USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 889 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 109:sc= 0.429 USER MOD Set 1.2: A 115 GLN : amide:sc= 0.855 K(o=1.3,f=0.29) USER MOD Set 2.1: A 78 TYR OH : rot 165:sc= 0.437 USER MOD Set 2.2: A 82 LYS NZ :NH3+ -128:sc= 0.586 (180deg=0.506) USER MOD Set 3.1: A 69 HIS : no HD1:sc= -0.815 K(o=-1.1,f=-3.7!) USER MOD Set 3.2: A 71 GLN : amide:sc= -0.252 K(o=-1.1,f=-5.3!) USER MOD Set 4.1: A 47 LYS NZ :NH3+ 158:sc= 0.706 (180deg=0.513) USER MOD Set 4.2: A 56 TYR OH : rot 90:sc= 1.09 USER MOD Set 5.1: A 23 THR OG1 : rot 161:sc= 0.00797 USER MOD Set 5.2: A 37 ASN : amide:sc= -0.565 X(o=-0.56,f=-0.42) USER MOD Single : A 1 MET CE :methyl 169:sc= -0.0372 (180deg=-0.242) USER MOD Single : A 1 MET N :NH3+ -164:sc=-0.00502 (180deg=-0.205) USER MOD Single : A 2 LYS NZ :NH3+ -139:sc= 0.126 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 169:sc= 0.537 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -140:sc= 0.0247 USER MOD Single : A 19 LYS NZ :NH3+ 155:sc= 0.728 (180deg=0.401) USER MOD Single : A 21 THR OG1 : rot 161:sc= -0.579 USER MOD Single : A 27 LYS NZ :NH3+ -123:sc= 0.00499 (180deg=-0.169) USER MOD Single : A 28 ASN : amide:sc= -0.281 X(o=-0.28,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 133:sc= 0.24 USER MOD Single : A 40 ASN : amide:sc= 0.77 K(o=0.77,f=-4.8!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.00717 USER MOD Single : A 51 SER OG : rot 86:sc= 0.699 USER MOD Single : A 53 ASN : amide:sc= 0.121 K(o=0.12,f=-0.75) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -166:sc= -0.0276 (180deg=-0.299) USER MOD Single : A 74 LYS NZ :NH3+ -157:sc= 0.363 (180deg=0.178) USER MOD Single : A 83 GLN : amide:sc= -0.203 K(o=-0.2,f=-2.8) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 28:sc= -0.69 USER MOD Single : A 91 LYS NZ :NH3+ -162:sc= -0.0929 (180deg=-0.577) USER MOD Single : A 93 ASN : amide:sc= -0.172 X(o=-0.17,f=-0.11) USER MOD Single : A 96 HIS : no HE2:sc= 1.03 K(o=1.1,f=-3.6!) USER MOD Single : A 97 THR OG1 : rot -160:sc= 0.0955 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0.022 USER MOD Single : A 106 LYS NZ :NH3+ 152:sc= 0.505 (180deg=-0.233) USER MOD Single : A 108 LYS NZ :NH3+ -165:sc= 0.182 (180deg=-0.105) USER MOD Single : A 109 LYS NZ :NH3+ -169:sc= 0.463 (180deg=0.392) USER MOD Single : A 116 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.026) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 149:sc= 0.62 (180deg=-0.129) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.702 -8.651 16.294 1.00 2.11 N ATOM 2 CA MET A 1 3.538 -8.648 15.067 1.00 40.41 C ATOM 3 C MET A 1 4.759 -9.534 15.256 1.00 53.34 C ATOM 4 O MET A 1 5.612 -9.252 16.098 1.00 34.41 O ATOM 5 CB MET A 1 3.984 -7.227 14.724 1.00 31.12 C ATOM 6 CG MET A 1 2.850 -6.309 14.295 1.00 31.43 C ATOM 7 SD MET A 1 3.343 -4.577 14.183 1.00 61.32 S ATOM 8 CE MET A 1 4.689 -4.652 13.006 1.00 30.54 C ATOM 0 H1 MET A 1 1.758 -8.277 16.071 1.00 2.11 H new ATOM 0 H2 MET A 1 2.614 -9.624 16.651 1.00 2.11 H new ATOM 0 H3 MET A 1 3.148 -8.055 17.020 1.00 2.11 H new ATOM 0 HA MET A 1 2.937 -9.038 14.246 1.00 40.41 H new ATOM 0 HB2 MET A 1 4.480 -6.793 15.592 1.00 31.12 H new ATOM 0 HB3 MET A 1 4.723 -7.272 13.924 1.00 31.12 H new ATOM 0 HG2 MET A 1 2.473 -6.636 13.326 1.00 31.43 H new ATOM 0 HG3 MET A 1 2.028 -6.401 15.005 1.00 31.43 H new ATOM 0 HE1 MET A 1 4.958 -3.642 12.695 1.00 30.54 H new ATOM 0 HE2 MET A 1 5.552 -5.130 13.470 1.00 30.54 H new ATOM 0 HE3 MET A 1 4.379 -5.229 12.135 1.00 30.54 H new ATOM 20 N LYS A 2 4.830 -10.603 14.474 1.00 35.22 N ATOM 21 CA LYS A 2 5.944 -11.550 14.544 1.00 71.21 C ATOM 22 C LYS A 2 6.812 -11.427 13.301 1.00 33.24 C ATOM 23 O LYS A 2 6.432 -10.746 12.352 1.00 41.03 O ATOM 24 CB LYS A 2 5.415 -12.988 14.658 1.00 40.14 C ATOM 25 CG LYS A 2 4.523 -13.226 15.868 1.00 23.52 C ATOM 26 CD LYS A 2 4.023 -14.664 15.948 1.00 23.11 C ATOM 27 CE LYS A 2 3.114 -15.033 14.779 1.00 34.34 C ATOM 28 NZ LYS A 2 2.554 -16.399 14.930 1.00 2.34 N ATOM 0 H LYS A 2 4.124 -10.841 13.777 1.00 35.22 H new ATOM 0 HA LYS A 2 6.540 -11.318 15.426 1.00 71.21 H new ATOM 0 HB2 LYS A 2 4.856 -13.231 13.754 1.00 40.14 H new ATOM 0 HB3 LYS A 2 6.262 -13.673 14.703 1.00 40.14 H new ATOM 0 HG2 LYS A 2 5.076 -12.985 16.776 1.00 23.52 H new ATOM 0 HG3 LYS A 2 3.670 -12.549 15.825 1.00 23.52 H new ATOM 0 HD2 LYS A 2 4.877 -15.341 15.968 1.00 23.11 H new ATOM 0 HD3 LYS A 2 3.482 -14.805 16.884 1.00 23.11 H new ATOM 0 HE2 LYS A 2 2.300 -14.312 14.709 1.00 34.34 H new ATOM 0 HE3 LYS A 2 3.676 -14.971 13.847 1.00 34.34 H new ATOM 0 HZ1 LYS A 2 2.565 -16.882 14.009 1.00 2.34 H new ATOM 0 HZ2 LYS A 2 3.129 -16.937 15.610 1.00 2.34 H new ATOM 0 HZ3 LYS A 2 1.575 -16.337 15.277 1.00 2.34 H new ATOM 42 N ASP A 3 7.986 -12.056 13.331 1.00 42.22 N ATOM 43 CA ASP A 3 8.820 -12.209 12.137 1.00 72.32 C ATOM 44 C ASP A 3 8.075 -13.003 11.050 1.00 35.10 C ATOM 45 O ASP A 3 7.820 -14.205 11.187 1.00 43.12 O ATOM 46 CB ASP A 3 10.137 -12.907 12.500 1.00 71.25 C ATOM 47 CG ASP A 3 11.129 -12.957 11.352 1.00 52.40 C ATOM 48 OD1 ASP A 3 11.734 -11.917 11.046 1.00 63.23 O ATOM 49 OD2 ASP A 3 11.328 -14.040 10.772 1.00 2.22 O ATOM 0 H ASP A 3 8.384 -12.470 14.174 1.00 42.22 H new ATOM 0 HA ASP A 3 9.043 -11.218 11.742 1.00 72.32 H new ATOM 0 HB2 ASP A 3 10.594 -12.389 13.343 1.00 71.25 H new ATOM 0 HB3 ASP A 3 9.922 -13.924 12.829 1.00 71.25 H new ATOM 54 N GLY A 4 7.697 -12.289 10.004 1.00 35.13 N ATOM 55 CA GLY A 4 6.948 -12.852 8.900 1.00 40.33 C ATOM 56 C GLY A 4 6.632 -11.791 7.868 1.00 62.14 C ATOM 57 O GLY A 4 7.057 -10.650 8.009 1.00 42.10 O ATOM 0 H GLY A 4 7.904 -11.296 9.899 1.00 35.13 H new ATOM 0 HA2 GLY A 4 7.521 -13.656 8.438 1.00 40.33 H new ATOM 0 HA3 GLY A 4 6.022 -13.293 9.270 1.00 40.33 H new ATOM 61 N THR A 5 5.916 -12.155 6.824 1.00 74.25 N ATOM 62 CA THR A 5 5.552 -11.198 5.793 1.00 41.34 C ATOM 63 C THR A 5 4.050 -11.260 5.531 1.00 21.32 C ATOM 64 O THR A 5 3.503 -12.279 5.101 1.00 61.50 O ATOM 65 CB THR A 5 6.363 -11.411 4.494 1.00 64.04 C ATOM 66 OG1 THR A 5 7.759 -11.488 4.815 1.00 62.24 O ATOM 67 CG2 THR A 5 6.152 -10.263 3.512 1.00 64.34 C ATOM 0 H THR A 5 5.574 -13.103 6.665 1.00 74.25 H new ATOM 0 HA THR A 5 5.802 -10.200 6.153 1.00 41.34 H new ATOM 0 HB THR A 5 6.020 -12.336 4.030 1.00 64.04 H new ATOM 0 HG1 THR A 5 8.276 -11.625 3.994 1.00 62.24 H new ATOM 0 HG21 THR A 5 6.736 -10.444 2.610 1.00 64.34 H new ATOM 0 HG22 THR A 5 5.095 -10.195 3.253 1.00 64.34 H new ATOM 0 HG23 THR A 5 6.473 -9.328 3.971 1.00 64.34 H new ATOM 75 N TYR A 6 3.410 -10.143 5.817 1.00 41.41 N ATOM 76 CA TYR A 6 1.963 -10.019 5.844 1.00 74.23 C ATOM 77 C TYR A 6 1.505 -9.154 4.688 1.00 12.24 C ATOM 78 O TYR A 6 2.248 -8.300 4.247 1.00 51.22 O ATOM 79 CB TYR A 6 1.543 -9.354 7.166 1.00 21.04 C ATOM 80 CG TYR A 6 2.135 -10.010 8.397 1.00 10.41 C ATOM 81 CD1 TYR A 6 1.578 -11.154 8.921 1.00 32.22 C ATOM 82 CD2 TYR A 6 3.267 -9.494 9.018 1.00 62.33 C ATOM 83 CE1 TYR A 6 2.117 -11.771 10.023 1.00 2.21 C ATOM 84 CE2 TYR A 6 3.810 -10.105 10.129 1.00 32.44 C ATOM 85 CZ TYR A 6 3.230 -11.248 10.622 1.00 1.41 C ATOM 86 OH TYR A 6 3.759 -11.872 11.724 1.00 13.44 O ATOM 0 H TYR A 6 3.893 -9.274 6.043 1.00 41.41 H new ATOM 0 HA TYR A 6 1.510 -11.007 5.760 1.00 74.23 H new ATOM 0 HB2 TYR A 6 1.842 -8.306 7.145 1.00 21.04 H new ATOM 0 HB3 TYR A 6 0.456 -9.374 7.242 1.00 21.04 H new ATOM 0 HD1 TYR A 6 0.699 -11.575 8.456 1.00 32.22 H new ATOM 0 HD2 TYR A 6 3.728 -8.601 8.624 1.00 62.33 H new ATOM 0 HE1 TYR A 6 1.663 -12.668 10.416 1.00 2.21 H new ATOM 0 HE2 TYR A 6 4.684 -9.688 10.607 1.00 32.44 H new ATOM 0 HH TYR A 6 4.641 -11.494 11.922 1.00 13.44 H new ATOM 96 N TYR A 7 0.313 -9.383 4.174 1.00 10.35 N ATOM 97 CA TYR A 7 -0.252 -8.475 3.187 1.00 75.14 C ATOM 98 C TYR A 7 -1.748 -8.306 3.448 1.00 52.43 C ATOM 99 O TYR A 7 -2.372 -9.143 4.114 1.00 54.20 O ATOM 100 CB TYR A 7 0.058 -8.950 1.736 1.00 41.31 C ATOM 101 CG TYR A 7 -1.051 -9.698 1.014 1.00 10.50 C ATOM 102 CD1 TYR A 7 -1.350 -11.023 1.313 1.00 3.25 C ATOM 103 CD2 TYR A 7 -1.808 -9.058 0.038 1.00 43.42 C ATOM 104 CE1 TYR A 7 -2.369 -11.685 0.659 1.00 4.53 C ATOM 105 CE2 TYR A 7 -2.831 -9.712 -0.616 1.00 24.15 C ATOM 106 CZ TYR A 7 -3.107 -11.024 -0.302 1.00 30.35 C ATOM 107 OH TYR A 7 -4.134 -11.677 -0.945 1.00 72.41 O ATOM 0 H TYR A 7 -0.279 -10.178 4.417 1.00 10.35 H new ATOM 0 HA TYR A 7 0.217 -7.496 3.286 1.00 75.14 H new ATOM 0 HB2 TYR A 7 0.323 -8.076 1.141 1.00 41.31 H new ATOM 0 HB3 TYR A 7 0.938 -9.593 1.768 1.00 41.31 H new ATOM 0 HD1 TYR A 7 -0.777 -11.541 2.068 1.00 3.25 H new ATOM 0 HD2 TYR A 7 -1.591 -8.030 -0.212 1.00 43.42 H new ATOM 0 HE1 TYR A 7 -2.588 -12.715 0.898 1.00 4.53 H new ATOM 0 HE2 TYR A 7 -3.411 -9.199 -1.369 1.00 24.15 H new ATOM 0 HH TYR A 7 -4.553 -11.071 -1.591 1.00 72.41 H new ATOM 117 N ALA A 8 -2.310 -7.217 2.946 1.00 73.21 N ATOM 118 CA ALA A 8 -3.745 -7.014 2.964 1.00 53.22 C ATOM 119 C ALA A 8 -4.191 -6.442 1.646 1.00 45.10 C ATOM 120 O ALA A 8 -3.440 -5.720 1.002 1.00 45.15 O ATOM 121 CB ALA A 8 -4.149 -6.088 4.080 1.00 24.41 C ATOM 0 H ALA A 8 -1.785 -6.455 2.518 1.00 73.21 H new ATOM 0 HA ALA A 8 -4.225 -7.979 3.130 1.00 53.22 H new ATOM 0 HB1 ALA A 8 -5.231 -5.955 4.068 1.00 24.41 H new ATOM 0 HB2 ALA A 8 -3.846 -6.516 5.036 1.00 24.41 H new ATOM 0 HB3 ALA A 8 -3.663 -5.122 3.945 1.00 24.41 H new ATOM 127 N GLU A 9 -5.415 -6.743 1.264 1.00 64.31 N ATOM 128 CA GLU A 9 -5.955 -6.282 0.003 1.00 44.04 C ATOM 129 C GLU A 9 -7.083 -5.300 0.255 1.00 3.11 C ATOM 130 O GLU A 9 -7.774 -5.384 1.278 1.00 60.01 O ATOM 131 CB GLU A 9 -6.450 -7.466 -0.831 1.00 31.51 C ATOM 132 CG GLU A 9 -7.561 -8.275 -0.172 1.00 42.21 C ATOM 133 CD GLU A 9 -8.131 -9.333 -1.080 1.00 14.23 C ATOM 134 OE1 GLU A 9 -7.589 -10.452 -1.105 1.00 42.54 O ATOM 135 OE2 GLU A 9 -9.142 -9.053 -1.755 1.00 42.33 O ATOM 0 H GLU A 9 -6.059 -7.310 1.815 1.00 64.31 H new ATOM 0 HA GLU A 9 -5.167 -5.777 -0.556 1.00 44.04 H new ATOM 0 HB2 GLU A 9 -6.807 -7.095 -1.792 1.00 31.51 H new ATOM 0 HB3 GLU A 9 -5.608 -8.127 -1.038 1.00 31.51 H new ATOM 0 HG2 GLU A 9 -7.173 -8.748 0.730 1.00 42.21 H new ATOM 0 HG3 GLU A 9 -8.359 -7.601 0.139 1.00 42.21 H new ATOM 142 N ALA A 10 -7.219 -4.333 -0.651 1.00 55.01 N ATOM 143 CA ALA A 10 -8.229 -3.287 -0.538 1.00 42.22 C ATOM 144 C ALA A 10 -9.642 -3.859 -0.561 1.00 65.40 C ATOM 145 O ALA A 10 -9.903 -4.885 -1.186 1.00 32.30 O ATOM 146 CB ALA A 10 -8.052 -2.274 -1.650 1.00 20.33 C ATOM 0 H ALA A 10 -6.632 -4.254 -1.482 1.00 55.01 H new ATOM 0 HA ALA A 10 -8.092 -2.794 0.424 1.00 42.22 H new ATOM 0 HB1 ALA A 10 -8.810 -1.496 -1.558 1.00 20.33 H new ATOM 0 HB2 ALA A 10 -7.061 -1.825 -1.579 1.00 20.33 H new ATOM 0 HB3 ALA A 10 -8.157 -2.771 -2.615 1.00 20.33 H new ATOM 152 N ASP A 11 -10.540 -3.182 0.137 1.00 4.11 N ATOM 153 CA ASP A 11 -11.939 -3.600 0.219 1.00 12.41 C ATOM 154 C ASP A 11 -12.707 -3.151 -1.040 1.00 43.40 C ATOM 155 O ASP A 11 -13.802 -3.634 -1.332 1.00 0.43 O ATOM 156 CB ASP A 11 -12.559 -3.014 1.500 1.00 31.12 C ATOM 157 CG ASP A 11 -13.956 -3.521 1.791 1.00 23.31 C ATOM 158 OD1 ASP A 11 -14.100 -4.694 2.188 1.00 61.22 O ATOM 159 OD2 ASP A 11 -14.916 -2.740 1.638 1.00 72.03 O ATOM 0 H ASP A 11 -10.327 -2.333 0.661 1.00 4.11 H new ATOM 0 HA ASP A 11 -12.002 -4.687 0.265 1.00 12.41 H new ATOM 0 HB2 ASP A 11 -11.913 -3.250 2.346 1.00 31.12 H new ATOM 0 HB3 ASP A 11 -12.587 -1.928 1.415 1.00 31.12 H new ATOM 164 N ASP A 12 -12.095 -2.241 -1.789 1.00 72.24 N ATOM 165 CA ASP A 12 -12.654 -1.744 -3.034 1.00 24.13 C ATOM 166 C ASP A 12 -11.578 -1.713 -4.125 1.00 21.34 C ATOM 167 O ASP A 12 -10.387 -1.551 -3.828 1.00 10.44 O ATOM 168 CB ASP A 12 -13.248 -0.331 -2.826 1.00 64.01 C ATOM 169 CG ASP A 12 -12.211 0.746 -2.517 1.00 25.30 C ATOM 170 OD1 ASP A 12 -11.832 0.899 -1.341 1.00 43.11 O ATOM 171 OD2 ASP A 12 -11.765 1.439 -3.452 1.00 53.54 O ATOM 0 H ASP A 12 -11.195 -1.828 -1.546 1.00 72.24 H new ATOM 0 HA ASP A 12 -13.452 -2.415 -3.352 1.00 24.13 H new ATOM 0 HB2 ASP A 12 -13.796 -0.044 -3.723 1.00 64.01 H new ATOM 0 HB3 ASP A 12 -13.970 -0.369 -2.010 1.00 64.01 H new ATOM 176 N PHE A 13 -11.989 -1.903 -5.380 1.00 2.31 N ATOM 177 CA PHE A 13 -11.133 -1.556 -6.511 1.00 10.12 C ATOM 178 C PHE A 13 -11.167 -0.053 -6.674 1.00 44.21 C ATOM 179 O PHE A 13 -12.238 0.555 -6.572 1.00 53.11 O ATOM 180 CB PHE A 13 -11.573 -2.226 -7.824 1.00 65.33 C ATOM 181 CG PHE A 13 -11.372 -3.713 -7.863 1.00 71.32 C ATOM 182 CD1 PHE A 13 -10.124 -4.245 -8.137 1.00 3.44 C ATOM 183 CD2 PHE A 13 -12.428 -4.575 -7.639 1.00 33.53 C ATOM 184 CE1 PHE A 13 -9.934 -5.610 -8.190 1.00 73.40 C ATOM 185 CE2 PHE A 13 -12.244 -5.942 -7.688 1.00 4.31 C ATOM 186 CZ PHE A 13 -10.995 -6.460 -7.962 1.00 43.11 C ATOM 0 H PHE A 13 -12.898 -2.290 -5.635 1.00 2.31 H new ATOM 0 HA PHE A 13 -10.126 -1.917 -6.301 1.00 10.12 H new ATOM 0 HB2 PHE A 13 -12.628 -2.010 -7.991 1.00 65.33 H new ATOM 0 HB3 PHE A 13 -11.021 -1.776 -8.649 1.00 65.33 H new ATOM 0 HD1 PHE A 13 -9.289 -3.583 -8.311 1.00 3.44 H new ATOM 0 HD2 PHE A 13 -13.408 -4.175 -7.423 1.00 33.53 H new ATOM 0 HE1 PHE A 13 -8.956 -6.012 -8.410 1.00 73.40 H new ATOM 0 HE2 PHE A 13 -13.077 -6.606 -7.512 1.00 4.31 H new ATOM 0 HZ PHE A 13 -10.849 -7.529 -7.998 1.00 43.11 H new ATOM 196 N ASP A 14 -10.009 0.547 -6.913 1.00 63.34 N ATOM 197 CA ASP A 14 -9.899 2.005 -6.983 1.00 50.14 C ATOM 198 C ASP A 14 -10.385 2.537 -8.353 1.00 30.14 C ATOM 199 O ASP A 14 -11.027 1.804 -9.112 1.00 2.42 O ATOM 200 CB ASP A 14 -8.454 2.422 -6.686 1.00 61.22 C ATOM 201 CG ASP A 14 -8.384 3.758 -5.973 1.00 41.04 C ATOM 202 OD1 ASP A 14 -8.551 3.784 -4.736 1.00 45.31 O ATOM 203 OD2 ASP A 14 -8.188 4.787 -6.652 1.00 40.41 O ATOM 0 H ASP A 14 -9.131 0.051 -7.062 1.00 63.34 H new ATOM 0 HA ASP A 14 -10.548 2.451 -6.229 1.00 50.14 H new ATOM 0 HB2 ASP A 14 -7.975 1.658 -6.073 1.00 61.22 H new ATOM 0 HB3 ASP A 14 -7.894 2.479 -7.619 1.00 61.22 H new ATOM 208 N GLU A 15 -10.077 3.801 -8.664 1.00 15.24 N ATOM 209 CA GLU A 15 -10.617 4.490 -9.845 1.00 34.43 C ATOM 210 C GLU A 15 -10.079 3.891 -11.151 1.00 12.52 C ATOM 211 O GLU A 15 -10.810 3.772 -12.127 1.00 54.45 O ATOM 212 CB GLU A 15 -10.282 5.984 -9.791 1.00 72.51 C ATOM 213 CG GLU A 15 -10.570 6.660 -8.452 1.00 71.25 C ATOM 214 CD GLU A 15 -12.037 6.679 -8.081 1.00 64.25 C ATOM 215 OE1 GLU A 15 -12.737 7.639 -8.463 1.00 62.43 O ATOM 216 OE2 GLU A 15 -12.496 5.741 -7.399 1.00 33.43 O ATOM 0 H GLU A 15 -9.447 4.376 -8.105 1.00 15.24 H new ATOM 0 HA GLU A 15 -11.699 4.356 -9.830 1.00 34.43 H new ATOM 0 HB2 GLU A 15 -9.226 6.113 -10.027 1.00 72.51 H new ATOM 0 HB3 GLU A 15 -10.847 6.497 -10.569 1.00 72.51 H new ATOM 0 HG2 GLU A 15 -10.013 6.146 -7.669 1.00 71.25 H new ATOM 0 HG3 GLU A 15 -10.200 7.685 -8.486 1.00 71.25 H new ATOM 223 N SER A 16 -8.810 3.477 -11.146 1.00 20.33 N ATOM 224 CA SER A 16 -8.212 2.822 -12.307 1.00 11.13 C ATOM 225 C SER A 16 -8.458 1.300 -12.314 1.00 53.03 C ATOM 226 O SER A 16 -7.986 0.609 -13.217 1.00 12.00 O ATOM 227 CB SER A 16 -6.713 3.105 -12.365 1.00 11.34 C ATOM 228 OG SER A 16 -6.450 4.492 -12.508 1.00 64.10 O ATOM 0 H SER A 16 -8.179 3.584 -10.352 1.00 20.33 H new ATOM 0 HA SER A 16 -8.697 3.237 -13.190 1.00 11.13 H new ATOM 0 HB2 SER A 16 -6.237 2.735 -11.457 1.00 11.34 H new ATOM 0 HB3 SER A 16 -6.271 2.562 -13.201 1.00 11.34 H new ATOM 0 HG SER A 16 -5.709 4.621 -13.136 1.00 64.10 H new ATOM 234 N GLY A 17 -9.204 0.787 -11.319 1.00 21.12 N ATOM 235 CA GLY A 17 -9.550 -0.626 -11.276 1.00 34.44 C ATOM 236 C GLY A 17 -8.442 -1.493 -10.722 1.00 51.31 C ATOM 237 O GLY A 17 -8.105 -2.515 -11.305 1.00 12.54 O ATOM 0 H GLY A 17 -9.573 1.335 -10.542 1.00 21.12 H new ATOM 0 HA2 GLY A 17 -10.444 -0.756 -10.666 1.00 34.44 H new ATOM 0 HA3 GLY A 17 -9.798 -0.964 -12.282 1.00 34.44 H new ATOM 241 N TRP A 18 -7.854 -1.062 -9.615 1.00 45.23 N ATOM 242 CA TRP A 18 -6.808 -1.825 -8.947 1.00 52.23 C ATOM 243 C TRP A 18 -7.105 -1.890 -7.442 1.00 60.04 C ATOM 244 O TRP A 18 -7.361 -0.863 -6.813 1.00 24.23 O ATOM 245 CB TRP A 18 -5.417 -1.185 -9.155 1.00 55.11 C ATOM 246 CG TRP A 18 -4.871 -1.179 -10.572 1.00 13.00 C ATOM 247 CD1 TRP A 18 -5.261 -0.376 -11.611 1.00 41.33 C ATOM 248 CD2 TRP A 18 -3.777 -1.959 -11.077 1.00 23.22 C ATOM 249 NE1 TRP A 18 -4.486 -0.613 -12.718 1.00 12.44 N ATOM 250 CE2 TRP A 18 -3.569 -1.573 -12.418 1.00 63.45 C ATOM 251 CE3 TRP A 18 -2.946 -2.937 -10.530 1.00 0.51 C ATOM 252 CZ2 TRP A 18 -2.575 -2.133 -13.210 1.00 52.21 C ATOM 253 CZ3 TRP A 18 -1.960 -3.491 -11.319 1.00 74.21 C ATOM 254 CH2 TRP A 18 -1.777 -3.079 -12.643 1.00 5.33 C ATOM 0 H TRP A 18 -8.086 -0.181 -9.157 1.00 45.23 H new ATOM 0 HA TRP A 18 -6.795 -2.825 -9.379 1.00 52.23 H new ATOM 0 HB2 TRP A 18 -5.461 -0.154 -8.804 1.00 55.11 H new ATOM 0 HB3 TRP A 18 -4.704 -1.708 -8.518 1.00 55.11 H new ATOM 0 HD1 TRP A 18 -6.066 0.343 -11.565 1.00 41.33 H new ATOM 0 HE1 TRP A 18 -4.582 -0.146 -13.620 1.00 12.44 H new ATOM 0 HE3 TRP A 18 -3.073 -3.255 -9.506 1.00 0.51 H new ATOM 0 HZ2 TRP A 18 -2.440 -1.829 -14.238 1.00 52.21 H new ATOM 0 HZ3 TRP A 18 -1.318 -4.256 -10.908 1.00 74.21 H new ATOM 0 HH2 TRP A 18 -0.985 -3.521 -13.229 1.00 5.33 H new ATOM 265 N LYS A 19 -7.128 -3.095 -6.883 1.00 22.01 N ATOM 266 CA LYS A 19 -7.153 -3.291 -5.440 1.00 0.43 C ATOM 267 C LYS A 19 -5.761 -3.121 -4.875 1.00 42.52 C ATOM 268 O LYS A 19 -4.926 -4.004 -5.036 1.00 31.21 O ATOM 269 CB LYS A 19 -7.625 -4.698 -5.102 1.00 21.45 C ATOM 270 CG LYS A 19 -9.065 -4.806 -4.679 1.00 64.22 C ATOM 271 CD LYS A 19 -9.390 -6.233 -4.291 1.00 61.20 C ATOM 272 CE LYS A 19 -10.851 -6.370 -3.952 1.00 64.32 C ATOM 273 NZ LYS A 19 -11.180 -7.713 -3.422 1.00 5.15 N ATOM 0 H LYS A 19 -7.130 -3.963 -7.419 1.00 22.01 H new ATOM 0 HA LYS A 19 -7.834 -2.556 -5.011 1.00 0.43 H new ATOM 0 HB2 LYS A 19 -7.470 -5.335 -5.973 1.00 21.45 H new ATOM 0 HB3 LYS A 19 -6.998 -5.092 -4.303 1.00 21.45 H new ATOM 0 HG2 LYS A 19 -9.255 -4.140 -3.837 1.00 64.22 H new ATOM 0 HG3 LYS A 19 -9.716 -4.485 -5.493 1.00 64.22 H new ATOM 0 HD2 LYS A 19 -9.137 -6.905 -5.111 1.00 61.20 H new ATOM 0 HD3 LYS A 19 -8.783 -6.530 -3.436 1.00 61.20 H new ATOM 0 HE2 LYS A 19 -11.123 -5.614 -3.215 1.00 64.32 H new ATOM 0 HE3 LYS A 19 -11.448 -6.177 -4.843 1.00 64.32 H new ATOM 0 HZ1 LYS A 19 -12.031 -7.653 -2.827 1.00 5.15 H new ATOM 0 HZ2 LYS A 19 -11.356 -8.365 -4.213 1.00 5.15 H new ATOM 0 HZ3 LYS A 19 -10.384 -8.066 -2.853 1.00 5.15 H new ATOM 287 N ASP A 20 -5.511 -2.001 -4.225 1.00 64.42 N ATOM 288 CA ASP A 20 -4.195 -1.731 -3.669 1.00 53.11 C ATOM 289 C ASP A 20 -3.904 -2.626 -2.483 1.00 74.33 C ATOM 290 O ASP A 20 -4.692 -2.713 -1.540 1.00 4.20 O ATOM 291 CB ASP A 20 -4.087 -0.277 -3.260 1.00 15.53 C ATOM 292 CG ASP A 20 -4.167 0.643 -4.455 1.00 34.43 C ATOM 293 OD1 ASP A 20 -3.260 0.573 -5.309 1.00 63.41 O ATOM 294 OD2 ASP A 20 -5.150 1.409 -4.552 1.00 70.44 O ATOM 0 H ASP A 20 -6.198 -1.264 -4.068 1.00 64.42 H new ATOM 0 HA ASP A 20 -3.456 -1.942 -4.442 1.00 53.11 H new ATOM 0 HB2 ASP A 20 -4.886 -0.035 -2.559 1.00 15.53 H new ATOM 0 HB3 ASP A 20 -3.145 -0.114 -2.737 1.00 15.53 H new ATOM 299 N THR A 21 -2.770 -3.296 -2.545 1.00 45.44 N ATOM 300 CA THR A 21 -2.385 -4.227 -1.509 1.00 52.41 C ATOM 301 C THR A 21 -1.047 -3.809 -0.935 1.00 32.04 C ATOM 302 O THR A 21 -0.132 -3.414 -1.661 1.00 15.43 O ATOM 303 CB THR A 21 -2.312 -5.701 -2.006 1.00 54.45 C ATOM 304 OG1 THR A 21 -1.278 -5.860 -2.963 1.00 73.23 O ATOM 305 CG2 THR A 21 -3.618 -6.150 -2.635 1.00 3.55 C ATOM 0 H THR A 21 -2.098 -3.210 -3.307 1.00 45.44 H new ATOM 0 HA THR A 21 -3.159 -4.196 -0.742 1.00 52.41 H new ATOM 0 HB THR A 21 -2.109 -6.315 -1.128 1.00 54.45 H new ATOM 0 HG1 THR A 21 -1.043 -6.809 -3.036 1.00 73.23 H new ATOM 0 HG21 THR A 21 -3.525 -7.184 -2.968 1.00 3.55 H new ATOM 0 HG22 THR A 21 -4.420 -6.077 -1.900 1.00 3.55 H new ATOM 0 HG23 THR A 21 -3.849 -5.513 -3.489 1.00 3.55 H new ATOM 313 N VAL A 22 -0.931 -3.886 0.366 1.00 73.44 N ATOM 314 CA VAL A 22 0.277 -3.427 1.026 1.00 51.13 C ATOM 315 C VAL A 22 0.954 -4.601 1.716 1.00 55.32 C ATOM 316 O VAL A 22 0.424 -5.175 2.672 1.00 20.23 O ATOM 317 CB VAL A 22 0.007 -2.252 2.014 1.00 44.12 C ATOM 318 CG1 VAL A 22 1.284 -1.815 2.716 1.00 11.14 C ATOM 319 CG2 VAL A 22 -0.598 -1.057 1.281 1.00 34.40 C ATOM 0 H VAL A 22 -1.648 -4.258 0.990 1.00 73.44 H new ATOM 0 HA VAL A 22 0.949 -3.026 0.267 1.00 51.13 H new ATOM 0 HB VAL A 22 -0.699 -2.614 2.761 1.00 44.12 H new ATOM 0 HG11 VAL A 22 1.062 -0.994 3.398 1.00 11.14 H new ATOM 0 HG12 VAL A 22 1.695 -2.653 3.279 1.00 11.14 H new ATOM 0 HG13 VAL A 22 2.012 -1.484 1.975 1.00 11.14 H new ATOM 0 HG21 VAL A 22 -0.778 -0.249 1.990 1.00 34.40 H new ATOM 0 HG22 VAL A 22 0.092 -0.716 0.509 1.00 34.40 H new ATOM 0 HG23 VAL A 22 -1.541 -1.352 0.820 1.00 34.40 H new ATOM 329 N THR A 23 2.107 -4.968 1.176 1.00 14.33 N ATOM 330 CA THR A 23 2.873 -6.081 1.680 1.00 0.14 C ATOM 331 C THR A 23 3.925 -5.585 2.670 1.00 32.33 C ATOM 332 O THR A 23 4.809 -4.823 2.323 1.00 22.21 O ATOM 333 CB THR A 23 3.544 -6.862 0.534 1.00 63.24 C ATOM 334 OG1 THR A 23 2.606 -7.086 -0.532 1.00 24.44 O ATOM 335 CG2 THR A 23 4.055 -8.199 1.034 1.00 43.11 C ATOM 0 H THR A 23 2.531 -4.498 0.376 1.00 14.33 H new ATOM 0 HA THR A 23 2.191 -6.759 2.192 1.00 0.14 H new ATOM 0 HB THR A 23 4.381 -6.270 0.164 1.00 63.24 H new ATOM 0 HG1 THR A 23 3.092 -7.290 -1.358 1.00 24.44 H new ATOM 0 HG21 THR A 23 4.526 -8.739 0.213 1.00 43.11 H new ATOM 0 HG22 THR A 23 4.785 -8.036 1.827 1.00 43.11 H new ATOM 0 HG23 THR A 23 3.222 -8.785 1.422 1.00 43.11 H new ATOM 343 N ILE A 24 3.798 -6.027 3.896 1.00 40.41 N ATOM 344 CA ILE A 24 4.640 -5.598 4.994 1.00 41.42 C ATOM 345 C ILE A 24 5.586 -6.728 5.406 1.00 24.50 C ATOM 346 O ILE A 24 5.134 -7.812 5.767 1.00 61.21 O ATOM 347 CB ILE A 24 3.734 -5.175 6.198 1.00 44.10 C ATOM 348 CG1 ILE A 24 2.864 -3.963 5.823 1.00 33.22 C ATOM 349 CG2 ILE A 24 4.532 -4.893 7.470 1.00 71.15 C ATOM 350 CD1 ILE A 24 3.641 -2.682 5.555 1.00 72.12 C ATOM 0 H ILE A 24 3.092 -6.711 4.169 1.00 40.41 H new ATOM 0 HA ILE A 24 5.244 -4.746 4.681 1.00 41.42 H new ATOM 0 HB ILE A 24 3.086 -6.024 6.416 1.00 44.10 H new ATOM 0 HG12 ILE A 24 2.282 -4.211 4.936 1.00 33.22 H new ATOM 0 HG13 ILE A 24 2.154 -3.779 6.629 1.00 33.22 H new ATOM 0 HG21 ILE A 24 3.851 -4.604 8.270 1.00 71.15 H new ATOM 0 HG22 ILE A 24 5.078 -5.790 7.764 1.00 71.15 H new ATOM 0 HG23 ILE A 24 5.238 -4.083 7.285 1.00 71.15 H new ATOM 0 HD11 ILE A 24 2.946 -1.882 5.298 1.00 72.12 H new ATOM 0 HD12 ILE A 24 4.202 -2.403 6.447 1.00 72.12 H new ATOM 0 HD13 ILE A 24 4.332 -2.842 4.727 1.00 72.12 H new ATOM 362 N GLU A 25 6.888 -6.476 5.363 1.00 52.44 N ATOM 363 CA GLU A 25 7.836 -7.399 5.963 1.00 43.01 C ATOM 364 C GLU A 25 8.136 -6.940 7.379 1.00 62.15 C ATOM 365 O GLU A 25 8.637 -5.835 7.614 1.00 41.42 O ATOM 366 CB GLU A 25 9.151 -7.581 5.155 1.00 40.03 C ATOM 367 CG GLU A 25 10.311 -8.088 6.031 1.00 55.43 C ATOM 368 CD GLU A 25 11.518 -8.625 5.303 1.00 24.35 C ATOM 369 OE1 GLU A 25 12.341 -7.828 4.808 1.00 15.31 O ATOM 370 OE2 GLU A 25 11.677 -9.857 5.285 1.00 71.34 O ATOM 0 H GLU A 25 7.304 -5.654 4.926 1.00 52.44 H new ATOM 0 HA GLU A 25 7.367 -8.383 5.963 1.00 43.01 H new ATOM 0 HB2 GLU A 25 8.980 -8.285 4.340 1.00 40.03 H new ATOM 0 HB3 GLU A 25 9.430 -6.630 4.701 1.00 40.03 H new ATOM 0 HG2 GLU A 25 10.636 -7.270 6.674 1.00 55.43 H new ATOM 0 HG3 GLU A 25 9.928 -8.873 6.683 1.00 55.43 H new ATOM 377 N VAL A 26 7.784 -7.803 8.307 1.00 23.12 N ATOM 378 CA VAL A 26 8.135 -7.626 9.689 1.00 44.22 C ATOM 379 C VAL A 26 9.295 -8.557 10.003 1.00 42.55 C ATOM 380 O VAL A 26 9.183 -9.773 9.910 1.00 45.02 O ATOM 381 CB VAL A 26 6.929 -7.903 10.620 1.00 52.21 C ATOM 382 CG1 VAL A 26 7.278 -7.675 12.074 1.00 44.35 C ATOM 383 CG2 VAL A 26 5.753 -7.032 10.240 1.00 74.35 C ATOM 0 H VAL A 26 7.245 -8.648 8.118 1.00 23.12 H new ATOM 0 HA VAL A 26 8.429 -6.591 9.863 1.00 44.22 H new ATOM 0 HB VAL A 26 6.661 -8.952 10.494 1.00 52.21 H new ATOM 0 HG11 VAL A 26 6.405 -7.880 12.694 1.00 44.35 H new ATOM 0 HG12 VAL A 26 8.092 -8.341 12.362 1.00 44.35 H new ATOM 0 HG13 VAL A 26 7.589 -6.640 12.216 1.00 44.35 H new ATOM 0 HG21 VAL A 26 4.915 -7.241 10.905 1.00 74.35 H new ATOM 0 HG22 VAL A 26 6.034 -5.983 10.329 1.00 74.35 H new ATOM 0 HG23 VAL A 26 5.461 -7.244 9.211 1.00 74.35 H new ATOM 393 N LYS A 27 10.415 -7.967 10.331 1.00 1.34 N ATOM 394 CA LYS A 27 11.592 -8.708 10.681 1.00 41.30 C ATOM 395 C LYS A 27 11.862 -8.512 12.153 1.00 35.12 C ATOM 396 O LYS A 27 11.980 -7.372 12.613 1.00 40.44 O ATOM 397 CB LYS A 27 12.758 -8.257 9.821 1.00 52.13 C ATOM 398 CG LYS A 27 14.062 -8.997 10.058 1.00 3.14 C ATOM 399 CD LYS A 27 15.068 -8.652 8.976 1.00 32.21 C ATOM 400 CE LYS A 27 14.657 -9.261 7.643 1.00 1.13 C ATOM 401 NZ LYS A 27 15.195 -8.513 6.483 1.00 61.42 N ATOM 0 H LYS A 27 10.534 -6.954 10.362 1.00 1.34 H new ATOM 0 HA LYS A 27 11.449 -9.773 10.495 1.00 41.30 H new ATOM 0 HB2 LYS A 27 12.480 -8.370 8.773 1.00 52.13 H new ATOM 0 HB3 LYS A 27 12.926 -7.194 9.994 1.00 52.13 H new ATOM 0 HG2 LYS A 27 14.465 -8.733 11.036 1.00 3.14 H new ATOM 0 HG3 LYS A 27 13.882 -10.072 10.067 1.00 3.14 H new ATOM 0 HD2 LYS A 27 15.146 -7.569 8.878 1.00 32.21 H new ATOM 0 HD3 LYS A 27 16.054 -9.019 9.260 1.00 32.21 H new ATOM 0 HE2 LYS A 27 15.004 -10.293 7.597 1.00 1.13 H new ATOM 0 HE3 LYS A 27 13.569 -9.288 7.580 1.00 1.13 H new ATOM 0 HZ1 LYS A 27 14.410 -8.210 5.871 1.00 61.42 H new ATOM 0 HZ2 LYS A 27 15.714 -7.677 6.820 1.00 61.42 H new ATOM 0 HZ3 LYS A 27 15.838 -9.126 5.943 1.00 61.42 H new ATOM 415 N ASN A 28 11.899 -9.651 12.859 1.00 43.30 N ATOM 416 CA ASN A 28 11.995 -9.761 14.322 1.00 71.24 C ATOM 417 C ASN A 28 10.661 -9.402 14.975 1.00 11.14 C ATOM 418 O ASN A 28 9.981 -10.251 15.556 1.00 5.54 O ATOM 419 CB ASN A 28 13.147 -8.918 14.904 1.00 65.12 C ATOM 420 CG ASN A 28 14.520 -9.497 14.607 1.00 75.11 C ATOM 421 OD1 ASN A 28 15.024 -10.348 15.336 1.00 4.24 O ATOM 422 ND2 ASN A 28 15.160 -9.010 13.558 1.00 63.31 N ATOM 0 H ASN A 28 11.861 -10.563 12.405 1.00 43.30 H new ATOM 0 HA ASN A 28 12.227 -10.801 14.553 1.00 71.24 H new ATOM 0 HB2 ASN A 28 