USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 780 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 116 LYS NZ :NH3+ 173:sc= 1.23 (180deg=1.15) USER MOD Set 1.2: A 124 ASN : amide:sc= -0.848 K(o=0.38,f=-1.1) USER MOD Set 2.1: A 10 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 121 ASN : amide:sc= -0.155 K(o=-0.15,f=-1.7!) USER MOD Single : A 5 THR OG1 : rot 41:sc= 0.0023 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -153:sc= -0.372 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -4.01! K(o=-4!,f=-0.84) USER MOD Single : A 19 GLN : amide:sc= -2.24! K(o=-2.2!,f=-0.88) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 30:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 162:sc= 2.37 (180deg=2.24) USER MOD Single : A 31 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0209) USER MOD Single : A 33 HIS : no HE2:sc= -0.324 K(o=-0.32,f=-1.3) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot -77:sc= 0.126 USER MOD Single : A 48 MET CE :methyl -158:sc= -0.179 (180deg=-0.919) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0.13) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 168:sc= -0.0126 (180deg=-0.172) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=-0.00017) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 126 TYR OH : rot -80:sc= 0.539 USER MOD Single : A 129 MET CE :methyl -160:sc= -0.18 (180deg=-0.782) USER MOD Single : A 130 LYS NZ :NH3+ -116:sc= 2.13 (180deg=0.794) USER MOD Single : A 132 LYS NZ :NH3+ 178:sc= 1.24 (180deg=1.17) USER MOD Single : A 133 SER OG : rot 75:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 32 N ASP A 3 -15.022 14.145 -1.769 1.00 53.50 N ATOM 33 CA ASP A 3 -14.141 14.102 -2.918 1.00 73.31 C ATOM 34 C ASP A 3 -14.511 12.934 -3.815 1.00 64.15 C ATOM 35 O ASP A 3 -14.146 11.787 -3.551 1.00 62.52 O ATOM 36 CB ASP A 3 -12.680 13.995 -2.468 1.00 1.31 C ATOM 37 CG ASP A 3 -12.197 15.235 -1.731 1.00 22.23 C ATOM 38 OD1 ASP A 3 -11.689 16.164 -2.393 1.00 11.22 O ATOM 39 OD2 ASP A 3 -12.316 15.287 -0.479 1.00 65.23 O ATOM 0 HA ASP A 3 -14.257 15.026 -3.484 1.00 73.31 H new ATOM 0 HB2 ASP A 3 -12.567 13.126 -1.820 1.00 1.31 H new ATOM 0 HB3 ASP A 3 -12.048 13.827 -3.340 1.00 1.31 H new ATOM 44 N ARG A 4 -15.262 13.233 -4.861 1.00 3.42 N ATOM 45 CA ARG A 4 -15.734 12.215 -5.790 1.00 44.31 C ATOM 46 C ARG A 4 -14.751 12.005 -6.923 1.00 14.40 C ATOM 47 O ARG A 4 -14.685 10.930 -7.516 1.00 33.22 O ATOM 48 CB ARG A 4 -17.090 12.609 -6.370 1.00 54.01 C ATOM 49 CG ARG A 4 -18.247 12.457 -5.403 1.00 44.31 C ATOM 50 CD ARG A 4 -19.536 12.973 -6.014 1.00 20.43 C ATOM 51 NE ARG A 4 -20.710 12.577 -5.244 1.00 13.00 N ATOM 52 CZ ARG A 4 -21.513 13.428 -4.612 1.00 13.42 C ATOM 53 NH1 ARG A 4 -21.236 14.726 -4.589 1.00 51.43 N ATOM 54 NH2 ARG A 4 -22.587 12.972 -3.983 1.00 23.15 N ATOM 0 H ARG A 4 -15.561 14.181 -5.091 1.00 3.42 H new ATOM 0 HA ARG A 4 -15.830 11.284 -5.232 1.00 44.31 H new ATOM 0 HB2 ARG A 4 -17.043 13.646 -6.703 1.00 54.01 H new ATOM 0 HB3 ARG A 4 -17.286 12.000 -7.252 1.00 54.01 H new ATOM 0 HG2 ARG A 4 -18.363 11.408 -5.131 1.00 44.31 H new ATOM 0 HG3 ARG A 4 -18.032 13.002 -4.484 1.00 44.31 H new ATOM 0 HD2 ARG A 4 -19.496 14.060 -6.078 1.00 20.43 H new ATOM 0 HD3 ARG A 4 -19.629 12.597 -7.033 1.00 20.43 H new ATOM 0 HE ARG A 4 -20.929 11.583 -5.187 1.00 13.00 H new ATOM 0 HH11 ARG A 4 -20.402 15.078 -5.059 1.00 51.43 H new ATOM 0 HH12 ARG A 4 -21.858 15.372 -4.102 1.00 51.43 H new ATOM 0 HH21 ARG A 4 -22.794 11.973 -3.985 1.00 23.15 H new ATOM 0 HH22 ARG A 4 -23.207 13.620 -3.496 1.00 23.15 H new ATOM 68 N THR A 5 -13.984 13.031 -7.205 1.00 32.22 N ATOM 69 CA THR A 5 -13.035 12.987 -8.301 1.00 41.40 C ATOM 70 C THR A 5 -11.613 12.854 -7.785 1.00 62.34 C ATOM 71 O THR A 5 -11.145 13.697 -7.017 1.00 43.52 O ATOM 72 CB THR A 5 -13.151 14.226 -9.208 1.00 13.33 C ATOM 73 OG1 THR A 5 -13.308 15.417 -8.419 1.00 41.30 O ATOM 74 CG2 THR A 5 -14.321 14.083 -10.168 1.00 63.11 C ATOM 0 H THR A 5 -13.996 13.912 -6.691 1.00 32.22 H new ATOM 0 HA THR A 5 -13.278 12.107 -8.897 1.00 41.40 H new ATOM 0 HB THR A 5 -12.231 14.306 -9.788 1.00 13.33 H new ATOM 0 HG1 THR A 5 -12.714 15.375 -7.641 1.00 41.30 H new ATOM 0 HG21 THR A 5 -14.384 14.969 -10.799 1.00 63.11 H new ATOM 0 HG22 THR A 5 -14.173 13.202 -10.793 1.00 63.11 H new ATOM 0 HG23 THR A 5 -15.246 13.975 -9.601 1.00 63.11 H new ATOM 82 N GLU A 6 -10.950 11.783 -8.214 1.00 21.12 N ATOM 83 CA GLU A 6 -9.593 11.454 -7.790 1.00 52.05 C ATOM 84 C GLU A 6 -9.564 11.059 -6.321 1.00 5.11 C ATOM 85 O GLU A 6 -9.722 11.899 -5.438 1.00 72.42 O ATOM 86 CB GLU A 6 -8.613 12.617 -8.019 1.00 62.10 C ATOM 87 CG GLU A 6 -7.211 12.316 -7.504 1.00 64.04 C ATOM 88 CD GLU A 6 -6.308 13.530 -7.480 1.00 55.21 C ATOM 89 OE1 GLU A 6 -6.446 14.366 -6.558 1.00 31.13 O ATOM 90 OE2 GLU A 6 -5.447 13.648 -8.375 1.00 11.45 O ATOM 0 H GLU A 6 -11.345 11.112 -8.873 1.00 21.12 H new ATOM 0 HA GLU A 6 -9.274 10.612 -8.404 1.00 52.05 H new ATOM 0 HB2 GLU A 6 -8.564 12.840 -9.085 1.00 62.10 H new ATOM 0 HB3 GLU A 6 -8.994 13.510 -7.523 1.00 62.10 H new ATOM 0 HG2 GLU A 6 -7.282 11.905 -6.497 1.00 64.04 H new ATOM 0 HG3 GLU A 6 -6.758 11.548 -8.131 1.00 64.04 H new ATOM 97 N TYR A 7 -9.388 9.780 -6.053 1.00 30.31 N ATOM 98 CA TYR A 7 -9.089 9.358 -4.706 1.00 30.05 C ATOM 99 C TYR A 7 -7.589 9.462 -4.499 1.00 61.55 C ATOM 100 O TYR A 7 -6.811 9.274 -5.439 1.00 11.30 O ATOM 101 CB TYR A 7 -9.575 7.935 -4.422 1.00 72.11 C ATOM 102 CG TYR A 7 -9.525 7.586 -2.948 1.00 55.44 C ATOM 103 CD1 TYR A 7 -10.506 8.048 -2.079 1.00 22.34 C ATOM 104 CD2 TYR A 7 -8.490 6.822 -2.421 1.00 0.44 C ATOM 105 CE1 TYR A 7 -10.460 7.755 -0.730 1.00 63.52 C ATOM 106 CE2 TYR A 7 -8.437 6.529 -1.071 1.00 4.04 C ATOM 107 CZ TYR A 7 -9.425 6.997 -0.230 1.00 44.33 C ATOM 108 OH TYR A 7 -9.377 6.707 1.115 1.00 34.42 O ATOM 0 H TYR A 7 -9.446 9.028 -6.740 1.00 30.31 H new ATOM 0 HA TYR A 7 -9.618 10.007 -4.008 1.00 30.05 H new ATOM 0 HB2 TYR A 7 -10.598 7.825 -4.783 1.00 72.11 H new ATOM 0 HB3 TYR A 7 -8.962 7.227 -4.980 1.00 72.11 H new ATOM 0 HD1 TYR A 7 -11.318 8.646 -2.465 1.00 22.34 H new ATOM 0 HD2 TYR A 7 -7.715 6.452 -3.076 1.00 0.44 H new ATOM 0 HE1 TYR A 7 -11.233 8.119 -0.070 1.00 63.52 H new ATOM 0 HE2 TYR A 7 -7.625 5.936 -0.676 1.00 4.04 H new ATOM 0 HH TYR A 7 -8.584 6.163 1.304 1.00 34.42 H new ATOM 118 N ASP A 8 -7.192 9.759 -3.283 1.00 33.31 N ATOM 