USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=35 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 86 THR OG1 : rot 81:sc= 0.0648 USER MOD Set 1.2: A 115 GLN : amide:sc= 0.556 K(o=0.62,f=0.088) USER MOD Set 2.1: A 33 SER OG : rot 21:sc= 0.598 USER MOD Set 2.2: A 131 HIS : no HD1:sc= -0.0412 X(o=0.56,f=0.6) USER MOD Single : A 1 MET CE :methyl -114:sc= -0.189 (180deg=-1.17) USER MOD Single : A 1 MET N :NH3+ -109:sc= 0.746 (180deg=-0.0309) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -61:sc= 0.816 USER MOD Single : A 6 TYR OH : rot -31:sc= -0.829! USER MOD Single : A 7 TYR OH : rot 40:sc= 0.575 USER MOD Single : A 16 SER OG : rot -26:sc= 0.297 USER MOD Single : A 19 LYS NZ :NH3+ 179:sc= 1.88 (180deg=1.87) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.422 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 148:sc= 0.00459 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.634 K(o=-0.63,f=-7.1!) USER MOD Single : A 40 ASN : amide:sc= 0.335 K(o=0.34,f=-4.8!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 168:sc= 0.851 (180deg=0.432) USER MOD Single : A 49 THR OG1 : rot 180:sc=0.000851 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0.495 X(o=0.49,f=0) USER MOD Single : A 56 TYR OH : rot 52:sc= 1.1 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -178:sc= -1.22 (180deg=-1.24) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -1.32 X(o=-1.3,f=-1.1) USER MOD Single : A 69 HIS : no HE2:sc= 0.386 K(o=0.39,f=-1.8!) USER MOD Single : A 71 GLN : amide:sc= -0.883 K(o=-0.88,f=-2.1!) USER MOD Single : A 74 LYS NZ :NH3+ 153:sc= 0.713 (180deg=0.374) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -171:sc= 0.794 (180deg=0.744) USER MOD Single : A 83 GLN : amide:sc= -0.383 K(o=-0.38,f=-2.4!) USER MOD Single : A 89 LYS NZ :NH3+ 171:sc=-0.00781 (180deg=-0.113) USER MOD Single : A 90 TYR OH : rot 33:sc= -1.19 USER MOD Single : A 91 LYS NZ :NH3+ 176:sc= 0.453 (180deg=0.408) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : +bothHN:sc= 1.12 K(o=1.1,f=-3.8!) USER MOD Single : A 97 THR OG1 : rot 78:sc= 0.294 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc=-0.00231 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ -123:sc= 0.348 (180deg=0.0507) USER MOD Single : A 109 LYS NZ :NH3+ 150:sc= 0.387 (180deg=-0.115) USER MOD Single : A 116 LYS NZ :NH3+ 164:sc= -0.0197 (180deg=-0.297) USER MOD Single : A 119 LYS NZ :NH3+ 149:sc= 0.298 (180deg=0.0324) USER MOD Single : A 123 LYS NZ :NH3+ 150:sc= 0.688 (180deg=0.245) USER MOD Single : A 126 HIS : no HD1:sc=-0.00257 X(o=-0.0026,f=0) USER MOD Single : A 127 HIS : no HD1:sc= -0.868 K(o=-0.87,f=-2.4!) USER MOD Single : A 128 HIS : no HD1:sc= -1.08 X(o=-1.1,f=-0.59) USER MOD Single : A 129 HIS : no HE2:sc= 0.0517 K(o=0.052,f=-2.2!) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=-0.0021) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.835 -8.660 15.917 1.00 54.05 N ATOM 2 CA MET A 1 3.927 -9.425 14.652 1.00 70.50 C ATOM 3 C MET A 1 5.099 -10.391 14.712 1.00 32.53 C ATOM 4 O MET A 1 5.993 -10.237 15.544 1.00 53.31 O ATOM 5 CB MET A 1 4.113 -8.502 13.441 1.00 4.02 C ATOM 6 CG MET A 1 3.050 -7.424 13.304 1.00 60.51 C ATOM 7 SD MET A 1 3.479 -5.884 14.142 1.00 72.32 S ATOM 8 CE MET A 1 4.906 -5.353 13.191 1.00 23.15 C ATOM 0 H1 MET A 1 3.003 -8.977 16.455 1.00 54.05 H new ATOM 0 H2 MET A 1 4.694 -8.819 16.482 1.00 54.05 H new ATOM 0 H3 MET A 1 3.744 -7.646 15.704 1.00 54.05 H new ATOM 0 HA MET A 1 2.990 -9.970 14.535 1.00 70.50 H new ATOM 0 HB2 MET A 1 5.090 -8.025 13.510 1.00 4.02 H new ATOM 0 HB3 MET A 1 4.118 -9.108 12.535 1.00 4.02 H new ATOM 0 HG2 MET A 1 2.885 -7.220 12.246 1.00 60.51 H new ATOM 0 HG3 MET A 1 2.109 -7.799 13.707 1.00 60.51 H new ATOM 0 HE1 MET A 1 5.794 -5.380 13.822 1.00 23.15 H new ATOM 0 HE2 MET A 1 5.045 -6.020 12.340 1.00 23.15 H new ATOM 0 HE3 MET A 1 4.747 -4.336 12.833 1.00 23.15 H new ATOM 20 N LYS A 2 5.095 -11.379 13.825 1.00 73.23 N ATOM 21 CA LYS A 2 6.199 -12.323 13.707 1.00 41.44 C ATOM 22 C LYS A 2 6.956 -12.034 12.411 1.00 34.53 C ATOM 23 O LYS A 2 6.488 -11.238 11.598 1.00 11.43 O ATOM 24 CB LYS A 2 5.672 -13.778 13.751 1.00 44.23 C ATOM 25 CG LYS A 2 4.930 -14.221 12.496 1.00 62.22 C ATOM 26 CD LYS A 2 4.224 -15.550 12.684 1.00 33.54 C ATOM 27 CE LYS A 2 3.010 -15.425 13.595 1.00 53.53 C ATOM 28 NZ LYS A 2 2.339 -16.734 13.803 1.00 52.30 N ATOM 0 H LYS A 2 4.331 -11.548 13.171 1.00 73.23 H new ATOM 0 HA LYS A 2 6.884 -12.206 14.547 1.00 41.44 H new ATOM 0 HB2 LYS A 2 6.514 -14.451 13.916 1.00 44.23 H new ATOM 0 HB3 LYS A 2 5.006 -13.884 14.608 1.00 44.23 H new ATOM 0 HG2 LYS A 2 4.200 -13.460 12.221 1.00 62.22 H new ATOM 0 HG3 LYS A 2 5.635 -14.300 11.669 1.00 62.22 H new ATOM 0 HD2 LYS A 2 3.911 -15.935 11.714 1.00 33.54 H new ATOM 0 HD3 LYS A 2 4.921 -16.275 13.105 1.00 33.54 H new ATOM 0 HE2 LYS A 2 3.319 -15.018 14.558 1.00 53.53 H new ATOM 0 HE3 LYS A 2 2.302 -14.718 13.162 1.00 53.53 H new ATOM 0 HZ1 LYS A 2 1.518 -16.608 14.428 1.00 52.30 H new ATOM 0 HZ2 LYS A 2 2.022 -17.111 12.887 1.00 52.30 H new ATOM 0 HZ3 LYS A 2 3.007 -17.401 14.239 1.00 52.30 H new ATOM 42 N ASP A 3 8.124 -12.653 12.241 1.00 64.14 N ATOM 43 CA ASP A 3 8.896 -12.559 10.999 1.00 54.41 C ATOM 44 C ASP A 3 8.094 -13.149 9.838 1.00 40.22 C ATOM 45 O ASP A 3 7.769 -14.343 9.827 1.00 64.00 O ATOM 46 CB ASP A 3 10.240 -13.284 11.165 1.00 11.33 C ATOM 47 CG ASP A 3 11.070 -13.311 9.898 1.00 43.51 C ATOM 48 OD1 ASP A 3 11.718 -12.303 9.586 1.00 54.05 O ATOM 49 OD2 ASP A 3 11.094 -14.350 9.217 1.00 12.05 O ATOM 0 H ASP A 3 8.562 -13.232 12.957 1.00 64.14 H new ATOM 0 HA ASP A 3 9.096 -11.511 10.776 1.00 54.41 H new ATOM 0 HB2 ASP A 3 10.812 -12.797 11.955 1.00 11.33 H new ATOM 0 HB3 ASP A 3 10.054 -14.307 11.491 1.00 11.33 H new ATOM 54 N GLY A 4 7.769 -12.297 8.884 1.00 32.24 N ATOM 55 CA GLY A 4 6.877 -12.676 7.821 1.00 3.02 C ATOM 56 C GLY A 4 6.653 -11.553 6.844 1.00 53.05 C ATOM 57 O GLY A 4 7.449 -10.623 6.759 1.00 33.42 O ATOM 0 H GLY A 4 8.113 -11.338 8.829 1.00 32.24 H new ATOM 0 HA2 GLY A 4 7.286 -13.538 7.294 1.00 3.02 H new ATOM 0 HA3 GLY A 4 5.921 -12.985 8.243 1.00 3.02 H new ATOM 61 N THR A 5 5.579 -11.650 6.085 1.00 34.32 N ATOM 62 CA THR A 5 5.226 -10.627 5.123 1.00 24.53 C ATOM 63 C THR A 5 3.722 -10.432 5.113 1.00 63.44 C ATOM 64 O THR A 5 2.976 -11.324 4.739 1.00 53.14 O ATOM 65 CB THR A 5 5.732 -10.975 3.716 1.00 13.43 C ATOM 66 OG1 THR A 5 7.139 -11.210 3.763 1.00 1.44 O ATOM 67 CG2 THR A 5 5.453 -9.848 2.736 1.00 71.03 C ATOM 0 H THR A 5 4.930 -12.436 6.118 1.00 34.32 H new ATOM 0 HA THR A 5 5.709 -9.697 5.422 1.00 24.53 H new ATOM 0 HB THR A 5 5.207 -11.868 3.378 1.00 13.43 H new ATOM 0 HG1 THR A 5 7.596 -10.401 4.075 1.00 1.44 H new ATOM 0 HG21 THR A 5 5.823 -10.124 1.749 1.00 71.03 H new ATOM 0 HG22 THR A 5 4.379 -9.669 2.684 1.00 71.03 H new ATOM 0 HG23 THR A 5 5.956 -8.941 3.071 1.00 71.03 H new ATOM 75 N TYR A 6 3.297 -9.257 5.519 1.00 4.33 N ATOM 76 CA TYR A 6 1.899 -8.999 5.782 1.00 15.43 C ATOM 77 C TYR A 6 1.285 -8.167 4.706 1.00 33.33 C ATOM 78 O TYR A 6 1.543 -6.982 4.585 1.00 71.24 O ATOM 79 CB TYR A 6 1.741 -8.331 7.137 1.00 23.34 C ATOM 80 CG TYR A 6 2.208 -9.209 8.257 1.00 5.25 C ATOM 81 CD1 TYR A 6 1.363 -10.143 8.800 1.00 63.22 C ATOM 82 CD2 TYR A 6 3.498 -9.124 8.752 1.00 5.51 C ATOM 83 CE1 TYR A 6 1.779 -10.963 9.806 1.00 71.15 C ATOM 84 CE2 TYR A 6 3.922 -9.944 9.768 1.00 31.42 C ATOM 85 CZ TYR A 6 3.053 -10.865 10.288 1.00 31.13 C ATOM 86 OH TYR A 6 3.443 -11.685 11.303 1.00 63.01 O ATOM 0 H TYR A 6 3.908 -8.456 5.676 1.00 4.33 H new ATOM 0 HA TYR A 6 1.373 -9.953 5.795 1.00 15.43 H new ATOM 0 HB2 TYR A 6 2.305 -7.399 7.149 1.00 23.34 H new ATOM 0 HB3 TYR A 6 0.694 -8.072 7.293 1.00 23.34 H new ATOM 0 HD1 TYR A 6 0.354 -10.230 8.425 1.00 63.22 H new ATOM 0 HD2 TYR A 6 4.182 -8.401 8.332 1.00 5.51 H new ATOM 0 HE1 TYR A 6 1.100 -11.692 10.223 1.00 71.15 H new ATOM 0 HE2 TYR A 6 4.928 -9.864 10.152 1.00 31.42 H new ATOM 0 HH TYR A 6 2.673 -11.888 11.874 1.00 63.01 H new ATOM 96 N TYR A 7 0.448 -8.802 3.947 1.00 41.14 N ATOM 97 CA TYR A 7 -0.189 -8.169 2.838 1.00 44.10 C ATOM 98 C TYR A 7 -1.664 -7.970 3.159 1.00 23.43 C ATOM 99 O TYR A 7 -2.305 -8.833 3.776 1.00 65.31 O ATOM 100 CB TYR A 7 0.103 -9.020 1.581 1.00 60.42 C ATOM 101 CG TYR A 7 -1.057 -9.369 0.671 1.00 61.21 C ATOM 102 CD1 TYR A 7 -1.923 -10.405 0.992 1.00 31.05 C ATOM 103 CD2 TYR A 7 -1.251 -8.698 -0.521 1.00 23.14 C ATOM 104 CE1 TYR A 7 -2.949 -10.764 0.148 1.00 1.35 C ATOM 105 CE2 TYR A 7 -2.270 -9.058 -1.378 1.00 34.05 C ATOM 106 CZ TYR A 7 -3.120 -10.086 -1.036 1.00 45.33 C ATOM 107 OH TYR A 7 -4.129 -10.453 -1.889 1.00 13.35 O ATOM 0 H TYR A 7 0.187 -9.779 4.081 1.00 41.14 H new ATOM 0 HA TYR A 7 0.197 -7.170 2.636 1.00 44.10 H new ATOM 0 HB2 TYR A 7 0.847 -8.491 0.985 1.00 60.42 H new ATOM 0 HB3 TYR A 7 0.562 -9.953 1.909 1.00 60.42 H new ATOM 0 HD1 TYR A 7 -1.789 -10.939 1.921 1.00 31.05 H new ATOM 0 HD2 TYR A 7 -0.596 -7.881 -0.785 1.00 23.14 H new ATOM 0 HE1 TYR A 7 -3.615 -11.572 0.414 1.00 1.35 H new ATOM 0 HE2 TYR A 7 -2.401 -8.535 -2.314 1.00 34.05 H new ATOM 0 HH TYR A 7 -4.932 -10.671 -1.371 1.00 13.35 H new ATOM 117 N ALA A 8 -2.174 -6.815 2.795 1.00 75.43 N ATOM 118 CA ALA A 8 -3.585 -6.541 2.919 1.00 42.25 C ATOM 119 C ALA A 8 -4.085 -5.906 1.656 1.00 60.04 C ATOM 120 O ALA A 8 -3.420 -5.049 1.087 1.00 32.35 O ATOM 121 CB ALA A 8 -3.866 -5.645 4.088 1.00 64.12 C ATOM 0 H ALA A 8 -1.627 -6.046 2.408 1.00 75.43 H new ATOM 0 HA ALA A 8 -4.104 -7.485 3.088 1.00 42.25 H new ATOM 0 HB1 ALA A 8 -4.938 -5.458 4.154 1.00 64.12 H new ATOM 0 HB2 ALA A 8 -3.525 -6.125 5.005 1.00 64.12 H new ATOM 0 HB3 ALA A 8 -3.340 -4.699 3.956 1.00 64.12 H new ATOM 127 N GLU A 9 -5.262 -6.300 1.246 1.00 52.44 N ATOM 128 CA GLU A 9 -5.802 -5.884 -0.024 1.00 72.33 C ATOM 129 C GLU A 9 -7.023 -5.008 0.187 1.00 53.24 C ATOM 130 O GLU A 9 -7.776 -5.201 1.153 1.00 35.40 O ATOM 131 CB GLU A 9 -6.146 -7.138 -0.838 1.00 71.25 C ATOM 132 CG GLU A 9 -7.114 -8.086 -0.132 1.00 31.32 C ATOM 133 CD GLU A 9 -7.083 -9.484 -0.684 1.00 71.30 C ATOM 134 OE1 GLU A 9 -7.752 -9.741 -1.697 1.00 2.33 O ATOM 135 OE2 GLU A 9 -6.389 -10.336 -0.103 1.00 71.32 O ATOM 0 H GLU A 9 -5.873 -6.917 1.781 1.00 52.44 H new ATOM 0 HA GLU A 9 -5.069 -5.292 -0.572 1.00 72.33 H new ATOM 0 HB2 GLU A 9 -6.580 -6.834 -1.790 1.00 71.25 H new ATOM 0 HB3 GLU A 9 -5.226 -7.676 -1.065 1.00 71.25 H new ATOM 0 HG2 GLU A 9 -6.872 -8.116 0.930 1.00 31.32 H new ATOM 0 HG3 GLU A 9 -8.126 -7.691 -0.217 1.00 31.32 H new ATOM 142 N ALA A 10 -7.175 -3.999 -0.675 1.00 45.30 N ATOM 143 CA ALA A 10 -8.403 -3.221 -0.727 1.00 31.14 C ATOM 144 C ALA A 10 -9.518 -4.159 -1.134 1.00 73.31 C ATOM 145 O ALA A 10 -9.346 -4.909 -2.087 1.00 24.51 O ATOM 146 CB ALA A 10 -8.276 -2.070 -1.718 1.00 14.53 C ATOM 0 H ALA A 10 -6.461 -3.707 -1.343 1.00 45.30 H new ATOM 0 HA ALA A 10 -8.613 -2.780 0.247 1.00 31.14 H new ATOM 0 HB1 ALA A 10 -9.207 -1.503 -1.739 1.00 14.53 H new ATOM 0 HB2 ALA A 10 -7.460 -1.416 -1.413 1.00 14.53 H new ATOM 0 HB3 ALA A 10 -8.071 -2.467 -2.712 1.00 14.53 H new ATOM 152 N ASP A 11 -10.626 -4.149 -0.391 1.00 65.44 N ATOM 153 CA ASP A 11 -11.657 -5.205 -0.513 1.00 32.21 C ATOM 154 C ASP A 11 -12.297 -5.210 -1.902 1.00 53.55 C ATOM 155 O ASP A 11 -12.470 -6.262 -2.519 1.00 33.31 O ATOM 156 CB ASP A 11 -12.732 -5.042 0.569 1.00 41.01 C ATOM 157 CG ASP A 11 -13.775 -6.151 0.535 1.00 41.23 C ATOM 158 OD1 ASP A 11 -13.470 -7.279 0.971 1.00 20.40 O ATOM 159 OD2 ASP A 11 -14.899 -5.896 0.070 1.00 25.14 O ATOM 0 H ASP A 11 -10.840 -3.430 0.300 1.00 65.44 H new ATOM 0 HA ASP A 11 -11.160 -6.164 -0.371 1.00 32.21 H new ATOM 0 HB2 ASP A 11 -12.255 -5.027 1.549 1.00 41.01 H new ATOM 0 HB3 ASP A 11 -13.227 -4.079 0.441 1.00 41.01 H new ATOM 164 N ASP A 12 -12.582 -4.029 -2.400 1.00 75.24 N ATOM 165 CA ASP A 12 -13.103 -3.870 -3.739 1.00 75.14 C ATOM 166 C ASP A 12 -12.065 -3.157 -4.600 1.00 43.21 C ATOM 167 O ASP A 12 -11.148 -2.522 -4.066 1.00 53.51 O ATOM 168 CB ASP A 12 -14.445 -3.112 -3.710 1.00 54.42 C ATOM 169 CG ASP A 12 -14.372 -1.756 -3.021 1.00 42.44 C ATOM 170 OD1 ASP A 12 -14.310 -1.703 -1.776 1.00 23.22 O ATOM 171 OD2 ASP A 12 -14.380 -0.736 -3.726 1.00 31.15 O ATOM 0 H ASP A 12 -12.460 -3.154 -1.891 1.00 75.24 H new ATOM 0 HA ASP A 12 -13.299 -4.848 -4.178 1.00 75.14 H new ATOM 0 HB2 ASP A 12 -14.794 -2.971 -4.733 1.00 54.42 H new ATOM 0 HB3 ASP A 12 -15.188 -3.727 -3.202 1.00 54.42 H new ATOM 176 N PHE A 13 -12.183 -3.297 -5.918 1.00 25.45 N ATOM 177 CA PHE A 13 -11.259 -2.654 -6.846 1.00 25.43 C ATOM 178 C PHE A 13 -11.494 -1.158 -6.860 1.00 34.02 C ATOM 179 O PHE A 13 -12.642 -0.704 -6.811 1.00 71.51 O ATOM 180 CB PHE A 13 -11.410 -3.219 -8.266 1.00 70.12 C ATOM 181 CG PHE A 13 -10.950 -4.642 -8.420 1.00 73.14 C ATOM 182 CD1 PHE A 13 -9.610 -4.928 -8.598 1.00 32.31 C ATOM 183 CD2 PHE A 13 -11.854 -5.691 -8.389 1.00 34.20 C ATOM 184 CE1 PHE A 13 -9.177 -6.233 -8.734 1.00 14.14 C ATOM 185 CE2 PHE A 13 -11.428 -6.998 -8.527 1.00 34.14 C ATOM 186 CZ PHE A 13 -10.087 -7.270 -8.701 1.00 20.22 C ATOM 0 H PHE A 13 -12.912 -3.852 -6.367 1.00 25.45 H new ATOM 0 HA PHE A 13 -10.244 -2.859 -6.505 1.00 25.43 H new ATOM 0 HB2 PHE A 13 -12.458 -3.155 -8.560 1.00 70.12 H new ATOM 0 HB3 PHE A 13 -10.846 -2.591 -8.956 1.00 70.12 H new ATOM 0 HD1 PHE A 13 -8.892 -4.122 -8.631 1.00 32.31 H new ATOM 0 HD2 PHE A 13 -12.906 -5.485 -8.255 1.00 34.20 H new ATOM 0 HE1 PHE A 13 -8.126 -6.442 -8.866 1.00 14.14 H new ATOM 0 HE2 PHE A 13 -12.144 -7.806 -8.499 1.00 34.14 H new ATOM 0 HZ PHE A 13 -9.751 -8.290 -8.811 1.00 20.22 H new ATOM 196 N ASP A 14 -10.404 -0.403 -6.917 1.00 63.32 N ATOM 197 CA ASP A 14 -10.452 1.056 -6.920 1.00 63.15 C ATOM 198 C ASP A 14 -10.925 1.619 -8.259 1.00 3.23 C ATOM 199 O ASP A 14 -11.430 0.887 -9.116 1.00 13.12 O ATOM 200 CB ASP A 14 -9.083 1.636 -6.556 1.00 32.42 C ATOM 201 CG ASP A 14 -8.873 1.729 -5.062 1.00 35.35 C ATOM 202 OD1 ASP A 14 -8.385 0.755 -4.458 1.00 71.40 O ATOM 203 OD2 ASP A 14 -9.170 2.800 -4.490 1.00 25.34 O ATOM 0 H ASP A 14 -9.459 -0.785 -6.963 1.00 63.32 H new ATOM 0 HA ASP A 14 -11.182 1.354 -6.167 1.00 63.15 H new ATOM 0 HB2 ASP A 14 -8.301 1.014 -6.992 1.00 32.42 H new ATOM 0 HB3 ASP A 14 -8.984 2.628 -6.996 1.00 32.42 H new ATOM 208 N GLU A 15 -10.740 2.925 -8.439 1.00 3.42 N ATOM 209 CA GLU A 15 -11.313 3.657 -9.570 1.00 13.20 C ATOM 210 C GLU A 15 -10.693 3.268 -10.911 1.00 71.44 C ATOM 211 O GLU A 15 -11.370 3.320 -11.929 1.00 23.22 O ATOM 212 CB GLU A 15 -11.185 5.160 -9.332 1.00 3.22 C ATOM 213 CG GLU A 15 -11.960 5.624 -8.109 1.00 