4.650 -6.478 1.00 4.12 O ATOM 0 H ASP A 5 2.204 1.401 -8.490 1.00 54.03 H new ATOM 0 HA ASP A 5 2.288 4.066 -9.464 1.00 4.24 H new ATOM 0 HB2 ASP A 5 3.874 2.643 -7.278 1.00 15.02 H new ATOM 0 HB3 ASP A 5 3.820 4.381 -7.498 1.00 15.02 H new ATOM 71 N PRO A 6 4.475 4.457 -10.658 1.00 11.31 N ATOM 72 CA PRO A 6 5.659 4.643 -11.523 1.00 13.54 C ATOM 73 C PRO A 6 6.986 4.262 -10.845 1.00 13.21 C ATOM 74 O PRO A 6 7.745 3.440 -11.360 1.00 73.20 O ATOM 75 CB PRO A 6 5.636 6.142 -11.837 1.00 70.34 C ATOM 76 CG PRO A 6 4.202 6.536 -11.724 1.00 1.41 C ATOM 77 CD PRO A 6 3.589 5.638 -10.680 1.00 52.45 C ATOM 0 HA PRO A 6 5.609 3.997 -12.400 1.00 13.54 H new ATOM 0 HB2 PRO A 6 6.256 6.702 -11.137 1.00 70.34 H new ATOM 0 HB3 PRO A 6 6.023 6.342 -12.836 1.00 70.34 H new ATOM 0 HG2 PRO A 6 4.110 7.583 -11.437 1.00 1.41 H new ATOM 0 HG3 PRO A 6 3.692 6.422 -12.681 1.00 1.41 H new ATOM 0 HD2 PRO A 6 3.551 6.126 -9.706 1.00 52.45 H new ATOM 0 HD3 PRO A 6 2.566 5.365 -10.940 1.00 52.45 H new ATOM 85 N PHE A 7 7.259 4.860 -9.687 1.00 73.22 N ATOM 86 CA PHE A 7 8.497 4.586 -8.950 1.00 31.05 C ATOM 87 C PHE A 7 8.568 3.120 -8.491 1.00 54.11 C ATOM 88 O PHE A 7 9.651 2.537 -8.420 1.00 24.51 O ATOM 89 CB PHE A 7 8.623 5.529 -7.743 1.00 41.41 C ATOM 90 CG PHE A 7 9.883 5.324 -6.934 1.00 21.11 C ATOM 91 CD1 PHE A 7 11.111 5.766 -7.410 1.00 32.34 C ATOM 92 CD2 PHE A 7 9.840 4.685 -5.699 1.00 25.33 C ATOM 93 CE1 PHE A 7 12.264 5.579 -6.672 1.00 5.23 C ATOM 94 CE2 PHE A 7 10.992 4.497 -4.960 1.00 24.43 C ATOM 95 CZ PHE A 7 12.205 4.943 -5.448 1.00 33.24 C ATOM 0 H PHE A 7 6.643 5.537 -9.237 1.00 73.22 H new ATOM 0 HA PHE A 7 9.332 4.764 -9.628 1.00 31.05 H new ATOM 0 HB2 PHE A 7 8.593 6.560 -8.095 1.00 41.41 H new ATOM 0 HB3 PHE A 7 7.759 5.389 -7.093 1.00 41.41 H new ATOM 0 HD1 PHE A 7 11.165 6.262 -8.368 1.00 32.34 H new ATOM 0 HD2 PHE A 7 8.895 4.332 -5.313 1.00 25.33 H new ATOM 0 HE1 PHE A 7 13.212 5.930 -7.053 1.00 5.23 H new ATOM 0 HE2 PHE A 7 10.944 4.002 -4.001 1.00 24.43 H new ATOM 0 HZ PHE A 7 13.107 4.794 -4.872 1.00 33.24 H new ATOM 105 N THR A 8 7.415 2.520 -8.202 1.00 23.44 N ATOM 106 CA THR A 8 7.380 1.124 -7.737 1.00 22.03 C ATOM 107 C THR A 8 7.791 0.155 -8.853 1.00 34.20 C ATOM 108 O THR A 8 8.719 -0.633 -8.689 1.00 33.44 O ATOM 109 CB THR A 8 5.983 0.711 -7.216 1.00 22.15 C ATOM 110 OG1 THR A 8 5.514 1.648 -6.235 1.00 34.53 O ATOM 111 CG2 THR A 8 6.022 -0.686 -6.599 1.00 43.13 C ATOM 0 H THR A 8 6.501 2.966 -8.278 1.00 23.44 H new ATOM 0 HA THR A 8 8.092 1.066 -6.914 1.00 22.03 H new ATOM 0 HB THR A 8 5.301 0.705 -8.066 1.00 22.15 H new ATOM 0 HG1 THR A 8 4.658 1.339 -5.871 1.00 34.53 H new ATOM 0 HG21 THR A 8 5.028 -0.953 -6.240 1.00 43.13 H new ATOM 0 HG22 THR A 8 6.342 -1.407 -7.351 1.00 43.13 H new ATOM 0 HG23 THR A 8 6.724 -0.696 -5.765 1.00 43.13 H new ATOM 119 N ARG A 9 7.104 0.223 -9.992 1.00 51.25 N ATOM 120 CA ARG A 9 7.442 -0.621 -11.149 1.00 20.41 C ATOM 121 C ARG A 9 8.866 -0.321 -11.653 1.00 64.24 C ATOM 122 O ARG A 9 9.561 -1.206 -12.155 1.00 13.13 O ATOM 123 CB ARG A 9 6.404 -0.423 -12.263 1.00 14.35 C ATOM 124 CG ARG A 9 6.281 1.018 -12.758 1.00 73.32 C ATOM 125 CD ARG A 9 4.848 1.380 -13.145 1.00 52.10 C ATOM 126 NE ARG A 9 4.279 0.449 -14.114 1.00 20.43 N ATOM 127 CZ ARG A 9 2.996 0.282 -14.303 1.00 31.55 C ATOM 128 NH1 ARG A 9 2.128 1.011 -13.675 1.00 11.15 N ATOM 129 NH2 ARG A 9 2.583 -0.613 -15.132 1.00 42.42 N ATOM 0 H ARG A 9 6.313 0.849 -10.144 1.00 51.25 H new ATOM 0 HA ARG A 9 7.420 -1.666 -10.839 1.00 20.41 H new ATOM 0 HB2 ARG A 9 6.666 -1.063 -13.105 1.00 14.35 H new ATOM 0 HB3 ARG A 9 5.431 -0.755 -11.900 1.00 14.35 H new ATOM 0 HG2 ARG A 9 6.627 1.698 -11.979 1.00 73.32 H new ATOM 0 HG3 ARG A 9 6.934 1.161 -13.619 1.00 73.32 H new ATOM 0 HD2 ARG A 9 4.226 1.393 -12.250 1.00 52.10 H new ATOM 0 HD3 ARG A 9 4.831 2.388 -13.560 1.00 52.10 H new ATOM 0 HE ARG A 9 4.922 -0.106 -14.679 1.00 20.43 H new ATOM 0 HH11 ARG A 9 2.442 1.728 -13.021 1.00 11.15 H new ATOM 0 HH12 ARG A 9 1.131 0.867 -13.834 1.00 11.15 H new ATOM 0 HH21 ARG A 9 3.256 -1.188 -15.638 1.00 42.42 H new ATOM 0 HH22 ARG A 9 1.583 -0.746 -15.282 1.00 42.42 H new ATOM 143 N TYR A 10 9.293 0.932 -11.495 1.00 31.00 N ATOM 144 CA TYR A 10 10.679 1.331 -11.769 1.00 71.21 C ATOM 145 C TYR A 10 11.654 0.566 -10.855 1.00 42.05 C ATOM 146 O TYR A 10 12.677 0.047 -11.309 1.00 65.12 O ATOM 147 CB TYR A 10 10.823 2.847 -11.558 1.00 32.11 C ATOM 148 CG TYR A 10 12.229 3.389 -11.746 1.00 24.03 C ATOM 149 CD1 TYR A 10 12.682 3.794 -12.998 1.00 15.12 C ATOM 150 CD2 TYR A 10 13.099 3.510 -10.665 1.00 52.13 C ATOM 151 CE1 TYR A 10 13.957 4.300 -13.166 1.00 72.11 C ATOM 152 CE2 TYR A 10 14.372 4.013 -10.827 1.00 53.11 C ATOM 153 CZ TYR A 10 14.797 4.407 -12.077 1.00 62.42 C ATOM 154 OH TYR A 10 16.069 4.906 -12.237 1.00 20.21 O ATOM 0 H TYR A 10 8.696 1.695 -11.176 1.00 31.00 H new ATOM 0 HA TYR A 10 10.924 1.086 -12.803 1.00 71.21 H new ATOM 0 HB2 TYR A 10 10.156 3.360 -12.251 1.00 32.11 H new ATOM 0 HB3 TYR A 10 10.487 3.092 -10.551 1.00 32.11 H new ATOM 0 HD1 TYR A 10 12.026 3.712 -13.852 1.00 15.12 H new ATOM 0 HD2 TYR A 10 12.770 3.204 -9.683 1.00 52.13 H new ATOM 0 HE1 TYR A 10 14.294 4.610 -14.144 1.00 72.11 H new ATOM 0 HE2 TYR A 10 15.034 4.098 -9.978 1.00 53.11 H new ATOM 0 HH TYR A 10 16.528 4.915 -11.371 1.00 20.21 H new ATOM 164 N ALA A 11 11.320 0.501 -9.565 1.00 65.31 N ATOM 165 CA ALA A 11 12.118 -0.243 -8.585 1.00 41.45 C ATOM 166 C ALA A 11 12.127 -1.747 -8.897 1.00 0.10 C ATOM 167 O ALA A 11 13.182 -2.382 -8.905 1.00 43.44 O ATOM 168 CB ALA A 11 11.586 0.008 -7.177 1.00 53.03 C ATOM 0 H ALA A 11 10.497 0.957 -9.171 1.00 65.31 H new ATOM 0 HA ALA A 11 13.146 0.113 -8.645 1.00 41.45 H new ATOM 0 HB1 ALA A 11 12.185 -0.549 -6.457 1.00 53.03 H new ATOM 0 HB2 ALA A 11 11.644 1.073 -6.951 1.00 53.03 H new ATOM 0 HB3 ALA A 11 10.548 -0.320 -7.116 1.00 53.03 H new ATOM 174 N LEU A 12 10.944 -2.311 -9.160 1.00 43.13 N ATOM 175 CA LEU A 12 10.821 -3.725 -9.541 1.00 45.34 C ATOM 176 C LEU A 12 11.660 -4.047 -10.788 1.00 24.21 C ATOM 177 O LEU A 12 12.190 -5.151 -10.923 1.00 24.44 O ATOM 178 CB LEU A 12 9.345 -4.106 -9.772 1.00 75.03 C ATOM 179 CG LEU A 12 8.560 -4.537 -8.516 1.00 24.20 C ATOM 180 CD1 LEU A 12 9.164 -5.803 -7.911 1.00 61.35 C ATOM 181 CD2 LEU A 12 8.516 -3.419 -7.478 1.00 64.10 C ATOM 0 H LEU A 12 10.056 -1.811 -9.116 1.00 43.13 H new ATOM 0 HA LEU A 12 11.207 -4.321 -8.714 1.00 45.34 H new ATOM 0 HB2 LEU A 12 8.835 -3.254 -10.222 1.00 75.03 H new ATOM 0 HB3 LEU A 12 9.308 -4.919 -10.497 1.00 75.03 H new ATOM 0 HG LEU A 12 7.536 -4.751 -8.822 1.00 24.20 H new ATOM 0 HD11 LEU A 12 8.596 -6.090 -7.026 1.00 61.35 H new ATOM 0 HD12 LEU A 12 9.127 -6.609 -8.643 1.00 61.35 H new ATOM 0 HD13 LEU A 12 10.200 -5.614 -7.631 1.00 61.35 H new ATOM 0 HD21 LEU A 12 7.956 -3.755 -6.605 1.00 64.10 H new ATOM 0 HD22 LEU A 12 9.532 -3.160 -7.179 1.00 64.10 H new ATOM 0 HD23 LEU A 12 8.029 -2.543 -7.907 1.00 64.10 H new ATOM 193 N ALA A 13 11.780 -3.084 -11.698 1.00 24.24 N ATOM 194 CA ALA A 13 12.673 -3.229 -12.850 1.00 54.22 C ATOM 195 C ALA A 13 14.127 -3.425 -12.389 1.00 44.32 C ATOM 196 O ALA A 13 14.815 -4.348 -12.831 1.00 52.31 O ATOM 197 CB ALA A 13 12.555 -2.016 -13.767 1.00 72.43 C ATOM 0 H ALA A 13 11.274 -2.199 -11.663 1.00 24.24 H new ATOM 0 HA ALA A 13 12.374 -4.115 -13.410 1.00 54.22 H new ATOM 0 HB1 ALA A 13 13.224 -2.137 -14.619 1.00 72.43 H new ATOM 0 HB2 ALA A 13 11.528 -1.927 -14.122 1.00 72.43 H new ATOM 0 HB3 ALA A 13 12.828 -1.116 -13.216 1.00 72.43 H new ATOM 203 N GLN A 14 14.576 -2.563 -11.477 1.00 4.45 N ATOM 204 CA GLN A 14 15.923 -2.666 -10.904 1.00 3.24 C ATOM 205 C GLN A 14 16.089 -3.984 -10.126 1.00 62.25 C ATOM 206 O GLN A 14 17.177 -4.563 -10.085 1.00 21.05 O ATOM 207 CB GLN A 14 16.206 -1.460 -9.997 1.00 20.52 C ATOM 208 CG GLN A 14 16.109 -0.122 -10.725 1.00 52.43 C ATOM 209 CD GLN A 14 16.448 1.069 -9.843 1.00 31.45 C ATOM 210 OE1 GLN A 14 16.231 1.052 -8.634 1.00 4.30 O ATOM 211 NE2 GLN A 14 16.982 2.114 -10.442 1.00 52.32 N ATOM 0 H GLN A 14 14.027 -1.783 -11.117 1.00 4.45 H new ATOM 0 HA GLN A 14 16.646 -2.665 -11.720 1.00 3.24 H new ATOM 0 HB2 GLN A 14 15.501 -1.466 -9.166 1.00 20.52 H new ATOM 0 HB3 GLN A 14 17.203 -1.562 -9.569 1.00 20.52 H new ATOM 0 HG2 GLN A 14 16.782 -0.133 -11.582 1.00 52.43 H new ATOM 0 HG3 GLN A 14 15.098 -0.001 -11.114 1.00 52.43 H new ATOM 0 HE21 GLN A 14 17.149 2.095 -11.448 1.00 52.32 H new ATOM 0 HE22 GLN A 14 17.228 2.942 -9.900 1.00 52.32 H new ATOM 220 N GLU A 15 15.003 -4.451 -9.511 1.00 3.23 N ATOM 221 CA GLU A 15 14.977 -5.779 -8.888 1.00 63.52 C ATOM 222 C GLU A 15 15.310 -6.862 -9.922 1.00 65.14 C ATOM 223 O GLU A 15 16.204 -7.682 -9.713 1.00 64.50 O ATOM 224 CB GLU A 15 13.599 -6.061 -8.272 1.00 20.41 C ATOM 225 CG GLU A 15 13.213 -5.113 -7.141 1.00 52.22 C ATOM 226 CD GLU A 15 14.059 -5.315 -5.898 1.00 60.13 C ATOM 227 OE1 GLU A 15 13.688 -6.155 -5.053 1.00 41.11 O ATOM 228 OE2 GLU A 15 15.105 -4.648 -5.765 1.00 11.15 O ATOM 0 H GLU A 15 14.129 -3.932 -9.429 1.00 3.23 H new ATOM 0 HA GLU A 15 15.728 -5.797 -8.098 1.00 63.52 H new ATOM 0 HB2 GLU A 15 12.844 -6.000 -9.056 1.00 20.41 H new ATOM 0 HB3 GLU A 15 13.585 -7.083 -7.895 1.00 20.41 H new ATOM 0 HG2 GLU A 15 13.316 -4.083 -7.483 1.00 52.22 H new ATOM 0 HG3 GLU A 15 12.163 -5.261 -6.890 1.00 52.22 H new ATOM 235 N HIS A 16 14.593 -6.840 -11.046 1.00 11.14 N ATOM 236 CA HIS A 16 14.820 -7.800 -12.134 1.00 50.23 C ATOM 237 C HIS A 16 16.270 -7.747 -12.651 1.00 12.30 C ATOM 238 O HIS A 16 16.871 -8.786 -12.924 1.00 23.15 O ATOM 239 CB HIS A 16 13.837 -7.558 -13.287 1.00 11.11 C ATOM 240 CG HIS A 16 12.415 -7.910 -12.957 1.00 63.21 C ATOM 241 ND1 HIS A 16 11.995 -9.201 -12.721 1.00 3.44 N ATOM 242 CD2 HIS A 16 11.311 -7.136 -12.828 1.00 63.44 C ATOM 243 CE1 HIS A 16 10.703 -9.207 -12.466 1.00 1.42 C ATOM 244 NE2 HIS A 16 10.263 -7.970 -12.523 1.00 53.13 N ATOM 0 H HIS A 16 13.848 -6.168 -11.230 1.00 11.14 H new ATOM 0 HA HIS A 16 14.648 -8.796 -11.726 1.00 50.23 H new ATOM 0 HB2 HIS A 16 13.883 -6.508 -13.577 1.00 11.11 H new ATOM 0 HB3 HIS A 16 14.155 -8.142 -14.151 1.00 11.11 H new ATOM 0 HD2 HIS A 16 11.264 -6.063 -12.943 1.00 63.44 H new ATOM 0 HE1 HIS A 16 10.106 -10.080 -12.247 1.00 1.42 H new ATOM 0 HE2 HIS A 16 9.299 -7.677 -12.366 1.00 53.13 H new ATOM 253 N LEU A 17 16.826 -6.541 -12.781 1.00 25.41 N ATOM 254 CA LEU A 17 18.236 -6.374 -13.171 1.00 32.31 C ATOM 255 C LEU A 17 19.176 -7.075 -12.176 1.00 22.21 C ATOM 256 O LEU A 17 20.087 -7.808 -12.567 1.00 63.52 O ATOM 257 CB LEU A 17 18.597 -4.880 -13.253 1.00 61.11 C ATOM 258 CG LEU A 17 17.891 -4.085 -14.366 1.00 11.42 C ATOM 259 CD1 LEU A 17 18.226 -2.598 -14.271 1.00 24.42 C ATOM 260 CD2 LEU A 17 18.275 -4.630 -15.740 1.00 73.12 C ATOM 0 H LEU A 17 16.327 -5.665 -12.624 1.00 25.41 H new ATOM 0 HA LEU A 17 18.364 -6.832 -14.152 1.00 32.31 H new ATOM 0 HB2 LEU A 17 18.363 -4.415 -12.295 1.00 61.11 H new ATOM 0 HB3 LEU A 17 19.674 -4.792 -13.396 1.00 61.11 H new ATOM 0 HG LEU A 17 16.815 -4.201 -14.234 1.00 11.42 H new ATOM 0 HD11 LEU A 17 17.715 -2.058 -15.068 1.00 24.42 H new ATOM 0 HD12 LEU A 17 17.900 -2.213 -13.305 1.00 24.42 H new ATOM 0 HD13 LEU A 17 19.303 -2.460 -14.372 1.00 24.42 H new ATOM 0 HD21 LEU A 17 17.766 -4.056 -16.514 1.00 73.12 H new ATOM 0 HD22 LEU A 17 19.353 -4.547 -15.876 1.00 73.12 H new ATOM 0 HD23 LEU A 17 17.980 -5.677 -15.812 1.00 73.12 H new ATOM 272 N LYS A 18 18.937 -6.850 -10.884 1.00 73.44 N ATOM 273 CA LYS A 18 19.737 -7.475 -9.822 1.00 62.34 C ATOM 274 C LYS A 18 19.455 -8.985 -9.712 1.00 22.13 C ATOM 275 O LYS A 18 20.150 -9.706 -8.999 1.00 23.13 O ATOM 276 CB LYS A 18 19.472 -6.778 -8.475 1.00 41.20 C ATOM 277 CG LYS A 18 19.849 -5.297 -8.472 1.00 2.04 C ATOM 278 CD LYS A 18 19.693 -4.638 -7.097 1.00 4.40 C ATOM 279 CE LYS A 18 18.232 -4.484 -6.669 1.00 34.54 C ATOM 280 NZ LYS A 18 17.626 -5.761 -6.197 1.00 75.12 N ATOM 0 H LYS A 18 18.195 -6.239 -10.544 1.00 73.44 H new ATOM 0 HA LYS A 18 20.788 -7.355 -10.083 1.00 62.34 H new ATOM 0 HB2 LYS A 18 18.416 -6.877 -8.225 1.00 41.20 H new ATOM 0 HB3 LYS A 18 20.033 -7.290 -7.693 1.00 41.20 H new ATOM 0 HG2 LYS A 18 20.882 -5.191 -8.804 1.00 2.04 H new ATOM 0 HG3 LYS A 18 19.226 -4.769 -9.194 1.00 2.04 H new ATOM 0 HD2 LYS A 18 20.223 -5.233 -6.353 1.00 4.40 H new ATOM 0 HD3 LYS A 18 20.166 -3.656 -7.115 1.00 4.40 H new ATOM 0 HE2 LYS A 18 18.169 -3.742 -5.873 1.00 34.54 H new ATOM 0 HE3 LYS A 18 17.652 -4.101 -7.508 1.00 34.54 H new ATOM 0 HZ1 LYS A 18 16.759 -5.556 -5.661 1.00 75.12 H new ATOM 0 HZ2 LYS A 18 17.394 -6.359 -7.016 1.00 75.12 H new ATOM 0 HZ3 LYS A 18 18.302 -6.261 -5.585 1.00 75.12 H new ATOM 294 N HIS A 19 18.422 -9.454 -10.414 1.00 71.33 N ATOM 295 CA HIS A 19 18.092 -10.884 -10.465 1.00 32.40 C ATOM 296 C HIS A 19 18.211 -11.437 -11.901 1.00 11.21 C ATOM 297 O HIS A 19 17.411 -12.278 -12.320 1.00 64.52 O ATOM 298 CB HIS A 19 16.679 -11.118 -9.908 1.00 72.15 C ATOM 299 CG HIS A 19 16.579 -10.939 -8.420 1.00 65.00 C ATOM 300 ND1 HIS A 19 16.602 -11.995 -7.534 1.00 74.12 N ATOM 301 CD2 HIS A 19 16.457 -9.822 -7.660 1.00 5.00 C ATOM 302 CE1 HIS A 19 16.497 -11.540 -6.302 1.00 73.45 C ATOM 303 NE2 HIS A 19 16.410 -10.228 -6.351 1.00 10.44 N ATOM 0 H HIS A 19 17.795 -8.862 -10.959 1.00 71.33 H new ATOM 0 HA HIS A 19 18.810 -11.422 -9.846 1.00 32.40 H new ATOM 0 HB2 HIS A 19 15.988 -10.430 -10.395 1.00 72.15 H new ATOM 0 HB3 HIS A 19 16.359 -12.128 -10.166 1.00 72.15 H new ATOM 0 HD2 HIS A 19 16.406 -8.804 -8.018 1.00 5.00 H new ATOM 0 HE1 HIS A 19 16.484 -12.141 -5.405 1.00 73.45 H new ATOM 0 HE2 HIS A 19 16.322 -9.611 -5.544 1.00 10.44 H new ATOM 312 N ASP A 20 19.205 -10.937 -12.652 1.00 24.51 N ATOM 313 CA ASP A 20 19.561 -11.470 -13.987 1.00 74.51 C ATOM 314 C ASP A 20 18.569 -11.066 -15.101 1.00 22.43 C ATOM 315 O ASP A 20 18.938 -11.011 -16.278 1.00 25.55 O ATOM 316 CB ASP A 20 19.700 -13.002 -13.927 1.00 64.43 C ATOM 317 CG ASP A 20 20.017 -13.625 -15.277 1.00 33.13 C ATOM 318 OD1 ASP A 20 21.204 -13.635 -15.670 1.00 72.15 O ATOM 319 OD2 ASP A 20 19.080 -14.098 -15.960 1.00 44.35 O ATOM 0 H ASP A 20 19.787 -10.153 -12.356 1.00 24.51 H new ATOM 0 HA ASP A 20 20.517 -11.019 -14.252 1.00 74.51 H new ATOM 0 HB2 ASP A 20 20.487 -13.262 -13.220 1.00 64.43 H new ATOM 0 HB3 ASP A 20 18.774 -13.430 -13.544 1.00 64.43 H new ATOM 324 N ASN A 21 17.327 -10.768 -14.741 1.00 33.30 N ATOM 325 CA ASN A 21 16.278 -10.509 -15.733 1.00 3.30 C ATOM 326 C ASN A 21 16.397 -9.108 -16.362 1.00 54.42 C ATOM 327 O ASN A 21 15.594 -8.214 -16.084 1.00 63.44 O ATOM 328 CB ASN A 21 14.897 -10.698 -15.096 1.00 71.54 C ATOM 329 CG ASN A 21 14.614 -12.138 -14.706 1.00 20.32 C ATOM 330 OD1 ASN A 21 13.969 -12.402 -13.698 1.00 11.22 O ATOM 331 ND2 ASN A 21 15.054 -13.078 -15.518 1.00 55.22 N ATOM 0 H ASN A 21 17.016 -10.698 -13.772 1.00 33.30 H new ATOM 0 HA ASN A 21 16.406 -11.229 -16.541 1.00 3.30 H new ATOM 0 HB2 ASN A 21 14.822 -10.066 -14.211 1.00 71.54 H new ATOM 0 HB3 ASN A 21 14.132 -10.360 -15.795 1.00 71.54 H new ATOM 0 HD21 ASN A 21 14.860 -14.059 -15.315 1.00 55.22 H new ATOM 0 HD22 ASN A 21 15.588 -12.825 -16.349 1.00 55.22 H new ATOM 338 N ALA A 22 17.403 -8.933 -17.219 1.00 4.11 N ATOM 339 CA ALA A 22 17.630 -7.658 -17.909 1.00 60.31 C ATOM 340 C ALA A 22 16.487 -7.322 -18.881 1.00 21.10 C ATOM 341 O ALA A 22 15.923 -6.230 -18.831 1.00 60.03 O ATOM 342 CB ALA A 22 18.964 -7.698 -18.649 1.00 42.32 C ATOM 0 H ALA A 22 18.078 -9.661 -17.454 1.00 4.11 H new ATOM 0 HA ALA A 22 17.658 -6.870 -17.156 1.00 60.31 H new ATOM 0 HB1 ALA A 22 19.126 -6.748 -19.159 1.00 42.32 H new ATOM 0 HB2 ALA A 22 19.771 -7.869 -17.936 1.00 42.32 H new ATOM 0 HB3 ALA A 22 18.950 -8.505 -19.381 1.00 42.32 H new ATOM 348 N SER A 23 16.143 -8.268 -19.757 1.00 61.32 N ATOM 349 CA SER A 23 15.050 -8.071 -20.727 1.00 62.31 C ATOM 350 C SER A 23 13.709 -7.796 -20.028 1.00 41.33 C ATOM 351 O SER A 23 12.923 -6.963 -20.477 1.00 10.03 O ATOM 352 CB SER A 23 14.916 -9.292 -21.653 1.00 31.24 C ATOM 353 OG SER A 23 16.072 -9.463 -22.459 1.00 63.24 O ATOM 0 H SER A 23 16.600 -9.178 -19.819 1.00 61.32 H new ATOM 0 HA SER A 23 15.305 -7.196 -21.324 1.00 62.31 H new ATOM 0 HB2 SER A 23 14.753 -10.188 -21.054 1.00 31.24 H new ATOM 0 HB3 SER A 23 14.041 -9.172 -22.291 1.00 31.24 H new ATOM 0 HG SER A 23 15.956 -10.248 -23.035 1.00 63.24 H new ATOM 359 N ARG A 24 13.456 -8.495 -18.921 1.00 12.50 N ATOM 360 CA ARG A 24 12.232 -8.280 -18.136 1.00 34.11 C ATOM 361 C ARG A 24 12.160 -6.842 -17.595 1.00 0.31 C ATOM 362 O ARG A 24 11.112 -6.198 -17.650 1.00 4.02 O ATOM 363 CB ARG A 24 12.156 -9.280 -16.973 1.00 40.12 C ATOM 364 CG ARG A 24 12.052 -10.740 -17.408 1.00 62.40 C ATOM 365 CD ARG A 24 10.862 -10.969 -18.336 1.00 35.42 C ATOM 366 NE ARG A 24 10.609 -12.386 -18.578 1.00 52.01 N ATOM 367 CZ ARG A 24 9.938 -12.847 -19.599 1.00 55.52 C ATOM 368 NH1 ARG A 24 9.544 -12.051 -20.545 1.00 51.55 N ATOM 369 NH2 ARG A 24 9.677 -14.110 -19.676 1.00 61.45 N ATOM 0 H ARG A 24 14.077 -9.212 -18.546 1.00 12.50 H new ATOM 0 HA ARG A 24 11.382 -8.439 -18.800 1.00 34.11 H new ATOM 0 HB2 ARG A 24 13.041 -9.161 -16.348 1.00 40.12 H new ATOM 0 HB3 ARG A 24 11.293 -9.035 -16.354 1.00 40.12 H new ATOM 0 HG2 ARG A 24 12.971 -11.035 -17.915 1.00 62.40 H new ATOM 0 HG3 ARG A 24 11.955 -11.376 -16.528 1.00 62.40 H new ATOM 0 HD2 ARG A 24 9.973 -10.513 -17.901 1.00 35.42 H new ATOM 0 HD3 ARG A 24 11.044 -10.468 -19.287 1.00 35.42 H new ATOM 0 HE ARG A 24 10.980 -13.059 -17.907 1.00 52.01 H new ATOM 0 HH11 ARG A 24 9.758 -11.055 -20.495 1.00 51.55 H new ATOM 0 HH12 ARG A 24 9.020 -12.421 -21.338 1.00 51.55 H new ATOM 0 HH21 ARG A 24 9.995 -14.742 -18.941 1.00 61.45 H new ATOM 0 HH22 ARG A 24 9.153 -14.475 -20.472 1.00 61.45 H new ATOM 383 N ALA A 25 13.281 -6.348 -17.072 1.00 33.23 N ATOM 384 CA ALA A 25 13.369 -4.962 -16.602 1.00 32.55 C ATOM 385 C ALA A 25 13.218 -3.976 -17.769 1.00 32.45 C ATOM 386 O ALA A 25 12.505 -2.977 -17.668 1.00 31.11 O ATOM 387 CB ALA A 25 14.694 -4.738 -15.888 1.00 60.24 C ATOM 0 H ALA A 25 14.142 -6.885 -16.962 1.00 33.23 H new ATOM 0 HA ALA A 25 12.553 -4.783 -15.902 1.00 32.55 H new ATOM 0 HB1 ALA A 25 14.751 -3.706 -15.542 1.00 60.24 H new ATOM 0 HB2 ALA A 25 14.765 -5.411 -15.034 1.00 60.24 H new ATOM 0 HB3 ALA A 25 15.516 -4.936 -16.576 1.00 60.24 H new ATOM 393 N LEU A 26 13.892 -4.283 -18.876 1.00 71.52 N ATOM 394 CA LEU A 26 13.815 -3.479 -20.101 1.00 55.23 C ATOM 395 C LEU A 26 12.354 -3.268 -20.533 1.00 74.52 C ATOM 396 O LEU A 26 11.947 -2.153 -20.869 1.00 15.33 O ATOM 397 CB LEU A 26 14.613 -4.175 -21.217 1.00 3.41 C ATOM 398 CG LEU A 26 14.745 -3.401 -22.540 1.00 13.52 C ATOM 399 CD1 LEU A 26 15.432 -2.058 -22.314 1.00 41.42 C ATOM 400 CD2 LEU A 26 15.514 -4.229 -23.568 1.00 34.44 C ATOM 0 H LEU A 26 14.506 -5.094 -18.952 1.00 71.52 H new ATOM 0 HA LEU A 26 14.246 -2.497 -19.906 1.00 55.23 H new ATOM 0 HB2 LEU A 26 15.614 -4.386 -20.842 1.00 3.41 H new ATOM 0 HB3 LEU A 26 14.142 -5.135 -21.427 1.00 3.41 H new ATOM 0 HG LEU A 26 13.744 -3.211 -22.927 1.00 13.52 H new ATOM 0 HD11 LEU A 26 15.515 -1.528 -23.263 1.00 41.42 H new ATOM 0 HD12 LEU A 26 14.845 -1.462 -21.615 1.00 41.42 H new ATOM 0 HD13 LEU A 26 16.428 -2.223 -21.903 1.00 41.42 H new ATOM 0 HD21 LEU A 26 15.598 -3.667 -24.498 1.00 34.44 H new ATOM 0 HD22 LEU A 26 16.511 -4.450 -23.186 1.00 34.44 H new ATOM 0 HD23 LEU A 26 14.982 -5.162 -23.755 1.00 34.44 H new ATOM 412 N ALA A 27 11.570 -4.345 -20.495 1.00 53.34 N ATOM 413 CA ALA A 27 10.141 -4.283 -20.814 1.00 30.43 C ATOM 414 C ALA A 27 9.388 -3.328 -19.870 1.00 34.11 C ATOM 415 O ALA A 27 8.502 -2.587 -20.301 1.00 23.11 O ATOM 416 CB ALA A 27 9.532 -5.681 -20.756 1.00 24.12 C ATOM 0 H ALA A 27 11.901 -5.277 -20.245 1.00 53.34 H new ATOM 0 HA ALA A 27 10.040 -3.889 -21.825 1.00 30.43 H new ATOM 0 HB1 ALA A 27 8.470 -5.625 -20.994 1.00 24.12 H new ATOM 0 HB2 ALA A 27 10.033 -6.326 -21.478 1.00 24.12 H new ATOM 0 HB3 ALA A 27 9.658 -6.091 -19.754 1.00 24.12 H new ATOM 422 N LEU A 28 9.750 -3.342 -18.584 1.00 3.55 N ATOM 423 CA LEU A 28 9.129 -2.446 -17.596 1.00 41.12 C ATOM 424 C LEU A 28 9.465 -0.974 -17.882 1.00 33.11 C ATOM 425 O LEU A 28 8.602 -0.100 -17.779 1.00 63.32 O ATOM 426 CB LEU A 28 9.563 -2.819 -16.170 1.00 42.41 C ATOM 427 CG LEU A 28 9.082 -4.193 -15.675 1.00 22.04 C ATOM 428 CD1 LEU A 28 9.554 -4.449 -14.247 1.00 53.33 C ATOM 429 CD2 LEU A 28 7.562 -4.298 -15.765 1.00 4.15 C ATOM 0 H LEU A 28 10.466 -3.959 -18.201 1.00 3.55 H new ATOM 0 HA LEU A 28 8.049 -2.570 -17.678 1.00 41.12 H new ATOM 0 HB2 LEU A 28 10.652 -2.794 -16.121 1.00 42.41 H new ATOM 0 HB3 LEU A 28 9.196 -2.055 -15.485 1.00 42.41 H new ATOM 0 HG LEU A 28 9.516 -4.957 -16.320 1.00 22.04 H new ATOM 0 HD11 LEU A 28 9.202 -5.427 -13.917 1.00 53.33 H new ATOM 0 HD12 LEU A 28 10.643 -4.425 -14.214 1.00 53.33 H new ATOM 0 HD13 LEU A 28 9.154 -3.678 -13.588 1.00 53.33 H new ATOM 0 HD21 LEU A 28 7.243 -5.278 -15.410 1.00 4.15 H new ATOM 0 HD22 LEU A 28 7.107 -3.523 -15.149 1.00 4.15 H new ATOM 0 HD23 LEU A 28 7.249 -4.168 -16.801 1.00 4.15 H new ATOM 441 N PHE A 29 10.717 -0.696 -18.240 1.00 61.25 N ATOM 442 CA PHE A 29 11.109 0.660 -18.639 1.00 70.45 C ATOM 443 C PHE A 29 10.327 1.107 -19.888 1.00 32.13 C ATOM 444 