119 CA ASP A 8 -5.800 9.994 -2.968 1.00 55.41 C ATOM 120 C ASP A 8 -5.038 8.683 -2.835 1.00 24.22 C ATOM 121 O ASP A 8 -5.185 7.952 -1.860 1.00 74.45 O ATOM 122 CB ASP A 8 -5.690 10.834 -1.690 1.00 61.24 C ATOM 123 CG ASP A 8 -6.671 10.426 -0.602 1.00 32.41 C ATOM 124 OD1 ASP A 8 -7.897 10.456 -0.852 1.00 20.43 O ATOM 125 OD2 ASP A 8 -6.226 10.103 0.512 1.00 2.12 O ATOM 0 H ASP A 8 -7.822 9.845 -2.486 1.00 33.31 H new ATOM 0 HA ASP A 8 -5.345 10.549 -3.788 1.00 55.41 H new ATOM 0 HB2 ASP A 8 -4.675 10.754 -1.300 1.00 61.24 H new ATOM 0 HB3 ASP A 8 -5.854 11.882 -1.940 1.00 61.24 H new ATOM 130 N VAL A 9 -4.249 8.375 -3.858 1.00 11.51 N ATOM 131 CA VAL A 9 -3.487 7.137 -3.903 1.00 4.12 C ATOM 132 C VAL A 9 -2.020 7.407 -4.247 1.00 11.45 C ATOM 133 O VAL A 9 -1.719 8.138 -5.194 1.00 51.32 O ATOM 134 CB VAL A 9 -4.073 6.153 -4.942 1.00 24.52 C ATOM 135 CG1 VAL A 9 -3.300 4.842 -4.947 1.00 52.41 C ATOM 136 CG2 VAL A 9 -5.552 5.905 -4.679 1.00 4.55 C ATOM 0 H VAL A 9 -4.121 8.974 -4.674 1.00 11.51 H new ATOM 0 HA VAL A 9 -3.551 6.689 -2.911 1.00 4.12 H new ATOM 0 HB VAL A 9 -3.974 6.608 -5.928 1.00 24.52 H new ATOM 0 HG11 VAL A 9 -3.732 4.168 -5.686 1.00 52.41 H new ATOM 0 HG12 VAL A 9 -2.257 5.035 -5.198 1.00 52.41 H new ATOM 0 HG13 VAL A 9 -3.356 4.383 -3.960 1.00 52.41 H new ATOM 0 HG21 VAL A 9 -5.942 5.210 -5.422 1.00 4.55 H new ATOM 0 HG22 VAL A 9 -5.678 5.480 -3.683 1.00 4.55 H new ATOM 0 HG23 VAL A 9 -6.096 6.847 -4.743 1.00 4.55 H new ATOM 146 N TYR A 10 -1.116 6.835 -3.463 1.00 23.42 N ATOM 147 CA TYR A 10 0.313 6.906 -3.743 1.00 74.04 C ATOM 148 C TYR A 10 0.989 5.686 -3.124 1.00 4.21 C ATOM 149 O TYR A 10 0.650 5.290 -2.013 1.00 43.15 O ATOM 150 CB TYR A 10 0.903 8.204 -3.176 1.00 1.31 C ATOM 151 CG TYR A 10 2.172 8.664 -3.865 1.00 3.43 C ATOM 152 CD1 TYR A 10 2.180 8.934 -5.227 1.00 51.45 C ATOM 153 CD2 TYR A 10 3.349 8.854 -3.152 1.00 30.35 C ATOM 154 CE1 TYR A 10 3.324 9.381 -5.862 1.00 73.51 C ATOM 155 CE2 TYR A 10 4.501 9.298 -3.781 1.00 31.03 C ATOM 156 CZ TYR A 10 4.482 9.560 -5.137 1.00 61.12 C ATOM 157 OH TYR A 10 5.623 10.013 -5.767 1.00 3.52 O ATOM 0 H TYR A 10 -1.350 6.311 -2.619 1.00 23.42 H new ATOM 0 HA TYR A 10 0.483 6.909 -4.820 1.00 74.04 H new ATOM 0 HB2 TYR A 10 0.155 8.993 -3.252 1.00 1.31 H new ATOM 0 HB3 TYR A 10 1.110 8.063 -2.115 1.00 1.31 H new ATOM 0 HD1 TYR A 10 1.276 8.792 -5.801 1.00 51.45 H new ATOM 0 HD2 TYR A 10 3.366 8.653 -2.091 1.00 30.35 H new ATOM 0 HE1 TYR A 10 3.310 9.589 -6.922 1.00 73.51 H new ATOM 0 HE2 TYR A 10 5.409 9.439 -3.214 1.00 31.03 H new ATOM 0 HH TYR A 10 6.350 10.086 -5.114 1.00 3.52 H new ATOM 167 N THR A 11 1.915 5.072 -3.836 1.00 2.32 N ATOM 168 CA THR A 11 2.513 3.834 -3.361 1.00 13.31 C ATOM 169 C THR A 11 3.956 3.700 -3.822 1.00 42.32 C ATOM 170 O THR A 11 4.352 4.281 -4.835 1.00 4.04 O ATOM 171 CB THR A 11 1.701 2.610 -3.851 1.00 2.24 C ATOM 172 OG1 THR A 11 2.203 1.396 -3.275 1.00 31.03 O ATOM 173 CG2 THR A 11 1.739 2.500 -5.368 1.00 44.11 C ATOM 0 H THR A 11 2.267 5.403 -4.734 1.00 2.32 H new ATOM 0 HA THR A 11 2.498 3.866 -2.272 1.00 13.31 H new ATOM 0 HB THR A 11 0.669 2.757 -3.531 1.00 2.24 H new ATOM 0 HG1 THR A 11 1.673 0.637 -3.598 1.00 31.03 H new ATOM 0 HG21 THR A 11 1.161 1.632 -5.684 1.00 44.11 H new ATOM 0 HG22 THR A 11 1.312 3.401 -5.809 1.00 44.11 H new ATOM 0 HG23 THR A 11 2.772 2.388 -5.699 1.00 44.11 H new ATOM 181 N ASP A 12 4.735 2.944 -3.062 1.00 61.23 N ATOM 182 CA ASP A 12 6.088 2.606 -3.459 1.00 54.33 C ATOM 183 C ASP A 12 6.108 1.166 -3.959 1.00 51.42 C ATOM 184 O ASP A 12 5.089 0.469 -3.900 1.00 34.13 O ATOM 185 CB ASP A 12 7.071 2.816 -2.286 1.00 3.34 C ATOM 186 CG ASP A 12 7.612 1.524 -1.694 1.00 3.21 C ATOM 187 OD1 ASP A 12 6.969 0.970 -0.777 1.00 61.32 O ATOM 188 OD2 ASP A 12 8.692 1.072 -2.147 1.00 32.51 O ATOM 0 H ASP A 12 4.449 2.553 -2.164 1.00 61.23 H new ATOM 0 HA ASP A 12 6.412 3.264 -4.265 1.00 54.33 H new ATOM 0 HB2 ASP A 12 7.907 3.424 -2.631 1.00 3.34 H new ATOM 0 HB3 ASP A 12 6.568 3.381 -1.501 1.00 3.34 H new ATOM 193 N GLY A 13 7.242 0.739 -4.486 1.00 52.32 N ATOM 194 CA GLY A 13 7.380 -0.623 -4.947 1.00 25.53 C ATOM 195 C GLY A 13 8.819 -0.961 -5.254 1.00 43.33 C ATOM 196 O GLY A 13 9.110 -1.647 -6.235 1.00 1.31 O ATOM 0 H GLY A 13 8.075 1.316 -4.603 1.00 52.32 H new ATOM 0 HA2 GLY A 13 6.999 -1.306 -4.187 1.00 25.53 H new ATOM 0 HA3 GLY A 13 6.772 -0.769 -5.840 1.00 25.53 H new ATOM 200 N SER A 14 9.727 -0.472 -4.426 1.00 72.22 N ATOM 201 CA SER A 14 11.144 -0.663 -4.668 1.00 23.51 C ATOM 202 C SER A 14 11.841 -1.248 -3.444 1.00 72.45 C ATOM 203 O SER A 14 11.934 -0.603 -2.401 1.00 71.41 O ATOM 204 CB SER A 14 11.784 0.665 -5.067 1.00 75.54 C ATOM 205 OG SER A 14 11.152 1.200 -6.221 1.00 75.34 O ATOM 0 H SER A 14 9.507 0.059 -3.583 1.00 72.22 H new ATOM 0 HA SER A 14 11.261 -1.375 -5.485 1.00 23.51 H new ATOM 0 HB2 SER A 14 11.707 1.374 -4.243 1.00 75.54 H new ATOM 0 HB3 SER A 14 12.846 0.518 -5.263 1.00 75.54 H new ATOM 0 HG SER A 14 11.786 1.768 -6.707 1.00 75.34 H new ATOM 211 N TYR A 15 12.314 -2.482 -3.585 1.00 70.54 N ATOM 212 CA TYR A 15 13.072 -3.142 -2.534 1.00 21.30 C ATOM 213 C TYR A 15 14.310 -2.321 -2.177 1.00 13.44 C ATOM 214 O TYR A 15 15.146 -2.024 -3.035 1.00 74.32 O ATOM 215 CB TYR A 15 13.468 -4.565 -2.971 1.00 73.10 C ATOM 216 CG TYR A 15 14.140 -4.629 -4.330 1.00 65.41 C ATOM 217 CD1 TYR A 15 13.386 -4.693 -5.495 1.00 61.32 C ATOM 218 CD2 TYR A 15 15.525 -4.615 -4.445 1.00 51.00 C ATOM 219 CE1 TYR A 15 13.991 -4.736 -6.738 1.00 34.32 C ATOM 220 CE2 TYR A 15 16.138 -4.661 -5.682 1.00 14.04 C ATOM 221 CZ TYR A 15 15.367 -4.722 -6.826 1.00 55.04 C ATOM 222 OH TYR A 15 15.982 -4.758 -8.063 1.00 33.11 O ATOM 0 H TYR A 15 12.183 -3.047 -4.424 1.00 70.54 H new ATOM 0 HA TYR A 15 12.444 -3.219 -1.646 1.00 21.30 H new ATOM 0 HB2 TYR A 15 14.140 -4.989 -2.225 1.00 73.10 H new ATOM 0 HB3 TYR A 15 12.575 -5.190 -2.989 1.00 73.10 H new ATOM 0 HD1 TYR A 15 12.308 -4.709 -5.429 1.00 61.32 H new ATOM 0 HD2 TYR A 15 16.132 -4.567 -3.553 1.00 51.00 H new ATOM 0 HE1 TYR A 15 13.390 -4.780 -7.634 1.00 34.32 H new ATOM 0 HE2 TYR A 15 17.216 -4.649 -5.754 1.00 14.04 H new ATOM 0 HH TYR A 15 16.955 -4.741 -7.945 1.00 33.11 H new ATOM 232 N VAL A 16 14.418 -1.941 -0.915 1.00 32.33 N ATOM 233 CA VAL A 16 15.510 -1.094 -0.470 1.00 1.10 C ATOM 234 C VAL A 16 16.568 -1.915 0.270 1.00 12.30 C ATOM 235 O VAL A 16 16.253 -2.679 1.181 1.00 53.24 O ATOM 236 CB VAL A 16 14.997 0.069 0.418 1.00 42.34 C ATOM 237 CG1 VAL A 16 14.313 -0.444 1.680 1.00 12.34 C ATOM 238 CG2 VAL A 16 16.129 1.026 0.760 1.00 73.52 C ATOM 0 H VAL A 16 13.762 -2.206 -0.180 1.00 32.33 H new ATOM 0 HA VAL A 16 15.972 -0.657 -1.355 1.00 1.10 H new ATOM 0 HB VAL A 16 14.249 0.616 -0.156 1.00 42.34 H new ATOM 0 HG11 VAL A 16 13.968 0.401 2.276 1.00 12.34 H new ATOM 0 HG12 VAL A 16 13.461 -1.066 1.405 1.00 12.34 H new ATOM 0 HG13 VAL A 16 15.020 -1.034 2.263 1.00 12.34 H new ATOM 0 HG21 VAL A 16 15.746 1.834 1.384 1.00 73.52 H new ATOM 0 HG22 VAL A 16 16.909 0.489 1.300 1.00 73.52 H new ATOM 0 HG23 VAL A 16 16.544 1.442 -0.158 1.00 73.52 H new ATOM 248 N ASN A 17 17.818 -1.783 -0.172 1.00 34.21 N ATOM 249 CA ASN A 17 18.953 -2.493 0.425 1.00 41.12 C ATOM 250 C ASN A 17 18.803 -4.005 0.277 1.00 74.20 C ATOM 251 O ASN A 17 19.276 -4.775 1.114 1.00 55.15 O ATOM 252 CB ASN A 17 19.146 -2.110 1.901 1.00 23.24 C ATOM 253 CG ASN A 17 19.789 -0.744 2.068 1.00 51.23 C ATOM 254 OD1 ASN A 17 21.014 -0.622 2.088 1.00 23.45 O ATOM 255 ND2 ASN A 17 18.973 0.290 2.205 1.00 43.33 N ATOM 0 H ASN A 17 18.075 -1.181 -0.954 1.00 34.21 H new ATOM 0 HA ASN A 17 19.846 -2.186 -0.120 1.00 41.12 H new ATOM 0 HB2 ASN A 17 18.179 -2.117 2.404 1.00 23.24 H new ATOM 0 HB3 ASN A 17 19.765 -2.862 2.390 1.00 23.24 H new ATOM 0 HD21 ASN A 17 19.354 1.227 2.332 1.00 43.33 H new ATOM 0 HD22 ASN A 17 17.963 0.149 2.183 1.00 43.33 H new ATOM 262 N GLY A 18 18.153 -4.422 -0.801 1.00 21.44 N ATOM 263 CA GLY A 18 18.075 -5.835 -1.122 1.00 65.14 C ATOM 264 C GLY A 18 17.003 -6.574 -0.345 1.00 70.43 C ATOM 265 O GLY A 18 16.944 -7.803 -0.380 1.00 32.41 O ATOM 0 H GLY A 18 17.677 -3.806 -1.461 1.00 21.44 H new ATOM 0 HA2 GLY A 18 17.881 -5.947 -2.189 1.00 65.14 H new ATOM 0 HA3 GLY A 18 19.041 -6.298 -0.923 1.00 65.14 H new ATOM 269 N GLN A 19 16.154 -5.840 0.352 1.00 75.13 N ATOM 270 CA GLN A 19 15.067 -6.453 1.100 1.00 34.24 C ATOM 271 C GLN A 19 13.740 -5.813 0.722 1.00 71.33 C ATOM 272 O GLN A 19 13.701 -4.664 0.277 1.00 71.31 O ATOM 273 CB GLN A 19 15.320 -6.355 2.609 1.00 53.10 C ATOM 274 CG GLN A 19 15.670 -4.959 3.093 1.00 61.41 C ATOM 275 CD GLN A 19 15.966 -4.913 4.580 1.00 33.43 C ATOM 276 OE1 GLN A 19 16.416 -5.895 5.168 1.00 42.30 O ATOM 277 NE2 GLN A 19 15.724 -3.769 5.196 1.00 43.45 N ATOM 0 H GLN A 19 16.194 -4.823 0.417 1.00 75.13 H new ATOM 0 HA GLN A 19 15.021 -7.511 0.841 1.00 34.24 H new ATOM 0 HB2 GLN A 19 14.431 -6.698 3.138 1.00 53.10 H new ATOM 0 HB3 GLN A 19 16.131 -7.033 2.875 1.00 53.10 H new ATOM 0 HG2 GLN A 19 16.537 -4.595 2.542 1.00 61.41 H new ATOM 0 HG3 GLN A 19 14.844 -4.284 2.870 1.00 61.41 H new ATOM 0 HE21 GLN A 19 15.350 -2.977 4.673 1.00 43.45 H new ATOM 0 HE22 GLN A 19 15.911 -3.678 6.195 1.00 43.45 H new ATOM 286 N TYR A 20 12.661 -6.556 0.903 1.00 24.10 N ATOM 287 CA TYR A 20 11.345 -6.099 0.490 1.00 10.12 C ATOM 288 C TYR A 20 10.570 -5.484 1.643 1.00 62.21 C ATOM 289 O TYR A 20 10.524 -6.025 2.750 1.00 21.24 O ATOM 290 CB TYR A 20 10.526 -7.250 -0.098 1.00 32.42 C ATOM 291 CG TYR A 20 10.768 -7.508 -1.570 1.00 33.31 C ATOM 292 CD1 TYR A 20 10.186 -6.698 -2.540 1.00 54.14 C ATOM 293 CD2 TYR A 20 11.557 -8.569 -1.991 1.00 22.32 C ATOM 294 CE1 TYR A 20 10.385 -6.940 -3.886 1.00 23.45 C ATOM 295 CE2 TYR A 20 11.764 -8.815 -3.336 1.00 22.34 C ATOM 296 CZ TYR A 20 11.177 -8.000 -4.278 1.00 23.11 C ATOM 297 OH TYR A 20 11.371 -8.254 -5.618 1.00 31.12 O ATOM 0 H TYR A 20 12.671 -7.480 1.334 1.00 24.10 H new ATOM 0 HA TYR A 20 11.506 -5.335 -0.270 1.00 10.12 H new ATOM 0 HB2 TYR A 20 10.751 -8.160 0.459 1.00 32.42 H new ATOM 0 HB3 TYR A 20 9.467 -7.038 0.051 1.00 32.42 H new ATOM 0 HD1 TYR A 20 9.568 -5.866 -2.236 1.00 54.14 H new ATOM 0 HD2 TYR A 20 12.017 -9.213 -1.256 1.00 22.32 H new ATOM 0 HE1 TYR A 20 9.924 -6.304 -4.627 1.00 23.45 H new ATOM 0 HE2 TYR A 20 12.384 -9.643 -3.646 1.00 22.34 H new ATOM 0 HH TYR A 20 11.955 -9.034 -5.722 1.00 31.12 H new ATOM 307 N ALA A 21 9.961 -4.351 1.352 1.00 14.44 N ATOM 308 CA ALA A 21 9.055 -3.679 2.261 1.00 54.11 C ATOM 309 C ALA A 21 7.992 -2.996 1.423 1.00 43.23 C ATOM 310 O ALA A 21 8.147 -2.903 0.206 1.00 42.45 O ATOM 311 CB ALA A 21 9.799 -2.670 3.124 1.00 42.25 C ATOM 0 H ALA A 21 10.084 -3.865 0.464 1.00 14.44 H new ATOM 0 HA ALA A 21 8.597 -4.398 2.940 1.00 54.11 H new ATOM 0 HB1 ALA A 21 9.096 -2.179 3.798 1.00 42.25 H new ATOM 0 HB2 ALA A 21 10.563 -3.184 3.708 1.00 42.25 H new ATOM 0 HB3 ALA A 21 10.271 -1.923 2.486 1.00 42.25 H new ATOM 317 N TRP A 22 6.917 -2.538 2.039 1.00 21.53 N ATOM 318 CA TRP A 22 5.880 -1.858 1.286 1.00 33.33 C ATOM 319 C TRP A 22 5.347 -0.662 2.062 1.00 41.15 C ATOM 320 O TRP A 22 5.017 -0.763 3.249 1.00 4.34 O ATOM 321 CB TRP A 22 4.741 -2.828 0.917 1.00 52.42 C ATOM 322 CG TRP A 22 3.949 -3.343 2.086 1.00 72.23 C ATOM 323 CD1 TRP A 22 4.383 -4.180 3.076 1.00 63.14 C ATOM 324 CD2 TRP A 22 2.573 -3.070 2.366 1.00 72.15 C ATOM 325 NE1 TRP A 22 3.363 -4.424 3.963 1.00 24.00 N ATOM 326 CE2 TRP A 22 2.242 -3.759 3.547 1.00 31.33 C ATOM 327 CE3 TRP A 22 1.588 -2.300 1.738 1.00 21.54 C ATOM 328 CZ2 TRP A 22 0.970 -3.709 4.109 1.00 52.24 C ATOM 329 CZ3 TRP A 22 0.326 -2.252 2.296 1.00 40.22 C ATOM 330 CH2 TRP A 22 0.028 -2.952 3.471 1.00 63.12 C ATOM 0 H TRP A 22 6.741 -2.622 3.040 1.00 21.53 H new ATOM 0 HA TRP A 22 6.320 -1.491 0.359 1.00 33.33 H new ATOM 0 HB2 TRP A 22 4.062 -2.324 0.230 1.00 52.42 H new ATOM 0 HB3 TRP A 22 5.165 -3.677 0.381 1.00 52.42 H new ATOM 0 HD1 TRP A 22 5.380 -4.589 3.150 1.00 63.14 H new ATOM 0 HE1 TRP A 22 3.430 -5.007 4.797 1.00 24.00 H new ATOM 0 HE3 TRP A 22 1.811 -1.753 0.834 1.00 21.54 H new ATOM 0 HZ2 TRP A 22 0.736 -4.248 5.015 1.00 52.24 H new ATOM 0 HZ3 TRP A 22 -0.444 -1.665 1.818 1.00 40.22 H new ATOM 0 HH2 TRP A 22 -0.969 -2.892 3.883 1.00 63.12 H new ATOM 341 N ALA A 23 5.293 0.475 1.394 1.00 12.52 N ATOM 342 CA ALA A 23 4.730 1.673 1.977 1.00 14.52 C ATOM 343 C ALA A 23 3.626 2.218 1.087 1.00 52.25 C ATOM 344 O ALA A 23 3.772 2.282 -0.135 1.00 2.43 O ATOM 345 CB ALA A 23 5.815 2.719 2.181 1.00 24.30 C ATOM 0 H ALA A 23 5.636 0.592 0.440 1.00 12.52 H new ATOM 0 HA ALA A 23 4.303 1.425 2.949 1.00 14.52 H new ATOM 0 HB1 ALA A 23 5.378 3.616 2.620 1.00 24.30 H new ATOM 0 HB2 ALA A 23 6.580 2.324 2.849 1.00 24.30 H new ATOM 0 HB3 ALA A 23 6.265 2.968 1.220 1.00 24.30 H