41.32 C ATOM 214 CD GLU A 15 -11.773 7.086 -7.800 1.00 41.24 C ATOM 215 OE1 GLU A 15 -10.766 7.430 -7.157 1.00 43.32 O ATOM 216 OE2 GLU A 15 -12.647 7.891 -8.176 1.00 42.12 O ATOM 0 H GLU A 15 -10.190 3.506 -7.807 1.00 3.42 H new ATOM 0 HA GLU A 15 -12.366 3.383 -9.631 1.00 13.20 H new ATOM 0 HB2 GLU A 15 -10.133 5.417 -9.210 1.00 3.22 H new ATOM 0 HB3 GLU A 15 -11.544 5.696 -10.211 1.00 3.22 H new ATOM 0 HG2 GLU A 15 -13.021 5.426 -8.264 1.00 41.32 H new ATOM 0 HG3 GLU A 15 -11.649 5.035 -7.246 1.00 41.32 H new ATOM 223 N SER A 16 -9.430 2.840 -10.907 1.00 3.43 N ATOM 224 CA SER A 16 -8.775 2.382 -12.129 1.00 44.12 C ATOM 225 C SER A 16 -8.728 0.855 -12.227 1.00 51.42 C ATOM 226 O SER A 16 -8.042 0.301 -13.101 1.00 40.21 O ATOM 227 CB SER A 16 -7.373 2.965 -12.218 1.00 44.12 C ATOM 228 OG SER A 16 -7.434 4.376 -12.244 1.00 34.14 O ATOM 0 H SER A 16 -8.843 2.802 -10.073 1.00 3.43 H new ATOM 0 HA SER A 16 -9.369 2.736 -12.971 1.00 44.12 H new ATOM 0 HB2 SER A 16 -6.779 2.635 -11.366 1.00 44.12 H new ATOM 0 HB3 SER A 16 -6.875 2.598 -13.115 1.00 44.12 H new ATOM 0 HG SER A 16 -8.296 4.659 -12.614 1.00 34.14 H new ATOM 234 N GLY A 17 -9.473 0.181 -11.342 1.00 24.52 N ATOM 235 CA GLY A 17 -9.568 -1.268 -11.372 1.00 21.22 C ATOM 236 C GLY A 17 -8.375 -1.936 -10.735 1.00 64.43 C ATOM 237 O GLY A 17 -7.878 -2.942 -11.237 1.00 71.14 O ATOM 0 H GLY A 17 -10.015 0.624 -10.600 1.00 24.52 H new ATOM 0 HA2 GLY A 17 -10.475 -1.581 -10.855 1.00 21.22 H new ATOM 0 HA3 GLY A 17 -9.659 -1.602 -12.406 1.00 21.22 H new ATOM 241 N TRP A 18 -7.905 -1.359 -9.639 1.00 53.11 N ATOM 242 CA TRP A 18 -6.757 -1.884 -8.923 1.00 21.43 C ATOM 243 C TRP A 18 -7.105 -2.089 -7.455 1.00 12.35 C ATOM 244 O TRP A 18 -7.502 -1.156 -6.774 1.00 23.41 O ATOM 245 CB TRP A 18 -5.553 -0.935 -9.035 1.00 73.23 C ATOM 246 CG TRP A 18 -4.912 -0.865 -10.397 1.00 61.33 C ATOM 247 CD1 TRP A 18 -5.090 0.105 -11.343 1.00 73.22 C ATOM 248 CD2 TRP A 18 -3.963 -1.784 -10.951 1.00 52.10 C ATOM 249 NE1 TRP A 18 -4.317 -0.161 -12.447 1.00 14.30 N ATOM 250 CE2 TRP A 18 -3.618 -1.314 -12.227 1.00 2.13 C ATOM 251 CE3 TRP A 18 -3.375 -2.963 -10.496 1.00 23.15 C ATOM 252 CZ2 TRP A 18 -2.704 -1.973 -13.039 1.00 2.22 C ATOM 253 CZ3 TRP A 18 -2.472 -3.615 -11.305 1.00 74.01 C ATOM 254 CH2 TRP A 18 -2.147 -3.121 -12.566 1.00 14.35 C ATOM 0 H TRP A 18 -8.308 -0.518 -9.225 1.00 53.11 H new ATOM 0 HA TRP A 18 -6.490 -2.840 -9.373 1.00 21.43 H new ATOM 0 HB2 TRP A 18 -5.874 0.067 -8.751 1.00 73.23 H new ATOM 0 HB3 TRP A 18 -4.798 -1.245 -8.312 1.00 73.23 H new ATOM 0 HD1 TRP A 18 -5.744 0.958 -11.238 1.00 73.22 H new ATOM 0 HE1 TRP A 18 -4.272 0.409 -13.292 1.00 14.30 H new ATOM 0 HE3 TRP A 18 -3.624 -3.359 -9.523 1.00 23.15 H new ATOM 0 HZ2 TRP A 18 -2.444 -1.587 -14.014 1.00 2.22 H new ATOM 0 HZ3 TRP A 18 -2.008 -4.525 -10.956 1.00 74.01 H new ATOM 0 HH2 TRP A 18 -1.440 -3.659 -13.180 1.00 14.35 H new ATOM 265 N LYS A 19 -6.987 -3.317 -6.987 1.00 63.30 N ATOM 266 CA LYS A 19 -7.075 -3.617 -5.568 1.00 64.51 C ATOM 267 C LYS A 19 -5.724 -3.346 -4.938 1.00 42.14 C ATOM 268 O LYS A 19 -4.837 -4.196 -4.997 1.00 40.55 O ATOM 269 CB LYS A 19 -7.459 -5.087 -5.356 1.00 73.44 C ATOM 270 CG LYS A 19 -8.944 -5.326 -5.135 1.00 21.01 C ATOM 271 CD LYS A 19 -9.320 -6.802 -5.269 1.00 12.21 C ATOM 272 CE LYS A 19 -8.662 -7.698 -4.227 1.00 32.23 C ATOM 273 NZ LYS A 19 -9.352 -7.636 -2.912 1.00 33.10 N ATOM 0 H LYS A 19 -6.828 -4.134 -7.577 1.00 63.30 H new ATOM 0 HA LYS A 19 -7.840 -2.992 -5.107 1.00 64.51 H new ATOM 0 HB2 LYS A 19 -7.137 -5.662 -6.224 1.00 73.44 H new ATOM 0 HB3 LYS A 19 -6.910 -5.472 -4.497 1.00 73.44 H new ATOM 0 HG2 LYS A 19 -9.223 -4.971 -4.143 1.00 21.01 H new ATOM 0 HG3 LYS A 19 -9.515 -4.741 -5.856 1.00 21.01 H new ATOM 0 HD2 LYS A 19 -10.403 -6.901 -5.189 1.00 12.21 H new ATOM 0 HD3 LYS A 19 -9.041 -7.150 -6.263 1.00 12.21 H new ATOM 0 HE2 LYS A 19 -8.660 -8.727 -4.585 1.00 32.23 H new ATOM 0 HE3 LYS A 19 -7.620 -7.402 -4.102 1.00 32.23 H new ATOM 0 HZ1 LYS A 19 -8.879 -8.274 -2.241 1.00 33.10 H new ATOM 0 HZ2 LYS A 19 -9.317 -6.663 -2.547 1.00 33.10 H new ATOM 0 HZ3 LYS A 19 -10.344 -7.927 -3.026 1.00 33.10 H new ATOM 287 N ASP A 20 -5.559 -2.159 -4.364 1.00 31.21 N ATOM 288 CA ASP A 20 -4.263 -1.750 -3.847 1.00 32.12 C ATOM 289 C ASP A 20 -3.933 -2.452 -2.557 1.00 74.43 C ATOM 290 O ASP A 20 -4.730 -2.499 -1.615 1.00 54.43 O ATOM 291 CB ASP A 20 -4.169 -0.246 -3.674 1.00 55.14 C ATOM 292 CG ASP A 20 -3.769 0.436 -4.963 1.00 5.40 C ATOM 293 OD1 ASP A 20 -2.567 0.393 -5.305 1.00 71.43 O ATOM 294 OD2 ASP A 20 -4.647 1.017 -5.626 1.00 32.00 O ATOM 0 H ASP A 20 -6.302 -1.470 -4.247 1.00 31.21 H new ATOM 0 HA ASP A 20 -3.524 -2.045 -4.592 1.00 32.12 H new ATOM 0 HB2 ASP A 20 -5.130 0.143 -3.338 1.00 55.14 H new ATOM 0 HB3 ASP A 20 -3.441 -0.013 -2.897 1.00 55.14 H new ATOM 299 N THR A 21 -2.747 -3.016 -2.548 1.00 0.45 N ATOM 300 CA THR A 21 -2.296 -3.844 -1.466 1.00 5.52 C ATOM 301 C THR A 21 -1.058 -3.237 -0.834 1.00 0.40 C ATOM 302 O THR A 21 -0.204 -2.655 -1.518 1.00 43.05 O ATOM 303 CB THR A 21 -1.988 -5.300 -1.920 1.00 43.22 C ATOM 304 OG1 THR A 21 -0.861 -5.334 -2.792 1.00 10.23 O ATOM 305 CG2 THR A 21 -3.174 -5.927 -2.634 1.00 1.05 C ATOM 0 H THR A 21 -2.067 -2.909 -3.300 1.00 0.45 H new ATOM 0 HA THR A 21 -3.106 -3.892 -0.738 1.00 5.52 H new ATOM 0 HB THR A 21 -1.773 -5.871 -1.017 1.00 43.22 H new ATOM 0 HG1 THR A 21 -0.685 -6.259 -3.063 1.00 10.23 H new ATOM 0 HG21 THR A 21 -2.921 -6.943 -2.936 1.00 1.05 H new ATOM 0 HG22 THR A 21 -4.032 -5.951 -1.962 1.00 1.05 H new ATOM 0 HG23 THR A 21 -3.421 -5.337 -3.517 1.00 1.05 H new ATOM 313 N VAL A 22 -0.969 -3.371 0.468 1.00 13.34 N ATOM 314 CA VAL A 22 0.180 -2.884 1.200 1.00 54.23 C ATOM 315 C VAL A 22 0.875 -4.080 1.826 1.00 42.25 C ATOM 316 O VAL A 22 0.352 -4.719 2.737 1.00 2.33 O ATOM 317 CB VAL A 22 -0.205 -1.819 2.267 1.00 4.22 C ATOM 318 CG1 VAL A 22 1.018 -1.334 3.029 1.00 30.04 C ATOM 319 CG2 VAL A 22 -0.898 -0.628 1.612 1.00 25.24 C ATOM 0 H VAL A 22 -1.682 -3.816 1.046 1.00 13.34 H new ATOM 0 HA VAL A 22 0.857 -2.374 0.514 1.00 54.23 H new ATOM 0 HB VAL A 22 -0.889 -2.294 2.970 1.00 4.22 H new ATOM 0 HG11 VAL A 22 0.716 -0.591 3.767 1.00 30.04 H new ATOM 0 HG12 VAL A 22 1.489 -2.177 3.535 1.00 30.04 H new ATOM 0 HG13 VAL A 22 1.727 -0.886 2.332 1.00 30.04 H new ATOM 0 HG21 VAL A 22 -1.159 0.106 2.375 1.00 25.24 H new ATOM 0 HG22 VAL A 22 -0.227 -0.172 0.884 1.00 25.24 H new ATOM 0 HG23 VAL A 22 -1.804 -0.966 1.108 1.00 25.24 H new ATOM 329 N THR A 23 2.029 -4.405 1.264 1.00 5.31 N ATOM 330 CA THR A 23 2.741 -5.612 1.616 1.00 53.32 C ATOM 331 C THR A 23 3.936 -5.273 2.507 1.00 12.44 C ATOM 332 O THR A 23 4.914 -4.718 2.062 1.00 34.22 O ATOM 333 CB THR A 23 3.202 -6.330 0.328 1.00 44.33 C ATOM 334 OG1 THR A 23 2.143 -6.310 -0.642 1.00 54.10 O ATOM 335 CG2 THR A 23 3.582 -7.766 0.608 1.00 31.43 C ATOM 0 H THR A 23 2.493 -3.838 0.554 1.00 5.31 H new ATOM 0 HA THR A 23 2.081 -6.278 2.172 1.00 53.32 H new ATOM 0 HB THR A 23 4.077 -5.804 -0.055 1.00 44.33 H new ATOM 0 HG1 THR A 23 2.439 -6.764 -1.458 1.00 54.10 H new ATOM 0 HG21 THR A 23 3.902 -8.245 -0.317 1.00 31.43 H new ATOM 0 HG22 THR A 23 4.397 -7.792 1.331 1.00 31.43 H new ATOM 0 HG23 THR A 23 2.721 -8.298 1.013 1.00 31.43 H new ATOM 343 N ILE A 24 3.839 -5.632 3.766 1.00 4.32 N ATOM 344 CA ILE A 24 4.812 -5.252 4.780 1.00 22.51 C ATOM 345 C ILE A 24 5.879 -6.339 4.916 1.00 65.02 C ATOM 346 O ILE A 24 5.552 -7.490 5.162 1.00 35.34 O ATOM 347 CB ILE A 24 4.110 -5.060 6.160 1.00 33.51 C ATOM 348 CG1 ILE A 24 2.865 -4.152 6.049 1.00 15.14 C ATOM 349 CG2 ILE A 24 5.077 -4.511 7.201 1.00 34.14 C ATOM 350 CD1 ILE A 24 3.148 -2.679 5.799 1.00 2.21 C ATOM 0 H ILE A 24 3.075 -6.204 4.126 1.00 4.32 H new ATOM 0 HA ILE A 24 5.277 -4.315 4.474 1.00 22.51 H new ATOM 0 HB ILE A 24 3.777 -6.045 6.486 1.00 33.51 H new ATOM 0 HG12 ILE A 24 2.236 -4.525 5.241 1.00 15.14 H new ATOM 0 HG13 ILE A 24 2.288 -4.242 6.970 1.00 15.14 H new ATOM 0 HG21 ILE A 24 4.557 -4.388 8.151 1.00 34.14 H new ATOM 0 HG22 ILE A 24 5.907 -5.206 7.328 1.00 34.14 H new ATOM 0 HG23 ILE A 24 5.459 -3.546 6.869 1.00 34.14 H new ATOM 0 HD11 ILE A 24 2.207 -2.133 5.738 1.00 2.21 H new ATOM 0 HD12 ILE A 24 3.747 -2.280 6.617 1.00 2.21 H new ATOM 0 HD13 ILE A 24 3.694 -2.567 4.862 1.00 2.21 H new ATOM 362 N GLU A 25 7.145 -5.969 4.792 1.00 62.31 N ATOM 363 CA GLU A 25 8.227 -6.907 5.049 1.00 55.43 C ATOM 364 C GLU A 25 8.660 -6.776 6.503 1.00 25.35 C ATOM 365 O GLU A 25 9.144 -5.726 6.943 1.00 1.15 O ATOM 366 CB GLU A 25 9.421 -6.689 4.101 1.00 44.22 C ATOM 367 CG GLU A 25 10.635 -7.537 4.463 1.00 0.31 C ATOM 368 CD GLU A 25 11.797 -7.412 3.505 1.00 3.21 C ATOM 369 OE1 GLU A 25 11.783 -8.067 2.448 1.00 42.24 O ATOM 370 OE2 GLU A 25 12.758 -6.697 3.831 1.00 23.15 O ATOM 0 H GLU A 25 7.447 -5.034 4.517 1.00 62.31 H new ATOM 0 HA GLU A 25 7.861 -7.916 4.861 1.00 55.43 H new ATOM 0 HB2 GLU A 25 9.114 -6.921 3.081 1.00 44.22 H new ATOM 0 HB3 GLU A 25 9.703 -5.636 4.118 1.00 44.22 H new ATOM 0 HG2 GLU A 25 10.972 -7.258 5.461 1.00 0.31 H new ATOM 0 HG3 GLU A 25 10.331 -8.583 4.510 1.00 0.31 H new ATOM 377 N VAL A 26 8.426 -7.844 7.247 1.00 5.21 N ATOM 378 CA VAL A 26 8.731 -7.895 8.660 1.00 12.02 C ATOM 379 C VAL A 26 9.850 -8.898 8.914 1.00 10.13 C ATOM 380 O VAL A 26 9.771 -10.062 8.521 1.00 2.13 O ATOM 381 CB VAL A 26 7.464 -8.247 9.500 1.00 13.03 C ATOM 382 CG1 VAL A 26 7.779 -8.415 10.969 1.00 41.24 C ATOM 383 CG2 VAL A 26 6.405 -7.173 9.346 1.00 74.23 C ATOM 0 H VAL A 26 8.016 -8.704 6.882 1.00 5.21 H new ATOM 0 HA VAL A 26 9.067 -6.908 8.976 1.00 12.02 H new ATOM 0 HB VAL A 26 7.092 -9.197 9.117 1.00 13.03 H new ATOM 0 HG11 VAL A 26 6.866 -8.659 11.511 1.00 41.24 H new ATOM 0 HG12 VAL A 26 8.503 -9.220 11.096 1.00 41.24 H new ATOM 0 HG13 VAL A 26 8.196 -7.487 11.360 1.00 41.24 H new ATOM 0 HG21 VAL A 26 5.530 -7.437 9.939 1.00 74.23 H new ATOM 0 HG22 VAL A 26 6.802 -6.218 9.691 1.00 74.23 H new ATOM 0 HG23 VAL A 26 6.121 -7.090 8.297 1.00 74.23 H new ATOM 393 N LYS A 27 10.892 -8.421 9.560 1.00 34.43 N ATOM 394 CA LYS A 27 12.013 -9.243 9.944 1.00 24.23 C ATOM 395 C LYS A 27 12.329 -8.968 11.402 1.00 13.24 C ATOM 396 O LYS A 27 12.412 -7.802 11.798 1.00 24.20 O ATOM 397 CB LYS A 27 13.211 -8.952 9.039 1.00 42.22 C ATOM 398 CG LYS A 27 14.468 -9.755 9.352 1.00 63.32 C ATOM 399 CD LYS A 27 15.535 -9.536 8.292 1.00 63.43 C ATOM 400 CE LYS A 27 16.010 -8.093 8.255 1.00 70.32 C ATOM 401 NZ LYS A 27 16.714 -7.780 6.992 1.00 12.23 N ATOM 0 H LYS A 27 10.983 -7.443 9.835 1.00 34.43 H new ATOM 0 HA LYS A 27 11.772 -10.300 9.828 1.00 24.23 H new ATOM 0 HB2 LYS A 27 12.922 -9.147 8.006 1.00 42.22 H new ATOM 0 HB3 LYS A 27 13.450 -7.891 9.109 1.00 42.22 H new ATOM 0 HG2 LYS A 27 14.856 -9.464 10.328 1.00 63.32 H new ATOM 0 HG3 LYS A 27 14.221 -10.815 9.410 1.00 63.32 H new ATOM 0 HD2 LYS A 27 16.383 -10.192 8.489 1.00 63.43 H new ATOM 0 HD3 LYS A 27 15.138 -9.813 7.315 1.00 63.43 H new ATOM 0 HE2 LYS A 27 15.156 -7.426 8.370 1.00 70.32 H new ATOM 0 HE3 LYS A 27 16.676 -7.907 9.098 1.00 70.32 H new ATOM 0 HZ1 LYS A 27 16.551 -6.784 6.741 1.00 12.23 H new ATOM 0 HZ2 LYS A 27 17.734 -7.944 7.113 1.00 12.23 H new ATOM 0 HZ3 LYS A 27 16.353 -8.392 6.232 1.00 12.23 H new ATOM 415 N ASN A 28 12.445 -10.054 12.192 1.00 3.32 N ATOM 416 CA ASN A 28 12.718 -9.996 13.648 1.00 53.15 C ATOM 417 C ASN A 28 11.550 -9.365 14.414 1.00 72.55 C ATOM 418 O ASN A 28 11.745 -8.685 15.425 1.00 43.12 O ATOM 419 CB ASN A 28 14.030 -9.245 13.966 1.00 1.12 C ATOM 420 CG ASN A 28 15.275 -9.951 13.457 1.00 32.41 C ATOM 421 OD1 ASN A 28 15.346 -11.177 13.414 1.00 21.14 O ATOM 422 ND2 ASN A 28 16.254 -9.174 13.038 1.00 11.31 N ATOM 0 H ASN A 28 12.352 -11.006 11.837 1.00 3.32 H new ATOM 0 HA ASN A 28 12.834 -11.028 13.980 1.00 53.15 H new ATOM 0 HB2 ASN A 28 13.983 -8.248 13.528 1.00 1.12 H new ATOM 0 HB3 ASN A 28 14.112 -9.115 15.045 1.00 1.12 H new ATOM 0 HD21 ASN A 28 17.108 -9.587 12.662 1.00 11.31 H new ATOM 0 HD22 ASN A 28 16.158 -8.160 13.090 1.00 11.31 H new ATOM 429 N GLY A 29 10.329 -9.606 13.922 1.00 2.32 N ATOM 430 CA GLY A 29 9.127 -9.092 14.570 1.00 23.21 C ATOM 431 C GLY A 29 8.784 -7.641 14.242 1.00 14.41 C ATOM 432 O GLY A 29 7.731 -7.160 14.659 1.00 64.11 O ATOM 0 H GLY A 29 10.152 -10.153 13.079 1.00 2.32 H new ATOM 0 HA2 GLY A 29 8.283 -9.721 14.287 1.00 23.21 H new ATOM 0 HA3 GLY A 29 9.247 -9.186 15.649 1.00 23.21 H new ATOM 436 N LYS A 30 9.640 -6.949 13.489 1.00 73.34 N ATOM 437 CA LYS A 30 9.417 -5.537 13.181 1.00 1.52 C ATOM 438 C LYS A 30 9.622 -5.227 11.696 1.00 1.11 C ATOM 439 O LYS A 30 10.260 -5.990 10.979 1.00 3.13 O ATOM 440 CB LYS A 30 10.316 -4.654 14.051 1.00 74.21 C ATOM 441 CG LYS A 30 11.801 -4.999 13.994 1.00 53.44 C ATOM 442 CD LYS A 30 12.604 -4.143 14.962 1.00 61.55 C ATOM 443 CE LYS A 30 12.229 -4.440 16.403 1.00 54.52 C ATOM 444 NZ LYS A 30 12.867 -3.505 17.357 1.00 41.03 N ATOM 0 H LYS A 30 10.490 -7.341 13.083 1.00 73.34 H new ATOM 0 HA LYS A 30 8.375 -5.315 13.409 1.00 1.52 H new ATOM 0 HB2 LYS A 30 10.187 -3.616 13.745 1.00 74.21 H new ATOM 0 HB3 LYS A 30 9.980 -4.726 15.086 1.00 74.21 H new ATOM 0 HG2 LYS A 30 11.941 -6.053 14.234 1.00 53.44 H new ATOM 0 HG3 LYS A 30 12.172 -4.851 12.980 1.00 53.44 H new ATOM 0 HD2 LYS A 30 13.668 -4.326 14.816 1.00 61.55 H new ATOM 0 HD3 LYS A 30 12.430 -3.088 14.749 1.00 61.55 H new ATOM 0 HE2 LYS A 30 11.146 -4.384 16.513 1.00 54.52 H new ATOM 0 HE3 LYS A 30 12.521 -5.461 16.649 1.00 54.52 H new ATOM 0 HZ1 LYS A 30 12.580 -3.749 18.326 1.00 41.03 H new ATOM 0 HZ2 LYS A 30 13.901 -3.576 17.274 1.00 41.03 H new ATOM 0 HZ3 LYS A 30 12.568 -2.532 17.142 1.00 41.03 H new ATOM 458 N ILE A 31 9.081 -4.092 11.255 1.00 42.02 N ATOM 459 CA ILE A 31 9.091 -3.703 9.841 1.00 51.45 C ATOM 460 C ILE A 31 10.494 -3.271 9.399 1.00 23.43 C ATOM 461 O ILE A 31 11.073 -2.359 9.962 1.00 12.40 O ATOM 462 CB ILE A 31 8.097 -2.534 9.587 1.00 63.14 C ATOM 463 CG1 ILE A 31 6.704 -2.876 10.140 1.00 51.22 C ATOM 464 CG2 ILE A 31 8.014 -2.200 8.098 1.00 23.23 C ATOM 465 CD1 ILE A 31 5.727 -1.715 10.112 1.00 31.40 C ATOM 0 H ILE A 31 8.623 -3.415 11.865 1.00 42.02 H new ATOM 0 HA ILE A 31 8.786 -4.573 9.260 1.00 51.45 H new ATOM 0 HB ILE A 31 8.471 -1.655 10.112 1.00 63.14 H new ATOM 0 HG12 ILE A 31 6.288 -3.702 9.563 1.00 51.22 H new ATOM 0 HG13 ILE A 31 6.808 -3.226 11.167 1.00 51.22 H new ATOM 0 HG21 ILE A 31 7.312 -1.380 7.948 1.00 23.23 H new ATOM 0 HG22 ILE A 31 8.999 -1.906 7.736 1.00 23.23 H new ATOM 0 HG23 ILE A 31 7.671 -3.076 7.547 1.00 23.23 H new ATOM 0 HD11 ILE A 31 4.768 -2.037 