USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 987 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 71 GLN : amide:sc= 0.786 K(o=1.4,f=-2.7!) USER MOD Set 1.2: A 104 THR OG1 : rot -64:sc= 0.582 USER MOD Set 2.1: A 47 LYS NZ :NH3+ 162:sc= 1.46 (180deg=0.688) USER MOD Set 2.2: A 56 TYR OH : rot 180:sc= 0.217 USER MOD Set 3.1: A 21 THR OG1 : rot -150:sc= -0.82 USER MOD Set 3.2: A 37 ASN : amide:sc= -0.451 K(o=-1.3,f=-6.5!) USER MOD Single : A 1 MET CE :methyl 156:sc= 0 (180deg=-0.856) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -166:sc= -1.83! (180deg=-2.48!) USER MOD Single : A 5 THR OG1 : rot -140:sc= -0.601 USER MOD Single : A 6 TYR OH : rot 10:sc= 1.06 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 158:sc= -1.62! USER MOD Single : A 19 LYS NZ :NH3+ 170:sc= 1.05 (180deg=0.915) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -123:sc= 0.119 (180deg=-0.0611) USER MOD Single : A 28 ASN : amide:sc= -0.147 X(o=-0.15,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 166:sc= -0.0301 (180deg=-0.226) USER MOD Single : A 33 SER OG : rot -136:sc= 0.0436 USER MOD Single : A 40 ASN : amide:sc= 0.312 K(o=0.31,f=-7.1!) USER MOD Single : A 41 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0876) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 94:sc= 0.841 USER MOD Single : A 53 ASN : amide:sc= 0.767 K(o=0.77,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -160:sc= -0.106 (180deg=-0.541) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0.0209 X(o=0.021,f=-0.017) USER MOD Single : A 69 HIS : no HD1:sc= -2.09! C(o=-2.1!,f=-3.3!) USER MOD Single : A 74 LYS NZ :NH3+ 159:sc= 0.643 (180deg=0.408) USER MOD Single : A 78 TYR OH : rot 180:sc=-0.00473 USER MOD Single : A 82 LYS NZ :NH3+ -169:sc= 0.606 (180deg=0.524) USER MOD Single : A 83 GLN : amide:sc= 0.966 K(o=0.97,f=-5!) USER MOD Single : A 86 THR OG1 : rot -18:sc= 0.507 USER MOD Single : A 89 LYS NZ :NH3+ 167:sc= -0.0145 (180deg=-0.166) USER MOD Single : A 90 TYR OH : rot 37:sc= -0.0674 USER MOD Single : A 91 LYS NZ :NH3+ -176:sc= 0.603 (180deg=0.595) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= 0.144 K(o=0.14,f=-1.7) USER MOD Single : A 97 THR OG1 : rot -140:sc= -0.0725 USER MOD Single : A 101 SER OG : rot -14:sc= 0.0164 USER MOD Single : A 106 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0363) USER MOD Single : A 108 LYS NZ :NH3+ -134:sc= -0.0554 (180deg=-0.316) USER MOD Single : A 109 LYS NZ :NH3+ 172:sc= 1.33 (180deg=1.26) USER MOD Single : A 115 GLN : amide:sc= 0.0721 K(o=0.072,f=-0.48) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 136:sc= -0.0548 (180deg=-0.309) USER MOD Single : A 126 HIS : no HD1:sc= -0.0714 X(o=-0.071,f=0) USER MOD Single : A 127 HIS :FLIP no HD1:sc= -0.642 F(o=-1.6!,f=-0.64) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.146 -10.238 16.483 1.00 62.41 N ATOM 2 CA MET A 1 3.917 -9.967 15.257 1.00 21.10 C ATOM 3 C MET A 1 5.137 -10.879 15.185 1.00 30.13 C ATOM 4 O MET A 1 5.855 -11.054 16.171 1.00 43.50 O ATOM 5 CB MET A 1 4.363 -8.502 15.239 1.00 63.23 C ATOM 6 CG MET A 1 5.160 -8.120 14.009 1.00 34.00 C ATOM 7 SD MET A 1 5.973 -6.519 14.169 1.00 5.34 S ATOM 8 CE MET A 1 4.689 -5.432 13.578 1.00 14.45 C ATOM 0 H1 MET A 1 2.318 -9.610 16.518 1.00 62.41 H new ATOM 0 H2 MET A 1 2.829 -11.229 16.482 1.00 62.41 H new ATOM 0 H3 MET A 1 3.746 -10.067 17.315 1.00 62.41 H new ATOM 0 HA MET A 1 3.282 -10.162 14.393 1.00 21.10 H new ATOM 0 HB2 MET A 1 3.482 -7.863 15.302 1.00 63.23 H new ATOM 0 HB3 MET A 1 4.965 -8.304 16.126 1.00 63.23 H new ATOM 0 HG2 MET A 1 5.911 -8.886 13.817 1.00 34.00 H new ATOM 0 HG3 MET A 1 4.497 -8.100 13.144 1.00 34.00 H new ATOM 0 HE1 MET A 1 4.839 -4.434 13.991 1.00 14.45 H new ATOM 0 HE2 MET A 1 4.725 -5.384 12.490 1.00 14.45 H new ATOM 0 HE3 MET A 1 3.717 -5.813 13.892 1.00 14.45 H new ATOM 20 N LYS A 2 5.359 -11.461 14.012 1.00 41.21 N ATOM 21 CA LYS A 2 6.566 -12.217 13.736 1.00 2.12 C ATOM 22 C LYS A 2 7.130 -11.762 12.393 1.00 71.42 C ATOM 23 O LYS A 2 6.491 -10.961 11.707 1.00 43.32 O ATOM 24 CB LYS A 2 6.268 -13.724 13.744 1.00 11.40 C ATOM 25 CG LYS A 2 5.225 -14.175 12.731 1.00 1.52 C ATOM 26 CD LYS A 2 5.148 -15.685 12.669 1.00 40.12 C ATOM 27 CE LYS A 2 3.991 -16.156 11.816 1.00 50.33 C ATOM 28 NZ LYS A 2 2.688 -15.877 12.465 1.00 14.54 N ATOM 0 H LYS A 2 4.706 -11.420 13.229 1.00 41.21 H new ATOM 0 HA LYS A 2 7.310 -12.034 14.512 1.00 2.12 H new ATOM 0 HB2 LYS A 2 7.195 -14.264 13.554 1.00 11.40 H new ATOM 0 HB3 LYS A 2 5.932 -14.008 14.741 1.00 11.40 H new ATOM 0 HG2 LYS A 2 4.251 -13.768 13.001 1.00 1.52 H new ATOM 0 HG3 LYS A 2 5.474 -13.779 11.746 1.00 1.52 H new ATOM 0 HD2 LYS A 2 6.081 -16.080 12.266 1.00 40.12 H new ATOM 0 HD3 LYS A 2 5.042 -16.085 13.677 1.00 40.12 H new ATOM 0 HE2 LYS A 2 4.028 -15.661 10.845 1.00 50.33 H new ATOM 0 HE3 LYS A 2 4.085 -17.226 11.632 1.00 50.33 H new ATOM 0 HZ1 LYS A 2 1.938 -16.413 11.983 1.00 14.54 H new ATOM 0 HZ2 LYS A 2 2.730 -16.163 13.464 1.00 14.54 H new ATOM 0 HZ3 LYS A 2 2.481 -14.860 12.404 1.00 14.54 H new ATOM 42 N ASP A 3 8.321 -12.231 12.024 1.00 4.31 N ATOM 43 CA ASP A 3 8.898 -11.882 10.725 1.00 34.32 C ATOM 44 C ASP A 3 8.133 -12.563 9.580 1.00 10.44 C ATOM 45 O ASP A 3 7.736 -13.731 9.662 1.00 41.24 O ATOM 46 CB ASP A 3 10.414 -12.182 10.658 1.00 51.44 C ATOM 47 CG ASP A 3 10.770 -13.652 10.522 1.00 44.20 C ATOM 48 OD1 ASP A 3 10.911 -14.339 11.547 1.00 43.25 O ATOM 49 OD2 ASP A 3 10.952 -14.111 9.372 1.00 20.45 O ATOM 0 H ASP A 3 8.899 -12.846 12.597 1.00 4.31 H new ATOM 0 HA ASP A 3 8.790 -10.804 10.603 1.00 34.32 H new ATOM 0 HB2 ASP A 3 10.840 -11.641 9.813 1.00 51.44 H new ATOM 0 HB3 ASP A 3 10.887 -11.790 11.559 1.00 51.44 H new ATOM 54 N GLY A 4 7.886 -11.776 8.556 1.00 2.02 N ATOM 55 CA GLY A 4 7.176 -12.218 7.376 1.00 32.13 C ATOM 56 C GLY A 4 6.739 -11.021 6.569 1.00 10.43 C ATOM 57 O GLY A 4 6.837 -9.893 7.046 1.00 61.34 O ATOM 0 H GLY A 4 8.176 -10.799 8.519 1.00 2.02 H new ATOM 0 HA2 GLY A 4 7.817 -12.861 6.773 1.00 32.13 H new ATOM 0 HA3 GLY A 4 6.308 -12.812 7.663 1.00 32.13 H new ATOM 61 N THR A 5 6.276 -11.233 5.350 1.00 73.13 N ATOM 62 CA THR A 5 5.822 -10.129 4.527 1.00 3.53 C ATOM 63 C THR A 5 4.310 -10.240 4.320 1.00 53.53 C ATOM 64 O THR A 5 3.814 -11.100 3.580 1.00 55.11 O ATOM 65 CB THR A 5 6.584 -10.070 3.189 1.00 35.21 C ATOM 66 OG1 THR A 5 7.941 -10.467 3.400 1.00 42.42 O ATOM 67 CG2 THR A 5 6.600 -8.665 2.621 1.00 75.44 C ATOM 0 H THR A 5 6.205 -12.151 4.912 1.00 73.13 H new ATOM 0 HA THR A 5 6.035 -9.191 5.041 1.00 3.53 H new ATOM 0 HB THR A 5 6.077 -10.736 2.490 1.00 35.21 H new ATOM 0 HG1 THR A 5 8.535 -9.897 2.869 1.00 42.42 H new ATOM 0 HG21 THR A 5 7.146 -8.660 1.677 1.00 75.44 H new ATOM 0 HG22 THR A 5 5.577 -8.330 2.450 1.00 75.44 H new ATOM 0 HG23 THR A 5 7.089 -7.993 3.326 1.00 75.44 H new ATOM 75 N TYR A 6 3.614 -9.353 5.016 1.00 45.22 N ATOM 76 CA TYR A 6 2.166 -9.380 5.182 1.00 24.14 C ATOM 77 C TYR A 6 1.504 -8.517 4.141 1.00 74.35 C ATOM 78 O TYR A 6 1.700 -7.315 4.116 1.00 73.24 O ATOM 79 CB TYR A 6 1.788 -8.826 6.574 1.00 71.42 C ATOM 80 CG TYR A 6 2.361 -9.562 7.764 1.00 41.43 C ATOM 81 CD1 TYR A 6 3.702 -9.467 8.115 1.00 23.30 C ATOM 82 CD2 TYR A 6 1.548 -10.356 8.541 1.00 73.34 C ATOM 83 CE1 TYR A 6 4.205 -10.152 9.196 1.00 31.41 C ATOM 84 CE2 TYR A 6 2.046 -11.041 9.615 1.00 24.14 C ATOM 85 CZ TYR A 6 3.368 -10.939 9.943 1.00 31.41 C ATOM 86 OH TYR A 6 3.857 -11.641 11.011 1.00 33.22 O ATOM 0 H TYR A 6 4.055 -8.569 5.497 1.00 45.22 H new ATOM 0 HA TYR A 6 1.830 -10.412 5.078 1.00 24.14 H new ATOM 0 HB2 TYR A 6 2.109 -7.786 6.627 1.00 71.42 H new ATOM 0 HB3 TYR A 6 0.701 -8.829 6.660 1.00 71.42 H new ATOM 0 HD1 TYR A 6 4.361 -8.844 7.528 1.00 23.30 H new ATOM 0 HD2 TYR A 6 0.499 -10.439 8.298 1.00 73.34 H new ATOM 0 HE1 TYR A 6 5.251 -10.070 9.454 1.00 31.41 H new ATOM 0 HE2 TYR A 6 1.392 -11.665 10.206 1.00 24.14 H new ATOM 0 HH TYR A 6 4.776 -11.355 11.197 1.00 33.22 H new ATOM 96 N TYR A 7 0.694 -9.116 3.315 1.00 70.01 N ATOM 97 CA TYR A 7 0.061 -8.385 2.246 1.00 53.32 C ATOM 98 C TYR A 7 -1.434 -8.238 2.534 1.00 14.24 C ATOM 99 O TYR A 7 -2.068 -9.164 3.043 1.00 70.14 O ATOM 100 CB TYR A 7 0.376 -9.096 0.907 1.00 63.55 C ATOM 101 CG TYR A 7 -0.805 -9.453 0.035 1.00 51.32 C ATOM 102 CD1 TYR A 7 -1.290 -8.569 -0.912 1.00 63.24 C ATOM 103 CD2 TYR A 7 -1.427 -10.679 0.173 1.00 52.01 C ATOM 104 CE1 TYR A 7 -2.374 -8.897 -1.698 1.00 72.34 C ATOM 105 CE2 TYR A 7 -2.511 -11.018 -0.610 1.00 20.23 C ATOM 106 CZ TYR A 7 -2.981 -10.119 -1.545 1.00 54.11 C ATOM 107 OH TYR A 7 -4.068 -10.443 -2.320 1.00 51.34 O ATOM 0 H TYR A 7 0.454 -10.107 3.358 1.00 70.01 H new ATOM 0 HA TYR A 7 0.451 -7.370 2.170 1.00 53.32 H new ATOM 0 HB2 TYR A 7 1.044 -8.456 0.330 1.00 63.55 H new ATOM 0 HB3 TYR A 7 0.925 -10.011 1.128 1.00 63.55 H new ATOM 0 HD1 TYR A 7 -0.813 -7.608 -1.037 1.00 63.24 H new ATOM 0 HD2 TYR A 7 -1.059 -11.383 0.905 1.00 52.01 H new ATOM 0 HE1 TYR A 7 -2.744 -8.196 -2.431 1.00 72.34 H new ATOM 0 HE2 TYR A 7 -2.988 -11.980 -0.492 1.00 20.23 H new ATOM 0 HH TYR A 7 -4.378 -11.343 -2.088 1.00 51.34 H new ATOM 117 N ALA A 8 -1.980 -7.071 2.230 1.00 1.21 N ATOM 118 CA ALA A 8 -3.414 -6.856 2.319 1.00 61.44 C ATOM 119 C ALA A 8 -3.895 -6.113 1.089 1.00 12.23 C ATOM 120 O ALA A 8 -3.144 -5.332 0.526 1.00 61.51 O ATOM 121 CB ALA A 8 -3.756 -6.081 3.569 1.00 70.42 C ATOM 0 H ALA A 8 -1.450 -6.257 1.919 1.00 1.21 H new ATOM 0 HA ALA A 8 -3.915 -7.823 2.370 1.00 61.44 H new ATOM 0 HB1 ALA A 8 -4.834 -5.929 3.619 1.00 70.42 H new ATOM 0 HB2 ALA A 8 -3.427 -6.640 4.445 1.00 70.42 H new ATOM 0 HB3 ALA A 8 -3.254 -5.114 3.546 1.00 70.42 H new ATOM 127 N GLU A 9 -5.145 -6.329 0.697 1.00 1.03 N ATOM 128 CA GLU A 9 -5.701 -5.690 -0.496 1.00 34.41 C ATOM 129 C GLU A 9 -6.830 -4.736 -0.108 1.00 55.44 C ATOM 130 O GLU A 9 -7.534 -4.982 0.881 1.00 13.01 O ATOM 131 CB GLU A 9 -6.182 -6.746 -1.500 1.00 15.31 C ATOM 132 CG GLU A 9 -7.413 -7.527 -1.064 1.00 4.15 C ATOM 133 CD GLU A 9 -7.923 -8.471 -2.126 1.00 72.43 C ATOM 134 OE1 GLU A 9 -8.262 -8.009 -3.229 1.00 23.23 O ATOM 135 OE2 GLU A 9 -7.997 -9.681 -1.858 1.00 61.21 O ATOM 0 H GLU A 9 -5.796 -6.942 1.187 1.00 1.03 H new ATOM 0 HA GLU A 9 -4.918 -5.107 -0.980 1.00 34.41 H new ATOM 0 HB2 GLU A 9 -6.398 -6.254 -2.448 1.00 15.31 H new ATOM 0 HB3 GLU A 9 -5.369 -7.449 -1.684 1.00 15.31 H new ATOM 0 HG2 GLU A 9 -7.175 -8.096 -0.165 1.00 4.15 H new ATOM 0 HG3 GLU A 9 -8.205 -6.827 -0.798 1.00 4.15 H new ATOM 142 N ALA A 10 -6.944 -3.620 -0.854 1.00 1.30 N ATOM 143 CA ALA A 10 -7.889 -2.523 -0.546 1.00 40.01 C ATOM 144 C ALA A 10 -9.359 -2.977 -0.476 1.00 42.40 C ATOM 145 O ALA A 10 -9.706 -4.088 -0.905 1.00 61.55 O ATOM 146 CB ALA A 10 -7.714 -1.385 -1.559 1.00 25.35 C ATOM 0 H ALA A 10 -6.383 -3.451 -1.689 1.00 1.30 H new ATOM 0 HA ALA A 10 -7.644 -2.166 0.454 1.00 40.01 H new ATOM 0 HB1 ALA A 10 -8.412 -0.581 -1.327 1.00 25.35 H new ATOM 0 HB2 ALA A 10 -6.693 -1.006 -1.507 1.00 25.35 H new ATOM 0 HB3 ALA A 10 -7.912 -1.759 -2.564 1.00 25.35 H new ATOM 152 N ASP A 11 -10.213 -2.116 0.090 1.00 4.53 N ATOM 153 CA ASP A 11 -11.638 -2.421 0.290 1.00 50.32 C ATOM 154 C ASP A 11 -12.350 -2.650 -1.043 1.00 3.23 C ATOM 155 O ASP A 11 -13.036 -3.657 -1.228 1.00 23.11 O ATOM 156 CB ASP A 11 -12.315 -1.288 1.074 1.00 63.12 C ATOM 157 CG ASP A 11 -13.767 -1.581 1.402 1.00 30.15 C ATOM 158 OD1 ASP A 11 -14.033 -2.512 2.185 1.00 63.34 O ATOM 159 OD2 ASP A 11 -14.649 -0.882 0.873 1.00 4.34 O ATOM 0 H ASP A 11 -9.939 -1.191 0.422 1.00 4.53 H new ATOM 0 HA ASP A 11 -11.710 -3.343 0.867 1.00 50.32 H new ATOM 0 HB2 ASP A 11 -11.766 -1.116 2.000 1.00 63.12 H new ATOM 0 HB3 ASP A 11 -12.258 -0.367 0.494 1.00 63.12 H new ATOM 164 N ASP A 12 -12.144 -1.737 -1.973 1.00 3.25 N ATOM 165 CA ASP A 12 -12.638 -1.901 -3.327 1.00 3.54 C ATOM 166 C ASP A 12 -11.536 -1.486 -4.292 1.00 13.13 C ATOM 167 O ASP A 12 -10.490 -0.988 -3.854 1.00 23.50 O ATOM 168 CB ASP A 12 -13.913 -1.069 -3.540 1.00 50.20 C ATOM 169 CG ASP A 12 -14.795 -1.620 -4.640 1.00 52.25 C ATOM 170 OD1 ASP A 12 -15.443 -2.660 -4.420 1.00 25.53 O ATOM 171 OD2 ASP A 12 -14.843 -1.022 -5.729 1.00 31.40 O ATOM 0 H ASP A 12 -11.634 -0.868 -1.814 1.00 3.25 H new ATOM 0 HA ASP A 12 -12.902 -2.943 -3.508 1.00 3.54 H new ATOM 0 HB2 ASP A 12 -14.479 -1.035 -2.609 1.00 50.20 H new ATOM 0 HB3 ASP A 12 -13.636 -0.043 -3.782 1.00 50.20 H new ATOM 176 N PHE A 13 -11.738 -1.716 -5.586 1.00 20.20 N ATOM 177 CA PHE A 13 -10.781 -1.295 -6.599 1.00 73.22 C ATOM 178 C PHE A 13 -10.791 0.222 -6.710 1.00 40.13 C ATOM 179 O PHE A 13 -11.855 0.849 -6.634 1.00 23.45 O ATOM 180 CB PHE A 13 -11.099 -1.931 -7.960 1.00 23.21 C ATOM 181 CG PHE A 13 -10.831 -3.410 -8.019 1.00 52.54 C ATOM 182 CD1 PHE A 13 -9.574 -3.881 -8.355 1.00 34.12 C ATOM 183 CD2 PHE A 13 -11.826 -4.325 -7.726 1.00 74.02 C ATOM 184 CE1 PHE A 13 -9.314 -5.236 -8.400 1.00 60.41 C ATOM 185 CE2 PHE A 13 -11.572 -5.681 -7.771 1.00 70.43 C ATOM 186 CZ PHE A 13 -10.314 -6.136 -8.105 1.00 0.44 C ATOM 0 H PHE A 13 -12.560 -2.194 -5.957 1.00 20.20 H new ATOM 0 HA PHE A 13 -9.788 -1.630 -6.299 1.00 73.22 H new ATOM 0 HB2 PHE A 13 -12.148 -1.752 -8.198 1.00 23.21 H new ATOM 0 HB3 PHE A 13 -10.508 -1.434 -8.729 1.00 23.21 H new ATOM 0 HD1 PHE A 13 -8.786 -3.179 -8.585 1.00 34.12 H new ATOM 0 HD2 PHE A 13 -12.812 -3.975 -7.459 1.00 74.02 H new ATOM 0 HE1 PHE A 13 -8.329 -5.590 -8.666 1.00 60.41 H new ATOM 0 HE2 PHE A 13 -12.359 -6.386 -7.545 1.00 70.43 H new ATOM 0 HZ PHE A 13 -10.113 -7.197 -8.135 1.00 0.44 H new ATOM 196 N ASP A 14 -9.606 0.804 -6.876 1.00 62.14 N ATOM 197 CA ASP A 14 -9.445 2.257 -6.944 1.00 15.43 C ATOM 198 C ASP A 14 -9.901 2.776 -8.319 1.00 13.45 C ATOM 199 O ASP A 14 -10.482 2.021 -9.102 1.00 15.13 O ATOM 200 CB ASP A 14 -7.976 2.623 -6.664 1.00 42.31 C ATOM 201 CG ASP A 14 -7.810 3.988 -6.020 1.00 60.23 C ATOM 202 OD1 ASP A 14 -7.981 4.087 -4.788 1.00 24.15 O ATOM 203 OD2 ASP A 14 -7.497 4.956 -6.734 1.00 20.53 O ATOM 0 H ASP A 14 -8.732 0.285 -6.967 1.00 62.14 H new ATOM 0 HA ASP A 14 -10.068 2.733 -6.187 1.00 15.43 H new ATOM 0 HB2 ASP A 14 -7.538 1.866 -6.013 1.00 42.31 H new ATOM 0 HB3 ASP A 14 -7.418 2.600 -7.600 1.00 42.31 H new ATOM 208 N GLU A 15 -9.619 4.047 -8.607 1.00 13.33 N ATOM 209 CA GLU A 15 -10.136 4.749 -9.785 1.00 32.14 C ATOM 210 C GLU A 15 -9.724 4.070 -11.090 1.00 43.41 C ATOM 211 O GLU A 15 -10.547 3.874 -11.972 1.00 12.32 O ATOM 212 CB GLU A 15 -9.644 6.200 -9.770 1.00 22.31 C ATOM 213 CG GLU A 15 -9.870 6.918 -8.443 1.00 75.42 C ATOM 214 CD GLU A 15 -11.334 7.089 -8.082 1.00 24.40 C ATOM 