new ATOM 351 N TYR A 24 2.522 2.609 1.699 1.00 64.30 N ATOM 352 CA TYR A 24 1.407 3.157 0.955 1.00 25.14 C ATOM 353 C TYR A 24 0.985 4.486 1.556 1.00 73.22 C ATOM 354 O TYR A 24 0.963 4.654 2.777 1.00 42.41 O ATOM 355 CB TYR A 24 0.226 2.173 0.916 1.00 0.33 C ATOM 356 CG TYR A 24 -0.452 1.931 2.252 1.00 52.52 C ATOM 357 CD1 TYR A 24 0.137 1.133 3.223 1.00 2.31 C ATOM 358 CD2 TYR A 24 -1.689 2.499 2.536 1.00 22.24 C ATOM 359 CE1 TYR A 24 -0.485 0.908 4.437 1.00 43.03 C ATOM 360 CE2 TYR A 24 -2.317 2.277 3.745 1.00 54.12 C ATOM 361 CZ TYR A 24 -1.710 1.482 4.692 1.00 25.34 C ATOM 362 OH TYR A 24 -2.335 1.258 5.897 1.00 13.43 O ATOM 0 H TYR A 24 2.376 2.557 2.707 1.00 64.30 H new ATOM 0 HA TYR A 24 1.728 3.323 -0.073 1.00 25.14 H new ATOM 0 HB2 TYR A 24 -0.516 2.548 0.211 1.00 0.33 H new ATOM 0 HB3 TYR A 24 0.581 1.218 0.527 1.00 0.33 H new ATOM 0 HD1 TYR A 24 1.098 0.680 3.027 1.00 2.31 H new ATOM 0 HD2 TYR A 24 -2.167 3.125 1.797 1.00 22.24 H new ATOM 0 HE1 TYR A 24 -0.012 0.285 5.182 1.00 43.03 H new ATOM 0 HE2 TYR A 24 -3.279 2.724 3.947 1.00 54.12 H new ATOM 0 HH TYR A 24 -1.661 1.114 6.594 1.00 13.43 H new ATOM 372 N ALA A 25 0.670 5.431 0.697 1.00 22.32 N ATOM 373 CA ALA A 25 0.293 6.759 1.128 1.00 22.34 C ATOM 374 C ALA A 25 -0.952 7.214 0.396 1.00 12.11 C ATOM 375 O ALA A 25 -1.241 6.752 -0.706 1.00 64.42 O ATOM 376 CB ALA A 25 1.432 7.737 0.886 1.00 4.34 C ATOM 0 H ALA A 25 0.668 5.301 -0.315 1.00 22.32 H new ATOM 0 HA ALA A 25 0.080 6.730 2.197 1.00 22.34 H new ATOM 0 HB1 ALA A 25 1.133 8.732 1.215 1.00 4.34 H new ATOM 0 HB2 ALA A 25 2.311 7.418 1.446 1.00 4.34 H new ATOM 0 HB3 ALA A 25 1.670 7.763 -0.177 1.00 4.34 H new ATOM 382 N PHE A 26 -1.692 8.104 1.012 1.00 41.20 N ATOM 383 CA PHE A 26 -2.850 8.684 0.371 1.00 55.45 C ATOM 384 C PHE A 26 -2.785 10.205 0.441 1.00 45.53 C ATOM 385 O PHE A 26 -3.119 10.821 1.457 1.00 23.25 O ATOM 386 CB PHE A 26 -4.152 8.117 0.959 1.00 42.32 C ATOM 387 CG PHE A 26 -4.040 7.573 2.356 1.00 34.21 C ATOM 388 CD1 PHE A 26 -3.587 6.279 2.572 1.00 52.22 C ATOM 389 CD2 PHE A 26 -4.404 8.340 3.448 1.00 32.42 C ATOM 390 CE1 PHE A 26 -3.496 5.766 3.848 1.00 12.33 C ATOM 391 CE2 PHE A 26 -4.318 7.829 4.727 1.00 35.44 C ATOM 392 CZ PHE A 26 -3.861 6.541 4.927 1.00 53.11 C ATOM 0 H PHE A 26 -1.514 8.443 1.957 1.00 41.20 H new ATOM 0 HA PHE A 26 -2.846 8.409 -0.684 1.00 55.45 H new ATOM 0 HB2 PHE A 26 -4.907 8.903 0.952 1.00 42.32 H new ATOM 0 HB3 PHE A 26 -4.512 7.323 0.305 1.00 42.32 H new ATOM 0 HD1 PHE A 26 -3.302 5.666 1.729 1.00 52.22 H new ATOM 0 HD2 PHE A 26 -4.759 9.349 3.298 1.00 32.42 H new ATOM 0 HE1 PHE A 26 -3.139 4.758 4.002 1.00 12.33 H new ATOM 0 HE2 PHE A 26 -4.608 8.436 5.572 1.00 35.44 H new ATOM 0 HZ PHE A 26 -3.790 6.142 5.928 1.00 53.11 H new ATOM 402 N VAL A 27 -2.316 10.796 -0.654 1.00 54.51 N ATOM 403 CA VAL A 27 -2.078 12.228 -0.736 1.00 50.13 C ATOM 404 C VAL A 27 -3.089 12.890 -1.663 1.00 4.01 C ATOM 405 O VAL A 27 -3.250 12.495 -2.820 1.00 5.15 O ATOM 406 CB VAL A 27 -0.636 12.531 -1.220 1.00 32.22 C ATOM 407 CG1 VAL A 27 -0.300 11.743 -2.479 1.00 15.14 C ATOM 408 CG2 VAL A 27 -0.445 14.022 -1.461 1.00 71.53 C ATOM 0 H VAL A 27 -2.090 10.291 -1.511 1.00 54.51 H new ATOM 0 HA VAL A 27 -2.197 12.640 0.266 1.00 50.13 H new ATOM 0 HB VAL A 27 0.048 12.219 -0.431 1.00 32.22 H new ATOM 0 HG11 VAL A 27 0.717 11.977 -2.794 1.00 15.14 H new ATOM 0 HG12 VAL A 27 -0.380 10.676 -2.272 1.00 15.14 H new ATOM 0 HG13 VAL A 27 -0.996 12.012 -3.273 1.00 15.14 H new ATOM 0 HG21 VAL A 27 0.574 14.208 -1.800 1.00 71.53 H new ATOM 0 HG22 VAL A 27 -1.148 14.360 -2.222 1.00 71.53 H new ATOM 0 HG23 VAL A 27 -0.624 14.566 -0.534 1.00 71.53 H new ATOM 418 N LYS A 28 -3.770 13.898 -1.147 1.00 61.24 N ATOM 419 CA LYS A 28 -4.814 14.572 -1.890 1.00 31.22 C ATOM 420 C LYS A 28 -4.553 16.070 -1.909 1.00 45.51 C ATOM 421 O LYS A 28 -4.399 16.687 -0.856 1.00 33.22 O ATOM 422 CB LYS A 28 -6.178 14.289 -1.250 1.00 35.11 C ATOM 423 CG LYS A 28 -7.359 14.767 -2.078 1.00 4.52 C ATOM 424 CD LYS A 28 -7.627 13.844 -3.254 1.00 55.44 C ATOM 425 CE LYS A 28 -8.723 14.391 -4.156 1.00 61.22 C ATOM 426 NZ LYS A 28 -8.249 15.532 -4.984 1.00 4.21 N ATOM 0 H LYS A 28 -3.615 14.268 -0.209 1.00 61.24 H new ATOM 0 HA LYS A 28 -4.817 14.198 -2.914 1.00 31.22 H new ATOM 0 HB2 LYS A 28 -6.274 13.216 -1.084 1.00 35.11 H new ATOM 0 HB3 LYS A 28 -6.215 14.768 -0.272 1.00 35.11 H new ATOM 0 HG2 LYS A 28 -8.247 14.822 -1.448 1.00 4.52 H new ATOM 0 HG3 LYS A 28 -7.164 15.775 -2.443 1.00 4.52 H new ATOM 0 HD2 LYS A 28 -6.711 13.713 -3.831 1.00 55.44 H new ATOM 0 HD3 LYS A 28 -7.915 12.859 -2.886 1.00 55.44 H new ATOM 0 HE2 LYS A 28 -9.085 13.596 -4.808 1.00 61.22 H new ATOM 0 HE3 LYS A 28 -9.567 14.712 -3.546 1.00 61.22 H new ATOM 0 HZ1 LYS A 28 -8.901 15.677 -5.781 1.00 4.21 H new ATOM 0 HZ2 LYS A 28 -8.217 16.393 -4.402 1.00 4.21 H new ATOM 0 HZ3 LYS A 28 -7.297 15.325 -5.348 1.00 4.21 H new ATOM 440 N ASP A 29 -4.458 16.639 -3.105 1.00 14.12 N ATOM 441 CA ASP A 29 -4.377 18.093 -3.273 1.00 11.44 C ATOM 442 C ASP A 29 -3.130 18.691 -2.624 1.00 22.23 C ATOM 443 O ASP A 29 -3.171 19.801 -2.100 1.00 42.45 O ATOM 444 CB ASP A 29 -5.628 18.769 -2.701 1.00 31.14 C ATOM 445 CG ASP A 29 -6.839 18.599 -3.590 1.00 11.31 C ATOM 446 OD1 ASP A 29 -7.537 17.574 -3.475 1.00 51.43 O ATOM 447 OD2 ASP A 29 -7.102 19.499 -4.413 1.00 24.34 O ATOM 0 H ASP A 29 -4.435 16.116 -3.980 1.00 14.12 H new ATOM 0 HA ASP A 29 -4.312 18.280 -4.345 1.00 11.44 H new ATOM 0 HB2 ASP A 29 -5.843 18.353 -1.717 1.00 31.14 H new ATOM 0 HB3 ASP A 29 -5.431 19.832 -2.562 1.00 31.14 H new ATOM 452 N GLY A 30 -2.026 17.964 -2.667 1.00 12.12 N ATOM 453 CA GLY A 30 -0.765 18.523 -2.217 1.00 0.34 C ATOM 454 C GLY A 30 -0.390 18.152 -0.795 1.00 24.41 C ATOM 455 O GLY A 30 0.634 18.612 -0.292 1.00 55.51 O ATOM 0 H GLY A 30 -1.977 17.002 -3.003 1.00 12.12 H new ATOM 0 HA2 GLY A 30 0.027 18.190 -2.888 1.00 0.34 H new ATOM 0 HA3 GLY A 30 -0.814 19.609 -2.296 1.00 0.34 H new ATOM 459 N LYS A 31 -1.207 17.346 -0.128 1.00 24.15 N ATOM 460 CA LYS A 31 -0.840 16.844 1.190 1.00 70.24 C ATOM 461 C LYS A 31 -1.513 15.507 1.493 1.00 72.24 C ATOM 462 O LYS A 31 -2.586 15.203 0.974 1.00 24.30 O ATOM 463 CB LYS A 31 -1.109 17.891 2.284 1.00 55.42 C ATOM 464 CG LYS A 31 -2.503 18.493 2.278 1.00 75.44 C ATOM 465 CD LYS A 31 -3.508 17.576 2.941 1.00 21.32 C ATOM 466 CE LYS A 31 -4.679 17.303 