O PHE A 29 9.832 2.232 -19.955 1.00 43.01 O ATOM 445 CB PHE A 29 12.621 0.743 -18.890 1.00 42.11 C ATOM 446 CG PHE A 29 13.459 0.589 -17.643 1.00 12.21 C ATOM 447 CD1 PHE A 29 13.441 1.565 -16.655 1.00 2.22 C ATOM 448 CD2 PHE A 29 14.263 -0.526 -17.458 1.00 61.54 C ATOM 449 CE1 PHE A 29 14.206 1.430 -15.512 1.00 72.13 C ATOM 450 CE2 PHE A 29 15.031 -0.665 -16.316 1.00 2.20 C ATOM 451 CZ PHE A 29 15.003 0.315 -15.343 1.00 72.52 C ATOM 0 H PHE A 29 11.472 -1.381 -18.263 1.00 61.25 H new ATOM 0 HA PHE A 29 10.864 1.336 -17.820 1.00 70.45 H new ATOM 0 HB2 PHE A 29 12.904 -0.031 -19.603 1.00 42.11 H new ATOM 0 HB3 PHE A 29 12.850 1.703 -19.353 1.00 42.11 H new ATOM 0 HD1 PHE A 29 12.821 2.440 -16.782 1.00 2.22 H new ATOM 0 HD2 PHE A 29 14.290 -1.296 -18.215 1.00 61.54 H new ATOM 0 HE1 PHE A 29 14.181 2.196 -14.751 1.00 72.13 H new ATOM 0 HE2 PHE A 29 15.652 -1.539 -16.185 1.00 2.20 H new ATOM 0 HZ PHE A 29 15.603 0.209 -14.452 1.00 72.52 H new ATOM 461 N GLU A 30 10.204 0.213 -20.870 1.00 2.33 N ATOM 462 CA GLU A 30 9.370 0.476 -22.051 1.00 34.00 C ATOM 463 C GLU A 30 7.898 0.682 -21.651 1.00 41.21 C ATOM 464 O GLU A 30 7.195 1.518 -22.224 1.00 53.41 O ATOM 465 CB GLU A 30 9.494 -0.674 -23.065 1.00 64.13 C ATOM 466 CG GLU A 30 10.882 -0.793 -23.689 1.00 15.23 C ATOM 467 CD GLU A 30 10.988 -1.920 -24.707 1.00 12.12 C ATOM 468 OE1 GLU A 30 10.215 -1.916 -25.693 1.00 5.13 O ATOM 469 OE2 GLU A 30 11.865 -2.795 -24.551 1.00 32.24 O ATOM 0 H GLU A 30 10.667 -0.696 -20.875 1.00 2.33 H new ATOM 0 HA GLU A 30 9.727 1.394 -22.519 1.00 34.00 H new ATOM 0 HB2 GLU A 30 9.246 -1.613 -22.569 1.00 64.13 H new ATOM 0 HB3 GLU A 30 8.760 -0.529 -23.858 1.00 64.13 H new ATOM 0 HG2 GLU A 30 11.138 0.150 -24.173 1.00 15.23 H new ATOM 0 HG3 GLU A 30 11.615 -0.955 -22.899 1.00 15.23 H new ATOM 476 N GLU A 31 7.448 -0.078 -20.654 1.00 41.42 N ATOM 477 CA GLU A 31 6.093 0.065 -20.108 1.00 11.44 C ATOM 478 C GLU A 31 5.872 1.478 -19.539 1.00 60.25 C ATOM 479 O GLU A 31 4.818 2.086 -19.733 1.00 73.32 O ATOM 480 CB GLU A 31 5.856 -0.990 -19.018 1.00 41.20 C ATOM 481 CG GLU A 31 4.506 -0.873 -18.323 1.00 31.14 C ATOM 482 CD GLU A 31 4.318 -1.906 -17.223 1.00 40.14 C ATOM 483 OE1 GLU A 31 4.892 -1.727 -16.126 1.00 70.51 O ATOM 484 OE2 GLU A 31 3.562 -2.877 -17.431 1.00 74.51 O ATOM 0 H GLU A 31 8.004 -0.805 -20.203 1.00 41.42 H new ATOM 0 HA GLU A 31 5.378 -0.088 -20.917 1.00 11.44 H new ATOM 0 HB2 GLU A 31 5.939 -1.982 -19.463 1.00 41.20 H new ATOM 0 HB3 GLU A 31 6.646 -0.909 -18.271 1.00 41.20 H new ATOM 0 HG2 GLU A 31 4.407 0.126 -17.898 1.00 31.14 H new ATOM 0 HG3 GLU A 31 3.712 -0.986 -19.061 1.00 31.14 H new ATOM 491 N LEU A 32 6.874 1.997 -18.838 1.00 11.33 N ATOM 492 CA LEU A 32 6.827 3.368 -18.319 1.00 11.42 C ATOM 493 C LEU A 32 6.727 4.399 -19.456 1.00 22.41 C ATOM 494 O LEU A 32 5.992 5.375 -19.354 1.00 54.42 O ATOM 495 CB LEU A 32 8.065 3.647 -17.456 1.00 73.30 C ATOM 496 CG LEU A 32 8.109 2.914 -16.105 1.00 42.53 C ATOM 497 CD1 LEU A 32 9.489 3.036 -15.458 1.00 1.52 C ATOM 498 CD2 LEU A 32 7.028 3.459 -15.173 1.00 73.41 C ATOM 0 H LEU A 32 7.731 1.492 -18.613 1.00 11.33 H new ATOM 0 HA LEU A 32 5.932 3.464 -17.705 1.00 11.42 H new ATOM 0 HB2 LEU A 32 8.953 3.375 -18.026 1.00 73.30 H new ATOM 0 HB3 LEU A 32 8.122 4.719 -17.270 1.00 73.30 H new ATOM 0 HG LEU A 32 7.916 1.856 -16.284 1.00 42.53 H new ATOM 0 HD11 LEU A 32 9.492 2.509 -14.504 1.00 1.52 H new ATOM 0 HD12 LEU A 32 10.240 2.599 -16.116 1.00 1.52 H new ATOM 0 HD13 LEU A 32 9.721 4.088 -15.292 1.00 1.52 H new ATOM 0 HD21 LEU A 32 7.070 2.932 -14.220 1.00 73.41 H new ATOM 0 HD22 LEU A 32 7.194 4.523 -15.006 1.00 73.41 H new ATOM 0 HD23 LEU A 32 6.048 3.311 -15.627 1.00 73.41 H new ATOM 510 N VAL A 33 7.455 4.165 -20.544 1.00 40.14 N ATOM 511 CA VAL A 33 7.453 5.075 -21.701 1.00 51.40 C ATOM 512 C VAL A 33 6.069 5.167 -22.374 1.00 70.21 C ATOM 513 O VAL A 33 5.644 6.243 -22.805 1.00 43.11 O ATOM 514 CB VAL A 33 8.507 4.632 -22.751 1.00 54.44 C ATOM 515 CG1 VAL A 33 8.467 5.521 -23.992 1.00 5.00 C ATOM 516 CG2 VAL A 33 9.904 4.635 -22.141 1.00 4.45 C ATOM 0 H VAL A 33 8.059 3.351 -20.655 1.00 40.14 H new ATOM 0 HA VAL A 33 7.708 6.063 -21.318 1.00 51.40 H new ATOM 0 HB VAL A 33 8.260 3.616 -23.059 1.00 54.44 H new ATOM 0 HG11 VAL A 33 9.218 5.183 -24.706 1.00 5.00 H new ATOM 0 HG12 VAL A 33 7.479 5.463 -24.449 1.00 5.00 H new ATOM 0 HG13 VAL A 33 8.676 6.552 -23.708 1.00 5.00 H new ATOM 0 HG21 VAL A 33 10.630 4.322 -22.892 1.00 4.45 H new ATOM 0 HG22 VAL A 33 10.149 5.640 -21.797 1.00 4.45 H new ATOM 0 HG23 VAL A 33 9.934 3.945 -21.297 1.00 4.45 H new ATOM 526 N GLU A 34 5.374 4.036 -22.466 1.00 11.10 N ATOM 527 CA GLU A 34 4.055 3.991 -23.115 1.00 21.33 C ATOM 528 C GLU A 34 2.927 4.467 -22.177 1.00 15.33 C ATOM 529 O GLU A 34 1.901 4.972 -22.639 1.00 52.45 O ATOM 530 CB GLU A 34 3.762 2.568 -23.619 1.00 43.41 C ATOM 531 CG GLU A 34 3.782 1.511 -22.522 1.00 14.01 C ATOM 532 CD GLU A 34 3.527 0.104 -23.036 1.00 60.23 C ATOM 533 OE1 GLU A 34 4.497 -0.585 -23.415 1.00 21.31 O ATOM 534 OE2 GLU A 34 2.355 -0.326 -23.046 1.00 72.24 O ATOM 0 H GLU A 34 5.696 3.139 -22.103 1.00 11.10 H new ATOM 0 HA GLU A 34 4.084 4.678 -23.961 1.00 21.33 H new ATOM 0 HB2 GLU A 34 2.785 2.558 -24.103 1.00 43.41 H new ATOM 0 HB3 GLU A 34 4.497 2.303 -24.379 1.00 43.41 H new ATOM 0 HG2 GLU A 34 4.749 1.537 -22.020 1.00 14.01 H new ATOM 0 HG3 GLU A 34 3.028 1.759 -21.775 1.00 14.01 H new ATOM 541 N THR A 35 3.114 4.309 -20.863 1.00 12.51 N ATOM 542 CA THR A 35 2.069 4.669 -19.883 1.00 55.53 C ATOM 543 C THR A 35 2.256 6.083 -19.303 1.00 52.30 C ATOM 544 O THR A 35 1.294 6.849 -19.195 1.00 33.30 O ATOM 545 CB THR A 35 2.008 3.657 -18.712 1.00 5.40 C ATOM 546 OG1 THR A 35 3.270 3.610 -18.026 1.00 72.25 O ATOM 547 CG2 THR A 35 1.642 2.258 -19.210 1.00 24.21 C ATOM 0 H THR A 35 3.970 3.938 -20.450 1.00 12.51 H new ATOM 0 HA THR A 35 1.132 4.644 -20.440 1.00 55.53 H new ATOM 0 HB THR A 35 1.234 3.993 -18.022 1.00 5.40 H new ATOM 0 HG1 THR A 35 3.903 3.070 -18.543 1.00 72.25 H new ATOM 0 HG21 THR A 35 1.607 1.569 -18.366 1.00 24.21 H new ATOM 0 HG22 THR A 35 0.666 2.288 -19.695 1.00 24.21 H new ATOM 0 HG23 THR A 35 2.392 1.918 -19.924 1.00 24.21 H new ATOM 555 N ASP A 36 3.484 6.433 -18.923 1.00 34.33 N ATOM 556 CA ASP A 36 3.753 7.745 -18.314 1.00 54.12 C ATOM 557 C ASP A 36 5.079 8.357 -18.821 1.00 31.42 C ATOM 558 O ASP A 36 6.123 8.224 -18.180 1.00 51.24 O ATOM 559 CB ASP A 36 3.775 7.615 -16.783 1.00 65.34 C ATOM 560 CG ASP A 36 3.654 8.956 -16.079 1.00 44.45 C ATOM 561 OD1 ASP A 36 4.687 9.619 -15.854 1.00 71.24 O ATOM 562 OD2 ASP A 36 2.518 9.348 -15.734 1.00 33.11 O ATOM 0 H ASP A 36 4.305 5.836 -19.023 1.00 34.33 H new ATOM 0 HA ASP A 36 2.951 8.421 -18.610 1.00 54.12 H new ATOM 0 HB2 ASP A 36 2.958 6.968 -16.466 1.00 65.34 H new ATOM 0 HB3 ASP A 36 4.702 7.131 -16.477 1.00 65.34 H new ATOM 567 N PRO A 37 5.050 9.020 -19.999 1.00 60.34 N ATOM 568 CA PRO A 37 6.221 9.738 -20.548 1.00 31.01 C ATOM 569 C PRO A 37 6.730 10.859 -19.621 1.00 34.13 C ATOM 570 O PRO A 37 7.877 11.298 -19.728 1.00 11.04 O ATOM 571 CB PRO A 37 5.691 10.333 -21.867 1.00 2.23 C ATOM 572 CG PRO A 37 4.504 9.499 -22.215 1.00 52.21 C ATOM 573 CD PRO A 37 3.890 9.096 -20.903 1.00 54.44 C ATOM 0 HA PRO A 37 7.075 9.072 -20.672 1.00 31.01 H new ATOM 0 HB2 PRO A 37 5.416 11.381 -21.745 1.00 2.23 H new ATOM 0 HB3 PRO A 37 6.447 10.291 -22.651 1.00 2.23 H new ATOM 0 HG2 PRO A 37 3.795 10.061 -22.823 1.00 52.21 H new ATOM 0 HG3 PRO A 37 4.797 8.624 -22.795 1.00 52.21 H new ATOM 0 HD2 PRO A 37 3.158 9.827 -20.559 1.00 54.44 H new ATOM 0 HD3 PRO A 37 3.374 8.139 -20.977 1.00 54.44 H new ATOM 581 N ASP A 38 5.865 11.319 -18.715 1.00 10.34 N ATOM 582 CA ASP A 38 6.222 12.371 -17.755 1.00 2.40 C ATOM 583 C ASP A 38 7.331 11.913 -16.791 1.00 2.44 C ATOM 584 O ASP A 38 8.093 12.731 -16.267 1.00 32.35 O ATOM 585 CB ASP A 38 4.986 12.788 -16.955 1.00 23.21 C ATOM 586 CG ASP A 38 3.856 13.280 -17.838 1.00 33.14 C ATOM 587 OD1 ASP A 38 3.078 12.443 -18.348 1.00 4.31 O ATOM 588 OD2 ASP A 38 3.722 14.509 -18.012 1.00 43.42 O ATOM 0 H ASP A 38 4.908 10.979 -18.624 1.00 10.34 H new ATOM 0 HA ASP A 38 6.601 13.221 -18.323 1.00 2.40 H new ATOM 0 HB2 ASP A 38 4.638 11.941 -16.364 1.00 23.21 H new ATOM 0 HB3 ASP A 38 5.261 13.574 -16.252 1.00 23.21 H new ATOM 593 N TYR A 39 7.403 10.605 -16.544 1.00 54.41 N ATOM 594 CA TYR A 39 8.445 10.032 -15.690 1.00 41.14 C ATOM 595 C TYR A 39 9.793 9.993 -16.442 1.00 64.44 C ATOM 596 O TYR A 39 10.203 8.958 -16.973 1.00 31.25 O ATOM 597 CB TYR A 39 8.013 8.630 -15.215 1.00 54.11 C ATOM 598 CG TYR A 39 8.838 8.062 -14.069 1.00 5.43 C ATOM 599 CD1 TYR A 39 9.278 8.879 -13.030 1.00 33.31 C ATOM 600 CD2 TYR A 39 9.160 6.707 -14.014 1.00 45.21 C ATOM 601 CE1 TYR A 39 10.011 8.364 -11.978 1.00 23.35 C ATOM 602 CE2 TYR A 39 9.894 6.190 -12.963 1.00 60.12 C ATOM 603 CZ TYR A 39 10.320 7.023 -11.952 1.00 41.42 C ATOM 604 OH TYR A 39 11.053 6.509 -10.904 1.00 2.52 O ATOM 0 H TYR A 39 6.750 9.920 -16.924 1.00 54.41 H new ATOM 0 HA TYR A 39 8.582 10.659 -14.809 1.00 41.14 H new ATOM 0 HB2 TYR A 39 6.969 8.672 -14.906 1.00 54.11 H new ATOM 0 HB3 TYR A 39 8.068 7.943 -16.059 1.00 54.11 H new ATOM 0 HD1 TYR A 39 9.042 9.933 -13.047 1.00 33.31 H new ATOM 0 HD2 TYR A 39 8.831 6.050 -14.806 1.00 45.21 H new ATOM 0 HE1 TYR A 39 10.340 9.012 -11.179 1.00 23.35 H new ATOM 0 HE2 TYR A 39 10.133 5.137 -12.935 1.00 60.12 H new ATOM 0 HH TYR A 39 11.401 5.626 -11.150 1.00 2.52 H new ATOM 614 N VAL A 40 10.467 11.147 -16.481 1.00 1.20 N ATOM 615 CA VAL A 40 11.688 11.340 -17.285 1.00 32.42 C ATOM 616 C VAL A 40 12.798 10.331 -16.942 1.00 4.33 C ATOM 617 O VAL A 40 13.508 9.850 -17.834 1.00 52.04 O ATOM 618 CB VAL A 40 12.239 12.782 -17.118 1.00 0.52 C ATOM 619 CG1 VAL A 40 13.475 13.006 -17.990 1.00 61.41 C ATOM 620 CG2 VAL A 40 11.157 13.815 -17.436 1.00 74.54 C ATOM 0 H VAL A 40 10.185 11.976 -15.958 1.00 1.20 H new ATOM 0 HA VAL A 40 11.394 11.172 -18.321 1.00 32.42 H new ATOM 0 HB VAL A 40 12.538 12.907 -16.077 1.00 0.52 H new ATOM 0 HG11 VAL A 40 13.838 14.024 -17.852 1.00 61.41 H new ATOM 0 HG12 VAL A 40 14.255 12.301 -17.704 1.00 61.41 H new ATOM 0 HG13 VAL A 40 13.214 12.853 -19.037 1.00 61.41 H new ATOM 0 HG21 VAL A 40 11.564 14.818 -17.313 1.00 74.54 H new ATOM 0 HG22 VAL A 40 10.820 13.684 -18.464 1.00 74.54 H new ATOM 0 HG23 VAL A 40 10.314 13.680 -16.758 1.00 74.54 H new ATOM 630 N GLY A 41 12.941 10.007 -15.656 1.00 73.14 N ATOM 631 CA GLY A 41 13.964 9.055 -15.218 1.00 23.45 C ATOM 632 C GLY A 41 13.943 7.744 -16.001 1.00 12.22 C ATOM 633 O GLY A 41 14.966 7.061 -16.126 1.00 