215 OE1 GLU A 15 -11.932 6.161 -7.500 1.00 33.21 O ATOM 216 OE2 GLU A 15 -11.887 8.168 -8.357 1.00 43.10 O ATOM 0 H GLU A 15 -9.017 4.627 -8.022 1.00 13.33 H new ATOM 0 HA GLU A 15 -11.225 4.722 -9.738 1.00 32.14 H new ATOM 0 HB2 GLU A 15 -8.579 6.214 -10.002 1.00 22.31 H new ATOM 0 HB3 GLU A 15 -10.150 6.753 -10.561 1.00 22.31 H new ATOM 0 HG2 GLU A 15 -9.372 6.361 -7.649 1.00 75.42 H new ATOM 0 HG3 GLU A 15 -9.399 7.900 -8.487 1.00 75.42 H new ATOM 223 N SER A 16 -8.467 3.636 -11.155 1.00 61.33 N ATOM 224 CA SER A 16 -7.910 2.983 -12.340 1.00 13.13 C ATOM 225 C SER A 16 -8.194 1.476 -12.397 1.00 74.42 C ATOM 226 O SER A 16 -7.719 0.782 -13.311 1.00 41.51 O ATOM 227 CB SER A 16 -6.416 3.223 -12.362 1.00 12.13 C ATOM 228 OG SER A 16 -5.867 3.042 -11.061 1.00 43.21 O ATOM 0 H SER A 16 -7.803 3.727 -10.386 1.00 61.33 H new ATOM 0 HA SER A 16 -8.396 3.418 -13.214 1.00 13.13 H new ATOM 0 HB2 SER A 16 -5.941 2.537 -13.063 1.00 12.13 H new ATOM 0 HB3 SER A 16 -6.208 4.233 -12.714 1.00 12.13 H new ATOM 0 HG SER A 16 -4.909 2.849 -11.134 1.00 43.21 H new ATOM 234 N GLY A 17 -8.978 0.980 -11.435 1.00 52.55 N ATOM 235 CA GLY A 17 -9.311 -0.428 -11.376 1.00 21.51 C ATOM 236 C GLY A 17 -8.207 -1.257 -10.768 1.00 61.32 C ATOM 237 O GLY A 17 -8.054 -2.423 -11.098 1.00 63.22 O ATOM 0 H GLY A 17 -9.390 1.542 -10.690 1.00 52.55 H new ATOM 0 HA2 GLY A 17 -10.222 -0.558 -10.793 1.00 21.51 H new ATOM 0 HA3 GLY A 17 -9.522 -0.791 -12.382 1.00 21.51 H new ATOM 241 N TRP A 18 -7.420 -0.647 -9.892 1.00 62.44 N ATOM 242 CA TRP A 18 -6.332 -1.346 -9.230 1.00 12.34 C ATOM 243 C TRP A 18 -6.633 -1.518 -7.758 1.00 40.33 C ATOM 244 O TRP A 18 -7.021 -0.579 -7.069 1.00 74.00 O ATOM 245 CB TRP A 18 -4.999 -0.612 -9.409 1.00 24.51 C ATOM 246 CG TRP A 18 -4.454 -0.645 -10.809 1.00 35.13 C ATOM 247 CD1 TRP A 18 -4.728 0.232 -11.807 1.00 45.41 C ATOM 248 CD2 TRP A 18 -3.529 -1.587 -11.360 1.00 61.30 C ATOM 249 NE1 TRP A 18 -4.043 -0.100 -12.940 1.00 64.11 N ATOM 250 CE2 TRP A 18 -3.297 -1.211 -12.693 1.00 24.55 C ATOM 251 CE3 TRP A 18 -2.876 -2.704 -10.863 1.00 4.44 C ATOM 252 CZ2 TRP A 18 -2.445 -1.914 -13.528 1.00 22.14 C ATOM 253 CZ3 TRP A 18 -2.025 -3.401 -11.692 1.00 42.42 C ATOM 254 CH2 TRP A 18 -1.819 -3.004 -13.012 1.00 64.13 C ATOM 0 H TRP A 18 -7.517 0.332 -9.624 1.00 62.44 H new ATOM 0 HA TRP A 18 -6.242 -2.328 -9.695 1.00 12.34 H new ATOM 0 HB2 TRP A 18 -5.127 0.427 -9.107 1.00 24.51 H new ATOM 0 HB3 TRP A 18 -4.263 -1.051 -8.735 1.00 24.51 H new ATOM 0 HD1 TRP A 18 -5.396 1.076 -11.717 1.00 45.41 H new ATOM 0 HE1 TRP A 18 -4.084 0.402 -13.827 1.00 64.11 H new ATOM 0 HE3 TRP A 18 -3.032 -3.023 -9.843 1.00 4.44 H new ATOM 0 HZ2 TRP A 18 -2.284 -1.607 -14.551 1.00 22.14 H new ATOM 0 HZ3 TRP A 18 -1.508 -4.270 -11.313 1.00 42.42 H new ATOM 0 HH2 TRP A 18 -1.148 -3.574 -13.637 1.00 64.13 H new ATOM 265 N LYS A 19 -6.474 -2.735 -7.292 1.00 31.44 N ATOM 266 CA LYS A 19 -6.604 -3.055 -5.897 1.00 15.25 C ATOM 267 C LYS A 19 -5.246 -2.885 -5.264 1.00 64.25 C ATOM 268 O LYS A 19 -4.401 -3.767 -5.363 1.00 71.05 O ATOM 269 CB LYS A 19 -7.088 -4.499 -5.711 1.00 51.45 C ATOM 270 CG LYS A 19 -7.545 -4.794 -4.303 1.00 75.23 C ATOM 271 CD LYS A 19 -8.800 -4.017 -3.980 1.00 62.43 C ATOM 272 CE LYS A 19 -10.054 -4.794 -4.311 1.00 12.34 C ATOM 273 NZ LYS A 19 -10.300 -5.872 -3.327 1.00 4.00 N ATOM 0 H LYS A 19 -6.248 -3.537 -7.881 1.00 31.44 H new ATOM 0 HA LYS A 19 -7.337 -2.397 -5.431 1.00 15.25 H new ATOM 0 HB2 LYS A 19 -7.909 -4.692 -6.401 1.00 51.45 H new ATOM 0 HB3 LYS A 19 -6.282 -5.183 -5.976 1.00 51.45 H new ATOM 0 HG2 LYS A 19 -7.733 -5.862 -4.192 1.00 75.23 H new ATOM 0 HG3 LYS A 19 -6.757 -4.533 -3.596 1.00 75.23 H new ATOM 0 HD2 LYS A 19 -8.803 -3.759 -2.921 1.00 62.43 H new ATOM 0 HD3 LYS A 19 -8.798 -3.080 -4.536 1.00 62.43 H new ATOM 0 HE2 LYS A 19 -10.908 -4.117 -4.332 1.00 12.34 H new ATOM 0 HE3 LYS A 19 -9.964 -5.224 -5.309 1.00 12.34 H new ATOM 0 HZ1 LYS A 19 -11.247 -6.274 -3.481 1.00 4.00 H new ATOM 0 HZ2 LYS A 19 -9.585 -6.618 -3.443 1.00 4.00 H new ATOM 0 HZ3 LYS A 19 -10.242 -5.483 -2.364 1.00 4.00 H new ATOM 287 N ASP A 20 -5.029 -1.737 -4.661 1.00 5.34 N ATOM 288 CA ASP A 20 -3.726 -1.412 -4.128 1.00 74.33 C ATOM 289 C ASP A 20 -3.454 -2.159 -2.856 1.00 1.22 C ATOM 290 O ASP A 20 -4.263 -2.174 -1.920 1.00 45.40 O ATOM 291 CB ASP A 20 -3.592 0.072 -3.938 1.00 23.11 C ATOM 292 CG ASP A 20 -3.245 0.742 -5.240 1.00 43.34 C ATOM 293 OD1 ASP A 20 -2.067 0.675 -5.627 1.00 61.55 O ATOM 294 OD2 ASP A 20 -4.154 1.318 -5.877 1.00 50.14 O ATOM 0 H ASP A 20 -5.737 -1.015 -4.528 1.00 5.34 H new ATOM 0 HA ASP A 20 -2.973 -1.728 -4.850 1.00 74.33 H new ATOM 0 HB2 ASP A 20 -4.525 0.480 -3.550 1.00 23.11 H new ATOM 0 HB3 ASP A 20 -2.820 0.281 -3.198 1.00 23.11 H new ATOM 299 N THR A 21 -2.310 -2.810 -2.853 1.00 44.41 N ATOM 300 CA THR A 21 -1.951 -3.715 -1.797 1.00 72.01 C ATOM 301 C THR A 21 -0.669 -3.257 -1.136 1.00 52.44 C ATOM 302 O THR A 21 0.269 -2.793 -1.797 1.00 51.52 O ATOM 303 CB THR A 21 -1.798 -5.181 -2.295 1.00 73.25 C ATOM 304 OG1 THR A 21 -0.706 -5.297 -3.188 1.00 61.44 O ATOM 305 CG2 THR A 21 -3.048 -5.671 -3.001 1.00 33.11 C ATOM 0 H THR A 21 -1.606 -2.722 -3.586 1.00 44.41 H new ATOM 0 HA THR A 21 -2.765 -3.704 -1.073 1.00 72.01 H new ATOM 0 HB THR A 21 -1.626 -5.794 -1.410 1.00 73.25 H new ATOM 0 HG1 THR A 21 -0.884 -6.015 -3.831 1.00 61.44 H new ATOM 0 HG21 THR A 21 -2.899 -6.699 -3.333 1.00 33.11 H new ATOM 0 HG22 THR A 21 -3.893 -5.630 -2.314 1.00 33.11 H new ATOM 0 HG23 THR A 21 -3.251 -5.037 -3.864 1.00 33.11 H new ATOM 313 N VAL A 22 -0.636 -3.379 0.170 1.00 33.13 N ATOM 314 CA VAL A 22 0.518 -2.946 0.936 1.00 24.01 C ATOM 315 C VAL A 22 1.131 -4.149 1.627 1.00 21.24 C ATOM 316 O VAL A 22 0.503 -4.788 2.476 1.00 61.21 O ATOM 317 CB VAL A 22 0.151 -1.823 1.949 1.00 35.34 C ATOM 318 CG1 VAL A 22 1.334 -1.436 2.819 1.00 71.54 C ATOM 319 CG2 VAL A 22 -0.354 -0.584 1.216 1.00 31.54 C ATOM 0 H VAL A 22 -1.393 -3.774 0.728 1.00 33.13 H new ATOM 0 HA VAL A 22 1.253 -2.512 0.258 1.00 24.01 H new ATOM 0 HB VAL A 22 -0.635 -2.220 2.591 1.00 35.34 H new ATOM 0 HG11 VAL A 22 1.034 -0.649 3.512 1.00 71.54 H new ATOM 0 HG12 VAL A 22 1.672 -2.306 3.382 1.00 71.54 H new ATOM 0 HG13 VAL A 22 2.146 -1.074 2.189 1.00 71.54 H new ATOM 0 HG21 VAL A 22 -0.606 0.190 1.941 1.00 31.54 H new ATOM 0 HG22 VAL A 22 0.423 -0.215 0.546 1.00 31.54 H new ATOM 0 HG23 VAL A 22 -1.241 -0.840 0.636 1.00 31.54 H new ATOM 329 N THR A 23 2.343 -4.478 1.207 1.00 62.41 N ATOM 330 CA THR A 23 3.027 -5.648 1.702 1.00 3.23 C ATOM 331 C THR A 23 4.094 -5.240 2.725 1.00 73.11 C ATOM 332 O THR A 23 5.126 -4.688 2.376 1.00 1.30 O ATOM 333 CB THR A 23 3.676 -6.432 0.542 1.00 34.52 C ATOM 334 OG1 THR A 23 2.918 -6.268 -0.669 1.00 51.21 O ATOM 335 CG2 THR A 23 3.729 -7.897 0.882 1.00 42.03 C ATOM 0 H THR A 23 2.871 -3.942 0.519 1.00 62.41 H new ATOM 0 HA THR A 23 2.297 -6.295 2.188 1.00 3.23 H new ATOM 0 HB THR A 23 4.684 -6.044 0.392 1.00 34.52 H new ATOM 0 HG1 THR A 23 3.346 -6.771 -1.393 1.00 51.21 H new ATOM 0 HG21 THR A 23 4.188 -8.445 0.059 1.00 42.03 H new ATOM 0 HG22 THR A 23 4.319 -8.039 1.787 1.00 42.03 H new ATOM 0 HG23 THR A 23 2.718 -8.269 1.046 1.00 42.03 H new ATOM 343 N ILE A 24 3.840 -5.549 3.979 1.00 70.13 N ATOM 344 CA ILE A 24 4.670 -5.109 5.092 1.00 41.25 C ATOM 345 C ILE A 24 5.706 -6.165 5.438 1.00 1.45 C ATOM 346 O ILE A 24 5.348 -7.259 5.858 1.00 53.51 O ATOM 347 CB ILE A 24 3.785 -4.830 6.342 1.00 2.01 C ATOM 348 CG1 ILE A 24 2.739 -3.754 6.020 1.00 10.33 C ATOM 349 CG2 ILE A 24 4.622 -4.433 7.563 1.00 22.14 C ATOM 350 CD1 ILE A 24 3.312 -2.365 5.783 1.00 45.50 C ATOM 0 H ILE A 24 3.043 -6.119 4.263 1.00 70.13 H new ATOM 0 HA ILE A 24 5.181 -4.194 4.794 1.00 41.25 H new ATOM 0 HB ILE A 24 3.271 -5.756 6.598 1.00 2.01 H new ATOM 0 HG12 ILE A 24 2.183 -4.060 5.133 1.00 10.33 H new ATOM 0 HG13 ILE A 24 2.025 -3.703 6.842 1.00 10.33 H new ATOM 0 HG21 ILE A 24 3.963 -4.248 8.411 1.00 22.14 H new ATOM 0 HG22 ILE A 24 5.312 -5.240 7.809 1.00 22.14 H new ATOM 0 HG23 ILE A 24 5.187 -3.528 7.338 1.00 22.14 H new ATOM 0 HD11 ILE A 24 2.502 -1.670 5.562 1.00 45.50 H new ATOM 0 HD12 ILE A 24 3.842 -2.033 6.676 1.00 45.50 H new ATOM 0 HD13 ILE A 24 4.003 -2.395 4.941 1.00 45.50 H new ATOM 362 N GLU A 25 6.982 -5.837 5.300 1.00 64.11 N ATOM 363 CA GLU A 25 8.015 -6.772 5.685 1.00 42.41 C ATOM 364 C GLU A 25 8.460 -6.513 7.115 1.00 23.14 C ATOM 365 O GLU A 25 9.077 -5.492 7.443 1.00 74.14 O ATOM 366 CB GLU A 25 9.220 -6.769 4.733 1.00 41.33 C ATOM 367 CG GLU A 25 10.360 -7.640 5.249 1.00 24.15 C ATOM 368 CD GLU A 25 11.441 -7.916 4.252 1.00 1.22 C ATOM 369 OE1 GLU A 25 12.193 -6.981 3.904 1.00 23.13 O ATOM 370 OE2 GLU A 25 11.596 -9.095 3.871 1.00 71.11 O ATOM 0 H GLU A 25 7.318 -4.947 4.931 1.00 64.11 H new ATOM 0 HA GLU A 25 7.574 -7.767 5.619 1.00 42.41 H new ATOM 0 HB2 GLU A 25 8.907 -7.126 3.752 1.00 41.33 H new ATOM 0 HB3 GLU A 25 9.576 -5.747 4.602 1.00 41.33 H new ATOM 0 HG2 GLU A 25 10.803 -7.156 6.119 1.00 24.15 H new ATOM 0 HG3 GLU A 25 9.947 -8.590 5.589 1.00 24.15 H new ATOM 377 N VAL A 26 8.094 -7.455 7.953 1.00 21.05 N ATOM 378 CA VAL A 26 8.558 -7.518 9.312 1.00 62.33 C ATOM 379 C VAL A 26 9.757 -8.454 9.367 1.00 3.21 C ATOM 380 O VAL A 26 9.782 -9.486 8.697 1.00 73.34 O ATOM 381 CB VAL A 26 7.444 -7.998 10.275 1.00 75.02 C ATOM 382 CG1 VAL A 26 7.937 -8.054 11.713 1.00 43.14 C ATOM 383 CG2 VAL A 26 6.224 -7.093 10.173 1.00 22.55 C ATOM 0 H VAL A 26 7.455 -8.209 7.702 1.00 21.05 H new ATOM 0 HA VAL A 26 8.846 -6.519 9.638 1.00 62.33 H new ATOM 0 HB VAL A 26 7.162 -9.008 9.976 1.00 75.02 H new ATOM 0 HG11 VAL A 26 7.130 -8.395 12.361 1.00 43.14 H new ATOM 0 HG12 VAL A 26 8.776 -8.747 11.783 1.00 43.14 H new ATOM 0 HG13 VAL A 26 8.259 -7.061 12.026 1.00 43.14 H new ATOM 0 HG21 VAL A 26 5.451 -7.445 10.856 1.00 22.55 H new ATOM 0 HG22 VAL A 26 6.504 -6.073 10.437 1.00 22.55 H new ATOM 0 HG23 VAL A 26 5.841 -7.112 9.152 1.00 22.55 H new ATOM 393 N LYS A 27 10.752 -8.053 10.128 1.00 2.22 N ATOM 394 CA LYS A 27 11.976 -8.803 10.309 1.00 41.53 C ATOM 395 C LYS A 27 12.610 -8.336 11.601 1.00 73.42 C ATOM 396 O LYS A 27 12.677 -7.131 11.829 1.00 75.44 O ATOM 397 CB LYS A 27 12.901 -8.533 9.133 1.00 44.51 C ATOM 398 CG LYS A 27 14.085 -9.467 8.982 1.00 55.52 C ATOM 399 CD LYS A 27 14.886 -9.094 7.739 1.00 64.03 C ATOM 400 CE LYS A 27 14.018 -9.133 6.487 1.00 73.00 C ATOM 401 NZ LYS A 27 14.622 -8.396 5.352 1.00 72.21 N ATOM 0 H LYS A 27 10.732 -7.177 10.650 1.00 2.22 H new ATOM 0 HA LYS A 27 11.782 -9.875 10.357 1.00 41.53 H new ATOM 0 HB2 LYS A 27 12.312 -8.577 8.217 1.00 44.51 H new ATOM 0 HB3 LYS A 27 13.278 -7.514 9.221 1.00 44.51 H new ATOM 0 HG2 LYS A 27 14.720 -9.408 9.866 1.00 55.52 H new ATOM 0 HG3 LYS A 27 13.739 -10.498 8.906 1.00 55.52 H new ATOM 0 HD2 LYS A 27 15.307 -8.096 7.861 1.00 64.03 H new ATOM 0 HD3 LYS A 27 15.724 -9.781 7.624 1.00 64.03 H new ATOM 0 HE2 LYS A 27 13.854 -10.170 6.196 1.00 73.00 H new ATOM 0 HE3 LYS A 27 13.041 -8.707 6.713 1.00 73.00 H new ATOM 0 HZ1 LYS A 27 13.962 -7.662 5.024 1.00 72.21 H new ATOM 0 HZ2 LYS A 27 15.510 -7.951 5.660 1.00 72.21 H new ATOM 0 HZ3 LYS A 27 14.818 -9.057 4.574 1.00 72.21 H new ATOM 415 N ASN A 28 13.025 -9.289 12.450 1.00 52.01 N ATOM 416 CA ASN A 28 13.615 -9.013 13.784 1.00 1.14 C ATOM 417 C ASN A 28 12.564 -8.446 14.755 1.00 32.23 C ATOM 418 O ASN A 28 12.901 -7.720 15.697 1.00 74.14 O ATOM 419 CB ASN A 28 14.823 -8.054 13.703 1.00 61.13 C ATOM 420 CG ASN A 28 16.021 -8.628 12.976 1.00 4.11 C ATOM 421 OD1 ASN A 28 16.836 -9.338 13.560 1.00 3.02 O ATOM 422 ND2 ASN A 28 16.159 -8.280 11.707 1.00 73.54 N ATOM 0 H ASN A 28 12.963 -10.284 12.235 1.00 52.01 H new ATOM 0 HA ASN A 28 13.970 -9.970 14.165 1.00 1.14 H new ATOM 0 HB2 ASN A 28 14.512 -7.137 13.202 1.00 61.13 H new ATOM 0 HB3 ASN A 28 15.123 -7.779 14.714 1.00 61.13 H new ATOM 0 HD21 ASN A 28 16.967 -8.603 11.174 1.00 73.54 H new ATOM 0 HD22 ASN A 28 15.458 -7.689 11.261 1.00 73.54 H new ATOM 429 N GLY A 29 11.294 -8.817 14.531 1.00 14.21 N ATOM 430 CA GLY A 29 10.187 -8.351 15.362 1.00 24.03 C ATOM 431 C GLY A 29 9.747 -6.915 15.099 1.00 63.34 C ATOM 432 O GLY A 29 8.966 -6.365 15.871 1.00 72.54 O ATOM 0 H GLY A 29 11.013 -9.442 13.775 1.00 14.21 H new ATOM 0 HA2 GLY A 29 9.333 -9.011 15.208 1.00 24.03 H new ATOM 0 HA3 GLY A 29 10.475 -8.441 16.409 1.00 24.03 H new ATOM 436 N LYS A 30 10.252 -6.301 14.034 1.00 44.25 N ATOM 437 CA LYS A 30 9.876 -4.929 13.684 1.00 70.12 C ATOM 438 C LYS A 30 9.825 -4.747 12.173 1.00 55.22 C ATOM 439 O LYS A 30 10.331 -5.581 11.440 1.00 23.15 O ATOM 440 CB LYS A 30 10.838 -3.913 14.350 1.00 23.31 C ATOM 441 CG LYS A 30 12.318 -4.324 14.422 1.00 61.24 C ATOM 442 CD LYS A 30 13.074 -4.146 13.108 1.00 10.52 C ATOM 443 CE LYS A 30 13.224 -2.682 12.713 1.00 21.12 C ATOM 444 NZ LYS A 30 13.989 -1.904 13.720 1.00 65.13 N ATOM 0 H LYS A 30 10.923 -6.729 13.396 1.00 44.25 H new ATOM 0 HA LYS A 30 8.874 -4.737 14.068 1.00 70.12 H new ATOM 0 HB2 LYS A 30 10.770 -2.971 13.806 1.00 23.31 H new ATOM 0 HB3 LYS A 30 10.486 -3.722 15.364 1.00 23.31 H new ATOM 0 HG2 LYS A 30 12.811 -3.736 15.196 1.00 61.24 H new ATOM 0 HG3 LYS A 30 12.380 -5.369 14.727 1.00 61.24 H new ATOM 0 HD2 LYS A 30 14.062 -4.598 13.197 1.00 10.52 H new ATOM 0 HD3 LYS A 30 12.550 -4.681 12.316 1.00 10.52 H new ATOM 0 HE2 LYS A 30 13.727 -2.618 11.748 1.00 21.12 H new ATOM 0 HE3 LYS A 30 12.236 -2.238 12.588 1.00 21.12 H new ATOM 0 HZ1 LYS A 30 14.270 -0.990 13.312 1.00 65.13 H new ATOM 0 HZ2 LYS A 30 13.394 -1.741 14.558 1.00 65.13 H new ATOM 0 HZ3 LYS A 30 14.839 -2.436 13.997 1.00 65.13 H new ATOM 458 N ILE A 31 9.219 -3.664 11.700 1.00 44.24 N ATOM 459 CA ILE A 31 9.146 -3.408 10.264 1.00 21.20 C ATOM 460 C ILE A 31 10.495 -2.888 9.757 1.00 11.45 C ATOM 461 O ILE A 31 10.962 -1.839 10.180 1.00 15.25 O ATOM 462 CB ILE A 31 8.032 -2.388 9.910 1.00 34.24 C ATOM 463 CG1 ILE A 31 6.684 -2.827 10.506 1.00 20.10 C ATOM 464 CG2 ILE A 31 7.917 -2.234 8.394 1.00 10.21 C ATOM 465 CD1 ILE A 31 5.567 -1.812 10.330 1.00 35.41 C ATOM 0 H ILE A 31 8.775 -2.954 12.282 1.00 44.24 H new ATOM 0 HA ILE A 31 8.902 -4.352 9.777 1.00 21.20 H new ATOM 0 HB ILE A 31 8.300 -1.423 10.341 1.00 34.24 H new ATOM 0 HG12 ILE A 31 6.383 -3.766 10.042 1.00 20.10 H new ATOM 0 HG13 ILE A 31 6.816 -3.024 11.570 1.00 20.10 H new ATOM 0 HG21 ILE A 31 7.132 -1.515 8.160 1.00 10.21 H new ATOM 0 HG22 ILE A 31 8.866 -1.879 7.991 1.00 10.21 H new ATOM 0 HG23 ILE A 31 7.672 -3.198 7.948 1.00 10.21 H new ATOM 0 HD11 ILE A 31 4.651 -2.198 10.777 1.00 35.41 H new ATOM 0 HD12 