2.023 1.00 53.11 C ATOM 467 NZ LYS A 31 -5.470 18.530 1.737 1.00 21.50 N ATOM 0 H LYS A 31 -2.114 17.030 -0.471 1.00 24.15 H new ATOM 0 HA LYS A 31 0.234 16.659 1.183 1.00 70.24 H new ATOM 0 HB2 LYS A 31 -0.935 17.430 3.256 1.00 55.42 H new ATOM 0 HB3 LYS A 31 -0.383 18.697 2.179 1.00 55.42 H new ATOM 0 HG2 LYS A 31 -2.488 19.452 2.795 1.00 75.44 H new ATOM 0 HG3 LYS A 31 -2.811 18.689 1.251 1.00 75.44 H new ATOM 0 HD2 LYS A 31 -3.026 16.636 3.211 1.00 21.32 H new ATOM 0 HD3 LYS A 31 -3.864 18.029 3.866 1.00 21.32 H new ATOM 0 HE2 LYS A 31 -4.313 16.883 1.086 1.00 53.11 H new ATOM 0 HE3 LYS A 31 -5.327 16.553 2.477 1.00 53.11 H new ATOM 0 HZ1 LYS A 31 -6.358 18.268 1.264 1.00 21.50 H new ATOM 0 HZ2 LYS A 31 -5.685 19.020 2.629 1.00 21.50 H new ATOM 0 HZ3 LYS A 31 -4.921 19.161 1.119 1.00 21.50 H new ATOM 481 N VAL A 32 -0.855 14.710 2.318 1.00 32.51 N ATOM 482 CA VAL A 32 -1.320 13.370 2.645 1.00 23.41 C ATOM 483 C VAL A 32 -2.349 13.417 3.777 1.00 42.11 C ATOM 484 O VAL A 32 -2.339 14.342 4.588 1.00 41.14 O ATOM 485 CB VAL A 32 -0.120 12.476 3.045 1.00 31.15 C ATOM 486 CG1 VAL A 32 0.549 12.992 4.311 1.00 73.21 C ATOM 487 CG2 VAL A 32 -0.540 11.024 3.207 1.00 32.14 C ATOM 0 H VAL A 32 0.016 14.972 2.780 1.00 32.51 H new ATOM 0 HA VAL A 32 -1.800 12.944 1.764 1.00 23.41 H new ATOM 0 HB VAL A 32 0.608 12.522 2.235 1.00 31.15 H new ATOM 0 HG11 VAL A 32 1.388 12.346 4.569 1.00 73.21 H new ATOM 0 HG12 VAL A 32 0.911 14.007 4.144 1.00 73.21 H new ATOM 0 HG13 VAL A 32 -0.172 12.994 5.129 1.00 73.21 H new ATOM 0 HG21 VAL A 32 0.326 10.424 3.488 1.00 32.14 H new ATOM 0 HG22 VAL A 32 -1.301 10.950 3.984 1.00 32.14 H new ATOM 0 HG23 VAL A 32 -0.947 10.656 2.265 1.00 32.14 H new ATOM 497 N HIS A 33 -3.265 12.452 3.803 1.00 21.33 N ATOM 498 CA HIS A 33 -4.207 12.345 4.914 1.00 64.32 C ATOM 499 C HIS A 33 -3.513 11.723 6.124 1.00 21.31 C ATOM 500 O HIS A 33 -3.412 12.345 7.181 1.00 74.53 O ATOM 501 CB HIS A 33 -5.438 11.507 4.533 1.00 5.11 C ATOM 502 CG HIS A 33 -6.400 12.190 3.606 1.00 64.21 C ATOM 503 ND1 HIS A 33 -7.168 11.507 2.696 1.00 52.21 N ATOM 504 CD2 HIS A 33 -6.744 13.494 3.477 1.00 4.21 C ATOM 505 CE1 HIS A 33 -7.941 12.350 2.047 1.00 34.22 C ATOM 506 NE2 HIS A 33 -7.709 13.568 2.500 1.00 23.34 N ATOM 0 H HIS A 33 -3.375 11.742 3.079 1.00 21.33 H new ATOM 0 HA HIS A 33 -4.548 13.350 5.161 1.00 64.32 H new ATOM 0 HB2 HIS A 33 -5.100 10.582 4.066 1.00 5.11 H new ATOM 0 HB3 HIS A 33 -5.968 11.230 5.444 1.00 5.11 H new ATOM 0 HD1 HIS A 33 -7.143 10.498 2.546 1.00 52.21 H new ATOM 0 HD2 HIS A 33 -6.336 14.322 4.038 1.00 4.21 H new ATOM 0 HE1 HIS A 33 -8.648 12.089 1.273 1.00 34.22 H new ATOM 515 N TYR A 34 -3.019 10.501 5.950 1.00 12.51 N ATOM 516 CA TYR A 34 -2.305 9.789 7.009 1.00 3.15 C ATOM 517 C TYR A 34 -1.187 8.952 6.400 1.00 31.51 C ATOM 518 O TYR A 34 -1.258 8.567 5.231 1.00 54.54 O ATOM 519 CB TYR A 34 -3.256 8.886 7.813 1.00 25.13 C ATOM 520 CG TYR A 34 -4.357 9.633 8.535 1.00 1.22 C ATOM 521 CD1 TYR A 34 -4.122 10.243 9.761 1.00 73.32 C ATOM 522 CD2 TYR A 34 -5.631 9.725 7.991 1.00 52.10 C ATOM 523 CE1 TYR A 34 -5.125 10.925 10.421 1.00 14.15 C ATOM 524 CE2 TYR A 34 -6.638 10.406 8.645 1.00 55.44 C ATOM 525 CZ TYR A 34 -6.380 11.002 9.861 1.00 25.02 C ATOM 526 OH TYR A 34 -7.379 11.683 10.515 1.00 60.33 O ATOM 0 H TYR A 34 -3.100 9.978 5.078 1.00 12.51 H new ATOM 0 HA TYR A 34 -1.882 10.526 7.691 1.00 3.15 H new ATOM 0 HB2 TYR A 34 -3.708 8.160 7.137 1.00 25.13 H new ATOM 0 HB3 TYR A 34 -2.674 8.323 8.543 1.00 25.13 H new ATOM 0 HD1 TYR A 34 -3.139 10.183 10.205 1.00 73.32 H new ATOM 0 HD2 TYR A 34 -5.838 9.256 7.040 1.00 52.10 H new ATOM 0 HE1 TYR A 34 -4.926 11.396 11.372 1.00 14.15 H new ATOM 0 HE2 TYR A 34 -7.623 10.472 8.206 1.00 55.44 H new ATOM 0 HH TYR A 34 -8.203 11.644 9.985 1.00 60.33 H new ATOM 536 N GLU A 35 -0.154 8.685 7.182 1.00 60.42 N ATOM 537 CA GLU A 35 1.001 7.948 6.691 1.00 41.23 C ATOM 538 C GLU A 35 1.263 6.730 7.571 1.00 31.43 C ATOM 539 O GLU A 35 1.489 6.873 8.774 1.00 42.41 O ATOM 540 CB GLU A 35 2.262 8.830 6.684 1.00 4.24 C ATOM 541 CG GLU A 35 2.003 10.331 6.595 1.00 73.13 C ATOM 542 CD GLU A 35 1.545 10.922 7.918 1.00 43.12 C ATOM 543 OE1 GLU A 35 2.340 10.922 8.879 1.00 44.23 O ATOM 544 OE2 GLU A 35 0.387 11.372 8.010 1.00 64.12 O ATOM 0 H GLU A 35 -0.091 8.967 8.160 1.00 60.42 H new ATOM 0 HA GLU A 35 0.779 7.633 5.671 1.00 41.23 H new ATOM 0 HB2 GLU A 35 2.832 8.629 7.591 1.00 4.24 H new ATOM 0 HB3 GLU A 35 2.888 8.535 5.842 1.00 4.24 H new ATOM 0 HG2 GLU A 35 2.914 10.835 6.272 1.00 73.13 H new ATOM 0 HG3 GLU A 35 1.246 10.521 5.834 1.00 73.13 H new ATOM 551 N ASP A 36 1.236 5.543 6.979 1.00 51.21 N ATOM 552 CA ASP A 36 1.548 4.327 7.720 1.00 42.40 C ATOM 553 C ASP A 36 2.103 3.264 6.773 1.00 13.34 C ATOM 554 O ASP A 36 1.884 3.327 5.563 1.00 64.43 O ATOM 555 CB ASP A 36 0.312 3.793 8.458 1.00 44.14 C ATOM 556 CG ASP A 36 0.678 3.005 9.708 1.00 21.11 C ATOM 557 OD1 ASP A 36 1.803 2.464 9.768 1.00 54.14 O ATOM 558 OD2 ASP A 36 -0.150 2.939 10.643 1.00 14.32 O ATOM 0 H ASP A 36 1.004 5.396 5.997 1.00 51.21 H new ATOM 0 HA ASP A 36 2.304 4.568 8.467 1.00 42.40 H new ATOM 0 HB2 ASP A 36 -0.332 4.628 8.734 1.00 44.14 H new ATOM 0 HB3 ASP A 36 -0.262 3.156 7.785 1.00 44.14 H new ATOM 563 N ALA A 37 2.809 2.296 7.340 1.00 61.32 N ATOM 564 CA ALA A 37 3.488 1.253 6.581 1.00 14.04 C ATOM 565 C ALA A 37 4.127 0.266 7.545 1.00 33.31 C ATOM 566 O ALA A 37 4.417 0.624 8.687 1.00 72.13 O ATOM 567 CB ALA A 37 4.548 1.854 5.668 1.00 61.02 C ATOM 0 H ALA A 37 2.928 2.211 8.349 1.00 61.32 H new ATOM 0 HA ALA A 37 2.758 0.736 5.958 1.00 14.04 H new ATOM 0 HB1 ALA A 37 5.042 1.058 5.111 1.00 61.02 H new ATOM 0 HB2 ALA A 37 4.077 2.547 4.970 1.00 61.02 H new ATOM 0 HB3 ALA A 37 5.285 2.388 6.268 1.00 61.02 H new ATOM 573 N ASP A 38 4.353 -0.961 7.093 1.00 53.11 N ATOM 574 CA ASP A 38 4.933 -1.990 7.951 1.00 44.30 C ATOM 575 C ASP A 38 5.603 -3.063 7.107 1.00 2.20 C ATOM 576 O ASP A 38 5.541 -3.025 5.879 1.00 23.02 O ATOM 577 CB ASP A 38 3.865 -2.624 8.846 1.00 40.43 C ATOM 578 CG ASP A 38 4.416 -3.011 10.205 1.00 21.34 C ATOM 579 OD1 ASP A 38 5.123 -4.039 10.302 1.00 71.45 O ATOM 580 OD2 ASP A 38 4.153 -2.282 11.182 1.00 25.01 O ATOM 0 H ASP A 38 4.145 -1.268 6.143 1.00 53.11 H new ATOM 0 HA ASP A 38 5.680 -1.516 8.588 1.00 44.30 H new ATOM 0 HB2 ASP A 38 3.039 -1.924 8.976 1.00 40.43 H new ATOM 0 HB3 