54.15 O ATOM 0 H GLY A 41 12.366 10.386 -14.904 1.00 73.14 H new ATOM 0 HA2 GLY A 41 14.947 9.516 -15.320 1.00 23.45 H new ATOM 0 HA3 GLY A 41 13.821 8.840 -14.159 1.00 23.45 H new ATOM 637 N THR A 42 12.773 7.401 -16.533 1.00 43.33 N ATOM 638 CA THR A 42 12.610 6.209 -17.366 1.00 50.53 C ATOM 639 C THR A 42 13.512 6.251 -18.603 1.00 22.13 C ATOM 640 O THR A 42 14.312 5.348 -18.822 1.00 51.44 O ATOM 641 CB THR A 42 11.150 6.051 -17.841 1.00 53.31 C ATOM 642 OG1 THR A 42 10.274 5.935 -16.713 1.00 34.35 O ATOM 643 CG2 THR A 42 10.995 4.831 -18.741 1.00 75.12 C ATOM 0 H THR A 42 11.915 7.937 -16.401 1.00 43.33 H new ATOM 0 HA THR A 42 12.891 5.362 -16.740 1.00 50.53 H new ATOM 0 HB THR A 42 10.885 6.938 -18.416 1.00 53.31 H new ATOM 0 HG1 THR A 42 10.364 6.729 -16.146 1.00 34.35 H new ATOM 0 HG21 THR A 42 9.957 4.744 -19.061 1.00 75.12 H new ATOM 0 HG22 THR A 42 11.636 4.940 -19.616 1.00 75.12 H new ATOM 0 HG23 THR A 42 11.281 3.934 -18.191 1.00 75.12 H new ATOM 651 N TYR A 43 13.380 7.309 -19.404 1.00 52.41 N ATOM 652 CA TYR A 43 14.115 7.424 -20.675 1.00 31.23 C ATOM 653 C TYR A 43 15.630 7.304 -20.481 1.00 51.40 C ATOM 654 O TYR A 43 16.313 6.649 -21.268 1.00 14.11 O ATOM 655 CB TYR A 43 13.789 8.752 -21.368 1.00 42.11 C ATOM 656 CG TYR A 43 12.354 8.856 -21.840 1.00 34.52 C ATOM 657 CD1 TYR A 43 11.992 8.426 -23.112 1.00 44.05 C ATOM 658 CD2 TYR A 43 11.362 9.386 -21.022 1.00 15.14 C ATOM 659 CE1 TYR A 43 10.689 8.521 -23.554 1.00 51.01 C ATOM 660 CE2 TYR A 43 10.056 9.485 -21.459 1.00 11.24 C ATOM 661 CZ TYR A 43 9.725 9.052 -22.725 1.00 1.41 C ATOM 662 OH TYR A 43 8.427 9.163 -23.171 1.00 14.31 O ATOM 0 H TYR A 43 12.772 8.102 -19.199 1.00 52.41 H new ATOM 0 HA TYR A 43 13.791 6.594 -21.303 1.00 31.23 H new ATOM 0 HB2 TYR A 43 13.996 9.571 -20.680 1.00 42.11 H new ATOM 0 HB3 TYR A 43 14.453 8.878 -22.223 1.00 42.11 H new ATOM 0 HD1 TYR A 43 12.745 8.010 -23.765 1.00 44.05 H new ATOM 0 HD2 TYR A 43 11.617 9.726 -20.029 1.00 15.14 H new ATOM 0 HE1 TYR A 43 10.426 8.181 -24.545 1.00 51.01 H new ATOM 0 HE2 TYR A 43 9.297 9.900 -20.812 1.00 11.24 H new ATOM 0 HH TYR A 43 7.861 8.521 -22.693 1.00 14.31 H new ATOM 672 N TYR A 44 16.149 7.938 -19.433 1.00 63.40 N ATOM 673 CA TYR A 44 17.586 7.904 -19.148 1.00 74.15 C ATOM 674 C TYR A 44 18.065 6.470 -18.865 1.00 31.22 C ATOM 675 O TYR A 44 18.977 5.969 -19.517 1.00 25.12 O ATOM 676 CB TYR A 44 17.919 8.819 -17.959 1.00 14.02 C ATOM 677 CG TYR A 44 19.410 8.974 -17.706 1.00 41.43 C ATOM 678 CD1 TYR A 44 20.142 9.973 -18.343 1.00 42.12 C ATOM 679 CD2 TYR A 44 20.086 8.121 -16.839 1.00 43.53 C ATOM 680 CE1 TYR A 44 21.499 10.115 -18.121 1.00 41.25 C ATOM 681 CE2 TYR A 44 21.441 8.258 -16.615 1.00 61.32 C ATOM 682 CZ TYR A 44 22.143 9.254 -17.257 1.00 20.02 C ATOM 683 OH TYR A 44 23.496 9.389 -17.034 1.00 53.30 O ATOM 0 H TYR A 44 15.600 8.481 -18.767 1.00 63.40 H new ATOM 0 HA TYR A 44 18.110 8.267 -20.032 1.00 74.15 H new ATOM 0 HB2 TYR A 44 17.485 9.803 -18.137 1.00 14.02 H new ATOM 0 HB3 TYR A 44 17.447 8.420 -17.061 1.00 14.02 H new ATOM 0 HD1 TYR A 44 19.641 10.648 -19.021 1.00 42.12 H new ATOM 0 HD2 TYR A 44 19.541 7.338 -16.333 1.00 43.53 H new ATOM 0 HE1 TYR A 44 22.052 10.896 -18.621 1.00 41.25 H new ATOM 0 HE2 TYR A 44 21.949 7.587 -15.939 1.00 61.32 H new ATOM 0 HH TYR A 44 23.793 8.704 -16.399 1.00 53.30 H new ATOM 693 N HIS A 45 17.436 5.809 -17.893 1.00 64.03 N ATOM 694 CA HIS A 45 17.823 4.443 -17.515 1.00 42.02 C ATOM 695 C HIS A 45 17.477 3.420 -18.613 1.00 45.10 C ATOM 696 O HIS A 45 18.162 2.409 -18.762 1.00 34.24 O ATOM 697 CB HIS A 45 17.173 4.054 -16.179 1.00 43.33 C ATOM 698 CG HIS A 45 17.807 4.732 -15.001 1.00 23.52 C ATOM 699 ND1 HIS A 45 18.481 4.048 -14.011 1.00 62.53 N ATOM 700 CD2 HIS A 45 17.884 6.042 -14.664 1.00 63.12 C ATOM 701 CE1 HIS A 45 18.945 4.903 -13.124 1.00 64.42 C ATOM 702 NE2 HIS A 45 18.598 6.116 -13.495 1.00 31.22 N ATOM 0 H HIS A 45 16.660 6.192 -17.353 1.00 64.03 H new ATOM 0 HA HIS A 45 18.906 4.428 -17.396 1.00 42.02 H new ATOM 0 HB2 HIS A 45 16.113 4.306 -16.210 1.00 43.33 H new ATOM 0 HB3 HIS A 45 17.240 2.974 -16.049 1.00 43.33 H new ATOM 0 HD2 HIS A 45 17.463 6.872 -15.212 1.00 63.12 H new ATOM 0 HE1 HIS A 45 19.514 4.651 -12.241 1.00 64.42 H new ATOM 0 HE2 HIS A 45 18.824 6.975 -12.993 1.00 31.22 H new ATOM 711 N LEU A 46 16.422 3.692 -19.379 1.00 71.41 N ATOM 712 CA LEU A 46 16.046 2.842 -20.515 1.00 2.03 C ATOM 713 C LEU A 46 17.131 2.886 -21.601 1.00 10.43 C ATOM 714 O LEU A 46 17.578 1.850 -22.100 1.00 53.15 O ATOM 715 CB LEU A 46 14.700 3.299 -21.099 1.00 14.10 C ATOM 716 CG LEU A 46 14.225 2.538 -22.349 1.00 54.43 C ATOM 717 CD1 LEU A 46 14.009 1.060 -22.043 1.00 13.02 C ATOM 718 CD2 LEU A 46 12.952 3.162 -22.909 1.00 24.34 C ATOM 0 H LEU A 46 15.809 4.495 -19.236 1.00 71.41 H new ATOM 0 HA LEU A 46 15.948 1.816 -20.160 1.00 2.03 H new ATOM 0 HB2 LEU A 46 13.938 3.203 -20.326 1.00 14.10 H new ATOM 0 HB3 LEU A 46 14.772 4.358 -21.346 1.00 14.10 H new ATOM 0 HG LEU A 46 15.007 2.615 -23.105 1.00 54.43 H new ATOM 0 HD11 LEU A 46 13.674 0.547 -22.944 1.00 13.02 H new ATOM 0 HD12 LEU A 46 14.945 0.619 -21.701 1.00 13.02 H new ATOM 0 HD13 LEU A 46 13.254 0.956 -21.264 1.00 13.02 H new ATOM 0 HD21 LEU A 46 12.634 2.608 -23.792 1.00 24.34 H new ATOM 0 HD22 LEU A 46 12.166 3.125 -22.155 1.00 24.34 H new ATOM 0 HD23 LEU A 46 13.145 4.200 -23.181 1.00 24.34 H new ATOM 730 N GLY A 47 17.557 4.099 -21.948 1.00 60.31 N ATOM 731 CA GLY A 47 18.618 4.275 -22.930 1.00 64.00 C ATOM 732 C GLY A 47 19.924 3.601 -22.518 1.00 14.21 C ATOM 733 O GLY A 47 20.496 2.824 -23.284 1.00 23.43 O ATOM 0 H GLY A 47 17.185 4.968 -21.565 1.00 60.31 H new ATOM 0 HA2 GLY A 47 18.291 3.869 -23.887 1.00 64.00 H new ATOM 0 HA3 GLY A 47 18.796 5.340 -23.079 1.00 64.00 H new ATOM 737 N LYS A 48 20.388 3.883 -21.297 1.00 12.25 N ATOM 738 CA LYS A 48 21.617 3.266 -20.779 1.00 11.43 C ATOM 739 C LYS A 48 21.510 1.729 -20.781 1.00 23.00 C ATOM 740 O LYS A 48 22.507 1.026 -20.977 1.00 24.12 O ATOM 741 CB LYS A 48 21.929 3.766 -19.354 1.00 2.25 C ATOM 742 CG LYS A 48 21.961 5.289 -19.205 1.00 33.03 C ATOM 743 CD LYS A 48 22.954 5.963 -20.154 1.00 41.24 C ATOM 744 CE LYS A 48 24.409 5.591 -19.855 1.00 52.14 C ATOM 745 NZ LYS A 48 25.046 4.857 -20.982 1.00 62.51 N ATOM 0 H LYS A 48 19.936 4.530 -20.651 1.00 12.25 H new ATOM 0 HA LYS A 48 22.432 3.560 -21.440 1.00 11.43 H new ATOM 0 HB2 LYS A 48 21.182 3.363 -18.670 1.00 2.25 H new ATOM 0 HB3 LYS A 48 22.894 3.364 -19.045 1.00 2.25 H new ATOM 0 HG2 LYS A 48 20.963 5.687 -19.389 1.00 33.03 H new ATOM 0 HG3 LYS A 48 22.220 5.542 -18.177 1.00 33.03 H new ATOM 0 HD2 LYS A 48 22.716 5.683 -21.180 1.00 41.24 H new ATOM 0 HD3 LYS A 48 22.839 7.045 -20.084 1.00 41.24 H new ATOM 0 HE2 LYS A 48 24.978 6.497 -19.646 1.00 52.14 H new ATOM 0 HE3 LYS A 48 24.447 4.976 -18.956 1.00 52.14 H new ATOM 0 HZ1 LYS A 48 26.044 4.671 -20.755 1.00 62.51 H new ATOM 0 HZ2 LYS A 48 24.551 3.955 -21.133 1.00 62.51 H new ATOM 0 HZ3 LYS A 48 24.989 5.432 -21.847 1.00 62.51 H new ATOM 759 N LEU A 49 20.297 1.212 -20.571 1.00 0.20 N ATOM 760 CA LEU A 49 20.060 -0.236 -20.603 1.00 61.42 C ATOM 761 C LEU A 49 20.111 -0.769 -22.047 1.00 51.31 C ATOM 762 O LEU A 49 20.574 -1.885 -22.291 1.00 41.41 O ATOM 763 CB LEU A 49 18.719 -0.582 -19.940 1.00 62.10 C ATOM 764 CG LEU A 49 18.441 -2.087 -19.768 1.00 42.32 C ATOM 765 CD1 LEU A 49 19.569 -2.765 -18.991 1.00 72.24 C ATOM 766 CD2 LEU A 49 17.102 -2.308 -19.069 1.00 2.42 C ATOM 0 H LEU A 49 19.466 1.771 -20.378 1.00 0.20 H new ATOM 0 HA LEU A 49 20.854 -0.722 -20.037 1.00 61.42 H new ATOM 0 HB2 LEU A 49 18.684 -0.108 -18.959 1.00 62.10 H new ATOM 0 HB3 LEU A 49 17.915 -0.146 -20.533 1.00 62.10 H new ATOM 0 HG LEU A 49 18.393 -2.538 -20.759 1.00 42.32 H new ATOM 0 HD11 LEU A 49 19.349 -3.827 -18.883 1.00 72.24 H new ATOM 0 HD12 LEU A 49 20.508 -2.642 -19.531 1.00 72.24 H new ATOM 0 HD13 LEU A 49 19.656 -2.310 -18.004 1.00 72.24 H new ATOM 0 HD21 LEU A 49 16.923 -3.377 -18.956 1.00 2.42 H new ATOM 0 HD22 LEU A 49 17.123 -1.838 -18.086 1.00 2.42 H new ATOM 0 HD23 LEU A 49 16.303 -1.867 -19.665 1.00 2.42 H new ATOM 778 N TYR A 50 19.646 0.032 -23.007 1.00 31.20 N ATOM 779 CA TYR A 50 19.811 -0.309 -24.425 1.00 32.32 C ATOM 780 C TYR A 50 21.298 -0.349 -24.798 1.00 3.31 C ATOM 781 O TYR A 50 21.764 -1.314 -25.406 1.00 60.34 O ATOM 782 CB TYR A 50 19.059 0.674 -25.338 1.00 72.32 C ATOM 783 CG TYR A 50 17.568 0.399 -25.438 1.00 32.44 C ATOM 784 CD1 TYR A 50 17.101 -0.875 -25.748 1.00 64.02 C ATOM 785 CD2 TYR A 50 16.630 1.407 -25.239 1.00 51.10 C ATOM 786 CE1 TYR A 50 15.748 -1.136 -25.849 1.00 3.43 C ATOM 787 CE2 TYR A 50 15.274 1.149 -25.339 1.00 14.23 C ATOM 788 CZ TYR A 50 14.839 -0.124 -25.644 1.00 73.23 C ATOM 789 OH TYR A 50 13.491 -0.387 -25.739 1.00 3.44 O ATOM 0 H TYR A 50 19.158 0.911 -22.835 1.00 31.20 H new ATOM 0 HA TYR A 50 19.380 -1.299 -24.576 1.00 32.32 H new ATOM 0 HB2 TYR A 50 19.208 1.688 -24.966 1.00 72.32 H new ATOM 0 HB3 TYR A 50 19.494 0.634 -26.336 1.00 72.32 H new ATOM 0 HD1 TYR A 50 17.809 -1.674 -25.913 1.00 64.02 H new ATOM 0 HD2 TYR A 50 16.965 2.406 -25.003 1.00 51.10 H new ATOM 0 HE1 TYR A 50 15.405 -2.132 -26.088 1.00 3.43 H new ATOM 0 HE2 TYR A 50 14.559 1.942 -25.179 1.00 14.23 H new ATOM 0 HH TYR A 50 12.985 0.434 -25.565 1.00 3.44 H new ATOM 799 N GLU A 51 22.039 0.695 -24.422 1.00 53.14 N ATOM 800 CA GLU A 51 23.498 0.718 -24.596 1.00 34.40 C ATOM 801 C GLU A 51 24.140 -0.533 -23.974 1.00 3.35 C ATOM 802 O GLU A 51 25.065 -1.121 -24.536 1.00 4.52 O ATOM 803 CB GLU A 51 24.094 1.974 -23.946 1.00 24.23 C ATOM 804 CG GLU A 51 23.642 3.286 -24.581 1.00 33.14 C ATOM 805 CD GLU A 51 24.168 4.499 -23.826 1.00 65.52 C ATOM 806 OE1 GLU A 51 25.402 4.676 -23.757 1.00 13.43 O ATOM 807 OE2 GLU A 51 23.358 5.256 -23.253 1.00 55.05 O ATOM 0 H GLU A 51 21.655 1.538 -23.994 1.00 53.14 H new ATOM 0 HA GLU A 51 23.709 0.730 -25.665 1.00 34.40 H new ATOM 0 HB2 GLU A 51 23.826 1.984 -22.890 1.00 24.23 H new ATOM 0 HB3 GLU A 51 25.181 1.915 -23.998 1.00 24.23 H new ATOM 0 HG2 GLU A 51 23.986 3.326 -25.614 1.00 33.14 H new ATOM 0 HG3 GLU A 51 22.553 3.320 -24.606 1.00 33.14 H new ATOM 814 N ARG A 52 23.624 -0.936 -22.812 1.00 61.52 N ATOM 815 CA ARG A 52 24.082 -2.150 -22.123 1.00 35.41 C ATOM 816 C ARG A 52 23.954 -3.388 -23.031 1.00 14.12 C ATOM 817 O ARG A 52 24.820 -4.261 -23.043 1.00 25.24 O ATOM 818 CB ARG A 52 23.258 -2.363 -20.844 1.00 73.15 C ATOM 819 CG ARG A 52 23.730 -3.520 -19.961 1.00 25.02 C ATOM 820 CD ARG A 52 24.952 -3.149 -19.122 1.00 0.14 C ATOM 821 NE ARG A 52 26.131 -2.845 -19.935 1.00 25.21 N ATOM 822 CZ ARG A 52 