13.090 -7.908 14.499 1.00 65.12 H new ATOM 0 HB3 ASN A 28 13.020 -8.836 15.983 1.00 65.12 H new ATOM 0 HD21 ASN A 28 16.099 -9.340 13.335 1.00 63.31 H new ATOM 0 HD22 ASN A 28 14.715 -8.304 12.972 1.00 63.31 H new ATOM 429 N GLY A 29 10.295 -8.154 14.826 1.00 61.24 N ATOM 430 CA GLY A 29 9.055 -7.619 15.363 1.00 62.33 C ATOM 431 C GLY A 29 8.777 -6.207 14.861 1.00 71.02 C ATOM 432 O GLY A 29 7.780 -5.596 15.242 1.00 44.42 O ATOM 0 H GLY A 29 10.854 -7.465 14.322 1.00 61.24 H new ATOM 0 HA2 GLY A 29 8.228 -8.272 15.085 1.00 62.33 H new ATOM 0 HA3 GLY A 29 9.104 -7.613 16.452 1.00 62.33 H new ATOM 436 N LYS A 30 9.636 -5.711 13.965 1.00 21.21 N ATOM 437 CA LYS A 30 9.520 -4.355 13.433 1.00 64.53 C ATOM 438 C LYS A 30 9.467 -4.388 11.905 1.00 73.51 C ATOM 439 O LYS A 30 9.948 -5.333 11.295 1.00 44.11 O ATOM 440 CB LYS A 30 10.704 -3.506 13.923 1.00 71.03 C ATOM 441 CG LYS A 30 12.075 -4.055 13.523 1.00 71.34 C ATOM 442 CD LYS A 30 13.219 -3.248 14.114 1.00 42.43 C ATOM 443 CE LYS A 30 13.285 -3.393 15.625 1.00 31.54 C ATOM 444 NZ LYS A 30 14.326 -2.525 16.226 1.00 51.44 N ATOM 0 H LYS A 30 10.426 -6.237 13.592 1.00 21.21 H new ATOM 0 HA LYS A 30 8.595 -3.904 13.792 1.00 64.53 H new ATOM 0 HB2 LYS A 30 10.600 -2.495 13.528 1.00 71.03 H new ATOM 0 HB3 LYS A 30 10.658 -3.430 15.009 1.00 71.03 H new ATOM 0 HG2 LYS A 30 12.158 -5.091 13.851 1.00 71.34 H new ATOM 0 HG3 LYS A 30 12.159 -4.057 12.436 1.00 71.34 H new ATOM 0 HD2 LYS A 30 14.161 -3.576 13.675 1.00 42.43 H new ATOM 0 HD3 LYS A 30 13.096 -2.197 13.854 1.00 42.43 H new ATOM 0 HE2 LYS A 30 12.315 -3.145 16.055 1.00 31.54 H new ATOM 0 HE3 LYS A 30 13.490 -4.433 15.880 1.00 31.54 H new ATOM 0 HZ1 LYS A 30 14.335 -2.657 17.258 1.00 51.44 H new ATOM 0 HZ2 LYS A 30 15.256 -2.778 15.836 1.00 51.44 H new ATOM 0 HZ3 LYS A 30 14.118 -1.530 16.006 1.00 51.44 H new ATOM 458 N ILE A 31 8.885 -3.366 11.288 1.00 35.11 N ATOM 459 CA ILE A 31 8.773 -3.332 9.829 1.00 45.45 C ATOM 460 C ILE A 31 10.069 -2.823 9.217 1.00 23.14 C ATOM 461 O ILE A 31 10.399 -1.657 9.344 1.00 13.41 O ATOM 462 CB ILE A 31 7.629 -2.414 9.346 1.00 25.31 C ATOM 463 CG1 ILE A 31 6.327 -2.702 10.099 1.00 35.42 C ATOM 464 CG2 ILE A 31 7.421 -2.589 7.842 1.00 54.51 C ATOM 465 CD1 ILE A 31 5.265 -1.650 9.872 1.00 43.11 C ATOM 0 H ILE A 31 8.487 -2.557 11.766 1.00 35.11 H new ATOM 0 HA ILE A 31 8.561 -4.353 9.512 1.00 45.45 H new ATOM 0 HB ILE A 31 7.912 -1.382 9.553 1.00 25.31 H new ATOM 0 HG12 ILE A 31 5.941 -3.672 9.787 1.00 35.42 H new ATOM 0 HG13 ILE A 31 6.539 -2.771 11.166 1.00 35.42 H new ATOM 0 HG21 ILE A 31 6.613 -1.938 7.508 1.00 54.51 H new ATOM 0 HG22 ILE A 31 8.338 -2.327 7.315 1.00 54.51 H new ATOM 0 HG23 ILE A 31 7.163 -3.626 7.629 1.00 54.51 H new ATOM 0 HD11 ILE A 31 4.368 -1.912 10.432 1.00 43.11 H new ATOM 0 HD12 ILE A 31 5.634 -0.682 10.210 1.00 43.11 H new ATOM 0 HD13 ILE A 31 5.027 -1.597 8.810 1.00 43.11 H new ATOM 477 N VAL A 32 10.786 -3.681 8.523 1.00 3.13 N ATOM 478 CA VAL A 32 12.033 -3.260 7.901 1.00 14.31 C ATOM 479 C VAL A 32 11.842 -3.015 6.404 1.00 50.31 C ATOM 480 O VAL A 32 12.595 -2.252 5.801 1.00 32.43 O ATOM 481 CB VAL A 32 13.197 -4.264 8.146 1.00 34.53 C ATOM 482 CG1 VAL A 32 13.454 -4.446 9.640 1.00 24.43 C ATOM 483 CG2 VAL A 32 12.939 -5.613 7.484 1.00 60.34 C ATOM 0 H VAL A 32 10.537 -4.659 8.374 1.00 3.13 H new ATOM 0 HA VAL A 32 12.316 -2.322 8.379 1.00 14.31 H new ATOM 0 HB VAL A 32 14.088 -3.837 7.686 1.00 34.53 H new ATOM 0 HG11 VAL A 32 14.272 -5.152 9.785 1.00 24.43 H new ATOM 0 HG12 VAL A 32 13.720 -3.486 10.083 1.00 24.43 H new ATOM 0 HG13 VAL A 32 12.554 -4.830 10.120 1.00 24.43 H new ATOM 0 HG21 VAL A 32 13.777 -6.281 7.681 1.00 60.34 H new ATOM 0 HG22 VAL A 32 12.025 -6.048 7.888 1.00 60.34 H new ATOM 0 HG23 VAL A 32 12.830 -5.475 6.408 1.00 60.34 H new ATOM 493 N SER A 33 10.806 -3.624 5.821 1.00 14.42 N ATOM 494 CA SER A 33 10.630 -3.608 4.375 1.00 64.34 C ATOM 495 C SER A 33 9.154 -3.544 4.016 1.00 43.12 C ATOM 496 O SER A 33 8.292 -3.907 4.817 1.00 24.32 O ATOM 497 CB SER A 33 11.252 -4.855 3.732 1.00 13.30 C ATOM 498 OG SER A 33 12.647 -4.954 3.978 1.00 44.32 O ATOM 0 H SER A 33 10.082 -4.131 6.330 1.00 14.42 H new ATOM 0 HA SER A 33 11.135 -2.721 3.992 1.00 64.34 H new ATOM 0 HB2 SER A 33 10.754 -5.745 4.117 1.00 13.30 H new ATOM 0 HB3 SER A 33 11.077 -4.831 2.656 1.00 13.30 H new ATOM 0 HG SER A 33 12.863 -5.863 4.274 1.00 44.32 H new ATOM 504 N VAL A 34 8.878 -3.082 2.806 1.00 25.12 N ATOM 505 CA VAL A 34 7.518 -2.979 2.299 1.00 14.22 C ATOM 506 C VAL A 34 7.526 -3.143 0.766 1.00 34.53 C ATOM 507 O VAL A 34 8.453 -2.703 0.084 1.00 72.05 O ATOM 508 CB VAL A 34 6.848 -1.638 2.757 1.00 40.32 C ATOM 509 CG1 VAL A 34 7.643 -0.439 2.293 1.00 3.13 C ATOM 510 CG2 VAL A 34 5.398 -1.518 2.295 1.00 3.41 C ATOM 0 H VAL A 34 9.591 -2.768 2.148 1.00 25.12 H new ATOM 0 HA VAL A 34 6.911 -3.782 2.718 1.00 14.22 H new ATOM 0 HB VAL A 34 6.844 -1.658 3.847 1.00 40.32 H new ATOM 0 HG11 VAL A 34 7.152 0.475 2.627 1.00 3.13 H new ATOM 0 HG12 VAL A 34 8.648 -0.484 2.712 1.00 3.13 H new ATOM 0 HG13 VAL A 34 7.703 -0.442 1.205 1.00 3.13 H new ATOM 0 HG21 VAL A 34 4.983 -0.571 2.640 1.00 3.41 H new ATOM 0 HG22 VAL A 34 5.359 -1.557 1.206 1.00 3.41 H new ATOM 0 HG23 VAL A 34 4.815 -2.341 2.708 1.00 3.41 H new ATOM 520 N ASP A 35 6.520 -3.821 0.251 1.00 15.52 N ATOM 521 CA ASP A 35 6.424 -4.122 -1.167 1.00 62.45 C ATOM 522 C ASP A 35 5.085 -3.627 -1.700 1.00 72.35 C ATOM 523 O ASP A 35 4.054 -3.756 -1.026 1.00 61.10 O ATOM 524 CB ASP A 35 6.579 -5.637 -1.373 1.00 52.12 C ATOM 525 CG ASP A 35 6.995 -6.028 -2.778 1.00 71.20 C ATOM 526 OD1 ASP A 35 6.130 -6.103 -3.667 1.00 3.11 O ATOM 527 OD2 ASP A 35 8.195 -6.306 -2.982 1.00 51.11 O ATOM 0 H ASP A 35 5.742 -4.181 0.804 1.00 15.52 H new ATOM 0 HA ASP A 35 7.218 -3.616 -1.716 1.00 62.45 H new ATOM 0 HB2 ASP A 35 7.318 -6.016 -0.667 1.00 52.12 H new ATOM 0 HB3 ASP A 35 5.633 -6.124 -1.136 1.00 52.12 H new ATOM 532 N TRP A 36 5.106 -3.037 -2.892 1.00 12.44 N ATOM 533 CA TRP A 36 3.906 -2.444 -3.468 1.00 42.30 C ATOM 534 C TRP A 36 3.298 -3.378 -4.504 1.00 32.30 C ATOM 535 O TRP A 36 3.851 -3.559 -5.592 1.00 32.35 O ATOM 536 CB TRP A 36 4.186 -1.106 -4.165 1.00 62.11 C ATOM 537 CG TRP A 36 5.232 -0.222 -3.546 1.00 73.54 C ATOM 538 CD1 TRP A 36 5.292 0.240 -2.261 1.00 74.40 C ATOM 539 CD2 TRP A 36 6.354 0.349 -4.232 1.00 44.13 C ATOM 540 NE1 TRP A 36 6.401 1.034 -2.103 1.00 43.44 N ATOM 541 CE2 TRP A 36 7.067 1.118 -3.300 1.00 71.21 C ATOM 542 CE3 TRP A 36 6.831 0.270 -5.546 1.00 45.34 C ATOM 543 CZ2 TRP A 36 8.230 1.810 -3.639 1.00 53.04 C ATOM 544 CZ3 TRP A 36 7.982 0.959 -5.880 1.00 14.35 C ATOM 545 CH2 TRP A 36 8.671 1.718 -4.930 1.00 2.34 C ATOM 0 H TRP A 36 5.939 -2.958 -3.475 1.00 12.44 H new ATOM 0 HA TRP A 36 3.223 -2.276 -2.635 1.00 42.30 H new ATOM 0 HB2 TRP A 36 4.483 -1.315 -5.193 1.00 62.11 H new ATOM 0 HB3 TRP A 36 3.252 -0.546 -4.211 1.00 62.11 H new ATOM 0 HD1 TRP A 36 4.575 0.014 -1.486 1.00 74.40 H new ATOM 0 HE1 TRP A 36 6.684 1.489 -1.235 1.00 43.44 H new ATOM 0 HE3 TRP A 36 6.309 -0.319 -6.286 1.00 45.34 H new ATOM 0 HZ2 TRP A 36 8.764 2.398 -2.907 1.00 53.04 H new ATOM 0 HZ3 TRP A 36 8.355 0.910 -6.892 1.00 14.35 H new ATOM 0 HH2 TRP A 36 9.569 2.242 -5.221 1.00 2.34 H new ATOM 556 N ASN A 37 2.171 -3.971 -4.161 1.00 23.05 N ATOM 557 CA ASN A 37 1.429 -4.812 -5.096 1.00 51.00 C ATOM 558 C ASN A 37 0.018 -4.248 -5.265 1.00 53.02 C ATOM 559 O ASN A 37 -0.402 -3.402 -4.479 1.00 71.35 O ATOM 560 CB ASN A 37 1.368 -6.280 -4.619 1.00 71.05 C ATOM 561 CG ASN A 37 2.721 -6.974 -4.509 1.00 42.35 C ATOM 562 OD1 ASN A 37 2.917 -7.820 -3.638 1.00 45.41 O ATOM 563 ND2 ASN A 37 3.659 -6.638 -5.386 1.00 73.11 N ATOM 0 H ASN A 37 1.743 -3.889 -3.239 1.00 23.05 H new ATOM 0 HA ASN A 37 1.948 -4.806 -6.054 1.00 51.00 H new ATOM 0 HB2 ASN A 37 0.880 -6.311 -3.645 1.00 71.05 H new ATOM 0 HB3 ASN A 37 0.741 -6.845 -5.308 1.00 71.05 H new ATOM 0 HD21 ASN A 37 4.575 -7.086 -5.350 1.00 73.11 H new ATOM 0 HD22 ASN A 37 3.464 -5.932 -6.096 1.00 73.11 H new ATOM 570 N ALA A 38 -0.695 -4.690 -6.299 1.00 4.32 N ATOM 571 CA ALA A 38 -2.092 -4.311 -6.514 1.00 62.23 C ATOM 572 C ALA A 38 -2.757 -5.305 -7.455 1.00 60.13 C ATOM 573 O ALA A 38 -2.155 -5.719 -8.438 1.00 5.30 O ATOM 574 CB ALA A 38 -2.204 -2.893 -7.073 1.00 2.20 C ATOM 0 H ALA A 38 -0.323 -5.319 -7.010 1.00 4.32 H new ATOM 0 HA ALA A 38 -2.603 -4.329 -5.551 1.00 62.23 H new ATOM 0 HB1 ALA A 38 -3.254 -2.642 -7.221 1.00 2.20 H new ATOM 0 HB2 ALA A 38 -1.759 -2.189 -6.370 1.00 2.20 H new ATOM 0 HB3 ALA A 38 -1.679 -2.835 -8.027 1.00 2.20 H new ATOM 580 N ILE A 39 -4.005 -5.654 -7.170 1.00 71.15 N ATOM 581 CA ILE A 39 -4.715 -6.672 -7.934 1.00 50.45 C ATOM 582 C ILE A 39 -5.623 -5.998 -8.946 1.00 21.41 C ATOM 583 O ILE A 39 -6.540 -5.278 -8.575 1.00 54.35 O ATOM 584 CB ILE A 39 -5.597 -7.585 -7.041 1.00 52.21 C ATOM 585 CG1 ILE A 39 -4.904 -7.925 -5.714 1.00 62.53 C ATOM 586 CG2 ILE A 39 -5.929 -8.865 -7.803 1.00 23.35 C ATOM 587 CD1 ILE A 39 -5.778 -8.680 -4.727 1.00 75.43 C ATOM 0 H ILE A 39 -4.549 -5.244 -6.411 1.00 71.15 H new ATOM 0 HA ILE A 39 -3.958 -7.290 -8.416 1.00 50.45 H new ATOM 0 HB ILE A 39 -6.513 -7.046 -6.801 1.00 52.21 H new ATOM 0 HG12 ILE A 39 -4.016 -8.521 -5.924 1.00 62.53 H new ATOM 0 HG13 ILE A 39 -4.565 -7.000 -5.247 1.00 62.53 H new ATOM 0 HG21 ILE A 39 -6.549 -9.509 -7.179 1.00 23.35 H new ATOM 0 HG22 ILE A 39 -6.470 -8.615 -8.716 1.00 23.35 H new ATOM 0 HG23 ILE A 39 -5.006 -9.386 -8.059 1.00 23.35 H new ATOM 0 HD11 ILE A 39 -5.211 -8.880 -3.818 1.00 75.43 H new ATOM 0 HD12 ILE A 39 -6.654 -8.079 -4.484 1.00 75.43 H new ATOM 0 HD13 ILE A 39 -6.096 -9.623 -5.171 1.00 75.43 H new ATOM 599 N ASN A 40 -5.370 -6.247 -10.220 1.00 4.54 N ATOM 600 CA ASN A 40 -6.127 -5.610 -11.292 1.00 53.21 C ATOM 601 C ASN A 40 -7.526 -6.227 -11.422 1.00 73.21 C ATOM 602 O ASN A 40 -7.691 -7.443 -11.322 1.00 63.34 O ATOM 603 CB ASN A 40 -5.356 -5.743 -12.608 1.00 53.13 C ATOM 604 CG ASN A 40 -5.689 -4.667 -13.632 1.00 1.41 C ATOM 605 OD1 ASN A 40 -6.788 -4.126 -13.688 1.00 2.12 O ATOM 606 ND2 ASN A 40 -4.727 -4.362 -14.466 1.00 40.35 N ATOM 0 H ASN A 40 -4.644 -6.888 -10.541 1.00 4.54 H new ATOM 0 HA ASN A 40 -6.253 -4.554 -11.053 1.00 53.21 H new ATOM 0 HB2 ASN A 40 -4.287 -5.710 -12.396 1.00 53.13 H new ATOM 0 HB3 ASN A 40 -5.565 -6.721 -13.042 1.00 53.13 H new ATOM 0 HD21 ASN A 40 -4.881 -3.657 -15.187 1.00 40.35 H new ATOM 0 HD22 ASN A 40 -3.823 -4.829 -14.395 1.00 40.35 H new ATOM 613 N LYS A 41 -8.519 -5.355 -11.655 1.00 72.04 N ATOM 614 CA LYS A 41 -9.922 -5.741 -11.872 1.00 44.12 C ATOM 615 C LYS A 41 -10.086 -6.489 -13.210 1.00 60.24 C ATOM 616 O LYS A 41 -11.054 -7.232 -13.400 1.00 21.11 O ATOM 617 CB LYS A 41 -10.814 -4.487 -11.848 1.00 62.43 C ATOM 618 CG LYS A 41 -12.303 -4.783 -11.801 1.00 2.25 C ATOM 619 CD LYS A 41 -13.138 -3.545 -12.072 1.00 64.32 C ATOM 620 CE LYS A 41 -14.601 -3.908 -12.272 1.00 64.20 C ATOM 621 NZ LYS A 41 -15.416 -2.731 -12.669 1.00 33.13 N ATOM 0 H LYS A 41 -8.368 -4.347 -11.699 1.00 72.04 H new ATOM 0 HA LYS A 41 -10.226 -6.414 -11.071 1.00 44.12 H new ATOM 0 HB2 LYS A 41 -10.548 -3.882 -10.981 1.00 62.43 H new ATOM 0 HB3 LYS A 41 -10.602 -3.887 -12.733 1.00 62.43 H new ATOM 0 HG2 LYS A 41 -12.543 -5.550 -12.537 1.00 2.25 H new ATOM 0 HG3 LYS A 41 -12.561 -5.187 -10.822 1.00 2.25 H new ATOM 0 HD2 LYS A 41 -13.043 -2.848 -11.239 1.00 64.32 H new ATOM 0 HD3 LYS A 41 -12.762 -3.035 -12.959 1.00 64.32 H new ATOM 0 HE2 LYS A 41 -14.682 -4.680 -13.037 1.00 64.20 H new ATOM 0 HE3 LYS A 41 -14.999 -4.331 -11.350 1.00 64.20 H new ATOM 0 HZ1 LYS A 41 -16.407 -3.021 -12.795 1.00 33.13 H new ATOM 0 HZ2 LYS A 41 -15.360 -2.004 -11.927 1.00 33.13 H new ATOM 0 HZ3 LYS A 41 -15.053 -2.343 -13.563 1.00 33.13 H new ATOM 635 N ASP A 42 -9.113 -6.283 -14.116 1.00 40.12 N ATOM 636 CA ASP A 42 -8.972 -7.035 -15.378 1.00 21.42 C ATOM 637 C ASP A 42 -9.019 -8.558 -15.149 1.00 11.32 C ATOM 638 O ASP A 42 -9.644 -9.292 -15.919 1.00 52.40 O ATOM 639 CB ASP A 42 -7.642 -6.617 -16.052 1.00 60.31 C ATOM 640 CG ASP A 42 -7.243 -7.465 -17.252 1.00 74.14 C ATOM 641 OD1 ASP A 42 -7.722 -7.192 -18.369 1.00 54.14 O ATOM 642 OD2 ASP A 42 -6.436 -8.405 -17.080 1.00 10.42 O ATOM 0 H ASP A 42 -8.389 -5.576 -13.990 1.00 40.12 H new ATOM 0 HA ASP A 42 -9.812 -6.795 -16.030 1.00 21.42 H new ATOM 0 HB2 ASP A 42 -7.722 -5.577 -16.370 1.00 60.31 H new ATOM 0 HB3 ASP A 42 -6.844 -6.663 -15.310 1.00 60.31 H new ATOM 647 N GLY A 43 -8.384 -9.009 -14.070 1.00 42.32 N ATOM 648 CA GLY A 43 -8.426 -10.409 -13.707 1.00 34.30 C ATOM 649 C GLY A 43 -7.212 -11.165 -14.187 1.00 43.10 C ATOM 650 O GLY A 43 -7.302 -12.351 -14.498 1.00 71.13 O ATOM 0 H GLY A 43 -7.838 -8.422 -13.439 1.00 42.32 H new ATOM 0 HA2 GLY A 43 -8.501 -10.498 -12.623 1.00 34.30 H new ATOM 0 HA3 GLY A 43 -9.323 -10.864 -14.127 1.00 34.30 H new ATOM 654 N GLY A 44 -6.085 -10.470 -14.261 1.00 21.40 N ATOM 655 CA GLY A 44 -4.850 -11.096 -14.674 1.00 5.34 C ATOM 656 C GLY A 44 -3.911 -11.313 -13.520 1.00 32.25 C ATOM 657 O