ASP A 38 3.459 -3.508 8.355 1.00 40.43 H new ATOM 585 N VAL A 39 6.244 -4.018 7.761 1.00 64.13 N ATOM 586 CA VAL A 39 6.947 -5.069 7.059 1.00 53.41 C ATOM 587 C VAL A 39 6.106 -6.336 6.978 1.00 51.21 C ATOM 588 O VAL A 39 5.567 -6.812 7.982 1.00 24.24 O ATOM 589 CB VAL A 39 8.307 -5.375 7.719 1.00 24.44 C ATOM 590 CG1 VAL A 39 9.261 -4.213 7.520 1.00 42.15 C ATOM 591 CG2 VAL A 39 8.146 -5.680 9.203 1.00 63.43 C ATOM 0 H VAL A 39 6.290 -4.083 8.778 1.00 64.13 H new ATOM 0 HA VAL A 39 7.131 -4.711 6.046 1.00 53.41 H new ATOM 0 HB VAL A 39 8.722 -6.261 7.238 1.00 24.44 H new ATOM 0 HG11 VAL A 39 10.217 -4.442 7.991 1.00 42.15 H new ATOM 0 HG12 VAL A 39 9.413 -4.045 6.454 1.00 42.15 H new ATOM 0 HG13 VAL A 39 8.840 -3.315 7.972 1.00 42.15 H new ATOM 0 HG21 VAL A 39 9.122 -5.891 9.639 1.00 63.43 H new ATOM 0 HG22 VAL A 39 7.703 -4.820 9.705 1.00 63.43 H new ATOM 0 HG23 VAL A 39 7.497 -6.547 9.328 1.00 63.43 H new ATOM 601 N GLY A 40 5.998 -6.879 5.773 1.00 22.21 N ATOM 602 CA GLY A 40 5.208 -8.075 5.563 1.00 41.21 C ATOM 603 C GLY A 40 3.719 -7.807 5.662 1.00 22.32 C ATOM 604 O GLY A 40 3.283 -6.654 5.631 1.00 41.31 O ATOM 0 H GLY A 40 6.446 -6.510 4.934 1.00 22.21 H new ATOM 0 HA2 GLY A 40 5.436 -8.490 4.581 1.00 41.21 H new ATOM 0 HA3 GLY A 40 5.489 -8.827 6.300 1.00 41.21 H new ATOM 608 N LYS A 41 2.937 -8.869 5.771 1.00 65.33 N ATOM 609 CA LYS A 41 1.498 -8.747 5.935 1.00 54.12 C ATOM 610 C LYS A 41 0.987 -9.746 6.957 1.00 72.24 C ATOM 611 O LYS A 41 0.981 -10.953 6.711 1.00 62.31 O ATOM 612 CB LYS A 41 0.763 -8.956 4.609 1.00 64.55 C ATOM 613 CG LYS A 41 0.743 -7.728 3.715 1.00 24.54 C ATOM 614 CD LYS A 41 -0.210 -7.917 2.548 1.00 52.40 C ATOM 615 CE LYS A 41 -0.414 -6.624 1.776 1.00 62.03 C ATOM 616 NZ LYS A 41 -1.438 -6.772 0.711 1.00 30.32 N ATOM 0 H LYS A 41 3.277 -9.830 5.749 1.00 65.33 H new ATOM 0 HA LYS A 41 1.299 -7.735 6.287 1.00 54.12 H new ATOM 0 HB2 LYS A 41 1.234 -9.778 4.070 1.00 64.55 H new ATOM 0 HB3 LYS A 41 -0.263 -9.258 4.818 1.00 64.55 H new ATOM 0 HG2 LYS A 41 0.443 -6.856 4.296 1.00 24.54 H new ATOM 0 HG3 LYS A 41 1.747 -7.531 3.340 1.00 24.54 H new ATOM 0 HD2 LYS A 41 0.181 -8.683 1.879 1.00 52.40 H new ATOM 0 HD3 LYS A 41 -1.171 -8.276 2.917 1.00 52.40 H new ATOM 0 HE2 LYS A 41 -0.717 -5.834 2.464 1.00 62.03 H new ATOM 0 HE3 LYS A 41 0.531 -6.314 1.331 1.00 62.03 H new ATOM 0 HZ1 LYS A 41 -1.548 -5.869 0.207 1.00 30.32 H new ATOM 0 HZ2 LYS A 41 -1.138 -7.508 0.040 1.00 30.32 H new ATOM 0 HZ3 LYS A 41 -2.347 -7.043 1.138 1.00 30.32 H new ATOM 630 N ASN A 42 0.581 -9.239 8.109 1.00 1.42 N ATOM 631 CA ASN A 42 -0.026 -10.065 9.142 1.00 72.32 C ATOM 632 C ASN A 42 -1.331 -9.422 9.592 1.00 25.03 C ATOM 633 O ASN A 42 -1.410 -8.199 9.696 1.00 60.25 O ATOM 634 CB ASN A 42 0.924 -10.232 10.333 1.00 35.25 C ATOM 635 CG ASN A 42 2.158 -11.050 9.992 1.00 75.33 C ATOM 636 OD1 ASN A 42 3.173 -10.512 9.551 1.00 31.04 O ATOM 637 ND2 ASN A 42 2.083 -12.355 10.207 1.00 42.14 N ATOM 0 H ASN A 42 0.661 -8.252 8.354 1.00 1.42 H new ATOM 0 HA ASN A 42 -0.228 -11.055 8.734 1.00 72.32 H new ATOM 0 HB2 ASN A 42 1.232 -9.248 10.687 1.00 35.25 H new ATOM 0 HB3 ASN A 42 0.390 -10.713 11.153 1.00 35.25 H new ATOM 0 HD21 ASN A 42 2.885 -12.952 10.006 1.00 42.14 H new ATOM 0 HD22 ASN A 42 1.223 -12.763 10.574 1.00 42.14 H new ATOM 644 N PRO A 43 -2.359 -10.232 9.886 1.00 55.21 N ATOM 645 CA PRO A 43 -3.707 -9.732 10.186 1.00 72.44 C ATOM 646 C PRO A 43 -3.742 -8.746 11.356 1.00 73.42 C ATOM 647 O PRO A 43 -4.301 -7.653 11.240 1.00 74.30 O ATOM 648 CB PRO A 43 -4.505 -10.998 10.526 1.00 31.11 C ATOM 649 CG PRO A 43 -3.486 -12.055 10.785 1.00 12.52 C ATOM 650 CD PRO A 43 -2.294 -11.698 9.944 1.00 62.01 C ATOM 0 HA PRO A 43 -4.111 -9.170 9.344 1.00 72.44 H new ATOM 0 HB2 PRO A 43 -5.137 -10.840 11.400 1.00 31.11 H new ATOM 0 HB3 PRO A 43 -5.162 -11.280 9.704 1.00 31.11 H new ATOM 0 HG2 PRO A 43 -3.221 -12.091 11.842 1.00 12.52 H new ATOM 0 HG3 PRO A 43 -3.870 -13.040 10.519 1.00 12.52 H new ATOM 0 HD2 PRO A 43 -1.364 -12.043 10.395 1.00 62.01 H new ATOM 0 HD3 PRO A 43 -2.352 -12.144 8.951 1.00 62.01 H new ATOM 658 N ALA A 44 -3.136 -9.125 12.473 1.00 72.05 N ATOM 659 CA ALA A 44 -3.178 -8.303 13.672 1.00 42.02 C ATOM 660 C ALA A 44 -2.030 -7.306 13.692 1.00 42.35 C ATOM 661 O ALA A 44 -2.177 -6.194 14.181 1.00 45.54 O ATOM 662 CB ALA A 44 -3.148 -9.177 14.917 1.00 43.44 C ATOM 0 H ALA A 44 -2.611 -9.994 12.573 1.00 72.05 H new ATOM 0 HA ALA A 44 -4.112 -7.741 13.664 1.00 42.02 H new ATOM 0 HB1 ALA A 44 -3.180 -8.546 15.805 1.00 43.44 H new ATOM 0 HB2 ALA A 44 -4.010 -9.844 14.914 1.00 43.44 H new ATOM 0 HB3 ALA A 44 -2.232 -9.768 14.925 1.00 43.44 H new ATOM 668 N ALA A 45 -0.895 -7.705 13.139 1.00 71.40 N ATOM 669 CA ALA A 45 0.302 -6.871 13.161 1.00 25.22 C ATOM 670 C ALA A 45 0.149 -5.620 12.301 1.00 62.21 C ATOM 671 O ALA A 45 0.646 -4.551 12.655 1.00 3.32 O ATOM 672 CB ALA A 45 1.507 -7.670 12.702 1.00 2.24 C ATOM 0 H ALA A 45 -0.775 -8.602 12.668 1.00 71.40 H new ATOM 0 HA ALA A 45 0.450 -6.546 14.191 1.00 25.22 H new ATOM 0 HB1 ALA A 45 2.393 -7.036 12.723 1.00 2.24 H new ATOM 0 HB2 ALA A 45 1.654 -8.521 13.367 1.00 2.24 H new ATOM 0 HB3 ALA A 45 1.341 -8.028 11.686 1.00 2.24 H new ATOM 678 N ALA A 46 -0.548 -5.756 11.177 1.00 23.04 N ATOM 679 CA ALA A 46 -0.689 -4.659 10.225 1.00 22.12 C ATOM 680 C ALA A 46 -1.669 -3.596 10.716 1.00 62.22 C ATOM 681 O ALA A 46 -1.685 -2.479 10.200 1.00 32.34 O ATOM 682 CB ALA A 46 -1.119 -5.188 8.864 1.00 12.14 C ATOM 0 H ALA A 46 -1.024 -6.615 10.903 1.00 23.04 H new ATOM 0 HA ALA A 46 0.287 -4.184 10.131 1.00 22.12 H new ATOM 0 HB1 ALA A 46 -1.220 -4.357 8.166 1.00 12.14 H new ATOM 0 HB2 ALA A 46 -0.369 -5.886 8.492 1.00 12.14 H new ATOM 0 HB3 ALA A 46 -2.076 -5.700 8.959 1.00 12.14 H new ATOM 688 N THR A 47 -2.489 -3.936 11.705 1.00 1.33 N ATOM 689 CA THR A 47 -3.456 -2.987 12.231 1.00 2.45 C ATOM 690 C THR A 47 -3.228 -2.721 13.717 1.00 10.40 C ATOM 691 O THR A 47 -2.892 -1.607 14.097 1.00 21.13 O ATOM 692 CB THR A 47 -4.892 -3.498 12.011 1.00 3.04 C ATOM 693 OG1 THR A 47 -4.980 -4.885 12.380 1.00 22.20 O ATOM 694 CG2 THR A 47 -5.316 -3.330 10.560 1.00 72.13 C ATOM 0 H THR A 47 -2.502 -4.852 12.153 1.00 1.33 H new ATOM 0 HA THR A 47 -3.320 -2.051 11.690 1.00 2.45 H new ATOM 0 HB THR A 47 -5.561 -2.908 12.637 1.00 3.04 H new ATOM 0 HG1 THR A 47 -4.591 -5.438 11.670 1.00 22.20 H new ATOM 