26.975 -1.881 -19.673 1.00 42.14 C ATOM 823 NH1 ARG A 52 26.791 -1.097 -18.658 1.00 41.05 N ATOM 824 NH2 ARG A 52 28.001 -1.701 -20.437 1.00 41.12 N ATOM 0 H ARG A 52 22.882 -0.436 -22.322 1.00 61.52 H new ATOM 0 HA ARG A 52 25.134 -2.019 -21.868 1.00 35.41 H new ATOM 0 HB2 ARG A 52 23.280 -1.445 -20.257 1.00 73.15 H new ATOM 0 HB3 ARG A 52 22.219 -2.538 -21.123 1.00 73.15 H new ATOM 0 HG2 ARG A 52 22.918 -3.825 -19.301 1.00 25.02 H new ATOM 0 HG3 ARG A 52 23.970 -4.378 -20.588 1.00 25.02 H new ATOM 0 HD2 ARG A 52 24.712 -2.285 -18.502 1.00 0.14 H new ATOM 0 HD3 ARG A 52 25.185 -3.972 -18.446 1.00 0.14 H new ATOM 0 HE ARG A 52 26.305 -3.422 -20.758 1.00 25.21 H new ATOM 0 HH11 ARG A 52 25.981 -1.228 -18.053 1.00 41.05 H new ATOM 0 HH12 ARG A 52 27.457 -0.349 -18.464 1.00 41.05 H new ATOM 0 HH21 ARG A 52 28.151 -2.310 -21.242 1.00 41.12 H new ATOM 0 HH22 ARG A 52 28.661 -0.950 -20.236 1.00 41.12 H new ATOM 838 N LEU A 53 22.861 -3.449 -23.791 1.00 10.12 N ATOM 839 CA LEU A 53 22.608 -4.563 -24.719 1.00 23.11 C ATOM 840 C LEU A 53 23.099 -4.239 -26.144 1.00 51.15 C ATOM 841 O LEU A 53 22.644 -4.839 -27.117 1.00 14.54 O ATOM 842 CB LEU A 53 21.106 -4.886 -24.742 1.00 75.30 C ATOM 843 CG LEU A 53 20.490 -5.251 -23.381 1.00 35.41 C ATOM 844 CD1 LEU A 53 18.999 -5.542 -23.527 1.00 71.41 C ATOM 845 CD2 LEU A 53 21.218 -6.443 -22.758 1.00 63.34 C ATOM 0 H LEU A 53 22.130 -2.738 -23.785 1.00 10.12 H new ATOM 0 HA LEU A 53 23.166 -5.430 -24.365 1.00 23.11 H new ATOM 0 HB2 LEU A 53 20.572 -4.025 -25.144 1.00 75.30 H new ATOM 0 HB3 LEU A 53 20.940 -5.714 -25.431 1.00 75.30 H new ATOM 0 HG LEU A 53 20.607 -4.397 -22.713 1.00 35.41 H new ATOM 0 HD11 LEU A 53 18.581 -5.798 -22.553 1.00 71.41 H new ATOM 0 HD12 LEU A 53 18.493 -4.660 -23.918 1.00 71.41 H new ATOM 0 HD13 LEU A 53 18.857 -6.376 -24.214 1.00 71.41 H new ATOM 0 HD21 LEU A 53 20.765 -6.683 -21.796 1.00 63.34 H new ATOM 0 HD22 LEU A 53 21.140 -7.304 -23.421 1.00 63.34 H new ATOM 0 HD23 LEU A 53 22.269 -6.192 -22.612 1.00 63.34 H new ATOM 857 N ASP A 54 24.024 -3.279 -26.250 1.00 43.41 N ATOM 858 CA ASP A 54 24.610 -2.863 -27.536 1.00 33.00 C ATOM 859 C ASP A 54 23.550 -2.260 -28.487 1.00 43.12 C ATOM 860 O ASP A 54 23.805 -2.035 -29.671 1.00 12.43 O ATOM 861 CB ASP A 54 25.342 -4.043 -28.197 1.00 42.14 C ATOM 862 CG ASP A 54 26.271 -3.604 -29.317 1.00 14.24 C ATOM 863 OD1 ASP A 54 27.213 -2.833 -29.036 1.00 10.35 O ATOM 864 OD2 ASP A 54 26.067 -4.021 -30.479 1.00 51.24 O ATOM 0 H ASP A 54 24.390 -2.766 -25.448 1.00 43.41 H new ATOM 0 HA ASP A 54 25.335 -2.075 -27.331 1.00 33.00 H new ATOM 0 HB2 ASP A 54 25.918 -4.577 -27.441 1.00 42.14 H new ATOM 0 HB3 ASP A 54 24.608 -4.745 -28.593 1.00 42.14 H new ATOM 869 N ARG A 55 22.366 -1.972 -27.955 1.00 45.31 N ATOM 870 CA ARG A 55 21.300 -1.317 -28.721 1.00 70.15 C ATOM 871 C ARG A 55 21.465 0.209 -28.658 1.00 21.21 C ATOM 872 O ARG A 55 20.499 0.949 -28.459 1.00 53.44 O ATOM 873 CB ARG A 55 19.927 -1.726 -28.160 1.00 63.14 C ATOM 874 CG ARG A 55 19.687 -3.233 -28.140 1.00 35.33 C ATOM 875 CD ARG A 55 19.769 -3.842 -29.533 1.00 31.05 C ATOM 876 NE ARG A 55 18.819 -3.230 -30.458 1.00 63.31 N ATOM 877 CZ ARG A 55 18.251 -3.858 -31.449 1.00 33.13 C ATOM 878 NH1 ARG A 55 18.526 -5.102 -31.694 1.00 64.55 N ATOM 879 NH2 ARG A 55 17.406 -3.234 -32.202 1.00 72.14 N ATOM 0 H ARG A 55 22.115 -2.182 -26.989 1.00 45.31 H new ATOM 0 HA ARG A 55 21.365 -1.632 -29.762 1.00 70.15 H new ATOM 0 HB2 ARG A 55 19.831 -1.340 -27.145 1.00 63.14 H new ATOM 0 HB3 ARG A 55 19.147 -1.252 -28.756 1.00 63.14 H new ATOM 0 HG2 ARG A 55 20.423 -3.709 -27.492 1.00 35.33 H new ATOM 0 HG3 ARG A 55 18.706 -3.438 -27.712 1.00 35.33 H new ATOM 0 HD2 ARG A 55 20.780 -3.722 -29.921 1.00 31.05 H new ATOM 0 HD3 ARG A 55 19.576 -4.913 -29.472 1.00 31.05 H new ATOM 0 HE ARG A 55 18.585 -2.247 -30.320 1.00 63.31 H new ATOM 0 HH11 ARG A 55 19.195 -5.602 -31.108 1.00 64.55 H new ATOM 0 HH12 ARG A 55 18.074 -5.580 -32.473 1.00 64.55 H new ATOM 0 HH21 ARG A 55 17.186 -2.255 -32.019 1.00 72.14 H new ATOM 0 HH22 ARG A 55 16.959 -3.721 -32.979 1.00 72.14 H new ATOM 893 N THR A 56 22.702 0.663 -28.850 1.00 32.30 N ATOM 894 CA THR A 56 23.065 2.079 -28.706 1.00 53.34 C ATOM 895 C THR A 56 22.150 3.000 -29.526 1.00 53.03 C ATOM 896 O THR A 56 21.678 4.022 -29.031 1.00 23.10 O ATOM 897 CB THR A 56 24.532 2.313 -29.141 1.00 32.14 C ATOM 898 OG1 THR A 56 25.381 1.306 -28.569 1.00 54.02 O ATOM 899 CG2 THR A 56 25.025 3.692 -28.711 1.00 74.44 C ATOM 0 H THR A 56 23.484 0.062 -29.110 1.00 32.30 H new ATOM 0 HA THR A 56 22.944 2.325 -27.651 1.00 53.34 H new ATOM 0 HB THR A 56 24.570 2.255 -30.229 1.00 32.14 H new ATOM 0 HG1 THR A 56 26.049 1.028 -29.230 1.00 54.02 H new ATOM 0 HG21 THR A 56 26.058 3.825 -29.031 1.00 74.44 H new ATOM 0 HG22 THR A 56 24.401 4.460 -29.168 1.00 74.44 H new ATOM 0 HG23 THR A 56 24.968 3.777 -27.626 1.00 74.44 H new ATOM 907 N ASP A 57 21.896 2.631 -30.777 1.00 43.14 N ATOM 908 CA ASP A 57 21.031 3.422 -31.658 1.00 15.42 C ATOM 909 C ASP A 57 19.586 3.485 -31.133 1.00 31.42 C ATOM 910 O ASP A 57 18.952 4.542 -31.170 1.00 60.02 O ATOM 911 CB ASP A 57 21.070 2.842 -33.069 1.00 1.02 C ATOM 912 CG ASP A 57 22.478 2.845 -33.629 1.00 51.34 C ATOM 913 OD1 ASP A 57 23.271 1.955 -33.255 1.00 74.54 O ATOM 914 OD2 ASP A 57 22.808 3.751 -34.426 1.00 14.04 O ATOM 0 H ASP A 57 22.276 1.788 -31.208 1.00 43.14 H new ATOM 0 HA ASP A 57 21.408 4.445 -31.678 1.00 15.42 H new ATOM 0 HB2 ASP A 57 20.684 1.823 -33.056 1.00 1.02 H new ATOM 0 HB3 ASP A 57 20.416 3.422 -33.721 1.00 1.02 H new ATOM 919 N ASP A 58 19.072 2.356 -30.638 1.00 22.40 N ATOM 920 CA ASP A 58 17.739 2.322 -30.020 1.00 25.11 C ATOM 921 C ASP A 58 17.688 3.263 -28.804 1.00 42.12 C ATOM 922 O ASP A 58 16.685 3.938 -28.560 1.00 75.53 O ATOM 923 CB ASP A 58 17.382 0.892 -29.595 1.00 32.13 C ATOM 924 CG ASP A 58 17.427 -0.081 -30.760 1.00 63.34 C ATOM 925 OD1 ASP A 58 18.539 -0.480 -31.159 1.00 42.14 O ATOM 926 OD2 ASP A 58 16.353 -0.458 -31.279 1.00 51.35 O ATOM 0 H ASP A 58 19.553 1.457 -30.652 1.00 22.40 H new ATOM 0 HA ASP A 58 17.010 2.660 -30.756 1.00 25.11 H new ATOM 0 HB2 ASP A 58 18.074 0.561 -28.821 1.00 32.13 H new ATOM 0 HB3 ASP A 58 16.385 0.884 -29.155 1.00 32.13 H new ATOM 931 N ALA A 59 18.786 3.304 -28.048 1.00 52.25 N ATOM 932 CA ALA A 59 18.929 4.241 -26.929 1.00 5.14 C ATOM 933 C ALA A 59 18.855 5.694 -27.418 1.00 35.53 C ATOM 934 O ALA A 59 18.072 6.495 -26.910 1.00 12.23 O ATOM 935 CB ALA A 59 20.249 3.997 -26.205 1.00 22.34 C ATOM 0 H ALA A 59 19.593 2.697 -28.190 1.00 52.25 H new ATOM 0 HA ALA A 59 18.106 4.072 -26.235 1.00 5.14 H new ATOM 0 HB1 ALA A 59 20.344 4.698 -25.376 1.00 22.34 H new ATOM 0 HB2 ALA A 59 20.270 2.977 -25.821 1.00 22.34 H new ATOM 0 HB3 ALA A 59 21.077 4.141 -26.899 1.00 22.34 H new ATOM 941 N ILE A 60 19.672 6.012 -28.423 1.00 70.34 N ATOM 942 CA ILE A 60 19.709 7.351 -29.026 1.00 74.02 C ATOM 943 C ILE A 60 18.312 7.819 -29.461 1.00 31.14 C ATOM 944 O ILE A 60 17.891 8.936 -29.146 1.00 20.02 O ATOM 945 CB ILE A 60 20.667 7.367 -30.247 1.00 13.41 C ATOM 946 CG1 ILE A 60 22.094 7.008 -29.802 1.00 2.31 C ATOM 947 CG2 ILE A 60 20.643 8.726 -30.953 1.00 51.51 C ATOM 948 CD1 ILE A 60 23.061 6.800 -30.946 1.00 75.11 C ATOM 0 H ILE A 60 20.327 5.352 -28.843 1.00 70.34 H new ATOM 0 HA ILE A 60 20.075 8.040 -28.265 1.00 74.02 H new ATOM 0 HB ILE A 60 20.324 6.619 -30.962 1.00 13.41 H new ATOM 0 HG12 ILE A 60 22.474 7.802 -29.159 1.00 2.31 H new ATOM 0 HG13 ILE A 60 22.058 6.100 -29.200 1.00 2.31 H new ATOM 0 HG21 ILE A 60 21.324 8.706 -31.804 1.00 51.51 H new ATOM 0 HG22 ILE A 60 19.632 8.937 -31.302 1.00 51.51 H new ATOM 0 HG23 ILE A 60 20.956 9.504 -30.256 1.00 51.51 H new ATOM 0 HD11 ILE A 60 24.045 6.550 -30.550 1.00 75.11 H new ATOM 0 HD12 ILE A 60 22.707 5.986 -31.578 1.00 75.11 H new ATOM 0 HD13 ILE A 60 23.129 7.714 -31.536 1.00 75.11 H new ATOM 960 N ASP A 61 17.598 6.955 -30.176 1.00 40.53 N ATOM 961 CA ASP A 61 16.238 7.258 -30.627 1.00 71.32 C ATOM 962 C ASP A 61 15.300 7.499 -29.427 1.00 73.34 C ATOM 963 O ASP A 61 14.447 8.391 -29.453 1.00 1.22 O ATOM 964 CB ASP A 61 15.717 6.111 -31.498 1.00 53.41 C ATOM 965 CG ASP A 61 14.457 6.490 -32.253 1.00 54.42 C ATOM 966 OD1 ASP A 61 14.572 7.155 -33.307 1.00 32.34 O ATOM 967 OD2 ASP A 61 13.348 6.148 -31.790 1.00 44.44 O ATOM 0 H ASP A 61 17.938 6.035 -30.458 1.00 40.53 H new ATOM 0 HA ASP A 61 16.261 8.173 -31.219 1.00 71.32 H new ATOM 0 HB2 ASP A 61 16.490 5.817 -32.209 1.00 53.41 H new ATOM 0 HB3 ASP A 61 15.515 5.243 -30.870 1.00 53.41 H new ATOM 972 N THR A 62 15.475 6.703 -28.372 1.00 20.30 N ATOM 973 CA THR A 62 14.723 6.883 -27.120 1.00 44.42 C ATOM 974 C THR A 62 15.001 8.261 -26.494 1.00 64.23 C ATOM 975 O THR A 62 14.076 8.964 -26.075 1.00 4.42 O ATOM 976 CB THR A 62 15.066 5.776 -26.088 1.00 31.42 C ATOM 977 OG1 THR A 62 14.678 4.492 -26.599 1.00 64.31 O ATOM 978 CG2 THR A 62 14.377 6.019 -24.745 1.00 61.25 C ATOM 0 H THR A 62 16.132 5.923 -28.355 1.00 20.30 H new ATOM 0 HA THR A 62 13.666 6.814 -27.376 1.00 44.42 H new ATOM 0 HB THR A 62 16.143 5.801 -25.925 1.00 31.42 H new ATOM 0 HG1 THR A 62 15.313 4.210 -27.290 1.00 64.31 H new ATOM 0 HG21 THR A 62 14.643 5.222 -24.050 1.00 61.25 H new ATOM 0 HG22 THR A 62 14.700 6.977 -24.339 1.00 61.25 H new ATOM 0 HG23 THR A 62 13.296 6.031 -24.887 1.00 61.25 H new ATOM 986 N TYR A 63 16.279 8.645 -26.440 1.00 55.24 N ATOM 987 CA TYR A 63 16.670 9.962 -25.920 1.00 71.44 C ATOM 988 C TYR A 63 16.054 11.095 -26.753 1.00 42.41 C ATOM 989 O TYR A 63 15.647 12.116 -26.212 1.00 2.12 O ATOM 990 CB TYR A 63 18.200 10.116 -25.899 1.00 73.22 C ATOM 991 CG TYR A 63 18.915 9.149 -24.971 1.00 42.51 C ATOM 992 CD1 TYR A 63 18.596 9.085 -23.620 1.00 53.31 C ATOM 993 CD2 TYR A 63 19.908 8.300 -25.449 1.00 31.33 C ATOM 994 CE1 TYR A 63 19.245 8.205 -22.774 1.00 62.14 C ATOM 995 CE2 TYR A 63 20.559 7.417 -24.611 1.00 45.25 C ATOM 996 CZ TYR A 63 20.224 7.374 -23.275 1.00 62.11 C ATOM 997 OH TYR A 63 20.872 6.499 -22.437 1.00 31.22 O ATOM 0 H TYR A 63 17.060 8.066 -26.749 1.00 55.24 H new ATOM 0 HA TYR A 63 16.292 10.030 -24.900 1.00 71.44 H new ATOM 0 HB2 TYR A 63 18.581 9.978 -26.911 1.00 73.22 H new ATOM 0 HB3 TYR A 63 18.446 11.135 -25.602 1.00 73.22 H new ATOM 0 HD1 TYR A 63 17.828 9.733 -23.224 1.00 53.31 H new ATOM 0 HD2 TYR A 63 20.175 8.332 -26.495 1.00 31.33 H new ATOM 0 HE1 TYR A 63 18.986 8.169 -21.726 1.00 62.14 H new ATOM 0 HE2 TYR A 63 21.326 6.764 -25.000 1.00 45.25 H new ATOM 0 HH TYR A 63 21.627 6.091 -22.910 1.00 31.22 H new ATOM 1007 N ALA A 64 15.989 10.900 -28.071 1.00 64.15 N ATOM 1008 CA ALA A 64 15.428 