ILE A 31 5.844 -0.878 10.818 1.00 35.41 H new ATOM 0 HD13 ILE A 31 5.404 -1.631 9.268 1.00 35.41 H new ATOM 477 N VAL A 32 11.126 -3.638 8.873 1.00 3.20 N ATOM 478 CA VAL A 32 12.394 -3.210 8.298 1.00 35.31 C ATOM 479 C VAL A 32 12.181 -2.535 6.947 1.00 22.12 C ATOM 480 O VAL A 32 12.934 -1.637 6.564 1.00 51.33 O ATOM 481 CB VAL A 32 13.404 -4.380 8.138 1.00 44.13 C ATOM 482 CG1 VAL A 32 13.862 -4.895 9.490 1.00 23.04 C ATOM 483 CG2 VAL A 32 12.822 -5.524 7.312 1.00 74.33 C ATOM 0 H VAL A 32 10.787 -4.540 8.538 1.00 3.20 H new ATOM 0 HA VAL A 32 12.820 -2.495 9.001 1.00 35.31 H new ATOM 0 HB VAL A 32 14.266 -3.983 7.603 1.00 44.13 H new ATOM 0 HG11 VAL A 32 14.568 -5.713 9.348 1.00 23.04 H new ATOM 0 HG12 VAL A 32 14.347 -4.089 10.041 1.00 23.04 H new ATOM 0 HG13 VAL A 32 13.001 -5.253 10.054 1.00 23.04 H new ATOM 0 HG21 VAL A 32 13.560 -6.321 7.224 1.00 74.33 H new ATOM 0 HG22 VAL A 32 11.928 -5.909 7.803 1.00 74.33 H new ATOM 0 HG23 VAL A 32 12.562 -5.159 6.318 1.00 74.33 H new ATOM 493 N SER A 33 11.134 -2.963 6.241 1.00 43.22 N ATOM 494 CA SER A 33 10.923 -2.607 4.846 1.00 22.22 C ATOM 495 C SER A 33 9.453 -2.764 4.486 1.00 25.14 C ATOM 496 O SER A 33 8.676 -3.341 5.248 1.00 14.44 O ATOM 497 CB SER A 33 11.773 -3.494 3.919 1.00 62.04 C ATOM 498 OG SER A 33 13.165 -3.278 4.108 1.00 62.52 O ATOM 0 H SER A 33 10.409 -3.568 6.626 1.00 43.22 H new ATOM 0 HA SER A 33 11.225 -1.568 4.711 1.00 22.22 H new ATOM 0 HB2 SER A 33 11.540 -4.542 4.106 1.00 62.04 H new ATOM 0 HB3 SER A 33 11.512 -3.289 2.881 1.00 62.04 H new ATOM 0 HG SER A 33 13.609 -3.227 3.236 1.00 62.52 H new ATOM 504 N VAL A 34 9.079 -2.230 3.340 1.00 4.10 N ATOM 505 CA VAL A 34 7.727 -2.376 2.817 1.00 2.31 C ATOM 506 C VAL A 34 7.759 -2.400 1.278 1.00 23.25 C ATOM 507 O VAL A 34 8.469 -1.623 0.625 1.00 74.22 O ATOM 508 CB VAL A 34 6.755 -1.282 3.389 1.00 11.31 C ATOM 509 CG1 VAL A 34 7.277 0.105 3.136 1.00 60.45 C ATOM 510 CG2 VAL A 34 5.341 -1.409 2.836 1.00 34.40 C ATOM 0 H VAL A 34 9.699 -1.683 2.743 1.00 4.10 H new ATOM 0 HA VAL A 34 7.324 -3.330 3.155 1.00 2.31 H new ATOM 0 HB VAL A 34 6.710 -1.454 4.464 1.00 11.31 H new ATOM 0 HG11 VAL A 34 6.580 0.836 3.545 1.00 60.45 H new ATOM 0 HG12 VAL A 34 8.248 0.221 3.617 1.00 60.45 H new ATOM 0 HG13 VAL A 34 7.382 0.264 2.063 1.00 60.45 H new ATOM 0 HG21 VAL A 34 4.711 -0.629 3.264 1.00 34.40 H new ATOM 0 HG22 VAL A 34 5.364 -1.303 1.751 1.00 34.40 H new ATOM 0 HG23 VAL A 34 4.935 -2.386 3.096 1.00 34.40 H new ATOM 520 N ASP A 35 7.007 -3.332 0.732 1.00 65.32 N ATOM 521 CA ASP A 35 6.942 -3.587 -0.692 1.00 74.01 C ATOM 522 C ASP A 35 5.563 -3.182 -1.213 1.00 42.20 C ATOM 523 O ASP A 35 4.551 -3.362 -0.527 1.00 51.42 O ATOM 524 CB ASP A 35 7.220 -5.077 -0.949 1.00 14.33 C ATOM 525 CG ASP A 35 7.270 -5.430 -2.419 1.00 15.13 C ATOM 526 OD1 ASP A 35 8.274 -5.097 -3.076 1.00 23.10 O ATOM 527 OD2 ASP A 35 6.307 -6.041 -2.913 1.00 15.25 O ATOM 0 H ASP A 35 6.408 -3.949 1.280 1.00 65.32 H new ATOM 0 HA ASP A 35 7.693 -3.000 -1.220 1.00 74.01 H new ATOM 0 HB2 ASP A 35 8.168 -5.348 -0.485 1.00 14.33 H new ATOM 0 HB3 ASP A 35 6.446 -5.673 -0.465 1.00 14.33 H new ATOM 532 N TRP A 36 5.530 -2.612 -2.401 1.00 12.13 N ATOM 533 CA TRP A 36 4.290 -2.106 -2.974 1.00 63.40 C ATOM 534 C TRP A 36 3.878 -2.899 -4.212 1.00 51.32 C ATOM 535 O TRP A 36 4.722 -3.349 -4.995 1.00 43.14 O ATOM 536 CB TRP A 36 4.385 -0.598 -3.269 1.00 75.23 C ATOM 537 CG TRP A 36 5.777 -0.047 -3.435 1.00 30.52 C ATOM 538 CD1 TRP A 36 6.513 0.592 -2.478 1.00 21.44 C ATOM 539 CD2 TRP A 36 6.596 -0.066 -4.615 1.00 53.13 C ATOM 540 NE1 TRP A 36 7.723 0.972 -2.989 1.00 63.42 N ATOM 541 CE2 TRP A 36 7.800 0.581 -4.294 1.00 22.10 C ATOM 542 CE3 TRP A 36 6.425 -0.561 -5.908 1.00 42.45 C ATOM 543 CZ2 TRP A 36 8.832 0.740 -5.215 1.00 42.14 C ATOM 544 CZ3 TRP A 36 7.450 -0.406 -6.822 1.00 63.20 C ATOM 545 CH2 TRP A 36 8.637 0.244 -6.474 1.00 73.24 C ATOM 0 H TRP A 36 6.350 -2.485 -2.994 1.00 12.13 H new ATOM 0 HA TRP A 36 3.505 -2.244 -2.230 1.00 63.40 H new ATOM 0 HB2 TRP A 36 3.821 -0.389 -4.178 1.00 75.23 H new ATOM 0 HB3 TRP A 36 3.895 -0.057 -2.459 1.00 75.23 H new ATOM 0 HD1 TRP A 36 6.186 0.771 -1.464 1.00 21.44 H new ATOM 0 HE1 TRP A 36 8.452 1.469 -2.476 1.00 63.42 H new ATOM 0 HE3 TRP A 36 5.508 -1.057 -6.190 1.00 42.45 H new ATOM 0 HZ2 TRP A 36 9.752 1.237 -4.945 1.00 42.14 H new ATOM 0 HZ3 TRP A 36 7.331 -0.794 -7.823 1.00 63.20 H new ATOM 0 HH2 TRP A 36 9.416 0.357 -7.214 1.00 73.24 H new ATOM 556 N ASN A 37 2.564 -3.060 -4.368 1.00 61.24 N ATOM 557 CA ASN A 37 1.973 -3.985 -5.335 1.00 32.10 C ATOM 558 C ASN A 37 0.507 -3.566 -5.589 1.00 72.21 C ATOM 559 O ASN A 37 -0.065 -2.858 -4.759 1.00 64.44 O ATOM 560 CB ASN A 37 2.058 -5.405 -4.728 1.00 25.22 C ATOM 561 CG ASN A 37 1.586 -6.519 -5.634 1.00 71.12 C ATOM 562 OD1 ASN A 37 1.849 -6.525 -6.829 1.00 5.22 O ATOM 563 ND2 ASN A 37 0.855 -7.457 -5.060 1.00 34.22 N ATOM 0 H ASN A 37 1.873 -2.547 -3.821 1.00 61.24 H new ATOM 0 HA ASN A 37 2.499 -3.969 -6.290 1.00 32.10 H new ATOM 0 HB2 ASN A 37 3.092 -5.601 -4.445 1.00 25.22 H new ATOM 0 HB3 ASN A 37 1.467 -5.428 -3.812 1.00 25.22 H new ATOM 0 HD21 ASN A 37 0.485 -8.227 -5.617 1.00 34.22 H new ATOM 0 HD22 ASN A 37 0.661 -7.412 -4.060 1.00 34.22 H new ATOM 570 N ALA A 38 -0.093 -3.969 -6.725 1.00 24.45 N ATOM 571 CA ALA A 38 -1.506 -3.659 -7.012 1.00 12.35 C ATOM 572 C ALA A 38 -2.138 -4.679 -7.965 1.00 42.10 C ATOM 573 O ALA A 38 -1.518 -5.100 -8.922 1.00 75.22 O ATOM 574 CB ALA A 38 -1.630 -2.267 -7.599 1.00 14.31 C ATOM 0 H ALA A 38 0.375 -4.506 -7.455 1.00 24.45 H new ATOM 0 HA ALA A 38 -2.045 -3.708 -6.066 1.00 12.35 H new ATOM 0 HB1 ALA A 38 -2.678 -2.051 -7.806 1.00 14.31 H new ATOM 0 HB2 ALA A 38 -1.243 -1.537 -6.888 1.00 14.31 H new ATOM 0 HB3 ALA A 38 -1.058 -2.210 -8.525 1.00 14.31 H new ATOM 580 N ILE A 39 -3.388 -5.042 -7.708 1.00 10.11 N ATOM 581 CA ILE A 39 -4.098 -6.064 -8.492 1.00 13.41 C ATOM 582 C ILE A 39 -5.087 -5.415 -9.462 1.00 75.03 C ATOM 583 O ILE A 39 -6.050 -4.808 -9.033 1.00 31.30 O ATOM 584 CB ILE A 39 -4.896 -7.015 -7.561 1.00 20.33 C ATOM 585 CG1 ILE A 39 -4.015 -7.496 -6.402 1.00 25.14 C ATOM 586 CG2 ILE A 39 -5.466 -8.204 -8.343 1.00 71.41 C ATOM 587 CD1 ILE A 39 -4.766 -8.281 -5.346 1.00 5.22 C ATOM 0 H ILE A 39 -3.944 -4.641 -6.953 1.00 10.11 H new ATOM 0 HA ILE A 39 -3.346 -6.626 -9.046 1.00 13.41 H new ATOM 0 HB ILE A 39 -5.736 -6.457 -7.146 1.00 20.33 H new ATOM 0 HG12 ILE A 39 -3.213 -8.117 -6.801 1.00 25.14 H new ATOM 0 HG13 ILE A 39 -3.545 -6.632 -5.933 1.00 25.14 H new ATOM 0 HG21 ILE A 39 -6.020 -8.853 -7.665 1.00 71.41 H new ATOM 0 HG22 ILE A 39 -6.134 -7.840 -9.123 1.00 71.41 H new ATOM 0 HG23 ILE A 39 -4.650 -8.766 -8.797 1.00 71.41 H new ATOM 0 HD11 ILE A 39 -4.075 -8.586 -4.560 1.00 5.22 H new ATOM 0 HD12 ILE A 39 -5.550 -7.657 -4.918 1.00 5.22 H new ATOM 0 HD13 ILE A 39 -5.213 -9.165 -5.800 1.00 5.22 H new ATOM 599 N ASN A 40 -4.892 -5.576 -10.760 1.00 3.42 N ATOM 600 CA ASN A 40 -5.809 -4.958 -11.724 1.00 33.33 C ATOM 601 C ASN A 40 -7.043 -5.829 -11.937 1.00 33.32 C ATOM 602 O ASN A 40 -6.956 -7.051 -11.963 1.00 30.10 O ATOM 603 CB ASN A 40 -5.117 -4.646 -13.054 1.00 54.43 C ATOM 604 CG ASN A 40 -5.975 -3.814 -13.997 1.00 32.32 C ATOM 605 OD1 ASN A 40 -6.534 -4.326 -14.945 1.00 24.51 O ATOM 606 ND2 ASN A 40 -6.116 -2.530 -13.718 1.00 63.54 N ATOM 0 H ASN A 40 -4.129 -6.114 -11.171 1.00 3.42 H new ATOM 0 HA ASN A 40 -6.132 -4.007 -11.301 1.00 33.33 H new ATOM 0 HB2 ASN A 40 -4.186 -4.114 -12.856 1.00 54.43 H new ATOM 0 HB3 ASN A 40 -4.851 -5.582 -13.546 1.00 54.43 H new ATOM 0 HD21 ASN A 40 -6.707 -1.942 -14.306 1.00 63.54 H new ATOM 0 HD22 ASN A 40 -5.634 -2.127 -12.915 1.00 63.54 H new ATOM 613 N LYS A 41 -8.182 -5.157 -12.032 1.00 35.54 N ATOM 614 CA LYS A 41 -9.492 -5.767 -12.227 1.00 52.52 C ATOM 615 C LYS A 41 -9.609 -6.452 -13.599 1.00 63.33 C ATOM 616 O LYS A 41 -10.104 -7.575 -13.700 1.00 53.00 O ATOM 617 CB LYS A 41 -10.540 -4.659 -12.079 1.00 23.04 C ATOM 618 CG LYS A 41 -11.979 -5.122 -12.058 1.00 15.02 C ATOM 619 CD LYS A 41 -12.914 -3.931 -11.991 1.00 61.30 C ATOM 620 CE LYS A 41 -14.371 -4.358 -12.017 1.00 15.14 C ATOM 621 NZ LYS A 41 -14.756 -4.923 -13.335 1.00 33.53 N ATOM 0 H LYS A 41 -8.222 -4.139 -11.974 1.00 35.54 H new ATOM 0 HA LYS A 41 -9.647 -6.549 -11.484 1.00 52.52 H new ATOM 0 HB2 LYS A 41 -10.339 -4.114 -11.157 1.00 23.04 H new ATOM 0 HB3 LYS A 41 -10.416 -3.953 -12.900 1.00 23.04 H new ATOM 0 HG2 LYS A 41 -12.192 -5.710 -12.951 1.00 15.02 H new ATOM 0 HG3 LYS A 41 -12.146 -5.773 -11.200 1.00 15.02 H new ATOM 0 HD2 LYS A 41 -12.717 -3.365 -11.081 1.00 61.30 H new ATOM 0 HD3 LYS A 41 -12.715 -3.265 -12.830 1.00 61.30 H new ATOM 0 HE2 LYS A 41 -14.546 -5.100 -11.238 1.00 15.14 H new ATOM 0 HE3 LYS A 41 -15.005 -3.501 -11.789 1.00 15.14 H new ATOM 0 HZ1 LYS A 41 -15.788 -5.045 -13.372 1.00 33.53 H new ATOM 0 HZ2 LYS A 41 -14.457 -4.275 -14.091 1.00 33.53 H new ATOM 0 HZ3 LYS A 41 -14.293 -5.845 -13.466 1.00 33.53 H new ATOM 635 N ASP A 42 -9.121 -5.775 -14.634 1.00 43.25 N ATOM 636 CA ASP A 42 -9.185 -6.269 -16.009 1.00 22.51 C ATOM 637 C ASP A 42 -8.127 -7.354 -16.260 1.00 63.30 C ATOM 638 O ASP A 42 -8.383 -8.321 -16.980 1.00 62.30 O ATOM 639 CB ASP A 42 -8.998 -5.087 -16.973 1.00 0.41 C ATOM 640 CG ASP A 42 -9.039 -5.477 -18.433 1.00 23.25 C ATOM 641 OD1 ASP A 42 -10.123 -5.827 -18.929 1.00 24.14 O ATOM 642 OD2 ASP A 42 -7.988 -5.426 -19.090 1.00 34.32 O ATOM 0 H ASP A 42 -8.668 -4.865 -14.544 1.00 43.25 H new ATOM 0 HA ASP A 42 -10.160 -6.726 -16.180 1.00 22.51 H new ATOM 0 HB2 ASP A 42 -9.776 -4.348 -16.782 1.00 0.41 H new ATOM 0 HB3 ASP A 42 -8.043 -4.606 -16.762 1.00 0.41 H new ATOM 647 N GLY A 43 -6.949 -7.182 -15.649 1.00 12.10 N ATOM 648 CA GLY A 43 -5.863 -8.143 -15.788 1.00 13.22 C ATOM 649 C GLY A 43 -6.110 -9.417 -15.005 1.00 22.43 C ATOM 650 O GLY A 43 -6.038 -10.514 -15.557 1.00 13.20 O ATOM 0 H GLY A 43 -6.729 -6.383 -15.054 1.00 12.10 H new ATOM 0 HA2 GLY A 43 -5.732 -8.388 -16.842 1.00 13.22 H new ATOM 0 HA3 GLY A 43 -4.933 -7.687 -15.449 1.00 13.22 H new ATOM 654 N GLY A 44 -6.409 -9.260 -13.721 1.00 54.42 N ATOM 655 CA GLY A 44 -6.718 -10.393 -12.868 1.00 64.53 C ATOM 656 C GLY A 44 -5.600 -10.740 -11.909 1.00 44.41 C ATOM 657 O GLY A 44 -5.795 -11.534 -10.987 1.00 62.43 O ATOM 0 H GLY A 44 -6.443 -8.356 -13.250 1.00 54.42 H new ATOM 0 HA2 GLY A 44 -7.622 -10.175 -12.299 1.00 64.53 H new ATOM 0 HA3 GLY A 44 -6.935 -11.260 -13.491 1.00 64.53 H new ATOM 661 N ASP A 45 -4.431 -10.146 -12.119 1.00 74.21 N ATOM 662 CA ASP A 45 -3.241 -10.507 -11.357 1.00 43.44 C ATOM 663 C ASP A 45 -2.642 -9.307 -10.647 1.00 2.32 C ATOM 664 O ASP A 45 -3.124 -8.181 -10.790 1.00 13.34 O ATOM 665 CB ASP A 45 -2.177 -11.130 -12.272 1.00 23.04 C ATOM 666 CG ASP A 45 -2.630 -12.423 -12.908 1.00 23.11 C ATOM 667 OD1 ASP A 45 -2.463 -13.487 -12.290 1.00 34.55 O ATOM 668 OD2 ASP A 45 -3.153 -12.375 -14.032 1.00 33.12 O ATOM 0 H ASP A 45 -4.282 -9.412 -12.811 1.00 74.21 H new ATOM 0 HA ASP A 45 -3.554 -11.235 -10.608 1.00 43.44 H new ATOM 0 HB2 ASP A 45 -1.917 -10.418 -13.055 1.00 23.04 H new ATOM 0 HB3 ASP A 45 -1.271 -11.313 -11.694 1.00 23.04 H new ATOM 673 N ASP A 46 -1.557 -9.567 -9.913 1.00 64.01 N ATOM 674 CA ASP A 46 -0.839 -8.545 -9.142 1.00 63.41 C ATOM 675 C ASP A 46 0.074 -7.742 -10.056 1.00 42.41 C ATOM 676 O ASP A 46 0.225 -8.077 -11.218 1.00 42.44 O ATOM 677 CB ASP A 46 0.014 -9.210 -8.055 1.00 73.44 C ATOM 678 CG ASP A 46 -0.806 -9.999 -7.067 1.00 24.15 C ATOM 679 OD1 ASP A 46 -1.261 -9.414 -6.069 1.00 15.51 O ATOM 680 OD2 ASP A 46 -1.001 -11.209 -7.283 1.00 71.22 O ATOM 0 H ASP A 46 -1.148 -10.498 -9.836 1.00 64.01 H new ATOM 0 HA ASP A 46 -1.573 -7.883 -8.683 1.00 63.41 H new ATOM 0 HB2 ASP A 46 0.742 -9.871 -8.525 1.00 73.44 H new ATOM 0 HB3 ASP A 46 0.577 -8.444 -7.522 1.00 73.44 H new ATOM 685 N LYS A 47 0.699 -6.688 -9.524 1.00 2.20 N ATOM 686 CA LYS A 47 1.687 -5.897 -10.272 1.00 23.23 C ATOM 687 C LYS A 47 2.956 -6.698 -10.528 1.00 51.12 C ATOM 688 O LYS A 47 3.689 -6.421 -11.475 1.00 23.10 O ATOM 689 CB LYS A 47 2.022 -4.596 -9.536 1.00 43.03 C ATOM 690 CG LYS A 47 1.507 -3.361 -10.253 1.00 15.50 C ATOM 691 CD LYS A 47 2.177 -3.208 -11.610 1.00 14.52 C ATOM 692 CE LYS A 47 1.494 -2.171 -12.475 1.00 1.22 C ATOM 693 NZ LYS A 47 1.636 -0.794 -11.949 1.00 62.12 N ATOM 0 H LYS A 47 0.538 -6.359 -8.572 1.00 2.20 H new ATOM 0 HA LYS A 47 1.241 -5.645 -11.234 1.00 23.23 H new ATOM 0 HB2 LYS A 47 1.596 -4.632 -8.533 1.00 43.03 H new ATOM 0 HB3 LYS A 47 3.103 -4.518 -9.420 1.00 43.03 H new ATOM 0 HG2 LYS A 47 0.427 -3.433 -10.381 1.00 15.50 H new ATOM 0 HG3 LYS A 47 1.698 -2.476 -9.646 1.00 15.50 H new ATOM 0 HD2 LYS A 47 3.221 -2.928 -11.468 1.00 14.52 H new ATOM 0 HD3 LYS A 47 2.172 -4.168 -12.126 1.00 14.52 H new ATOM 0 HE2 LYS A 47 1.910 -2.214 -13.481 1.00 1.22 H new ATOM 0 HE3 LYS A 47 0.435 -2.415 -12.557 1.00 1.22 H new ATOM 0 HZ1 LYS A 47 1.429 -0.111 -12.705 1.00 62.12 H new ATOM 0 HZ2 LYS A 47 0.970 -0.652 -11.163 1.00 62.12 H new ATOM 0 HZ3 LYS A 47 2.608 -0.651 -11.609 1.00 62.12 H new ATOM 707 N ASP A 48 3.195 -7.685 -9.667 1.00 41.20 N ATOM 708 CA ASP A 48 4.201 -8.710 -9.893 1.00 52.44 C ATOM 709 C ASP A 48 3.863 -9.531 -11.148 1.00 12.44 C ATOM 710 O ASP A 48 4.607 -9.523 -12.121 1.00 52.40 O ATOM 711 CB ASP A 48 4.267 -9.621 -8.652 1.00 52.11 C ATOM 712 CG ASP A 48 5.128 -10.854 -8.846 1.00 14.54 C ATOM 713 OD1 ASP A 48 6.363 -10.732 -8.778 1.00 73.31 O ATOM 714 OD2 ASP A 48 4.566 -11.946 -9.074 1.00 5.40 O ATOM 0 H ASP A 48 2.690 -7.793 -8.787 1.00 41.20 H new ATOM 0 HA ASP A 48 5.171 -8.241 -10.054 1.00 52.44 H new ATOM 0 HB2 ASP A 48 4.655 -9.047 -7.811 1.00 52.11 H new ATOM 0 HB3 ASP A 48 3.257 -9.932 -8.387 1.00 52.11 H new ATOM 719 N THR A 49 2.689 -10.159 -11.124 1.00 14.34 N ATOM 720 CA THR A 49 2.318 -11.180 -12.094 1.00 73.12 C ATOM 721 C THR A 49 1.893 -10.587 -13.451 1.00 63.44 C ATOM 722 O THR A 49 2.089 -11.215 -14.482 1.00 44.30 O ATOM 723 CB THR A 49 1.193 -12.055 -11.507 1.00 20.44 C ATOM 724 OG1 THR A 49 1.426 -12.239 -10.102 1.00 51.04 O ATOM 725 CG2 THR A 49 1.137 -13.419 -12.181 1.00 34.12 C ATOM 0 H THR A 49 1.968 -9.971 -10.428 1.00 14.34 H new ATOM 0 HA THR A 49 3.201 -11.789 -12.289 1.00 73.12 H new ATOM 0 HB THR A 49 0.243 -11.548 -11.679 1.00 20.44 H new ATOM 0 HG1 THR A 49 0.713 -12.794 -9.722 1.00 51.04 H new ATOM 0 HG21 THR A 49 0.332 -14.009 -11.742 1.00 34.12 H new ATOM 0 HG22 THR A 49 0.953 -13.291 -13.248 1.00 34.12 H new ATOM 0 HG23 THR A 49 2.086 -13.935 -12.037 1.00 34.12 H new ATOM 733 N LEU A 50 