0 HG21 THR A 47 -6.334 -3.699 10.433 1.00 72.13 H new ATOM 0 HG22 THR A 47 -5.276 -2.275 10.289 1.00 72.13 H new ATOM 0 HG23 THR A 47 -4.642 -3.896 9.916 1.00 72.13 H new ATOM 702 N MET A 48 -3.376 -3.777 14.522 1.00 2.14 N ATOM 703 CA MET A 48 -3.172 -3.779 15.973 1.00 44.41 C ATOM 704 C MET A 48 -3.795 -2.566 16.653 1.00 53.21 C ATOM 705 O MET A 48 -4.935 -2.598 17.118 1.00 53.50 O ATOM 706 CB MET A 48 -1.674 -3.860 16.292 1.00 30.52 C ATOM 707 CG MET A 48 -1.361 -4.074 17.767 1.00 12.00 C ATOM 708 SD MET A 48 0.414 -4.140 18.094 1.00 72.12 S ATOM 709 CE MET A 48 0.894 -5.537 17.078 1.00 71.40 C ATOM 0 H MET A 48 -3.653 -4.692 14.165 1.00 2.14 H new ATOM 0 HA MET A 48 -3.678 -4.659 16.370 1.00 44.41 H new ATOM 0 HB2 MET A 48 -1.235 -4.675 15.717 1.00 30.52 H new ATOM 0 HB3 MET A 48 -1.193 -2.940 15.960 1.00 30.52 H new ATOM 0 HG2 MET A 48 -1.805 -3.267 18.350 1.00 12.00 H new ATOM 0 HG3 MET A 48 -1.824 -5.002 18.103 1.00 12.00 H new ATOM 0 HE1 MET A 48 1.832 -5.950 17.448 1.00 71.40 H new ATOM 0 HE2 MET A 48 0.118 -6.302 17.121 1.00 71.40 H new ATOM 0 HE3 MET A 48 1.023 -5.209 16.047 1.00 71.40 H new ATOM 719 N ARG A 49 -3.029 -1.498 16.669 1.00 60.31 N ATOM 720 CA ARG A 49 -3.401 -0.250 17.338 1.00 21.52 C ATOM 721 C ARG A 49 -2.804 0.928 16.580 1.00 1.01 C ATOM 722 O ARG A 49 -2.761 2.057 17.073 1.00 21.21 O ATOM 723 CB ARG A 49 -2.892 -0.228 18.786 1.00 4.10 C ATOM 724 CG ARG A 49 -3.457 -1.329 19.670 1.00 22.13 C ATOM 725 CD ARG A 49 -2.973 -1.188 21.103 1.00 25.10 C ATOM 726 NE ARG A 49 -3.456 -2.273 21.954 1.00 73.41 N ATOM 727 CZ ARG A 49 -4.117 -2.088 23.095 1.00 2.11 C ATOM 728 NH1 ARG A 49 -4.476 -0.868 23.472 1.00 12.41 N ATOM 729 NH2 ARG A 49 -4.446 -3.135 23.838 1.00 31.03 N ATOM 0 H ARG A 49 -2.116 -1.461 16.215 1.00 60.31 H new ATOM 0 HA ARG A 49 -4.489 -0.178 17.351 1.00 21.52 H new ATOM 0 HB2 ARG A 49 -1.805 -0.309 18.777 1.00 4.10 H new ATOM 0 HB3 ARG A 49 -3.136 0.737 19.229 1.00 4.10 H new ATOM 0 HG2 ARG A 49 -4.546 -1.294 19.647 1.00 22.13 H new ATOM 0 HG3 ARG A 49 -3.160 -2.302 19.278 1.00 22.13 H new ATOM 0 HD2 ARG A 49 -1.883 -1.174 21.118 1.00 25.10 H new ATOM 0 HD3 ARG A 49 -3.310 -0.233 21.507 1.00 25.10 H new ATOM 0 HE ARG A 49 -3.276 -3.232 21.656 1.00 73.41 H new ATOM 0 HH11 ARG A 49 -4.246 -0.065 22.887 1.00 12.41 H new ATOM 0 HH12 ARG A 49 -4.982 -0.733 24.347 1.00 12.41 H new ATOM 0 HH21 ARG A 49 -4.193 -4.075 23.535 1.00 31.03 H new ATOM 0 HH22 ARG A 49 -4.952 -3.000 24.713 1.00 31.03 H new ATOM 743 N ASN A 50 -2.339 0.642 15.376 1.00 2.41 N ATOM 744 CA ASN A 50 -1.657 1.621 14.542 1.00 13.52 C ATOM 745 C ASN A 50 -2.668 2.484 13.808 1.00 23.34 C ATOM 746 O ASN A 50 -3.878 2.249 13.900 1.00 70.50 O ATOM 747 CB ASN A 50 -0.760 0.900 13.530 1.00 3.24 C ATOM 748 CG ASN A 50 0.347 0.101 14.192 1.00 65.05 C ATOM 749 OD1 ASN A 50 0.134 -1.029 14.640 1.00 73.44 O ATOM 750 ND2 ASN A 50 1.541 0.673 14.242 1.00 41.04 N ATOM 0 H ASN A 50 -2.423 -0.279 14.946 1.00 2.41 H new ATOM 0 HA ASN A 50 -1.045 2.261 15.178 1.00 13.52 H new ATOM 0 HB2 ASN A 50 -1.370 0.232 12.921 1.00 3.24 H new ATOM 0 HB3 ASN A 50 -0.319 1.633 12.855 1.00 3.24 H new ATOM 0 HD21 ASN A 50 2.327 0.177 14.663 1.00 41.04 H new ATOM 0 HD22 ASN A 50 1.674 1.609 13.860 1.00 41.04 H new ATOM 757 N VAL A 51 -2.177 3.464 13.068 1.00 44.14 N ATOM 758 CA VAL A 51 -3.039 4.326 12.275 1.00 4.41 C ATOM 759 C VAL A 51 -3.757 3.494 11.220 1.00 13.25 C ATOM 760 O VAL A 51 -4.930 3.718 10.915 1.00 61.24 O ATOM 761 CB VAL A 51 -2.232 5.449 11.588 1.00 12.34 C ATOM 762 CG1 VAL A 51 -3.148 6.400 10.830 1.00 0.52 C ATOM 763 CG2 VAL A 51 -1.392 6.206 12.608 1.00 4.42 C ATOM 0 H VAL A 51 -1.183 3.683 12.999 1.00 44.14 H new ATOM 0 HA VAL A 51 -3.765 4.790 12.943 1.00 4.41 H new ATOM 0 HB VAL A 51 -1.560 4.986 10.865 1.00 12.34 H new ATOM 0 HG11 VAL A 51 -2.551 7.180 10.357 1.00 0.52 H new ATOM 0 HG12 VAL A 51 -3.694 5.847 10.066 1.00 0.52 H new ATOM 0 HG13 VAL A 51 -3.855 6.855 11.524 1.00 0.52 H new ATOM 0 HG21 VAL A 51 -0.831 6.993 12.105 1.00 4.42 H new ATOM 0 HG22 VAL A 51 -2.045 6.650 13.360 1.00 4.42 H new ATOM 0 HG23 VAL A 51 -0.698 5.518 13.091 1.00 4.42 H new ATOM 773 N ALA A 52 -3.041 2.500 10.702 1.00 13.34 N ATOM 774 CA ALA A 52 -3.581 1.567 9.723 1.00 20.04 C ATOM 775 C ALA A 52 -4.807 0.823 10.255 1.00 41.33 C ATOM 776 O ALA A 52 -5.551 0.223 9.485 1.00 62.41 O ATOM 777 CB ALA A 52 -2.509 0.580 9.305 1.00 3.22 C ATOM 0 H ALA A 52 -2.068 2.320 10.951 1.00 13.34 H new ATOM 0 HA ALA A 52 -3.903 2.145 8.857 1.00 20.04 H new ATOM 0 HB1 ALA A 52 -2.920 -0.115 8.573 1.00 3.22 H new ATOM 0 HB2 ALA A 52 -1.671 1.119 8.864 1.00 3.22 H new ATOM 0 HB3 ALA A 52 -2.165 0.025 10.178 1.00 3.22 H new ATOM 783 N GLY A 53 -5.012 0.856 11.571 1.00 35.23 N ATOM 784 CA GLY A 53 -6.184 0.231 12.154 1.00 35.53 C ATOM 785 C GLY A 53 -7.467 0.888 11.683 1.00 31.42 C ATOM 786 O GLY A 53 -8.371 0.218 11.182 1.00 51.14 O ATOM 0 H GLY A 53 -4.387 1.304 12.241 1.00 35.23 H new ATOM 0 HA2 GLY A 53 -6.200 -0.827 11.892 1.00 35.53 H new ATOM 0 HA3 GLY A 53 -6.124 0.289 13.241 1.00 35.53 H new ATOM 790 N GLU A 54 -7.543 2.202 11.841 1.00 1.30 N ATOM 791 CA GLU A 54 -8.680 2.969 11.350 1.00 5.34 C ATOM 792 C GLU A 54 -8.639 3.066 9.830 1.00 0.14 C ATOM 793 O GLU A 54 -9.677 3.122 9.171 1.00 31.35 O ATOM 794 CB GLU A 54 -8.707 4.368 11.980 1.00 53.12 C ATOM 795 CG GLU A 54 -9.327 4.410 13.373 1.00 54.33 C ATOM 796 CD GLU A 54 -8.650 3.481 14.361 1.00 63.41 C ATOM 797 OE1 GLU A 54 -7.589 3.855 14.905 1.00 72.44 O ATOM 798 OE2 GLU A 54 -9.178 2.376 14.603 1.00 31.12 O ATOM 0 H GLU A 54 -6.828 2.761 12.307 1.00 1.30 H new ATOM 0 HA GLU A 54 -9.594 2.450 11.639 1.00 5.34 H new ATOM 0 HB2 GLU A 54 -7.688 4.750 12.036 1.00 53.12 H new ATOM 0 HB3 GLU A 54 -9.263 5.039 11.326 1.00 53.12 H new ATOM 0 HG2 GLU A 54 -9.279 5.430 13.753 1.00 54.33 H new ATOM 0 HG3 GLU A 54 -10.382 4.146 13.301 1.00 54.33 H new ATOM 805 N ILE A 55 -7.428 3.073 9.281 1.00 41.45 N ATOM 806 CA ILE A 55 -7.237 3.115 7.833 1.00 65.22 C ATOM 807 C ILE A 55 -7.787 1.849 7.171 1.00 62.34 C ATOM 808 O ILE A 55 -8.236 1.882 6.026 1.00 40.10 O ATOM 809 CB ILE A 55 -5.744 3.301 7.461 1.00 2.41 C ATOM 810 CG1 ILE A 55 -5.221 4.635 8.009 1.00 31.40 C ATOM 811 CG2 ILE A 55 -5.532 3.228 5.953 1.00 10.02 C ATOM 812 CD1 ILE A 55 -6.036 5.839 7.584 1.00 64.32 C ATOM 0 H ILE A 55 -6.561 3.050 9.818 1.00 41.45 H new ATOM 0 HA