10.518 1.00 31.40 H new ATOM 0 HD12 ILE A 31 6.119 -0.895 10.713 1.00 31.40 H new ATOM 0 HD13 ILE A 31 5.591 -1.379 9.084 1.00 31.40 H new ATOM 477 N VAL A 32 11.044 -3.934 8.402 1.00 50.53 N ATOM 478 CA VAL A 32 12.334 -3.520 7.865 1.00 64.52 C ATOM 479 C VAL A 32 12.183 -2.890 6.480 1.00 62.31 C ATOM 480 O VAL A 32 13.052 -2.133 6.045 1.00 44.34 O ATOM 481 CB VAL A 32 13.364 -4.676 7.833 1.00 11.15 C ATOM 482 CG1 VAL A 32 13.744 -5.073 9.248 1.00 23.21 C ATOM 483 CG2 VAL A 32 12.835 -5.879 7.070 1.00 63.00 C ATOM 0 H VAL A 32 10.630 -4.749 7.950 1.00 50.53 H new ATOM 0 HA VAL A 32 12.724 -2.764 8.547 1.00 64.52 H new ATOM 0 HB VAL A 32 14.251 -4.319 7.309 1.00 11.15 H new ATOM 0 HG11 VAL A 32 14.469 -5.887 9.215 1.00 23.21 H new ATOM 0 HG12 VAL A 32 14.182 -4.217 9.761 1.00 23.21 H new ATOM 0 HG13 VAL A 32 12.854 -5.401 9.785 1.00 23.21 H new ATOM 0 HG21 VAL A 32 13.586 -6.669 7.070 1.00 63.00 H new ATOM 0 HG22 VAL A 32 11.926 -6.243 7.549 1.00 63.00 H new ATOM 0 HG23 VAL A 32 12.613 -5.589 6.043 1.00 63.00 H new ATOM 493 N SER A 33 11.054 -3.182 5.820 1.00 1.44 N ATOM 494 CA SER A 33 10.753 -2.704 4.467 1.00 62.25 C ATOM 495 C SER A 33 9.265 -2.837 4.181 1.00 43.00 C ATOM 496 O SER A 33 8.528 -3.433 4.964 1.00 65.51 O ATOM 497 CB SER A 33 11.558 -3.454 3.397 1.00 31.43 C ATOM 498 OG SER A 33 12.873 -2.935 3.289 1.00 35.04 O ATOM 0 H SER A 33 10.316 -3.764 6.217 1.00 1.44 H new ATOM 0 HA SER A 33 11.042 -1.654 4.423 1.00 62.25 H new ATOM 0 HB2 SER A 33 11.602 -4.514 3.647 1.00 31.43 H new ATOM 0 HB3 SER A 33 11.052 -3.374 2.435 1.00 31.43 H new ATOM 0 HG SER A 33 13.105 -2.458 4.113 1.00 35.04 H new ATOM 504 N VAL A 34 8.820 -2.230 3.094 1.00 3.04 N ATOM 505 CA VAL A 34 7.438 -2.344 2.652 1.00 61.44 C ATOM 506 C VAL A 34 7.351 -2.213 1.123 1.00 53.15 C ATOM 507 O VAL A 34 7.971 -1.344 0.503 1.00 43.32 O ATOM 508 CB VAL A 34 6.501 -1.335 3.402 1.00 33.42 C ATOM 509 CG1 VAL A 34 7.004 0.082 3.294 1.00 64.30 C ATOM 510 CG2 VAL A 34 5.060 -1.411 2.916 1.00 44.50 C ATOM 0 H VAL A 34 9.403 -1.646 2.494 1.00 3.04 H new ATOM 0 HA VAL A 34 7.074 -3.338 2.914 1.00 61.44 H new ATOM 0 HB VAL A 34 6.519 -1.632 4.450 1.00 33.42 H new ATOM 0 HG11 VAL A 34 6.327 0.750 3.827 1.00 64.30 H new ATOM 0 HG12 VAL A 34 8.000 0.149 3.733 1.00 64.30 H new ATOM 0 HG13 VAL A 34 7.050 0.373 2.245 1.00 64.30 H new ATOM 0 HG21 VAL A 34 4.452 -0.693 3.466 1.00 44.50 H new ATOM 0 HG22 VAL A 34 5.022 -1.178 1.852 1.00 44.50 H new ATOM 0 HG23 VAL A 34 4.673 -2.416 3.081 1.00 44.50 H new ATOM 520 N ASP A 35 6.596 -3.128 0.548 1.00 51.53 N ATOM 521 CA ASP A 35 6.381 -3.242 -0.886 1.00 50.25 C ATOM 522 C ASP A 35 5.017 -2.691 -1.257 1.00 23.11 C ATOM 523 O ASP A 35 4.048 -2.835 -0.505 1.00 61.44 O ATOM 524 CB ASP A 35 6.447 -4.706 -1.340 1.00 15.34 C ATOM 525 CG ASP A 35 7.824 -5.315 -1.212 1.00 23.12 C ATOM 526 OD1 ASP A 35 8.157 -5.821 -0.122 1.00 23.53 O ATOM 527 OD2 ASP A 35 8.574 -5.300 -2.206 1.00 44.12 O ATOM 0 H ASP A 35 6.097 -3.839 1.083 1.00 51.53 H new ATOM 0 HA ASP A 35 7.168 -2.672 -1.381 1.00 50.25 H new ATOM 0 HB2 ASP A 35 5.743 -5.293 -0.751 1.00 15.34 H new ATOM 0 HB3 ASP A 35 6.125 -4.771 -2.379 1.00 15.34 H new ATOM 532 N TRP A 36 4.946 -2.063 -2.417 1.00 4.14 N ATOM 533 CA TRP A 36 3.702 -1.504 -2.926 1.00 60.35 C ATOM 534 C TRP A 36 3.237 -2.270 -4.168 1.00 54.32 C ATOM 535 O TRP A 36 3.953 -2.372 -5.165 1.00 1.25 O ATOM 536 CB TRP A 36 3.842 0.011 -3.207 1.00 1.44 C ATOM 537 CG TRP A 36 5.253 0.501 -3.464 1.00 41.11 C ATOM 538 CD1 TRP A 36 6.133 0.992 -2.532 1.00 3.04 C ATOM 539 CD2 TRP A 36 5.939 0.560 -4.724 1.00 73.12 C ATOM 540 NE1 TRP A 36 7.318 1.338 -3.133 1.00 4.54 N ATOM 541 CE2 TRP A 36 7.225 1.080 -4.476 1.00 31.51 C ATOM 542 CE3 TRP A 36 5.596 0.214 -6.033 1.00 72.43 C ATOM 543 CZ2 TRP A 36 8.160 1.265 -5.493 1.00 4.41 C ATOM 544 CZ3 TRP A 36 6.522 0.397 -7.036 1.00 52.44 C ATOM 545 CH2 TRP A 36 7.789 0.915 -6.762 1.00 41.53 C ATOM 0 H TRP A 36 5.747 -1.925 -3.034 1.00 4.14 H new ATOM 0 HA TRP A 36 2.936 -1.617 -2.159 1.00 60.35 H new ATOM 0 HB2 TRP A 36 3.227 0.260 -4.071 1.00 1.44 H new ATOM 0 HB3 TRP A 36 3.435 0.559 -2.357 1.00 1.44 H new ATOM 0 HD1 TRP A 36 5.923 1.092 -1.477 1.00 3.04 H new ATOM 0 HE1 TRP A 36 8.134 1.724 -2.658 1.00 4.54 H new ATOM 0 HE3 TRP A 36 4.620 -0.191 -6.255 1.00 72.43 H new ATOM 0 HZ2 TRP A 36 9.140 1.669 -5.287 1.00 4.41 H new ATOM 0 HZ3 TRP A 36 6.264 0.135 -8.051 1.00 52.44 H new ATOM 0 HH2 TRP A 36 8.493 1.042 -7.571 1.00 41.53 H new ATOM 556 N ASN A 37 2.039 -2.826 -4.083 1.00 42.23 N ATOM 557 CA ASN A 37 1.506 -3.699 -5.123 1.00 52.44 C ATOM 558 C ASN A 37 0.005 -3.432 -5.279 1.00 11.21 C ATOM 559 O ASN A 37 -0.591 -2.777 -4.431 1.00 34.54 O ATOM 560 CB ASN A 37 1.795 -5.167 -4.733 1.00 41.43 C ATOM 561 CG ASN A 37 1.417 -6.202 -5.782 1.00 33.34 C ATOM 562 OD1 ASN A 37 1.531 -5.975 -6.991 1.00 21.24 O ATOM 563 ND2 ASN A 37 0.936 -7.339 -5.316 1.00 41.34 N ATOM 0 H ASN A 37 1.408 -2.687 -3.294 1.00 42.23 H new ATOM 0 HA ASN A 37 1.981 -3.502 -6.084 1.00 52.44 H new ATOM 0 HB2 ASN A 37 2.858 -5.266 -4.515 1.00 41.43 H new ATOM 0 HB3 ASN A 37 1.258 -5.394 -3.812 1.00 41.43 H new ATOM 0 HD21 ASN A 37 0.642 -8.071 -5.962 1.00 41.34 H new ATOM 0 HD22 ASN A 37 0.859 -7.486 -4.310 1.00 41.34 H new ATOM 570 N ALA A 38 -0.577 -3.888 -6.382 1.00 23.44 N ATOM 571 CA ALA A 38 -2.009 -3.801 -6.614 1.00 2.24 C ATOM 572 C ALA A 38 -2.448 -4.926 -7.544 1.00 63.22 C ATOM 573 O ALA A 38 -1.655 -5.405 -8.344 1.00 3.31 O ATOM 574 CB ALA A 38 -2.377 -2.449 -7.206 1.00 52.01 C ATOM 0 H ALA A 38 -0.063 -4.331 -7.144 1.00 23.44 H new ATOM 0 HA ALA A 38 -2.526 -3.904 -5.660 1.00 2.24 H new ATOM 0 HB1 ALA A 38 -3.453 -2.405 -7.372 1.00 52.01 H new ATOM 0 HB2 ALA A 38 -2.084 -1.658 -6.516 1.00 52.01 H new ATOM 0 HB3 ALA A 38 -1.858 -2.314 -8.155 1.00 52.01 H new ATOM 580 N ILE A 39 -3.700 -5.346 -7.431 1.00 34.43 N ATOM 581 CA ILE A 39 -4.236 -6.447 -8.240 1.00 32.41 C ATOM 582 C ILE A 39 -5.201 -5.889 -9.292 1.00 5.03 C ATOM 583 O ILE A 39 -6.085 -5.115 -8.958 1.00 50.41 O ATOM 584 CB ILE A 39 -4.985 -7.483 -7.352 1.00 24.23 C ATOM 585 CG1 ILE A 39 -4.155 -7.828 -6.103 1.00 11.04 C ATOM 586 CG2 ILE A 39 -5.289 -8.752 -8.151 1.00 62.31 C ATOM 587 CD1 ILE A 39 -4.903 -8.654 -5.077 1.00 23.51 C ATOM 0 H ILE A 39 -4.374 -4.940 -6.782 1.00 34.43 H new ATOM 0 HA ILE A 39 -3.401 -6.950 -8.728 1.00 32.41 H new ATOM 0 HB ILE A 39 -5.927 -7.038 -7.030 1.00 24.23 H new ATOM 0 HG12 ILE A 39 -3.262 -8.372 -6.411 1.00 11.04 H new ATOM 0 HG13 ILE A 39 -3.819 -6.903 -5.635 1.00 11.04 H new ATOM 0 HG21 ILE A 39 -5.813 -9.466 -7.515 1.00 62.31 H new ATOM 0 HG22 ILE A 39 -5.915 -8.502 -9.007 1.00 62.31 H new ATOM 0 HG23 ILE A 39 -4.356 -9.194 -8.501 1.00 62.31 H new ATOM 0 HD11 ILE A 39 -4.251 -8.856 -4.227 1.00 23.51 H new ATOM 0 HD12 ILE A 39 -5.782 -8.105 -4.738 1.00 23.51 H new ATOM 0 HD13 ILE A 39 -5.215 -9.597 -5.526 1.00 23.51 H new ATOM 599 N ASN A 40 -5.043 -6.280 -10.550 1.00 12.11 N ATOM 600 CA ASN A 40 -5.878 -5.733 -11.622 1.00 74.25 C ATOM 601 C ASN A 40 -7.179 -6.516 -11.789 1.00 61.14 C ATOM 602 O ASN A 40 -7.203 -7.737 -11.662 1.00 54.44 O ATOM 603 CB ASN A 40 -5.114 -5.666 -12.941 1.00 50.13 C ATOM 604 CG ASN A 40 -5.884 -4.918 -14.015 1.00 3.51 C ATOM 605 OD1 ASN A 40 -6.480 -5.519 -14.904 1.00 1.52 O ATOM 606 ND2 ASN A 40 -5.934 -3.602 -13.896 1.00 13.51 N ATOM 0 H ASN A 40 -4.353 -6.966 -10.855 1.00 12.11 H new ATOM 0 HA ASN A 40 -6.142 -4.717 -11.330 1.00 74.25 H new ATOM 0 HB2 ASN A 40 -4.154 -5.177 -12.778 1.00 50.13 H new ATOM 0 HB3 ASN A 40 -4.901 -6.677 -13.287 1.00 50.13 H new ATOM 0 HD21 ASN A 40 -6.482 -3.051 -14.557 1.00 13.51 H new ATOM 0 HD22 ASN A 40 -5.425 -3.138 -13.144 1.00 13.51 H new ATOM 613 N LYS A 41 -8.252 -5.761 -12.046 1.00 70.00 N ATOM 614 CA LYS A 41 -9.612 -6.274 -12.184 1.00 44.12 C ATOM 615 C LYS A 41 -9.772 -7.225 -13.370 1.00 52.12 C ATOM 616 O LYS A 41 -10.280 -8.332 -13.208 1.00 21.12 O ATOM 617 CB LYS A 41 -10.578 -5.091 -12.328 1.00 3.14 C ATOM 618 CG LYS A 41 -12.035 -5.443 -12.112 1.00 3.42 C ATOM 619 CD LYS A 41 -12.922 -4.221 -12.263 1.00 32.45 C ATOM 620 CE LYS A 41 -14.321 -4.493 -11.755 1.00 24.31 C ATOM 621 NZ LYS A 41 -15.196 -3.300 -11.870 1.00 63.04 N ATOM 0 H LYS A 41 -8.193 -4.750 -12.166 1.00 70.00 H new ATOM 0 HA LYS A 41 -9.840 -6.852 -11.288 1.00 44.12 H new ATOM 0 HB2 LYS A 41 -10.294 -4.317 -11.615 1.00 3.14 H new ATOM 0 HB3 LYS A 41 -10.464 -4.664 -13.324 1.00 3.14 H new ATOM 0 HG2 LYS A 41 -12.338 -6.206 -12.829 1.00 3.42 H new ATOM 0 HG3 LYS A 41 -12.165 -5.870 -11.118 1.00 3.42 H new ATOM 0 HD2 LYS A 41 -12.489 -3.385 -11.714 1.00 32.45 H new ATOM 0 HD3 LYS A 41 -12.964 -3.926 -13.312 1.00 32.45 H new ATOM 0 HE2 LYS A 41 -14.757 -5.318 -12.318 1.00 24.31 H new ATOM 0 HE3 LYS A 41 -14.273 -4.808 -10.713 1.00 24.31 H new ATOM 0 HZ1 LYS A 41 -16.145 -3.529 -11.511 1.00 63.04 H new ATOM 0 HZ2 LYS A 41 -14.794 -2.520 -11.312 1.00 63.04 H new ATOM 0 HZ3 LYS A 41 -15.263 -3.014 -12.868 1.00 63.04 H new ATOM 635 N ASP A 42 -9.313 -6.795 -14.541 1.00 34.41 N ATOM 636 CA ASP A 42 -9.501 -7.549 -15.778 1.00 30.21 C ATOM 637 C ASP A 42 -8.434 -8.638 -15.926 1.00 51.13 C ATOM 638 O ASP A 42 -8.688 -9.705 -16.497 1.00 34.20 O ATOM 639 CB ASP A 42 -9.471 -6.581 -16.971 1.00 24.32 C ATOM 640 CG ASP A 42 -9.766 -7.255 -18.294 1.00 0.00 C ATOM 641 OD1 ASP A 42 -10.912 -7.689 -18.495 1.00 60.10 O ATOM 642 OD2 ASP A 42 -8.845 -7.361 -19.124 1.00 32.33 O ATOM 0 H ASP A 42 -8.803 -5.920 -14.660 1.00 34.41 H new ATOM 0 HA ASP A 42 -10.470 -8.048 -15.748 1.00 30.21 H new ATOM 0 HB2 ASP A 42 -10.199 -5.787 -16.805 1.00 24.32 H new ATOM 0 HB3 ASP A 42 -8.490 -6.108 -17.022 1.00 24.32 H new ATOM 647 N GLY A 43 -7.249 -8.359 -15.389 1.00 44.33 N ATOM 648 CA GLY A 43 -6.145 -9.290 -15.462 1.00 44.02 C ATOM 649 C GLY A 43 -6.299 -10.451 -14.507 1.00 52.14 C ATOM 650 O GLY A 43 -6.194 -11.611 -14.908 1.00 45.23 O ATOM 0 H GLY A 43 -7.036 -7.490 -14.899 1.00 44.33 H new ATOM 0 HA2 GLY A 43 -6.062 -9.670 -16.480 1.00 44.02 H new ATOM 0 HA3 GLY A 43 -5.216 -8.764 -15.242 1.00 44.02 H new ATOM 654 N GLY A 44 -6.562 -10.135 -13.241 1.00 15.33 N ATOM 655 CA GLY A 44 -6.652 -11.157 -12.210 1.00 34.10 C ATOM 656 C GLY A 44 -5.308 -11.460 -11.581 1.00 13.44 C ATOM 657 O GLY A 44 -5.177 -12.396 -10.792 1.00 34.31 O ATOM 0 H GLY A 44 -6.715 -9.183 -12.909 1.00 15.33 H new ATOM 0 HA2 GLY A 44 -7.347 -10.829 -11.437 1.00 34.10 H new ATOM 0 HA3 GLY A 44 -7.063 -12.070 -12.641 1.00 34.10 H new ATOM 661 N ASP A 45 -4.313 -10.673 -11.958 1.00 21.04 N ATOM 662 CA ASP A 45 -2.954 -10.835 -11.476 1.00 72.44 C ATOM 663 C ASP A 45 -2.489 -9.567 -10.794 1.00 61.43 C ATOM 664 O ASP A 45 -3.164 -8.539 -10.861 1.00 20.02 O ATOM 665 CB ASP A 45 -2.003 -11.143 -12.637 1.00 53.43 C ATOM 666 CG ASP A 45 -2.310 -12.449 -13.335 1.00 75.24 C ATOM 667 OD1 ASP A 45 -1.770 -13.489 -12.923 1.00 2.21 O ATOM 668 OD2 ASP A 45 -3.088 -12.433 -14.308 1.00 4.11 O ATOM 0 H ASP A 45 -4.428 -9.899 -12.612 1.00 21.04 H new ATOM 0 HA ASP A 45 -2.945 -11.664 -10.768 1.00 72.44 H new ATOM 0 HB2 ASP A 45 -2.053 -10.331 -13.363 1.00 53.43 H new ATOM 0 HB3 ASP A 45 -0.980 -11.172 -12.261 1.00 53.43 H new ATOM 673 N ASP A 46 -1.307 -9.636 -10.190 1.00 12.13 N ATOM 674 CA ASP A 46 -0.701 -8.485 -9.512 1.00 13.01 C ATOM 675 C ASP A 46 -0.043 -7.577 -10.540 1.00 15.35 C ATOM 676 O ASP A 46 0.116 -7.968 -11.688 1.00 63.24 O ATOM 677 CB ASP A 46 0.351 -8.955 -8.503 1.00 12.13 C ATOM 678 CG ASP A 46 -0.197 -9.954 -7.510 1.00 0.30 C ATOM 679 OD1 ASP A 46 -0.704 -9.536 -6.456 1.00 13.33 O ATOM 680 OD2 ASP A 46 -0.121 -11.167 -7.787 1.00 54.20 O ATOM 0 H ASP A 46 -0.741 -10.484 -10.154 1.00 12.13 H new ATOM 0 HA ASP A 46 -1.481 -7.938 -8.983 1.00 13.01 H new ATOM 0 HB2 ASP A 46 1.187 -9.403 -9.039 1.00 12.13 H new ATOM 0 HB3 ASP A 46 0.743 -8.092 -7.965 1.00 12.13 H new ATOM 685 N LYS A 47 0.337 -6.365 -10.134 1.00 1.41 N ATOM 686 CA LYS A 47 1.049 -5.440 -11.022 1.00 35.22 C ATOM 687 C LYS A 47 2.487 -5.912 -11.257 1.00 73.13 C ATOM 688 O LYS A 47 3.100 -5.561 -12.262 1.00 34.53 O ATOM 689 CB LYS A 47 1.004 -3.997 -10.480 1.00 2.34 C ATOM 690 CG LYS A 47 1.989 -3.665 -9.360 1.00 12.21 C ATOM 691 CD LYS A 47 1.528 -2.473 -8.526 1.00 50.22 C ATOM 692 CE LYS A 47 1.276 -1.234 -9.361 1.00 31.32 C ATOM 693 NZ LYS A 47 0.506 -0.219 -8.602 1.00 71.43 N ATOM 0 H LYS A 47 0.165 -6.000 -9.197 1.00 1.41 H new ATOM 0 HA LYS A 47 0.540 -5.436 -11.986 1.00 35.22 H new ATOM 0 HB2 LYS A 47 1.186 -3.314 -11.310 1.00 2.34 H new ATOM 0 HB3 LYS A 47 -0.005 -3.798 -10.119 1.00 2.34 H new ATOM 0 HG2 LYS A 47 2.109 -4.534 -8.714 1.00 12.21 H new ATOM 0 HG3 LYS A 47 2.967 -3.450 -9.790 1.00 12.21 H new ATOM 0 HD2 LYS A 47 0.614 -2.739 -7.994 1.00 50.22 H new ATOM 0 HD3 LYS A 47 2.282 -2.250 -7.772 1.00 50.22 H new ATOM 0 HE2 LYS A 47 2.227 -0.808 -9.680 1.00 31.32 H new ATOM 0 HE3 LYS A 47 0.730 -1.507 -10.264 1.00 31.32 H new ATOM 0 HZ1 LYS A 47 0.523 0.685 -9.115 1.00 71.43 H new ATOM 0 HZ2 LYS A 47 -0.478 -0.538 -8.495 1.00 71.43 H new ATOM 0 HZ3 LYS A 47 0.932 -0.091 -7.662 1.00 71.43 H new ATOM 707 N ASP A 48 3.000 -6.719 -10.314 1.00 33.31 N ATOM 708 CA ASP A 48 4.294 -7.385 -10.438 1.00 54.31 C ATOM 709 C ASP A 48 4.224 -8.482 -11.513 1.00 13.52 C ATOM 710 O ASP A 48 5.132 -8.624 -12.328 1.00 65.00 O ATOM 711 CB ASP A 48 4.665 -7.989 -9.074 1.00 13.53 C ATOM 712 CG ASP A 48 6.080 -8.531 -9.007 1.00 62.40 C ATOM 713 OD1 ASP A 48 7.007 -7.738 -8.753 1.00 41.10 O ATOM 714 OD2 ASP A 48 6.274 -9.753 -9.179 1.00 25.01 O ATOM 0 H ASP A 48 2.519 -6.925 -9.439 1.00 33.31 H new ATOM 0 HA ASP A 48 5.056 -6.667 -10.740 1.00 54.31 H new ATOM 0 HB2 ASP A 48 4.541 -7.227 -8.304 1.00 13.53 H new ATOM 0 HB3 ASP A 48 3.967 -8.793 -8.842 1.00 13.53 H new ATOM 719 N THR A 49 3.118 -9.234 -11.497 1.00 51.32 N ATOM 720 CA THR A 49 2.853 -10.296 -12.470 1.00 2.34 C ATOM 721 C THR A 49 2.488 -9.727 -13.855 1.00 24.41 C ATOM 722 O THR A 49 2.788 -10.331 -14.885 1.00 64.44 O ATOM 723 CB THR A 49 1.710 -11.197 -11.953 1.00 31.21 C ATOM 724 OG1 THR A 49 1.886 -11.419 -10.550 1.00 3.11 O ATOM 725 CG2 THR A 49 1.685 -12.542 -12.668 1.00 52.24 C ATOM 0 H THR A 49 2.378 -9.121 -10.804 1.00 51.32 H new ATOM 0 HA THR A 49 3.765 -10.882 -12.585 1.00 2.34 H new ATOM 0 HB THR A 49 0.765 -10.690 -12.150 1.00 31.21 H new ATOM 0 HG1 THR A 49 1.162 -11.989 -10.216 1.00 3.11 H new ATOM 0 HG21 THR A 49 0.867 -13.147 -12.276 1.00 52.24 H new ATOM 0 HG22 THR A 49 1.540 -12.383 -13.737 1.00 52.24 H new ATOM 0 HG23 THR A 49 2.630 -13.059 -12.503 1.00 52.24 H new ATOM 733 N LEU A 50 1.844 -8.564 -13.871 1.00 34.03 N ATOM 734 CA LEU A 50 1.532 -7.866 -15.113 1.00 55.45 C ATOM 735 C LEU A 50 2.775 -7.278 -15.760 1.00 21.23 C ATOM 736 O LEU A 50 2.856 -7.217 -16.973 1.00 15.44 O ATOM 737 CB LEU A 50 0.475 -6.781 -14.903 1.00 24.24 C ATOM 738 CG LEU A 50 -0.943 -7.292 -14.633 1.00 50.02 C ATOM 739 CD1 LEU A 50 -1.910 -6.131 -14.575 1.00 22.11 C ATOM 740 CD2 LEU A 50 -1.377 -8.290 -15.699 1.00 51.22 C ATOM 0 H LEU A 50 1.526 -8.082 -13.030 1.00 34.03 H new ATOM 0 HA LEU A 50 1.121 -8.612 -15.793 1.00 55.45 H new ATOM 0 HB2 LEU A 50 0.783 -6.154 -14.066 1.00 24.24 H new ATOM 0 HB3 LEU A 50 0.452 -6.144 -15.787 1.00 24.24 H new ATOM 0 HG LEU A 50 -0.945 -7.805 -13.671 1.00 50.02 H new ATOM 0 HD11 LEU A 50 -2.916 -6.504 -14.383 1.00 22.11 H new ATOM 0 HD12 LEU A 50 -1.616 -5.452 -13.775 1.00 22.11 H new ATOM 0 HD13 LEU A 50 -1.897 -5.598 -15.526 1.00 22.11 H new ATOM 0 HD21 LEU A 50 -2.388 -8.637 -15.483 1.00 51.22 H new ATOM 0 HD22 LEU A 50 -1.360 -7.808 -16.677 1.00 51.22 H new ATOM 0 HD23 LEU A 50 -0.694 -9.140 -15.701 1.00 51.22 H new ATOM 752 N SER A 51 3.736 -6.838 -14.949 1.00 43.14 N ATOM 753 CA SER A 51 5.026 -6.378 -15.461 1.00 33.22 C ATOM 754 C SER A 51 5.874 -7.569 -15.937 1.00 63.33 C ATOM 755 O SER A 51 6.698 -7.428 -16.842 1.00 13.21 O ATOM 756 CB SER A 51 5.764 -5.579 -14.385 1.00 2.12 C ATOM 757 OG SER A 51 6.891 -4.900 -14.919 1.00 53.43 O ATOM 0 H SER A 51 3.646 -6.790 -13.934 1.00 43.14 H new ATOM 0 HA SER A 51 4.852 -5.726 -16.317 1.00 33.22 H new ATOM 0 HB2 SER A 51 5.082 -4.857 -13.936 1.00 2.12 H new ATOM 0 HB3 SER A 51 6.086 -6.251 -13.589 1.00 2.12 H new ATOM 0 HG SER A 51 7.339 -4.398 -14.206 1.00 53.43 H new ATOM 763 N ARG A 52 5.645 -8.739 -15.322 1.00 21.34 N ATOM 764 CA ARG A 52 6.308 -9.997 -15.685 1.00 63.00 C ATOM 765 C ARG A 52 5.894 -10.457 -17.094 1.00 31.44 C ATOM 766 O ARG A 52 6.711 -10.983 -17.852 1.00 14.13 O ATOM 767 CB ARG A 52 5.928 -11.067 -14.650 1.00 11.23 C ATOM 768 CG ARG A 52 6.900 -12.231 -14.529 1.00 33.23 C ATOM 769 CD ARG A 52 8.235 -11.785 -13.952 1.00 10.14 C ATOM 770 NE ARG A 52 8.095 -11.125 -12.644 1.00 71.42 N ATOM 771 CZ ARG A 52 8.740 -10.003 -12.292 1.00 63.34 C ATOM 772 NH1 ARG A 52 9.567 -9.403 -13.142 1.00 55.25 N ATOM 773 NH2 ARG A 52 8.554 -9.479 -11.090 1.00 62.43 N ATOM 0 H ARG A 52 4.986 -8.838 -14.550 1.00 21.34 H new ATOM 0 HA ARG A 52 7.387 -9.843 -15.691 1.00 63.00 H new ATOM 0 HB2 ARG A 52 5.837 -10.589 -13.675 1.00 11.23 H new ATOM 0 HB3 ARG A 52 4.944 -11.462 -14.905 1.00 11.23 H new ATOM 0 HG2 ARG A 52 6.467 -13.003 -13.893 1.00 33.23 H new ATOM 0 HG3 ARG A 52 7.058 -12.678 -15.510 1.00 33.23 H new ATOM 0 HD2 ARG A 52 8.890 -12.651 -13.850 1.00 10.14 H new ATOM 0 HD3 ARG A 52 8.718 -11.101 -14.650 1.00 10.14 H new ATOM 0 HE ARG A 52 7.467 -11.548 -11.961 1.00 71.42 H new ATOM 0 HH11 ARG A 52 9.716 -9.795 -14.072 1.00 55.25 H new ATOM 0 HH12 ARG A 52 10.053 -8.550 -12.865 1.00 55.25 H new ATOM 0 HH21 ARG A 52 7.919 -9.929 -10.430 1.00 62.43 H new ATOM 0 HH22 ARG A 52 9.045 -8.626 -10.824 1.00 62.43 H new ATOM 787 N ASN A 53 4.613 -10.257 -17.426 1.00 2.01 N ATOM 788 CA ASN A 53 4.085 -10.591 -18.753 1.00 4.32 C ATOM 789 C ASN A 53 4.297 -9.470 -19.771 1.00 30.22 C ATOM 790 O ASN A 53 4.537 -9.733 -20.949 1.00 35.32 O ATOM 791 CB ASN A 53 2.586 -10.924 -18.683 1.00 23.42 C ATOM 792 CG ASN A 53 2.307 -12.305 -18.126 1.00 70.02 C ATOM 793 OD1 ASN A 53 2.338 -13.289 -18.857 1.00 41.23 O ATOM 794 ND2 ASN A 53 2.001 -12.387 -16.848 1.00 32.11 N ATOM 0 H ASN A 53 3.920 -9.863 -16.789 1.00 2.01 H new ATOM 0 HA ASN A 53 4.645 -11.465 -19.087 1.00 4.32 H new ATOM 0 HB2 ASN A 53 2.084 -10.181 -18.063 1.00 23.42 H new ATOM 0 HB3 ASN A 53 2.157 -10.849 -19.682 1.00 23.42 H new ATOM 0 HD21 ASN A 53 1.779 -13.292 -16.434 1.00 32.11 H new ATOM 0 HD22 ASN A 53 1.986 -11.545 -16.272 1.00 32.11 H new ATOM 801 N GLY A 54 4.237 -8.231 -19.299 1.00 70.01 N ATOM 802 CA GLY A 54 4.192 -7.082 -20.186 1.00 3.32 C ATOM 803 C GLY A 54 2.765 -6.755 -20.586 1.00 73.01 C ATOM 804 O GLY A 54 2.490 -6.423 -21.738 1.00 12.12 O ATOM 0 H GLY A 54 4.218 -7.999 -18.306 1.00 70.01 H new ATOM 0 HA2 GLY A 54 4.641 -6.220 -19.692 1.00 3.32 H new ATOM 0 HA3 GLY A 54 4.786 -7.284 -21.078 1.00 3.32 H new ATOM 808 N GLY A 55 1.862 -6.863 -19.617 1.00 63.24 N ATOM 809 CA GLY A 55 0.451 -6.638 -19.844 1.00 62.14 C ATOM 810 C GLY A 55 -0.194 -5.870 -18.719 1.00 42.44 C ATOM 811 O GLY A 55 -1.206 -6.302 -18.183 1.00 42.23 O ATOM 0 H GLY A 55 2.094 -7.109 -18.655 1.00 63.24 H new ATOM 0 HA2 GLY A 55 0.318 -6.091 -20.777 1.00 62.14 H new ATOM 0 HA3 GLY A 55 -0.053 -7.597 -19.962 1.00 62.14 H new ATOM 815 N TYR A 56 0.420 -4.738 -18.365 1.00 60.55 N ATOM 816 CA TYR A 56 -0.054 -3.835 -17.306 1.00 11.43 C ATOM 817 C TYR A 56 -1.359 -3.140 -17.737 1.00 41.43 C ATOM 818 O TYR A 56 -1.344 -2.056 -18.332 1.00 3.35 O ATOM 819 CB TYR A 56 1.059 -2.807 -17.034 1.00 43.20 C ATOM 820 CG TYR A 56 0.972 -2.006 -15.738 1.00 42.02 C ATOM 821 CD1 TYR A 56 0.106 -0.920 -15.596 1.00 12.35 C ATOM 822 CD2 TYR A 56 1.829 -2.293 -14.686 1.00 31.15 C ATOM 823 CE1 TYR A 56 0.100 -0.155 -14.443 1.00 13.23 C ATOM 824 CE2 TYR A 56 1.817 -1.546 -13.526 1.00 21.05 C ATOM 825 CZ TYR A 56 0.961 -0.472 -13.411 1.00 33.31 C ATOM 826 OH TYR A 56 0.993 0.301 -12.276 1.00 72.45 O ATOM 0 H TYR A 56 1.277 -4.415 -18.813 1.00 60.55 H new ATOM 0 HA TYR A 56 -0.273 -4.393 -16.396 1.00 11.43 H new ATOM 0 HB2 TYR A 56 2.013 -3.334 -17.041 1.00 43.20 H new ATOM 0 HB3 TYR A 56 1.077 -2.102 -17.865 1.00 43.20 H new ATOM 0 HD1 TYR A 56 -0.571 -0.673 -16.400 1.00 12.35 H new ATOM 0 HD2 TYR A 56 2.520 -3.118 -14.777 1.00 31.15 H new ATOM 0 HE1 TYR A 56 -0.573 0.684 -14.351 1.00 13.23 H new ATOM 0 HE2 TYR A 56 2.477 -1.802 -12.710 1.00 21.05 H new ATOM 0 HH TYR A 56 0.084 0.405 -11.925 1.00 72.45 H new ATOM 836 N LYS A 57 -2.475 -3.815 -17.484 1.00 12.23 N ATOM 837 CA LYS A 57 -3.800 -3.344 -17.867 1.00 70.45 C ATOM 838 C LYS A 57 -4.286 -2.249 -16.936 1.00 65.33 C ATOM 839 O LYS A 57 -4.102 -2.334 -15.735 1.00 64.15 O ATOM 840 CB LYS A 57 -4.806 -4.502 -17.829 1.00 33.14 C ATOM 841 CG LYS A 57 -4.528 -5.623 -18.817 1.00 25.43 C ATOM 842 CD LYS A 57 -5.533 -6.751 -18.655 1.00 50.31 C ATOM 843 CE LYS A 57 -5.439 -7.776 -19.778 1.00 74.30 C ATOM 844 NZ LYS A 57 -4.147 -8.513 -19.770 1.00 4.33 N ATOM 0 H LYS A 57 -2.485 -4.714 -17.002 1.00 12.23 H new ATOM 0 HA LYS A 57 -3.725 -2.944 -18.878 1.00 70.45 H new ATOM 0 HB2 LYS A 57 -4.820 -4.920 -16.822 1.00 33.14 H new ATOM 0 HB3 LYS A 57 -5.802 -4.105 -18.023 1.00 33.14 H new ATOM 0 HG2 LYS A 57 -4.572 -5.235 -19.835 1.00 25.43 H new ATOM 0 HG3 LYS A 57 -3.519 -6.005 -18.665 1.00 25.43 H new ATOM 0 HD2 LYS A 57 -5.368 -7.247 -17.699 1.00 50.31 H new ATOM 0 HD3 LYS A 57 -6.540 -6.336 -18.629 1.00 50.31 H new ATOM 0 HE2 LYS A 57 -6.260 -8.487 -19.686 1.00 74.30 H new ATOM 0 HE3 LYS A 57 -5.560 -7.272 -20.737 1.00 74.30 H new ATOM 0 HZ1 LYS A 57 -4.133 -9.198 -20.553 1.00 4.33 H new ATOM 0 HZ2 LYS A 57 -3.363 -7.840 -19.885 1.00 4.33 H new ATOM 0 HZ3 LYS A 57 -4.041 -9.018 -18.867 1.00 4.33 H new ATOM 858 N MET A 58 -4.880 -1.215 -17.501 1.00 64.21 N ATOM 859 CA MET A 58 -5.584 -0.211 -16.715 1.00 4.55 C ATOM 860 C MET A 58 -6.972 -0.040 -17.303 1.00 65.53 C ATOM 861 O MET A 58 -7.106 0.230 -18.499 1.00 23.11 O ATOM 862 CB MET A 58 -4.865 1.143 -16.716 1.00 25.52 C ATOM 863 CG MET A 58 -3.450 1.112 -16.155 1.00 11.34 C ATOM 864 SD MET A 58 -2.684 2.741 -16.114 1.00 43.22 S ATOM 865 CE MET A 58 -3.710 3.575 -14.903 1.00 53.33 C ATOM 0 H MET A 58 -4.891 -1.045 -18.507 1.00 64.21 H new ATOM 0 HA MET A 58 -5.626 -0.553 -15.681 1.00 4.55 H new ATOM 0 HB2 MET A 58 -4.828 1.519 -17.739 1.00 25.52 H new ATOM 0 HB3 MET A 58 -5.455 1.853 -16.137 1.00 25.52 H new ATOM 0 HG2 MET A 58 -3.472 0.700 -15.146 1.00 11.34 H new ATOM 0 HG3 MET A 58 -2.838 0.442 -16.759 1.00 11.34 H new ATOM 0 HE1 MET A 58 -3.380 4.608 -14.796 1.00 53.33 H new ATOM 0 HE2 MET A 58 -4.749 3.559 -15.233 1.00 53.33 H new ATOM 0 HE3 MET A 58 -3.626 3.066 -13.943 1.00 53.33 H new ATOM 875 N VAL A 59 -8.009 -0.197 -16.480 1.00 42.45 N ATOM 876 CA VAL A 59 -9.385 -0.096 -16.984 1.00 43.03 C ATOM 877 C VAL A 59 -9.911 1.349 -16.883 1.00 50.34 C ATOM 878 O VAL A 59 -11.034 1.651 -17.296 1.00 32.21 O ATOM 879 CB VAL A 59 -10.359 -1.098 -16.285 1.00 74.30 C ATOM 880 CG1 VAL A 59 -9.810 -2.519 -16.332 1.00 63.55 C ATOM 881 CG2 VAL A 59 -10.672 -0.712 -14.846 1.00 5.21 C ATOM 0 H VAL A 59 -7.930 -0.391 -15.482 1.00 42.45 H new ATOM 0 HA VAL A 59 -9.351 -0.376 -18.037 1.00 43.03 H new ATOM 0 HB VAL A 59 -11.293 -1.053 -16.846 1.00 74.30 H new ATOM 0 HG11 VAL A 59 -10.508 -3.195 -15.838 1.00 63.55 H new ATOM 0 HG12 VAL A 59 -9.681 -2.825 -17.370 1.00 63.55 H new ATOM 0 HG13 VAL A 59 -8.848 -2.554 -15.821 1.00 63.55 H new ATOM 0 HG21 VAL A 59 -11.353 -1.445 -14.413 1.00 5.21 H new ATOM 0 HG22 VAL A 59 -9.749 -0.687 -14.267 1.00 5.21 H new ATOM 0 HG23 VAL A 59 -11.139 0.273 -14.827 1.00 5.21 H new ATOM 891 N GLU A 60 -9.058 2.218 -16.352 1.00 74.03 N ATOM 892 CA GLU A 60 -9.338 3.630 -16.162 1.00 13.24 C ATOM 893 C GLU A 60 -7.976 4.313 -16.008 1.00 35.50 C ATOM 894 O GLU A 60 -7.091 3.761 -15.357 1.00 32.22 O ATOM 895 CB GLU A 60 -10.235 3.786 -14.920 1.00 3.13 C ATOM 896 CG GLU A 60 -11.037 5.072 -14.821 1.00 32.02 C ATOM 897 CD GLU A 60 -10.236 6.253 -14.341 1.00 74.45 C ATOM 898 OE1 GLU A 60 -9.612 6.165 -13.264 1.00 3.24 O ATOM 899 OE2 GLU A 60 -10.207 7.264 -15.058 1.00 32.12 O ATOM 0 H GLU A 60 -8.127 1.948 -16.034 1.00 74.03 H new ATOM 0 HA GLU A 60 -9.874 4.086 -16.994 1.00 13.24 H new ATOM 0 HB2 GLU A 60 -10.931 2.947 -14.894 1.00 3.13 H new ATOM 0 HB3 GLU A 60 -9.607 3.707 -14.033 1.00 3.13 H new ATOM 0 HG2 GLU A 60 -11.457 5.303 -15.800 1.00 32.02 H new ATOM 0 HG3 GLU A 60 -11.876 4.915 -14.143 1.00 32.02 H new ATOM 906 N TYR A 61 -7.782 5.462 -16.644 1.00 44.43 N ATOM 907 CA TYR A 61 -6.435 6.045 -16.746 1.00 32.34 C ATOM 908 C TYR A 61 -6.253 7.309 -15.906 1.00 2.31 C ATOM 909 O TYR A 61 -5.132 7.812 -15.778 1.00 21.12 O ATOM 910 CB TYR A 61 -6.097 6.341 -18.210 1.00 60.42 C ATOM 911 CG TYR A 61 -6.134 5.121 -19.107 1.00 1.23 C ATOM 912 CD1 TYR A 61 -5.103 4.192 -19.093 1.00 42.15 C ATOM 913 CD2 TYR A 61 -7.209 4.894 -19.959 1.00 24.44 C ATOM 914 CE1 TYR A 61 -5.144 3.073 -19.898 1.00 51.32 C ATOM 915 CE2 TYR A 61 -7.254 3.778 -20.768 1.00 31.43 C ATOM 916 CZ TYR A 61 -6.221 2.871 -20.733 1.00 52.45 C ATOM 917 OH TYR A 61 -6.265 1.752 -21.529 1.00 1.20 O ATOM 0 H TYR A 61 -8.520 6.006 -17.092 1.00 44.43 H new ATOM 0 HA TYR A 61 -5.748 5.300 -16.344 1.00 32.34 H new ATOM 0 HB2 TYR A 61 -6.799 7.082 -18.592 1.00 60.42 H new ATOM 0 HB3 TYR A 61 -5.104 6.787 -18.260 1.00 60.42 H new ATOM 0 HD1 TYR A 61 -4.256 4.348 -18.442 1.00 42.15 H new ATOM 0 HD2 TYR A 61 -8.023 5.604 -19.988 1.00 24.44 H new ATOM 0 HE1 TYR A 61 -4.335 2.358 -19.874 1.00 51.32 H new ATOM 0 HE2 TYR A 61 -8.096 3.617 -21.425 1.00 31.43 H new ATOM 0 HH TYR A 61 -7.091 1.758 -22.057 1.00 1.20 H new ATOM 927 N GLY A 62 -7.345 7.802 -15.326 1.00 73.12 N ATOM 928 CA GLY A 62 -7.312 9.011 -14.514 1.00 34.21 C ATOM 929 C GLY A 62 -6.681 8.788 -13.158 1.00 14.32 C ATOM 930 O GLY A 62 -5.963 9.655 -12.653 1.00 24.40 O ATOM 0 H GLY A 62 -8.269 7.377 -15.406 1.00 73.12 H new ATOM 0 HA2 GLY A 62 -6.758 9.785 -15.045 1.00 34.21 H new ATOM 0 HA3 GLY A 62 -8.328 9.382 -14.380 1.00 34.21 H new ATOM 934 N GLY A 63 -6.918 7.609 -12.583 1.00 23.42 N ATOM 935 CA GLY A 63 -6.329 7.260 -11.303 1.00 75.31 C ATOM 936 C GLY A 63 -5.034 6.474 -11.444 1.00 75.30 C ATOM 937 O GLY A 63 -4.848 5.460 -10.771 1.00 42.21 O ATOM 0 H GLY A 63 -7.513 6.885 -12.987 1.00 23.42 H new ATOM 0 HA2 GLY A 63 -6.136 8.171 -10.737 1.00 75.31 H new ATOM 0 HA3 GLY A 63 -7.044 6.673 -10.727 1.00 75.31 H new ATOM 941 N ALA A 64 -4.139 6.961 -12.313 1.00 4.54 N ATOM 942 CA ALA A 64 -2.824 6.344 -12.538 1.00 43.02 C ATOM 943 C ALA A 64 -1.914 6.507 -11.321 1.00 0.20 C ATOM 944 O ALA A 64 -1.105 5.635 -11.007 1.00 23.03 O ATOM 945 CB ALA A 64 -2.164 6.953 -13.769 1.00 12.11 C ATOM 0 H ALA A 64 -4.305 7.793 -12.880 1.00 4.54 H new ATOM 0 HA ALA A 64 -2.978 5.277 -12.701 1.00 43.02 H new ATOM 0 HB1 ALA A 64 -1.190 6.489 -13.927 1.00 12.11 H new ATOM 0 HB2 ALA A 64 -2.794 6.781 -14.642 1.00 12.11 H new ATOM 0 HB3 ALA A 64 -2.035 8.025 -13.620 1.00 12.11 H new ATOM 951 N GLN A 65 -2.081 7.630 -10.628 1.00 62.11 N ATOM 952 CA GLN A 65 -1.316 7.933 -9.425 1.00 32.23 C ATOM 953 C GLN A 65 -2.011 7.422 -8.156 1.00 63.01 C ATOM 954 O GLN A 65 -1.392 7.382 -7.090 1.00 33.45 O ATOM 955 CB GLN A 65 -1.029 9.448 -9.321 1.00 21.31 C ATOM 956 CG GLN A 65 -2.219 10.377 -9.040 1.00 74.34 C ATOM 957 CD GLN A 65 -3.188 10.536 -10.200 1.00 70.10 C ATOM 958 OE1 GLN A 65 -2.978 11.347 -11.094 1.00 52.14 O ATOM 959 NE2 GLN A 65 -4.288 9.809 -10.156 1.00 65.11 N ATOM 0 H GLN A 65 -2.751 8.355 -10.886 1.00 62.11 H new ATOM 0 HA GLN A 65 -0.366 7.406 -9.508 1.00 32.23 H new ATOM 0 HB2 GLN A 65 -0.292 9.597 -8.532 1.00 21.31 H new ATOM 0 HB3 GLN A 65 -0.566 9.768 -10.255 1.00 21.31 H new ATOM 0 HG2 GLN A 65 -2.765 9.995 -8.178 1.00 74.34 H new ATOM 0 HG3 GLN A 65 -1.838 11.361 -8.765 1.00 74.34 H new ATOM 0 HE21 GLN A 65 -4.429 9.143 -9.396 1.00 65.11 H new ATOM 0 HE22 GLN A 65 -4.997 9.913 -10.882 1.00 65.11 H new ATOM 968 N ALA A 66 -3.282 6.992 -8.294 1.00 10.42 N ATOM 969 CA ALA A 66 -4.099 6.535 -7.162 1.00 43.13 C ATOM 970 C ALA A 66 -3.648 5.166 -6.674 1.00 2.44 C ATOM 971 O ALA A 66 -3.763 4.846 -5.484 1.00 64.22 O ATOM 972 CB ALA A 66 -5.573 6.503 -7.547 1.00 72.25 C ATOM 0 H ALA A 66 -3.765 6.954 -9.192 1.00 10.42 H new ATOM 0 HA ALA A 66 -3.966 7.244 -6.345 1.00 43.13 H new ATOM 0 HB1 ALA A 66 -6.164 6.162 -6.697 1.00 72.25 H new ATOM 0 HB2 ALA A 66 -5.896 7.503 -7.835 1.00 72.25 H new ATOM 0 HB3 ALA A 66 -5.715 5.820 -8.385 1.00 72.25 H new ATOM 978 N GLU A 67 -3.136 4.370 -7.602 1.00 32.14 N ATOM 979 CA GLU A 67 -2.523 3.104 -7.266 1.00 43.13 C ATOM 980 C GLU A 67 -1.016 3.302 -7.018 1.00 21.23 C ATOM 981 O GLU A 67 -0.388 4.201 -7.597 1.00 32.23 O ATOM 982 CB GLU A 67 -2.823 2.061 -8.355 1.00 44.52 C ATOM 983 CG GLU A 67 -2.510 2.511 -9.769 1.00 61.13 C ATOM 984 CD GLU A 67 -1.287 1.821 -10.306 1.00 23.24 C ATOM 985 OE1 GLU A 67 -0.166 2.265 -10.002 1.00 41.23 O ATOM 986 OE2 GLU A 67 -1.430 0.805 -11.002 1.00 70.15 O ATOM 0 H GLU A 67 -3.136 4.586 -8.599 1.00 32.14 H new ATOM 0 HA GLU A 67 -2.950 2.717 -6.341 1.00 43.13 H new ATOM 0 HB2 GLU A 67 -2.251 1.158 -8.141 1.00 44.52 H new ATOM 0 HB3 GLU A 67 -3.878 1.791 -8.299 1.00 