1.346 -9.368 -13.450 1.00 15.31 N ATOM 734 CA LEU A 50 0.961 -8.675 -14.684 1.00 45.25 C ATOM 735 C LEU A 50 2.170 -8.230 -15.495 1.00 54.43 C ATOM 736 O LEU A 50 2.108 -8.209 -16.713 1.00 54.01 O ATOM 737 CB LEU A 50 0.057 -7.473 -14.401 1.00 32.03 C ATOM 738 CG LEU A 50 -1.391 -7.815 -14.049 1.00 41.54 C ATOM 739 CD1 LEU A 50 -2.150 -6.557 -13.712 1.00 54.10 C ATOM 740 CD2 LEU A 50 -2.072 -8.546 -15.195 1.00 43.33 C ATOM 0 H LEU A 50 1.158 -8.836 -12.600 1.00 15.31 H new ATOM 0 HA LEU A 50 0.402 -9.400 -15.276 1.00 45.25 H new ATOM 0 HB2 LEU A 50 0.488 -6.900 -13.580 1.00 32.03 H new ATOM 0 HB3 LEU A 50 0.057 -6.824 -15.277 1.00 32.03 H new ATOM 0 HG LEU A 50 -1.386 -8.474 -13.181 1.00 41.54 H new ATOM 0 HD11 LEU A 50 -3.181 -6.810 -13.462 1.00 54.10 H new ATOM 0 HD12 LEU A 50 -1.680 -6.066 -12.860 1.00 54.10 H new ATOM 0 HD13 LEU A 50 -2.139 -5.885 -14.570 1.00 54.10 H new ATOM 0 HD21 LEU A 50 -3.101 -8.778 -14.919 1.00 43.33 H new ATOM 0 HD22 LEU A 50 -2.068 -7.914 -16.083 1.00 43.33 H new ATOM 0 HD23 LEU A 50 -1.536 -9.471 -15.406 1.00 43.33 H new ATOM 752 N SER A 51 3.260 -7.869 -14.815 1.00 5.33 N ATOM 753 CA SER A 51 4.512 -7.529 -15.494 1.00 14.02 C ATOM 754 C SER A 51 5.190 -8.786 -16.059 1.00 31.22 C ATOM 755 O SER A 51 5.874 -8.726 -17.082 1.00 63.21 O ATOM 756 CB SER A 51 5.450 -6.803 -14.531 1.00 41.14 C ATOM 757 OG SER A 51 4.823 -5.649 -13.998 1.00 52.31 O ATOM 0 H SER A 51 3.301 -7.805 -13.798 1.00 5.33 H new ATOM 0 HA SER A 51 4.282 -6.867 -16.329 1.00 14.02 H new ATOM 0 HB2 SER A 51 5.739 -7.473 -13.721 1.00 41.14 H new ATOM 0 HB3 SER A 51 6.365 -6.519 -15.051 1.00 41.14 H new ATOM 0 HG SER A 51 4.404 -5.871 -13.140 1.00 52.31 H new ATOM 763 N ARG A 52 4.966 -9.922 -15.390 1.00 21.43 N ATOM 764 CA ARG A 52 5.494 -11.219 -15.821 1.00 2.31 C ATOM 765 C ARG A 52 4.729 -11.771 -17.033 1.00 44.21 C ATOM 766 O ARG A 52 5.303 -12.456 -17.875 1.00 35.41 O ATOM 767 CB ARG A 52 5.435 -12.209 -14.654 1.00 61.12 C ATOM 768 CG ARG A 52 6.387 -11.861 -13.519 1.00 63.25 C ATOM 769 CD ARG A 52 6.062 -12.616 -12.240 1.00 65.12 C ATOM 770 NE ARG A 52 6.215 -14.068 -12.372 1.00 53.32 N ATOM 771 CZ ARG A 52 5.900 -14.952 -11.418 1.00 12.44 C ATOM 772 NH1 ARG A 52 5.404 -14.549 -10.250 1.00 65.02 N ATOM 773 NH2 ARG A 52 6.089 -16.245 -11.636 1.00 25.32 N ATOM 0 H ARG A 52 4.413 -9.967 -14.534 1.00 21.43 H new ATOM 0 HA ARG A 52 6.530 -11.080 -16.129 1.00 2.31 H new ATOM 0 HB2 ARG A 52 4.417 -12.243 -14.267 1.00 61.12 H new ATOM 0 HB3 ARG A 52 5.670 -13.208 -15.022 1.00 61.12 H new ATOM 0 HG2 ARG A 52 7.409 -12.088 -13.823 1.00 63.25 H new ATOM 0 HG3 ARG A 52 6.343 -10.789 -13.327 1.00 63.25 H new ATOM 0 HD2 ARG A 52 6.712 -12.260 -11.440 1.00 65.12 H new ATOM 0 HD3 ARG A 52 5.038 -12.391 -11.943 1.00 65.12 H new ATOM 0 HE ARG A 52 6.587 -14.429 -13.251 1.00 53.32 H new ATOM 0 HH11 ARG A 52 5.260 -13.555 -10.073 1.00 65.02 H new ATOM 0 HH12 ARG A 52 5.168 -15.234 -9.532 1.00 65.02 H new ATOM 0 HH21 ARG A 52 6.472 -16.561 -12.527 1.00 25.32 H new ATOM 0 HH22 ARG A 52 5.851 -16.924 -10.913 1.00 25.32 H new ATOM 787 N ASN A 53 3.435 -11.460 -17.119 1.00 20.32 N ATOM 788 CA ASN A 53 2.601 -11.877 -18.255 1.00 24.10 C ATOM 789 C ASN A 53 2.720 -10.903 -19.426 1.00 44.42 C ATOM 790 O ASN A 53 2.626 -11.300 -20.589 1.00 35.12 O ATOM 791 CB ASN A 53 1.131 -11.992 -17.833 1.00 61.21 C ATOM 792 CG ASN A 53 0.782 -13.342 -17.236 1.00 24.35 C ATOM 793 OD1 ASN A 53 0.384 -14.258 -17.951 1.00 13.35 O ATOM 794 ND2 ASN A 53 0.926 -13.479 -15.932 1.00 44.10 N ATOM 0 H ASN A 53 2.936 -10.918 -16.413 1.00 20.32 H new ATOM 0 HA ASN A 53 2.962 -12.853 -18.580 1.00 24.10 H new ATOM 0 HB2 ASN A 53 0.907 -11.212 -17.105 1.00 61.21 H new ATOM 0 HB3 ASN A 53 0.496 -11.811 -18.700 1.00 61.21 H new ATOM 0 HD21 ASN A 53 0.704 -14.369 -15.485 1.00 44.10 H new ATOM 0 HD22 ASN A 53 1.259 -12.695 -15.371 1.00 44.10 H new ATOM 801 N GLY A 54 2.925 -9.629 -19.101 1.00 3.34 N ATOM 802 CA GLY A 54 2.983 -8.582 -20.103 1.00 61.33 C ATOM 803 C GLY A 54 1.627 -7.934 -20.340 1.00 40.44 C ATOM 804 O GLY A 54 1.408 -7.303 -21.374 1.00 33.52 O ATOM 0 H GLY A 54 3.054 -9.301 -18.144 1.00 3.34 H new ATOM 0 HA2 GLY A 54 3.697 -7.821 -19.789 1.00 61.33 H new ATOM 0 HA3 GLY A 54 3.353 -8.999 -21.040 1.00 61.33 H new ATOM 808 N GLY A 55 0.725 -8.077 -19.366 1.00 73.12 N ATOM 809 CA GLY A 55 -0.631 -7.576 -19.507 1.00 21.24 C ATOM 810 C GLY A 55 -0.927 -6.416 -18.587 1.00 2.21 C ATOM 811 O GLY A 55 -1.894 -6.459 -17.825 1.00 32.43 O ATOM 0 H GLY A 55 0.915 -8.536 -18.475 1.00 73.12 H new ATOM 0 HA2 GLY A 55 -0.793 -7.265 -20.539 1.00 21.24 H new ATOM 0 HA3 GLY A 55 -1.334 -8.383 -19.303 1.00 21.24 H new ATOM 815 N TYR A 56 -0.084 -5.388 -18.647 1.00 45.44 N ATOM 816 CA TYR A 56 -0.294 -4.151 -17.897 1.00 51.24 C ATOM 817 C TYR A 56 -1.362 -3.289 -18.599 1.00 32.42 C ATOM 818 O TYR A 56 -1.059 -2.480 -19.483 1.00 63.53 O ATOM 819 CB TYR A 56 1.059 -3.401 -17.754 1.00 60.32 C ATOM 820 CG TYR A 56 1.104 -2.165 -16.844 1.00 20.23 C ATOM 821 CD1 TYR A 56 -0.037 -1.580 -16.294 1.00 51.24 C ATOM 822 CD2 TYR A 56 2.329 -1.582 -16.541 1.00 43.11 C ATOM 823 CE1 TYR A 56 0.041 -0.465 -15.490 1.00 40.14 C ATOM 824 CE2 TYR A 56 2.414 -0.466 -15.732 1.00 1.23 C ATOM 825 CZ TYR A 56 1.265 0.086 -15.209 1.00 54.42 C ATOM 826 OH TYR A 56 1.346 1.184 -14.388 1.00 44.11 O ATOM 0 H TYR A 56 0.763 -5.388 -19.216 1.00 45.44 H new ATOM 0 HA TYR A 56 -0.662 -4.375 -16.896 1.00 51.24 H new ATOM 0 HB2 TYR A 56 1.799 -4.113 -17.387 1.00 60.32 H new ATOM 0 HB3 TYR A 56 1.378 -3.094 -18.750 1.00 60.32 H new ATOM 0 HD1 TYR A 56 -1.004 -2.012 -16.504 1.00 51.24 H new ATOM 0 HD2 TYR A 56 3.233 -2.011 -16.947 1.00 43.11 H new ATOM 0 HE1 TYR A 56 -0.858 -0.026 -15.082 1.00 40.14 H new ATOM 0 HE2 TYR A 56 3.376 -0.028 -15.510 1.00 1.23 H new ATOM 0 HH TYR A 56 2.284 1.450 -14.289 1.00 44.11 H new ATOM 836 N LYS A 57 -2.615 -3.534 -18.234 1.00 53.52 N ATOM 837 CA LYS A 57 -3.729 -2.703 -18.664 1.00 73.01 C ATOM 838 C LYS A 57 -4.362 -1.978 -17.485 1.00 63.42 C ATOM 839 O LYS A 57 -4.227 -2.397 -16.338 1.00 61.41 O ATOM 840 CB LYS A 57 -4.784 -3.541 -19.395 1.00 32.24 C ATOM 841 CG LYS A 57 -4.349 -3.986 -20.781 1.00 12.33 C ATOM 842 CD LYS A 57 -5.479 -4.666 -21.529 1.00 34.34 C ATOM 843 CE LYS A 57 -5.085 -4.954 -22.964 1.00 1.35 C ATOM 844 NZ LYS A 57 -6.168 -5.633 -23.717 1.00 34.52 N ATOM 0 H LYS A 57 -2.885 -4.313 -17.633 1.00 53.52 H new ATOM 0 HA LYS A 57 -3.335 -1.957 -19.354 1.00 73.01 H new ATOM 0 HB2 LYS A 57 -5.017 -4.421 -18.796 1.00 32.24 H new ATOM 0 HB3 LYS A 57 -5.703 -2.961 -19.480 1.00 32.24 H new ATOM 0 HG2 LYS A 57 -4.004 -3.122 -21.349 1.00 12.33 H new ATOM 0 HG3 LYS A 57 -3.505 -4.670 -20.696 1.00 12.33 H new ATOM 0 HD2 LYS A 57 -5.744 -5.597 -21.027 1.00 34.34 H new ATOM 0 HD3 LYS A 57 -6.365 -4.031 -21.512 1.00 34.34 H new ATOM 0 HE2 LYS A 57 -4.829 -4.020 -23.463 1.00 1.35 H new ATOM 0 HE3 LYS A 57 -4.191 -5.577 -22.975 1.00 1.35 H new ATOM 0 HZ1 LYS A 57 -5.854 -5.810 -24.693 1.00 34.52 H new ATOM 0 HZ2 LYS A 57 -6.396 -6.537 -23.257 1.00 34.52 H new ATOM 0 HZ3 LYS A 57 -7.014 -5.028 -23.730 1.00 34.52 H new ATOM 858 N MET A 58 -5.021 -0.867 -17.790 1.00 34.41 N ATOM 859 CA MET A 58 -5.740 -0.066 -16.803 1.00 35.32 C ATOM 860 C MET A 58 -7.159 0.176 -17.303 1.00 31.31 C ATOM 861 O MET A 58 -7.391 0.183 -18.514 1.00 3.42 O ATOM 862 CB MET A 58 -5.052 1.293 -16.586 1.00 4.41 C ATOM 863 CG MET A 58 -3.619 1.219 -16.075 1.00 51.22 C ATOM 864 SD MET A 58 -2.857 2.847 -15.900 1.00 24.21 S ATOM 865 CE MET A 58 -2.808 3.392 -17.607 1.00 25.14 C ATOM 0 H MET A 58 -5.073 -0.492 -18.737 1.00 34.41 H new ATOM 0 HA MET A 58 -5.749 -0.607 -15.857 1.00 35.32 H new ATOM 0 HB2 MET A 58 -5.057 1.840 -17.529 1.00 4.41 H new ATOM 0 HB3 MET A 58 -5.644 1.873 -15.878 1.00 4.41 H new ATOM 0 HG2 MET A 58 -3.607 0.711 -15.111 1.00 51.22 H new ATOM 0 HG3 MET A 58 -3.024 0.615 -16.760 1.00 51.22 H new ATOM 0 HE1 MET A 58 -2.070 4.187 -17.714 1.00 25.14 H new ATOM 0 HE2 MET A 58 -2.535 2.554 -18.249 1.00 25.14 H new ATOM 0 HE3 MET A 58 -3.789 3.767 -17.898 1.00 25.14 H new ATOM 875 N VAL A 59 -8.111 0.380 -16.385 1.00 74.13 N ATOM 876 CA VAL A 59 -9.486 0.707 -16.792 1.00 54.23 C ATOM 877 C VAL A 59 -9.703 2.231 -16.771 1.00 4.24 C ATOM 878 O VAL A 59 -10.706 2.742 -17.273 1.00 54.40 O ATOM 879 CB VAL A 59 -10.581 -0.031 -15.939 1.00 33.34 C ATOM 880 CG1 VAL A 59 -10.246 -1.507 -15.752 1.00 72.12 C ATOM 881 CG2 VAL A 59 -10.838 0.626 -14.587 1.00 51.30 C ATOM 0 H VAL A 59 -7.962 0.327 -15.377 1.00 74.13 H new ATOM 0 HA VAL A 59 -9.605 0.342 -17.812 1.00 54.23 H new ATOM 0 HB VAL A 59 -11.503 0.052 -16.514 1.00 33.34 H new ATOM 0 HG11 VAL A 59 -11.025 -1.984 -15.158 1.00 72.12 H new ATOM 0 HG12 VAL A 59 -10.184 -1.992 -16.726 1.00 72.12 H new ATOM 0 HG13 VAL A 59 -9.289 -1.601 -15.238 1.00 72.12 H new ATOM 0 HG21 VAL A 59 -11.604 0.066 -14.050 1.00 51.30 H new ATOM 0 HG22 VAL A 59 -9.917 0.631 -14.004 1.00 51.30 H new ATOM 0 HG23 VAL A 59 -11.177 1.651 -14.739 1.00 51.30 H new ATOM 891 N GLU A 60 -8.726 2.939 -16.202 1.00 14.01 N ATOM 892 CA GLU A 60 -8.740 4.387 -16.081 1.00 3.11 C ATOM 893 C GLU A 60 -7.290 4.868 -16.047 1.00 62.52 C ATOM 894 O GLU A 60 -6.415 4.179 -15.524 1.00 52.42 O ATOM 895 CB GLU A 60 -9.517 4.788 -14.807 1.00 53.43 C ATOM 896 CG GLU A 60 -9.513 6.267 -14.425 1.00 42.33 C ATOM 897 CD GLU A 60 -10.133 7.161 -15.469 1.00 51.42 C ATOM 898 OE1 GLU A 60 -11.369 7.210 -15.561 1.00 44.31 O ATOM 899 OE2 GLU A 60 -9.379 7.833 -16.199 1.00 20.04 O ATOM 0 H GLU A 60 -7.890 2.509 -15.807 1.00 14.01 H new ATOM 0 HA GLU A 60 -9.245 4.855 -16.926 1.00 3.11 H new ATOM 0 HB2 GLU A 60 -10.553 4.473 -14.930 1.00 53.43 H new ATOM 0 HB3 GLU A 60 -9.109 4.221 -13.970 1.00 53.43 H new ATOM 0 HG2 GLU A 60 -10.051 6.393 -13.485 1.00 42.33 H new ATOM 0 HG3 GLU A 60 -8.486 6.586 -14.249 1.00 42.33 H new ATOM 906 N TYR A 61 -7.043 6.037 -16.616 1.00 15.12 N ATOM 907 CA TYR A 61 -5.690 6.559 -16.785 1.00 53.30 C ATOM 908 C TYR A 61 -5.267 7.410 -15.590 1.00 62.22 C ATOM 909 O TYR A 61 -4.084 7.717 -15.421 1.00 73.14 O ATOM 910 CB TYR A 61 -5.613 7.377 -18.076 1.00 12.40 C ATOM 911 CG TYR A 61 -6.132 6.626 -19.282 1.00 33.24 C ATOM 912 CD1 TYR A 61 -5.326 5.727 -19.953 1.00 13.31 C ATOM 913 CD2 TYR A 61 -7.438 6.800 -19.724 1.00 25.51 C ATOM 914 CE1 TYR A 61 -5.802 5.021 -21.033 1.00 21.30 C ATOM 915 CE2 TYR A 61 -7.920 6.100 -20.808 1.00 2.23 C ATOM 916 CZ TYR A 61 -7.099 5.210 -21.457 1.00 21.24 C ATOM 917 OH TYR A 61 -7.573 4.499 -22.533 1.00 41.41 O ATOM 0 H TYR A 61 -7.772 6.653 -16.975 1.00 15.12 H new ATOM 0 HA TYR A 61 -5.002 5.716 -16.848 1.00 53.30 H new ATOM 0 HB2 TYR A 61 -6.186 8.296 -17.952 1.00 12.40 H new ATOM 0 HB3 TYR A 61 -4.578 7.669 -18.254 1.00 12.40 H new ATOM 0 HD1 TYR A 61 -4.308 5.576 -19.625 1.00 13.31 H new ATOM 0 HD2 TYR A 61 -8.085 7.495 -19.210 1.00 25.51 H new ATOM 0 HE1 TYR A 61 -5.161 4.320 -21.547 1.00 21.30 H new ATOM 0 HE2 TYR A 61 -8.935 6.250 -21.145 1.00 2.23 H new ATOM 0 HH TYR A 61 -8.506 4.747 -22.704 1.00 41.41 H new ATOM 927 N GLY A 62 -6.240 7.749 -14.737 1.00 33.11 N ATOM 928 CA GLY A 62 -5.973 8.518 -13.534 1.00 52.55 C ATOM 929 C GLY A 62 -5.627 7.639 -12.344 1.00 53.25 C ATOM 930 O GLY A 62 -6.134 7.846 -11.241 1.00 44.05 O ATOM 0 H GLY A 62 -7.220 7.498 -14.865 1.00 33.11 H new ATOM 0 HA2 GLY A 62 -5.150 9.208 -13.723 1.00 52.55 H new ATOM 0 HA3 GLY A 62 -6.847 9.123 -13.292 1.00 52.55 H new ATOM 934 N GLY A 63 -4.762 6.659 -12.578 1.00 53.21 N ATOM 935 CA GLY A 63 -4.310 5.783 -11.529 1.00 42.01 C ATOM 936 C GLY A 63 -2.846 5.450 -11.639 1.00 13.11 C ATOM 937 O GLY A 63 -2.386 4.480 -11.052 1.00 73.15 O ATOM 0 H GLY A 63 -4.363 6.459 -13.495 1.00 53.21 H new ATOM 0 HA2 GLY A 63 -4.500 6.251 -10.563 1.00 42.01 H new ATOM 0 HA3 GLY A 63 -4.891 4.861 -11.556 1.00 42.01 H new ATOM 941 N ALA A 64 -2.119 6.280 -12.383 1.00 35.43 N ATOM 942 CA ALA A 64 -0.673 6.157 -12.512 1.00 55.34 C ATOM 943 C ALA A 64 0.013 6.577 -11.213 1.00 22.21 C ATOM 944 O ALA A 64 1.004 5.983 -10.791 1.00 60.21 O ATOM 945 CB ALA A 64 -0.188 7.008 -13.677 1.00 21.04 C ATOM 0 H ALA A 64 -2.517 7.056 -12.912 1.00 35.43 H new ATOM 0 HA ALA A 64 -0.418 5.116 -12.709 1.00 55.34 H new ATOM 0 HB1 ALA A 64 0.894 6.914 -13.771 1.00 21.04 H new ATOM 0 HB2 ALA A 64 -0.663 6.669 -14.598 1.00 21.04 H new ATOM 0 HB3 ALA A 64 -0.447 8.052 -13.498 1.00 21.04 H new ATOM 951 N GLN A 65 -0.548 7.605 -10.579 1.00 61.22 N ATOM 952 CA GLN A 65 -0.056 8.098 -9.299 1.00 2.04 C ATOM 953 C GLN A 65 -0.884 7.530 -8.149 1.00 72.11 C ATOM 954 O GLN A 65 -0.444 7.547 -7.000 1.00 35.20 O ATOM 955 CB GLN A 65 -0.098 9.634 -9.258 1.00 5.34 C ATOM 956 CG GLN A 65 0.659 10.328 -10.392 1.00 64.35 C ATOM 957 CD GLN A 65 2.135 9.970 -10.456 1.00 3.01 C ATOM 958 OE1 GLN A 65 2.966 10.596 -9.809 1.00 30.52 O ATOM 959 NE2 GLN A 65 2.470 8.981 -11.266 1.00 2.10 N ATOM 0 H GLN A 65 -1.354 8.117 -10.939 1.00 61.22 H new ATOM 0 HA GLN A 65 0.977 7.769 -9.187 1.00 2.04 H new ATOM 0 HB2 GLN A 65 -1.139 9.956 -9.285 1.00 5.34 H new ATOM 0 HB3 GLN A 65 0.314 9.969 -8.306 1.00 5.34 H new ATOM 0 HG2 GLN A 65 0.190 10.068 -11.341 1.00 64.35 H new ATOM 0 HG3 GLN A 65 0.562 11.407 -10.274 1.00 64.35 H new ATOM 0 HE21 GLN A 65 1.749 8.483 -11.788 1.00 2.10 H new ATOM 0 HE22 GLN A 65 3.449 8.716 -11.369 1.00 2.10 H new ATOM 968 N ALA A 66 -2.076 7.003 -8.475 1.00 3.23 N ATOM 969 CA ALA A 66 -2.991 6.448 -7.475 1.00 52.44 C ATOM 970 C ALA A 66 -2.526 5.077 -6.994 1.00 41.43 C ATOM 971 O ALA A 66 -2.816 4.680 -5.862 1.00 32.13 O ATOM 972 CB ALA A 66 -4.406 6.373 -8.019 1.00 40.40 C ATOM 0 H ALA A 66 -2.426 6.952 -9.432 1.00 3.23 H new ATOM 0 HA ALA A 66 -2.988 7.121 -6.617 1.00 52.44 H new ATOM 0 HB1 ALA A 66 -5.067 5.958 -7.258 1.00 40.40 H new ATOM 0 HB2 ALA A 66 -4.746 7.373 -8.288 1.00 40.40 H new ATOM 0 HB3 ALA A 66 -4.423 5.734 -8.902 1.00 40.40 H new ATOM 978 N GLU A 67 -1.797 4.375 -7.857 1.00 31.21 N ATOM 979 CA GLU A 67 -1.174 3.112 -7.496 1.00 23.02 C ATOM 980 C GLU A 67 0.033 3.308 -6.595 1.00 62.11 C ATOM 981 O GLU A 67 0.688 4.366 -6.606 1.00 45.43 O ATOM 982 CB GLU A 67 -0.670 2.377 -8.717 1.00 43.14 C ATOM 983 CG GLU A 67 -1.695 1.614 -9.509 1.00 22.14 C ATOM 984 CD GLU A 67 -0.997 0.740 -10.518 1.00 75.10 C ATOM 985 OE1 GLU A 67 -0.483 -0.329 -10.125 1.00 31.33 O ATOM 986 OE2 GLU A 67 -0.898 1.136 -11.693 1.00 71.11 O ATOM 0 H GLU A 67 -1.624 4.666 -8.819 1.00 31.21 H new ATOM 0 HA GLU A 67 -1.950 2.544 -6.983 1.00 23.02 H new ATOM 0 HB2 GLU A 67 -0.196 3.101 -9.380 1.00 43.14 H new ATOM 0 HB3 GLU A 67 0.105 