GLY A 44 -4.090 -12.243 -12.735 1.00 41.23 O ATOM 0 H GLY A 44 -6.007 -9.477 -14.040 1.00 21.40 H new ATOM 0 HA2 GLY A 44 -5.070 -12.053 -15.146 1.00 5.34 H new ATOM 0 HA3 GLY A 44 -4.363 -10.474 -15.425 1.00 5.34 H new ATOM 661 N ASP A 45 -2.920 -10.442 -13.405 1.00 51.34 N ATOM 662 CA ASP A 45 -1.891 -10.589 -12.379 1.00 71.51 C ATOM 663 C ASP A 45 -1.919 -9.423 -11.396 1.00 12.14 C ATOM 664 O ASP A 45 -2.816 -8.570 -11.434 1.00 63.32 O ATOM 665 CB ASP A 45 -0.495 -10.678 -13.021 1.00 21.42 C ATOM 666 CG ASP A 45 -0.372 -11.769 -14.061 1.00 22.33 C ATOM 667 OD1 ASP A 45 -0.636 -11.489 -15.251 1.00 50.32 O ATOM 668 OD2 ASP A 45 -0.001 -12.903 -13.701 1.00 75.43 O ATOM 0 H ASP A 45 -2.804 -9.627 -14.007 1.00 51.34 H new ATOM 0 HA ASP A 45 -2.101 -11.511 -11.836 1.00 71.51 H new ATOM 0 HB2 ASP A 45 -0.255 -9.720 -13.482 1.00 21.42 H new ATOM 0 HB3 ASP A 45 0.245 -10.849 -12.239 1.00 21.42 H new ATOM 673 N ASP A 46 -0.917 -9.407 -10.523 1.00 44.32 N ATOM 674 CA ASP A 46 -0.713 -8.326 -9.561 1.00 51.13 C ATOM 675 C ASP A 46 0.306 -7.328 -10.104 1.00 51.52 C ATOM 676 O ASP A 46 0.747 -7.471 -11.227 1.00 52.03 O ATOM 677 CB ASP A 46 -0.232 -8.888 -8.221 1.00 4.41 C ATOM 678 CG ASP A 46 -1.318 -9.625 -7.477 1.00 42.05 C ATOM 679 OD1 ASP A 46 -1.547 -10.818 -7.768 1.00 3.41 O ATOM 680 OD2 ASP A 46 -1.943 -9.010 -6.596 1.00 51.22 O ATOM 0 H ASP A 46 -0.218 -10.148 -10.462 1.00 44.32 H new ATOM 0 HA ASP A 46 -1.663 -7.815 -9.405 1.00 51.13 H new ATOM 0 HB2 ASP A 46 0.607 -9.562 -8.394 1.00 4.41 H new ATOM 0 HB3 ASP A 46 0.138 -8.072 -7.601 1.00 4.41 H new ATOM 685 N LYS A 47 0.674 -6.328 -9.293 1.00 2.25 N ATOM 686 CA LYS A 47 1.630 -5.268 -9.688 1.00 64.02 C ATOM 687 C LYS A 47 2.985 -5.827 -10.139 1.00 71.54 C ATOM 688 O LYS A 47 3.507 -5.403 -11.169 1.00 10.33 O ATOM 689 CB LYS A 47 1.821 -4.290 -8.522 1.00 24.10 C ATOM 690 CG LYS A 47 2.748 -3.103 -8.795 1.00 45.04 C ATOM 691 CD LYS A 47 2.215 -2.185 -9.889 1.00 14.11 C ATOM 692 CE LYS A 47 0.919 -1.487 -9.487 1.00 74.14 C ATOM 693 NZ LYS A 47 0.422 -0.621 -10.577 1.00 14.20 N ATOM 0 H LYS A 47 0.321 -6.225 -8.342 1.00 2.25 H new ATOM 0 HA LYS A 47 1.205 -4.749 -10.547 1.00 64.02 H new ATOM 0 HB2 LYS A 47 0.844 -3.905 -8.232 1.00 24.10 H new ATOM 0 HB3 LYS A 47 2.212 -4.843 -7.668 1.00 24.10 H new ATOM 0 HG2 LYS A 47 2.880 -2.530 -7.877 1.00 45.04 H new ATOM 0 HG3 LYS A 47 3.732 -3.473 -9.083 1.00 45.04 H new ATOM 0 HD2 LYS A 47 2.969 -1.435 -10.128 1.00 14.11 H new ATOM 0 HD3 LYS A 47 2.045 -2.766 -10.795 1.00 14.11 H new ATOM 0 HE2 LYS A 47 0.164 -2.232 -9.237 1.00 74.14 H new ATOM 0 HE3 LYS A 47 1.087 -0.889 -8.591 1.00 74.14 H new ATOM 0 HZ1 LYS A 47 -0.598 -0.458 -10.454 1.00 14.20 H new ATOM 0 HZ2 LYS A 47 0.923 0.290 -10.553 1.00 14.20 H new ATOM 0 HZ3 LYS A 47 0.590 -1.084 -11.493 1.00 14.20 H new ATOM 707 N ASP A 48 3.511 -6.796 -9.385 1.00 74.41 N ATOM 708 CA ASP A 48 4.802 -7.422 -9.695 1.00 72.53 C ATOM 709 C ASP A 48 4.752 -8.172 -11.031 1.00 3.42 C ATOM 710 O ASP A 48 5.551 -7.905 -11.928 1.00 60.12 O ATOM 711 CB ASP A 48 5.213 -8.380 -8.561 1.00 14.04 C ATOM 712 CG ASP A 48 6.496 -9.148 -8.861 1.00 74.50 C ATOM 713 OD1 ASP A 48 7.588 -8.565 -8.730 1.00 73.34 O ATOM 714 OD2 ASP A 48 6.409 -10.338 -9.235 1.00 15.03 O ATOM 0 H ASP A 48 3.060 -7.167 -8.549 1.00 74.41 H new ATOM 0 HA ASP A 48 5.547 -6.631 -9.783 1.00 72.53 H new ATOM 0 HB2 ASP A 48 5.345 -7.809 -7.642 1.00 14.04 H new ATOM 0 HB3 ASP A 48 4.405 -9.090 -8.383 1.00 14.04 H new ATOM 719 N THR A 49 3.764 -9.045 -11.177 1.00 5.03 N ATOM 720 CA THR A 49 3.706 -9.967 -12.301 1.00 71.45 C ATOM 721 C THR A 49 3.178 -9.300 -13.583 1.00 53.14 C ATOM 722 O THR A 49 3.526 -9.726 -14.673 1.00 43.41 O ATOM 723 CB THR A 49 2.855 -11.198 -11.952 1.00 22.22 C ATOM 724 OG1 THR A 49 2.853 -11.398 -10.530 1.00 41.12 O ATOM 725 CG2 THR A 49 3.417 -12.442 -12.626 1.00 30.11 C ATOM 0 H THR A 49 2.986 -9.133 -10.524 1.00 5.03 H new ATOM 0 HA THR A 49 4.730 -10.285 -12.500 1.00 71.45 H new ATOM 0 HB THR A 49 1.838 -11.027 -12.306 1.00 22.22 H new ATOM 0 HG1 THR A 49 2.308 -12.183 -10.311 1.00 41.12 H new ATOM 0 HG21 THR A 49 2.802 -13.305 -12.368 1.00 30.11 H new ATOM 0 HG22 THR A 49 3.413 -12.303 -13.707 1.00 30.11 H new ATOM 0 HG23 THR A 49 4.439 -12.610 -12.286 1.00 30.11 H new ATOM 733 N LEU A 50 2.356 -8.253 -13.454 1.00 54.14 N ATOM 734 CA LEU A 50 1.892 -7.479 -14.615 1.00 43.44 C ATOM 735 C LEU A 50 3.009 -6.652 -15.230 1.00 35.44 C ATOM 736 O LEU A 50 2.994 -6.403 -16.426 1.00 14.00 O ATOM 737 CB LEU A 50 0.707 -6.565 -14.291 1.00 35.14 C ATOM 738 CG LEU A 50 -0.655 -7.255 -14.197 1.00 64.13 C ATOM 739 CD1 LEU A 50 -1.732 -6.236 -13.928 1.00 73.25 C ATOM 740 CD2 LEU A 50 -0.975 -8.018 -15.471 1.00 22.21 C ATOM 0 H LEU A 50 1.997 -7.921 -12.559 1.00 54.14 H new ATOM 0 HA LEU A 50 1.557 -8.223 -15.337 1.00 43.44 H new ATOM 0 HB2 LEU A 50 0.906 -6.064 -13.344 1.00 35.14 H new ATOM 0 HB3 LEU A 50 0.649 -5.790 -15.055 1.00 35.14 H new ATOM 0 HG LEU A 50 -0.615 -7.968 -13.374 1.00 64.13 H new ATOM 0 HD11 LEU A 50 -2.698 -6.736 -13.863 1.00 73.25 H new ATOM 0 HD12 LEU A 50 -1.523 -5.726 -12.988 1.00 73.25 H new ATOM 0 HD13 LEU A 50 -1.755 -5.508 -14.739 1.00 73.25 H new ATOM 0 HD21 LEU A 50 -1.949 -8.497 -15.373 1.00 22.21 H new ATOM 0 HD22 LEU A 50 -0.994 -7.327 -16.314 1.00 22.21 H new ATOM 0 HD23 LEU A 50 -0.212 -8.778 -15.641 1.00 22.21 H new ATOM 752 N SER A 51 3.949 -6.192 -14.405 1.00 63.30 N ATOM 753 CA SER A 51 5.143 -5.511 -14.907 1.00 51.13 C ATOM 754 C SER A 51 6.086 -6.496 -15.619 1.00 20.45 C ATOM 755 O SER A 51 6.790 -6.125 -16.557 1.00 10.24 O ATOM 756 CB SER A 51 5.868 -4.812 -13.756 1.00 3.45 C ATOM 757 OG SER A 51 5.016 -3.864 -13.125 1.00 24.21 O ATOM 0 H SER A 51 3.908 -6.278 -13.389 1.00 63.30 H new ATOM 0 HA SER A 51 4.831 -4.764 -15.636 1.00 51.13 H new ATOM 0 HB2 SER A 51 6.200 -5.551 -13.027 1.00 3.45 H new ATOM 0 HB3 SER A 51 6.760 -4.312 -14.132 1.00 3.45 H new ATOM 0 HG SER A 51 4.481 -4.312 -12.436 1.00 24.21 H new ATOM 763 N ARG A 52 6.058 -7.758 -15.182 1.00 63.32 N ATOM 764 CA ARG A 52 6.889 -8.816 -15.759 1.00 1.34 C ATOM 765 C ARG A 52 6.293 -9.379 -17.061 1.00 0.14 C ATOM 766 O ARG A 52 7.029 -9.851 -17.928 1.00 4.22 O ATOM 767 CB ARG A 52 7.063 -9.937 -14.729 1.00 54.40 C ATOM 768 CG ARG A 52 7.946 -9.551 -13.553 1.00 41.44 C ATOM 769 CD ARG A 52 7.780 -10.504 -12.379 1.00 30.23 C ATOM 770 NE ARG A 52 8.057 -11.898 -12.735 1.00 33.21 N ATOM 771 CZ ARG A 52 7.588 -12.954 -12.066 1.00 25.12 C ATOM 772 NH1 ARG A 52 6.830 -12.796 -10.979 1.00 21.42 N ATOM 773 NH2 ARG A 52 7.882 -14.177 -12.488 1.00 54.03 N ATOM 0 H ARG A 52 5.459 -8.074 -14.419 1.00 63.32 H new ATOM 0 HA ARG A 52 7.857 -8.385 -16.012 1.00 1.34 H new ATOM 0 HB2 ARG A 52 6.082 -10.231 -14.355 1.00 54.40 H new ATOM 0 HB3 ARG A 52 7.491 -10.810 -15.223 1.00 54.40 H new ATOM 0 HG2 ARG A 52 8.989 -9.544 -13.870 1.00 41.44 H new ATOM 0 HG3 ARG A 52 7.703 -8.537 -13.234 1.00 41.44 H new ATOM 0 HD2 ARG A 52 8.448 -10.200 -11.573 1.00 30.23 H new ATOM 0 HD3 ARG A 52 6.763 -10.427 -11.996 1.00 30.23 H new ATOM 0 HE ARG A 52 8.647 -12.073 -13.548 1.00 33.21 H new ATOM 0 HH11 ARG A 52 6.601 -11.858 -10.649 1.00 21.42 H new ATOM 0 HH12 ARG A 52 6.479 -13.613 -10.479 1.00 21.42 H new ATOM 0 HH21 ARG A 52 8.462 -14.305 -13.317 1.00 54.03 H new ATOM 0 HH22 ARG A 52 7.528 -14.990 -11.983 1.00 54.03 H new ATOM 787 N ASN A 53 4.965 -9.326 -17.190 1.00 72.41 N ATOM 788 CA ASN A 53 4.270 -9.851 -18.373 1.00 74.43 C ATOM 789 C ASN A 53 3.997 -8.753 -19.401 1.00 60.33 C ATOM 790 O ASN A 53 3.914 -9.027 -20.600 1.00 43.05 O ATOM 791 CB ASN A 53 2.944 -10.529 -17.980 1.00 31.43 C ATOM 792 CG ASN A 53 3.132 -11.789 -17.151 1.00 42.51 C ATOM 793 OD1 ASN A 53 4.138 -12.483 -17.265 1.00 71.44 O ATOM 794 ND2 ASN A 53 2.159 -12.093 -16.313 1.00 2.42 N ATOM 0 H ASN A 53 4.345 -8.923 -16.487 1.00 72.41 H new ATOM 0 HA ASN A 53 4.930 -10.591 -18.825 1.00 74.43 H new ATOM 0 HB2 ASN A 53 2.335 -9.821 -17.418 1.00 31.43 H new ATOM 0 HB3 ASN A 53 2.390 -10.778 -18.885 1.00 31.43 H new ATOM 0 HD21 ASN A 53 2.228 -12.929 -15.733 1.00 2.42 H new ATOM 0 HD22 ASN A 53 1.338 -11.492 -16.246 1.00 2.42 H new ATOM 801 N GLY A 54 3.864 -7.519 -18.926 1.00 11.51 N ATOM 802 CA GLY A 54 3.542 -6.391 -19.790 1.00 2.10 C ATOM 803 C GLY A 54 2.045 -6.230 -20.010 1.00 3.44 C ATOM 804 O GLY A 54 1.611 -5.924 -21.120 1.00 25.32 O ATOM 0 H GLY A 54 3.975 -7.275 -17.942 1.00 11.51 H new ATOM 0 HA2 GLY A 54 3.941 -5.477 -19.351 1.00 2.10 H new ATOM 0 HA3 GLY A 54 4.035 -6.524 -20.753 1.00 2.10 H new ATOM 808 N GLY A 55 1.261 -6.434 -18.951 1.00 32.12 N ATOM 809 CA GLY A 55 -0.187 -6.368 -19.063 1.00 52.11 C ATOM 810 C GLY A 55 -0.793 -5.312 -18.163 1.00 3.33 C ATOM 811 O GLY A 55 -1.803 -5.562 -17.505 1.00 34.24 O ATOM 0 H GLY A 55 1.606 -6.645 -18.014 1.00 32.12 H new ATOM 0 HA2 GLY A 55 -0.458 -6.158 -20.098 1.00 52.11 H new ATOM 0 HA3 GLY A 55 -0.612 -7.340 -18.813 1.00 52.11 H new ATOM 815 N TYR A 56 -0.165 -4.138 -18.129 1.00 44.24 N ATOM 816 CA TYR A 56 -0.639 -3.014 -17.315 1.00 71.24 C ATOM 817 C TYR A 56 -1.869 -2.357 -17.955 1.00 61.23 C ATOM 818 O TYR A 56 -1.760 -1.433 -18.769 1.00 23.30 O ATOM 819 CB TYR A 56 0.494 -1.996 -17.155 1.00 31.33 C ATOM 820 CG TYR A 56 0.352 -1.025 -16.001 1.00 60.50 C ATOM 821 CD1 TYR A 56 -0.527 0.058 -16.053 1.00 32.10 C ATOM 822 CD2 TYR A 56 1.140 -1.169 -14.877 1.00 22.13 C ATOM 823 CE1 TYR A 56 -0.596 0.970 -15.020 1.00 12.25 C ATOM 824 CE2 TYR A 56 1.067 -0.271 -13.839 1.00 43.45 C ATOM 825 CZ TYR A 56 0.204 0.801 -13.913 1.00 23.22 C ATOM 826 OH TYR A 56 0.166 1.720 -12.890 1.00 61.54 O ATOM 0 H TYR A 56 0.682 -3.937 -18.661 1.00 44.24 H new ATOM 0 HA TYR A 56 -0.935 -3.383 -16.333 1.00 71.24 H new ATOM 0 HB2 TYR A 56 1.431 -2.540 -17.034 1.00 31.33 H new ATOM 0 HB3 TYR A 56 0.575 -1.423 -18.079 1.00 31.33 H new ATOM 0 HD1 TYR A 56 -1.164 0.184 -16.916 1.00 32.10 H new ATOM 0 HD2 TYR A 56 1.825 -2.001 -14.812 1.00 22.13 H new ATOM 0 HE1 TYR A 56 -1.272 1.810 -15.080 1.00 12.25 H new ATOM 0 HE2 TYR A 56 1.686 -0.406 -12.965 1.00 43.45 H new ATOM 0 HH TYR A 56 -0.511 1.452 -12.234 1.00 61.54 H new ATOM 836 N LYS A 57 -3.037 -2.884 -17.630 1.00 13.05 N ATOM 837 CA LYS A 57 -4.278 -2.375 -18.173 1.00 34.20 C ATOM 838 C LYS A 57 -5.109 -1.712 -17.089 1.00 14.04 C ATOM 839 O LYS A 57 -5.766 -2.388 -16.302 1.00 22.31 O ATOM 840 CB LYS A 57 -5.068 -3.525 -18.816 1.00 33.22 C ATOM 841 CG LYS A 57 -4.275 -4.307 -19.850 1.00 31.23 C ATOM 842 CD LYS A 57 -4.981 -5.589 -20.241 1.00 53.14 C ATOM 843 CE LYS A 57 -4.111 -6.450 -21.137 1.00 65.10 C ATOM 844 NZ LYS A 57 -4.835 -7.654 -21.609 1.00 13.31 N ATOM 0 H LYS A 57 -3.149 -3.669 -16.988 1.00 13.05 H new ATOM 0 HA LYS A 57 -4.048 -1.626 -18.930 1.00 34.20 H new ATOM 0 HB2 LYS A 57 -5.401 -4.207 -18.034 1.00 33.22 H new ATOM 0 HB3 LYS A 57 -5.963 -3.120 -19.288 1.00 33.22 H new ATOM 0 HG2 LYS A 57 -4.123 -3.690 -20.736 1.00 31.23 H new ATOM 0 HG3 LYS A 57 -3.288 -4.541 -19.451 1.00 31.23 H new ATOM 0 HD2 LYS A 57 -5.247 -6.148 -19.344 1.00 53.14 H new ATOM 0 HD3 LYS A 57 -5.912 -5.351 -20.756 1.00 53.14 H new ATOM 0 HE2 LYS A 57 -3.780 -5.864 -21.995 1.00 65.10 H new ATOM 0 HE3 LYS A 57 -3.216 -6.753 -20.593 1.00 65.10 H new ATOM 0 HZ1 LYS A 57 -4.209 -8.218 -22.219 1.00 13.31 H new ATOM 0 HZ2 LYS A 57 -5.129 -8.225 -20.791 1.00 13.31 H new ATOM 0 HZ3 LYS A 57 -5.675 -7.364 -22.149 1.00 13.31 H new ATOM 858 N MET A 58 -5.038 -0.390 -17.017 1.00 4.53 N ATOM 859 CA MET A 58 -5.963 0.363 -16.181 1.00 45.50 C ATOM 860 C MET A 58 -7.330 0.353 -16.847 1.00 10.31 C ATOM 861 O MET A 58 -7.426 0.550 -18.056 1.00 54.22 O ATOM 862 CB MET A 58 -5.503 1.812 -15.974 1.00 13.11 C ATOM 863 CG MET A 58 -4.250 1.959 -15.128 1.00 41.54 C ATOM 864 SD MET A 58 -3.801 3.683 -14.836 1.00 52.52 S ATOM 865 CE MET A 58 -3.364 4.217 -16.486 1.00 20.33 C ATOM 0 H MET A 58 -4.357 0.178 -17.521 1.00 4.53 H new ATOM 0 HA MET A 58 -6.003 -0.108 -15.199 1.00 45.50 H new ATOM 0 HB2 MET A 58 -5.324 2.266 -16.949 1.00 13.11 H new ATOM 0 HB3 MET A 58 -6.311 2.373 -15.505 1.00 13.11 H new ATOM 0 HG2 MET A 58 -4.403 1.461 -14.171 1.00 41.54 H new ATOM 0 HG3 MET A 58 -3.422 1.451 -15.622 1.00 41.54 H new ATOM 0 HE1 MET A 58 -2.835 5.169 -16.432 1.00 20.33 H new ATOM 0 HE2 MET A 58 -2.721 3.470 -16.952 1.00 20.33 H new ATOM 0 HE3 MET A 58 -4.269 4.338 -17.081 1.00 20.33 H new ATOM 875 N VAL A 59 -8.381 0.113 -16.067 1.00 73.23 N ATOM 876 CA VAL A 59 -9.742 0.071 -16.610 1.00 14.44 C ATOM 877 C VAL A 59 -10.254 1.497 -16.869 1.00 42.44 C ATOM 878 O VAL A 59 -11.243 1.705 -17.578 1.00 5.12 O ATOM 879 CB VAL A 59 -10.733 -0.732 -15.703 1.00 0.01 C ATOM 880 CG1 VAL A 59 -10.139 -2.079 -15.304 1.00 32.24 C ATOM 881 CG2 VAL A 59 -11.169 0.043 -14.464 1.00 63.14 C ATOM 0 H VAL A 59 -8.321 -0.055 -15.063 1.00 73.23 H new ATOM 0 HA VAL A 59 -9.696 -0.466 -17.557 1.00 14.44 H new ATOM 0 HB VAL A 59 -11.627 -0.900 -16.303 1.00 0.01 H new ATOM 0 HG11 VAL A 59 -10.848 -2.617 -14.674 1.00 32.24 H new ATOM 0 HG12 VAL A 59 -9.932 -2.665 -16.199 