44.52 H new ATOM 0 HG2 GLU A 67 -3.362 2.301 -10.416 1.00 61.13 H new ATOM 0 HG3 GLU A 67 -2.357 3.590 -9.784 1.00 61.13 H new ATOM 993 N TRP A 68 -0.453 2.476 -6.144 1.00 72.10 N ATOM 994 CA TRP A 68 0.892 2.704 -5.603 1.00 70.15 C ATOM 995 C TRP A 68 2.000 2.193 -6.523 1.00 72.31 C ATOM 996 O TRP A 68 2.258 0.987 -6.580 1.00 22.14 O ATOM 997 CB TRP A 68 1.027 2.028 -4.229 1.00 73.54 C ATOM 998 CG TRP A 68 -0.082 2.351 -3.280 1.00 0.14 C ATOM 999 CD1 TRP A 68 -0.966 1.470 -2.736 1.00 22.31 C ATOM 1000 CD2 TRP A 68 -0.435 3.643 -2.777 1.00 0.41 C ATOM 1001 NE1 TRP A 68 -1.867 2.131 -1.942 1.00 4.03 N ATOM 1002 CE2 TRP A 68 -1.556 3.471 -1.944 1.00 60.03 C ATOM 1003 CE3 TRP A 68 0.088 4.928 -2.952 1.00 4.43 C ATOM 1004 CZ2 TRP A 68 -2.163 4.539 -1.296 1.00 11.42 C ATOM 1005 CZ3 TRP A 68 -0.512 5.981 -2.304 1.00 21.31 C ATOM 1006 CH2 TRP A 68 -1.627 5.784 -1.485 1.00 4.14 C ATOM 0 H TRP A 68 -0.907 1.634 -5.789 1.00 72.10 H new ATOM 0 HA TRP A 68 1.012 3.784 -5.514 1.00 70.15 H new ATOM 0 HB2 TRP A 68 1.068 0.948 -4.370 1.00 73.54 H new ATOM 0 HB3 TRP A 68 1.974 2.327 -3.780 1.00 73.54 H new ATOM 0 HD1 TRP A 68 -0.958 0.403 -2.906 1.00 22.31 H new ATOM 0 HE1 TRP A 68 -2.640 1.701 -1.434 1.00 4.03 H new ATOM 0 HE3 TRP A 68 0.948 5.090 -3.585 1.00 4.43 H new ATOM 0 HZ2 TRP A 68 -3.027 4.392 -0.665 1.00 11.42 H new ATOM 0 HZ3 TRP A 68 -0.115 6.978 -2.430 1.00 21.31 H new ATOM 0 HH2 TRP A 68 -2.076 6.633 -0.990 1.00 4.14 H new ATOM 1017 N HIS A 69 2.656 3.111 -7.250 1.00 40.51 N ATOM 1018 CA HIS A 69 3.833 2.746 -8.048 1.00 71.21 C ATOM 1019 C HIS A 69 4.899 3.865 -8.072 1.00 0.31 C ATOM 1020 O HIS A 69 6.088 3.579 -8.198 1.00 32.13 O ATOM 1021 CB HIS A 69 3.438 2.295 -9.496 1.00 52.54 C ATOM 1022 CG HIS A 69 3.164 3.381 -10.507 1.00 4.00 C ATOM 1023 ND1 HIS A 69 1.951 4.016 -10.636 1.00 75.32 N ATOM 1024 CD2 HIS A 69 3.970 3.932 -11.449 1.00 73.12 C ATOM 1025 CE1 HIS A 69 2.021 4.909 -11.603 1.00 24.33 C ATOM 1026 NE2 HIS A 69 3.231 4.878 -12.111 1.00 13.24 N ATOM 0 H HIS A 69 2.396 4.096 -7.301 1.00 40.51 H new ATOM 0 HA HIS A 69 4.289 1.889 -7.552 1.00 71.21 H new ATOM 0 HB2 HIS A 69 4.240 1.667 -9.884 1.00 52.54 H new ATOM 0 HB3 HIS A 69 2.549 1.669 -9.424 1.00 52.54 H new ATOM 0 HD1 HIS A 69 1.124 3.825 -10.070 1.00 75.32 H new ATOM 0 HD2 HIS A 69 5.001 3.674 -11.641 1.00 73.12 H new ATOM 0 HE1 HIS A 69 1.218 5.557 -11.923 1.00 24.33 H new ATOM 1035 N GLU A 70 4.477 5.131 -7.963 1.00 2.32 N ATOM 1036 CA GLU A 70 5.394 6.242 -8.226 1.00 61.01 C ATOM 1037 C GLU A 70 5.587 7.140 -7.004 1.00 22.43 C ATOM 1038 O GLU A 70 6.712 7.338 -6.558 1.00 65.15 O ATOM 1039 CB GLU A 70 4.889 7.057 -9.420 1.00 11.34 C ATOM 1040 CG GLU A 70 5.963 7.904 -10.084 1.00 51.04 C ATOM 1041 CD GLU A 70 7.104 7.073 -10.626 1.00 73.50 C ATOM 1042 OE1 GLU A 70 6.860 6.221 -11.502 1.00 42.22 O ATOM 1043 OE2 GLU A 70 8.251 7.273 -10.191 1.00 13.32 O ATOM 0 H GLU A 70 3.530 5.406 -7.701 1.00 2.32 H new ATOM 0 HA GLU A 70 6.370 5.817 -8.460 1.00 61.01 H new ATOM 0 HB2 GLU A 70 4.467 6.377 -10.160 1.00 11.34 H new ATOM 0 HB3 GLU A 70 4.080 7.708 -9.088 1.00 11.34 H new ATOM 0 HG2 GLU A 70 5.518 8.478 -10.897 1.00 51.04 H new ATOM 0 HG3 GLU A 70 6.352 8.623 -9.363 1.00 51.04 H new ATOM 1050 N GLN A 71 4.484 7.655 -6.448 1.00 34.21 N ATOM 1051 CA GLN A 71 4.533 8.530 -5.261 1.00 12.10 C ATOM 1052 C GLN A 71 4.722 7.713 -3.987 1.00 41.13 C ATOM 1053 O GLN A 71 5.081 8.249 -2.935 1.00 74.44 O ATOM 1054 CB GLN A 71 3.246 9.357 -5.122 1.00 60.21 C ATOM 1055 CG GLN A 71 3.132 10.586 -6.022 1.00 42.32 C ATOM 1056 CD GLN A 71 2.958 10.271 -7.495 1.00 13.23 C ATOM 1057 OE1 GLN A 71 1.847 10.054 -7.965 1.00 33.31 O ATOM 1058 NE2 GLN A 71 4.051 10.286 -8.233 1.00 22.30 N ATOM 0 H GLN A 71 3.542 7.483 -6.799 1.00 34.21 H new ATOM 0 HA GLN A 71 5.381 9.200 -5.399 1.00 12.10 H new ATOM 0 HB2 GLN A 71 2.396 8.705 -5.324 1.00 60.21 H new ATOM 0 HB3 GLN A 71 3.158 9.682 -4.085 1.00 60.21 H new ATOM 0 HG2 GLN A 71 2.286 11.187 -5.689 1.00 42.32 H new ATOM 0 HG3 GLN A 71 4.026 11.197 -5.897 1.00 42.32 H new ATOM 0 HE21 GLN A 71 4.956 10.471 -7.800 1.00 22.30 H new ATOM 0 HE22 GLN A 71 3.991 10.113 -9.236 1.00 22.30 H new ATOM 1067 N ALA A 72 4.507 6.402 -4.119 1.00 53.30 N ATOM 1068 CA ALA A 72 4.544 5.465 -3.015 1.00 51.33 C ATOM 1069 C ALA A 72 5.939 5.297 -2.421 1.00 60.23 C ATOM 1070 O ALA A 72 6.045 4.916 -1.271 1.00 24.04 O ATOM 1071 CB ALA A 72 4.001 4.126 -3.462 1.00 22.44 C ATOM 0 H ALA A 72 4.299 5.963 -5.016 1.00 53.30 H new ATOM 0 HA ALA A 72 3.917 5.877 -2.224 1.00 51.33 H new ATOM 0 HB1 ALA A 72 4.031 3.425 -2.628 1.00 22.44 H new ATOM 0 HB2 ALA A 72 2.971 4.245 -3.799 1.00 22.44 H new ATOM 0 HB3 ALA A 72 4.609 3.742 -4.281 1.00 22.44 H new ATOM 1077 N GLU A 73 6.995 5.570 -3.205 1.00 24.24 N ATOM 1078 CA GLU A 73 8.384 5.428 -2.733 1.00 71.42 C ATOM 1079 C GLU A 73 8.751 6.424 -1.607 1.00 33.42 C ATOM 1080 O GLU A 73 9.567 6.110 -0.742 1.00 52.52 O ATOM 1081 CB GLU A 73 9.377 5.553 -3.896 1.00 23.20 C ATOM 1082 CG GLU A 73 9.305 6.875 -4.643 1.00 64.01 C ATOM 1083 CD GLU A 73 10.470 7.104 -5.581 1.00 62.31 C ATOM 1084 OE1 GLU A 73 11.403 6.277 -5.611 1.00 14.01 O ATOM 1085 OE2 GLU A 73 10.462 8.128 -6.279 1.00 53.12 O ATOM 0 H GLU A 73 6.914 5.891 -4.170 1.00 24.24 H new ATOM 0 HA GLU A 73 8.455 4.428 -2.306 1.00 71.42 H new ATOM 0 HB2 GLU A 73 10.388 5.422 -3.510 1.00 23.20 H new ATOM 0 HB3 GLU A 73 9.197 4.741 -4.601 1.00 23.20 H new ATOM 0 HG2 GLU A 73 8.377 6.910 -5.214 1.00 64.01 H new ATOM 0 HG3 GLU A 73 9.266 7.690 -3.920 1.00 64.01 H new ATOM 1092 N LYS A 74 8.152 7.619 -1.625 1.00 75.11 N ATOM 1093 CA LYS A 74 8.320 8.606 -0.563 1.00 42.02 C ATOM 1094 C LYS A 74 7.570 8.168 0.695 1.00 34.33 C ATOM 1095 O LYS A 74 8.044 8.334 1.822 1.00 54.23 O ATOM 1096 CB LYS A 74 7.773 9.958 -1.051 1.00 11.22 C ATOM 1097 CG LYS A 74 8.754 10.849 -1.815 1.00 31.01 C ATOM 1098 CD LYS A 74 9.452 10.171 -2.985 1.00 24.12 C ATOM 1099 CE LYS A 74 10.401 11.125 -3.686 1.00 31.01 C ATOM 1100 NZ LYS A 74 11.249 10.432 -4.686 1.00 45.11 N ATOM 0 H LYS A 74 7.537 7.926 -2.379 1.00 75.11 H new ATOM 0 HA LYS A 74 9.378 8.698 -0.319 1.00 42.02 H new ATOM 0 HB2 LYS A 74 6.913 9.768 -1.692 1.00 11.22 H new ATOM 0 HB3 LYS A 74 7.409 10.512 -0.186 1.00 11.22 H new ATOM 0 HG2 LYS A 74 8.217 11.722 -2.186 1.00 31.01 H new ATOM 0 HG3 LYS A 74 9.511 11.212 -1.120 1.00 31.01 H new ATOM 0 HD2 LYS A 74 10.004 9.302 -2.628 1.00 24.12 H new ATOM 0 HD3 LYS A 74 8.708 9.807 -3.694 1.00 24.12 H new ATOM 0 HE2 LYS A 74 9.827 11.910 -4.179 1.00 31.01 H new ATOM 0 HE3 LYS A 74 11.037 11.612 -2.947 1.00 31.01 H new ATOM 0 HZ1 LYS A 74 11.527 11.103 -5.430 1.00 45.11 H new ATOM 0 HZ2 LYS A 74 12.101 10.059 -4.220 1.00 45.11 H new ATOM 0 HZ3 LYS A 74 10.714 9.647 -5.110 1.00 45.11 H new ATOM 1114 N VAL A 75 6.411 7.567 0.456 1.00 31.14 N ATOM 1115 CA VAL A 75 5.477 7.157 1.492 1.00 32.31 C ATOM 1116 C VAL A 75 5.980 5.914 2.263 1.00 70.32 C ATOM 1117 O VAL A 75 5.859 5.842 3.490 1.00 1.33 O ATOM 1118 CB VAL A 75 4.100 6.882 0.832 1.00 12.21 C ATOM 1119 CG1 VAL A 75 3.067 6.482 1.847 1.00 32.44 C ATOM 1120 CG2 VAL A 75 3.606 8.099 0.064 1.00 54.34 C ATOM 0 H VAL A 75 6.089 7.347 -0.486 1.00 31.14 H new ATOM 0 HA VAL A 75 5.385 7.958 2.225 1.00 32.31 H new ATOM 0 HB VAL A 75 4.245 6.054 0.138 1.00 12.21 H new ATOM 0 HG11 VAL A 75 2.117 6.298 1.346 1.00 32.44 H new ATOM 0 HG12 VAL A 75 3.390 5.574 2.357 1.00 32.44 H new ATOM 0 HG13 VAL A 75 2.944 7.283 2.576 1.00 32.44 H new ATOM 0 HG21 VAL A 75 2.639 7.876 -0.388 1.00 54.34 H new ATOM 0 HG22 VAL A 75 3.502 8.942 0.747 1.00 54.34 H new ATOM 0 HG23 VAL A 75 4.322 8.351 -0.718 1.00 54.34 H new ATOM 1130 N GLU A 76 6.567 4.961 1.527 1.00 61.40 N ATOM 1131 CA GLU A 76 7.084 3.714 2.101 1.00 3.30 C ATOM 1132 C GLU A 76 8.302 3.960 3.000 1.00 31.22 C ATOM 1133 O GLU A 76 8.493 3.250 3.984 1.00 65.32 O ATOM 1134 CB GLU A 76 7.396 2.677 0.993 1.00 61.30 C ATOM 1135 CG GLU A 76 8.401 3.110 -0.062 1.00 23.30 C ATOM 1136 CD GLU A 76 9.752 2.457 0.090 1.00 70.44 C ATOM 1137 OE1 GLU A 76 9.937 1.359 -0.455 1.00 34.33 O ATOM 1138 OE2 GLU A 76 10.635 3.040 0.743 1.00 20.05 O ATOM 0 H GLU A 76 6.696 5.034 0.518 1.00 61.40 H new ATOM 0 HA GLU A 76 6.301 3.298 2.735 1.00 3.30 H new ATOM 0 HB2 GLU A 76 7.766 1.768 1.468 1.00 61.30 H new ATOM 0 HB3 GLU A 76 6.463 2.418 0.493 1.00 61.30 H new ATOM 0 HG2 GLU A 76 8.003 2.877 -1.049 1.00 23.30 H new ATOM 0 HG3 GLU A 76 8.522 4.192 -0.015 1.00 23.30 H new ATOM 1145 N ALA A 77 9.108 4.974 2.645 1.00 12.22 N ATOM 1146 CA ALA A 77 10.248 5.409 3.451 1.00 2.33 C ATOM 1147 C ALA A 77 9.816 5.896 4.830 1.00 3.33 C ATOM 1148 O ALA A 77 10.467 5.589 5.828 1.00 54.50 O ATOM 1149 CB ALA A 77 11.005 6.501 2.719 1.00 45.44 C ATOM 0 H ALA A 77 8.983 5.513 1.788 1.00 12.22 H new ATOM 0 HA ALA A 77 10.901 4.550 3.601 1.00 2.33 H new ATOM 0 HB1 ALA A 77 11.854 6.823 3.323 1.00 45.44 H new ATOM 0 HB2 ALA A 77 11.364 6.118 1.764 1.00 45.44 H new ATOM 0 HB3 ALA A 77 10.342 7.349 2.544 1.00 45.44 H new ATOM 1155 N TYR A 78 8.685 6.610 4.869 1.00 53.24 N ATOM 1156 CA TYR A 78 8.128 7.136 6.110 1.00 65.31 C ATOM 1157 C TYR A 78 7.573 6.013 6.991 1.00 75.11 C ATOM 1158 O TYR A 78 7.676 6.084 8.205 1.00 34.11 O ATOM 1159 CB TYR A 78 7.035 8.163 5.796 1.00 15.14 C ATOM 1160 CG TYR A 78 6.508 8.910 7.010 1.00 3.51 C ATOM 1161 CD1 TYR A 78 7.277 9.879 7.642 1.00 3.41 C ATOM 1162 CD2 TYR A 78 5.238 8.654 7.514 1.00 54.52 C ATOM 1163 CE1 TYR A 78 6.798 10.564 8.743 1.00 52.20 C ATOM 1164 CE2 TYR A 78 4.753 9.337 8.610 1.00 14.43 C ATOM 1165 CZ TYR A 78 5.535 10.293 9.219 1.00 55.10 C ATOM 1166 OH TYR A 78 5.055 10.979 10.312 1.00 1.24 O ATOM 0 H TYR A 78 8.135 6.836 4.040 1.00 53.24 H new ATOM 0 HA TYR A 78 8.929 7.625 6.665 1.00 65.31 H new ATOM 0 HB2 TYR A 78 7.428 8.887 5.082 1.00 15.14 H new ATOM 0 HB3 TYR A 78 6.204 7.653 5.309 1.00 15.14 H new ATOM 0 HD1 TYR A 78 8.265 10.101 7.267 1.00 3.41 H new ATOM 0 HD2 TYR A 78 4.620 7.907 7.039 1.00 54.52 H new ATOM 0 HE1 TYR A 78 7.412 11.309 9.228 1.00 52.20 H new ATOM 0 HE2 TYR A 78 3.764 9.123 8.989 1.00 14.43 H new ATOM 0 HH TYR A 78 4.148 10.670 10.520 1.00 1.24 H new ATOM 1176 N LEU A 79 7.015 4.973 6.363 1.00 33.41 N ATOM 1177 CA LEU A 79 6.432 3.838 7.081 1.00 22.34 C ATOM 1178 C LEU A 79 7.508 3.053 7.845 1.00 64.33 C ATOM 1179 O LEU A 79 7.300 2.683 9.004 1.00 32.02 O ATOM 1180 CB LEU A 79 5.669 2.935 6.082 1.00 13.50 C ATOM 1181 CG LEU A 79 4.684 1.885 6.656 1.00 11.32 C ATOM 1182 CD1 LEU A 79 5.381 0.582 7.024 1.00 55.11 C ATOM 1183 CD2 LEU A 79 3.932 2.442 7.860 1.00 53.40 C ATOM 0 H LEU A 79 6.955 4.895 5.348 1.00 33.41 H new ATOM 0 HA LEU A 79 5.727 4.210 7.824 1.00 22.34 H new ATOM 0 HB2 LEU A 79 5.110 3.582 5.406 1.00 13.50 H new ATOM 0 HB3 LEU A 79 6.407 2.406 5.479 1.00 13.50 H new ATOM 0 HG LEU A 79 3.967 1.661 5.866 1.00 11.32 H new ATOM 0 HD11 LEU A 79 4.650 -0.122 7.422 1.00 55.11 H new ATOM 0 HD12 LEU A 79 5.849 0.156 6.136 1.00 55.11 H new ATOM 0 HD13 LEU A 79 6.144 0.778 7.778 1.00 55.11 H new ATOM 0 HD21 LEU A 79 3.248 1.685 8.243 1.00 53.40 H new ATOM 0 HD22 LEU A 79 4.644 2.716 8.639 1.00 53.40 H new ATOM 0 HD23 LEU A 79 3.366 3.324 7.559 1.00 53.40 H new ATOM 1195 N VAL A 80 8.649 2.818 7.194 1.00 70.31 N ATOM 1196 CA VAL A 80 9.751 2.056 7.794 1.00 33.42 C ATOM 1197 C VAL A 80 10.416 2.830 8.944 1.00 15.13 C ATOM 1198 O VAL A 80 10.723 2.249 9.979 1.00 31.21 O ATOM 1199 CB VAL A 80 10.814 1.652 6.728 1.00 63.54 C ATOM 1200 CG1 VAL A 80 11.946 0.833 7.342 1.00 0.41 C ATOM 1201 CG2 VAL A 80 10.166 0.867 5.599 1.00 15.50 C ATOM 0 H VAL A 80 8.836 3.145 6.246 1.00 70.31 H new ATOM 0 HA VAL A 80 9.317 1.145 8.205 1.00 33.42 H new ATOM 0 HB VAL A 80 11.239 2.573 6.329 1.00 63.54 H new ATOM 0 HG11 VAL A 80 12.667 0.571 6.568 1.00 0.41 H new ATOM 0 HG12 VAL A 80 12.442 1.420 8.115 1.00 0.41 H new ATOM 0 HG13 VAL A 80 11.539 -0.077 7.782 1.00 0.41 H new ATOM 0 HG21 VAL A 80 10.923 0.594 4.864 1.00 15.50 H new ATOM 0 HG22 VAL A 80 9.707 -0.037 6.001 1.00 15.50 H new ATOM 0 HG23 VAL A 80 9.402 1.480 5.121 1.00 15.50 H new ATOM 1211 N GLU A 81 10.589 4.143 8.788 1.00 1.52 N ATOM 1212 CA GLU A 81 11.233 4.946 9.832 1.00 34.41 C ATOM 1213 C GLU A 81 10.282 5.215 11.017 1.00 25.10 C ATOM 1214 O GLU A 81 10.731 5.546 12.114 1.00 72.43 O ATOM 1215 CB GLU A 81 11.792 6.262 9.260 1.00 42.02 C ATOM 1216 CG GLU A 81 10.740 7.237 8.749 1.00 35.45 C ATOM 1217 CD GLU A 81 11.346 8.500 8.195 1.00 63.44 C ATOM 1218 OE1 GLU A 81 11.804 9.341 8.989 1.00 33.32 O ATOM 1219 OE2 GLU A 81 11.373 8.659 6.963 1.00 31.53 O ATOM 0 H GLU A 81 10.298 4.668 7.963 1.00 1.52 H new ATOM 0 HA GLU A 81 12.071 4.364 10.214 1.00 34.41 H new ATOM 0 HB2 GLU A 81 12.380 6.757 10.033 1.00 42.02 H new ATOM 0 HB3 GLU A 81 12.474 6.025 8.444 1.00 42.02 H new ATOM 0 HG2 GLU A 81 10.146 6.752 7.974 1.00 35.45 H new ATOM 0 HG3 GLU A 81 10.059 7.490 9.561 1.00 35.45 H new ATOM 1226 N LYS A 82 8.968 5.083 10.787 1.00 1.25 N ATOM 1227 CA LYS A 82 7.977 5.264 11.843 1.00 74.32 C ATOM 1228 C LYS A 82 7.705 3.994 12.628 1.00 32.32 C ATOM 1229 O LYS A 82 7.362 4.086 13.809 1.00 24.11 O ATOM 1230 CB LYS A 82 6.660 5.786 11.259 1.00 22.14 C ATOM 1231 CG LYS A 82 6.644 7.294 11.055 1.00 73.51 C ATOM 1232 CD LYS A 82 5.959 8.060 12.191 1.00 31.53 C ATOM 1233 CE LYS A 82 6.701 7.987 13.522 1.00 41.52 C ATOM 1234 NZ LYS A 82 6.105 6.971 14.434 1.00 34.33 N ATOM 0 H LYS A 82 8.572 4.851 9.876 1.00 1.25 H new ATOM 0 HA LYS A 82 8.400 5.993 12.534 1.00 74.32 H new ATOM 0 HB2 LYS A 82 6.476 5.296 10.303 1.00 22.14 H new ATOM 0 HB3 LYS A 82 5.841 5.508 11.923 1.00 22.14 H new ATOM 0 HG2 LYS A 82 7.670 7.649 10.955 1.00 73.51 H new ATOM 0 HG3 LYS A 82 6.136 7.520 10.118 1.00 73.51 H new ATOM 0 HD2 LYS A 82 5.856 9.106 11.901 1.00 31.53 H new ATOM 0 HD3 LYS A 82 4.952 7.666 12.326 1.00 31.53 H new ATOM 0 HE2 LYS A 82 7.748 7.743 13.341 1.00 41.52 H new ATOM 0 HE3 LYS A 82 6.680 8.965 14.004 1.00 41.52 H new ATOM 0 HZ1 LYS A 82 6.535 7.056 15.377 1.00 34.33 H new ATOM 0 HZ2 LYS A 82 5.079 7.128 14.506 1.00 34.33 H new ATOM 0 HZ3 LYS A 82 6.284 6.018 14.057 1.00 34.33 H new ATOM 1248 N GLN A 83 7.819 2.827 11.949 1.00 71.10 N ATOM 1249 CA GLN A 83 7.512 1.489 12.520 1.00 71.12 C ATOM 1250 C GLN A 83 6.028 1.340 12.857 1.00 62.31 C ATOM 1251 O GLN A 83 5.632 0.404 13.554 1.00 14.15 O ATOM 1252 CB GLN A 83 8.364 1.174 13.768 1.00 44.42 C ATOM 1253 CG GLN A 83 9.829 0.906 13.481 1.00 70.23 C ATOM 1254 CD GLN A 83 10.034 -0.338 12.653 1.00 34.34 C ATOM 1255 OE1 GLN A 83 10.172 -1.436 13.182 1.00 40.24 O ATOM 1256 NE2 GLN A 83 10.044 -0.174 11.347 