1.679 -8.400 1.00 43.14 H new ATOM 0 HG2 GLU A 67 -2.305 1.004 -8.843 1.00 22.14 H new ATOM 0 HG3 GLU A 67 -2.369 2.306 -10.015 1.00 22.14 H new ATOM 993 N TRP A 68 0.351 2.257 -5.862 1.00 14.30 N ATOM 994 CA TRP A 68 1.575 2.199 -5.100 1.00 70.11 C ATOM 995 C TRP A 68 2.686 1.593 -5.951 1.00 20.53 C ATOM 996 O TRP A 68 2.882 0.378 -5.976 1.00 44.32 O ATOM 997 CB TRP A 68 1.393 1.410 -3.790 1.00 42.10 C ATOM 998 CG TRP A 68 0.283 1.913 -2.917 1.00 52.34 C ATOM 999 CD1 TRP A 68 -0.709 1.161 -2.373 1.00 74.42 C ATOM 1000 CD2 TRP A 68 0.041 3.267 -2.493 1.00 10.12 C ATOM 1001 NE1 TRP A 68 -1.575 1.953 -1.666 1.00 24.01 N ATOM 1002 CE2 TRP A 68 -1.131 3.254 -1.718 1.00 13.41 C ATOM 1003 CE3 TRP A 68 0.695 4.490 -2.701 1.00 2.41 C ATOM 1004 CZ2 TRP A 68 -1.658 4.415 -1.152 1.00 74.22 C ATOM 1005 CZ3 TRP A 68 0.171 5.632 -2.137 1.00 0.14 C ATOM 1006 CH2 TRP A 68 -0.996 5.588 -1.371 1.00 40.42 C ATOM 0 H TRP A 68 -0.233 1.424 -5.781 1.00 14.30 H new ATOM 0 HA TRP A 68 1.853 3.216 -4.825 1.00 70.11 H new ATOM 0 HB2 TRP A 68 1.204 0.364 -4.032 1.00 42.10 H new ATOM 0 HB3 TRP A 68 2.326 1.443 -3.227 1.00 42.10 H new ATOM 0 HD1 TRP A 68 -0.802 0.091 -2.482 1.00 74.42 H new ATOM 0 HE1 TRP A 68 -2.412 1.631 -1.180 1.00 24.01 H new ATOM 0 HE3 TRP A 68 1.596 4.536 -3.295 1.00 2.41 H new ATOM 0 HZ2 TRP A 68 -2.561 4.386 -0.560 1.00 74.22 H new ATOM 0 HZ3 TRP A 68 0.671 6.577 -2.290 1.00 0.14 H new ATOM 0 HH2 TRP A 68 -1.382 6.501 -0.943 1.00 40.42 H new ATOM 1017 N HIS A 69 3.352 2.461 -6.713 1.00 43.43 N ATOM 1018 CA HIS A 69 4.557 2.084 -7.454 1.00 40.45 C ATOM 1019 C HIS A 69 5.438 3.313 -7.724 1.00 15.50 C ATOM 1020 O HIS A 69 6.645 3.188 -7.901 1.00 1.13 O ATOM 1021 CB HIS A 69 4.225 1.296 -8.761 1.00 12.44 C ATOM 1022 CG HIS A 69 3.609 2.060 -9.908 1.00 42.21 C ATOM 1023 ND1 HIS A 69 2.258 2.209 -10.082 1.00 65.10 N ATOM 1024 CD2 HIS A 69 4.185 2.687 -10.961 1.00 23.14 C ATOM 1025 CE1 HIS A 69 2.028 2.890 -11.191 1.00 4.50 C ATOM 1026 NE2 HIS A 69 3.177 3.195 -11.741 1.00 14.33 N ATOM 0 H HIS A 69 3.076 3.435 -6.834 1.00 43.43 H new ATOM 0 HA HIS A 69 5.129 1.400 -6.827 1.00 40.45 H new ATOM 0 HB2 HIS A 69 5.147 0.840 -9.120 1.00 12.44 H new ATOM 0 HB3 HIS A 69 3.548 0.483 -8.499 1.00 12.44 H new ATOM 0 HD2 HIS A 69 5.245 2.772 -11.152 1.00 23.14 H new ATOM 0 HE1 HIS A 69 1.055 3.152 -11.579 1.00 4.50 H new ATOM 0 HE2 HIS A 69 3.302 3.722 -12.605 1.00 14.33 H new ATOM 1035 N GLU A 70 4.818 4.497 -7.759 1.00 45.43 N ATOM 1036 CA GLU A 70 5.545 5.746 -8.000 1.00 1.01 C ATOM 1037 C GLU A 70 5.512 6.653 -6.782 1.00 31.11 C ATOM 1038 O GLU A 70 6.556 6.998 -6.227 1.00 14.54 O ATOM 1039 CB GLU A 70 4.968 6.483 -9.203 1.00 52.53 C ATOM 1040 CG GLU A 70 5.400 5.909 -10.538 1.00 0.23 C ATOM 1041 CD GLU A 70 4.792 6.640 -11.706 1.00 13.12 C ATOM 1042 OE1 GLU A 70 5.202 7.782 -11.970 1.00 51.25 O ATOM 1043 OE2 GLU A 70 3.902 6.073 -12.360 1.00 61.41 O ATOM 0 H GLU A 70 3.814 4.616 -7.623 1.00 45.43 H new ATOM 0 HA GLU A 70 6.582 5.482 -8.205 1.00 1.01 H new ATOM 0 HB2 GLU A 70 3.880 6.460 -9.143 1.00 52.53 H new ATOM 0 HB3 GLU A 70 5.268 7.530 -9.154 1.00 52.53 H new ATOM 0 HG2 GLU A 70 6.487 5.951 -10.613 1.00 0.23 H new ATOM 0 HG3 GLU A 70 5.118 4.857 -10.586 1.00 0.23 H new ATOM 1050 N GLN A 71 4.297 7.007 -6.348 1.00 74.51 N ATOM 1051 CA GLN A 71 4.105 7.876 -5.184 1.00 10.35 C ATOM 1052 C GLN A 71 4.387 7.140 -3.881 1.00 2.24 C ATOM 1053 O GLN A 71 4.651 7.763 -2.852 1.00 40.12 O ATOM 1054 CB GLN A 71 2.684 8.431 -5.174 1.00 50.11 C ATOM 1055 CG GLN A 71 2.392 9.413 -6.300 1.00 4.04 C ATOM 1056 CD GLN A 71 3.256 10.656 -6.235 1.00 21.04 C ATOM 1057 OE1 GLN A 71 2.902 11.627 -5.579 1.00 50.20 O ATOM 1058 NE2 GLN A 71 4.378 10.644 -6.937 1.00 44.31 N ATOM 0 H GLN A 71 3.429 6.703 -6.789 1.00 74.51 H new ATOM 0 HA GLN A 71 4.815 8.699 -5.262 1.00 10.35 H new ATOM 0 HB2 GLN A 71 1.981 7.601 -5.239 1.00 50.11 H new ATOM 0 HB3 GLN A 71 2.505 8.926 -4.219 1.00 50.11 H new ATOM 0 HG2 GLN A 71 2.549 8.917 -7.258 1.00 4.04 H new ATOM 0 HG3 GLN A 71 1.342 9.703 -6.259 1.00 4.04 H new ATOM 0 HE21 GLN A 71 4.637 9.814 -7.471 1.00 44.31 H new ATOM 0 HE22 GLN A 71 4.984 11.465 -6.944 1.00 44.31 H new ATOM 1067 N ALA A 72 4.374 5.805 -3.966 1.00 53.41 N ATOM 1068 CA ALA A 72 4.632 4.925 -2.838 1.00 2.22 C ATOM 1069 C ALA A 72 6.059 5.026 -2.314 1.00 3.20 C ATOM 1070 O ALA A 72 6.277 4.724 -1.160 1.00 5.01 O ATOM 1071 CB ALA A 72 4.342 3.496 -3.216 1.00 61.24 C ATOM 0 H ALA A 72 4.181 5.306 -4.835 1.00 53.41 H new ATOM 0 HA ALA A 72 3.968 5.250 -2.037 1.00 2.22 H new ATOM 0 HB1 ALA A 72 4.539 2.847 -2.363 1.00 61.24 H new ATOM 0 HB2 ALA A 72 3.296 3.402 -3.509 1.00 61.24 H new ATOM 0 HB3 ALA A 72 4.980 3.203 -4.050 1.00 61.24 H new ATOM 1077 N GLU A 73 7.016 5.442 -3.166 1.00 35.31 N ATOM 1078 CA GLU A 73 8.431 5.563 -2.774 1.00 42.15 C ATOM 1079 C GLU A 73 8.648 6.622 -1.672 1.00 45.43 C ATOM 1080 O GLU A 73 9.543 6.489 -0.833 1.00 73.42 O ATOM 1081 CB GLU A 73 9.293 5.905 -3.991 1.00 54.22 C ATOM 1082 CG GLU A 73 10.781 5.857 -3.696 1.00 52.04 C ATOM 1083 CD GLU A 73 11.618 6.453 -4.788 1.00 21.43 C ATOM 1084 OE1 GLU A 73 11.939 5.735 -5.750 1.00 40.40 O ATOM 1085 OE2 GLU A 73 11.967 7.641 -4.683 1.00 23.03 O ATOM 0 H GLU A 73 6.832 5.701 -4.135 1.00 35.31 H new ATOM 0 HA GLU A 73 8.731 4.597 -2.368 1.00 42.15 H new ATOM 0 HB2 GLU A 73 9.065 5.208 -4.798 1.00 54.22 H new ATOM 0 HB3 GLU A 73 9.031 6.901 -4.347 1.00 54.22 H new ATOM 0 HG2 GLU A 73 10.978 6.388 -2.765 1.00 52.04 H new ATOM 0 HG3 GLU A 73 11.081 4.821 -3.541 1.00 52.04 H new ATOM 1092 N LYS A 74 7.828 7.667 -1.674 1.00 33.04 N ATOM 1093 CA LYS A 74 7.906 8.704 -0.643 1.00 35.42 C ATOM 1094 C LYS A 74 7.335 8.166 0.667 1.00 15.32 C ATOM 1095 O LYS A 74 7.885 8.378 1.746 1.00 71.21 O ATOM 1096 CB LYS A 74 7.113 9.959 -1.066 1.00 70.21 C ATOM 1097 CG LYS A 74 7.412 10.493 -2.466 1.00 60.11 C ATOM 1098 CD LYS A 74 8.867 10.902 -2.646 1.00 44.54 C ATOM 1099 CE LYS A 74 9.589 9.949 -3.578 1.00 34.44 C ATOM 1100 NZ LYS A 74 11.022 10.288 -3.733 1.00 73.11 N ATOM 0 H LYS A 74 7.103 7.821 -2.374 1.00 33.04 H new ATOM 0 HA LYS A 74 8.952 8.979 -0.509 1.00 35.42 H new ATOM 0 HB2 LYS A 74 6.049 9.731 -1.004 1.00 70.21 H new ATOM 0 HB3 LYS A 74 7.312 10.752 -0.345 1.00 70.21 H new ATOM 0 HG2 LYS A 74 7.161 9.729 -3.202 1.00 60.11 H new ATOM 0 HG3 LYS A 74 6.771 11.352 -2.666 1.00 60.11 H new ATOM 0 HD2 LYS A 74 8.917 11.915 -3.046 1.00 44.54 H new ATOM 0 HD3 LYS A 74 9.367 10.917 -1.677 1.00 44.54 H new ATOM 0 HE2 LYS A 74 9.498 8.932 -3.195 1.00 34.44 H new ATOM 0 HE3 LYS A 74 9.107 9.966 -4.555 1.00 34.44 H new ATOM 0 HZ1 LYS A 74 11.543 9.451 -4.066 1.00 73.11 H new ATOM 0 HZ2 LYS A 74 11.124 11.057 -4.425 1.00 73.11 H new ATOM 0 HZ3 LYS A 74 11.407 10.594 -2.817 1.00 73.11 H new ATOM 1114 N VAL A 75 6.238 7.437 0.524 1.00 54.03 N ATOM 1115 CA VAL A 75 5.437 6.946 1.635 1.00 2.44 C ATOM 1116 C VAL A 75 6.099 5.750 2.367 1.00 10.12 C ATOM 1117 O VAL A 75 5.993 5.635 3.592 1.00 74.12 O ATOM 1118 CB VAL A 75 4.023 6.558 1.130 1.00 60.53 C ATOM 1119 CG1 VAL A 75 3.092 6.358 2.286 1.00 4.04 C ATOM 1120 CG2 VAL A 75 3.443 7.610 0.196 1.00 42.13 C ATOM 0 H VAL A 75 5.872 7.164 -0.388 1.00 54.03 H new ATOM 0 HA VAL A 75 5.360 7.753 2.363 1.00 2.44 H new ATOM 0 HB VAL A 75 4.128 5.627 0.573 1.00 60.53 H new ATOM 0 HG11 VAL A 75 2.104 6.086 1.915 1.00 4.04 H new ATOM 0 HG12 VAL A 75 3.471 5.561 2.925 1.00 4.04 H new ATOM 0 HG13 VAL A 75 3.022 7.281 2.861 1.00 4.04 H new ATOM 0 HG21 VAL A 75 2.452 7.297 -0.134 1.00 42.13 H new ATOM 0 HG22 VAL A 75 3.367 8.562 0.722 1.00 42.13 H new ATOM 0 HG23 VAL A 75 4.094 7.726 -0.671 1.00 42.13 H new ATOM 1130 N GLU A 76 6.786 4.882 1.606 1.00 54.44 N ATOM 1131 CA GLU A 76 7.408 3.655 2.135 1.00 74.21 C ATOM 1132 C GLU A 76 8.516 3.960 3.151 1.00 30.51 C ATOM 1133 O GLU A 76 8.621 3.287 4.173 1.00 52.32 O ATOM 1134 CB GLU A 76 7.972 2.774 0.992 1.00 41.23 C ATOM 1135 CG GLU A 76 8.992 3.473 0.110 1.00 62.51 C ATOM 1136 CD GLU A 76 9.963 2.543 -0.565 1.00 24.13 C ATOM 1137 OE1 GLU A 76 10.835 2.001 0.131 1.00 62.12 O ATOM 1138 OE2 GLU A 76 9.900 2.394 -1.795 1.00 50.02 O ATOM 0 H GLU A 76 6.926 5.011 0.604 1.00 54.44 H new ATOM 0 HA GLU A 76 6.620 3.106 2.650 1.00 74.21 H new ATOM 0 HB2 GLU A 76 8.432 1.886 1.426 1.00 41.23 H new ATOM 0 HB3 GLU A 76 7.145 2.432 0.370 1.00 41.23 H new ATOM 0 HG2 GLU A 76 8.464 4.046 -0.653 1.00 62.51 H new ATOM 0 HG3 GLU A 76 9.551 4.187 0.715 1.00 62.51 H new ATOM 1145 N ALA A 77 9.315 4.996 2.852 1.00 52.33 N ATOM 1146 CA ALA A 77 10.398 5.449 3.715 1.00 4.51 C ATOM 1147 C ALA A 77 9.873 5.992 5.040 1.00 52.14 C ATOM 1148 O ALA A 77 10.501 5.811 6.084 1.00 44.44 O ATOM 1149 CB ALA A 77 11.212 6.507 2.987 1.00 42.05 C ATOM 0 H ALA A 77 9.220 5.542 1.996 1.00 52.33 H new ATOM 0 HA ALA A 77 11.034 4.595 3.948 1.00 4.51 H new ATOM 0 HB1 ALA A 77 12.023 6.848 3.630 1.00 42.05 H new ATOM 0 HB2 ALA A 77 11.627 6.082 2.073 1.00 42.05 H new ATOM 0 HB3 ALA A 77 10.570 7.351 2.735 1.00 42.05 H new ATOM 1155 N TYR A 78 8.700 6.623 4.981 1.00 23.11 N ATOM 1156 CA TYR A 78 8.069 7.211 6.148 1.00 75.31 C ATOM 1157 C TYR A 78 7.499 6.140 7.089 1.00 10.43 C ATOM 1158 O TYR A 78 7.509 6.319 8.301 1.00 13.43 O ATOM 1159 CB TYR A 78 6.968 8.171 5.712 1.00 64.21 C ATOM 1160 CG TYR A 78 6.582 9.152 6.787 1.00 72.43 C ATOM 1161 CD1 TYR A 78 7.438 10.186 7.132 1.00 44.45 C ATOM 1162 CD2 TYR A 78 5.377 9.038 7.467 1.00 14.34 C ATOM 1163 CE1 TYR A 78 7.108 11.080 8.122 1.00 45.45 C ATOM 1164 CE2 TYR A 78 5.044 9.930 8.460 1.00 74.33 C ATOM 1165 CZ TYR A 78 5.912 10.947 8.782 1.00 14.21 C ATOM 1166 OH TYR A 78 5.589 11.825 9.781 1.00 73.11 O ATOM 0 H TYR A 78 8.166 6.737 4.120 1.00 23.11 H new ATOM 0 HA TYR A 78 8.832 7.759 6.701 1.00 75.31 H new ATOM 0 HB2 TYR A 78 7.300 8.719 4.830 1.00 64.21 H new ATOM 0 HB3 TYR A 78 6.089 7.597 5.419 1.00 64.21 H new ATOM 0 HD1 TYR A 78 8.380 10.291 6.614 1.00 44.45 H new ATOM 0 HD2 TYR A 78 4.694 8.241 7.214 1.00 14.34 H new ATOM 0 HE1 TYR A 78 7.785 11.881 8.379 1.00 45.45 H new ATOM 0 HE2 TYR A 78 4.105 9.832 8.984 1.00 74.33 H new ATOM 0 HH TYR A 78 4.709 11.595 10.147 1.00 73.11 H new ATOM 1176 N LEU A 79 7.012 5.031 6.520 1.00 64.32 N ATOM 1177 CA LEU A 79 6.466 3.915 7.303 1.00 4.14 C ATOM 1178 C LEU A 79 7.574 3.236 8.124 1.00 14.50 C ATOM 1179 O LEU A 79 7.345 2.848 9.273 1.00 2.14 O ATOM 1180 CB LEU A 79 5.763 2.919 6.345 1.00 73.22 C ATOM 1181 CG LEU A 79 4.867 1.800 6.949 1.00 74.14 C ATOM 1182 CD1 LEU A 79 5.673 0.573 7.343 1.00 63.43 C ATOM 1183 CD2 LEU A 79 4.060 2.307 8.141 1.00 41.42 C ATOM 0 H LEU A 79 6.985 4.882 5.511 1.00 64.32 H new ATOM 0 HA LEU A 79 5.729 4.289 8.014 1.00 4.14 H new ATOM 0 HB2 LEU A 79 5.147 3.501 5.659 1.00 73.22 H new ATOM 0 HB3 LEU A 79 6.536 2.436 5.747 1.00 73.22 H new ATOM 0 HG LEU A 79 4.171 1.506 6.163 1.00 74.14 H new ATOM 0 HD11 LEU A 79 5.006 -0.182 7.760 1.00 63.43 H new ATOM 0 HD12 LEU A 79 6.174 0.169 6.463 1.00 63.43 H new ATOM 0 HD13 LEU A 79 6.418 0.851 8.089 1.00 63.43 H new ATOM 0 HD21 LEU A 79 3.446 1.497 8.536 1.00 41.42 H new ATOM 0 HD22 LEU A 79 4.740 2.659 8.917 1.00 41.42 H new ATOM 0 HD23 LEU A 79 3.417 3.127 7.822 1.00 41.42 H new ATOM 1195 N VAL A 80 8.766 3.117 7.532 1.00 24.40 N ATOM 1196 CA VAL A 80 9.912 2.489 8.195 1.00 41.11 C ATOM 1197 C VAL A 80 10.408 3.324 9.390 1.00 73.04 C ATOM 1198 O VAL A 80 10.687 2.764 10.445 1.00 44.13 O ATOM 1199 CB VAL A 80 11.069 2.214 7.189 1.00 40.24 C ATOM 1200 CG1 VAL A 80 12.275 1.566 7.863 1.00 0.35 C ATOM 1201 CG2 VAL A 80 10.580 1.324 6.056 1.00 4.32 C ATOM 0 H VAL A 80 8.963 3.450 6.588 1.00 24.40 H new ATOM 0 HA VAL A 80 9.570 1.530 8.584 1.00 41.11 H new ATOM 0 HB VAL A 80 11.386 3.178 6.792 1.00 40.24 H new ATOM 0 HG11 VAL A 80 13.056 1.393 7.123 1.00 0.35 H new ATOM 0 HG12 VAL A 80 12.654 2.226 8.643 1.00 0.35 H new ATOM 0 HG13 VAL A 80 11.977 0.615 8.305 1.00 0.35 H new ATOM 0 HG21 VAL A 80 11.398 1.139 5.360 1.00 4.32 H new ATOM 0 HG22 VAL A 80 10.229 0.376 6.464 1.00 4.32 H new ATOM 0 HG23 VAL A 80 9.762 1.818 5.532 1.00 4.32 H new ATOM 1211 N GLU A 81 10.463 4.656 9.256 1.00 11.04 N ATOM 1212 CA GLU A 81 10.905 5.499 10.371 1.00 65.31 C ATOM 1213 C GLU A 81 9.826 5.635 11.457 1.00 51.14 C ATOM 1214 O GLU A 81 10.152 5.869 12.618 1.00 54.03 O ATOM 1215 CB GLU A 81 11.379 6.884 9.902 1.00 1.35 C ATOM 1216 CG GLU A 81 10.363 7.673 9.093 1.00 34.42 C ATOM 1217 CD GLU A 81 10.766 9.111 8.898 1.00 54.03 C ATOM 1218 OE1 GLU A 81 11.736 9.369 8.160 1.00 33.25 O ATOM 1219 OE2 GLU A 81 10.108 9.994 9.474 1.00 0.44 O ATOM 0 H GLU A 81 10.213 5.162 8.407 1.00 11.04 H new ATOM 0 HA GLU A 81 11.761 4.989 10.813 1.00 65.31 H new ATOM 0 HB2 GLU A 81 11.658 7.471 10.777 1.00 1.35 H new ATOM 0 HB3 GLU A 81 12.280 6.758 9.302 1.00 1.35 H new ATOM 0 HG2 GLU A 81 10.234 7.201 8.119 1.00 34.42 H new ATOM 0 HG3 GLU A 81 9.396 7.636 9.596 1.00 34.42 H new ATOM 1226 N LYS A 82 8.550 5.462 11.078 1.00 33.30 N ATOM 1227 CA LYS A 82 7.446 5.509 12.035 1.00 3.01 C ATOM 1228 C LYS A 82 7.360 4.253 12.883 1.00 32.13 C ATOM 1229 O LYS A 82 6.994 4.339 14.057 1.00 3.13 O ATOM 1230 CB LYS A 82 6.105 5.695 11.314 1.00 62.02 C ATOM 1231 CG LYS A 82 5.763 7.139 11.016 1.00 25.43 C ATOM 1232 CD LYS A 82 5.645 7.934 12.298 1.00 63.31 C ATOM 1233 CE LYS A 82 5.224 9.355 12.040 1.00 13.12 C ATOM 1234 NZ LYS A 82 5.222 10.158 13.279 1.00 21.41 N ATOM 0 H LYS A 82 8.263 5.289 10.115 1.00 33.30 H new ATOM 0 HA LYS A 82 7.648 6.359 12.687 1.00 3.01 H new ATOM 0 HB2 LYS A 82 6.127 5.137 10.378 1.00 62.02 H new ATOM 0 HB3 LYS A 82 5.312 5.263 11.925 1.00 62.02 H new ATOM 0 HG2 LYS A 82 6.532 7.577 10.380 1.00 25.43 H new ATOM 0 HG3 LYS A 82 4.825 7.190 10.463 1.00 25.43 H new ATOM 0 HD2 LYS A 82 4.921 7.455 12.957 1.00 63.31 H new ATOM 0 HD3 LYS A 82 6.603 7.928 12.818 1.00 63.31 H new ATOM 0 HE2 LYS A 82 5.899 9.808 11.314 1.00 13.12 H new ATOM 0 HE3 LYS A 82 4.227 9.365 11.599 1.00 13.12 H new ATOM 0 HZ1 LYS A 82 4.754 11.069 13.101 1.00 21.41 H new ATOM 0 HZ2 LYS A 82 4.709 9.645 14.024 1.00 21.41 H new ATOM 0 HZ3 LYS A 82 6.202 10.326 13.585 1.00 21.41 H new ATOM 1248 N GLN A 83 7.706 3.098 12.267 1.00 2.45 N ATOM 1249 CA GLN A 83 7.597 1.757 12.883 1.00 45.44 C ATOM 1250 C GLN A 83 6.146 1.390 13.223 1.00 24.14 C ATOM 1251 O GLN A 83 5.909 0.444 13.965 1.00 13.45 O ATOM 1252 CB GLN A 83 8.478 1.637 14.143 1.00 30.12 C ATOM 1253 CG GLN A 83 9.971 1.612 13.868 1.00 62.44 C ATOM 1254 CD GLN A 83 10.410 0.331 13.197 1.00 53.14 C ATOM 1255 OE1 GLN A 83 10.754 -0.639 13.860 1.00 3.20 O ATOM 1256 NE2 GLN A 83 10.391 0.316 11.884 