1.00 32.24 H new ATOM 0 HG13 VAL A 59 -9.212 -1.919 -14.753 1.00 32.24 H new ATOM 0 HG21 VAL A 59 -11.855 -0.567 -13.876 1.00 63.14 H new ATOM 0 HG22 VAL A 59 -10.294 0.288 -13.862 1.00 63.14 H new ATOM 0 HG23 VAL A 59 -11.670 0.962 -14.767 1.00 63.14 H new ATOM 891 N GLU A 60 -9.545 2.460 -16.287 1.00 43.33 N ATOM 892 CA GLU A 60 -9.764 3.861 -16.533 1.00 45.52 C ATOM 893 C GLU A 60 -8.398 4.539 -16.648 1.00 31.24 C ATOM 894 O GLU A 60 -7.700 4.740 -15.647 1.00 41.21 O ATOM 895 CB GLU A 60 -10.608 4.462 -15.407 1.00 13.21 C ATOM 896 CG GLU A 60 -11.047 5.894 -15.648 1.00 31.43 C ATOM 897 CD GLU A 60 -11.989 6.398 -14.578 1.00 3.45 C ATOM 898 OE1 GLU A 60 -11.549 6.586 -13.429 1.00 60.11 O ATOM 899 OE2 GLU A 60 -13.171 6.643 -14.891 1.00 72.45 O ATOM 0 H GLU A 60 -8.793 2.274 -15.623 1.00 43.33 H new ATOM 0 HA GLU A 60 -10.315 4.014 -17.461 1.00 45.52 H new ATOM 0 HB2 GLU A 60 -11.493 3.843 -15.263 1.00 13.21 H new ATOM 0 HB3 GLU A 60 -10.036 4.421 -14.480 1.00 13.21 H new ATOM 0 HG2 GLU A 60 -10.169 6.538 -15.687 1.00 31.43 H new ATOM 0 HG3 GLU A 60 -11.536 5.962 -16.620 1.00 31.43 H new ATOM 978 N GLU A 67 -2.678 3.603 -7.102 1.00 72.41 N ATOM 979 CA GLU A 67 -1.742 2.504 -7.192 1.00 2.21 C ATOM 980 C GLU A 67 -0.394 2.899 -6.634 1.00 54.34 C ATOM 981 O GLU A 67 0.069 4.038 -6.805 1.00 25.20 O ATOM 982 CB GLU A 67 -1.562 2.105 -8.648 1.00 64.05 C ATOM 983 CG GLU A 67 -2.854 1.934 -9.417 1.00 33.13 C ATOM 984 CD GLU A 67 -2.589 1.780 -10.886 1.00 2.54 C ATOM 985 OE1 GLU A 67 -1.900 0.825 -11.250 1.00 32.45 O ATOM 986 OE2 GLU A 67 -3.044 2.620 -11.674 1.00 53.50 O ATOM 0 HA GLU A 67 -2.141 1.670 -6.614 1.00 2.21 H new ATOM 0 HB2 GLU A 67 -0.955 2.861 -9.146 1.00 64.05 H new ATOM 0 HB3 GLU A 67 -1.003 1.170 -8.689 1.00 64.05 H new ATOM 0 HG2 GLU A 67 -3.389 1.059 -9.047 1.00 33.13 H new ATOM 0 HG3 GLU A 67 -3.499 2.797 -9.249 1.00 33.13 H new ATOM 993 N TRP A 68 0.234 1.959 -5.972 1.00 2.51 N ATOM 994 CA TRP A 68 1.508 2.208 -5.347 1.00 11.23 C ATOM 995 C TRP A 68 2.656 1.882 -6.297 1.00 41.32 C ATOM 996 O TRP A 68 2.928 0.723 -6.607 1.00 51.34 O ATOM 997 CB TRP A 68 1.576 1.463 -4.001 1.00 62.33 C ATOM 998 CG TRP A 68 0.433 1.857 -3.112 1.00 4.53 C ATOM 999 CD1 TRP A 68 -0.503 1.038 -2.553 1.00 23.01 C ATOM 1000 CD2 TRP A 68 0.062 3.200 -2.748 1.00 32.21 C ATOM 1001 NE1 TRP A 68 -1.426 1.785 -1.860 1.00 4.12 N ATOM 1002 CE2 TRP A 68 -1.096 3.114 -1.967 1.00 62.15 C ATOM 1003 CE3 TRP A 68 0.612 4.466 -3.003 1.00 24.21 C ATOM 1004 CZ2 TRP A 68 -1.726 4.244 -1.458 1.00 73.53 C ATOM 1005 CZ3 TRP A 68 -0.014 5.578 -2.494 1.00 73.34 C ATOM 1006 CH2 TRP A 68 -1.170 5.461 -1.723 1.00 14.35 C ATOM 0 H TRP A 68 -0.119 1.010 -5.852 1.00 2.51 H new ATOM 0 HA TRP A 68 1.615 3.270 -5.124 1.00 11.23 H new ATOM 0 HB2 TRP A 68 1.553 0.387 -4.175 1.00 62.33 H new ATOM 0 HB3 TRP A 68 2.521 1.685 -3.505 1.00 62.33 H new ATOM 0 HD1 TRP A 68 -0.517 -0.038 -2.642 1.00 23.01 H new ATOM 0 HE1 TRP A 68 -2.226 1.413 -1.349 1.00 4.12 H new ATOM 0 HE3 TRP A 68 1.513 4.564 -3.590 1.00 24.21 H new ATOM 0 HZ2 TRP A 68 -2.628 4.161 -0.871 1.00 73.53 H new ATOM 0 HZ3 TRP A 68 0.395 6.557 -2.694 1.00 73.34 H new ATOM 0 HH2 TRP A 68 -1.635 6.352 -1.328 1.00 14.35 H new ATOM 1017 N HIS A 69 3.262 2.955 -6.826 1.00 34.12 N ATOM 1018 CA HIS A 69 4.406 2.841 -7.732 1.00 64.32 C ATOM 1019 C HIS A 69 5.426 3.976 -7.514 1.00 41.32 C ATOM 1020 O HIS A 69 6.287 3.868 -6.646 1.00 0.23 O ATOM 1021 CB HIS A 69 3.981 2.696 -9.236 1.00 34.22 C ATOM 1022 CG HIS A 69 2.900 3.619 -9.770 1.00 23.34 C ATOM 1023 ND1 HIS A 69 3.154 4.704 -10.584 1.00 10.53 N ATOM 1024 CD2 HIS A 69 1.556 3.580 -9.626 1.00 72.21 C ATOM 1025 CE1 HIS A 69 2.013 5.292 -10.902 1.00 72.03 C ATOM 1026 NE2 HIS A 69 1.029 4.628 -10.333 1.00 44.11 N ATOM 0 H HIS A 69 2.974 3.915 -6.638 1.00 34.12 H new ATOM 0 HA HIS A 69 4.910 1.909 -7.477 1.00 64.32 H new ATOM 0 HB2 HIS A 69 4.872 2.838 -9.848 1.00 34.22 H new ATOM 0 HB3 HIS A 69 3.648 1.670 -9.390 1.00 34.22 H new ATOM 0 HD2 HIS A 69 0.998 2.852 -9.055 1.00 72.21 H new ATOM 0 HE1 HIS A 69 1.906 6.169 -11.523 1.00 72.03 H new ATOM 0 HE2 HIS A 69 0.038 4.856 -10.407 1.00 44.11 H new ATOM 1035 N GLU A 70 5.288 5.070 -8.262 1.00 71.03 N ATOM 1036 CA GLU A 70 6.270 6.161 -8.269 1.00 15.14 C ATOM 1037 C GLU A 70 6.046 7.093 -7.086 1.00 5.04 C ATOM 1038 O GLU A 70 6.992 7.592 -6.479 1.00 4.42 O ATOM 1039 CB GLU A 70 6.153 6.938 -9.582 1.00 1.12 C ATOM 1040 CG GLU A 70 6.402 6.088 -10.822 1.00 13.15 C ATOM 1041 CD GLU A 70 6.017 6.794 -12.101 1.00 15.51 C ATOM 1042 OE1 GLU A 70 4.839 6.686 -12.502 1.00 43.40 O ATOM 1043 OE2 GLU A 70 6.879 7.453 -12.714 1.00 12.32 O ATOM 0 H GLU A 70 4.493 5.228 -8.881 1.00 71.03 H new ATOM 0 HA GLU A 70 7.271 5.739 -8.183 1.00 15.14 H new ATOM 0 HB2 GLU A 70 5.157 7.376 -9.647 1.00 1.12 H new ATOM 0 HB3 GLU A 70 6.864 7.764 -9.570 1.00 1.12 H new ATOM 0 HG2 GLU A 70 7.457 5.816 -10.865 1.00 13.15 H new ATOM 0 HG3 GLU A 70 5.837 5.160 -10.740 1.00 13.15 H new ATOM 1050 N GLN A 71 4.770 7.283 -6.763 1.00 24.32 N ATOM 1051 CA GLN A 71 4.329 8.081 -5.622 1.00 74.43 C ATOM 1052 C GLN A 71 4.614 7.346 -4.317 1.00 33.25 C ATOM 1053 O GLN A 71 4.890 7.962 -3.289 1.00 13.15 O ATOM 1054 CB GLN A 71 2.821 8.346 -5.705 1.00 31.22 C ATOM 1055 CG GLN A 71 2.357 9.235 -6.855 1.00 11.25 C ATOM 1056 CD GLN A 71 2.368 8.565 -8.220 1.00 75.11 C ATOM 1057 OE1 GLN A 71 2.195 7.346 -8.345 1.00 75.24 O ATOM 1058 NE2 GLN A 71 2.580 9.364 -9.247 1.00 45.42 N ATOM 0 H GLN A 71 3.999 6.880 -7.296 1.00 24.32 H new ATOM 0 HA GLN A 71 4.874 9.024 -5.645 1.00 74.43 H new ATOM 0 HB2 GLN A 71 2.308 7.387 -5.784 1.00 31.22 H new ATOM 0 HB3 GLN A 71 2.501 8.802 -4.768 1.00 31.22 H new ATOM 0 HG2 GLN A 71 1.345 9.581 -6.643 1.00 11.25 H new ATOM 0 HG3 GLN A 71 2.995 10.118 -6.894 1.00 11.25 H new ATOM 0 HE21 GLN A 71 2.717 10.363 -9.096 1.00 45.42 H new ATOM 0 HE22 GLN A 71 2.607 8.983 -10.193 1.00 45.42 H new ATOM 1067 N ALA A 72 4.571 6.018 -4.397 1.00 74.33 N ATOM 1068 CA ALA A 72 4.745 5.148 -3.244 1.00 40.13 C ATOM 1069 C ALA A 72 6.178 5.119 -2.743 1.00 52.23 C ATOM 1070 O ALA A 72 6.391 4.791 -1.598 1.00 33.40 O ATOM 1071 CB ALA A 72 4.288 3.746 -3.562 1.00 4.23 C ATOM 0 H ALA A 72 4.413 5.516 -5.271 1.00 74.33 H new ATOM 0 HA ALA A 72 4.128 5.563 -2.447 1.00 40.13 H new ATOM 0 HB1 ALA A 72 4.426 3.111 -2.687 1.00 4.23 H new ATOM 0 HB2 ALA A 72 3.233 3.761 -3.837 1.00 4.23 H new ATOM 0 HB3 ALA A 72 4.874 3.352 -4.393 1.00 4.23 H new ATOM 1077 N GLU A 73 7.146 5.433 -3.617 1.00 41.02 N ATOM 1078 CA GLU A 73 8.573 5.498 -3.256 1.00 4.32 C ATOM 1079 C GLU A 73 8.838 6.485 -2.101 1.00 64.02 C ATOM 1080 O GLU A 73 9.637 6.202 -1.204 1.00 13.42 O ATOM 1081 CB GLU A 73 9.388 5.889 -4.495 1.00 11.53 C ATOM 1082 CG GLU A 73 10.895 5.861 -4.289 1.00 21.44 C ATOM 1083 CD GLU A 73 11.648 6.320 -5.515 1.00 52.15 C ATOM 1084 OE1 GLU A 73 11.865 7.539 -5.657 1.00 24.41 O ATOM 1085 OE2 GLU A 73 12.017 5.466 -6.342 1.00 31.35 O ATOM 0 H GLU A 73 6.962 5.650 -4.597 1.00 41.02 H new ATOM 0 HA GLU A 73 8.880 4.513 -2.904 1.00 4.32 H new ATOM 0 HB2 GLU A 73 9.132 5.214 -5.311 1.00 11.53 H new ATOM 0 HB3 GLU A 73 9.094 6.891 -4.807 1.00 11.53 H new ATOM 0 HG2 GLU A 73 11.156 6.499 -3.445 1.00 21.44 H new ATOM 0 HG3 GLU A 73 11.206 4.848 -4.032 1.00 21.44 H new ATOM 1092 N LYS A 74 8.123 7.611 -2.107 1.00 23.24 N ATOM 1093 CA LYS A 74 8.231 8.616 -1.045 1.00 22.40 C ATOM 1094 C LYS A 74 7.547 8.118 0.238 1.00 64.14 C ATOM 1095 O LYS A 74 8.055 8.296 1.348 1.00 73.34 O ATOM 1096 CB LYS A 74 7.588 9.959 -1.472 1.00 71.32 C ATOM 1097 CG LYS A 74 8.102 10.559 -2.782 1.00 22.23 C ATOM 1098 CD LYS A 74 7.239 10.146 -3.968 1.00 55.25 C ATOM 1099 CE LYS A 74 7.744 10.704 -5.291 1.00 71.01 C ATOM 1100 NZ LYS A 74 7.554 12.177 -5.390 1.00 12.51 N ATOM 0 H LYS A 74 7.457 7.852 -2.841 1.00 23.24 H new ATOM 0 HA LYS A 74 9.292 8.778 -0.857 1.00 22.40 H new ATOM 0 HB2 LYS A 74 6.511 9.813 -1.560 1.00 71.32 H new ATOM 0 HB3 LYS A 74 7.747 10.685 -0.675 1.00 71.32 H new ATOM 0 HG2 LYS A 74 8.116 11.646 -2.703 1.00 22.23 H new ATOM 0 HG3 LYS A 74 9.130 10.238 -2.951 1.00 22.23 H new ATOM 0 HD2 LYS A 74 7.208 9.058 -4.027 1.00 55.25 H new ATOM 0 HD3 LYS A 74 6.217 10.486 -3.803 1.00 55.25 H new ATOM 0 HE2 LYS A 74 8.802 10.468 -5.403 1.00 71.01 H new ATOM 0 HE3 LYS A 74 7.220 10.216 -6.113 1.00 71.01 H new ATOM 0 HZ1 LYS A 74 7.534 12.458 -6.391 1.00 12.51 H new ATOM 0 HZ2 LYS A 74 6.656 12.442 -4.938 1.00 12.51 H new ATOM 0 HZ3 LYS A 74 8.339 12.661 -4.910 1.00 12.51 H new ATOM 1114 N VAL A 75 6.404 7.466 0.044 1.00 62.41 N ATOM 1115 CA VAL A 75 5.513 7.031 1.121 1.00 31.04 C ATOM 1116 C VAL A 75 6.078 5.817 1.904 1.00 11.51 C ATOM 1117 O VAL A 75 5.951 5.745 3.129 1.00 1.14 O ATOM 1118 CB VAL A 75 4.117 6.698 0.522 1.00 43.13 C ATOM 1119 CG1 VAL A 75 3.109 6.364 1.595 1.00 13.54 C ATOM 1120 CG2 VAL A 75 3.592 7.852 -0.321 1.00 14.42 C ATOM 0 H VAL A 75 6.062 7.219 -0.885 1.00 62.41 H new ATOM 0 HA VAL A 75 5.425 7.846 1.839 1.00 31.04 H new ATOM 0 HB VAL A 75 4.251 5.821 -0.111 1.00 43.13 H new ATOM 0 HG11 VAL A 75 2.148 6.138 1.133 1.00 13.54 H new ATOM 0 HG12 VAL A 75 3.453 5.498 2.160 1.00 13.54 H new ATOM 0 HG13 VAL A 75 2.997 7.215 2.267 1.00 13.54 H new ATOM 0 HG21 VAL A 75 2.615 7.591 -0.727 1.00 14.42 H new ATOM 0 HG22 VAL A 75 3.501 8.744 0.299 1.00 14.42 H new ATOM 0 HG23 VAL A 75 4.284 8.049 -1.140 1.00 14.42 H new ATOM 1130 N GLU A 76 6.707 4.883 1.183 1.00 74.52 N ATOM 1131 CA GLU A 76 7.239 3.640 1.764 1.00 65.10 C ATOM 1132 C GLU A 76 8.438 3.893 2.688 1.00 2.50 C ATOM 1133 O GLU A 76 8.603 3.198 3.688 1.00 63.51 O ATOM 1134 CB GLU A 76 7.589 2.631 0.646 1.00 1.45 C ATOM 1135 CG GLU A 76 8.722 3.037 -0.295 1.00 72.35 C ATOM 1136 CD GLU A 76 10.015 2.289 -0.033 1.00 35.13 C ATOM 1137 OE1 GLU A 76 10.117 1.116 -0.437 1.00 62.03 O ATOM 1138 OE2 GLU A 76 10.941 2.877 0.560 1.00 44.41 O ATOM 0 H GLU A 76 6.863 4.965 0.178 1.00 74.52 H new ATOM 0 HA GLU A 76 6.457 3.208 2.388 1.00 65.10 H new ATOM 0 HB2 GLU A 76 7.853 1.681 1.111 1.00 1.45 H new ATOM 0 HB3 GLU A 76 6.694 2.456 0.049 1.00 1.45 H new ATOM 0 HG2 GLU A 76 8.411 2.861 -1.325 1.00 72.35 H new ATOM 0 HG3 GLU A 76 8.903 4.107 -0.195 1.00 72.35 H new ATOM 1145 N ALA A 77 9.254 4.901 2.348 1.00 51.14 N ATOM 1146 CA ALA A 77 10.394 5.307 3.171 1.00 75.42 C ATOM 1147 C ALA A 77 9.935 5.912 4.496 1.00 32.34 C ATOM 1148 O ALA A 77 10.583 5.737 5.530 1.00 35.20 O ATOM 1149 CB ALA A 77 11.250 6.299 2.407 1.00 22.33 C ATOM 0 H ALA A 77 9.140 5.453 1.498 1.00 51.14 H new ATOM 0 HA ALA A 77 10.985 4.420 3.399 1.00 75.42 H new ATOM 0 HB1 ALA A 77 12.098 6.599 3.023 1.00 22.33 H new ATOM 0 HB2 ALA A 77 11.614 5.835 1.490 1.00 22.33 H new ATOM 0 HB3 ALA A 77 10.654 7.177 2.158 1.00 22.33 H new ATOM 1155 N TYR A 78 8.787 6.589 4.450 1.00 42.01 N ATOM 1156 CA TYR A 78 8.164 7.177 5.628 1.00 31.14 C ATOM 1157 C TYR A 78 7.587 6.092 6.554 1.00 12.43 C ATOM 1158 O TYR A 78 7.599 6.247 7.769 1.00 32.53 O ATOM 1159 CB TYR A 78 7.070 8.147 5.181 1.00 12.24 C ATOM 1160 CG TYR A 78 6.435 8.950 6.292 1.00 34.21 C ATOM 1161 CD1 TYR A 78 7.059 10.074 6.812 1.00 2.42 C ATOM 1162 CD2 TYR A 78 5.200 8.588 6.807 1.00 23.25 C ATOM 1163 CE1 TYR A 78 6.464 10.816 7.812 1.00 33.34 C ATOM 1164 CE2 TYR A 78 4.601 9.325 7.798 1.00 74.14 C ATOM 1165 CZ TYR A 78 5.234 10.435 8.299 1.00 12.44 C ATOM 1166 OH TYR A 78 4.630 11.174 9.289 1.00 40.20 O ATOM 0 H TYR A 78 8.264 6.744 3.588 1.00 42.01 H new ATOM 0 HA TYR A 78 8.920 7.718 6.197 1.00 31.14 H new ATOM 0 HB2 TYR A 78 7.493 8.837 4.451 1.00 12.24 H new ATOM 0 HB3 TYR A 78 6.290 7.581 4.671 1.00 12.24 H new ATOM 0 HD1 TYR A 78 8.024 10.373 6.429 1.00 2.42 H new ATOM 0 HD2 TYR A 78 4.701 7.711 6.422 1.00 23.25 H new ATOM 0 HE1 TYR A 78 6.960 11.689 8.210 1.00 33.34 H new ATOM 0 HE2 TYR A 78 3.635 9.032 8.182 1.00 74.14 H new ATOM 0 HH TYR A 78 3.684 10.925 9.353 1.00 40.20 H new ATOM 1176 N LEU A 79 7.090 5.003 5.969 1.00 14.23 N ATOM 1177 CA LEU A 79 6.567 3.865 6.730 1.00 71.54 C ATOM 1178 C LEU A 79 7.699 3.169 7.503 1.00 53.33 C ATOM 1179 O LEU A 79 7.527 2.817 8.674 1.00 74.32 O ATOM 1180 CB LEU A 79 5.850 2.896 5.756 1.00 53.14 C ATOM 1181 CG LEU A 79 5.060 1.689 6.334 1.00 51.14 C ATOM 1182 CD1 LEU A 79 5.961 0.497 6.621 1.00 41.52 C ATOM 1183 CD2 LEU A 79 4.272 2.072 7.581 1.00 4.14 C ATOM 0 H LEU A 79 7.038 4.883 4.957 1.00 14.23 H new ATOM 0 HA LEU A 79 5.844 4.211 7.469 1.00 71.54 H new ATOM 0 HB2 LEU A 79 5.156 3.486 5.157 1.00 53.14 H new ATOM 0 HB3 LEU A 79 6.602 2.500 5.074 1.00 53.14 H new ATOM 0 HG LEU A 79 4.350 1.392 5.562 1.00 51.14 H new ATOM 0 HD11 LEU A 79 5.364 -0.322 7.023 1.00 41.52 H new ATOM 0 HD12 LEU A 79 6.443 0.175 5.698 1.00 41.52 H new ATOM 0 HD13 LEU A 79 6.722 0.783 7.347 1.00 41.52 H new ATOM 0 HD21 LEU A 79 3.734 1.200 7.953 1.00 4.14 H new ATOM 0 HD22 LEU A 79 4.958 2.431 8.349 1.00 4.14 H new ATOM 0 HD23 LEU A 79 3.560 2.859 7.334 1.00 4.14 H new ATOM 1195 N VAL A 80 8.841 2.979 6.838 1.00 33.41 N ATOM 1196 CA VAL A 80 10.001 2.319 7.444 1.00 34.13 C ATOM 1197 