1.00 71.15 N ATOM 0 H GLN A 83 8.130 2.786 10.978 1.00 71.10 H new ATOM 0 HA GLN A 83 7.767 0.768 11.743 1.00 71.12 H new ATOM 0 HB2 GLN A 83 8.291 2.011 14.463 1.00 44.42 H new ATOM 0 HB3 GLN A 83 7.941 0.304 14.271 1.00 44.42 H new ATOM 0 HG2 GLN A 83 10.257 1.762 12.958 1.00 70.23 H new ATOM 0 HG3 GLN A 83 10.369 0.805 14.423 1.00 70.23 H new ATOM 0 HE21 GLN A 83 9.926 0.758 10.949 1.00 71.15 H new ATOM 0 HE22 GLN A 83 10.170 -0.979 10.733 1.00 71.15 H new ATOM 1265 N ASP A 84 5.207 2.234 12.313 1.00 22.15 N ATOM 1266 CA ASP A 84 3.833 2.350 12.736 1.00 4.14 C ATOM 1267 C ASP A 84 2.902 2.568 11.561 1.00 30.53 C ATOM 1268 O ASP A 84 2.915 3.631 10.936 1.00 75.14 O ATOM 1269 CB ASP A 84 3.679 3.491 13.730 1.00 21.12 C ATOM 1270 CG ASP A 84 3.392 3.001 15.119 1.00 0.21 C ATOM 1271 OD1 ASP A 84 2.284 2.488 15.350 1.00 54.52 O ATOM 1272 OD2 ASP A 84 4.272 3.127 15.985 1.00 5.43 O ATOM 0 H ASP A 84 5.479 2.886 11.577 1.00 22.15 H new ATOM 0 HA ASP A 84 3.559 1.410 13.216 1.00 4.14 H new ATOM 0 HB2 ASP A 84 4.591 4.088 13.739 1.00 21.12 H new ATOM 0 HB3 ASP A 84 2.872 4.147 13.404 1.00 21.12 H new ATOM 1277 N PRO A 85 2.073 1.551 11.246 1.00 34.34 N ATOM 1278 CA PRO A 85 1.071 1.622 10.163 1.00 4.00 C ATOM 1279 C PRO A 85 -0.169 2.455 10.528 1.00 51.22 C ATOM 1280 O PRO A 85 -0.976 2.794 9.668 1.00 33.42 O ATOM 1281 CB PRO A 85 0.669 0.159 10.000 1.00 52.03 C ATOM 1282 CG PRO A 85 0.835 -0.430 11.353 1.00 1.05 C ATOM 1283 CD PRO A 85 2.068 0.216 11.900 1.00 64.43 C ATOM 0 HA PRO A 85 1.475 2.102 9.272 1.00 4.00 H new ATOM 0 HB2 PRO A 85 -0.360 0.067 9.652 1.00 52.03 H new ATOM 0 HB3 PRO A 85 1.300 -0.346 9.268 1.00 52.03 H new ATOM 0 HG2 PRO A 85 -0.031 -0.226 11.982 1.00 1.05 H new ATOM 0 HG3 PRO A 85 0.945 -1.513 11.303 1.00 1.05 H new ATOM 0 HD2 PRO A 85 2.030 0.300 12.986 1.00 64.43 H new ATOM 0 HD3 PRO A 85 2.964 -0.355 11.656 1.00 64.43 H new ATOM 1291 N THR A 86 -0.306 2.759 11.815 1.00 12.14 N ATOM 1292 CA THR A 86 -1.477 3.438 12.344 1.00 74.01 C ATOM 1293 C THR A 86 -1.136 4.871 12.790 1.00 54.51 C ATOM 1294 O THR A 86 -2.031 5.682 13.043 1.00 25.20 O ATOM 1295 CB THR A 86 -2.098 2.598 13.508 1.00 2.01 C ATOM 1296 OG1 THR A 86 -3.273 3.221 14.039 1.00 21.32 O ATOM 1297 CG2 THR A 86 -1.101 2.350 14.633 1.00 74.43 C ATOM 0 H THR A 86 0.397 2.539 12.521 1.00 12.14 H new ATOM 0 HA THR A 86 -2.221 3.524 11.553 1.00 74.01 H new ATOM 0 HB THR A 86 -2.372 1.636 13.074 1.00 2.01 H new ATOM 0 HG1 THR A 86 -4.040 3.017 13.464 1.00 21.32 H new ATOM 0 HG21 THR A 86 -1.577 1.763 15.418 1.00 74.43 H new ATOM 0 HG22 THR A 86 -0.241 1.805 14.244 1.00 74.43 H new ATOM 0 HG23 THR A 86 -0.770 3.304 15.043 1.00 74.43 H new ATOM 1305 N ASP A 87 0.154 5.193 12.838 1.00 53.32 N ATOM 1306 CA ASP A 87 0.585 6.503 13.291 1.00 33.15 C ATOM 1307 C ASP A 87 0.853 7.412 12.096 1.00 73.24 C ATOM 1308 O ASP A 87 1.887 7.306 11.423 1.00 74.45 O ATOM 1309 CB ASP A 87 1.812 6.378 14.195 1.00 35.42 C ATOM 1310 CG ASP A 87 2.267 7.696 14.771 1.00 1.11 C ATOM 1311 OD1 ASP A 87 1.502 8.317 15.532 1.00 24.23 O ATOM 1312 OD2 ASP A 87 3.399 8.109 14.477 1.00 5.22 O ATOM 0 H ASP A 87 0.912 4.565 12.569 1.00 53.32 H new ATOM 0 HA ASP A 87 -0.211 6.957 13.881 1.00 33.15 H new ATOM 0 HB2 ASP A 87 1.585 5.692 15.011 1.00 35.42 H new ATOM 0 HB3 ASP A 87 2.630 5.936 13.626 1.00 35.42 H new ATOM 1317 N ILE A 88 -0.115 8.281 11.838 1.00 62.22 N ATOM 1318 CA ILE A 88 -0.068 9.209 10.717 1.00 25.23 C ATOM 1319 C ILE A 88 -1.095 10.336 10.943 1.00 23.13 C ATOM 1320 O ILE A 88 -2.152 10.116 11.545 1.00 24.32 O ATOM 1321 CB ILE A 88 -0.322 8.466 9.358 1.00 0.40 C ATOM 1322 CG1 ILE A 88 -0.158 9.400 8.149 1.00 41.23 C ATOM 1323 CG2 ILE A 88 -1.697 7.797 9.329 1.00 3.23 C ATOM 1324 CD1 ILE A 88 1.250 9.915 7.940 1.00 72.23 C ATOM 0 H ILE A 88 -0.960 8.362 12.404 1.00 62.22 H new ATOM 0 HA ILE A 88 0.928 9.648 10.658 1.00 25.23 H new ATOM 0 HB ILE A 88 0.439 7.689 9.286 1.00 0.40 H new ATOM 0 HG12 ILE A 88 -0.474 8.870 7.251 1.00 41.23 H new ATOM 0 HG13 ILE A 88 -0.828 10.251 8.270 1.00 41.23 H new ATOM 0 HG21 ILE A 88 -1.836 7.293 8.373 1.00 3.23 H new ATOM 0 HG22 ILE A 88 -1.764 7.068 10.137 1.00 3.23 H new ATOM 0 HG23 ILE A 88 -2.472 8.553 9.457 1.00 3.23 H new ATOM 0 HD11 ILE A 88 1.273 10.566 7.066 1.00 72.23 H new ATOM 0 HD12 ILE A 88 1.566 10.477 8.819 1.00 72.23 H new ATOM 0 HD13 ILE A 88 1.926 9.074 7.784 1.00 72.23 H new ATOM 1336 N LYS A 89 -0.761 11.541 10.501 1.00 4.33 N ATOM 1337 CA LYS A 89 -1.669 12.666 10.585 1.00 21.55 C ATOM 1338 C LYS A 89 -1.796 13.335 9.219 1.00 52.42 C ATOM 1339 O LYS A 89 -0.793 13.673 8.579 1.00 0.42 O ATOM 1340 CB LYS A 89 -1.181 13.667 11.639 1.00 63.03 C ATOM 1341 CG LYS A 89 -2.129 14.833 11.867 1.00 51.31 C ATOM 1342 CD LYS A 89 -1.586 15.785 12.914 1.00 74.13 C ATOM 1343 CE LYS A 89 -2.494 16.990 13.102 1.00 30.12 C ATOM 1344 NZ LYS A 89 -3.841 16.604 13.596 1.00 70.21 N ATOM 0 H LYS A 89 0.141 11.761 10.078 1.00 4.33 H new ATOM 0 HA LYS A 89 -2.653 12.307 10.888 1.00 21.55 H new ATOM 0 HB2 LYS A 89 -1.033 13.142 12.583 1.00 63.03 H new ATOM 0 HB3 LYS A 89 -0.209 14.056 11.334 1.00 63.03 H new ATOM 0 HG2 LYS A 89 -2.283 15.368 10.930 1.00 51.31 H new ATOM 0 HG3 LYS A 89 -3.102 14.457 12.183 1.00 51.31 H new ATOM 0 HD2 LYS A 89 -1.477 15.259 13.863 1.00 74.13 H new ATOM 0 HD3 LYS A 89 -0.592 16.121 12.620 1.00 74.13 H new ATOM 0 HE2 LYS A 89 -2.035 17.683 13.807 1.00 30.12 H new ATOM 0 HE3 LYS A 89 -2.594 17.519 12.154 1.00 30.12 H new ATOM 0 HZ1 LYS A 89 -4.374 17.459 13.854 1.00 70.21 H new ATOM 0 HZ2 LYS A 89 -4.351 16.091 12.849 1.00 70.21 H new ATOM 0 HZ3 LYS A 89 -3.742 15.992 14.431 1.00 70.21 H new ATOM 1358 N TYR A 90 -3.033 13.496 8.769 1.00 52.15 N ATOM 1359 CA TYR A 90 -3.310 14.174 7.514 1.00 72.42 C ATOM 1360 C TYR A 90 -3.931 15.532 7.775 1.00 22.44 C ATOM 1361 O TYR A 90 -4.570 15.753 8.803 1.00 75.33 O ATOM 1362 CB TYR A 90 -4.260 13.363 6.623 1.00 10.42 C ATOM 1363 CG TYR A 90 -3.875 11.912 6.448 1.00 45.01 C ATOM 1364 CD1 TYR A 90 -2.759 11.553 5.704 1.00 34.21 C ATOM 1365 CD2 TYR A 90 -4.627 10.904 7.028 1.00 23.45 C ATOM 1366 CE1 TYR A 90 -2.406 10.230 5.539 1.00 30.12 C ATOM 1367 CE2 TYR A 90 -4.279 9.579 6.873 1.00 3.44 C ATOM 1368 CZ TYR A 90 -3.168 9.249 6.128 1.00 43.30 C ATOM 1369 OH TYR A 90 -2.818 7.932 5.975 1.00 3.25 O ATOM 0 H TYR A 90 -3.864 13.164 9.259 1.00 52.15 H new ATOM 0 HA TYR A 90 -2.357 14.287 6.997 1.00 72.42 H new ATOM 0 HB2 TYR A 90 -5.263 13.410 7.047 1.00 10.42 H new ATOM 0 HB3 TYR A 90 -4.306 13.834 5.641 1.00 10.42 H new ATOM 0 HD1 TYR A 90 -2.157 12.324 5.246 1.00 34.21 H new ATOM 0 HD2 TYR A 90 -5.500 11.160 7.611 1.00 23.45 H new ATOM 0 HE1 TYR A 90 -1.538 9.967 4.952 1.00 30.12 H new ATOM 0 HE2 TYR A 90 -4.874 8.804 7.333 1.00 3.44 H new ATOM 0 HH TYR A 90 -1.842 7.857 5.920 1.00 3.25 H new ATOM 1379 N LYS A 91 -3.730 16.433 6.833 1.00 0.22 N ATOM 1380 CA LYS A 91 -4.369 17.736 6.838 1.00 1.20 C ATOM 1381 C LYS A 91 -5.004 17.971 5.468 1.00 42.12 C ATOM 1382 O LYS A 91 -4.420 18.615 4.595 1.00 64.33 O ATOM 1383 CB LYS A 91 -3.361 18.862 7.224 1.00 51.23 C ATOM 1384 CG LYS A 91 -1.856 18.549 7.019 1.00 3.00 C ATOM 1385 CD LYS A 91 -1.408 18.556 5.554 1.00 43.11 C ATOM 1386 CE LYS A 91 -1.401 19.960 4.946 1.00 20.01 C ATOM 1387 NZ LYS A 91 -0.375 20.839 5.568 1.00 44.10 N ATOM 0 H LYS A 91 -3.113 16.280 6.035 1.00 0.22 H new ATOM 0 HA LYS A 91 -5.150 17.762 7.598 1.00 1.20 H new ATOM 0 HB2 LYS A 91 -3.606 19.752 6.644 1.00 51.23 H new ATOM 0 HB3 LYS A 91 -3.517 19.113 8.273 1.00 51.23 H new ATOM 0 HG2 LYS A 91 -1.266 19.280 7.571 1.00 3.00 H new ATOM 0 HG3 LYS A 91 -1.637 17.572 7.450 1.00 3.00 H new ATOM 0 HD2 LYS A 91 -0.408 18.128 5.482 1.00 43.11 H new ATOM 0 HD3 LYS A 91 -2.071 17.916 4.972 1.00 43.11 H new ATOM 0 HE2 LYS A 91 -1.214 19.889 3.875 1.00 20.01 H new ATOM 0 HE3 LYS A 91 -2.386 20.411 5.068 1.00 20.01 H new ATOM 0 HZ1 LYS A 91 -0.362 21.757 5.079 1.00 44.10 H new ATOM 0 HZ2 LYS A 91 -0.605 20.985 6.572 1.00 44.10 H new ATOM 0 HZ3 LYS A 91 0.560 20.391 5.489 1.00 44.10 H new ATOM 1401 N ASP A 92 -6.206 17.420 5.270 1.00 42.32 N ATOM 1402 CA ASP A 92 -6.804 17.325 3.943 1.00 71.44 C ATOM 1403 C ASP A 92 -8.287 16.965 4.074 1.00 54.21 C ATOM 1404 O ASP A 92 -8.801 16.851 5.188 1.00 43.52 O ATOM 1405 CB ASP A 92 -6.050 16.264 3.142 1.00 44.40 C ATOM 1406 CG ASP A 92 -6.273 16.339 1.644 1.00 2.31 C ATOM 1407 OD1 ASP A 92 -6.075 17.417 1.058 1.00 13.31 O ATOM 1408 OD2 ASP A 92 -6.642 15.310 1.055 1.00 22.31 O ATOM 0 H ASP A 92 -6.782 17.033 6.017 1.00 42.32 H new ATOM 0 HA ASP A 92 -6.732 18.280 3.422 1.00 71.44 H new ATOM 0 HB2 ASP A 92 -4.983 16.362 3.344 1.00 44.40 H new ATOM 0 HB3 ASP A 92 -6.352 15.277 3.494 1.00 44.40 H new ATOM 1413 N ASN A 93 -8.962 16.781 2.943 1.00 35.33 N ATOM 1414 CA ASN A 93 -10.310 16.238 2.916 1.00 52.51 C ATOM 1415 C ASN A 93 -10.264 14.700 2.796 1.00 44.02 C ATOM 1416 O ASN A 93 -11.227 14.016 3.153 1.00 23.10 O ATOM 1417 CB ASN A 93 -11.091 16.863 1.747 1.00 50.34 C ATOM 1418 CG ASN A 93 -12.568 16.503 1.739 1.00 71.20 C ATOM 1419 OD1 ASN A 93 -13.368 17.108 2.453 1.00 62.32 O ATOM 1420 ND2 ASN A 93 -12.947 15.551 0.902 1.00 51.02 N ATOM 0 H ASN A 93 -8.587 17.005 2.021 1.00 35.33 H new ATOM 0 HA ASN A 93 -10.821 16.484 3.847 1.00 52.51 H new ATOM 0 HB2 ASN A 93 -10.990 17.947 1.793 1.00 50.34 H new ATOM 0 HB3 ASN A 93 -10.642 16.540 0.808 1.00 50.34 H new ATOM 0 HD21 ASN A 93 -13.932 15.296 0.832 1.00 51.02 H new ATOM 0 HD22 ASN A 93 -12.254 15.072 0.327 1.00 51.02 H new ATOM 1427 N ASP A 94 -9.132 14.154 2.338 1.00 5.23 N ATOM 1428 CA ASP A 94 -9.024 12.720 2.123 1.00 33.23 C ATOM 1429 C ASP A 94 -7.824 12.140 2.867 1.00 30.32 C ATOM 1430 O ASP A 94 -7.988 11.260 3.704 1.00 52.23 O ATOM 1431 CB ASP A 94 -8.908 12.387 0.636 1.00 42.01 C ATOM 1432 CG ASP A 94 -9.329 10.965 0.342 1.00 4.10 C ATOM 1433 OD1 ASP A 94 -10.538 10.679 0.405 1.00 4.42 O ATOM 1434 OD2 ASP A 94 -8.458 10.130 0.037 1.00 62.05 O ATOM 0 H ASP A 94 -8.289 14.683 2.113 1.00 5.23 H new ATOM 0 HA ASP A 94 -9.937 12.270 2.514 1.00 33.23 H new ATOM 0 HB2 ASP A 94 -9.527 13.075 0.061 1.00 42.01 H new ATOM 0 HB3 ASP A 94 -7.879 12.536 0.310 1.00 42.01 H new ATOM 1439 N GLY A 95 -6.623 12.665 2.601 1.00 65.54 N ATOM 1440 CA GLY A 95 -5.431 12.029 3.130 1.00 73.45 C ATOM 1441 C GLY A 95 -4.107 12.599 2.635 1.00 51.10 C ATOM 1442 O GLY A 95 -3.173 11.846 2.413 1.00 22.02 O ATOM 0 H GLY A 95 -6.461 13.502 2.040 1.00 65.54 H new ATOM 0 HA2 GLY A 95 -5.454 12.102 4.217 1.00 73.45 H new ATOM 0 HA3 GLY A 95 -5.466 10.968 2.881 1.00 73.45 H new ATOM 1446 N HIS A 96 -3.999 13.907 2.486 1.00 30.23 N ATOM 1447 CA HIS A 96 -2.701 14.534 2.222 1.00 0.25 C ATOM 1448 C HIS A 96 -1.981 14.754 3.533 1.00 53.14 C ATOM 1449 O HIS A 96 -2.533 15.343 4.455 1.00 43.45 O ATOM 1450 CB HIS A 96 -2.820 15.880 1.500 1.00 4.33 C ATOM 1451 CG HIS A 96 -2.872 15.803 0.009 1.00 54.23 C ATOM 1452 ND1 HIS A 96 -3.841 16.432 -0.735 1.00 2.44 N ATOM 1453 CD2 HIS A 96 -2.037 15.224 -0.879 1.00 52.33 C ATOM 1454 CE1 HIS A 96 -3.603 16.243 -2.014 1.00 12.44 C ATOM 1455 NE2 HIS A 96 -2.516 15.516 -2.128 1.00 21.11 N ATOM 0 H HIS A 96 -4.783 14.557 2.541 1.00 30.23 H new ATOM 0 HA HIS A 96 -2.149 13.858 1.569 1.00 0.25 H new ATOM 0 HB2 HIS A 96 -3.720 16.384 1.853 1.00 4.33 H new ATOM 0 HB3 HIS A 96 -1.972 16.503 1.786 1.00 4.33 H new ATOM 0 HD1 HIS A 96 -4.624 16.963 -0.354 1.00 2.44 H new ATOM 0 HD2 HIS A 96 -1.158 14.641 -0.648 1.00 52.33 H new ATOM 0 HE1 HIS A 96 -4.200 16.621 -2.831 1.00 12.44 H new ATOM 0 HE2 HIS A 96 -2.095 15.216 -3.007 1.00 21.11 H new ATOM 1464 N THR A 97 -0.756 14.297 3.601 1.00 32.41 N ATOM 1465 CA THR A 97 0.017 14.393 4.822 1.00 34.12 C ATOM 1466 C THR A 97 1.207 15.314 4.608 1.00 53.22 C ATOM 1467 O THR A 97 1.846 15.290 3.555 1.00 40.32 O ATOM 1468 CB THR A 97 0.457 12.999 5.345 1.00 44.20 C ATOM 1469 OG1 THR A 97 1.341 13.130 6.467 1.00 71.45 O ATOM 1470 CG2 THR A 97 1.116 12.165 4.262 1.00 14.15 C ATOM 0 H THR A 97 -0.267 13.852 2.824 1.00 32.41 H new ATOM 0 HA THR A 97 -0.620 14.821 5.596 1.00 34.12 H new ATOM 0 HB THR A 97 -0.448 12.480 5.662 1.00 44.20 H new ATOM 0 HG1 THR A 97 0.820 13.332 7.272 1.00 71.45 H new ATOM 0 HG21 THR A 97 1.407 11.199 4.674 1.00 14.15 H new ATOM 0 HG22 THR A 97 0.414 12.014 3.442 1.00 14.15 H new ATOM 0 HG23 THR A 97 2.001 12.683 3.892 1.00 14.15 H new ATOM 1478 N ASP A 98 1.492 16.130 5.616 1.00 25.41 N ATOM 1479 CA ASP A 98 2.571 17.112 5.541 1.00 20.33 C ATOM 1480 C ASP A 98 3.896 16.460 5.951 1.00 65.15 C ATOM 1481 O ASP A 98 4.978 16.948 5.624 1.00 53.54 O ATOM 1482 CB ASP A 98 2.244 18.292 6.465 1.00 43.13 C ATOM 1483 CG ASP A 98 3.043 19.543 6.160 1.00 64.22 C ATOM 1484 OD1 ASP A 98 4.141 19.708 6.721 1.00 75.44 O ATOM 1485 OD2 ASP A 98 2.567 20.370 5.360 1.00 25.52 O ATOM 0 H ASP A 98 0.987 16.132 6.502 1.00 25.41 H new ATOM 0 HA ASP A 98 2.668 17.477 4.518 1.00 20.33 H new ATOM 0 HB2 ASP A 98 1.181 18.521 6.385 1.00 43.13 H new ATOM 0 HB3 ASP A 98 2.429 17.996 7.498 1.00 43.13 H new ATOM 1490 N ALA A 99 3.784 15.317 6.628 1.00 50.21 N ATOM 1491 CA ALA A 99 4.930 14.599 7.166 1.00 23.14 C ATOM 1492 C ALA A 99 5.634 13.748 6.106 1.00 51.23 C ATOM 1493 O ALA A 99 6.755 13.286 6.325 1.00 30.24 O ATOM 1494 CB ALA A 99 4.485 13.743 8.336 1.00 64.51 C ATOM 0 H ALA A 99 2.890 14.864 6.817 1.00 50.21 H new ATOM 0 HA ALA A 99 5.658 15.335 7.507 1.00 23.14 H new ATOM 0 HB1 ALA A 99 5.342 13.205 8.740 1.00 64.51 H new ATOM 0 HB2 ALA A 99 4.058 14.380 9.111 1.00 64.51 H new ATOM 0 HB3 ALA A 99 3.734 13.029 7.999 1.00 64.51 H new ATOM 1500 N ILE A 100 4.988 13.536 4.960 1.00 4.32 N ATOM 1501 CA ILE A 100 5.626 12.842 3.853 1.00 5.12 C ATOM 1502 C ILE A 100 5.882 13.830 2.716 1.00 5.21 C ATOM 1503 O ILE A 100 4.959 14.238 2.000 1.00 20.44 O ATOM 1504 CB ILE A 100 4.802 11.623 3.346 1.00 51.32 C ATOM 1505 CG1 ILE A 100 4.520 10.657 4.506 1.00 55.41 C ATOM 1506 CG2 ILE A 100 5.555 10.905 2.223 1.00 43.11 C ATOM 1507 CD1 ILE A 100 3.678 9.451 4.139 1.00 53.35 C ATOM 0 H ILE A 100 4.030 13.834 4.779 1.00 4.32 H new ATOM 0 HA ILE A 100 6.571 12.440 4.217 1.00 5.12 H new ATOM 0 HB ILE A 100 3.851 11.980 2.951 1.00 51.32 H new ATOM 0 HG12 ILE A 100 5.471 10.309 4.910 1.00 55.41 H new ATOM 0 HG13 ILE A 100 4.017 11.205 5.302 1.00 55.41 H new ATOM 0 HG21 ILE A 100 4.968 10.054 1.877 1.00 43.11 H new ATOM 0 HG22 ILE A 100 5.717 11.595 1.395 1.00 43.11 H new ATOM 0 HG23 ILE A 100 6.517 10.554 2.596 1.00 43.11 H new ATOM 0 HD11 ILE A 100 3.532 8.827 5.021 1.00 53.35 H new ATOM 0 HD12 ILE A 100 2.710 9.784 3.765 1.00 53.35 H new ATOM 0 HD13 ILE