1.00 72.04 N ATOM 0 H GLN A 83 8.073 3.073 11.316 1.00 2.45 H new ATOM 0 HA GLN A 83 7.958 1.050 12.136 1.00 45.44 H new ATOM 0 HB2 GLN A 83 8.258 2.474 14.806 1.00 30.12 H new ATOM 0 HB3 GLN A 83 8.204 0.727 14.677 1.00 30.12 H new ATOM 0 HG2 GLN A 83 10.236 2.460 13.236 1.00 62.44 H new ATOM 0 HG3 GLN A 83 10.513 1.732 14.806 1.00 62.44 H new ATOM 0 HE21 GLN A 83 10.098 1.146 11.369 1.00 72.04 H new ATOM 0 HE22 GLN A 83 10.670 -0.526 11.380 1.00 72.04 H new ATOM 1265 N ASP A 84 5.182 2.114 12.650 1.00 3.13 N ATOM 1266 CA ASP A 84 3.791 1.995 13.049 1.00 35.14 C ATOM 1267 C ASP A 84 2.863 2.373 11.889 1.00 35.51 C ATOM 1268 O ASP A 84 2.970 3.475 11.340 1.00 61.10 O ATOM 1269 CB ASP A 84 3.525 2.898 14.261 1.00 12.43 C ATOM 1270 CG ASP A 84 2.186 2.631 14.896 1.00 32.33 C ATOM 1271 OD1 ASP A 84 2.061 1.638 15.636 1.00 64.11 O ATOM 1272 OD2 ASP A 84 1.257 3.409 14.655 1.00 31.21 O ATOM 0 H ASP A 84 5.348 2.790 11.905 1.00 3.13 H new ATOM 0 HA ASP A 84 3.589 0.959 13.322 1.00 35.14 H new ATOM 0 HB2 ASP A 84 4.311 2.748 15.001 1.00 12.43 H new ATOM 0 HB3 ASP A 84 3.575 3.942 13.950 1.00 12.43 H new ATOM 1277 N PRO A 85 1.942 1.455 11.503 1.00 41.41 N ATOM 1278 CA PRO A 85 1.037 1.645 10.353 1.00 41.15 C ATOM 1279 C PRO A 85 -0.198 2.527 10.619 1.00 41.53 C ATOM 1280 O PRO A 85 -1.068 2.629 9.757 1.00 53.12 O ATOM 1281 CB PRO A 85 0.589 0.217 10.055 1.00 43.40 C ATOM 1282 CG PRO A 85 0.580 -0.458 11.374 1.00 75.42 C ATOM 1283 CD PRO A 85 1.744 0.120 12.127 1.00 54.20 C ATOM 0 HA PRO A 85 1.550 2.169 9.547 1.00 41.15 H new ATOM 0 HB2 PRO A 85 -0.399 0.200 9.595 1.00 43.40 H new ATOM 0 HB3 PRO A 85 1.272 -0.276 9.363 1.00 43.40 H new ATOM 0 HG2 PRO A 85 -0.357 -0.278 11.901 1.00 75.42 H new ATOM 0 HG3 PRO A 85 0.681 -1.538 11.263 1.00 75.42 H new ATOM 0 HD2 PRO A 85 1.529 0.204 13.192 1.00 54.20 H new ATOM 0 HD3 PRO A 85 2.633 -0.503 12.029 1.00 54.20 H new ATOM 1291 N THR A 86 -0.297 3.150 11.791 1.00 61.33 N ATOM 1292 CA THR A 86 -1.440 4.012 12.074 1.00 33.13 C ATOM 1293 C THR A 86 -1.012 5.392 12.608 1.00 71.12 C ATOM 1294 O THR A 86 -1.855 6.284 12.760 1.00 33.25 O ATOM 1295 CB THR A 86 -2.477 3.312 13.016 1.00 13.20 C ATOM 1296 OG1 THR A 86 -3.629 4.138 13.220 1.00 61.32 O ATOM 1297 CG2 THR A 86 -1.890 2.936 14.363 1.00 14.35 C ATOM 0 H THR A 86 0.385 3.077 12.546 1.00 61.33 H new ATOM 0 HA THR A 86 -1.943 4.191 11.124 1.00 33.13 H new ATOM 0 HB THR A 86 -2.767 2.393 12.507 1.00 13.20 H new ATOM 0 HG1 THR A 86 -3.416 5.062 12.974 1.00 61.32 H new ATOM 0 HG21 THR A 86 -2.655 2.455 14.972 1.00 14.35 H new ATOM 0 HG22 THR A 86 -1.057 2.249 14.218 1.00 14.35 H new ATOM 0 HG23 THR A 86 -1.535 3.834 14.869 1.00 14.35 H new ATOM 1305 N ASP A 87 0.294 5.594 12.844 1.00 13.34 N ATOM 1306 CA ASP A 87 0.788 6.880 13.336 1.00 54.11 C ATOM 1307 C ASP A 87 0.991 7.852 12.176 1.00 3.42 C ATOM 1308 O ASP A 87 2.061 7.914 11.558 1.00 51.42 O ATOM 1309 CB ASP A 87 2.082 6.717 14.156 1.00 4.41 C ATOM 1310 CG ASP A 87 2.490 8.001 14.854 1.00 14.31 C ATOM 1311 OD1 ASP A 87 1.603 8.776 15.264 1.00 55.32 O ATOM 1312 OD2 ASP A 87 3.701 8.249 14.989 1.00 40.13 O ATOM 0 H ASP A 87 1.017 4.888 12.702 1.00 13.34 H new ATOM 0 HA ASP A 87 0.034 7.294 14.005 1.00 54.11 H new ATOM 0 HB2 ASP A 87 1.942 5.932 14.899 1.00 4.41 H new ATOM 0 HB3 ASP A 87 2.888 6.393 13.497 1.00 4.41 H new ATOM 1317 N ILE A 88 -0.079 8.576 11.871 1.00 63.53 N ATOM 1318 CA ILE A 88 -0.115 9.505 10.760 1.00 62.03 C ATOM 1319 C ILE A 88 -1.321 10.444 10.933 1.00 54.14 C ATOM 1320 O ILE A 88 -2.367 10.043 11.457 1.00 11.03 O ATOM 1321 CB ILE A 88 -0.162 8.739 9.388 1.00 23.32 C ATOM 1322 CG1 ILE A 88 -0.011 9.696 8.195 1.00 32.14 C ATOM 1323 CG2 ILE A 88 -1.434 7.903 9.246 1.00 62.43 C ATOM 1324 CD1 ILE A 88 1.341 10.376 8.115 1.00 42.03 C ATOM 0 H ILE A 88 -0.952 8.531 12.396 1.00 63.53 H new ATOM 0 HA ILE A 88 0.796 10.103 10.752 1.00 62.03 H new ATOM 0 HB ILE A 88 0.689 8.058 9.384 1.00 23.32 H new ATOM 0 HG12 ILE A 88 -0.181 9.140 7.273 1.00 32.14 H new ATOM 0 HG13 ILE A 88 -0.787 10.459 8.255 1.00 32.14 H new ATOM 0 HG21 ILE A 88 -1.427 7.390 8.284 1.00 62.43 H new ATOM 0 HG22 ILE A 88 -1.478 7.167 10.049 1.00 62.43 H new ATOM 0 HG23 ILE A 88 -2.306 8.555 9.303 1.00 62.43 H new ATOM 0 HD11 ILE A 88 1.366 11.034 7.246 1.00 42.03 H new ATOM 0 HD12 ILE A 88 1.508 10.962 9.019 1.00 42.03 H new ATOM 0 HD13 ILE A 88 2.123 9.622 8.022 1.00 42.03 H new ATOM 1336 N LYS A 89 -1.149 11.698 10.547 1.00 4.24 N ATOM 1337 CA LYS A 89 -2.219 12.674 10.622 1.00 54.00 C ATOM 1338 C LYS A 89 -2.377 13.358 9.273 1.00 74.24 C ATOM 1339 O LYS A 89 -1.436 13.967 8.750 1.00 53.31 O ATOM 1340 CB LYS A 89 -1.938 13.696 11.730 1.00 70.23 C ATOM 1341 CG LYS A 89 -3.129 14.571 12.085 1.00 31.55 C ATOM 1342 CD LYS A 89 -2.792 15.520 13.221 1.00 75.33 C ATOM 1343 CE LYS A 89 -4.023 16.250 13.736 1.00 21.11 C ATOM 1344 NZ LYS A 89 -4.967 15.334 14.431 1.00 61.42 N ATOM 0 H LYS A 89 -0.272 12.064 10.177 1.00 4.24 H new ATOM 0 HA LYS A 89 -3.152 12.168 10.869 1.00 54.00 H new ATOM 0 HB2 LYS A 89 -1.611 13.165 12.624 1.00 70.23 H new ATOM 0 HB3 LYS A 89 -1.112 14.335 11.419 1.00 70.23 H new ATOM 0 HG2 LYS A 89 -3.438 15.142 11.210 1.00 31.55 H new ATOM 0 HG3 LYS A 89 -3.973 13.943 12.370 1.00 31.55 H new ATOM 0 HD2 LYS A 89 -2.334 14.961 14.037 1.00 75.33 H new ATOM 0 HD3 LYS A 89 -2.055 16.247 12.880 1.00 75.33 H new ATOM 0 HE2 LYS A 89 -3.715 17.040 14.421 1.00 21.11 H new ATOM 0 HE3 LYS A 89 -4.534 16.732 12.902 1.00 21.11 H new ATOM 0 HZ1 LYS A 89 -5.673 15.893 14.952 1.00 61.42 H new ATOM 0 HZ2 LYS A 89 -5.449 14.735 13.730 1.00 61.42 H new ATOM 0 HZ3 LYS A 89 -4.441 14.733 15.097 1.00 61.42 H new ATOM 1358 N TYR A 90 -3.563 13.225 8.702 1.00 4.20 N ATOM 1359 CA TYR A 90 -3.867 13.843 7.423 1.00 14.12 C ATOM 1360 C TYR A 90 -4.650 15.117 7.644 1.00 0.23 C ATOM 1361 O TYR A 90 -5.601 15.134 8.428 1.00 75.11 O ATOM 1362 CB TYR A 90 -4.705 12.918 6.536 1.00 30.20 C ATOM 1363 CG TYR A 90 -4.171 11.516 6.395 1.00 64.43 C ATOM 1364 CD1 TYR A 90 -2.961 11.266 5.765 1.00 4.13 C ATOM 1365 CD2 TYR A 90 -4.884 10.445 6.902 1.00 72.54 C ATOM 1366 CE1 TYR A 90 -2.482 9.981 5.640 1.00 42.10 C ATOM 1367 CE2 TYR A 90 -4.413 9.159 6.786 1.00 1.43 C ATOM 1368 CZ TYR A 90 -3.211 8.932 6.156 1.00 63.00 C ATOM 1369 OH TYR A 90 -2.744 7.652 6.043 1.00 62.24 O ATOM 0 H TYR A 90 -4.333 12.692 9.106 1.00 4.20 H new ATOM 0 HA TYR A 90 -2.919 14.050 6.927 1.00 14.12 H new ATOM 0 HB2 TYR A 90 -5.715 12.867 6.942 1.00 30.20 H new ATOM 0 HB3 TYR A 90 -4.783 13.363 5.544 1.00 30.20 H new ATOM 0 HD1 TYR A 90 -2.387 12.090 5.367 1.00 4.13 H new ATOM 0 HD2 TYR A 90 -5.827 10.622 7.398 1.00 72.54 H new ATOM 0 HE1 TYR A 90 -1.542 9.797 5.141 1.00 42.10 H new ATOM 0 HE2 TYR A 90 -4.982 8.333 7.186 1.00 1.43 H new ATOM 0 HH TYR A 90 -1.769 7.649 6.144 1.00 62.24 H new ATOM 1379 N LYS A 91 -4.264 16.178 6.958 1.00 33.22 N ATOM 1380 CA LYS A 91 -5.045 17.398 6.982 1.00 40.22 C ATOM 1381 C LYS A 91 -5.687 17.609 5.615 1.00 52.14 C ATOM 1382 O LYS A 91 -5.235 18.416 4.798 1.00 42.21 O ATOM 1383 CB LYS A 91 -4.184 18.617 7.418 1.00 1.12 C ATOM 1384 CG LYS A 91 -2.652 18.473 7.260 1.00 42.31 C ATOM 1385 CD LYS A 91 -2.139 18.616 5.818 1.00 42.22 C ATOM 1386 CE LYS A 91 -2.427 19.995 5.238 1.00 75.32 C ATOM 1387 NZ LYS A 91 -1.587 20.302 4.056 1.00 61.03 N ATOM 0 H LYS A 91 -3.422 16.219 6.383 1.00 33.22 H new ATOM 0 HA LYS A 91 -5.836 17.304 7.726 1.00 40.22 H new ATOM 0 HB2 LYS A 91 -4.506 19.485 6.843 1.00 1.12 H new ATOM 0 HB3 LYS A 91 -4.400 18.830 8.465 1.00 1.12 H new ATOM 0 HG2 LYS A 91 -2.164 19.224 7.881 1.00 42.31 H new ATOM 0 HG3 LYS A 91 -2.351 17.498 7.643 1.00 42.31 H new ATOM 0 HD2 LYS A 91 -1.065 18.432 5.797 1.00 42.22 H new ATOM 0 HD3 LYS A 91 -2.605 17.856 5.191 1.00 42.22 H new ATOM 0 HE2 LYS A 91 -3.479 20.055 4.957 1.00 75.32 H new ATOM 0 HE3 LYS A 91 -2.258 20.751 6.005 1.00 75.32 H new ATOM 0 HZ1 LYS A 91 -1.773 21.276 3.741 1.00 61.03 H new ATOM 0 HZ2 LYS A 91 -0.583 20.206 4.309 1.00 61.03 H new ATOM 0 HZ3 LYS A 91 -1.815 19.640 3.287 1.00 61.03 H new ATOM 1401 N ASP A 92 -6.743 16.842 5.370 1.00 4.25 N ATOM 1402 CA ASP A 92 -7.493 16.906 4.131 1.00 34.02 C ATOM 1403 C ASP A 92 -8.850 16.245 4.379 1.00 1.44 C ATOM 1404 O ASP A 92 -9.118 15.793 5.498 1.00 22.23 O ATOM 1405 CB ASP A 92 -6.685 16.154 3.056 1.00 14.13 C ATOM 1406 CG ASP A 92 -7.100 16.422 1.634 1.00 74.52 C ATOM 1407 OD1 ASP A 92 -6.788 17.503 1.108 1.00 22.41 O ATOM 1408 OD2 ASP A 92 -7.700 15.528 1.024 1.00 64.45 O ATOM 0 H ASP A 92 -7.102 16.155 6.033 1.00 4.25 H new ATOM 0 HA ASP A 92 -7.657 17.929 3.793 1.00 34.02 H new ATOM 0 HB2 ASP A 92 -5.633 16.417 3.166 1.00 14.13 H new ATOM 0 HB3 ASP A 92 -6.767 15.084 3.246 1.00 14.13 H new ATOM 1413 N ASN A 93 -9.702 16.188 3.364 1.00 53.11 N ATOM 1414 CA ASN A 93 -10.977 15.483 3.467 1.00 15.33 C ATOM 1415 C ASN A 93 -10.861 14.066 2.894 1.00 5.24 C ATOM 1416 O ASN A 93 -11.826 13.302 2.905 1.00 53.23 O ATOM 1417 CB ASN A 93 -12.085 16.250 2.735 1.00 52.43 C ATOM 1418 CG ASN A 93 -12.243 17.679 3.220 1.00 35.31 C ATOM 1419 OD1 ASN A 93 -12.944 17.939 4.191 1.00 45.22 O ATOM 1420 ND2 ASN A 93 -11.614 18.617 2.527 1.00 53.22 N ATOM 0 H ASN A 93 -9.534 16.622 2.456 1.00 53.11 H new ATOM 0 HA ASN A 93 -11.236 15.416 4.524 1.00 15.33 H new ATOM 0 HB2 ASN A 93 -11.868 16.258 1.667 1.00 52.43 H new ATOM 0 HB3 ASN A 93 -13.030 15.722 2.865 1.00 52.43 H new ATOM 0 HD21 ASN A 93 -11.704 19.597 2.796 1.00 53.22 H new ATOM 0 HD22 ASN A 93 -11.040 18.359 1.725 1.00 53.22 H new ATOM 1427 N ASP A 94 -9.671 13.718 2.406 1.00 12.53 N ATOM 1428 CA ASP A 94 -9.419 12.396 1.853 1.00 53.22 C ATOM 1429 C ASP A 94 -8.330 11.713 2.669 1.00 15.24 C ATOM 1430 O ASP A 94 -8.580 10.712 3.331 1.00 54.41 O ATOM 1431 CB ASP A 94 -8.974 12.483 0.384 1.00 72.10 C ATOM 1432 CG ASP A 94 -9.294 11.230 -0.405 1.00 52.32 C ATOM 1433 OD1 ASP A 94 -9.038 10.117 0.084 1.00 55.23 O ATOM 1434 OD2 ASP A 94 -9.810 11.361 -1.527 1.00 41.24 O ATOM 0 H ASP A 94 -8.864 14.341 2.384 1.00 12.53 H new ATOM 0 HA ASP A 94 -10.344 11.821 1.897 1.00 53.22 H new ATOM 0 HB2 ASP A 94 -9.460 13.337 -0.087 1.00 72.10 H new ATOM 0 HB3 ASP A 94 -7.900 12.666 0.345 1.00 72.10 H new ATOM 1439 N GLY A 95 -7.135 12.295 2.640 1.00 72.14 N ATOM 1440 CA GLY A 95 -5.990 11.674 3.262 1.00 15.12 C ATOM 1441 C GLY A 95 -4.678 12.226 2.751 1.00 13.41 C ATOM 1442 O GLY A 95 -3.814 11.470 2.327 1.00 21.35 O ATOM 0 H GLY A 95 -6.943 13.191 2.193 1.00 72.14 H new ATOM 0 HA2 GLY A 95 -6.045 11.818 4.341 1.00 15.12 H new ATOM 0 HA3 GLY A 95 -6.022 10.599 3.082 1.00 15.12 H new ATOM 1446 N HIS A 96 -4.519 13.543 2.795 1.00 60.34 N ATOM 1447 CA HIS A 96 -3.272 14.174 2.375 1.00 14.45 C ATOM 1448 C HIS A 96 -2.429 14.551 3.577 1.00 12.14 C ATOM 1449 O HIS A 96 -2.896 15.224 4.493 1.00 43.32 O ATOM 1450 CB HIS A 96 -3.535 15.400 1.495 1.00 10.41 C ATOM 1451 CG HIS A 96 -3.834 15.053 0.065 1.00 51.25 C ATOM 1452 ND1 HIS A 96 -4.860 15.621 -0.654 1.00 21.31 N ATOM 1453 CD2 HIS A 96 -3.248 14.163 -0.768 1.00 71.03 C ATOM 1454 CE1 HIS A 96 -4.894 15.091 -1.860 1.00 72.45 C ATOM 1455 NE2 HIS A 96 -3.928 14.206 -1.958 1.00 61.44 N ATOM 0 H HIS A 96 -5.235 14.194 3.116 1.00 60.34 H new ATOM 0 HA HIS A 96 -2.719 13.448 1.779 1.00 14.45 H new ATOM 0 HB2 HIS A 96 -4.373 15.962 1.908 1.00 10.41 H new ATOM 0 HB3 HIS A 96 -2.665 16.055 1.528 1.00 10.41 H new ATOM 0 HD2 HIS A 96 -2.401 13.534 -0.538 1.00 71.03 H new ATOM 0 HE1 HIS A 96 -5.599 15.342 -2.639 1.00 72.45 H new ATOM 0 HE2 HIS A 96 -3.718 13.644 -2.783 1.00 61.44 H new ATOM 1464 N THR A 97 -1.186 14.114 3.551 1.00 1.23 N ATOM 1465 CA THR A 97 -0.274 14.305 4.663 1.00 43.10 C ATOM 1466 C THR A 97 0.785 15.349 4.317 1.00 23.41 C ATOM 1467 O THR A 97 1.331 15.371 3.209 1.00 60.31 O ATOM 1468 CB THR A 97 0.380 12.960 5.095 1.00 44.33 C ATOM 1469 OG1 THR A 97 1.420 13.178 6.058 1.00 0.13 O ATOM 1470 CG2 THR A 97 0.935 12.192 3.904 1.00 65.15 C ATOM 0 H THR A 97 -0.779 13.616 2.759 1.00 1.23 H new ATOM 0 HA THR A 97 -0.849 14.675 5.512 1.00 43.10 H new ATOM 0 HB THR A 97 -0.407 12.359 5.551 1.00 44.33 H new ATOM 0 HG1 THR A 97 2.173 12.581 5.867 1.00 0.13 H new ATOM 0 HG21 THR A 97 1.383 11.260 4.249 1.00 65.15 H new ATOM 0 HG22 THR A 97 0.128 11.971 3.206 1.00 65.15 H new ATOM 0 HG23 THR A 97 1.693 12.795 3.403 1.00 65.15 H new ATOM 1478 N ASP A 98 1.057 16.222 5.277 1.00 5.13 N ATOM 1479 CA ASP A 98 2.022 17.299 5.094 1.00 12.22 C ATOM 1480 C ASP A 98 3.430 16.858 5.513 1.00 74.35 C ATOM 1481 O ASP A 98 4.415 17.561 5.286 1.00 71.32 O ATOM 1482 CB ASP A 98 1.572 18.510 5.909 1.00 34.35 C ATOM 1483 CG ASP A 98 1.968 19.820 5.276 1.00 23.34 C ATOM 1484 OD1 ASP A 98 1.391 20.163 4.230 1.00 72.13 O ATOM 1485 OD2 ASP A 98 2.830 20.519 5.829 1.00 0.15 O ATOM 0 H ASP A 98 0.619 16.205 6.198 1.00 5.13 H new ATOM 0 HA ASP A 98 2.066 17.564 4.038 1.00 12.22 H new ATOM 0 HB2 ASP A 98 0.489 18.481 6.026 1.00 34.35 H new ATOM 0 HB3 ASP A 98 2.002 18.450 6.909 1.00 34.35 H new ATOM 1490 N ALA A 99 3.511 15.667 6.102 1.00 44.40 N ATOM 1491 CA ALA A 99 4.756 15.149 6.645 1.00 54.42 C ATOM 1492 C ALA A 99 5.545 14.351 5.609 1.00 32.02 C ATOM 1493 O ALA A 99 6.773 14.334 5.645 1.00 3.43 O ATOM 1494 CB ALA A 99 4.464 14.307 7.869 1.00 63.41 C ATOM 0 H ALA A 99 2.716 15.038 6.214 1.00 44.40 H new ATOM 0 HA ALA A 99 5.380 15.996 6.930 1.00 54.42 H new ATOM 0 HB1 ALA A 99 5.398 13.919 8.275 1.00 63.41 H new ATOM 0 HB2 ALA A 99 3.967 14.919 8.622 1.00 63.41 H new ATOM 0 HB3 ALA A 99 3.816 13.475 7.592 1.00 63.41 H new ATOM 1500 N ILE A 100 4.838 13.680 4.695 1.00 71.13 N ATOM 1501 CA ILE A 100 5.487 12.965 3.591 1.00 72.41 C ATOM 1502 C ILE A 100 5.767 13.934 2.426 1.00 3.45 C ATOM 1503 O ILE A 100 6.752 13.766 1.699 1.00 42.43 O ATOM 1504 CB ILE A 100 4.632 11.741 3.141 1.00 21.10 C ATOM 1505 CG1 ILE A 100 4.412 10.808 4.344 1.00 11.21 C ATOM 1506 CG2 ILE A 100 5.302 10.980 1.996 1.00 61.30 C ATOM 1507 CD1 ILE A 100 3.548 9.593 4.068 1.00 55.43 C ATOM 0 H ILE A 100 3.820 13.617 4.697 1.00 71.13 H new ATOM 0 HA ILE A 100 6.444 12.573 3.936 1.00 72.41 H new ATOM 0 HB ILE A 100 3.672 12.104 2.774 1.00 21.10 H new ATOM 0 HG12 ILE A 100 5.384 10.469 4.703 1.00 11.21 H new ATOM 0 HG13 ILE A 100 3.957 11.382 5.151 1.00 11.21 H new ATOM 0 HG21 ILE A 100 4.679 10.134 1.708 1.00 61.30 H new ATOM 0 HG22 ILE A 100 5.428 11.645 1.142 1.00 61.30 H new ATOM 0 HG23 ILE A 100 6.277 10.618 2.321 1.00 61.30 H new ATOM 0 HD11 ILE A 100 3.453 9.000 4.977 1.00 55.43 H new ATOM 0 HD12 ILE A 100 2.560 9.916 3.741 1.00 55.43 H new ATOM 0 HD13 ILE A 100 4.009 8.989 3.287 