C VAL A 80 10.624 3.182 8.563 1.00 51.22 C ATOM 1198 O VAL A 80 11.042 2.650 9.589 1.00 51.24 O ATOM 1199 CB VAL A 80 11.059 1.929 6.361 1.00 13.41 C ATOM 1200 CG1 VAL A 80 12.295 1.259 6.960 1.00 23.11 C ATOM 1201 CG2 VAL A 80 10.437 0.995 5.330 1.00 60.52 C ATOM 0 H VAL A 80 8.988 3.275 5.873 1.00 33.41 H new ATOM 0 HA VAL A 80 9.650 1.397 7.907 1.00 34.13 H new ATOM 0 HB VAL A 80 11.379 2.858 5.888 1.00 13.41 H new ATOM 0 HG11 VAL A 80 12.996 1.010 6.163 1.00 23.11 H new ATOM 0 HG12 VAL A 80 12.773 1.940 7.664 1.00 23.11 H new ATOM 0 HG13 VAL A 80 11.999 0.348 7.481 1.00 23.11 H new ATOM 0 HG21 VAL A 80 11.184 0.731 4.581 1.00 60.52 H new ATOM 0 HG22 VAL A 80 10.083 0.091 5.825 1.00 60.52 H new ATOM 0 HG23 VAL A 80 9.598 1.495 4.845 1.00 60.52 H new ATOM 1211 N GLU A 81 10.626 4.511 8.408 1.00 31.43 N ATOM 1212 CA GLU A 81 11.154 5.387 9.458 1.00 75.41 C ATOM 1213 C GLU A 81 10.162 5.556 10.632 1.00 42.11 C ATOM 1214 O GLU A 81 10.563 5.948 11.725 1.00 61.33 O ATOM 1215 CB GLU A 81 11.581 6.755 8.903 1.00 41.42 C ATOM 1216 CG GLU A 81 10.445 7.661 8.460 1.00 3.32 C ATOM 1217 CD GLU A 81 10.931 9.031 8.049 1.00 2.01 C ATOM 1218 OE1 GLU A 81 11.159 9.874 8.942 1.00 70.53 O ATOM 1219 OE2 GLU A 81 11.093 9.270 6.838 1.00 60.31 O ATOM 0 H GLU A 81 10.275 4.996 7.582 1.00 31.43 H new ATOM 0 HA GLU A 81 12.044 4.893 9.849 1.00 75.41 H new ATOM 0 HB2 GLU A 81 12.160 7.274 9.667 1.00 41.42 H new ATOM 0 HB3 GLU A 81 12.246 6.593 8.055 1.00 41.42 H new ATOM 0 HG2 GLU A 81 9.919 7.199 7.625 1.00 3.32 H new ATOM 0 HG3 GLU A 81 9.726 7.762 9.273 1.00 3.32 H new ATOM 1226 N LYS A 82 8.874 5.278 10.394 1.00 51.01 N ATOM 1227 CA LYS A 82 7.866 5.335 11.456 1.00 43.30 C ATOM 1228 C LYS A 82 7.782 4.048 12.259 1.00 14.21 C ATOM 1229 O LYS A 82 7.410 4.092 13.437 1.00 21.45 O ATOM 1230 CB LYS A 82 6.475 5.681 10.894 1.00 63.31 C ATOM 1231 CG LYS A 82 6.265 7.167 10.636 1.00 41.44 C ATOM 1232 CD LYS A 82 6.689 7.997 11.835 1.00 52.43 C ATOM 1233 CE LYS A 82 6.292 9.450 11.699 1.00 70.20 C ATOM 1234 NZ LYS A 82 4.823 9.629 11.841 1.00 70.01 N ATOM 0 H LYS A 82 8.508 5.013 9.480 1.00 51.01 H new ATOM 0 HA LYS A 82 8.191 6.128 12.129 1.00 43.30 H new ATOM 0 HB2 LYS A 82 6.325 5.136 9.962 1.00 63.31 H new ATOM 0 HB3 LYS A 82 5.715 5.333 11.593 1.00 63.31 H new ATOM 0 HG2 LYS A 82 6.837 7.471 9.759 1.00 41.44 H new ATOM 0 HG3 LYS A 82 5.215 7.355 10.413 1.00 41.44 H new ATOM 0 HD2 LYS A 82 6.239 7.583 12.737 1.00 52.43 H new ATOM 0 HD3 LYS A 82 7.770 7.928 11.957 1.00 52.43 H new ATOM 0 HE2 LYS A 82 6.807 10.041 12.456 1.00 70.20 H new ATOM 0 HE3 LYS A 82 6.613 9.827 10.728 1.00 70.20 H new ATOM 0 HZ1 LYS A 82 4.459 10.171 11.031 1.00 70.01 H new ATOM 0 HZ2 LYS A 82 4.361 8.698 11.870 1.00 70.01 H new ATOM 0 HZ3 LYS A 82 4.620 10.144 12.721 1.00 70.01 H new ATOM 1248 N GLN A 83 8.088 2.916 11.586 1.00 71.35 N ATOM 1249 CA GLN A 83 8.072 1.548 12.166 1.00 32.44 C ATOM 1250 C GLN A 83 6.658 1.072 12.511 1.00 0.41 C ATOM 1251 O GLN A 83 6.486 0.019 13.123 1.00 35.44 O ATOM 1252 CB GLN A 83 8.971 1.457 13.416 1.00 43.54 C ATOM 1253 CG GLN A 83 10.444 1.653 13.130 1.00 54.32 C ATOM 1254 CD GLN A 83 11.065 0.428 12.519 1.00 44.42 C ATOM 1255 OE1 GLN A 83 11.601 -0.416 13.219 1.00 54.03 O ATOM 1256 NE2 GLN A 83 10.966 0.306 11.214 1.00 50.22 N ATOM 0 H GLN A 83 8.359 2.925 10.603 1.00 71.35 H new ATOM 0 HA GLN A 83 8.467 0.888 11.393 1.00 32.44 H new ATOM 0 HB2 GLN A 83 8.649 2.207 14.138 1.00 43.54 H new ATOM 0 HB3 GLN A 83 8.829 0.483 13.883 1.00 43.54 H new ATOM 0 HG2 GLN A 83 10.573 2.500 12.456 1.00 54.32 H new ATOM 0 HG3 GLN A 83 10.964 1.900 14.056 1.00 54.32 H new ATOM 0 HE21 GLN A 83 10.510 1.036 10.667 1.00 50.22 H new ATOM 0 HE22 GLN A 83 11.345 -0.519 10.749 1.00 50.22 H new ATOM 1265 N ASP A 84 5.651 1.811 12.052 1.00 4.54 N ATOM 1266 CA ASP A 84 4.286 1.613 12.503 1.00 22.44 C ATOM 1267 C ASP A 84 3.303 2.076 11.424 1.00 45.52 C ATOM 1268 O ASP A 84 3.392 3.211 10.944 1.00 32.34 O ATOM 1269 CB ASP A 84 4.066 2.379 13.815 1.00 32.32 C ATOM 1270 CG ASP A 84 2.732 2.082 14.458 1.00 64.13 C ATOM 1271 OD1 ASP A 84 2.601 1.030 15.119 1.00 71.04 O ATOM 1272 OD2 ASP A 84 1.813 2.893 14.305 1.00 10.40 O ATOM 0 H ASP A 84 5.761 2.556 11.364 1.00 4.54 H new ATOM 0 HA ASP A 84 4.110 0.553 12.685 1.00 22.44 H new ATOM 0 HB2 ASP A 84 4.864 2.127 14.514 1.00 32.32 H new ATOM 0 HB3 ASP A 84 4.139 3.449 13.621 1.00 32.32 H new ATOM 1277 N PRO A 85 2.352 1.193 11.026 1.00 61.55 N ATOM 1278 CA PRO A 85 1.414 1.450 9.913 1.00 34.33 C ATOM 1279 C PRO A 85 0.215 2.359 10.255 1.00 52.55 C ATOM 1280 O PRO A 85 -0.636 2.588 9.399 1.00 41.12 O ATOM 1281 CB PRO A 85 0.907 0.048 9.602 1.00 22.15 C ATOM 1282 CG PRO A 85 0.892 -0.631 10.919 1.00 72.22 C ATOM 1283 CD PRO A 85 2.130 -0.157 11.610 1.00 71.54 C ATOM 0 HA PRO A 85 1.914 1.981 9.103 1.00 34.33 H new ATOM 0 HB2 PRO A 85 -0.087 0.073 9.155 1.00 22.15 H new ATOM 0 HB3 PRO A 85 1.561 -0.465 8.896 1.00 22.15 H new ATOM 0 HG2 PRO A 85 -0.001 -0.372 11.487 1.00 72.22 H new ATOM 0 HG3 PRO A 85 0.894 -1.715 10.805 1.00 72.22 H new ATOM 0 HD2 PRO A 85 1.995 -0.111 12.691 1.00 71.54 H new ATOM 0 HD3 PRO A 85 2.974 -0.820 11.423 1.00 71.54 H new ATOM 1291 N THR A 86 0.130 2.849 11.489 1.00 74.35 N ATOM 1292 CA THR A 86 -0.984 3.707 11.881 1.00 73.32 C ATOM 1293 C THR A 86 -0.482 5.042 12.465 1.00 2.45 C ATOM 1294 O THR A 86 -1.276 5.900 12.872 1.00 75.01 O ATOM 1295 CB THR A 86 -1.961 2.957 12.849 1.00 1.13 C ATOM 1296 OG1 THR A 86 -3.166 3.706 13.060 1.00 2.12 O ATOM 1297 CG2 THR A 86 -1.332 2.639 14.197 1.00 31.34 C ATOM 0 H THR A 86 0.811 2.669 12.227 1.00 74.35 H new ATOM 0 HA THR A 86 -1.556 3.953 10.986 1.00 73.32 H new ATOM 0 HB THR A 86 -2.196 2.014 12.355 1.00 1.13 H new ATOM 0 HG1 THR A 86 -3.912 3.258 12.610 1.00 2.12 H new ATOM 0 HG21 THR A 86 -2.057 2.120 14.823 1.00 31.34 H new ATOM 0 HG22 THR A 86 -0.459 2.004 14.050 1.00 31.34 H new ATOM 0 HG23 THR A 86 -1.029 3.565 14.685 1.00 31.34 H new ATOM 1305 N ASP A 87 0.845 5.242 12.463 1.00 43.52 N ATOM 1306 CA ASP A 87 1.421 6.497 12.937 1.00 35.44 C ATOM 1307 C ASP A 87 1.513 7.500 11.786 1.00 72.43 C ATOM 1308 O ASP A 87 2.545 7.647 11.121 1.00 32.00 O ATOM 1309 CB ASP A 87 2.784 6.280 13.607 1.00 74.54 C ATOM 1310 CG ASP A 87 3.236 7.509 14.369 1.00 53.00 C ATOM 1311 OD1 ASP A 87 2.422 8.080 15.119 1.00 45.44 O ATOM 1312 OD2 ASP A 87 4.395 7.924 14.211 1.00 74.53 O ATOM 0 H ASP A 87 1.528 4.556 12.141 1.00 43.52 H new ATOM 0 HA ASP A 87 0.761 6.909 13.700 1.00 35.44 H new ATOM 0 HB2 ASP A 87 2.724 5.431 14.288 1.00 74.54 H new ATOM 0 HB3 ASP A 87 3.526 6.028 12.849 1.00 74.54 H new ATOM 1317 N ILE A 88 0.379 8.146 11.539 1.00 21.31 N ATOM 1318 CA ILE A 88 0.208 9.098 10.454 1.00 44.41 C ATOM 1319 C ILE A 88 -1.017 9.975 10.764 1.00 21.24 C ATOM 1320 O ILE A 88 -1.906 9.556 11.506 1.00 10.22 O ATOM 1321 CB ILE A 88 0.044 8.346 9.078 1.00 31.35 C ATOM 1322 CG1 ILE A 88 -0.023 9.308 7.882 1.00 35.15 C ATOM 1323 CG2 ILE A 88 -1.192 7.442 9.076 1.00 41.33 C ATOM 1324 CD1 ILE A 88 1.226 10.125 7.655 1.00 25.23 C ATOM 0 H ILE A 88 -0.463 8.018 12.100 1.00 21.31 H new ATOM 0 HA ILE A 88 1.091 9.732 10.369 1.00 44.41 H new ATOM 0 HB ILE A 88 0.938 7.732 8.967 1.00 31.35 H new ATOM 0 HG12 ILE A 88 -0.231 8.731 6.981 1.00 35.15 H new ATOM 0 HG13 ILE A 88 -0.863 9.987 8.027 1.00 35.15 H new ATOM 0 HG21 ILE A 88 -1.274 6.940 8.112 1.00 41.33 H new ATOM 0 HG22 ILE A 88 -1.100 6.697 9.867 1.00 41.33 H new ATOM 0 HG23 ILE A 88 -2.084 8.045 9.248 1.00 41.33 H new ATOM 0 HD11 ILE A 88 1.084 10.774 6.790 1.00 25.23 H new ATOM 0 HD12 ILE A 88 1.428 10.734 8.536 1.00 25.23 H new ATOM 0 HD13 ILE A 88 2.069 9.458 7.474 1.00 25.23 H new ATOM 1336 N LYS A 89 -1.018 11.203 10.268 1.00 25.24 N ATOM 1337 CA LYS A 89 -2.197 12.050 10.319 1.00 63.44 C ATOM 1338 C LYS A 89 -2.327 12.800 8.999 1.00 43.22 C ATOM 1339 O LYS A 89 -1.325 13.168 8.385 1.00 54.23 O ATOM 1340 CB LYS A 89 -2.126 13.020 11.508 1.00 31.35 C ATOM 1341 CG LYS A 89 -3.454 13.674 11.852 1.00 61.31 C ATOM 1342 CD LYS A 89 -3.340 14.542 13.089 1.00 21.14 C ATOM 1343 CE LYS A 89 -4.681 15.148 13.459 1.00 53.33 C ATOM 1344 NZ LYS A 89 -4.604 15.958 14.699 1.00 34.01 N ATOM 0 H LYS A 89 -0.209 11.636 9.823 1.00 25.24 H new ATOM 0 HA LYS A 89 -3.082 11.431 10.465 1.00 63.44 H new ATOM 0 HB2 LYS A 89 -1.761 12.481 12.382 1.00 31.35 H new ATOM 0 HB3 LYS A 89 -1.396 13.798 11.286 1.00 31.35 H new ATOM 0 HG2 LYS A 89 -3.792 14.280 11.011 1.00 61.31 H new ATOM 0 HG3 LYS A 89 -4.209 12.905 12.014 1.00 61.31 H new ATOM 0 HD2 LYS A 89 -2.965 13.946 13.921 1.00 21.14 H new ATOM 0 HD3 LYS A 89 -2.615 15.337 12.913 1.00 21.14 H new ATOM 0 HE2 LYS A 89 -5.034 15.774 12.639 1.00 53.33 H new ATOM 0 HE3 LYS A 89 -5.414 14.352 13.591 1.00 53.33 H new ATOM 0 HZ1 LYS A 89 -5.542 16.353 14.915 1.00 34.01 H new ATOM 0 HZ2 LYS A 89 -4.292 15.356 15.488 1.00 34.01 H new ATOM 0 HZ3 LYS A 89 -3.924 16.734 14.565 1.00 34.01 H new ATOM 1358 N TYR A 90 -3.561 12.964 8.547 1.00 25.21 N ATOM 1359 CA TYR A 90 -3.848 13.618 7.277 1.00 12.23 C ATOM 1360 C TYR A 90 -4.587 14.923 7.517 1.00 32.15 C ATOM 1361 O TYR A 90 -5.459 14.992 8.390 1.00 52.42 O ATOM 1362 CB TYR A 90 -4.692 12.703 6.383 1.00 54.34 C ATOM 1363 CG TYR A 90 -4.094 11.330 6.185 1.00 22.01 C ATOM 1364 CD1 TYR A 90 -2.927 11.159 5.456 1.00 74.31 C ATOM 1365 CD2 TYR A 90 -4.689 10.213 6.748 1.00 50.31 C ATOM 1366 CE1 TYR A 90 -2.373 9.909 5.288 1.00 33.10 C ATOM 1367 CE2 TYR A 90 -4.140 8.963 6.592 1.00 30.34 C ATOM 1368 CZ TYR A 90 -2.984 8.816 5.860 1.00 62.12 C ATOM 1369 OH TYR A 90 -2.437 7.569 5.701 1.00 10.01 O ATOM 0 H TYR A 90 -4.391 12.648 9.048 1.00 25.21 H new ATOM 0 HA TYR A 90 -2.903 13.828 6.775 1.00 12.23 H new ATOM 0 HB2 TYR A 90 -5.685 12.598 6.820 1.00 54.34 H new ATOM 0 HB3 TYR A 90 -4.820 13.178 5.410 1.00 54.34 H new ATOM 0 HD1 TYR A 90 -2.445 12.018 5.013 1.00 74.31 H new ATOM 0 HD2 TYR A 90 -5.599 10.326 7.319 1.00 50.31 H new ATOM 0 HE1 TYR A 90 -1.467 9.788 4.713 1.00 33.10 H new ATOM 0 HE2 TYR A 90 -4.613 8.102 7.041 1.00 30.34 H new ATOM 0 HH TYR A 90 -1.468 7.650 5.578 1.00 10.01 H new ATOM 1379 N LYS A 91 -4.241 15.960 6.761 1.00 31.11 N ATOM 1380 CA LYS A 91 -4.906 17.250 6.924 1.00 42.33 C ATOM 1381 C LYS A 91 -5.574 17.720 5.624 1.00 33.22 C ATOM 1382 O LYS A 91 -5.150 18.689 4.997 1.00 41.54 O ATOM 1383 CB LYS A 91 -3.886 18.310 7.447 1.00 72.11 C ATOM 1384 CG LYS A 91 -2.391 18.067 7.096 1.00 1.45 C ATOM 1385 CD LYS A 91 -2.051 18.202 5.603 1.00 41.22 C ATOM 1386 CE LYS A 91 -2.185 19.634 5.090 1.00 53.50 C ATOM 1387 NZ LYS A 91 -1.209 20.566 5.703 1.00 62.50 N ATOM 0 H LYS A 91 -3.518 15.936 6.042 1.00 31.11 H new ATOM 0 HA LYS A 91 -5.701 17.130 7.660 1.00 42.33 H new ATOM 0 HB2 LYS A 91 -4.175 19.284 7.053 1.00 72.11 H new ATOM 0 HB3 LYS A 91 -3.977 18.365 8.532 1.00 72.11 H new ATOM 0 HG2 LYS A 91 -1.780 18.773 7.659 1.00 1.45 H new ATOM 0 HG3 LYS A 91 -2.112 17.068 7.429 1.00 1.45 H new ATOM 0 HD2 LYS A 91 -1.031 17.855 5.435 1.00 41.22 H new ATOM 0 HD3 LYS A 91 -2.708 17.552 5.026 1.00 41.22 H new ATOM 0 HE2 LYS A 91 -2.053 19.640 4.008 1.00 53.50 H new ATOM 0 HE3 LYS A 91 -3.195 19.992 5.290 1.00 53.50 H new ATOM 0 HZ1 LYS A 91 -1.529 21.546 5.563 1.00 62.50 H new ATOM 0 HZ2 LYS A 91 -1.133 20.369 6.721 1.00 62.50 H new ATOM 0 HZ3 LYS A 91 -0.279 20.438 5.255 1.00 62.50 H new ATOM 1401 N ASP A 92 -6.664 17.051 5.259 1.00 11.54 N ATOM 1402 CA ASP A 92 -7.528 17.462 4.142 1.00 11.01 C ATOM 1403 C ASP A 92 -8.841 16.655 4.205 1.00 41.34 C ATOM 1404 O ASP A 92 -9.185 16.112 5.256 1.00 43.33 O ATOM 1405 CB ASP A 92 -6.817 17.274 2.774 1.00 34.15 C ATOM 1406 CG ASP A 92 -6.585 15.831 2.405 1.00 44.30 C ATOM 1407 OD1 ASP A 92 -6.143 15.065 3.262 1.00 14.41 O ATOM 1408 OD2 ASP A 92 -6.872 15.455 1.259 1.00 51.22 O ATOM 0 H ASP A 92 -6.980 16.203 5.729 1.00 11.54 H new ATOM 0 HA ASP A 92 -7.751 18.525 4.235 1.00 11.01 H new ATOM 0 HB2 ASP A 92 -7.415 17.747 1.995 1.00 34.15 H new ATOM 0 HB3 ASP A 92 -5.858 17.792 2.798 1.00 34.15 H new ATOM 1413 N ASN A 93 -9.543 16.561 3.073 1.00 22.45 N ATOM 1414 CA ASN A 93 -10.787 15.800 2.974 1.00 61.43 C ATOM 1415 C ASN A 93 -10.604 14.371 2.406 1.00 62.35 C ATOM 1416 O ASN A 93 -11.580 13.627 2.332 1.00 12.14 O ATOM 1417 CB ASN A 93 -11.800 16.567 2.112 1.00 75.20 C ATOM 1418 CG ASN A 93 -11.265 16.977 0.748 1.00 41.15 C ATOM 1419 OD1 ASN A 93 -11.326 16.220 -0.215 1.00 54.45 O ATOM 1420 ND2 ASN A 93 -10.750 18.194 0.655 1.00 73.35 N ATOM 0 H ASN A 93 -9.264 17.011 2.201 1.00 22.45 H new ATOM 0 HA ASN A 93 -11.154 15.685 3.994 1.00 61.43 H new ATOM 0 HB2 ASN A 93 -12.686 15.947 1.972 1.00 75.20 H new ATOM 0 HB3 ASN A 93 -12.117 17.460 2.650 1.00 75.20 H new ATOM 0 HD21 ASN A 93 -10.388 18.528 -0.238 1.00 73.35 H new ATOM 0 HD22 ASN A 93 -10.715 18.797 1.477 1.00 73.35 H new ATOM 1427 N ASP A 94 -9.379 13.976 2.020 1.00 12.24 N ATOM 1428 CA ASP A 94 -9.172 12.659 1.398 1.00 21.43 C ATOM 1429 C ASP A 94 -8.199 11.826 2.223 1.00 2.25 C ATOM 1430 O ASP A 94 -8.551 10.755 2.736 1.00 22.22 O ATOM 1431 CB ASP A 