A 100 4.186 8.874 3.367 1.00 53.35 H new ATOM 1519 N SER A 101 7.140 14.234 2.599 1.00 63.12 N ATOM 1520 CA SER A 101 7.588 15.156 1.564 1.00 42.25 C ATOM 1521 C SER A 101 7.661 14.449 0.207 1.00 73.25 C ATOM 1522 O SER A 101 8.502 13.572 0.000 1.00 13.22 O ATOM 1523 CB SER A 101 8.961 15.725 1.949 1.00 34.33 C ATOM 1524 OG SER A 101 9.426 16.675 1.002 1.00 52.34 O ATOM 0 H SER A 101 7.885 13.928 3.225 1.00 63.12 H new ATOM 0 HA SER A 101 6.872 15.973 1.479 1.00 42.25 H new ATOM 0 HB2 SER A 101 8.897 16.193 2.931 1.00 34.33 H new ATOM 0 HB3 SER A 101 9.681 14.911 2.030 1.00 34.33 H new ATOM 0 HG SER A 101 10.301 17.015 1.283 1.00 52.34 H new ATOM 1530 N GLY A 102 6.764 14.836 -0.699 1.00 31.30 N ATOM 1531 CA GLY A 102 6.724 14.231 -2.020 1.00 2.20 C ATOM 1532 C GLY A 102 5.447 13.458 -2.290 1.00 51.43 C ATOM 1533 O GLY A 102 5.255 12.939 -3.391 1.00 45.31 O ATOM 0 H GLY A 102 6.063 15.560 -0.540 1.00 31.30 H new ATOM 0 HA2 GLY A 102 6.833 15.012 -2.773 1.00 2.20 H new ATOM 0 HA3 GLY A 102 7.576 13.560 -2.130 1.00 2.20 H new ATOM 1537 N ALA A 103 4.578 13.360 -1.283 1.00 51.01 N ATOM 1538 CA ALA A 103 3.299 12.680 -1.436 1.00 32.42 C ATOM 1539 C ALA A 103 2.241 13.622 -2.006 1.00 32.43 C ATOM 1540 O ALA A 103 1.657 14.441 -1.284 1.00 73.25 O ATOM 1541 CB ALA A 103 2.853 12.104 -0.104 1.00 43.34 C ATOM 0 H ALA A 103 4.741 13.745 -0.353 1.00 51.01 H new ATOM 0 HA ALA A 103 3.425 11.861 -2.144 1.00 32.42 H new ATOM 0 HB1 ALA A 103 1.896 11.598 -0.229 1.00 43.34 H new ATOM 0 HB2 ALA A 103 3.597 11.391 0.252 1.00 43.34 H new ATOM 0 HB3 ALA A 103 2.745 12.909 0.623 1.00 43.34 H new ATOM 1547 N THR A 104 2.029 13.524 -3.316 1.00 62.42 N ATOM 1548 CA THR A 104 1.064 14.370 -4.010 1.00 40.10 C ATOM 1549 C THR A 104 -0.291 13.681 -4.173 1.00 63.13 C ATOM 1550 O THR A 104 -1.287 14.329 -4.482 1.00 63.04 O ATOM 1551 CB THR A 104 1.594 14.811 -5.389 1.00 24.22 C ATOM 1552 OG1 THR A 104 1.953 13.669 -6.174 1.00 50.44 O ATOM 1553 CG2 THR A 104 2.801 15.723 -5.242 1.00 31.15 C ATOM 0 H THR A 104 2.516 12.863 -3.921 1.00 62.42 H new ATOM 0 HA THR A 104 0.923 15.253 -3.387 1.00 40.10 H new ATOM 0 HB THR A 104 0.798 15.360 -5.892 1.00 24.22 H new ATOM 0 HG1 THR A 104 2.286 13.964 -7.047 1.00 50.44 H new ATOM 0 HG21 THR A 104 3.155 16.020 -6.229 1.00 31.15 H new ATOM 0 HG22 THR A 104 2.519 16.611 -4.676 1.00 31.15 H new ATOM 0 HG23 THR A 104 3.595 15.194 -4.716 1.00 31.15 H new ATOM 1561 N ILE A 105 -0.318 12.366 -3.983 1.00 42.12 N ATOM 1562 CA ILE A 105 -1.562 11.609 -3.946 1.00 45.10 C ATOM 1563 C ILE A 105 -1.959 11.392 -2.471 1.00 13.03 C ATOM 1564 O ILE A 105 -1.105 11.505 -1.581 1.00 71.23 O ATOM 1565 CB ILE A 105 -1.397 10.270 -4.749 1.00 25.32 C ATOM 1566 CG1 ILE A 105 -2.766 9.591 -5.055 1.00 5.12 C ATOM 1567 CG2 ILE A 105 -0.408 9.320 -4.062 1.00 44.50 C ATOM 1568 CD1 ILE A 105 -3.183 8.434 -4.154 1.00 72.52 C ATOM 0 H ILE A 105 0.519 11.798 -3.851 1.00 42.12 H new ATOM 0 HA ILE A 105 -2.372 12.156 -4.430 1.00 45.10 H new ATOM 0 HB ILE A 105 -0.967 10.527 -5.717 1.00 25.32 H new ATOM 0 HG12 ILE A 105 -3.542 10.355 -5.005 1.00 5.12 H new ATOM 0 HG13 ILE A 105 -2.742 9.228 -6.083 1.00 5.12 H new ATOM 0 HG21 ILE A 105 -0.319 8.404 -4.645 1.00 44.50 H new ATOM 0 HG22 ILE A 105 0.568 9.801 -3.990 1.00 44.50 H new ATOM 0 HG23 ILE A 105 -0.769 9.080 -3.062 1.00 44.50 H new ATOM 0 HD11 ILE A 105 -4.152 8.053 -4.476 1.00 72.52 H new ATOM 0 HD12 ILE A 105 -2.441 7.638 -4.218 1.00 72.52 H new ATOM 0 HD13 ILE A 105 -3.254 8.782 -3.124 1.00 72.52 H new ATOM 1580 N LYS A 106 -3.253 11.170 -2.207 1.00 54.50 N ATOM 1581 CA LYS A 106 -3.729 10.891 -0.860 1.00 11.05 C ATOM 1582 C LYS A 106 -3.233 9.539 -0.328 1.00 14.21 C ATOM 1583 O LYS A 106 -3.482 8.476 -0.892 1.00 62.42 O ATOM 1584 CB LYS A 106 -5.249 10.981 -0.782 1.00 21.10 C ATOM 1585 CG LYS A 106 -5.782 12.407 -0.786 1.00 62.01 C ATOM 1586 CD LYS A 106 -6.004 12.971 -2.176 1.00 20.24 C ATOM 1587 CE LYS A 106 -6.699 14.315 -2.104 1.00 15.30 C ATOM 1588 NZ LYS A 106 -6.924 14.890 -3.449 1.00 1.23 N ATOM 0 H LYS A 106 -3.986 11.180 -2.916 1.00 54.50 H new ATOM 0 HA LYS A 106 -3.305 11.661 -0.215 1.00 11.05 H new ATOM 0 HB2 LYS A 106 -5.679 10.440 -1.625 1.00 21.10 H new ATOM 0 HB3 LYS A 106 -5.587 10.479 0.125 1.00 21.10 H new ATOM 0 HG2 LYS A 106 -6.724 12.435 -0.238 1.00 62.01 H new ATOM 0 HG3 LYS A 106 -5.082 13.049 -0.251 1.00 62.01 H new ATOM 0 HD2 LYS A 106 -5.047 13.078 -2.688 1.00 20.24 H new ATOM 0 HD3 LYS A 106 -6.604 12.277 -2.764 1.00 20.24 H new ATOM 0 HE2 LYS A 106 -7.655 14.203 -1.592 1.00 15.30 H new ATOM 0 HE3 LYS A 106 -6.098 15.004 -1.510 1.00 15.30 H new ATOM 0 HZ1 LYS A 106 -7.402 15.809 -3.358 1.00 1.23 H new ATOM 0 HZ2 LYS A 106 -6.010 15.020 -3.928 1.00 1.23 H new ATOM 0 HZ3 LYS A 106 -7.519 14.245 -4.007 1.00 1.23 H new ATOM 1602 N VAL A 107 -2.574 9.637 0.813 1.00 32.23 N ATOM 1603 CA VAL A 107 -1.813 8.564 1.437 1.00 45.50 C ATOM 1604 C VAL A 107 -2.697 7.720 2.387 1.00 53.03 C ATOM 1605 O VAL A 107 -2.252 6.694 2.908 1.00 52.42 O ATOM 1606 CB VAL A 107 -0.602 9.226 2.183 1.00 62.43 C ATOM 1607 CG1 VAL A 107 0.248 8.262 2.978 1.00 50.41 C ATOM 1608 CG2 VAL A 107 0.294 9.920 1.186 1.00 71.43 C ATOM 0 H VAL A 107 -2.552 10.501 1.354 1.00 32.23 H new ATOM 0 HA VAL A 107 -1.447 7.865 0.685 1.00 45.50 H new ATOM 0 HB VAL A 107 -1.048 9.923 2.892 1.00 62.43 H new ATOM 0 HG11 VAL A 107 1.061 8.806 3.460 1.00 50.41 H new ATOM 0 HG12 VAL A 107 -0.365 7.778 3.738 1.00 50.41 H new ATOM 0 HG13 VAL A 107 0.662 7.507 2.310 1.00 50.41 H new ATOM 0 HG21 VAL A 107 1.134 10.378 1.709 1.00 71.43 H new ATOM 0 HG22 VAL A 107 0.668 9.193 0.465 1.00 71.43 H new ATOM 0 HG23 VAL A 107 -0.272 10.691 0.663 1.00 71.43 H new ATOM 1618 N LYS A 108 -3.973 8.124 2.556 1.00 13.41 N ATOM 1619 CA LYS A 108 -4.869 7.505 3.546 1.00 31.13 C ATOM 1620 C LYS A 108 -5.019 5.997 3.338 1.00 64.53 C ATOM 1621 O LYS A 108 -4.870 5.254 4.290 1.00 43.43 O ATOM 1622 CB LYS A 108 -6.252 8.158 3.567 1.00 65.42 C ATOM 1623 CG LYS A 108 -6.992 7.861 4.864 1.00 74.53 C ATOM 1624 CD LYS A 108 -8.441 8.281 4.814 1.00 55.40 C ATOM 1625 CE LYS A 108 -9.115 8.064 6.160 1.00 54.10 C ATOM 1626 NZ LYS A 108 -9.206 6.622 6.530 1.00 21.30 N ATOM 0 H LYS A 108 -4.403 8.876 2.018 1.00 13.41 H new ATOM 0 HA LYS A 108 -4.391 7.673 4.511 1.00 31.13 H new ATOM 0 HB2 LYS A 108 -6.148 9.236 3.445 1.00 65.42 H new ATOM 0 HB3 LYS A 108 -6.838 7.797 2.722 1.00 65.42 H new ATOM 0 HG2 LYS A 108 -6.934 6.793 5.075 1.00 74.53 H new ATOM 0 HG3 LYS A 108 -6.496 8.376 5.687 1.00 74.53 H new ATOM 0 HD2 LYS A 108 -8.510 9.332 4.533 1.00 55.40 H new ATOM 0 HD3 LYS A 108 -8.963 7.711 4.045 1.00 55.40 H new ATOM 0 HE2 LYS A 108 -8.560 8.599 6.931 1.00 54.10 H new ATOM 0 HE3 LYS A 108 -10.117 8.493 6.134 1.00 54.10 H new ATOM 0 HZ1 LYS A 108 -10.201 6.369 6.699 1.00 21.30 H new ATOM 0 HZ2 LYS A 108 -8.828 6.040 5.755 1.00 21.30 H new ATOM 0 HZ3 LYS A 108 -8.653 6.450 7.394 1.00 21.30 H new ATOM 1640 N LYS A 109 -5.225 5.565 2.082 1.00 4.24 N ATOM 1641 CA LYS A 109 -5.408 4.140 1.752 1.00 22.52 C ATOM 1642 C LYS A 109 -4.145 3.299 2.031 1.00 74.24 C ATOM 1643 O LYS A 109 -4.254 2.115 2.340 1.00 11.24 O ATOM 1644 CB LYS A 109 -5.840 3.998 0.282 1.00 1.43 C ATOM 1645 CG LYS A 109 -6.076 2.554 -0.168 1.00 55.10 C ATOM 1646 CD LYS A 109 -6.628 2.474 -1.577 1.00 0.22 C ATOM 1647 CE LYS A 109 -5.603 2.954 -2.595 1.00 54.51 C ATOM 1648 NZ LYS A 109 -6.132 2.973 -3.976 1.00 73.32 N ATOM 0 H LYS A 109 -5.269 6.186 1.274 1.00 4.24 H new ATOM 0 HA LYS A 109 -6.191 3.751 2.403 1.00 22.52 H new ATOM 0 HB2 LYS A 109 -6.756 4.569 0.128 1.00 1.43 H new ATOM 0 HB3 LYS A 109 -5.075 4.444 -0.354 1.00 1.43 H new ATOM 0 HG2 LYS A 109 -5.138 2.002 -0.116 1.00 55.10 H new ATOM 0 HG3 LYS A 109 -6.770 2.070 0.520 1.00 55.10 H new ATOM 0 HD2 LYS A 109 -6.914 1.446 -1.801 1.00 0.22 H new ATOM 0 HD3 LYS A 109 -7.531 3.080 -1.652 1.00 0.22 H new ATOM 0 HE2 LYS A 109 -5.271 3.956 -2.324 1.00 54.51 H new ATOM 0 HE3 LYS A 109 -4.727 2.306 -2.555 1.00 54.51 H new ATOM 0 HZ1 LYS A 109 -5.660 3.725 -4.518 1.00 73.32 H new ATOM 0 HZ2 LYS A 109 -5.952 2.054 -4.429 1.00 73.32 H new ATOM 0 HZ3 LYS A 109 -7.156 3.153 -3.953 1.00 73.32 H new ATOM 1662 N PHE A 110 -2.957 3.910 1.937 1.00 60.14 N ATOM 1663 CA PHE A 110 -1.704 3.218 2.250 1.00 33.30 C ATOM 1664 C PHE A 110 -1.666 2.827 3.727 1.00 44.45 C ATOM 1665 O PHE A 110 -1.397 1.679 4.045 1.00 31.25 O ATOM 1666 CB PHE A 110 -0.476 4.084 1.886 1.00 24.52 C ATOM 1667 CG PHE A 110 0.846 3.499 2.327 1.00 4.12 C ATOM 1668 CD1 PHE A 110 1.458 2.487 1.606 1.00 33.15 C ATOM 1669 CD2 PHE A 110 1.457 3.952 3.484 1.00 73.12 C ATOM 1670 CE1 PHE A 110 2.652 1.939 2.040 1.00 21.13 C ATOM 1671 CE2 PHE A 110 2.647 3.417 3.917 1.00 31.41 C ATOM 1672 CZ PHE A 110 3.245 2.406 3.199 1.00 41.24 C ATOM 0 H PHE A 110 -2.839 4.881 1.647 1.00 60.14 H new ATOM 0 HA PHE A 110 -1.662 2.312 1.646 1.00 33.30 H new ATOM 0 HB2 PHE A 110 -0.455 4.229 0.806 1.00 24.52 H new ATOM 0 HB3 PHE A 110 -0.593 5.069 2.337 1.00 24.52 H new ATOM 0 HD1 PHE A 110 1.000 2.123 0.698 1.00 33.15 H new ATOM 0 HD2 PHE A 110 0.990 4.740 4.057 1.00 73.12 H new ATOM 0 HE1 PHE A 110 3.121 1.147 1.474 1.00 21.13 H new ATOM 0 HE2 PHE A 110 3.112 3.789 4.818 1.00 31.41 H new ATOM 0 HZ PHE A 110 4.176 1.978 3.540 1.00 41.24 H new ATOM 1682 N PHE A 111 -1.950 3.783 4.613 1.00 50.44 N ATOM 1683 CA PHE A 111 -1.907 3.527 6.051 1.00 64.15 C ATOM 1684 C PHE A 111 -3.130 2.749 6.530 1.00 21.42 C ATOM 1685 O PHE A 111 -3.029 2.004 7.493 1.00 65.22 O ATOM 1686 CB PHE A 111 -1.744 4.825 6.843 1.00 11.33 C ATOM 1687 CG PHE A 111 -0.324 5.337 6.887 1.00 34.33 C ATOM 1688 CD1 PHE A 111 0.157 6.193 5.914 1.00 41.33 C ATOM 1689 CD2 PHE A 111 0.528 4.967 7.915 1.00 71.50 C ATOM 1690 CE1 PHE A 111 1.457 6.662 5.961 1.00 11.30 C ATOM 1691 CE2 PHE A 111 1.826 5.436 7.969 1.00 62.44 C ATOM 1692 CZ PHE A 111 2.292 6.283 6.990 1.00 41.12 C ATOM 0 H PHE A 111 -2.211 4.736 4.361 1.00 50.44 H new ATOM 0 HA PHE A 111 -1.031 2.905 6.235 1.00 64.15 H new ATOM 0 HB2 PHE A 111 -2.383 5.591 6.403 1.00 11.33 H new ATOM 0 HB3 PHE A 111 -2.094 4.664 7.863 1.00 11.33 H new ATOM 0 HD1 PHE A 111 -0.491 6.500 5.106 1.00 41.33 H new ATOM 0 HD2 PHE A 111 0.171 4.301 8.687 1.00 71.50 H new ATOM 0 HE1 PHE A 111 1.819 7.326 5.190 1.00 11.30 H new ATOM 0 HE2 PHE A 111 2.475 5.138 8.779 1.00 62.44 H new ATOM 0 HZ PHE A 111 3.307 6.649 7.028 1.00 41.12 H new ATOM 1702 N ASP A 112 -4.269 2.910 5.839 1.00 74.23 N ATOM 1703 CA ASP A 112 -5.489 2.131 6.112 1.00 31.23 C ATOM 1704 C ASP A 112 -5.238 0.648 5.905 1.00 32.43 C ATOM 1705 O ASP A 112 -5.543 -0.166 6.775 1.00 70.45 O ATOM 1706 CB ASP A 112 -6.651 2.561 5.198 1.00 51.32 C ATOM 1707 CG ASP A 112 -7.313 3.862 5.594 1.00 61.04 C ATOM 1708 OD1 ASP A 112 -7.272 4.232 6.785 1.00 0.22 O ATOM 1709 OD2 ASP A 112 -7.872 4.531 4.703 1.00 42.02 O ATOM 0 H ASP A 112 -4.371 3.581 5.078 1.00 74.23 H new ATOM 0 HA ASP A 112 -5.760 2.322 7.150 1.00 31.23 H new ATOM 0 HB2 ASP A 112 -6.279 2.653 4.178 1.00 51.32 H new ATOM 0 HB3 ASP A 112 -7.403 1.772 5.193 1.00 51.32 H new ATOM 1714 N LEU A 113 -4.637 0.319 4.763 1.00 63.44 N ATOM 1715 CA LEU A 113 -4.350 -1.061 4.400 1.00 25.25 C ATOM 1716 C LEU A 113 -3.100 -1.602 5.100 1.00 71.50 C ATOM 1717 O LEU A 113 -2.946 -2.806 5.221 1.00 72.33 O ATOM 1718 CB LEU A 113 -4.228 -1.207 2.874 1.00 31.24 C ATOM 1719 CG LEU A 113 -5.521 -1.562 2.117 1.00 73.25 C ATOM 1720 CD1 LEU A 113 -6.174 -2.779 2.737 1.00 3.20 C ATOM 1721 CD2 LEU A 113 -6.506 -0.401 2.083 1.00 45.41 C ATOM 0 H LEU A 113 -4.337 1.002 4.067 1.00 63.44 H new ATOM 0 HA LEU A 113 -5.191 -1.663 4.744 1.00 25.25 H new ATOM 0 HB2 LEU A 113 -3.841 -0.271 2.471 1.00 31.24 H new ATOM 0 HB3 LEU A 113 -3.485 -1.976 2.662 1.00 31.24 H new ATOM 0 HG LEU A 113 -5.242 -1.784 1.087 1.00 73.25 H new ATOM 0 HD11 LEU A 113 -7.087 -3.019 2.192 1.00 3.20 H new ATOM 0 HD12 LEU A 113 -5.488 -3.625 2.687 1.00 3.20 H new ATOM 0 HD13 LEU A 113 -6.417 -2.570 3.779 1.00 3.20 H new ATOM 0 HD21 LEU A 113 -7.402 -0.700 1.539 1.00 45.41 H new ATOM 0 HD22 LEU A 113 -6.776 -0.123 3.102 1.00 45.41 H new ATOM 0 HD23 LEU A 113 -6.046 0.452 1.584 1.00 45.41 H new ATOM 1733 N ALA A 114 -2.212 -0.717 5.551 1.00 54.54 N ATOM 1734 CA ALA A 114 -1.071 -1.124 6.377 1.00 64.44 C ATOM 1735 C ALA A 114 -1.523 -1.582 7.768 1.00 44.42 C ATOM 1736 O ALA A 114 -0.941 -2.505 8.337 1.00 11.44 O ATOM 1737 CB ALA A 114 -0.064 0.005 6.492 1.00 12.32 C ATOM 0 H ALA A 114 -2.258 0.284 5.360 1.00 54.54 H new ATOM 0 HA ALA A 114 -0.592 -1.970 5.885 1.00 64.44 H new ATOM 0 HB1 ALA A 114 0.775 -0.317 7.109 1.00 12.32 H new ATOM 0 HB2 ALA A 114 0.297 0.273 5.499 1.00 12.32 H new ATOM 0 HB3 ALA A 114 -0.540 0.872 6.951 1.00 12.32 H new ATOM 1743 N GLN A 115 -2.577 -0.937 8.297 1.00 51.33 N ATOM 1744 CA GLN A 115 -3.204 -1.341 9.566 1.00 62.43 C ATOM 1745 C GLN A 115 -3.882 -2.700 9.430 1.00 42.25 C ATOM 1746 O GLN A 115 -3.834 -3.519 10.342 1.00 52.34 O ATOM 1747 CB GLN A 115 -4.245 -0.305 10.002 1.00 62.44 C ATOM 1748 CG GLN A 115 -3.646 0.987 10.518 1.00 62.14 C ATOM 1749 CD GLN A 115 -4.671 2.088 10.691 1.00 4.13 C ATOM 1750 OE1 GLN A 115 -5.279 2.227 11.744 1.00 53.25 O ATOM 1751 NE2 GLN A 115 -4.861 2.891 9.660 1.00 54.34 N ATOM 0 H GLN A 115 -3.015 -0.126 7.860 1.00 51.33 H new ATOM 0 HA GLN A 115 -2.417 -1.408 10.317 1.00 62.43 H new ATOM 0 HB2 GLN A 115 -4.896 -0.080 9.157 1.00 62.44 H new ATOM 0 HB3 GLN A 115 -4.872 -0.740 10.780 1.00 62.44 H new ATOM 0 HG2 GLN A 115 -3.159 0.798 11.475 1.00 62.14 H new ATOM 0 HG3 GLN A 115 -2.873 1.324 9.827 1.00 62.14 H new ATOM 0 HE21 GLN A 115 -4.337 2.746 8.797 1.00 54.34 H new ATOM 0 HE22 GLN A 115 -5.532 3.656 9.727 1.00 54.34 H new ATOM 1760 N LYS A 116 -4.483 -2.926 8.260 1.00 51.54 N ATOM 1761 CA LYS A 116 -5.190 -4.164 7.945 1.00 52.34 C ATOM 1762 C LYS A 116 -4.228 -5.323 7.675 1.00 1.35 C ATOM 1763 O LYS A 116 -4.616 -6.480 7.757 1.00 14.31 O ATOM 1764 CB LYS A 116 -6.139 -3.956 6.768 1.00 33.00 C ATOM 1765 CG LYS A 116 -7.261 -2.974 7.079 1.00 51.11 C ATOM 1766 CD LYS A 116 -8.217 -2.794 5.908 1.00 31.05 C ATOM 1767 CE LYS A 116 -9.094 -4.021 5.685 1.00 74.15 C ATOM 1768 NZ LYS A 116 -9.992 -4.282 6.840 1.00 64.02 N ATOM 0 H LYS A 116 -4.491 -2.247 7.499 1.00 51.54 H new ATOM 0 HA LYS A 116 -5.778 -4.436 8.822 1.00 52.34 H new ATOM 0 HB2 LYS A 116 -5.572 -3.593 5.910 1.00 33.00 H new ATOM 0 HB3 LYS A 116 -6.571 -4.915 6.482 1.00 33.00 H new ATOM 0 HG2 LYS A 116 -7.817 -3.326 7.948 1.00 51.11 H new ATOM 0 HG3 LYS A 116 -6.831 -2.008 7.345 1.00 51.11 H new ATOM 0 HD2 LYS A 116 -8.850 -1.925 6.089 