1.00 55.43 H new ATOM 1519 N SER A 101 4.914 14.978 2.334 1.00 15.20 N ATOM 1520 CA SER A 101 5.035 16.113 1.383 1.00 60.22 C ATOM 1521 C SER A 101 4.792 15.746 -0.088 1.00 15.14 C ATOM 1522 O SER A 101 3.764 16.121 -0.657 1.00 43.42 O ATOM 1523 CB SER A 101 6.382 16.840 1.552 1.00 70.24 C ATOM 1524 OG SER A 101 6.556 17.285 2.888 1.00 20.30 O ATOM 0 H SER A 101 4.095 15.060 2.937 1.00 15.20 H new ATOM 0 HA SER A 101 4.224 16.791 1.649 1.00 60.22 H new ATOM 0 HB2 SER A 101 7.197 16.170 1.279 1.00 70.24 H new ATOM 0 HB3 SER A 101 6.428 17.691 0.873 1.00 70.24 H new ATOM 0 HG SER A 101 5.701 17.233 3.364 1.00 20.30 H new ATOM 1530 N GLY A 102 5.733 15.005 -0.683 1.00 13.22 N ATOM 1531 CA GLY A 102 5.707 14.680 -2.110 1.00 71.22 C ATOM 1532 C GLY A 102 4.654 13.667 -2.519 1.00 13.23 C ATOM 1533 O GLY A 102 4.498 13.396 -3.710 1.00 11.15 O ATOM 0 H GLY A 102 6.534 14.614 -0.187 1.00 13.22 H new ATOM 0 HA2 GLY A 102 5.544 15.599 -2.673 1.00 71.22 H new ATOM 0 HA3 GLY A 102 6.687 14.299 -2.398 1.00 71.22 H new ATOM 1537 N ALA A 103 3.941 13.103 -1.550 1.00 70.21 N ATOM 1538 CA ALA A 103 2.832 12.211 -1.833 1.00 63.02 C ATOM 1539 C ALA A 103 1.578 13.020 -2.165 1.00 55.34 C ATOM 1540 O ALA A 103 0.876 13.517 -1.277 1.00 52.33 O ATOM 1541 CB ALA A 103 2.594 11.282 -0.662 1.00 52.30 C ATOM 0 H ALA A 103 4.116 13.252 -0.556 1.00 70.21 H new ATOM 0 HA ALA A 103 3.078 11.599 -2.701 1.00 63.02 H new ATOM 0 HB1 ALA A 103 1.759 10.618 -0.888 1.00 52.30 H new ATOM 0 HB2 ALA A 103 3.490 10.689 -0.480 1.00 52.30 H new ATOM 0 HB3 ALA A 103 2.361 11.869 0.226 1.00 52.30 H new ATOM 1547 N THR A 104 1.334 13.169 -3.465 1.00 34.43 N ATOM 1548 CA THR A 104 0.223 13.973 -3.972 1.00 73.51 C ATOM 1549 C THR A 104 -1.078 13.175 -4.026 1.00 12.02 C ATOM 1550 O THR A 104 -2.152 13.739 -4.220 1.00 50.02 O ATOM 1551 CB THR A 104 0.529 14.541 -5.375 1.00 72.01 C ATOM 1552 OG1 THR A 104 0.810 13.478 -6.296 1.00 21.35 O ATOM 1553 CG2 THR A 104 1.710 15.496 -5.331 1.00 71.14 C ATOM 0 H THR A 104 1.899 12.737 -4.196 1.00 34.43 H new ATOM 0 HA THR A 104 0.099 14.799 -3.272 1.00 73.51 H new ATOM 0 HB THR A 104 -0.352 15.087 -5.711 1.00 72.01 H new ATOM 0 HG1 THR A 104 1.624 13.010 -6.017 1.00 21.35 H new ATOM 0 HG21 THR A 104 1.904 15.881 -6.332 1.00 71.14 H new ATOM 0 HG22 THR A 104 1.483 16.325 -4.661 1.00 71.14 H new ATOM 0 HG23 THR A 104 2.592 14.968 -4.969 1.00 71.14 H new ATOM 1561 N ILE A 105 -0.963 11.862 -3.860 1.00 42.13 N ATOM 1562 CA ILE A 105 -2.109 10.976 -3.799 1.00 43.43 C ATOM 1563 C ILE A 105 -2.513 10.786 -2.324 1.00 45.32 C ATOM 1564 O ILE A 105 -1.704 11.048 -1.421 1.00 33.14 O ATOM 1565 CB ILE A 105 -1.757 9.632 -4.521 1.00 50.22 C ATOM 1566 CG1 ILE A 105 -3.032 8.800 -4.859 1.00 24.25 C ATOM 1567 CG2 ILE A 105 -0.717 8.827 -3.731 1.00 41.13 C ATOM 1568 CD1 ILE A 105 -3.356 7.619 -3.945 1.00 31.00 C ATOM 0 H ILE A 105 -0.067 11.385 -3.764 1.00 42.13 H new ATOM 0 HA ILE A 105 -2.969 11.399 -4.318 1.00 43.43 H new ATOM 0 HB ILE A 105 -1.298 9.884 -5.477 1.00 50.22 H new ATOM 0 HG12 ILE A 105 -3.887 9.475 -4.855 1.00 24.25 H new ATOM 0 HG13 ILE A 105 -2.929 8.422 -5.876 1.00 24.25 H new ATOM 0 HG21 ILE A 105 -0.496 7.900 -4.260 1.00 41.13 H new ATOM 0 HG22 ILE A 105 0.196 9.414 -3.629 1.00 41.13 H new ATOM 0 HG23 ILE A 105 -1.112 8.595 -2.742 1.00 41.13 H new ATOM 0 HD11 ILE A 105 -4.265 7.129 -4.292 1.00 31.00 H new ATOM 0 HD12 ILE A 105 -2.530 6.907 -3.963 1.00 31.00 H new ATOM 0 HD13 ILE A 105 -3.504 7.977 -2.926 1.00 31.00 H new ATOM 1580 N LYS A 106 -3.776 10.417 -2.083 1.00 23.31 N ATOM 1581 CA LYS A 106 -4.254 10.086 -0.744 1.00 43.52 C ATOM 1582 C LYS A 106 -3.516 8.870 -0.152 1.00 13.11 C ATOM 1583 O LYS A 106 -3.612 7.736 -0.627 1.00 14.24 O ATOM 1584 CB LYS A 106 -5.791 9.889 -0.690 1.00 34.30 C ATOM 1585 CG LYS A 106 -6.403 8.867 -1.662 1.00 24.23 C ATOM 1586 CD LYS A 106 -6.662 9.459 -3.042 1.00 34.23 C ATOM 1587 CE LYS A 106 -7.434 8.508 -3.943 1.00 52.23 C ATOM 1588 NZ LYS A 106 -8.858 8.404 -3.538 1.00 33.33 N ATOM 0 H LYS A 106 -4.489 10.341 -2.809 1.00 23.31 H new ATOM 0 HA LYS A 106 -4.023 10.949 -0.120 1.00 43.52 H new ATOM 0 HB2 LYS A 106 -6.058 9.592 0.324 1.00 34.30 H new ATOM 0 HB3 LYS A 106 -6.262 10.855 -0.874 1.00 34.30 H new ATOM 0 HG2 LYS A 106 -5.732 8.013 -1.756 1.00 24.23 H new ATOM 0 HG3 LYS A 106 -7.340 8.493 -1.249 1.00 24.23 H new ATOM 0 HD2 LYS A 106 -7.220 10.389 -2.937 1.00 34.23 H new ATOM 0 HD3 LYS A 106 -5.711 9.709 -3.512 1.00 34.23 H new ATOM 0 HE2 LYS A 106 -7.373 8.854 -4.975 1.00 52.23 H new ATOM 0 HE3 LYS A 106 -6.973 7.521 -3.910 1.00 52.23 H new ATOM 0 HZ1 LYS A 106 -9.379 7.843 -4.242 1.00 33.33 H new ATOM 0 HZ2 LYS A 106 -8.922 7.940 -2.609 1.00 33.33 H new ATOM 0 HZ3 LYS A 106 -9.272 9.356 -3.479 1.00 33.33 H new ATOM 1602 N VAL A 107 -2.791 9.158 0.920 1.00 65.25 N ATOM 1603 CA VAL A 107 -1.958 8.194 1.637 1.00 3.43 C ATOM 1604 C VAL A 107 -2.809 7.398 2.649 1.00 73.22 C ATOM 1605 O VAL A 107 -2.340 6.433 3.266 1.00 51.33 O ATOM 1606 CB VAL A 107 -0.787 8.972 2.320 1.00 64.53 C ATOM 1607 CG1 VAL A 107 0.112 8.112 3.180 1.00 22.05 C ATOM 1608 CG2 VAL A 107 0.067 9.623 1.266 1.00 64.14 C ATOM 0 H VAL A 107 -2.763 10.092 1.328 1.00 65.25 H new ATOM 0 HA VAL A 107 -1.534 7.462 0.950 1.00 3.43 H new ATOM 0 HB VAL A 107 -1.262 9.702 2.975 1.00 64.53 H new ATOM 0 HG11 VAL A 107 0.897 8.729 3.616 1.00 22.05 H new ATOM 0 HG12 VAL A 107 -0.475 7.655 3.977 1.00 22.05 H new ATOM 0 HG13 VAL A 107 0.562 7.331 2.568 1.00 22.05 H new ATOM 0 HG21 VAL A 107 0.883 10.165 1.743 1.00 64.14 H new ATOM 0 HG22 VAL A 107 0.476 8.858 0.606 1.00 64.14 H new ATOM 0 HG23 VAL A 107 -0.539 10.318 0.685 1.00 64.14 H new ATOM 1618 N LYS A 108 -4.097 7.774 2.750 1.00 24.21 N ATOM 1619 CA LYS A 108 -5.048 7.120 3.649 1.00 13.10 C ATOM 1620 C LYS A 108 -5.180 5.630 3.326 1.00 41.41 C ATOM 1621 O LYS A 108 -5.312 4.822 4.231 1.00 33.30 O ATOM 1622 CB LYS A 108 -6.425 7.781 3.577 1.00 72.14 C ATOM 1623 CG LYS A 108 -7.323 7.380 4.735 1.00 63.24 C ATOM 1624 CD LYS A 108 -8.778 7.697 4.476 1.00 44.22 C ATOM 1625 CE LYS A 108 -9.647 7.254 5.641 1.00 15.12 C ATOM 1626 NZ LYS A 108 -9.570 5.785 5.872 1.00 3.22 N ATOM 0 H LYS A 108 -4.501 8.539 2.209 1.00 24.21 H new ATOM 0 HA LYS A 108 -4.658 7.229 4.661 1.00 13.10 H new ATOM 0 HB2 LYS A 108 -6.305 8.864 3.573 1.00 72.14 H new ATOM 0 HB3 LYS A 108 -6.906 7.510 2.637 1.00 72.14 H new ATOM 0 HG2 LYS A 108 -7.215 6.311 4.921 1.00 63.24 H new ATOM 0 HG3 LYS A 108 -6.997 7.896 5.638 1.00 63.24 H new ATOM 0 HD2 LYS A 108 -8.898 8.768 4.315 1.00 44.22 H new ATOM 0 HD3 LYS A 108 -9.106 7.199 3.563 1.00 44.22 H new ATOM 0 HE2 LYS A 108 -9.336 7.779 6.544 1.00 15.12 H new ATOM 0 HE3 LYS A 108 -10.682 7.536 5.448 1.00 15.12 H new ATOM 0 HZ1 LYS A 108 -10.528 5.404 6.005 1.00 3.22 H new ATOM 0 HZ2 LYS A 108 -9.127 5.327 5.050 1.00 3.22 H new ATOM 0 HZ3 LYS A 108 -9.001 5.597 6.722 1.00 3.22 H new ATOM 1640 N LYS A 109 -5.082 5.288 2.033 1.00 3.51 N ATOM 1641 CA LYS A 109 -5.140 3.902 1.568 1.00 43.34 C ATOM 1642 C LYS A 109 -3.892 3.106 1.978 1.00 13.32 C ATOM 1643 O LYS A 109 -4.011 1.949 2.327 1.00 13.42 O ATOM 1644 CB LYS A 109 -5.324 3.891 0.042 1.00 34.42 C ATOM 1645 CG LYS A 109 -5.338 2.506 -0.613 1.00 62.12 C ATOM 1646 CD LYS A 109 -5.727 2.582 -2.086 1.00 11.02 C ATOM 1647 CE LYS A 109 -4.724 3.405 -2.878 1.00 42.32 C ATOM 1648 NZ LYS A 109 -5.085 3.537 -4.304 1.00 34.11 N ATOM 0 H LYS A 109 -4.960 5.968 1.283 1.00 3.51 H new ATOM 0 HA LYS A 109 -5.991 3.412 2.042 1.00 43.34 H new ATOM 0 HB2 LYS A 109 -6.260 4.396 -0.197 1.00 34.42 H new ATOM 0 HB3 LYS A 109 -4.522 4.477 -0.407 1.00 34.42 H new ATOM 0 HG2 LYS A 109 -4.353 2.050 -0.520 1.00 62.12 H new ATOM 0 HG3 LYS A 109 -6.039 1.861 -0.084 1.00 62.12 H new ATOM 0 HD2 LYS A 109 -5.785 1.576 -2.502 1.00 11.02 H new ATOM 0 HD3 LYS A 109 -6.719 3.024 -2.180 1.00 11.02 H new ATOM 0 HE2 LYS A 109 -4.646 4.398 -2.435 1.00 42.32 H new ATOM 0 HE3 LYS A 109 -3.740 2.943 -2.799 1.00 42.32 H new ATOM 0 HZ1 LYS A 109 -4.444 4.215 -4.763 1.00 34.11 H new ATOM 0 HZ2 LYS A 109 -5.001 2.611 -4.770 1.00 34.11 H new ATOM 0 HZ3 LYS A 109 -6.064 3.877 -4.384 1.00 34.11 H new ATOM 1662 N PHE A 110 -2.708 3.732 1.946 1.00 52.11 N ATOM 1663 CA PHE A 110 -1.456 3.057 2.326 1.00 61.40 C ATOM 1664 C PHE A 110 -1.479 2.607 3.786 1.00 71.10 C ATOM 1665 O PHE A 110 -1.243 1.439 4.070 1.00 55.24 O ATOM 1666 CB PHE A 110 -0.236 3.969 2.073 1.00 2.02 C ATOM 1667 CG PHE A 110 1.076 3.394 2.554 1.00 45.33 C ATOM 1668 CD1 PHE A 110 1.785 2.485 1.789 1.00 4.14 C ATOM 1669 CD2 PHE A 110 1.585 3.758 3.791 1.00 3.13 C ATOM 1670 CE1 PHE A 110 2.974 1.948 2.255 1.00 22.14 C ATOM 1671 CE2 PHE A 110 2.765 3.234 4.257 1.00 72.51 C ATOM 1672 CZ PHE A 110 3.461 2.326 3.492 1.00 52.54 C ATOM 0 H PHE A 110 -2.589 4.704 1.661 1.00 52.11 H new ATOM 0 HA PHE A 110 -1.367 2.170 1.699 1.00 61.40 H new ATOM 0 HB2 PHE A 110 -0.162 4.170 1.004 1.00 2.02 H new ATOM 0 HB3 PHE A 110 -0.403 4.926 2.567 1.00 2.02 H new ATOM 0 HD1 PHE A 110 1.408 2.192 0.820 1.00 4.14 H new ATOM 0 HD2 PHE A 110 1.043 4.467 4.399 1.00 3.13 H new ATOM 0 HE1 PHE A 110 3.519 1.236 1.653 1.00 22.14 H new ATOM 0 HE2 PHE A 110 3.146 3.534 5.222 1.00 72.51 H new ATOM 0 HZ PHE A 110 4.387 1.909 3.858 1.00 52.54 H new ATOM 1682 N PHE A 111 -1.760 3.547 4.693 1.00 42.41 N ATOM 1683 CA PHE A 111 -1.747 3.261 6.126 1.00 73.43 C ATOM 1684 C PHE A 111 -2.934 2.397 6.545 1.00 63.23 C ATOM 1685 O PHE A 111 -2.821 1.636 7.495 1.00 74.43 O ATOM 1686 CB PHE A 111 -1.681 4.553 6.944 1.00 1.32 C ATOM 1687 CG PHE A 111 -0.290 5.157 7.033 1.00 4.22 C ATOM 1688 CD1 PHE A 111 0.573 4.798 8.055 1.00 32.12 C ATOM 1689 CD2 PHE A 111 0.148 6.091 6.110 1.00 55.20 C ATOM 1690 CE1 PHE A 111 1.838 5.348 8.152 1.00 52.21 C ATOM 1691 CE2 PHE A 111 1.415 6.644 6.200 1.00 20.44 C ATOM 1692 CZ PHE A 111 2.257 6.274 7.225 1.00 4.12 C ATOM 0 H PHE A 111 -1.999 4.511 4.458 1.00 42.41 H new ATOM 0 HA PHE A 111 -0.845 2.686 6.334 1.00 73.43 H new ATOM 0 HB2 PHE A 111 -2.357 5.286 6.502 1.00 1.32 H new ATOM 0 HB3 PHE A 111 -2.044 4.352 7.952 1.00 1.32 H new ATOM 0 HD1 PHE A 111 0.252 4.075 8.790 1.00 32.12 H new ATOM 0 HD2 PHE A 111 -0.508 6.393 5.307 1.00 55.20 H new ATOM 0 HE1 PHE A 111 2.496 5.051 8.955 1.00 52.21 H new ATOM 0 HE2 PHE A 111 1.742 7.365 5.466 1.00 20.44 H new ATOM 0 HZ PHE A 111 3.243 6.709 7.301 1.00 4.12 H new ATOM 1702 N ASP A 112 -4.046 2.491 5.800 1.00 74.20 N ATOM 1703 CA ASP A 112 -5.238 1.651 6.015 1.00 21.24 C ATOM 1704 C ASP A 112 -4.896 0.189 5.770 1.00 41.21 C ATOM 1705 O ASP A 112 -5.225 -0.693 6.562 1.00 64.40 O ATOM 1706 CB ASP A 112 -6.329 2.031 5.014 1.00 62.54 C ATOM 1707 CG ASP A 112 -7.733 1.826 5.533 1.00 32.34 C ATOM 1708 OD1 ASP A 112 -8.217 0.681 5.516 1.00 2.41 O ATOM 1709 OD2 ASP A 112 -8.370 2.826 5.929 1.00 32.02 O ATOM 0 H ASP A 112 -4.146 3.152 5.030 1.00 74.20 H new ATOM 0 HA ASP A 112 -5.579 1.803 7.039 1.00 21.24 H new ATOM 0 HB2 ASP A 112 -6.204 3.077 4.735 1.00 62.54 H new ATOM 0 HB3 ASP A 112 -6.198 1.441 4.107 1.00 62.54 H new ATOM 1714 N LEU A 113 -4.190 -0.018 4.667 1.00 23.53 N ATOM 1715 CA LEU A 113 -3.843 -1.330 4.168 1.00 5.20 C ATOM 1716 C LEU A 113 -2.687 -1.953 4.932 1.00 71.11 C ATOM 1717 O LEU A 113 -2.585 -3.169 5.011 1.00 55.24 O ATOM 1718 CB LEU A 113 -3.503 -1.224 2.682 1.00 0.05 C ATOM 1719 CG LEU A 113 -4.626 -1.555 1.713 1.00 20.45 C ATOM 1720 CD1 LEU A 113 -5.073 -2.942 2.000 1.00 20.10 C ATOM 1721 CD2 LEU A 113 -5.804 -0.599 1.816 1.00 52.52 C ATOM 0 H LEU A 113 -3.837 0.742 4.085 1.00 23.53 H new ATOM 0 HA LEU A 113 -4.702 -1.985 4.312 1.00 5.20 H new ATOM 0 HB2 LEU A 113 -3.164 -0.208 2.480 1.00 0.05 H new ATOM 0 HB3 LEU A 113 -2.664 -1.888 2.474 1.00 0.05 H new ATOM 0 HG LEU A 113 -4.245 -1.456 0.697 1.00 20.45 H new ATOM 0 HD11 LEU A 113 -5.881 -3.212 1.320 1.00 20.10 H new ATOM 0 HD12 LEU A 113 -4.238 -3.629 1.863 1.00 20.10 H new ATOM 0 HD13 LEU A 113 -5.428 -3.004 3.029 1.00 20.10 H new ATOM 0 HD21 LEU A 113 -6.572 -0.889 1.099 1.00 52.52 H new ATOM 0 HD22 LEU A 113 -6.216 -0.637 2.824 1.00 52.52 H new ATOM 0 HD23 LEU A 113 -5.469 0.415 1.599 1.00 52.52 H new ATOM 1733 N ALA A 114 -1.812 -1.106 5.467 1.00 34.45 N ATOM 1734 CA ALA A 114 -0.751 -1.539 6.366 1.00 74.24 C ATOM 1735 C ALA A 114 -1.316 -2.039 7.704 1.00 50.33 C ATOM 1736 O ALA A 114 -0.773 -2.963 8.302 1.00 10.20 O ATOM 1737 CB ALA A 114 0.228 -0.400 6.577 1.00 61.13 C ATOM 0 H ALA A 114 -1.820 -0.102 5.289 1.00 34.45 H new ATOM 0 HA ALA A 114 -0.227 -2.379 5.909 1.00 74.24 H new ATOM 0 HB1 ALA A 114 1.022 -0.723 7.250 1.00 61.13 H new ATOM 0 HB2 ALA A 114 0.659 -0.109 5.619 1.00 61.13 H new ATOM 0 HB3 ALA A 114 -0.293 0.452 7.014 1.00 61.13 H new ATOM 1743 N GLN A 115 -2.435 -1.442 8.140 1.00 32.02 N ATOM 1744 CA GLN A 115 -3.149 -1.879 9.349 1.00 54.34 C ATOM 1745 C GLN A 115 -3.889 -3.197 9.108 1.00 11.52 C ATOM 1746 O GLN A 115 -4.022 -4.015 10.016 1.00 10.31 O ATOM 1747 CB GLN A 115 -4.148 -0.815 9.796 1.00 12.40 C ATOM 1748 CG GLN A 115 -3.503 0.387 10.453 1.00 51.43 C ATOM 1749 CD GLN A 115 -4.488 1.511 10.692 1.00 10.43 C ATOM 1750 OE1 GLN A 115 -5.158 1.550 11.714 1.00 21.43 O ATOM 1751 NE2 GLN A 115 -4.560 2.450 9.764 1.00 63.15 N ATOM 0 H GLN A 115 -2.868 -0.648 7.668 1.00 32.02 H new ATOM 0 HA GLN A 115 -2.406 -2.031 10.132 1.00 54.34 H new ATOM 0 HB2 GLN A 115 -4.721 -0.481 8.931 1.00 12.40 H new ATOM 0 HB3 GLN A 115 -4.855 -1.263 10.494 1.00 12.40 H new ATOM 0 HG2 GLN A 115 -3.062 0.085 11.403 1.00 51.43 H new ATOM 0 HG3 GLN A 115 -2.689 0.748 9.824 1.00 51.43 H new ATOM 0 HE21 GLN A 115 -3.985 2.382 8.924 1.00 63.15 H new ATOM 0 HE22 GLN A 115 -5.191 3.242 9.888 1.00 63.15 H new ATOM 1760 N LYS A 116 -4.359 -3.383 7.871 1.00 22.35 N ATOM 1761 CA LYS A 116 -5.038 -4.603 7.439 1.00 74.04 C ATOM 1762 C LYS A 116 -4.053 -5.759 7.235 1.00 5.31 C ATOM 1763 O LYS A 116 -4.429 -6.923 7.323 1.00 4.02 O ATOM 1764 CB LYS A 116 -5.813 -4.330 6.152 1.00 33.02 C ATOM 1765 CG LYS A 116 -7.124 -3.586 6.369 1.00 52.11 C ATOM 1766 CD LYS A 116 -7.644 -2.934 5.089 1.00 50.43 C ATOM 1767 CE LYS A 116 -7.831 -3.923 3.938 1.00 32.43 C ATOM 1768 NZ LYS A 116 -8.865 -4.950 4.203 1.00 12.15 N ATOM 0 H LYS A 116 -4.277 -2.682 7.135 1.00 22.35 H new ATOM 0 HA LYS A 116 -5.731 -4.902 8.225 1.00 74.04 H new ATOM 0 HB2 LYS A 116 -5.184 -3.750 5.477 1.00 33.02 H new ATOM 0 HB3 LYS A 116 -6.022 -5.278 5.657 1.00 33.02 H new ATOM 0 HG2 LYS A 116 -7.873 -4.280 6.750 1.00 52.11 H new ATOM 0 HG3 LYS A 116 -6.982 -2.820 7.131 1.00 52.11 H new ATOM 0 HD2 LYS A 116 -8.597 -2.447 5.299 1.00 50.43 H new ATOM 