11.904 -28.987 1.00 1.35 C ATOM 1009 C ALA A 64 14.012 12.342 -28.572 1.00 13.31 C ATOM 1010 O ALA A 64 13.710 13.538 -28.516 1.00 54.14 O ATOM 1011 CB ALA A 64 15.421 11.365 -30.413 1.00 32.41 C ATOM 0 H ALA A 64 16.319 10.053 -28.533 1.00 64.15 H new ATOM 0 HA ALA A 64 16.066 12.787 -28.937 1.00 1.35 H new ATOM 0 HB1 ALA A 64 15.004 12.116 -31.084 1.00 32.41 H new ATOM 0 HB2 ALA A 64 16.441 11.132 -30.719 1.00 32.41 H new ATOM 0 HB3 ALA A 64 14.813 10.461 -30.457 1.00 32.41 H new ATOM 1017 N GLN A 65 13.145 11.372 -28.285 1.00 4.30 N ATOM 1018 CA GLN A 65 11.787 11.669 -27.810 1.00 43.12 C ATOM 1019 C GLN A 65 11.826 12.113 -26.334 1.00 53.12 C ATOM 1020 O GLN A 65 11.075 12.999 -25.911 1.00 60.34 O ATOM 1021 CB GLN A 65 10.876 10.439 -28.002 1.00 42.24 C ATOM 1022 CG GLN A 65 9.374 10.749 -27.999 1.00 31.14 C ATOM 1023 CD GLN A 65 8.779 10.982 -26.615 1.00 14.43 C ATOM 1024 OE1 GLN A 65 7.846 11.761 -26.452 1.00 62.30 O ATOM 1025 NE2 GLN A 65 9.281 10.286 -25.616 1.00 4.41 N ATOM 0 H GLN A 65 13.354 10.377 -28.371 1.00 4.30 H new ATOM 0 HA GLN A 65 11.373 12.489 -28.397 1.00 43.12 H new ATOM 0 HB2 GLN A 65 11.132 9.958 -28.946 1.00 42.24 H new ATOM 0 HB3 GLN A 65 11.087 9.720 -27.210 1.00 42.24 H new ATOM 0 HG2 GLN A 65 9.197 11.634 -28.610 1.00 31.14 H new ATOM 0 HG3 GLN A 65 8.845 9.923 -28.474 1.00 31.14 H new ATOM 0 HE21 GLN A 65 10.057 9.645 -25.780 1.00 4.41 H new ATOM 0 HE22 GLN A 65 8.893 10.388 -24.678 1.00 4.41 H new ATOM 1034 N GLY A 66 12.723 11.498 -25.556 1.00 12.51 N ATOM 1035 CA GLY A 66 12.929 11.906 -24.171 1.00 13.05 C ATOM 1036 C GLY A 66 13.301 13.381 -24.041 1.00 52.34 C ATOM 1037 O GLY A 66 12.953 14.033 -23.059 1.00 31.53 O ATOM 0 H GLY A 66 13.311 10.723 -25.862 1.00 12.51 H new ATOM 0 HA2 GLY A 66 12.020 11.713 -23.601 1.00 13.05 H new ATOM 0 HA3 GLY A 66 13.718 11.296 -23.730 1.00 13.05 H new ATOM 1041 N ILE A 67 14.014 13.900 -25.038 1.00 51.24 N ATOM 1042 CA ILE A 67 14.354 15.325 -25.108 1.00 72.31 C ATOM 1043 C ILE A 67 13.093 16.201 -25.034 1.00 10.12 C ATOM 1044 O ILE A 67 13.065 17.210 -24.326 1.00 10.42 O ATOM 1045 CB ILE A 67 15.144 15.635 -26.413 1.00 61.11 C ATOM 1046 CG1 ILE A 67 16.569 15.060 -26.313 1.00 22.44 C ATOM 1047 CG2 ILE A 67 15.179 17.134 -26.716 1.00 54.22 C ATOM 1048 CD1 ILE A 67 17.400 15.242 -27.565 1.00 70.35 C ATOM 0 H ILE A 67 14.373 13.350 -25.819 1.00 51.24 H new ATOM 0 HA ILE A 67 14.984 15.559 -24.250 1.00 72.31 H new ATOM 0 HB ILE A 67 14.625 15.155 -27.243 1.00 61.11 H new ATOM 0 HG12 ILE A 67 17.083 15.535 -25.477 1.00 22.44 H new ATOM 0 HG13 ILE A 67 16.504 13.996 -26.085 1.00 22.44 H new ATOM 0 HG21 ILE A 67 15.740 17.307 -27.635 1.00 54.22 H new ATOM 0 HG22 ILE A 67 14.161 17.505 -26.837 1.00 54.22 H new ATOM 0 HG23 ILE A 67 15.661 17.661 -25.892 1.00 54.22 H new ATOM 0 HD11 ILE A 67 18.389 14.810 -27.411 1.00 70.35 H new ATOM 0 HD12 ILE A 67 16.912 14.742 -28.402 1.00 70.35 H new ATOM 0 HD13 ILE A 67 17.499 16.305 -27.785 1.00 70.35 H new ATOM 1060 N GLU A 68 12.044 15.789 -25.744 1.00 11.35 N ATOM 1061 CA GLU A 68 10.780 16.532 -25.757 1.00 22.22 C ATOM 1062 C GLU A 68 10.144 16.574 -24.357 1.00 33.14 C ATOM 1063 O GLU A 68 9.847 17.650 -23.830 1.00 33.35 O ATOM 1064 CB GLU A 68 9.797 15.911 -26.762 1.00 23.52 C ATOM 1065 CG GLU A 68 10.363 15.769 -28.174 1.00 5.04 C ATOM 1066 CD GLU A 68 9.298 15.430 -29.205 1.00 45.32 C ATOM 1067 OE1 GLU A 68 8.885 14.255 -29.291 1.00 41.41 O ATOM 1068 OE2 GLU A 68 8.862 16.349 -29.933 1.00 42.31 O ATOM 0 H GLU A 68 12.042 14.946 -26.318 1.00 11.35 H new ATOM 0 HA GLU A 68 11.001 17.554 -26.064 1.00 22.22 H new ATOM 0 HB2 GLU A 68 9.496 14.927 -26.401 1.00 23.52 H new ATOM 0 HB3 GLU A 68 8.897 16.525 -26.802 1.00 23.52 H new ATOM 0 HG2 GLU A 68 10.854 16.699 -28.459 1.00 5.04 H new ATOM 0 HG3 GLU A 68 11.126 14.991 -28.178 1.00 5.04 H new ATOM 1075 N VAL A 69 9.952 15.403 -23.751 1.00 65.14 N ATOM 1076 CA VAL A 69 9.354 15.325 -22.410 1.00 71.14 C ATOM 1077 C VAL A 69 10.265 15.955 -21.338 1.00 13.02 C ATOM 1078 O VAL A 69 9.788 16.477 -20.333 1.00 42.10 O ATOM 1079 CB VAL A 69 9.014 13.863 -22.012 1.00 31.32 C ATOM 1080 CG1 VAL A 69 8.055 13.237 -23.022 1.00 65.52 C ATOM 1081 CG2 VAL A 69 10.277 13.018 -21.867 1.00 3.22 C ATOM 0 H VAL A 69 10.198 14.501 -24.159 1.00 65.14 H new ATOM 0 HA VAL A 69 8.427 15.896 -22.457 1.00 71.14 H new ATOM 0 HB VAL A 69 8.520 13.889 -21.041 1.00 31.32 H new ATOM 0 HG11 VAL A 69 7.830 12.213 -22.724 1.00 65.52 H new ATOM 0 HG12 VAL A 69 7.132 13.816 -23.055 1.00 65.52 H new ATOM 0 HG13 VAL A 69 8.517 13.234 -24.009 1.00 65.52 H new ATOM 0 HG21 VAL A 69 10.004 12.000 -21.588 1.00 3.22 H new ATOM 0 HG22 VAL A 69 10.815 13.002 -22.815 1.00 3.22 H new ATOM 0 HG23 VAL A 69 10.915 13.447 -21.095 1.00 3.22 H new ATOM 1091 N ALA A 70 11.577 15.916 -21.561 1.00 31.03 N ATOM 1092 CA ALA A 70 12.538 16.502 -20.616 1.00 34.21 C ATOM 1093 C ALA A 70 12.425 18.034 -20.574 1.00 3.01 C ATOM 1094 O ALA A 70 12.266 18.625 -19.509 1.00 4.41 O ATOM 1095 CB ALA A 70 13.961 16.088 -20.981 1.00 11.52 C ATOM 0 H ALA A 70 12.002 15.488 -22.383 1.00 31.03 H new ATOM 0 HA ALA A 70 12.300 16.122 -19.623 1.00 34.21 H new ATOM 0 HB1 ALA A 70 14.662 16.530 -20.272 1.00 11.52 H new ATOM 0 HB2 ALA A 70 14.045 15.002 -20.945 1.00 11.52 H new ATOM 0 HB3 ALA A 70 14.195 16.437 -21.987 1.00 11.52 H new ATOM 1101 N ARG A 71 12.488 18.666 -21.744 1.00 25.13 N ATOM 1102 CA ARG A 71 12.432 20.131 -21.842 1.00 23.02 C ATOM 1103 C ARG A 71 11.048 20.691 -21.459 1.00 65.53 C ATOM 1104 O ARG A 71 10.949 21.763 -20.856 1.00 25.11 O ATOM 1105 CB ARG A 71 12.809 20.578 -23.265 1.00 62.12 C ATOM 1106 CG ARG A 71 11.881 20.030 -24.346 1.00 3.00 C ATOM 1107 CD ARG A 71 12.368 20.359 -25.753 1.00 2.33 C ATOM 1108 NE ARG A 71 12.389 21.796 -26.014 1.00 12.00 N ATOM 1109 CZ ARG A 71 12.496 22.319 -27.205 1.00 4.11 C ATOM 1110 NH1 ARG A 71 12.594 21.559 -28.252 1.00 21.25 N ATOM 1111 NH2 ARG A 71 12.507 23.603 -27.344 1.00 73.32 N ATOM 0 H ARG A 71 12.578 18.190 -22.641 1.00 25.13 H new ATOM 0 HA ARG A 71 13.151 20.533 -21.128 1.00 23.02 H new ATOM 0 HB2 ARG A 71 12.800 21.667 -23.309 1.00 62.12 H new ATOM 0 HB3 ARG A 71 13.829 20.259 -23.478 1.00 62.12 H new ATOM 0 HG2 ARG A 71 11.799 18.949 -24.237 1.00 3.00 H new ATOM 0 HG3 ARG A 71 10.881 20.441 -24.205 1.00 3.00 H new ATOM 0 HD2 ARG A 71 13.370 19.953 -25.892 1.00 2.33 H new ATOM 0 HD3 ARG A 71 11.722 19.870 -26.482 1.00 2.33 H new ATOM 0 HE ARG A 71 12.316 22.429 -25.217 1.00 12.00 H new ATOM 0 HH11 ARG A 71 12.588 20.544 -28.148 1.00 21.25 H new ATOM 0 HH12 ARG A 71 12.677 21.976 -29.179 1.00 21.25 H new ATOM 0 HH21 ARG A 71 12.432 24.205 -26.524 1.00 73.32 H new ATOM 0 HH22 ARG A 71 12.591 24.015 -28.273 1.00 73.32 H new ATOM 1125 N GLU A 72 9.977 19.981 -21.824 1.00 70.35 N ATOM 1126 CA GLU A 72 8.614 20.456 -21.542 1.00 51.24 C ATOM 1127 C GLU A 72 8.097 20.007 -20.163 1.00 53.22 C ATOM 1128 O GLU A 72 7.645 20.831 -19.367 1.00 23.10 O ATOM 1129 CB GLU A 72 7.646 20.004 -22.643 1.00 34.20 C ATOM 1130 CG GLU A 72 7.990 20.559 -24.024 1.00 65.13 C ATOM 1131 CD GLU A 72 6.821 20.488 -24.992 1.00 13.31 C ATOM 1132 OE1 GLU A 72 6.002 21.433 -25.003 1.00 4.33 O ATOM 1133 OE2 GLU A 72 6.712 19.494 -25.739 1.00 74.31 O ATOM 0 H GLU A 72 10.022 19.085 -22.310 1.00 70.35 H new ATOM 0 HA GLU A 72 8.662 21.545 -21.526 1.00 51.24 H new ATOM 0 HB2 GLU A 72 7.643 18.915 -22.688 1.00 34.20 H new ATOM 0 HB3 GLU A 72 6.636 20.314 -22.377 1.00 34.20 H new ATOM 0 HG2 GLU A 72 8.312 21.596 -23.925 1.00 65.13 H new ATOM 0 HG3 GLU A 72 8.832 20.002 -24.436 1.00 65.13 H new ATOM 1140 N GLU A 73 8.170 18.708 -19.876 1.00 34.22 N ATOM 1141 CA GLU A 73 7.625 18.169 -18.621 1.00 35.24 C ATOM 1142 C GLU A 73 8.612 18.336 -17.455 1.00 52.52 C ATOM 1143 O GLU A 73 8.246 18.832 -16.388 1.00 4.42 O ATOM 1144 CB GLU A 73 7.250 16.687 -18.784 1.00 74.24 C ATOM 1145 CG GLU A 73 6.346 16.392 -19.984 1.00 11.41 C ATOM 1146 CD GLU A 73 5.023 17.153 -19.967 1.00 23.33 C ATOM 1147 OE1 GLU A 73 4.581 17.591 -18.880 1.00 33.24 O ATOM 1148 OE2 GLU A 73 4.406 17.294 -21.047 1.00 2.43 O ATOM 0 H GLU A 73 8.596 18.011 -20.486 1.00 34.22 H new ATOM 0 HA GLU A 73 6.727 18.740 -18.387 1.00 35.24 H new ATOM 0 HB2 GLU A 73 8.165 16.102 -18.881 1.00 74.24 H new ATOM 0 HB3 GLU A 73 6.750 16.349 -17.876 1.00 74.24 H new ATOM 0 HG2 GLU A 73 6.883 16.638 -20.900 1.00 11.41 H new ATOM 0 HG3 GLU A 73 6.138 15.323 -20.015 1.00 11.41 H new ATOM 1155 N GLY A 74 9.858 17.912 -17.660 1.00 70.14 N ATOM 1156 CA GLY A 74 10.882 18.044 -16.623 1.00 65.42 C ATOM 1157 C GLY A 74 11.533 19.427 -16.604 1.00 61.52 C ATOM 1158 O GLY A 74 10.849 20.442 -16.440 1.00 11.04 O ATOM 0 H GLY A 74 10.181 17.478 -18.525 1.00 70.14 H new ATOM 0 HA2 GLY A 74 10.434 17.845 -15.649 1.00 65.42 H new ATOM 0 HA3 GLY A 74 11.651 17.288 -16.780 1.00 65.42 H new ATOM 1162 N THR A 75 12.855 19.476 -16.760 1.00 20.03 N ATOM 1163 CA THR A 75 13.579 20.755 -16.829 1.00 55.44 C ATOM 1164 C THR A 75 14.842 20.643 -17.697 1.00 0.23 C ATOM 1165 O THR A 75 15.188 19.558 -18.176 1.00 44.21 O ATOM 1166 CB THR A 75 13.967 21.277 -15.421 1.00 20.44 C ATOM 1167 OG1 THR A 75 14.613 22.556 -15.527 1.00 45.12 O ATOM 1168 CG2 THR A 75 14.887 20.299 -14.697 1.00 51.15 C ATOM 0 H THR A 75 13.449 18.651 -16.841 1.00 20.03 H new ATOM 0 HA THR A 75 12.895 21.469 -17.288 1.00 55.44 H new ATOM 0 HB THR A 75 13.049 21.377 -14.841 1.00 20.44 H new ATOM 0 HG1 THR A 75 15.584 22.439 -15.459 1.00 45.12 H new ATOM 0 HG21 THR A 75 15.139 20.696 -13.714 1.00 51.15 H new ATOM 0 HG22 THR A 75 14.381 19.340 -14.582 1.00 51.15 H new ATOM 0 HG23 THR A 75 15.799 20.160 -15.277 1.00 51.15 H new ATOM 1176 N GLN A 76 15.538 21.767 -17.887 1.00 12.13 N ATOM 1177 CA GLN A 76 16.733 21.812 -18.742 1.00 4.04 C ATOM 1178 C GLN A 76 17.845 20.893 -18.207 1.00 75.03 C ATOM 1179 O GLN A 76 18.697 20.428 -18.964 1.00 44.02 O ATOM 1180 CB GLN A 76 17.244 23.259 -18.872 1.00 2.55 C ATOM 1181 CG GLN A 76 18.355 23.436 -19.905 1.00 32.14 C ATOM 1182 CD GLN A 76 18.673 24.896 -20.180 1.00 34.50 C ATOM 1183 OE1 GLN A 76 19.533 25.492 -19.541 1.00 1.11 O ATOM 1184 NE2 GLN A 76 17.966 25.491 -21.121 1.00 34.31 N ATOM 0 H GLN A 76 15.296 22.661 -17.460 1.00 12.13 H new ATOM 0 HA GLN A 76 16.451 21.448 -19.730 1.00 4.04 H new ATOM 0 HB2 GLN A 76 16.408 23.906 -19.138 1.00 2.55 H new ATOM 0 HB3 GLN A 76 17.609 23.593 -17.901 1.00 2.55 H new ATOM 0 HG2 GLN A 76 19.256 22.932 -19.554 1.00 32.14 H new ATOM 0 HG3 GLN A 76 18.061 22.951 -20.836 1.00 32.14 H new ATOM 0 HE21 GLN A 76 17.258 24.967 -21.635 1.00 34.31 H new ATOM 0 HE22 GLN A 76 18.128 26.475 -21.335 1.00 34.31 