1.00 31.05 H new ATOM 0 HD3 LYS A 116 -7.645 -2.589 5.003 1.00 31.05 H new ATOM 0 HE2 LYS A 116 -9.693 -3.880 4.785 1.00 74.15 H new ATOM 0 HE3 LYS A 116 -8.462 -4.892 5.514 1.00 74.15 H new ATOM 0 HZ1 LYS A 116 -10.746 -4.938 6.552 1.00 64.02 H new ATOM 0 HZ2 LYS A 116 -9.444 -4.703 7.617 1.00 64.02 H new ATOM 0 HZ3 LYS A 116 -10.415 -3.387 7.160 1.00 64.02 H new ATOM 1782 N ALA A 117 -2.999 -5.010 7.278 1.00 73.40 N ATOM 1783 CA ALA A 117 -1.971 -6.023 7.044 1.00 12.51 C ATOM 1784 C ALA A 117 -1.550 -6.702 8.342 1.00 45.32 C ATOM 1785 O ALA A 117 -1.389 -7.922 8.402 1.00 3.22 O ATOM 1786 CB ALA A 117 -0.770 -5.385 6.374 1.00 42.23 C ATOM 0 H ALA A 117 -2.687 -4.054 7.110 1.00 73.40 H new ATOM 0 HA ALA A 117 -2.390 -6.789 6.391 1.00 12.51 H new ATOM 0 HB1 ALA A 117 -0.005 -6.142 6.201 1.00 42.23 H new ATOM 0 HB2 ALA A 117 -1.073 -4.951 5.421 1.00 42.23 H new ATOM 0 HB3 ALA A 117 -0.367 -4.603 7.018 1.00 42.23 H new ATOM 1792 N LEU A 118 -1.435 -5.901 9.390 1.00 34.14 N ATOM 1793 CA LEU A 118 -0.867 -6.344 10.650 1.00 63.22 C ATOM 1794 C LEU A 118 -1.942 -6.465 11.740 1.00 30.13 C ATOM 1795 O LEU A 118 -1.614 -6.612 12.920 1.00 34.21 O ATOM 1796 CB LEU A 118 0.210 -5.335 11.058 1.00 40.45 C ATOM 1797 CG LEU A 118 1.260 -5.069 9.983 1.00 20.23 C ATOM 1798 CD1 LEU A 118 1.750 -3.655 10.072 1.00 53.14 C ATOM 1799 CD2 LEU A 118 2.422 -6.019 10.123 1.00 33.02 C ATOM 0 H LEU A 118 -1.733 -4.926 9.389 1.00 34.14 H new ATOM 0 HA LEU A 118 -0.432 -7.336 10.529 1.00 63.22 H new ATOM 0 HB2 LEU A 118 -0.272 -4.393 11.320 1.00 40.45 H new ATOM 0 HB3 LEU A 118 0.710 -5.698 11.956 1.00 40.45 H new ATOM 0 HG LEU A 118 0.795 -5.227 9.010 1.00 20.23 H new ATOM 0 HD11 LEU A 118 2.498 -3.480 9.299 1.00 53.14 H new ATOM 0 HD12 LEU A 118 0.914 -2.971 9.929 1.00 53.14 H new ATOM 0 HD13 LEU A 118 2.195 -3.485 11.053 1.00 53.14 H new ATOM 0 HD21 LEU A 118 3.158 -5.811 9.346 1.00 33.02 H new ATOM 0 HD22 LEU A 118 2.882 -5.889 11.103 1.00 33.02 H new ATOM 0 HD23 LEU A 118 2.068 -7.045 10.021 1.00 33.02 H new ATOM 1811 N LYS A 119 -3.226 -6.432 11.333 1.00 65.45 N ATOM 1812 CA LYS A 119 -4.358 -6.461 12.281 1.00 22.31 C ATOM 1813 C LYS A 119 -4.525 -7.820 12.973 1.00 13.12 C ATOM 1814 O LYS A 119 -4.888 -7.878 14.147 1.00 2.34 O ATOM 1815 CB LYS A 119 -5.675 -5.981 11.609 1.00 43.04 C ATOM 1816 CG LYS A 119 -6.198 -6.788 10.404 1.00 25.12 C ATOM 1817 CD LYS A 119 -7.084 -7.957 10.798 1.00 22.43 C ATOM 1818 CE LYS A 119 -8.280 -7.548 11.638 1.00 20.52 C ATOM 1819 NZ LYS A 119 -8.964 -8.739 12.211 1.00 21.33 N ATOM 0 H LYS A 119 -3.506 -6.385 10.353 1.00 65.45 H new ATOM 0 HA LYS A 119 -4.117 -5.752 13.073 1.00 22.31 H new ATOM 0 HB2 LYS A 119 -6.455 -5.970 12.370 1.00 43.04 H new ATOM 0 HB3 LYS A 119 -5.531 -4.950 11.286 1.00 43.04 H new ATOM 0 HG2 LYS A 119 -6.758 -6.123 9.747 1.00 25.12 H new ATOM 0 HG3 LYS A 119 -5.349 -7.162 9.831 1.00 25.12 H new ATOM 0 HD2 LYS A 119 -7.436 -8.457 9.896 1.00 22.43 H new ATOM 0 HD3 LYS A 119 -6.490 -8.683 11.353 1.00 22.43 H new ATOM 0 HE2 LYS A 119 -7.955 -6.889 12.443 1.00 20.52 H new ATOM 0 HE3 LYS A 119 -8.982 -6.981 11.026 1.00 20.52 H new ATOM 0 HZ1 LYS A 119 -9.389 -8.488 13.127 1.00 21.33 H new ATOM 0 HZ2 LYS A 119 -9.709 -9.058 11.560 1.00 21.33 H new ATOM 0 HZ3 LYS A 119 -8.273 -9.504 12.348 1.00 21.33 H new ATOM 1833 N ASP A 120 -4.252 -8.905 12.252 1.00 45.53 N ATOM 1834 CA ASP A 120 -4.275 -10.243 12.851 1.00 11.14 C ATOM 1835 C ASP A 120 -2.881 -10.648 13.291 1.00 53.32 C ATOM 1836 O ASP A 120 -2.724 -11.565 14.099 1.00 2.32 O ATOM 1837 CB ASP A 120 -4.804 -11.302 11.878 1.00 74.40 C ATOM 1838 CG ASP A 120 -6.292 -11.226 11.647 1.00 73.13 C ATOM 1839 OD1 ASP A 120 -7.061 -11.199 12.626 1.00 64.21 O ATOM 1840 OD2 ASP A 120 -6.697 -11.188 10.473 1.00 61.14 O ATOM 0 H ASP A 120 -4.014 -8.888 11.260 1.00 45.53 H new ATOM 0 HA ASP A 120 -4.946 -10.191 13.709 1.00 11.14 H new ATOM 0 HB2 ASP A 120 -4.291 -11.193 10.922 1.00 74.40 H new ATOM 0 HB3 ASP A 120 -4.555 -12.291 12.262 1.00 74.40 H new ATOM 1845 N ALA A 121 -1.880 -9.945 12.719 1.00 45.43 N ATOM 1846 CA ALA A 121 -0.443 -10.217 12.890 1.00 51.32 C ATOM 1847 C ALA A 121 -0.046 -11.644 12.481 1.00 25.32 C ATOM 1848 O ALA A 121 0.968 -12.179 12.939 1.00 2.42 O ATOM 1849 CB ALA A 121 0.007 -9.884 14.305 1.00 22.14 C ATOM 0 H ALA A 121 -2.059 -9.149 12.107 1.00 45.43 H new ATOM 0 HA ALA A 121 0.087 -9.558 12.202 1.00 51.32 H new ATOM 0 HB1 ALA A 121 1.072 -10.093 14.407 1.00 22.14 H new ATOM 0 HB2 ALA A 121 -0.176 -8.829 14.506 1.00 22.14 H new ATOM 0 HB3 ALA A 121 -0.552 -10.491 15.017 1.00 22.14 H new ATOM 1855 N GLU A 122 -0.829 -12.231 11.570 1.00 61.14 N ATOM 1856 CA GLU A 122 -0.509 -13.513 10.961 1.00 10.13 C ATOM 1857 C GLU A 122 -1.077 -13.589 9.536 1.00 22.21 C ATOM 1858 O GLU A 122 -1.270 -14.674 8.989 1.00 72.21 O ATOM 1859 CB GLU A 122 -1.021 -14.666 11.840 1.00 10.41 C ATOM 1860 CG GLU A 122 -2.518 -14.651 12.106 1.00 52.33 C ATOM 1861 CD GLU A 122 -2.942 -15.818 12.954 1.00 70.21 C ATOM 1862 OE1 GLU A 122 -3.268 -16.881 12.387 1.00 34.42 O ATOM 1863 OE2 GLU A 122 -2.940 -15.687 14.193 1.00 35.35 O ATOM 0 H GLU A 122 -1.703 -11.824 11.238 1.00 61.14 H new ATOM 0 HA GLU A 122 0.574 -13.609 10.888 1.00 10.13 H new ATOM 0 HB2 GLU A 122 -0.761 -15.611 11.363 1.00 10.41 H new ATOM 0 HB3 GLU A 122 -0.497 -14.636 12.795 1.00 10.41 H new ATOM 0 HG2 GLU A 122 -2.790 -13.721 12.604 1.00 52.33 H new ATOM 0 HG3 GLU A 122 -3.057 -14.674 11.159 1.00 52.33 H new ATOM 1870 N LYS A 123 -1.310 -12.419 8.927 1.00 15.42 N ATOM 1871 CA LYS A 123 -1.803 -12.340 7.547 1.00 64.04 C ATOM 1872 C LYS A 123 -0.626 -12.348 6.561 1.00 41.23 C ATOM 1873 O LYS A 123 -0.204 -11.300 6.071 1.00 52.03 O ATOM 1874 CB LYS A 123 -2.644 -11.071 7.333 1.00 43.02 C ATOM 1875 CG LYS A 123 -3.927 -11.006 8.155 1.00 4.11 C ATOM 1876 CD LYS A 123 -4.738 -9.751 7.836 1.00 23.04 C ATOM 1877 CE LYS A 123 -5.212 -9.745 6.388 1.00 11.25 C ATOM 1878 NZ LYS A 123 -5.920 -8.497 6.011 1.00 55.23 N ATOM 0 H LYS A 123 -1.164 -11.512 9.370 1.00 15.42 H new ATOM 0 HA LYS A 123 -2.434 -13.210 7.366 1.00 64.04 H new ATOM 0 HB2 LYS A 123 -2.031 -10.202 7.573 1.00 43.02 H new ATOM 0 HB3 LYS A 123 -2.902 -10.997 6.277 1.00 43.02 H new ATOM 0 HG2 LYS A 123 -4.532 -11.891 7.956 1.00 4.11 H new ATOM 0 HG3 LYS A 123 -3.680 -11.020 9.217 1.00 4.11 H new ATOM 0 HD2 LYS A 123 -5.599 -9.694 8.502 1.00 23.04 H new ATOM 0 HD3 LYS A 123 -4.130 -8.866 8.025 1.00 23.04 H new ATOM 0 HE2 LYS A 123 -4.353 -9.881 5.731 1.00 11.25 H new ATOM 0 HE3 LYS A 123 -5.875 -10.595 6.226 1.00 11.25 H new ATOM 0 HZ1 LYS A 123 -5.774 -8.307 4.999 1.00 55.23 H new ATOM 0 HZ2 LYS A 123 -6.937 -8.604 6.200 1.00 55.23 H new ATOM 0 HZ3 LYS A 123 -5.546 -7.703 6.570 1.00 55.23 H new ATOM 1892 N LEU A 124 -0.093 -13.533 6.291 1.00 44.11 N ATOM 1893 CA LEU A 124 1.143 -13.662 5.534 1.00 64.15 C ATOM 1894 C LEU A 124 0.856 -14.041 4.087 1.00 24.35 C ATOM 1895 O LEU A 124 0.065 -14.942 3.816 1.00 40.43 O ATOM 1896 CB LEU A 124 2.062 -14.698 6.215 1.00 65.34 C ATOM 1897 CG LEU A 124 3.557 -14.695 5.816 1.00 70.43 C ATOM 1898 CD1 LEU A 124 4.396 -15.249 6.954 1.00 65.42 C ATOM 1899 CD2 LEU A 124 3.820 -15.530 4.565 1.00 62.10 C ATOM 0 H LEU A 124 -0.500 -14.420 6.587 1.00 44.11 H new ATOM 0 HA LEU A 124 1.655 -12.700 5.521 1.00 64.15 H new ATOM 0 HB2 LEU A 124 2.001 -14.546 7.293 1.00 65.34 H new ATOM 0 HB3 LEU A 124 1.661 -15.690 6.010 1.00 65.34 H new ATOM 0 HG LEU A 124 3.830 -13.661 5.603 1.00 70.43 H new ATOM 0 HD11 LEU A 124 5.447 -15.244 6.667 1.00 65.42 H new ATOM 0 HD12 LEU A 124 4.259 -14.631 7.841 1.00 65.42 H new ATOM 0 HD13 LEU A 124 4.084 -16.270 7.172 1.00 65.42 H new ATOM 0 HD21 LEU A 124 4.882 -15.498 4.323 1.00 62.10 H new ATOM 0 HD22 LEU A 124 3.520 -16.562 4.747 1.00 62.10 H new ATOM 0 HD23 LEU A 124 3.246 -15.127 3.731 1.00 62.10 H new ATOM 1911 N GLU A 125 1.515 -13.334 3.174 1.00 70.35 N ATOM 1912 CA GLU A 125 1.514 -13.667 1.762 1.00 10.10 C ATOM 1913 C GLU A 125 2.901 -13.401 1.177 1.00 33.32 C ATOM 1914 O GLU A 125 3.346 -12.248 1.135 1.00 32.32 O ATOM 1915 CB GLU A 125 0.451 -12.854 1.019 1.00 64.51 C ATOM 1916 CG GLU A 125 0.318 -13.168 -0.472 1.00 72.52 C ATOM 1917 CD GLU A 125 -0.036 -14.613 -0.748 1.00 40.42 C ATOM 1918 OE1 GLU A 125 -1.213 -14.993 -0.586 1.00 31.13 O ATOM 1919 OE2 GLU A 125 0.866 -15.378 -1.125 1.00 13.34 O ATOM 0 H GLU A 125 2.068 -12.507 3.400 1.00 70.35 H new ATOM 0 HA GLU A 125 1.273 -14.723 1.643 1.00 10.10 H new ATOM 0 HB2 GLU A 125 -0.514 -13.023 1.497 1.00 64.51 H new ATOM 0 HB3 GLU A 125 0.681 -11.795 1.132 1.00 64.51 H new ATOM 0 HG2 GLU A 125 -0.447 -12.524 -0.905 1.00 72.52 H new ATOM 0 HG3 GLU A 125 1.256 -12.929 -0.972 1.00 72.52 H new ATOM 1926 N HIS A 126 3.559 -14.498 0.759 1.00 74.13 N ATOM 1927 CA HIS A 126 4.902 -14.502 0.133 1.00 23.51 C ATOM 1928 C HIS A 126 5.971 -13.998 1.097 1.00 64.10 C ATOM 1929 O HIS A 126 6.275 -12.807 1.139 1.00 32.24 O ATOM 1930 CB HIS A 126 4.947 -13.709 -1.190 1.00 23.21 C ATOM 1931 CG HIS A 126 4.069 -14.256 -2.273 1.00 50.41 C ATOM 1932 ND1 HIS A 126 3.336 -13.455 -3.117 1.00 22.31 N ATOM 1933 CD2 HIS A 126 3.814 -15.530 -2.652 1.00 4.40 C ATOM 1934 CE1 HIS A 126 2.667 -14.208 -3.966 1.00 1.15 C ATOM 1935 NE2 HIS A 126 2.937 -15.471 -3.709 1.00 75.42 N ATOM 0 H HIS A 126 3.164 -15.434 0.848 1.00 74.13 H new ATOM 0 HA HIS A 126 5.119 -15.542 -0.109 1.00 23.51 H new ATOM 0 HB2 HIS A 126 4.656 -12.678 -0.991 1.00 23.21 H new ATOM 0 HB3 HIS A 126 5.975 -13.686 -1.550 1.00 23.21 H new ATOM 0 HD2 HIS A 126 4.223 -16.425 -2.207 1.00 4.40 H new ATOM 0 HE1 HIS A 126 2.008 -13.850 -4.743 1.00 1.15 H new ATOM 0 HE2 HIS A 126 2.558 -16.274 -4.212 1.00 75.42 H new ATOM 1944 N HIS A 127 6.539 -14.927 1.862 1.00 53.23 N ATOM 1945 CA HIS A 127 7.485 -14.603 2.925 1.00 53.23 C ATOM 1946 C HIS A 127 8.838 -14.175 2.351 1.00 33.22 C ATOM 1947 O HIS A 127 9.566 -14.966 1.747 1.00 30.41 O ATOM 1948 CB HIS A 127 7.624 -15.812 3.871 1.00 50.31 C ATOM 1949 CG HIS A 127 8.569 -15.652 5.038 1.00 61.52 C ATOM 1950 ND1 HIS A 127 9.244 -16.717 5.594 1.00 1.43 N ATOM 1951 CD2 HIS A 127 8.933 -14.567 5.765 1.00 62.01 C ATOM 1952 CE1 HIS A 127 9.978 -16.294 6.605 1.00 54.32 C ATOM 1953 NE2 HIS A 127 9.809 -14.995 6.730 1.00 25.43 N ATOM 0 H HIS A 127 6.356 -15.925 1.762 1.00 53.23 H new ATOM 0 HA HIS A 127 7.105 -13.756 3.496 1.00 53.23 H new ATOM 0 HB2 HIS A 127 6.636 -16.053 4.263 1.00 50.31 H new ATOM 0 HB3 HIS A 127 7.951 -16.669 3.283 1.00 50.31 H new ATOM 0 HD2 HIS A 127 8.595 -13.553 5.612 1.00 62.01 H new ATOM 0 HE1 HIS A 127 10.611 -16.910 7.226 1.00 54.32 H new ATOM 0 HE2 HIS A 127 10.256 -14.403 7.430 1.00 25.43 H new ATOM 1962 N HIS A 128 9.132 -12.902 2.551 1.00 23.54 N ATOM 1963 CA HIS A 128 10.418 -12.317 2.230 1.00 23.54 C ATOM 1964 C HIS A 128 10.900 -11.441 3.386 1.00 1.32 C ATOM 1965 O HIS A 128 10.092 -10.889 4.136 1.00 61.33 O ATOM 1966 CB HIS A 128 10.378 -11.531 0.895 1.00 43.33 C ATOM 1967 CG HIS A 128 9.301 -10.471 0.736 1.00 23.43 C ATOM 1968 ND1 HIS A 128 8.244 -10.607 -0.136 1.00 31.44 N ATOM 1969 CD2 HIS A 128 9.172 -9.233 1.266 1.00 4.44 C ATOM 1970 CE1 HIS A 128 7.525 -9.502 -0.139 1.00 74.20 C ATOM 1971 NE2 HIS A 128 8.065 -8.645 0.705 1.00 2.34 N ATOM 0 H HIS A 128 8.470 -12.236 2.948 1.00 23.54 H new ATOM 0 HA HIS A 128 11.134 -13.127 2.091 1.00 23.54 H new ATOM 0 HB2 HIS A 128 11.346 -11.049 0.759 1.00 43.33 H new ATOM 0 HB3 HIS A 128 10.264 -12.251 0.084 1.00 43.33 H new ATOM 0 HD2 HIS A 128 9.825 -8.786 2.001 1.00 4.44 H new ATOM 0 HE1 HIS A 128 6.641 -9.328 -0.734 1.00 74.20 H new ATOM 0 HE2 HIS A 128 7.720 -7.707 0.907 1.00 2.34 H new ATOM 1980 N HIS A 129 12.216 -11.367 3.544 1.00 22.25 N ATOM 1981 CA HIS A 129 12.852 -10.517 4.559 1.00 34.24 C ATOM 1982 C HIS A 129 14.265 -10.132 4.104 1.00 63.21 C ATOM 1983 O HIS A 129 15.190 -9.969 4.908 1.00 11.01 O ATOM 1984 CB HIS A 129 12.844 -11.183 5.968 1.00 70.31 C ATOM 1985 CG HIS A 129 13.438 -12.575 6.104 1.00 24.23 C ATOM 1986 ND1 HIS A 129 13.175 -13.387 7.188 1.00 53.42 N ATOM 1987 CD2 HIS A 129 14.301 -13.280 5.327 1.00 41.44 C ATOM 1988 CE1 HIS A 129 13.845 -14.521 7.071 1.00 60.03 C ATOM 1989 NE2 HIS A 129 14.531 -14.481 5.951 1.00 64.24 N ATOM 0 H HIS A 129 12.878 -11.893 2.974 1.00 22.25 H new ATOM 0 HA HIS A 129 12.267 -9.603 4.660 1.00 34.24 H new ATOM 0 HB2 HIS A 129 13.379 -10.524 6.652 1.00 70.31 H new ATOM 0 HB3 HIS A 129 11.810 -11.226 6.311 1.00 70.31 H new ATOM 0 HD1 HIS A 129 12.557 -13.148 7.963 1.00 53.42 H new ATOM 0 HD2 HIS A 129 14.728 -12.955 4.390 1.00 41.44 H new ATOM 0 HE1 HIS A 129 13.831 -15.340 7.775 1.00 60.03 H new ATOM 1998 N HIS A 130 14.382 -9.897 2.801 1.00 21.10 N ATOM 1999 CA HIS A 130 15.670 -9.876 2.120 1.00 44.03 C ATOM 2000 C HIS A 130 16.294 -8.471 2.042 1.00 41.23 C ATOM 2001 O HIS A 130 17.448 -8.329 1.631 1.00 20.44 O ATOM 2002 CB HIS A 130 15.478 -10.465 0.714 1.00 35.11 C ATOM 2003 CG HIS A 130 16.740 -10.899 0.031 1.00 44.41 C ATOM 2004 ND1 HIS A 130 17.586 -11.845 0.558 1.00 0.12 N ATOM 2005 CD2 HIS A 130 17.305 -10.495 -1.128 1.00 54.42 C ATOM 2006 CE1 HIS A 130 18.619 -12.006 -0.243 1.00 22.42 C ATOM 2007 NE2 HIS A 130 18.473 -11.200 -1.272 1.00 41.02 N ATOM 0 H HIS A 130 13.587 -9.716 2.189 1.00 21.10 H new ATOM 0 HA HIS A 130 16.372 -10.475 2.700 1.00 44.03 H new ATOM 0 HB2 HIS A 130 14.807 -11.321 0.784 1.00 35.11 H new ATOM 0 HB3 HIS A 130 14.982 -9.722 0.090 1.00 35.11 H new ATOM 0 HD2 HIS A 130 16.912 -9.757 -1.811 1.00 54.42 H new ATOM 0 HE1 HIS A 130 19.444 -12.684 -0.082 1.00 22.42 H new ATOM 0 HE2 HIS A 130 19.124 -11.113 -2.052 1.00 41.02 H new ATOM 2016 N HIS A 131 15.560 -7.435 2.449 1.00 42.23 N ATOM 2017 CA HIS A 131 16.070 -6.056 2.346 1.00 54.11 C ATOM 2018 C HIS A 131 16.877 -5.666 3.587 1.00 52.03 C ATOM 2019 O HIS A 131 17.419 -6.515 4.301 1.00 62.32 O ATOM 2020 CB HIS A 131 14.942 -5.032 2.166 1.00 61.22 C ATOM 2021 CG HIS A 131 14.135 -5.144 0.900 1.00 24.04 C ATOM 2022 ND1 HIS A 131 14.013 -4.113 0.000 1.00 63.10 N ATOM 2023 CD2 HIS A 131 13.349 -6.140 0.425 1.00 74.30 C ATOM 2024 CE1 HIS A 131 13.187 -4.466 -0.965 1.00 11.12 C ATOM 2025 NE2 HIS A 131 12.769 -5.691 -0.732 1.00 45.01 N ATOM 0 H HIS A 131 14.625 -7.515 2.848 1.00 42.23 H new ATOM 0 HA HIS A 131 16.710 -6.041 1.464 1.00 54.11 H new ATOM 0 HB2 HIS A 131 14.262 -5.119 3.014 1.00 61.22 H new ATOM 0 HB3 HIS A 131 15.377 -4.033 2.207 1.00 61.22 H new ATOM 0 HD2 HIS A 131 13.206 -7.111 0.876 1.00 74.30 H new ATOM 0 HE1 HIS A 131 12.901 -3.852 -1.806 1.00 11.12 H new ATOM 0 HE2 HIS A 131 12.121 -6.219 -1.316 1.00 45.01 H new TER 2034 HIS A 131