0 HD3 LYS A 116 -6.949 -2.154 4.779 1.00 50.43 H new ATOM 0 HE2 LYS A 116 -8.100 -3.372 3.037 1.00 32.43 H new ATOM 0 HE3 LYS A 116 -6.881 -4.419 3.737 1.00 32.43 H new ATOM 0 HZ1 LYS A 116 -8.940 -5.586 3.384 1.00 12.15 H new ATOM 0 HZ2 LYS A 116 -8.601 -5.500 5.045 1.00 12.15 H new ATOM 0 HZ3 LYS A 116 -9.781 -4.486 4.366 1.00 12.15 H new ATOM 1782 N ALA A 117 -2.802 -5.431 6.919 1.00 41.40 N ATOM 1783 CA ALA A 117 -1.758 -6.432 6.723 1.00 44.43 C ATOM 1784 C ALA A 117 -1.341 -7.068 8.045 1.00 53.11 C ATOM 1785 O ALA A 117 -1.095 -8.269 8.124 1.00 35.22 O ATOM 1786 CB ALA A 117 -0.561 -5.808 6.031 1.00 63.43 C ATOM 0 H ALA A 117 -2.486 -4.470 6.792 1.00 41.40 H new ATOM 0 HA ALA A 117 -2.161 -7.222 6.090 1.00 44.43 H new ATOM 0 HB1 ALA A 117 0.212 -6.563 5.890 1.00 63.43 H new ATOM 0 HB2 ALA A 117 -0.866 -5.415 5.061 1.00 63.43 H new ATOM 0 HB3 ALA A 117 -0.168 -4.997 6.644 1.00 63.43 H new ATOM 1792 N LEU A 118 -1.320 -6.261 9.092 1.00 45.23 N ATOM 1793 CA LEU A 118 -0.881 -6.709 10.405 1.00 60.54 C ATOM 1794 C LEU A 118 -2.064 -6.904 11.352 1.00 52.15 C ATOM 1795 O LEU A 118 -1.889 -6.982 12.568 1.00 31.34 O ATOM 1796 CB LEU A 118 0.093 -5.685 10.962 1.00 43.05 C ATOM 1797 CG LEU A 118 1.343 -5.494 10.117 1.00 33.12 C ATOM 1798 CD1 LEU A 118 1.755 -4.046 10.149 1.00 42.35 C ATOM 1799 CD2 LEU A 118 2.462 -6.393 10.611 1.00 43.12 C ATOM 0 H LEU A 118 -1.605 -5.282 9.058 1.00 45.23 H new ATOM 0 HA LEU A 118 -0.389 -7.677 10.310 1.00 60.54 H new ATOM 0 HB2 LEU A 118 -0.418 -4.727 11.057 1.00 43.05 H new ATOM 0 HB3 LEU A 118 0.389 -5.989 11.966 1.00 43.05 H new ATOM 0 HG LEU A 118 1.127 -5.773 9.086 1.00 33.12 H new ATOM 0 HD11 LEU A 118 2.651 -3.909 9.543 1.00 42.35 H new ATOM 0 HD12 LEU A 118 0.950 -3.430 9.750 1.00 42.35 H new ATOM 0 HD13 LEU A 118 1.963 -3.750 11.177 1.00 42.35 H new ATOM 0 HD21 LEU A 118 3.348 -6.243 9.995 1.00 43.12 H new ATOM 0 HD22 LEU A 118 2.695 -6.148 11.647 1.00 43.12 H new ATOM 0 HD23 LEU A 118 2.147 -7.435 10.546 1.00 43.12 H new ATOM 1811 N LYS A 119 -3.262 -7.022 10.773 1.00 51.35 N ATOM 1812 CA LYS A 119 -4.499 -7.218 11.539 1.00 14.13 C ATOM 1813 C LYS A 119 -4.545 -8.614 12.181 1.00 1.01 C ATOM 1814 O LYS A 119 -5.172 -8.811 13.219 1.00 71.34 O ATOM 1815 CB LYS A 119 -5.732 -7.002 10.631 1.00 64.51 C ATOM 1816 CG LYS A 119 -6.092 -8.184 9.724 1.00 40.45 C ATOM 1817 CD LYS A 119 -7.290 -7.908 8.831 1.00 14.12 C ATOM 1818 CE LYS A 119 -8.554 -7.604 9.617 1.00 2.21 C ATOM 1819 NZ LYS A 119 -9.734 -7.484 8.728 1.00 23.31 N ATOM 0 H LYS A 119 -3.403 -6.985 9.764 1.00 51.35 H new ATOM 0 HA LYS A 119 -4.517 -6.481 12.342 1.00 14.13 H new ATOM 0 HB2 LYS A 119 -6.591 -6.774 11.261 1.00 64.51 H new ATOM 0 HB3 LYS A 119 -5.554 -6.127 10.006 1.00 64.51 H new ATOM 0 HG2 LYS A 119 -5.232 -8.432 9.102 1.00 40.45 H new ATOM 0 HG3 LYS A 119 -6.301 -9.058 10.342 1.00 40.45 H new ATOM 0 HD2 LYS A 119 -7.063 -7.066 8.177 1.00 14.12 H new ATOM 0 HD3 LYS A 119 -7.466 -8.772 8.190 1.00 14.12 H new ATOM 0 HE2 LYS A 119 -8.727 -8.394 10.348 1.00 2.21 H new ATOM 0 HE3 LYS A 119 -8.422 -6.677 10.175 1.00 2.21 H new ATOM 0 HZ1 LYS A 119 -10.579 -7.276 9.298 1.00 23.31 H new ATOM 0 HZ2 LYS A 119 -9.578 -6.714 8.047 1.00 23.31 H new ATOM 0 HZ3 LYS A 119 -9.874 -8.377 8.215 1.00 23.31 H new ATOM 1833 N ASP A 120 -3.867 -9.559 11.543 1.00 12.11 N ATOM 1834 CA ASP A 120 -3.894 -10.951 11.933 1.00 3.53 C ATOM 1835 C ASP A 120 -2.553 -11.373 12.539 1.00 52.14 C ATOM 1836 O ASP A 120 -2.518 -12.197 13.451 1.00 45.54 O ATOM 1837 CB ASP A 120 -4.243 -11.764 10.679 1.00 61.03 C ATOM 1838 CG ASP A 120 -4.252 -13.262 10.869 1.00 2.35 C ATOM 1839 OD1 ASP A 120 -5.111 -13.771 11.607 1.00 63.33 O ATOM 1840 OD2 ASP A 120 -3.405 -13.932 10.259 1.00 23.52 O ATOM 0 H ASP A 120 -3.278 -9.372 10.732 1.00 12.11 H new ATOM 0 HA ASP A 120 -4.641 -11.127 12.707 1.00 3.53 H new ATOM 0 HB2 ASP A 120 -5.226 -11.452 10.325 1.00 61.03 H new ATOM 0 HB3 ASP A 120 -3.528 -11.517 9.894 1.00 61.03 H new ATOM 1845 N ALA A 121 -1.465 -10.753 12.025 1.00 50.34 N ATOM 1846 CA ALA A 121 -0.053 -11.052 12.381 1.00 30.43 C ATOM 1847 C ALA A 121 0.385 -12.517 12.142 1.00 4.41 C ATOM 1848 O ALA A 121 1.481 -12.916 12.551 1.00 52.11 O ATOM 1849 CB ALA A 121 0.274 -10.611 13.804 1.00 4.42 C ATOM 0 H ALA A 121 -1.545 -10.009 11.331 1.00 50.34 H new ATOM 0 HA ALA A 121 0.535 -10.459 11.680 1.00 30.43 H new ATOM 0 HB1 ALA A 121 1.315 -10.846 14.028 1.00 4.42 H new ATOM 0 HB2 ALA A 121 0.117 -9.536 13.897 1.00 4.42 H new ATOM 0 HB3 ALA A 121 -0.375 -11.135 14.506 1.00 4.42 H new ATOM 1855 N GLU A 122 -0.438 -13.294 11.443 1.00 72.01 N ATOM 1856 CA GLU A 122 -0.095 -14.663 11.080 1.00 2.45 C ATOM 1857 C GLU A 122 -0.025 -14.792 9.559 1.00 14.00 C ATOM 1858 O GLU A 122 0.183 -15.884 9.029 1.00 75.34 O ATOM 1859 CB GLU A 122 -1.139 -15.652 11.632 1.00 11.43 C ATOM 1860 CG GLU A 122 -1.432 -15.528 13.123 1.00 13.34 C ATOM 1861 CD GLU A 122 -0.257 -15.903 13.988 1.00 34.24 C ATOM 1862 OE1 GLU A 122 -0.027 -17.105 14.196 1.00 42.12 O ATOM 1863 OE2 GLU A 122 0.452 -14.999 14.463 1.00 10.41 O ATOM 0 H GLU A 122 -1.356 -12.993 11.115 1.00 72.01 H new ATOM 0 HA GLU A 122 0.876 -14.901 11.514 1.00 2.45 H new ATOM 0 HB2 GLU A 122 -2.071 -15.515 11.083 1.00 11.43 H new ATOM 0 HB3 GLU A 122 -0.796 -16.667 11.429 1.00 11.43 H new ATOM 0 HG2 GLU A 122 -1.727 -14.503 13.345 1.00 13.34 H new ATOM 0 HG3 GLU A 122 -2.280 -16.165 13.375 1.00 13.34 H new ATOM 1870 N LYS A 123 -0.185 -13.659 8.871 1.00 62.43 N ATOM 1871 CA LYS A 123 -0.264 -13.614 7.407 1.00 13.31 C ATOM 1872 C LYS A 123 1.117 -13.725 6.754 1.00 30.23 C ATOM 1873 O LYS A 123 1.786 -12.726 6.479 1.00 3.02 O ATOM 1874 CB LYS A 123 -0.957 -12.324 6.946 1.00 11.32 C ATOM 1875 CG LYS A 123 -2.346 -12.125 7.536 1.00 65.41 C ATOM 1876 CD LYS A 123 -2.987 -10.812 7.095 1.00 2.31 C ATOM 1877 CE LYS A 123 -3.303 -10.788 5.606 1.00 12.13 C ATOM 1878 NZ LYS A 123 -4.207 -11.898 5.202 1.00 34.23 N ATOM 0 H LYS A 123 -0.264 -12.744 9.314 1.00 62.43 H new ATOM 0 HA LYS A 123 -0.853 -14.475 7.090 1.00 13.31 H new ATOM 0 HB2 LYS A 123 -0.333 -11.472 7.215 1.00 11.32 H new ATOM 0 HB3 LYS A 123 -1.033 -12.333 5.859 1.00 11.32 H new ATOM 0 HG2 LYS A 123 -2.986 -12.956 7.238 1.00 65.41 H new ATOM 0 HG3 LYS A 123 -2.281 -12.146 8.624 1.00 65.41 H new ATOM 0 HD2 LYS A 123 -3.905 -10.652 7.660 1.00 2.31 H new ATOM 0 HD3 LYS A 123 -2.317 -9.986 7.334 1.00 2.31 H new ATOM 0 HE2 LYS A 123 -3.766 -9.835 5.350 1.00 12.13 H new ATOM 0 HE3 LYS A 123 -2.375 -10.854 5.039 1.00 12.13 H new ATOM 0 HZ1 LYS A 123 -4.941 -11.533 4.562 1.00 34.23 H new ATOM 0 HZ2 LYS A 123 -3.657 -12.634 4.714 1.00 34.23 H new ATOM 0 HZ3 LYS A 123 -4.656 -12.305 6.047 1.00 34.23 H new ATOM 1892 N LEU A 124 1.544 -14.952 6.519 1.00 33.52 N ATOM 1893 CA LEU A 124 2.820 -15.208 5.887 1.00 72.20 C ATOM 1894 C LEU A 124 2.595 -15.539 4.417 1.00 72.30 C ATOM 1895 O LEU A 124 2.566 -16.711 4.019 1.00 45.01 O ATOM 1896 CB LEU A 124 3.556 -16.351 6.603 1.00 44.11 C ATOM 1897 CG LEU A 124 5.015 -16.077 7.011 1.00 74.05 C ATOM 1898 CD1 LEU A 124 5.579 -17.290 7.730 1.00 42.10 C ATOM 1899 CD2 LEU A 124 5.884 -15.736 5.807 1.00 74.13 C ATOM 0 H LEU A 124 1.018 -15.792 6.760 1.00 33.52 H new ATOM 0 HA LEU A 124 3.445 -14.318 5.957 1.00 72.20 H new ATOM 0 HB2 LEU A 124 2.994 -16.610 7.500 1.00 44.11 H new ATOM 0 HB3 LEU A 124 3.542 -17.226 5.953 1.00 44.11 H new ATOM 0 HG LEU A 124 5.022 -15.215 7.678 1.00 74.05 H new ATOM 0 HD11 LEU A 124 6.612 -17.094 8.018 1.00 42.10 H new ATOM 0 HD12 LEU A 124 4.986 -17.493 8.622 1.00 42.10 H new ATOM 0 HD13 LEU A 124 5.545 -18.154 7.067 1.00 42.10 H new ATOM 0 HD21 LEU A 124 6.906 -15.549 6.137 1.00 74.13 H new ATOM 0 HD22 LEU A 124 5.876 -16.570 5.105 1.00 74.13 H new ATOM 0 HD23 LEU A 124 5.493 -14.845 5.317 1.00 74.13 H new ATOM 1911 N GLU A 125 2.372 -14.497 3.628 1.00 15.25 N ATOM 1912 CA GLU A 125 2.184 -14.642 2.191 1.00 11.53 C ATOM 1913 C GLU A 125 3.530 -14.741 1.500 1.00 63.44 C ATOM 1914 O GLU A 125 3.818 -15.722 0.818 1.00 22.13 O ATOM 1915 CB GLU A 125 1.380 -13.468 1.607 1.00 72.13 C ATOM 1916 CG GLU A 125 -0.133 -13.628 1.685 1.00 62.13 C ATOM 1917 CD GLU A 125 -0.688 -13.508 3.085 1.00 61.35 C ATOM 1918 OE1 GLU A 125 -0.912 -12.372 3.540 1.00 1.04 O ATOM 1919 OE2 GLU A 125 -0.928 -14.554 3.720 1.00 40.23 O ATOM 0 H GLU A 125 2.317 -13.535 3.962 1.00 15.25 H new ATOM 0 HA GLU A 125 1.617 -15.557 2.018 1.00 11.53 H new ATOM 0 HB2 GLU A 125 1.662 -12.556 2.132 1.00 72.13 H new ATOM 0 HB3 GLU A 125 1.664 -13.335 0.563 1.00 72.13 H new ATOM 0 HG2 GLU A 125 -0.602 -12.874 1.053 1.00 62.13 H new ATOM 0 HG3 GLU A 125 -0.407 -14.601 1.278 1.00 62.13 H new ATOM 1926 N HIS A 126 4.355 -13.727 1.709 1.00 4.43 N ATOM 1927 CA HIS A 126 5.678 -13.675 1.112 1.00 10.03 C ATOM 1928 C HIS A 126 6.749 -13.556 2.184 1.00 74.33 C ATOM 1929 O HIS A 126 6.444 -13.419 3.368 1.00 62.25 O ATOM 1930 CB HIS A 126 5.794 -12.484 0.141 1.00 35.40 C ATOM 1931 CG HIS A 126 5.207 -12.712 -1.226 1.00 73.23 C ATOM 1932 ND1 HIS A 126 5.003 -11.693 -2.129 1.00 72.24 N ATOM 1933 CD2 HIS A 126 4.813 -13.847 -1.853 1.00 35.42 C ATOM 1934 CE1 HIS A 126 4.513 -12.190 -3.250 1.00 21.43 C ATOM 1935 NE2 HIS A 126 4.387 -13.492 -3.107 1.00 13.41 N ATOM 0 H HIS A 126 4.128 -12.923 2.293 1.00 4.43 H new ATOM 0 HA HIS A 126 5.827 -14.602 0.559 1.00 10.03 H new ATOM 0 HB2 HIS A 126 5.303 -11.621 0.590 1.00 35.40 H new ATOM 0 HB3 HIS A 126 6.848 -12.229 0.028 1.00 35.40 H new ATOM 0 HD2 HIS A 126 4.831 -14.845 -1.442 1.00 35.42 H new ATOM 0 HE1 HIS A 126 4.259 -11.624 -4.134 1.00 21.43 H new ATOM 0 HE2 HIS A 126 4.030 -14.134 -3.815 1.00 13.41 H new ATOM 1944 N HIS A 127 7.997 -13.648 1.754 1.00 42.12 N ATOM 1945 CA HIS A 127 9.135 -13.239 2.560 1.00 51.14 C ATOM 1946 C HIS A 127 10.073 -12.458 1.638 1.00 3.40 C ATOM 1947 O HIS A 127 11.269 -12.730 1.522 1.00 22.02 O ATOM 1948 CB HIS A 127 9.824 -14.442 3.224 1.00 11.51 C ATOM 1949 CG HIS A 127 10.595 -14.072 4.460 1.00 13.30 C ATOM 1950 ND1 HIS A 127 10.169 -13.664 5.678 1.00 1.13 N flip ATOM 1951 CD2 HIS A 127 11.966 -14.121 4.538 1.00 30.44 C flip ATOM 1952 CE1 HIS A 127 11.281 -13.476 6.465 1.00 31.23 C flip ATOM 1953 NE2 HIS A 127 12.351 -13.757 5.746 1.00 33.30 N flip ATOM 0 H HIS A 127 8.250 -14.009 0.834 1.00 42.12 H new ATOM 0 HA HIS A 127 8.817 -12.607 3.389 1.00 51.14 H new ATOM 0 HB2 HIS A 127 9.071 -15.187 3.482 1.00 11.51 H new ATOM 0 HB3 HIS A 127 10.500 -14.907 2.507 1.00 11.51 H new ATOM 0 HD2 HIS A 127 12.626 -14.412 3.735 1.00 30.44 H new ATOM 0 HE1 HIS A 127 11.279 -13.153 7.496 1.00 31.23 H new ATOM 0 HE2 HIS A 127 13.316 -13.702 6.071 1.00 33.30 H new ATOM 1962 N HIS A 128 9.473 -11.477 0.977 1.00 72.11 N ATOM 1963 CA HIS A 128 10.121 -10.695 -0.058 1.00 3.40 C ATOM 1964 C HIS A 128 10.770 -9.456 0.550 1.00 34.34 C ATOM 1965 O HIS A 128 10.074 -8.577 1.069 1.00 50.11 O ATOM 1966 CB HIS A 128 9.070 -10.309 -1.122 1.00 10.23 C ATOM 1967 CG HIS A 128 9.604 -9.554 -2.311 1.00 52.44 C ATOM 1968 ND1 HIS A 128 10.080 -10.172 -3.442 1.00 3.42 N ATOM 1969 CD2 HIS A 128 9.694 -8.223 -2.551 1.00 21.42 C ATOM 1970 CE1 HIS A 128 10.448 -9.262 -4.318 1.00 75.31 C ATOM 1971 NE2 HIS A 128 10.223 -8.073 -3.805 1.00 65.01 N ATOM 0 H HIS A 128 8.507 -11.201 1.151 1.00 72.11 H new ATOM 0 HA HIS A 128 10.908 -11.281 -0.533 1.00 3.40 H new ATOM 0 HB2 HIS A 128 8.586 -11.219 -1.478 1.00 10.23 H new ATOM 0 HB3 HIS A 128 8.299 -9.704 -0.645 1.00 10.23 H new ATOM 0 HD2 HIS A 128 9.403 -7.429 -1.879 1.00 21.42 H new ATOM 0 HE1 HIS A 128 10.865 -9.459 -5.295 1.00 75.31 H new ATOM 0 HE2 HIS A 128 10.412 -7.183 -4.266 1.00 65.01 H new ATOM 1980 N HIS A 129 12.094 -9.390 0.468 1.00 42.22 N ATOM 1981 CA HIS A 129 12.818 -8.227 0.956 1.00 31.32 C ATOM 1982 C HIS A 129 12.996 -7.194 -0.158 1.00 41.14 C ATOM 1983 O HIS A 129 13.377 -7.527 -1.286 1.00 62.10 O ATOM 1984 CB HIS A 129 14.162 -8.605 1.644 1.00 42.20 C ATOM 1985 CG HIS A 129 15.215 -9.261 0.795 1.00 22.14 C ATOM 1986 ND1 HIS A 129 16.161 -8.548 0.094 1.00 55.43 N ATOM 1987 CD2 HIS A 129 15.507 -10.565 0.590 1.00 52.23 C ATOM 1988 CE1 HIS A 129 16.983 -9.382 -0.507 1.00 45.32 C ATOM 1989 NE2 HIS A 129 16.610 -10.611 -0.224 1.00 33.11 N ATOM 0 H HIS A 129 12.682 -10.123 0.071 1.00 42.22 H new ATOM 0 HA HIS A 129 12.213 -7.766 1.737 1.00 31.32 H new ATOM 0 HB2 HIS A 129 14.590 -7.697 2.069 1.00 42.20 H new ATOM 0 HB3 HIS A 129 13.938 -9.271 2.477 1.00 42.20 H new ATOM 0 HD2 HIS A 129 14.972 -11.412 0.992 1.00 52.23 H new ATOM 0 HE1 HIS A 129 17.822 -9.104 -1.128 1.00 45.32 H new ATOM 0 HE2 HIS A 129 17.067 -11.460 -0.556 1.00 33.11 H new ATOM 1998 N HIS A 130 12.686 -5.950 0.166 1.00 53.31 N ATOM 1999 CA HIS A 130 12.743 -4.854 -0.792 1.00 51.22 C ATOM 2000 C HIS A 130 13.466 -3.670 -0.149 1.00 43.20 C ATOM 2001 O HIS A 130 13.186 -3.329 0.991 1.00 3.23 O ATOM 2002 CB HIS A 130 11.307 -4.473 -1.212 1.00 40.44 C ATOM 2003 CG HIS A 130 11.214 -3.538 -2.381 1.00 23.11 C ATOM 2004 ND1 HIS A 130 11.029 -2.184 -2.250 1.00 71.22 N ATOM 2005 CD2 HIS A 130 11.252 -3.775 -3.710 1.00 23.02 C ATOM 2006 CE1 HIS A 130 10.959 -1.631 -3.439 1.00 52.04 C ATOM 2007 NE2 HIS A 130 11.093 -2.571 -4.346 1.00 60.43 N ATOM 0 H HIS A 130 12.387 -5.669 1.100 1.00 53.31 H new ATOM 0 HA HIS A 130 13.293 -5.152 -1.685 1.00 51.22 H new ATOM 0 HB2 HIS A 130 10.761 -5.385 -1.452 1.00 40.44 H new ATOM 0 HB3 HIS A 130 10.805 -4.016 -0.360 1.00 40.44 H new ATOM 0 HD2 HIS A 130 11.383 -4.736 -4.184 1.00 23.02 H new ATOM 0 HE1 HIS A 130 10.815 -0.579 -3.638 1.00 52.04 H new ATOM 0 HE2 HIS A 130 11.081 -2.429 -5.356 1.00 60.43 H new ATOM 2016 N HIS A 131 14.408 -3.071 -0.868 1.00 74.02 N ATOM 2017 CA HIS A 131 15.181 -1.938 -0.337 1.00 5.41 C ATOM 2018 C HIS A 131 15.438 -0.891 -1.421 1.00 62.54 C ATOM 2019 O HIS A 131 15.471 -1.213 -2.609 1.00 50.12 O ATOM 2020 CB HIS A 131 16.511 -2.410 0.319 1.00 4.23 C ATOM 2021 CG HIS A 131 17.538 -3.039 -0.599 1.00 12.41 C ATOM 2022 ND1 HIS A 131 18.843 -2.607 -0.663 1.00 42.13 N ATOM 2023 CD2 HIS A 131 17.459 -4.094 -1.448 1.00 0.11 C ATOM 2024 CE1 HIS A 131 19.515 -3.356 -1.513 1.00 71.33 C ATOM 2025 NE2 HIS A 131 18.700 -4.264 -1.999 1.00 41.23 N ATOM 0 H HIS A 131 14.660 -3.345 -1.818 1.00 74.02 H new ATOM 0 HA HIS A 131 14.582 -1.470 0.444 1.00 5.41 H new ATOM 0 HB2 HIS A 131 16.972 -1.552 0.808 1.00 4.23 H new ATOM 0 HB3 HIS A 131 16.268 -3.130 1.101 1.00 4.23 H new ATOM 0 HD2 HIS A 131 16.581 -4.689 -1.651 1.00 0.11 H new ATOM 0 HE1 HIS A 131 20.559 -3.243 -1.767 1.00 71.33 H new ATOM 0 HE2 HIS A 131 18.952 -4.982 -2.679 1.00 41.23 H new TER 2034 HIS A 131