H new ATOM 1193 N LYS A 77 17.822 20.629 -16.903 1.00 52.23 N ATOM 1194 CA LYS A 77 18.768 19.699 -16.279 1.00 64.53 C ATOM 1195 C LYS A 77 18.621 18.278 -16.855 1.00 35.02 C ATOM 1196 O LYS A 77 19.605 17.664 -17.275 1.00 43.14 O ATOM 1197 CB LYS A 77 18.553 19.682 -14.759 1.00 64.32 C ATOM 1198 CG LYS A 77 19.515 18.769 -14.003 1.00 5.44 C ATOM 1199 CD LYS A 77 19.288 18.833 -12.495 1.00 43.45 C ATOM 1200 CE LYS A 77 19.537 20.235 -11.944 1.00 32.55 C ATOM 1201 NZ LYS A 77 19.366 20.291 -10.470 1.00 72.21 N ATOM 0 H LYS A 77 17.156 21.047 -16.253 1.00 52.23 H new ATOM 0 HA LYS A 77 19.779 20.042 -16.498 1.00 64.53 H new ATOM 0 HB2 LYS A 77 18.657 20.698 -14.377 1.00 64.32 H new ATOM 0 HB3 LYS A 77 17.531 19.366 -14.551 1.00 64.32 H new ATOM 0 HG2 LYS A 77 19.388 17.742 -14.347 1.00 5.44 H new ATOM 0 HG3 LYS A 77 20.542 19.056 -14.229 1.00 5.44 H new ATOM 0 HD2 LYS A 77 18.266 18.529 -12.268 1.00 43.45 H new ATOM 0 HD3 LYS A 77 19.949 18.124 -11.997 1.00 43.45 H new ATOM 0 HE2 LYS A 77 20.547 20.553 -12.204 1.00 32.55 H new ATOM 0 HE3 LYS A 77 18.850 20.937 -12.416 1.00 32.55 H new ATOM 0 HZ1 LYS A 77 19.544 21.260 -10.136 1.00 72.21 H new ATOM 0 HZ2 LYS A 77 18.395 20.012 -10.222 1.00 72.21 H new ATOM 0 HZ3 LYS A 77 20.039 19.640 -10.017 1.00 72.21 H new ATOM 1215 N ASP A 78 17.387 17.769 -16.893 1.00 72.50 N ATOM 1216 CA ASP A 78 17.115 16.454 -17.487 1.00 55.33 C ATOM 1217 C ASP A 78 17.414 16.476 -18.991 1.00 20.33 C ATOM 1218 O ASP A 78 17.971 15.526 -19.549 1.00 20.32 O ATOM 1219 CB ASP A 78 15.657 16.055 -17.252 1.00 34.41 C ATOM 1220 CG ASP A 78 15.284 16.091 -15.783 1.00 10.15 C ATOM 1221 OD1 ASP A 78 15.615 15.129 -15.054 1.00 14.14 O ATOM 1222 OD2 ASP A 78 14.671 17.090 -15.350 1.00 4.12 O ATOM 0 H ASP A 78 16.563 18.243 -16.522 1.00 72.50 H new ATOM 0 HA ASP A 78 17.763 15.720 -17.009 1.00 55.33 H new ATOM 0 HB2 ASP A 78 15.004 16.728 -17.808 1.00 34.41 H new ATOM 0 HB3 ASP A 78 15.489 15.052 -17.644 1.00 34.41 H new ATOM 1227 N LEU A 79 17.037 17.581 -19.632 1.00 60.30 N ATOM 1228 CA LEU A 79 17.323 17.809 -21.050 1.00 53.53 C ATOM 1229 C LEU A 79 18.821 17.628 -21.350 1.00 3.01 C ATOM 1230 O LEU A 79 19.205 16.908 -22.274 1.00 35.45 O ATOM 1231 CB LEU A 79 16.877 19.227 -21.436 1.00 61.51 C ATOM 1232 CG LEU A 79 17.093 19.623 -22.904 1.00 1.43 C ATOM 1233 CD1 LEU A 79 16.248 18.754 -23.827 1.00 10.04 C ATOM 1234 CD2 LEU A 79 16.782 21.105 -23.113 1.00 2.24 C ATOM 0 H LEU A 79 16.526 18.343 -19.186 1.00 60.30 H new ATOM 0 HA LEU A 79 16.772 17.076 -21.639 1.00 53.53 H new ATOM 0 HB2 LEU A 79 15.817 19.329 -21.205 1.00 61.51 H new ATOM 0 HB3 LEU A 79 17.410 19.939 -20.806 1.00 61.51 H new ATOM 0 HG LEU A 79 18.141 19.458 -23.153 1.00 1.43 H new ATOM 0 HD11 LEU A 79 16.416 19.052 -24.862 1.00 10.04 H new ATOM 0 HD12 LEU A 79 16.528 17.708 -23.700 1.00 10.04 H new ATOM 0 HD13 LEU A 79 15.194 18.879 -23.580 1.00 10.04 H new ATOM 0 HD21 LEU A 79 16.941 21.366 -24.159 1.00 2.24 H new ATOM 0 HD22 LEU A 79 15.744 21.300 -22.844 1.00 2.24 H new ATOM 0 HD23 LEU A 79 17.439 21.707 -22.485 1.00 2.24 H new ATOM 1246 N SER A 80 19.660 18.277 -20.544 1.00 44.23 N ATOM 1247 CA SER A 80 21.120 18.195 -20.697 1.00 31.35 C ATOM 1248 C SER A 80 21.626 16.747 -20.610 1.00 11.44 C ATOM 1249 O SER A 80 22.456 16.318 -21.417 1.00 15.41 O ATOM 1250 CB SER A 80 21.820 19.046 -19.627 1.00 31.14 C ATOM 1251 OG SER A 80 23.233 18.965 -19.750 1.00 24.53 O ATOM 0 H SER A 80 19.355 18.870 -19.772 1.00 44.23 H new ATOM 0 HA SER A 80 21.360 18.580 -21.688 1.00 31.35 H new ATOM 0 HB2 SER A 80 21.503 20.085 -19.720 1.00 31.14 H new ATOM 0 HB3 SER A 80 21.519 18.708 -18.635 1.00 31.14 H new ATOM 0 HG SER A 80 23.654 19.517 -19.058 1.00 24.53 H new ATOM 1257 N GLU A 81 21.118 16.002 -19.628 1.00 74.12 N ATOM 1258 CA GLU A 81 21.508 14.599 -19.418 1.00 53.15 C ATOM 1259 C GLU A 81 21.179 13.721 -20.639 1.00 52.43 C ATOM 1260 O GLU A 81 22.039 12.990 -21.143 1.00 63.43 O ATOM 1261 CB GLU A 81 20.807 14.041 -18.167 1.00 53.11 C ATOM 1262 CG GLU A 81 21.204 14.740 -16.868 1.00 62.31 C ATOM 1263 CD GLU A 81 22.622 14.412 -16.419 1.00 13.12 C ATOM 1264 OE1 GLU A 81 23.583 14.982 -16.980 1.00 62.21 O ATOM 1265 OE2 GLU A 81 22.781 13.576 -15.502 1.00 25.10 O ATOM 0 H GLU A 81 20.430 16.346 -18.958 1.00 74.12 H new ATOM 0 HA GLU A 81 22.588 14.575 -19.276 1.00 53.15 H new ATOM 0 HB2 GLU A 81 19.728 14.127 -18.299 1.00 53.11 H new ATOM 0 HB3 GLU A 81 21.034 12.978 -18.080 1.00 53.11 H new ATOM 0 HG2 GLU A 81 21.112 15.818 -17.000 1.00 62.31 H new ATOM 0 HG3 GLU A 81 20.506 14.455 -16.081 1.00 62.31 H new ATOM 1272 N LEU A 82 19.932 13.797 -21.109 1.00 74.34 N ATOM 1273 CA LEU A 82 19.482 12.994 -22.259 1.00 65.41 C ATOM 1274 C LEU A 82 20.219 13.385 -23.551 1.00 31.42 C ATOM 1275 O LEU A 82 20.645 12.519 -24.322 1.00 51.30 O ATOM 1276 CB LEU A 82 17.965 13.140 -22.443 1.00 1.25 C ATOM 1277 CG LEU A 82 17.116 12.674 -21.245 1.00 4.54 C ATOM 1278 CD1 LEU A 82 15.631 12.878 -21.522 1.00 3.50 C ATOM 1279 CD2 LEU A 82 17.404 11.210 -20.911 1.00 62.11 C ATOM 0 H LEU A 82 19.213 14.404 -20.715 1.00 74.34 H new ATOM 0 HA LEU A 82 19.719 11.951 -22.050 1.00 65.41 H new ATOM 0 HB2 LEU A 82 17.738 14.187 -22.645 1.00 1.25 H new ATOM 0 HB3 LEU A 82 17.665 12.573 -23.324 1.00 1.25 H new ATOM 0 HG LEU A 82 17.389 13.281 -20.382 1.00 4.54 H new ATOM 0 HD11 LEU A 82 15.051 12.542 -20.662 1.00 3.50 H new ATOM 0 HD12 LEU A 82 15.436 13.936 -21.700 1.00 3.50 H new ATOM 0 HD13 LEU A 82 15.343 12.303 -22.402 1.00 3.50 H new ATOM 0 HD21 LEU A 82 16.793 10.904 -20.062 1.00 62.11 H new ATOM 0 HD22 LEU A 82 17.166 10.587 -21.773 1.00 62.11 H new ATOM 0 HD23 LEU A 82 18.458 11.095 -20.660 1.00 62.11 H new ATOM 1291 N GLN A 83 20.366 14.691 -23.784 1.00 41.12 N ATOM 1292 CA GLN A 83 21.136 15.190 -24.931 1.00 65.15 C ATOM 1293 C GLN A 83 22.576 14.657 -24.904 1.00 74.12 C ATOM 1294 O GLN A 83 23.095 14.184 -25.917 1.00 63.21 O ATOM 1295 CB GLN A 83 21.153 16.726 -24.939 1.00 25.24 C ATOM 1296 CG GLN A 83 19.804 17.365 -25.259 1.00 10.31 C ATOM 1297 CD GLN A 83 19.822 18.880 -25.125 1.00 0.22 C ATOM 1298 OE1 GLN A 83 19.139 19.589 -25.852 1.00 44.30 O ATOM 1299 NE2 GLN A 83 20.583 19.391 -24.175 1.00 22.53 N ATOM 0 H GLN A 83 19.964 15.422 -23.197 1.00 41.12 H new ATOM 0 HA GLN A 83 20.650 14.832 -25.839 1.00 65.15 H new ATOM 0 HB2 GLN A 83 21.488 17.080 -23.964 1.00 25.24 H new ATOM 0 HB3 GLN A 83 21.886 17.066 -25.670 1.00 25.24 H new ATOM 0 HG2 GLN A 83 19.513 17.098 -26.275 1.00 10.31 H new ATOM 0 HG3 GLN A 83 19.046 16.955 -24.592 1.00 10.31 H new ATOM 0 HE21 GLN A 83 21.142 18.776 -23.584 1.00 22.53 H new ATOM 0 HE22 GLN A 83 20.612 20.401 -24.032 1.00 22.53 H new ATOM 1308 N ASP A 84 23.208 14.727 -23.736 1.00 32.23 N ATOM 1309 CA ASP A 84 24.578 14.240 -23.565 1.00 14.22 C ATOM 1310 C ASP A 84 24.673 12.729 -23.834 1.00 34.53 C ATOM 1311 O ASP A 84 25.605 12.262 -24.492 1.00 2.44 O ATOM 1312 CB ASP A 84 25.066 14.556 -22.149 1.00 3.43 C ATOM 1313 CG ASP A 84 26.453 14.004 -21.880 1.00 63.40 C ATOM 1314 OD1 ASP A 84 27.443 14.658 -22.270 1.00 72.25 O ATOM 1315 OD2 ASP A 84 26.558 12.916 -21.278 1.00 41.45 O ATOM 0 H ASP A 84 22.794 15.117 -22.890 1.00 32.23 H new ATOM 0 HA ASP A 84 25.214 14.748 -24.290 1.00 14.22 H new ATOM 0 HB2 ASP A 84 25.073 15.636 -22.002 1.00 3.43 H new ATOM 0 HB3 ASP A 84 24.365 14.140 -21.425 1.00 3.43 H new ATOM 1320 N ALA A 85 23.695 11.979 -23.333 1.00 64.24 N ATOM 1321 CA ALA A 85 23.679 10.521 -23.477 1.00 62.13 C ATOM 1322 C ALA A 85 23.742 10.087 -24.953 1.00 10.52 C ATOM 1323 O ALA A 85 24.578 9.268 -25.332 1.00 5.03 O ATOM 1324 CB ALA A 85 22.441 9.949 -22.801 1.00 11.02 C ATOM 0 H ALA A 85 22.898 12.357 -22.821 1.00 64.24 H new ATOM 0 HA ALA A 85 24.570 10.126 -22.990 1.00 62.13 H new ATOM 0 HB1 ALA A 85 22.434 8.865 -22.911 1.00 11.02 H new ATOM 0 HB2 ALA A 85 22.453 10.206 -21.742 1.00 11.02 H new ATOM 0 HB3 ALA A 85 21.547 10.366 -23.265 1.00 11.02 H new ATOM 1330 N LYS A 86 22.872 10.654 -25.789 1.00 50.32 N ATOM 1331 CA LYS A 86 22.878 10.342 -27.225 1.00 1.32 C ATOM 1332 C LYS A 86 24.087 10.979 -27.934 1.00 62.33 C ATOM 1333 O LYS A 86 24.607 10.434 -28.911 1.00 14.24 O ATOM 1334 CB LYS A 86 21.571 10.805 -27.888 1.00 22.41 C ATOM 1335 CG LYS A 86 21.321 12.310 -27.808 1.00 22.41 C ATOM 1336 CD LYS A 86 20.044 12.713 -28.543 1.00 60.30 C ATOM 1337 CE LYS A 86 20.140 12.459 -30.047 1.00 5.32 C ATOM 1338 NZ LYS A 86 21.184 13.299 -30.694 1.00 33.00 N ATOM 0 H LYS A 86 22.159 11.326 -25.504 1.00 50.32 H new ATOM 0 HA LYS A 86 22.959 9.260 -27.325 1.00 1.32 H new ATOM 0 HB2 LYS A 86 21.584 10.506 -28.936 1.00 22.41 H new ATOM 0 HB3 LYS A 86 20.736 10.285 -27.419 1.00 22.41 H new ATOM 0 HG2 LYS A 86 21.249 12.611 -26.763 1.00 22.41 H new ATOM 0 HG3 LYS A 86 22.170 12.843 -28.236 1.00 22.41 H new ATOM 0 HD2 LYS A 86 19.201 12.156 -28.135 1.00 60.30 H new ATOM 0 HD3 LYS A 86 19.843 13.770 -28.367 1.00 60.30 H new ATOM 0 HE2 LYS A 86 20.363 11.407 -30.222 1.00 5.32 H new ATOM 0 HE3 LYS A 86 19.174 12.662 -30.510 1.00 5.32 H new ATOM 0 HZ1 LYS A 86 21.090 13.234 -31.728 1.00 33.00 H new ATOM 0 HZ2 LYS A 86 21.067 14.289 -30.397 1.00 33.00 H new ATOM 0 HZ3 LYS A 86 22.126 12.962 -30.410 1.00 33.00 H new ATOM 1352 N LEU A 87 24.532 12.129 -27.427 1.00 44.24 N ATOM 1353 CA LEU A 87 25.670 12.854 -28.005 1.00 3.44 C ATOM 1354 C LEU A 87 26.952 12.005 -27.968 1.00 10.42 C ATOM 1355 O LEU A 87 27.672 11.901 -28.963 1.00 70.21 O ATOM 1356 CB LEU A 87 25.882 14.176 -27.250 1.00 71.04 C ATOM 1357 CG LEU A 87 26.961 15.109 -27.824 1.00 63.14 C ATOM 1358 CD1 LEU A 87 26.616 15.525 -29.253 1.00 34.42 C ATOM 1359 CD2 LEU A 87 27.132 16.337 -26.934 1.00 5.45 C ATOM 0 H LEU A 87 24.120 12.583 -26.612 1.00 44.24 H new ATOM 0 HA LEU A 87 25.445 13.068 -29.050 1.00 3.44 H new ATOM 0 HB2 LEU A 87 24.935 14.716 -27.229 1.00 71.04 H new ATOM 0 HB3 LEU A 87 26.141 13.945 -26.217 1.00 71.04 H new ATOM 0 HG LEU A 87 27.905 14.565 -27.848 1.00 63.14 H new ATOM 0 HD11 LEU A 87 27.394 16.185 -29.638 1.00 34.42 H new ATOM 0 HD12 LEU A 87 26.547 14.639 -29.884 1.00 34.42 H new ATOM 0 HD13 LEU A 87 25.660 16.049 -29.259 1.00 34.42 H new ATOM 0 HD21 LEU A 87 27.899 16.987 -27.354 1.00 5.45 H new ATOM 0 HD22 LEU A 87 26.188 16.879 -26.877 1.00 5.45 H new ATOM 0 HD23 LEU A 87 27.431 16.023 -25.934 1.00 5.45 H new ATOM 1371 N LYS A 88 27.233 11.405 -26.813 1.00 75.11 N ATOM 1372 CA LYS A 88 28.386 10.506 -26.673 1.00 10.24 C ATOM 1373 C LYS A 88 28.126 9.150 -27.351 1.00 72.35 C ATOM 1374 O LYS A 88 29.035 8.545 -27.918 1.00 33.41 O ATOM 1375 CB LYS A 88 28.732 10.297 -25.190 1.00 34.24 C ATOM 1376 CG LYS A 