94 -8.617 12.785 -0.036 1.00 72.24 C ATOM 1432 CG ASP A 94 -8.942 11.577 -0.909 1.00 2.14 C ATOM 1433 OD1 ASP A 94 -8.650 10.435 -0.500 1.00 23.41 O ATOM 1434 OD2 ASP A 94 -9.489 11.769 -2.011 1.00 41.03 O ATOM 0 H ASP A 94 -8.534 14.537 2.125 1.00 12.24 H new ATOM 0 HA ASP A 94 -10.146 12.171 1.358 1.00 21.43 H new ATOM 0 HB2 ASP A 94 -9.026 13.682 -0.500 1.00 72.24 H new ATOM 0 HB3 ASP A 94 -7.536 12.914 0.009 1.00 72.24 H new ATOM 1439 N GLY A 95 -6.983 12.327 2.351 1.00 44.31 N ATOM 1440 CA GLY A 95 -5.935 11.581 3.002 1.00 0.24 C ATOM 1441 C GLY A 95 -4.563 11.952 2.491 1.00 34.10 C ATOM 1442 O GLY A 95 -3.769 11.090 2.168 1.00 15.51 O ATOM 0 H GLY A 95 -6.703 13.247 2.011 1.00 44.31 H new ATOM 0 HA2 GLY A 95 -5.980 11.758 4.077 1.00 0.24 H new ATOM 0 HA3 GLY A 95 -6.101 10.515 2.848 1.00 0.24 H new ATOM 1446 N HIS A 96 -4.290 13.239 2.438 1.00 55.11 N ATOM 1447 CA HIS A 96 -2.995 13.768 2.046 1.00 70.11 C ATOM 1448 C HIS A 96 -2.225 14.199 3.278 1.00 61.12 C ATOM 1449 O HIS A 96 -2.809 14.665 4.258 1.00 60.33 O ATOM 1450 CB HIS A 96 -3.157 14.963 1.108 1.00 14.31 C ATOM 1451 CG HIS A 96 -3.627 14.605 -0.267 1.00 64.15 C ATOM 1452 ND1 HIS A 96 -4.935 14.736 -0.679 1.00 0.32 N ATOM 1453 CD2 HIS A 96 -2.954 14.123 -1.325 1.00 14.42 C ATOM 1454 CE1 HIS A 96 -5.046 14.349 -1.930 1.00 53.25 C ATOM 1455 NE2 HIS A 96 -3.858 13.972 -2.348 1.00 72.54 N ATOM 0 H HIS A 96 -4.972 13.961 2.670 1.00 55.11 H new ATOM 0 HA HIS A 96 -2.449 12.984 1.522 1.00 70.11 H new ATOM 0 HB2 HIS A 96 -3.864 15.664 1.550 1.00 14.31 H new ATOM 0 HB3 HIS A 96 -2.201 15.481 1.030 1.00 14.31 H new ATOM 0 HD1 HIS A 96 -5.701 15.081 -0.101 1.00 0.32 H new ATOM 0 HD2 HIS A 96 -1.899 13.896 -1.364 1.00 14.42 H new ATOM 0 HE1 HIS A 96 -5.955 14.342 -2.513 1.00 53.25 H new ATOM 1464 N THR A 97 -0.919 14.070 3.218 1.00 64.35 N ATOM 1465 CA THR A 97 -0.082 14.322 4.370 1.00 2.32 C ATOM 1466 C THR A 97 0.939 15.425 4.080 1.00 54.24 C ATOM 1467 O THR A 97 1.510 15.507 2.990 1.00 1.54 O ATOM 1468 CB THR A 97 0.600 13.011 4.865 1.00 62.52 C ATOM 1469 OG1 THR A 97 1.537 13.280 5.913 1.00 41.35 O ATOM 1470 CG2 THR A 97 1.289 12.264 3.729 1.00 72.11 C ATOM 0 H THR A 97 -0.411 13.790 2.379 1.00 64.35 H new ATOM 0 HA THR A 97 -0.719 14.679 5.179 1.00 2.32 H new ATOM 0 HB THR A 97 -0.192 12.373 5.257 1.00 62.52 H new ATOM 0 HG1 THR A 97 2.166 12.533 5.989 1.00 41.35 H new ATOM 0 HG21 THR A 97 1.751 11.357 4.118 1.00 72.11 H new ATOM 0 HG22 THR A 97 0.554 12.000 2.969 1.00 72.11 H new ATOM 0 HG23 THR A 97 2.055 12.901 3.287 1.00 72.11 H new ATOM 1478 N ASP A 98 1.144 16.272 5.084 1.00 61.30 N ATOM 1479 CA ASP A 98 2.078 17.397 5.019 1.00 1.13 C ATOM 1480 C ASP A 98 3.499 16.933 5.360 1.00 3.12 C ATOM 1481 O ASP A 98 4.477 17.641 5.120 1.00 51.43 O ATOM 1482 CB ASP A 98 1.619 18.471 6.016 1.00 73.05 C ATOM 1483 CG ASP A 98 2.270 19.826 5.811 1.00 45.20 C ATOM 1484 OD1 ASP A 98 1.800 20.585 4.942 1.00 61.33 O ATOM 1485 OD2 ASP A 98 3.229 20.148 6.539 1.00 60.13 O ATOM 0 H ASP A 98 0.661 16.197 5.979 1.00 61.30 H new ATOM 0 HA ASP A 98 2.089 17.807 4.009 1.00 1.13 H new ATOM 0 HB2 ASP A 98 0.538 18.584 5.939 1.00 73.05 H new ATOM 0 HB3 ASP A 98 1.832 18.127 7.028 1.00 73.05 H new ATOM 1490 N ALA A 99 3.591 15.725 5.907 1.00 52.31 N ATOM 1491 CA ALA A 99 4.854 15.156 6.332 1.00 3.12 C ATOM 1492 C ALA A 99 5.644 14.588 5.155 1.00 42.45 C ATOM 1493 O ALA A 99 6.842 14.831 5.052 1.00 21.50 O ATOM 1494 CB ALA A 99 4.609 14.091 7.381 1.00 61.23 C ATOM 0 H ALA A 99 2.788 15.117 6.066 1.00 52.31 H new ATOM 0 HA ALA A 99 5.457 15.953 6.766 1.00 3.12 H new ATOM 0 HB1 ALA A 99 5.562 13.666 7.697 1.00 61.23 H new ATOM 0 HB2 ALA A 99 4.107 14.535 8.240 1.00 61.23 H new ATOM 0 HB3 ALA A 99 3.982 13.304 6.961 1.00 61.23 H new ATOM 1500 N ILE A 100 4.978 13.843 4.265 1.00 73.10 N ATOM 1501 CA ILE A 100 5.655 13.266 3.101 1.00 50.15 C ATOM 1502 C ILE A 100 5.722 14.292 1.965 1.00 70.40 C ATOM 1503 O ILE A 100 4.720 14.574 1.295 1.00 40.23 O ATOM 1504 CB ILE A 100 4.979 11.959 2.594 1.00 64.32 C ATOM 1505 CG1 ILE A 100 4.777 10.972 3.751 1.00 71.22 C ATOM 1506 CG2 ILE A 100 5.837 11.313 1.505 1.00 23.53 C ATOM 1507 CD1 ILE A 100 4.004 9.721 3.378 1.00 45.45 C ATOM 0 H ILE A 100 3.983 13.628 4.328 1.00 73.10 H new ATOM 0 HA ILE A 100 6.662 13.002 3.423 1.00 50.15 H new ATOM 0 HB ILE A 100 4.004 12.214 2.179 1.00 64.32 H new ATOM 0 HG12 ILE A 100 5.753 10.680 4.138 1.00 71.22 H new ATOM 0 HG13 ILE A 100 4.253 11.481 4.560 1.00 71.22 H new ATOM 0 HG21 ILE A 100 5.356 10.399 1.157 1.00 23.53 H new ATOM 0 HG22 ILE A 100 5.948 12.005 0.671 1.00 23.53 H new ATOM 0 HG23 ILE A 100 6.820 11.073 1.911 1.00 23.53 H new ATOM 0 HD11 ILE A 100 3.907 9.079 4.253 1.00 45.45 H new ATOM 0 HD12 ILE A 100 3.013 9.999 3.020 1.00 45.45 H new ATOM 0 HD13 ILE A 100 4.536 9.185 2.592 1.00 45.45 H new ATOM 1519 N SER A 101 6.909 14.866 1.800 1.00 11.21 N ATOM 1520 CA SER A 101 7.193 15.818 0.738 1.00 22.13 C ATOM 1521 C SER A 101 7.364 15.105 -0.600 1.00 61.23 C ATOM 1522 O SER A 101 8.357 14.408 -0.830 1.00 75.23 O ATOM 1523 CB SER A 101 8.452 16.618 1.085 1.00 61.13 C ATOM 1524 OG SER A 101 8.326 17.228 2.360 1.00 73.24 O ATOM 0 H SER A 101 7.707 14.680 2.407 1.00 11.21 H new ATOM 0 HA SER A 101 6.350 16.502 0.647 1.00 22.13 H new ATOM 0 HB2 SER A 101 9.321 15.960 1.076 1.00 61.13 H new ATOM 0 HB3 SER A 101 8.623 17.382 0.327 1.00 61.13 H new ATOM 0 HG SER A 101 9.141 17.733 2.563 1.00 73.24 H new ATOM 1530 N GLY A 102 6.360 15.250 -1.455 1.00 20.34 N ATOM 1531 CA GLY A 102 6.397 14.632 -2.761 1.00 41.14 C ATOM 1532 C GLY A 102 5.184 13.769 -3.034 1.00 72.50 C ATOM 1533 O GLY A 102 4.965 13.365 -4.174 1.00 21.05 O ATOM 0 H GLY A 102 5.516 15.789 -1.263 1.00 20.34 H new ATOM 0 HA2 GLY A 102 6.465 15.408 -3.524 1.00 41.14 H new ATOM 0 HA3 GLY A 102 7.297 14.023 -2.845 1.00 41.14 H new ATOM 1537 N ALA A 103 4.400 13.480 -1.997 1.00 74.03 N ATOM 1538 CA ALA A 103 3.203 12.667 -2.152 1.00 12.05 C ATOM 1539 C ALA A 103 1.981 13.535 -2.437 1.00 12.31 C ATOM 1540 O ALA A 103 1.368 14.107 -1.528 1.00 21.01 O ATOM 1541 CB ALA A 103 2.980 11.796 -0.927 1.00 2.42 C ATOM 0 H ALA A 103 4.575 13.798 -1.044 1.00 74.03 H new ATOM 0 HA ALA A 103 3.351 12.012 -3.010 1.00 12.05 H new ATOM 0 HB1 ALA A 103 2.080 11.197 -1.065 1.00 2.42 H new ATOM 0 HB2 ALA A 103 3.837 11.137 -0.789 1.00 2.42 H new ATOM 0 HB3 ALA A 103 2.863 12.429 -0.047 1.00 2.42 H new ATOM 1547 N THR A 104 1.662 13.655 -3.722 1.00 51.03 N ATOM 1548 CA THR A 104 0.492 14.402 -4.177 1.00 72.13 C ATOM 1549 C THR A 104 -0.740 13.495 -4.289 1.00 74.04 C ATOM 1550 O THR A 104 -1.852 13.961 -4.550 1.00 4.52 O ATOM 1551 CB THR A 104 0.774 15.083 -5.534 1.00 0.44 C ATOM 1552 OG1 THR A 104 1.396 14.153 -6.432 1.00 14.13 O ATOM 1553 CG2 THR A 104 1.676 16.297 -5.356 1.00 72.42 C ATOM 0 H THR A 104 2.206 13.238 -4.477 1.00 51.03 H new ATOM 0 HA THR A 104 0.282 15.171 -3.433 1.00 72.13 H new ATOM 0 HB THR A 104 -0.178 15.413 -5.951 1.00 0.44 H new ATOM 0 HG1 THR A 104 1.569 14.593 -7.290 1.00 14.13 H new ATOM 0 HG21 THR A 104 1.860 16.759 -6.326 1.00 72.42 H new ATOM 0 HG22 THR A 104 1.191 17.017 -4.697 1.00 72.42 H new ATOM 0 HG23 THR A 104 2.624 15.985 -4.917 1.00 72.42 H new ATOM 1561 N ILE A 105 -0.520 12.198 -4.102 1.00 12.10 N ATOM 1562 CA ILE A 105 -1.580 11.202 -4.076 1.00 73.24 C ATOM 1563 C ILE A 105 -2.038 10.989 -2.619 1.00 40.12 C ATOM 1564 O ILE A 105 -1.268 11.239 -1.680 1.00 1.43 O ATOM 1565 CB ILE A 105 -1.045 9.889 -4.751 1.00 52.32 C ATOM 1566 CG1 ILE A 105 -2.186 8.968 -5.256 1.00 34.23 C ATOM 1567 CG2 ILE A 105 -0.068 9.136 -3.842 1.00 34.21 C ATOM 1568 CD1 ILE A 105 -2.725 7.944 -4.271 1.00 54.10 C ATOM 0 H ILE A 105 0.411 11.806 -3.963 1.00 12.10 H new ATOM 0 HA ILE A 105 -2.454 11.530 -4.639 1.00 73.24 H new ATOM 0 HB ILE A 105 -0.489 10.204 -5.634 1.00 52.32 H new ATOM 0 HG12 ILE A 105 -3.015 9.599 -5.578 1.00 34.23 H new ATOM 0 HG13 ILE A 105 -1.829 8.436 -6.138 1.00 34.23 H new ATOM 0 HG21 ILE A 105 0.278 8.234 -4.347 1.00 34.21 H new ATOM 0 HG22 ILE A 105 0.785 9.775 -3.616 1.00 34.21 H new ATOM 0 HG23 ILE A 105 -0.571 8.862 -2.915 1.00 34.21 H new ATOM 0 HD11 ILE A 105 -3.517 7.364 -4.745 1.00 54.10 H new ATOM 0 HD12 ILE A 105 -1.920 7.276 -3.964 1.00 54.10 H new ATOM 0 HD13 ILE A 105 -3.125 8.456 -3.396 1.00 54.10 H new ATOM 1580 N LYS A 106 -3.313 10.627 -2.431 1.00 11.23 N ATOM 1581 CA LYS A 106 -3.836 10.261 -1.117 1.00 53.13 C ATOM 1582 C LYS A 106 -3.145 9.016 -0.523 1.00 61.02 C ATOM 1583 O LYS A 106 -3.349 7.878 -0.942 1.00 52.23 O ATOM 1584 CB LYS A 106 -5.376 10.126 -1.139 1.00 1.13 C ATOM 1585 CG LYS A 106 -5.987 9.645 -2.463 1.00 23.11 C ATOM 1586 CD LYS A 106 -6.034 8.127 -2.597 1.00 22.33 C ATOM 1587 CE LYS A 106 -7.126 7.508 -1.737 1.00 1.31 C ATOM 1588 NZ LYS A 106 -8.481 7.955 -2.160 1.00 75.14 N ATOM 0 H LYS A 106 -4.003 10.581 -3.181 1.00 11.23 H new ATOM 0 HA LYS A 106 -3.593 11.082 -0.443 1.00 53.13 H new ATOM 0 HB2 LYS A 106 -5.672 9.433 -0.351 1.00 1.13 H new ATOM 0 HB3 LYS A 106 -5.810 11.095 -0.891 1.00 1.13 H new ATOM 0 HG2 LYS A 106 -6.999 10.041 -2.552 1.00 23.11 H new ATOM 0 HG3 LYS A 106 -5.410 10.057 -3.291 1.00 23.11 H new ATOM 0 HD2 LYS A 106 -6.201 7.861 -3.641 1.00 22.33 H new ATOM 0 HD3 LYS A 106 -5.069 7.709 -2.312 1.00 22.33 H new ATOM 0 HE2 LYS A 106 -7.066 6.421 -1.799 1.00 1.31 H new ATOM 0 HE3 LYS A 106 -6.964 7.777 -0.693 1.00 1.31 H new ATOM 0 HZ1 LYS A 106 -9.178 7.220 -1.924 1.00 75.14 H new ATOM 0 HZ2 LYS A 106 -8.726 8.836 -1.665 1.00 75.14 H new ATOM 0 HZ3 LYS A 106 -8.487 8.121 -3.187 1.00 75.14 H new ATOM 1602 N VAL A 107 -2.339 9.293 0.492 1.00 71.21 N ATOM 1603 CA VAL A 107 -1.539 8.315 1.239 1.00 71.13 C ATOM 1604 C VAL A 107 -2.417 7.483 2.208 1.00 24.20 C ATOM 1605 O VAL A 107 -1.981 6.458 2.750 1.00 41.32 O ATOM 1606 CB VAL A 107 -0.416 9.114 1.981 1.00 71.43 C ATOM 1607 CG1 VAL A 107 0.373 8.307 2.991 1.00 42.40 C ATOM 1608 CG2 VAL A 107 0.545 9.680 0.964 1.00 43.01 C ATOM 0 H VAL A 107 -2.215 10.245 0.837 1.00 71.21 H new ATOM 0 HA VAL A 107 -1.090 7.585 0.566 1.00 71.13 H new ATOM 0 HB VAL A 107 -0.930 9.894 2.543 1.00 71.43 H new ATOM 0 HG11 VAL A 107 1.128 8.942 3.455 1.00 42.40 H new ATOM 0 HG12 VAL A 107 -0.301 7.925 3.758 1.00 42.40 H new ATOM 0 HG13 VAL A 107 0.861 7.472 2.488 1.00 42.40 H new ATOM 0 HG21 VAL A 107 1.329 10.238 1.476 1.00 43.01 H new ATOM 0 HG22 VAL A 107 0.992 8.866 0.393 1.00 43.01 H new ATOM 0 HG23 VAL A 107 0.009 10.346 0.288 1.00 43.01 H new ATOM 1618 N LYS A 108 -3.685 7.906 2.347 1.00 64.43 N ATOM 1619 CA LYS A 108 -4.668 7.278 3.237 1.00 13.31 C ATOM 1620 C LYS A 108 -4.844 5.782 2.938 1.00 42.21 C ATOM 1621 O LYS A 108 -4.913 4.992 3.863 1.00 12.23 O ATOM 1622 CB LYS A 108 -6.008 8.027 3.113 1.00 5.35 C ATOM 1623 CG LYS A 108 -6.936 7.919 4.330 1.00 14.00 C ATOM 1624 CD LYS A 108 -7.833 6.686 4.303 1.00 34.34 C ATOM 1625 CE LYS A 108 -8.885 6.763 3.205 1.00 44.52 C ATOM 1626 NZ LYS A 108 -9.818 7.910 3.394 1.00 32.11 N ATOM 0 H LYS A 108 -4.058 8.706 1.835 1.00 64.43 H new ATOM 0 HA LYS A 108 -4.302 7.347 4.261 1.00 13.31 H new ATOM 0 HB2 LYS A 108 -5.800 9.081 2.928 1.00 5.35 H new ATOM 0 HB3 LYS A 108 -6.537 7.648 2.239 1.00 5.35 H new ATOM 0 HG2 LYS A 108 -6.332 7.899 5.237 1.00 14.00 H new ATOM 0 HG3 LYS A 108 -7.560 8.811 4.382 1.00 14.00 H new ATOM 0 HD2 LYS A 108 -7.221 5.797 4.155 1.00 34.34 H new ATOM 0 HD3 LYS A 108 -8.326 6.576 5.269 1.00 34.34 H new ATOM 0 HE2 LYS A 108 -8.391 6.855 2.238 1.00 44.52 H new ATOM 0 HE3 LYS A 108 -9.455 5.834 3.185 1.00 44.52 H new ATOM 0 HZ1 LYS A 108 -10.653 7.782 2.788 1.00 32.11 H new ATOM 0 HZ2 LYS A 108 -10.116 7.955 4.389 1.00 32.11 H new ATOM 0 HZ3 LYS A 108 -9.336 8.795 3.137 1.00 32.11 H new ATOM 1640 N LYS A 109 -4.842 5.416 1.647 1.00 11.22 N ATOM 1641 CA LYS A 109 -5.015 4.025 1.202 1.00 21.11 C ATOM 1642 C LYS A 109 -3.836 3.127 1.645 1.00 50.02 C ATOM 1643 O LYS A 109 -4.041 1.976 2.018 1.00 41.21 O ATOM 1644 CB LYS A 109 -5.139 4.010 -0.328 1.00 41.50 C ATOM 1645 CG LYS A 109 -5.531 2.667 -0.941 1.00 30.34 C ATOM 1646 CD LYS A 109 -7.036 2.552 -1.129 1.00 51.44 C ATOM 1647 CE LYS A 109 -7.397 1.385 -2.031 1.00 75.34 C ATOM 1648 NZ LYS A 109 -8.742 1.545 -2.649 1.00 11.02 N ATOM 0 H LYS A 109 -4.720 6.078 0.881 1.00 11.22 H new ATOM 0 HA LYS A 109 -5.918 3.623 1.663 1.00 21.11 H new ATOM 0 HB2 LYS A 109 -5.879 4.754 -0.623 1.00 41.50 H new ATOM 0 HB3 LYS A 109 -4.186 4.321 -0.756 1.00 41.50 H new ATOM 0 HG2 LYS A 109 -5.034 2.547 -1.904 1.00 30.34 H new ATOM 0 HG3 LYS A 109 -5.182 1.858 -0.299 1.00 30.34 H new ATOM 0 HD2 LYS A 109 -7.516 2.425 -0.159 1.00 51.44 H new ATOM 0 HD3 LYS A 109 -7.422 3.477 -1.557 1.00 51.44 H new ATOM 0 HE2 LYS A 109 -6.647 1.290 -2.817 1.00 75.34 H new ATOM 0 HE3 LYS A 109 -7.372 0.461 -1.454 1.00 75.34 H new ATOM 0 HZ1 LYS A 109 -9.024 0.652 -3.102 1.00 11.02 H new ATOM 0 HZ2 LYS A 109 -9.434 1.795 -1.914 1.00 11.02 H new ATOM 0 HZ3 LYS A 109 -8.708 2.300 -3.364 1.00 11.02 H new ATOM 1662 N PHE A 110 -2.616 3.682 1.628 1.00 32.53 N ATOM 1663 CA PHE A 110 -1.394 