88 27.612 9.660 -24.370 1.00 4.13 C ATOM 1377 CD LYS A 88 28.006 9.480 -22.906 1.00 14.42 C ATOM 1378 CE LYS A 88 26.884 8.846 -22.089 1.00 11.43 C ATOM 1379 NZ LYS A 88 27.270 8.665 -20.665 1.00 4.30 N ATOM 0 H LYS A 88 26.683 11.522 -25.962 1.00 75.11 H new ATOM 0 HA LYS A 88 29.233 10.977 -27.171 1.00 10.24 H new ATOM 0 HB2 LYS A 88 29.620 9.669 -25.121 1.00 34.24 H new ATOM 0 HB3 LYS A 88 28.987 11.260 -24.749 1.00 34.24 H new ATOM 0 HG2 LYS A 88 26.719 10.282 -24.431 1.00 4.13 H new ATOM 0 HG3 LYS A 88 27.355 8.691 -24.798 1.00 4.13 H new ATOM 0 HD2 LYS A 88 28.898 8.856 -22.844 1.00 14.42 H new ATOM 0 HD3 LYS A 88 28.264 10.448 -22.478 1.00 14.42 H new ATOM 0 HE2 LYS A 88 25.994 9.472 -22.147 1.00 11.43 H new ATOM 0 HE3 LYS A 88 26.622 7.880 -22.520 1.00 11.43 H new ATOM 0 HZ1 LYS A 88 26.481 8.232 -20.144 1.00 4.30 H new ATOM 0 HZ2 LYS A 88 28.104 8.047 -20.607 1.00 4.30 H new ATOM 0 HZ3 LYS A 88 27.495 9.590 -20.246 1.00 4.30 H new ATOM 1393 N ALA A 89 26.874 8.688 -27.293 1.00 53.23 N ATOM 1394 CA ALA A 89 26.481 7.399 -27.881 1.00 4.14 C ATOM 1395 C ALA A 89 26.816 7.306 -29.380 1.00 30.42 C ATOM 1396 O ALA A 89 27.279 6.268 -29.863 1.00 33.43 O ATOM 1397 CB ALA A 89 24.994 7.159 -27.657 1.00 12.13 C ATOM 0 H ALA A 89 26.109 9.189 -26.842 1.00 53.23 H new ATOM 0 HA ALA A 89 27.059 6.624 -27.378 1.00 4.14 H new ATOM 0 HB1 ALA A 89 24.710 6.202 -28.095 1.00 12.13 H new ATOM 0 HB2 ALA A 89 24.785 7.145 -26.587 1.00 12.13 H new ATOM 0 HB3 ALA A 89 24.421 7.958 -28.128 1.00 12.13 H new ATOM 1403 N GLU A 90 26.579 8.392 -30.115 1.00 35.02 N ATOM 1404 CA GLU A 90 26.910 8.450 -31.546 1.00 44.12 C ATOM 1405 C GLU A 90 28.424 8.317 -31.794 1.00 34.54 C ATOM 1406 O GLU A 90 28.850 7.942 -32.887 1.00 3.24 O ATOM 1407 CB GLU A 90 26.388 9.763 -32.154 1.00 24.11 C ATOM 1408 CG GLU A 90 24.862 9.856 -32.228 1.00 74.23 C ATOM 1409 CD GLU A 90 24.259 9.088 -33.404 1.00 1.54 C ATOM 1410 OE1 GLU A 90 24.544 7.880 -33.554 1.00 34.51 O ATOM 1411 OE2 GLU A 90 23.481 9.691 -34.179 1.00 70.23 O ATOM 0 H GLU A 90 26.159 9.246 -29.747 1.00 35.02 H new ATOM 0 HA GLU A 90 26.423 7.604 -32.031 1.00 44.12 H new ATOM 0 HB2 GLU A 90 26.764 10.599 -31.563 1.00 24.11 H new ATOM 0 HB3 GLU A 90 26.797 9.873 -33.158 1.00 24.11 H new ATOM 0 HG2 GLU A 90 24.438 9.474 -31.299 1.00 74.23 H new ATOM 0 HG3 GLU A 90 24.573 10.904 -32.303 1.00 74.23 H new ATOM 1418 N GLY A 91 29.230 8.611 -30.772 1.00 65.20 N ATOM 1419 CA GLY A 91 30.685 8.529 -30.905 1.00 50.13 C ATOM 1420 C GLY A 91 31.289 7.266 -30.290 1.00 44.54 C ATOM 1421 O GLY A 91 32.512 7.128 -30.219 1.00 44.54 O ATOM 0 H GLY A 91 28.904 8.905 -29.852 1.00 65.20 H new ATOM 0 HA2 GLY A 91 30.947 8.568 -31.962 1.00 50.13 H new ATOM 0 HA3 GLY A 91 31.134 9.403 -30.433 1.00 50.13 H new ATOM 1425 N LEU A 92 30.440 6.342 -29.836 1.00 50.30 N ATOM 1426 CA LEU A 92 30.910 5.083 -29.235 1.00 4.35 C ATOM 1427 C LEU A 92 31.296 4.043 -30.301 1.00 72.04 C ATOM 1428 O LEU A 92 32.095 3.137 -30.042 1.00 44.33 O ATOM 1429 CB LEU A 92 29.831 4.494 -28.315 1.00 61.44 C ATOM 1430 CG LEU A 92 29.466 5.349 -27.093 1.00 24.43 C ATOM 1431 CD1 LEU A 92 28.388 4.660 -26.260 1.00 5.51 C ATOM 1432 CD2 LEU A 92 30.703 5.643 -26.248 1.00 54.51 C ATOM 0 H LEU A 92 29.425 6.437 -29.871 1.00 50.30 H new ATOM 0 HA LEU A 92 31.802 5.319 -28.654 1.00 4.35 H new ATOM 0 HB2 LEU A 92 28.928 4.327 -28.903 1.00 61.44 H new ATOM 0 HB3 LEU A 92 30.169 3.518 -27.966 1.00 61.44 H new ATOM 0 HG LEU A 92 29.067 6.300 -27.447 1.00 24.43 H new ATOM 0 HD11 LEU A 92 28.142 5.280 -25.398 1.00 5.51 H new ATOM 0 HD12 LEU A 92 27.496 4.514 -26.869 1.00 5.51 H new ATOM 0 HD13 LEU A 92 28.756 3.693 -25.918 1.00 5.51 H new ATOM 0 HD21 LEU A 92 30.420 6.250 -25.388 1.00 54.51 H new ATOM 0 HD22 LEU A 92 31.139 4.706 -25.903 1.00 54.51 H new ATOM 0 HD23 LEU A 92 31.434 6.184 -26.849 1.00 54.51 H new ATOM 1444 N GLU A 93 30.715 4.167 -31.492 1.00 52.51 N ATOM 1445 CA GLU A 93 30.957 3.208 -32.576 1.00 40.20 C ATOM 1446 C GLU A 93 30.494 3.764 -33.934 1.00 13.14 C ATOM 1447 O GLU A 93 29.923 4.853 -34.012 1.00 74.54 O ATOM 1448 CB GLU A 93 30.238 1.886 -32.271 1.00 63.24 C ATOM 1449 CG GLU A 93 28.722 2.018 -32.201 1.00 72.35 C ATOM 1450 CD GLU A 93 28.031 0.744 -31.740 1.00 43.41 C ATOM 1451 OE1 GLU A 93 28.293 -0.328 -32.328 1.00 20.00 O ATOM 1452 OE2 GLU A 93 27.215 0.814 -30.799 1.00 32.22 O ATOM 0 H GLU A 93 30.073 4.921 -31.735 1.00 52.51 H new ATOM 0 HA GLU A 93 32.031 3.031 -32.639 1.00 40.20 H new ATOM 0 HB2 GLU A 93 30.496 1.156 -33.039 1.00 63.24 H new ATOM 0 HB3 GLU A 93 30.604 1.493 -31.322 1.00 63.24 H new ATOM 0 HG2 GLU A 93 28.465 2.830 -31.520 1.00 72.35 H new ATOM 0 HG3 GLU A 93 28.342 2.295 -33.184 1.00 72.35 H new ATOM 1459 N HIS A 94 30.719 2.999 -35.000 1.00 30.01 N ATOM 1460 CA HIS A 94 30.401 3.451 -36.360 1.00 71.44 C ATOM 1461 C HIS A 94 28.897 3.333 -36.664 1.00 2.55 C ATOM 1462 O HIS A 94 28.440 2.329 -37.207 1.00 32.21 O ATOM 1463 CB HIS A 94 31.204 2.642 -37.392 1.00 52.43 C ATOM 1464 CG HIS A 94 32.690 2.737 -37.221 1.00 52.11 C ATOM 1465 ND1 HIS A 94 33.534 3.213 -38.202 1.00 5.34 N ATOM 1466 CD2 HIS A 94 33.489 2.388 -36.186 1.00 73.32 C ATOM 1467 CE1 HIS A 94 34.777 3.152 -37.779 1.00 5.33 C ATOM 1468 NE2 HIS A 94 34.779 2.657 -36.561 1.00 22.03 N ATOM 0 H HIS A 94 31.120 2.062 -34.952 1.00 30.01 H new ATOM 0 HA HIS A 94 30.677 4.503 -36.427 1.00 71.44 H new ATOM 0 HB2 HIS A 94 30.908 1.595 -37.327 1.00 52.43 H new ATOM 0 HB3 HIS A 94 30.941 2.987 -38.392 1.00 52.43 H new ATOM 0 HD2 HIS A 94 33.169 1.975 -35.241 1.00 73.32 H new ATOM 0 HE1 HIS A 94 35.649 3.457 -38.338 1.00 5.33 H new ATOM 0 HE2 HIS A 94 35.608 2.499 -35.988 1.00 22.03 H new ATOM 1477 N HIS A 95 28.125 4.352 -36.293 1.00 31.34 N ATOM 1478 CA HIS A 95 26.686 4.374 -36.592 1.00 24.33 C ATOM 1479 C HIS A 95 26.415 4.902 -38.008 1.00 45.10 C ATOM 1480 O HIS A 95 25.809 4.219 -38.835 1.00 43.44 O ATOM 1481 CB HIS A 95 25.935 5.228 -35.563 1.00 2.53 C ATOM 1482 CG HIS A 95 25.897 4.621 -34.196 1.00 31.33 C ATOM 1483 ND1 HIS A 95 25.674 5.354 -33.053 1.00 4.02 N ATOM 1484 CD2 HIS A 95 26.027 3.336 -33.795 1.00 23.23 C ATOM 1485 CE1 HIS A 95 25.671 4.551 -32.011 1.00 32.33 C ATOM 1486 NE2 HIS A 95 25.881 3.321 -32.431 1.00 61.30 N ATOM 0 H HIS A 95 28.464 5.171 -35.788 1.00 31.34 H new ATOM 0 HA HIS A 95 26.324 3.348 -36.536 1.00 24.33 H new ATOM 0 HB2 HIS A 95 26.407 6.209 -35.503 1.00 2.53 H new ATOM 0 HB3 HIS A 95 24.914 5.386 -35.910 1.00 2.53 H new ATOM 0 HD1 HIS A 95 25.533 6.364 -33.019 1.00 4.02 H new ATOM 0 HD2 HIS A 95 26.211 2.482 -34.430 1.00 23.23 H new ATOM 0 HE1 HIS A 95 25.521 4.850 -30.984 1.00 32.33 H new ATOM 1495 N HIS A 96 26.865 6.124 -38.282 1.00 61.32 N ATOM 1496 CA HIS A 96 26.668 6.744 -39.600 1.00 70.32 C ATOM 1497 C HIS A 96 27.969 6.708 -40.420 1.00 14.21 C ATOM 1498 O HIS A 96 29.035 6.388 -39.888 1.00 34.25 O ATOM 1499 CB HIS A 96 26.169 8.184 -39.433 1.00 70.14 C ATOM 1500 CG HIS A 96 24.982 8.298 -38.520 1.00 65.42 C ATOM 1501 ND1 HIS A 96 23.731 7.810 -38.833 1.00 24.42 N ATOM 1502 CD2 HIS A 96 24.869 8.831 -37.280 1.00 74.20 C ATOM 1503 CE1 HIS A 96 22.905 8.039 -37.831 1.00 54.52 C ATOM 1504 NE2 HIS A 96 23.571 8.655 -36.878 1.00 55.20 N ATOM 0 H HIS A 96 27.368 6.708 -37.614 1.00 61.32 H new ATOM 0 HA HIS A 96 25.914 6.175 -40.144 1.00 70.32 H new ATOM 0 HB2 HIS A 96 26.980 8.799 -39.043 1.00 70.14 H new ATOM 0 HB3 HIS A 96 25.906 8.586 -40.411 1.00 70.14 H new ATOM 0 HD2 HIS A 96 25.656 9.306 -36.713 1.00 74.20 H new ATOM 0 HE1 HIS A 96 21.860 7.767 -37.798 1.00 54.52 H new ATOM 0 HE2 HIS A 96 23.183 8.954 -35.983 1.00 55.20 H new ATOM 1513 N HIS A 97 27.889 7.032 -41.713 1.00 4.12 N ATOM 1514 CA HIS A 97 29.058 6.922 -42.600 1.00 20.33 C ATOM 1515 C HIS A 97 29.732 8.280 -42.868 1.00 1.01 C ATOM 1516 O HIS A 97 30.942 8.342 -43.074 1.00 23.43 O ATOM 1517 CB HIS A 97 28.668 6.260 -43.928 1.00 42.51 C ATOM 1518 CG HIS A 97 29.846 5.959 -44.808 1.00 51.23 C ATOM 1519 ND1 HIS A 97 30.938 5.236 -44.378 1.00 51.23 N ATOM 1520 CD2 HIS A 97 30.111 6.294 -46.094 1.00 32.54 C ATOM 1521 CE1 HIS A 97 31.815 5.139 -45.351 1.00 23.40 C ATOM 1522 NE2 HIS A 97 31.341 5.770 -46.403 1.00 11.33 N ATOM 0 H HIS A 97 27.040 7.369 -42.168 1.00 4.12 H new ATOM 0 HA HIS A 97 29.784 6.297 -42.080 1.00 20.33 H new ATOM 0 HB2 HIS A 97 28.132 5.334 -43.721 1.00 42.51 H new ATOM 0 HB3 HIS A 97 27.980 6.914 -44.464 1.00 42.51 H new ATOM 0 HD2 HIS A 97 29.474 6.866 -46.752 1.00 32.54 H new ATOM 0 HE1 HIS A 97 32.765 4.628 -45.296 1.00 23.40 H new ATOM 0 HE2 HIS A 97 31.812 5.856 -47.304 1.00 11.33 H new ATOM 1531 N HIS A 98 28.960 9.363 -42.873 1.00 50.42 N ATOM 1532 CA HIS A 98 29.514 10.698 -43.153 1.00 2.11 C ATOM 1533 C HIS A 98 29.087 11.725 -42.084 1.00 14.03 C ATOM 1534 O HIS A 98 29.189 12.938 -42.290 1.00 14.25 O ATOM 1535 CB HIS A 98 29.077 11.153 -44.555 1.00 71.52 C ATOM 1536 CG HIS A 98 29.790 12.377 -45.056 1.00 4.11 C ATOM 1537 ND1 HIS A 98 29.161 13.581 -45.275 1.00 35.51 N ATOM 1538 CD2 HIS A 98 31.088 12.572 -45.395 1.00 60.12 C ATOM 1539 CE1 HIS A 98 30.032 14.459 -45.726 1.00 12.12 C ATOM 1540 NE2 HIS A 98 31.210 13.876 -45.808 1.00 53.31 N ATOM 0 H HIS A 98 27.957 9.351 -42.689 1.00 50.42 H new ATOM 0 HA HIS A 98 30.602 10.634 -43.120 1.00 2.11 H new ATOM 0 HB2 HIS A 98 29.243 10.337 -45.258 1.00 71.52 H new ATOM 0 HB3 HIS A 98 28.005 11.350 -44.543 1.00 71.52 H new ATOM 0 HD2 HIS A 98 31.879 11.838 -45.349 1.00 60.12 H new ATOM 0 HE1 HIS A 98 29.817 15.485 -45.985 1.00 12.12 H new ATOM 0 HE2 HIS A 98 32.071 14.320 -46.126 1.00 53.31 H new ATOM 1549 N HIS A 99 28.629 11.232 -40.935 1.00 13.14 N ATOM 1550 CA HIS A 99 28.225 12.101 -39.822 1.00 5.10 C ATOM 1551 C HIS A 99 28.450 11.408 -38.460 1.00 44.45 C ATOM 1552 O HIS A 99 27.535 10.701 -37.982 1.00 37.08 O ATOM 1553 CB HIS A 99 26.751 12.517 -39.979 1.00 15.24 C ATOM 1554 CG HIS A 99 26.298 13.519 -38.957 1.00 44.22 C ATOM 1555 ND1 HIS A 99 25.502 13.193 -37.878 1.00 41.11 N ATOM 1556 CD2 HIS A 99 26.543 14.847 -38.846 1.00 42.03 C ATOM 1557 CE1 HIS A 99 25.280 14.270 -37.153 1.00 62.04 C ATOM 1558 NE2 HIS A 99 25.900 15.285 -37.716 1.00 23.40 N ATOM 1559 OXT HIS A 99 29.542 11.582 -37.871 1.00 37.08 O ATOM 0 H HIS A 99 28.527 10.235 -40.746 1.00 13.14 H new ATOM 0 HA HIS A 99 28.848 12.995 -39.848 1.00 5.10 H new ATOM 0 HB2 HIS A 99 26.604 12.934 -40.975 1.00 15.24 H new ATOM 0 HB3 HIS A 99 26.122 11.629 -39.909 1.00 15.24 H new ATOM 0 HD2 HIS A 99 27.134 15.448 -39.521 1.00 42.03 H new ATOM 0 HE1 HIS A 99 24.689 14.313 -36.250 1.00 62.04 H new ATOM 0 HE2 HIS A 99 25.902 16.244 -37.368 1.00 23.40 H new TER 1568 HIS A 99