2.946 1.975 1.00 4.11 C ATOM 1664 C PHE A 110 -1.386 2.526 3.443 1.00 41.23 C ATOM 1665 O PHE A 110 -1.256 1.340 3.746 1.00 12.54 O ATOM 1666 CB PHE A 110 -0.142 3.795 1.659 1.00 75.52 C ATOM 1667 CG PHE A 110 1.157 3.164 2.085 1.00 1.01 C ATOM 1668 CD1 PHE A 110 1.710 2.107 1.380 1.00 53.45 C ATOM 1669 CD2 PHE A 110 1.811 3.624 3.212 1.00 13.22 C ATOM 1670 CE1 PHE A 110 2.888 1.520 1.805 1.00 14.42 C ATOM 1671 CE2 PHE A 110 2.985 3.052 3.634 1.00 52.10 C ATOM 1672 CZ PHE A 110 3.525 1.996 2.935 1.00 42.42 C ATOM 0 H PHE A 110 -2.449 4.655 1.373 1.00 32.53 H new ATOM 0 HA PHE A 110 -1.374 2.041 1.368 1.00 4.11 H new ATOM 0 HB2 PHE A 110 -0.106 3.984 0.586 1.00 75.52 H new ATOM 0 HB3 PHE A 110 -0.240 4.763 2.150 1.00 75.52 H new ATOM 0 HD1 PHE A 110 1.218 1.739 0.492 1.00 53.45 H new ATOM 0 HD2 PHE A 110 1.391 4.448 3.770 1.00 13.22 H new ATOM 0 HE1 PHE A 110 3.309 0.691 1.255 1.00 14.42 H new ATOM 0 HE2 PHE A 110 3.485 3.430 4.514 1.00 52.10 H new ATOM 0 HZ PHE A 110 4.445 1.540 3.269 1.00 42.42 H new ATOM 1682 N PHE A 111 -1.530 3.503 4.334 1.00 35.22 N ATOM 1683 CA PHE A 111 -1.477 3.252 5.773 1.00 53.45 C ATOM 1684 C PHE A 111 -2.707 2.485 6.269 1.00 32.12 C ATOM 1685 O PHE A 111 -2.612 1.746 7.244 1.00 34.31 O ATOM 1686 CB PHE A 111 -1.303 4.556 6.549 1.00 2.24 C ATOM 1687 CG PHE A 111 0.119 5.068 6.582 1.00 31.03 C ATOM 1688 CD1 PHE A 111 0.983 4.680 7.593 1.00 11.15 C ATOM 1689 CD2 PHE A 111 0.585 5.947 5.623 1.00 4.41 C ATOM 1690 CE1 PHE A 111 2.280 5.147 7.640 1.00 11.11 C ATOM 1691 CE2 PHE A 111 1.885 6.417 5.663 1.00 31.54 C ATOM 1692 CZ PHE A 111 2.730 6.020 6.677 1.00 44.42 C ATOM 0 H PHE A 111 -1.685 4.480 4.084 1.00 35.22 H new ATOM 0 HA PHE A 111 -0.607 2.622 5.956 1.00 53.45 H new ATOM 0 HB2 PHE A 111 -1.943 5.319 6.105 1.00 2.24 H new ATOM 0 HB3 PHE A 111 -1.648 4.407 7.572 1.00 2.24 H new ATOM 0 HD1 PHE A 111 0.635 4.001 8.357 1.00 11.15 H new ATOM 0 HD2 PHE A 111 -0.075 6.271 4.832 1.00 4.41 H new ATOM 0 HE1 PHE A 111 2.941 4.828 8.432 1.00 11.11 H new ATOM 0 HE2 PHE A 111 2.238 7.095 4.900 1.00 31.54 H new ATOM 0 HZ PHE A 111 3.743 6.393 6.715 1.00 44.42 H new ATOM 1702 N ASP A 112 -3.838 2.640 5.563 1.00 35.51 N ATOM 1703 CA ASP A 112 -5.083 1.910 5.861 1.00 74.33 C ATOM 1704 C ASP A 112 -4.876 0.413 5.701 1.00 35.40 C ATOM 1705 O ASP A 112 -5.199 -0.384 6.582 1.00 11.21 O ATOM 1706 CB ASP A 112 -6.177 2.324 4.884 1.00 4.11 C ATOM 1707 CG ASP A 112 -7.567 2.024 5.396 1.00 51.21 C ATOM 1708 OD1 ASP A 112 -7.988 2.643 6.394 1.00 62.12 O ATOM 1709 OD2 ASP A 112 -8.252 1.170 4.800 1.00 64.54 O ATOM 0 H ASP A 112 -3.916 3.275 4.769 1.00 35.51 H new ATOM 0 HA ASP A 112 -5.368 2.146 6.886 1.00 74.33 H new ATOM 0 HB2 ASP A 112 -6.092 3.392 4.682 1.00 4.11 H new ATOM 0 HB3 ASP A 112 -6.025 1.808 3.936 1.00 4.11 H new ATOM 1714 N LEU A 113 -4.290 0.065 4.570 1.00 40.04 N ATOM 1715 CA LEU A 113 -4.100 -1.310 4.167 1.00 3.35 C ATOM 1716 C LEU A 113 -2.917 -1.964 4.882 1.00 71.53 C ATOM 1717 O LEU A 113 -2.893 -3.180 5.059 1.00 13.23 O ATOM 1718 CB LEU A 113 -3.923 -1.371 2.650 1.00 14.25 C ATOM 1719 CG LEU A 113 -5.192 -1.645 1.828 1.00 31.52 C ATOM 1720 CD1 LEU A 113 -5.859 -2.898 2.336 1.00 13.43 C ATOM 1721 CD2 LEU A 113 -6.174 -0.479 1.858 1.00 42.52 C ATOM 0 H LEU A 113 -3.929 0.742 3.898 1.00 40.04 H new ATOM 0 HA LEU A 113 -4.986 -1.876 4.455 1.00 3.35 H new ATOM 0 HB2 LEU A 113 -3.497 -0.425 2.317 1.00 14.25 H new ATOM 0 HB3 LEU A 113 -3.193 -2.147 2.421 1.00 14.25 H new ATOM 0 HG LEU A 113 -4.888 -1.775 0.789 1.00 31.52 H new ATOM 0 HD11 LEU A 113 -6.759 -3.093 1.753 1.00 13.43 H new ATOM 0 HD12 LEU A 113 -5.174 -3.740 2.238 1.00 13.43 H new ATOM 0 HD13 LEU A 113 -6.127 -2.768 3.385 1.00 13.43 H new ATOM 0 HD21 LEU A 113 -7.052 -0.727 1.261 1.00 42.52 H new ATOM 0 HD22 LEU A 113 -6.478 -0.285 2.887 1.00 42.52 H new ATOM 0 HD23 LEU A 113 -5.696 0.410 1.448 1.00 42.52 H new ATOM 1733 N ALA A 114 -1.946 -1.148 5.288 1.00 61.33 N ATOM 1734 CA ALA A 114 -0.832 -1.614 6.109 1.00 40.04 C ATOM 1735 C ALA A 114 -1.290 -2.015 7.523 1.00 15.12 C ATOM 1736 O ALA A 114 -0.723 -2.926 8.122 1.00 51.41 O ATOM 1737 CB ALA A 114 0.243 -0.546 6.166 1.00 74.12 C ATOM 0 H ALA A 114 -1.909 -0.155 5.059 1.00 61.33 H new ATOM 0 HA ALA A 114 -0.419 -2.510 5.646 1.00 40.04 H new ATOM 0 HB1 ALA A 114 1.073 -0.897 6.780 1.00 74.12 H new ATOM 0 HB2 ALA A 114 0.601 -0.336 5.158 1.00 74.12 H new ATOM 0 HB3 ALA A 114 -0.171 0.364 6.601 1.00 74.12 H new ATOM 1743 N GLN A 115 -2.335 -1.336 8.032 1.00 2.24 N ATOM 1744 CA GLN A 115 -2.966 -1.683 9.322 1.00 70.34 C ATOM 1745 C GLN A 115 -3.714 -3.011 9.231 1.00 21.44 C ATOM 1746 O GLN A 115 -3.719 -3.810 10.172 1.00 63.55 O ATOM 1747 CB GLN A 115 -3.960 -0.600 9.746 1.00 61.03 C ATOM 1748 CG GLN A 115 -3.323 0.678 10.241 1.00 32.33 C ATOM 1749 CD GLN A 115 -4.335 1.793 10.419 1.00 32.13 C ATOM 1750 OE1 GLN A 115 -4.953 1.924 11.472 1.00 15.10 O ATOM 1751 NE2 GLN A 115 -4.490 2.620 9.403 1.00 2.53 N ATOM 0 H GLN A 115 -2.764 -0.537 7.566 1.00 2.24 H new ATOM 0 HA GLN A 115 -2.166 -1.765 10.058 1.00 70.34 H new ATOM 0 HB2 GLN A 115 -4.605 -0.365 8.899 1.00 61.03 H new ATOM 0 HB3 GLN A 115 -4.600 -1.000 10.532 1.00 61.03 H new ATOM 0 HG2 GLN A 115 -2.824 0.488 11.191 1.00 32.33 H new ATOM 0 HG3 GLN A 115 -2.555 0.996 9.535 1.00 32.33 H new ATOM 0 HE21 GLN A 115 -3.958 2.478 8.544 1.00 2.53 H new ATOM 0 HE22 GLN A 115 -5.142 3.401 9.476 1.00 2.53 H new ATOM 1760 N LYS A 116 -4.323 -3.234 8.069 1.00 42.22 N ATOM 1761 CA LYS A 116 -5.128 -4.418 7.788 1.00 44.50 C ATOM 1762 C LYS A 116 -4.262 -5.675 7.602 1.00 60.12 C ATOM 1763 O LYS A 116 -4.756 -6.791 7.733 1.00 71.20 O ATOM 1764 CB LYS A 116 -6.024 -4.160 6.571 1.00 71.33 C ATOM 1765 CG LYS A 116 -7.180 -3.207 6.864 1.00 41.02 C ATOM 1766 CD LYS A 116 -7.841 -2.679 5.593 1.00 31.52 C ATOM 1767 CE LYS A 116 -8.523 -3.775 4.777 1.00 51.32 C ATOM 1768 NZ LYS A 116 -9.689 -4.367 5.479 1.00 41.11 N ATOM 0 H LYS A 116 -4.270 -2.586 7.284 1.00 42.22 H new ATOM 0 HA LYS A 116 -5.763 -4.612 8.652 1.00 44.50 H new ATOM 0 HB2 LYS A 116 -5.419 -3.748 5.763 1.00 71.33 H new ATOM 0 HB3 LYS A 116 -6.426 -5.109 6.216 1.00 71.33 H new ATOM 0 HG2 LYS A 116 -7.926 -3.721 7.470 1.00 41.02 H new ATOM 0 HG3 LYS A 116 -6.813 -2.367 7.454 1.00 41.02 H new ATOM 0 HD2 LYS A 116 -8.577 -1.921 5.861 1.00 31.52 H new ATOM 0 HD3 LYS A 116 -7.089 -2.188 4.975 1.00 31.52 H new ATOM 0 HE2 LYS A 116 -8.849 -3.362 3.822 1.00 51.32 H new ATOM 0 HE3 LYS A 116 -7.800 -4.560 4.554 1.00 51.32 H new ATOM 0 HZ1 LYS A 116 -10.176 -5.031 4.844 1.00 41.11 H new ATOM 0 HZ2 LYS A 116 -9.363 -4.874 6.327 1.00 41.11 H new ATOM 0 HZ3 LYS A 116 -10.346 -3.611 5.759 1.00 41.11 H new ATOM 1782 N ALA A 117 -2.988 -5.493 7.238 1.00 1.32 N ATOM 1783 CA ALA A 117 -2.043 -6.605 7.108 1.00 1.44 C ATOM 1784 C ALA A 117 -1.716 -7.242 8.463 1.00 32.02 C ATOM 1785 O ALA A 117 -1.474 -8.446 8.556 1.00 31.43 O ATOM 1786 CB ALA A 117 -0.765 -6.112 6.444 1.00 70.50 C ATOM 0 H ALA A 117 -2.587 -4.579 7.027 1.00 1.32 H new ATOM 0 HA ALA A 117 -2.512 -7.372 6.491 1.00 1.44 H new ATOM 0 HB1 ALA A 117 -0.062 -6.940 6.348 1.00 70.50 H new ATOM 0 HB2 ALA A 117 -0.998 -5.717 5.455 1.00 70.50 H new ATOM 0 HB3 ALA A 117 -0.318 -5.326 7.053 1.00 70.50 H new ATOM 1792 N LEU A 118 -1.746 -6.431 9.516 1.00 34.33 N ATOM 1793 CA LEU A 118 -1.289 -6.853 10.834 1.00 30.12 C ATOM 1794 C LEU A 118 -2.443 -6.986 11.830 1.00 40.42 C ATOM 1795 O LEU A 118 -2.221 -7.019 13.044 1.00 11.54 O ATOM 1796 CB LEU A 118 -0.275 -5.836 11.324 1.00 35.11 C ATOM 1797 CG LEU A 118 0.883 -5.610 10.364 1.00 43.03 C ATOM 1798 CD1 LEU A 118 1.331 -4.181 10.434 1.00 22.05 C ATOM 1799 CD2 LEU A 118 2.027 -6.549 10.675 1.00 53.24 C ATOM 0 H LEU A 118 -2.085 -5.470 9.480 1.00 34.33 H new ATOM 0 HA LEU A 118 -0.837 -7.842 10.755 1.00 30.12 H new ATOM 0 HB2 LEU A 118 -0.782 -4.886 11.497 1.00 35.11 H new ATOM 0 HB3 LEU A 118 0.121 -6.166 12.285 1.00 35.11 H new ATOM 0 HG LEU A 118 0.545 -5.821 9.349 1.00 43.03 H new ATOM 0 HD11 LEU A 118 2.161 -4.026 9.744 1.00 22.05 H new ATOM 0 HD12 LEU A 118 0.504 -3.526 10.160 1.00 22.05 H new ATOM 0 HD13 LEU A 118 1.655 -3.951 11.449 1.00 22.05 H new ATOM 0 HD21 LEU A 118 2.845 -6.370 9.977 1.00 53.24 H new ATOM 0 HD22 LEU A 118 2.375 -6.374 11.693 1.00 53.24 H new ATOM 0 HD23 LEU A 118 1.687 -7.580 10.580 1.00 53.24 H new ATOM 1811 N LYS A 119 -3.670 -7.082 11.304 1.00 43.43 N ATOM 1812 CA LYS A 119 -4.882 -7.233 12.131 1.00 40.11 C ATOM 1813 C LYS A 119 -4.915 -8.578 12.885 1.00 61.43 C ATOM 1814 O LYS A 119 -5.366 -8.638 14.029 1.00 50.15 O ATOM 1815 CB LYS A 119 -6.143 -7.050 11.269 1.00 75.43 C ATOM 1816 CG LYS A 119 -6.273 -8.033 10.108 1.00 44.32 C ATOM 1817 CD LYS A 119 -7.591 -8.790 10.111 1.00 61.41 C ATOM 1818 CE LYS A 119 -8.789 -7.899 9.817 1.00 32.52 C ATOM 1819 NZ LYS A 119 -10.037 -8.696 9.707 1.00 11.42 N ATOM 0 H LYS A 119 -3.854 -7.058 10.301 1.00 43.43 H new ATOM 0 HA LYS A 119 -4.859 -6.451 12.890 1.00 40.11 H new ATOM 0 HB2 LYS A 119 -7.020 -7.147 11.909 1.00 75.43 H new ATOM 0 HB3 LYS A 119 -6.149 -6.036 10.870 1.00 75.43 H new ATOM 0 HG2 LYS A 119 -6.175 -7.490 9.168 1.00 44.32 H new ATOM 0 HG3 LYS A 119 -5.451 -8.747 10.151 1.00 44.32 H new ATOM 0 HD2 LYS A 119 -7.547 -9.587 9.369 1.00 61.41 H new ATOM 0 HD3 LYS A 119 -7.728 -9.265 11.082 1.00 61.41 H new ATOM 0 HE2 LYS A 119 -8.897 -7.157 10.608 1.00 32.52 H new ATOM 0 HE3 LYS A 119 -8.620 -7.353 8.889 1.00 32.52 H new ATOM 0 HZ1 LYS A 119 -10.837 -8.062 9.506 1.00 11.42 H new ATOM 0 HZ2 LYS A 119 -9.941 -9.387 8.936 1.00 11.42 H new ATOM 0 HZ3 LYS A 119 -10.209 -9.197 10.602 1.00 11.42 H new ATOM 1833 N ASP A 120 -4.436 -9.646 12.244 1.00 61.11 N ATOM 1834 CA ASP A 120 -4.260 -10.935 12.914 1.00 20.35 C ATOM 1835 C ASP A 120 -2.844 -11.038 13.447 1.00 21.12 C ATOM 1836 O ASP A 120 -2.600 -11.687 14.470 1.00 13.34 O ATOM 1837 CB ASP A 120 -4.505 -12.117 11.961 1.00 51.00 C ATOM 1838 CG ASP A 120 -5.909 -12.182 11.403 1.00 22.02 C ATOM 1839 OD1 ASP A 120 -6.800 -12.738 12.069 1.00 3.13 O ATOM 1840 OD2 ASP A 120 -6.118 -11.701 10.275 1.00 4.35 O ATOM 0 H ASP A 120 -4.163 -9.643 11.261 1.00 61.11 H new ATOM 0 HA ASP A 120 -4.989 -10.984 13.723 1.00 20.35 H new ATOM 0 HB2 ASP A 120 -3.799 -12.054 11.133 1.00 51.00 H new ATOM 0 HB3 ASP A 120 -4.293 -13.046 12.490 1.00 51.00 H new ATOM 1845 N ALA A 121 -1.925 -10.355 12.726 1.00 23.34 N ATOM 1846 CA ALA A 121 -0.461 -10.454 12.894 1.00 42.23 C ATOM 1847 C ALA A 121 0.058 -11.903 12.784 1.00 61.45 C ATOM 1848 O ALA A 121 1.129 -12.234 13.299 1.00 51.32 O ATOM 1849 CB ALA A 121 -0.018 -9.792 14.197 1.00 1.45 C ATOM 0 H ALA A 121 -2.192 -9.701 11.990 1.00 23.34 H new ATOM 0 HA ALA A 121 -0.008 -9.910 12.065 1.00 42.23 H new ATOM 0 HB1 ALA A 121 1.064 -9.877 14.299 1.00 1.45 H new ATOM 0 HB2 ALA A 121 -0.299 -8.739 14.184 1.00 1.45 H new ATOM 0 HB3 ALA A 121 -0.502 -10.286 15.039 1.00 1.45 H new ATOM 1855 N GLU A 122 -0.702 -12.748 12.073 1.00 3.44 N ATOM 1856 CA GLU A 122 -0.333 -14.139 11.809 1.00 4.00 C ATOM 1857 C GLU A 122 -0.647 -14.488 10.346 1.00 2.35 C ATOM 1858 O GLU A 122 -0.762 -15.659 9.987 1.00 11.03 O ATOM 1859 CB GLU A 122 -1.091 -15.111 12.741 1.00 41.34 C ATOM 1860 CG GLU A 122 -0.780 -14.947 14.222 1.00 21.32 C ATOM 1861 CD GLU A 122 -1.327 -16.078 15.070 1.00 10.04 C ATOM 1862 OE1 GLU A 122 -2.546 -16.108 15.323 1.00 0.31 O ATOM 1863 OE2 GLU A 122 -0.532 -16.948 15.487 1.00 3.21 O ATOM 0 H GLU A 122 -1.597 -12.479 11.663 1.00 3.44 H new ATOM 0 HA GLU A 122 0.735 -14.246 11.999 1.00 4.00 H new ATOM 0 HB2 GLU A 122 -2.162 -14.975 12.592 1.00 41.34 H new ATOM 0 HB3 GLU A 122 -0.856 -16.133 12.446 1.00 41.34 H new ATOM 0 HG2 GLU A 122 0.300 -14.889 14.357 1.00 21.32 H new ATOM 0 HG3 GLU A 122 -1.196 -14.003 14.573 1.00 21.32 H new ATOM 1870 N LYS A 123 -0.753 -13.454 9.504 1.00 24.22 N ATOM 1871 CA LYS A 123 -1.165 -13.612 8.103 1.00 42.45 C ATOM 1872 C LYS A 123 0.038 -13.904 7.203 1.00 24.50 C ATOM 1873 O LYS A 123 0.550 -13.018 6.511 1.00 22.43 O ATOM 1874 CB LYS A 123 -1.886 -12.350 7.600 1.00 1.23 C ATOM 1875 CG LYS A 123 -2.940 -11.814 8.556 1.00 72.33 C ATOM 1876 CD LYS A 123 -3.832 -10.761 7.907 1.00 52.20 C ATOM 1877 CE LYS A 123 -4.757 -11.363 6.852 1.00 32.10 C ATOM 1878 NZ LYS A 123 -5.648 -12.414 7.420 1.00 62.42 N ATOM 0 H LYS A 123 -0.557 -12.489 9.771 1.00 24.22 H new ATOM 0 HA LYS A 123 -1.851 -14.458 8.059 1.00 42.45 H new ATOM 0 HB2 LYS A 123 -1.146 -11.570 7.418 1.00 1.23 H new ATOM 0 HB3 LYS A 123 -2.358 -12.572 6.643 1.00 1.23 H new ATOM 0 HG2 LYS A 123 -3.557 -12.639 8.912 1.00 72.33 H new ATOM 0 HG3 LYS A 123 -2.449 -11.383 9.429 1.00 72.33 H new ATOM 0 HD2 LYS A 123 -4.430 -10.270 8.675 1.00 52.20 H new ATOM 0 HD3 LYS A 123 -3.210 -9.993 7.447 1.00 52.20 H new ATOM 0 HE2 LYS A 123 -5.365 -10.573 6.411 1.00 32.10 H new ATOM 0 HE3 LYS A 123 -4.159 -11.792 6.048 1.00 32.10 H new ATOM 0 HZ1 LYS A 123 -6.548 -12.424 6.899 1.00 62.42 H new ATOM 0 HZ2 LYS A 123 -5.188 -13.343 7.334 1.00 62.42 H new ATOM 0 HZ3 LYS A 123 -5.830 -12.209 8.423 1.00 62.42 H new