ILE A 55 -7.791 3.976 7.460 1.00 65.22 H new ATOM 0 HB ILE A 55 -5.182 2.485 7.916 1.00 2.41 H new ATOM 0 HG12 ILE A 55 -5.204 4.587 9.098 1.00 31.40 H new ATOM 0 HG13 ILE A 55 -4.191 4.772 7.680 1.00 31.40 H new ATOM 0 HG21 ILE A 55 -4.474 3.362 5.727 1.00 10.02 H new ATOM 0 HG22 ILE A 55 -5.861 2.256 5.586 1.00 10.02 H new ATOM 0 HG23 ILE A 55 -6.110 4.014 5.466 1.00 10.02 H new ATOM 0 HD11 ILE A 55 -5.601 6.742 8.013 1.00 64.32 H new ATOM 0 HD12 ILE A 55 -6.033 5.915 6.497 1.00 64.32 H new ATOM 0 HD13 ILE A 55 -7.061 5.727 7.937 1.00 64.32 H new ATOM 824 N ALA A 56 -7.763 0.740 7.905 1.00 42.30 N ATOM 825 CA ALA A 56 -8.288 -0.534 7.414 1.00 33.54 C ATOM 826 C ALA A 56 -9.738 -0.402 6.946 1.00 24.21 C ATOM 827 O ALA A 56 -10.200 -1.178 6.110 1.00 74.01 O ATOM 828 CB ALA A 56 -8.178 -1.601 8.493 1.00 21.13 C ATOM 0 H ALA A 56 -7.382 0.697 8.850 1.00 42.30 H new ATOM 0 HA ALA A 56 -7.687 -0.832 6.555 1.00 33.54 H new ATOM 0 HB1 ALA A 56 -8.572 -2.544 8.114 1.00 21.13 H new ATOM 0 HB2 ALA A 56 -7.132 -1.731 8.771 1.00 21.13 H new ATOM 0 HB3 ALA A 56 -8.751 -1.294 9.368 1.00 21.13 H new ATOM 834 N ALA A 57 -10.449 0.591 7.482 1.00 23.34 N ATOM 835 CA ALA A 57 -11.832 0.844 7.093 1.00 72.42 C ATOM 836 C ALA A 57 -11.916 1.261 5.626 1.00 51.23 C ATOM 837 O ALA A 57 -12.945 1.071 4.975 1.00 3.45 O ATOM 838 CB ALA A 57 -12.456 1.906 7.986 1.00 4.22 C ATOM 0 H ALA A 57 -10.087 1.233 8.187 1.00 23.34 H new ATOM 0 HA ALA A 57 -12.393 -0.082 7.217 1.00 72.42 H new ATOM 0 HB1 ALA A 57 -13.487 2.080 7.679 1.00 4.22 H new ATOM 0 HB2 ALA A 57 -12.438 1.567 9.022 1.00 4.22 H new ATOM 0 HB3 ALA A 57 -11.890 2.834 7.898 1.00 4.22 H new ATOM 844 N ALA A 58 -10.823 1.813 5.102 1.00 41.33 N ATOM 845 CA ALA A 58 -10.760 2.218 3.704 1.00 1.23 C ATOM 846 C ALA A 58 -10.767 0.995 2.798 1.00 1.13 C ATOM 847 O ALA A 58 -11.218 1.062 1.660 1.00 31.22 O ATOM 848 CB ALA A 58 -9.528 3.070 3.442 1.00 75.42 C ATOM 0 H ALA A 58 -9.968 1.989 5.629 1.00 41.33 H new ATOM 0 HA ALA A 58 -11.641 2.820 3.482 1.00 1.23 H new ATOM 0 HB1 ALA A 58 -9.503 3.360 2.392 1.00 75.42 H new ATOM 0 HB2 ALA A 58 -9.565 3.964 4.065 1.00 75.42 H new ATOM 0 HB3 ALA A 58 -8.632 2.497 3.682 1.00 75.42 H new ATOM 854 N LEU A 59 -10.284 -0.128 3.318 1.00 75.13 N ATOM 855 CA LEU A 59 -10.304 -1.384 2.578 1.00 70.21 C ATOM 856 C LEU A 59 -11.747 -1.845 2.396 1.00 21.33 C ATOM 857 O LEU A 59 -12.132 -2.339 1.337 1.00 5.05 O ATOM 858 CB LEU A 59 -9.495 -2.450 3.318 1.00 51.31 C ATOM 859 CG LEU A 59 -9.388 -3.800 2.608 1.00 45.40 C ATOM 860 CD1 LEU A 59 -8.617 -3.659 1.307 1.00 12.14 C ATOM 861 CD2 LEU A 59 -8.725 -4.822 3.516 1.00 32.55 C ATOM 0 H LEU A 59 -9.874 -0.194 4.250 1.00 75.13 H new ATOM 0 HA LEU A 59 -9.851 -1.229 1.599 1.00 70.21 H new ATOM 0 HB2 LEU A 59 -8.489 -2.066 3.487 1.00 51.31 H new ATOM 0 HB3 LEU A 59 -9.945 -2.608 4.298 1.00 51.31 H new ATOM 0 HG LEU A 59 -10.393 -4.149 2.372 1.00 45.40 H new ATOM 0 HD11 LEU A 59 -8.551 -4.630 0.816 1.00 12.14 H new ATOM 0 HD12 LEU A 59 -9.133 -2.956 0.653 1.00 12.14 H new ATOM 0 HD13 LEU A 59 -7.613 -3.290 1.517 1.00 12.14 H new ATOM 0 HD21 LEU A 59 -8.655 -5.778 2.998 1.00 32.55 H new ATOM 0 HD22 LEU A 59 -7.725 -4.479 3.781 1.00 32.55 H new ATOM 0 HD23 LEU A 59 -9.319 -4.943 4.422 1.00 32.55 H new ATOM 873 N TYR A 60 -12.543 -1.655 3.438 1.00 30.32 N ATOM 874 CA TYR A 60 -13.965 -1.961 3.381 1.00 10.12 C ATOM 875 C TYR A 60 -14.694 -0.912 2.552 1.00 12.35 C ATOM 876 O TYR A 60 -15.742 -1.183 1.970 1.00 63.42 O ATOM 877 CB TYR A 60 -14.554 -2.055 4.791 1.00 1.23 C ATOM 878 CG TYR A 60 -13.995 -3.213 5.588 1.00 1.13 C ATOM 879 CD1 TYR A 60 -14.573 -4.474 5.510 1.00 75.21 C ATOM 880 CD2 TYR A 60 -12.883 -3.049 6.406 1.00 31.35 C ATOM 881 CE1 TYR A 60 -14.059 -5.541 6.226 1.00 23.32 C ATOM 882 CE2 TYR A 60 -12.361 -4.111 7.121 1.00 23.41 C ATOM 883 CZ TYR A 60 -12.952 -5.354 7.028 1.00 73.14 C ATOM 884 OH TYR A 60 -12.428 -6.416 7.736 1.00 72.42 O ATOM 0 H TYR A 60 -12.227 -1.289 4.336 1.00 30.32 H new ATOM 0 HA TYR A 60 -14.096 -2.930 2.900 1.00 10.12 H new ATOM 0 HB2 TYR A 60 -14.357 -1.125 5.324 1.00 1.23 H new ATOM 0 HB3 TYR A 60 -15.637 -2.158 4.721 1.00 1.23 H new ATOM 0 HD1 TYR A 60 -15.438 -4.624 4.880 1.00 75.21 H new ATOM 0 HD2 TYR A 60 -12.420 -2.077 6.484 1.00 31.35 H new ATOM 0 HE1 TYR A 60 -14.522 -6.514 6.157 1.00 23.32 H new ATOM 0 HE2 TYR A 60 -11.494 -3.968 7.750 1.00 23.41 H new ATOM 0 HH TYR A 60 -11.650 -6.115 8.250 1.00 72.42 H new ATOM 894 N ALA A 61 -14.133 0.290 2.499 1.00 60.33 N ATOM 895 CA ALA A 61 -14.641 1.324 1.611 1.00 74.30 C ATOM 896 C ALA A 61 -14.450 0.904 0.155 1.00 5.13 C ATOM 897 O ALA A 61 -15.276 1.209 -0.697 1.00 14.15 O ATOM 898 CB ALA A 61 -13.954 2.658 1.875 1.00 15.23 C ATOM 0 H ALA A 61 -13.328 0.571 3.060 1.00 60.33 H new ATOM 0 HA ALA A 61 -15.706 1.451 1.806 1.00 74.30 H new ATOM 0 HB1 ALA A 61 -14.353 3.413 1.197 1.00 15.23 H new ATOM 0 HB2 ALA A 61 -14.136 2.963 2.906 1.00 15.23 H new ATOM 0 HB3 ALA A 61 -12.881 2.554 1.711 1.00 15.23 H new ATOM 904 N VAL A 62 -13.356 0.192 -0.115 1.00 24.22 N ATOM 905 CA VAL A 62 -13.115 -0.382 -1.436 1.00 44.53 C ATOM 906 C VAL A 62 -14.101 -1.517 -1.698 1.00 51.41 C ATOM 907 O VAL A 62 -14.586 -1.695 -2.820 1.00 53.51 O ATOM 908 CB VAL A 62 -11.672 -0.915 -1.572 1.00 52.44 C ATOM 909 CG1 VAL A 62 -11.427 -1.477 -2.967 1.00 4.44 C ATOM 910 CG2 VAL A 62 -10.667 0.178 -1.257 1.00 62.23 C ATOM 0 H VAL A 62 -12.622 -0.001 0.566 1.00 24.22 H new ATOM 0 HA VAL A 62 -13.255 0.411 -2.171 1.00 44.53 H new ATOM 0 HB VAL A 62 -11.543 -1.723 -0.852 1.00 52.44 H new ATOM 0 HG11 VAL A 62 -10.404 -1.846 -3.036 1.00 4.44 H new ATOM 0 HG12 VAL A 62 -12.121 -2.296 -3.157 1.00 4.44 H new ATOM 0 HG13 VAL A 62 -11.581 -0.692 -3.708 1.00 4.44 H new ATOM 0 HG21 VAL A 62 -9.656 -0.217 -1.358 1.00 62.23 H new ATOM 0 HG22 VAL A 62 -10.803 1.008 -1.950 1.00 62.23 H new ATOM 0 HG23 VAL A 62 -10.819 0.529 -0.236 1.00 62.23 H new ATOM 920 N LYS A 63 -14.394 -2.271 -0.646 1.00 51.41 N ATOM 921 CA LYS A 63 -15.400 -3.323 -0.700 1.00 65.43 C ATOM 922 C LYS A 63 -16.738 -2.736 -1.154 1.00 13.34 C ATOM 923 O LYS A 63 -17.451 -3.328 -1.964 1.00 15.05 O ATOM 924 CB LYS A 63 -15.544 -3.967 0.683 1.00 54.33 C ATOM 925 CG LYS A 63 -15.488 -5.486 0.686 1.00 73.03 C ATOM 926 CD LYS A 63 -16.672 -6.098 -0.042 1.00 44.44 C ATOM 927 CE LYS A 63 -16.677 -7.612 0.094 1.00 24.21 C ATOM 928 NZ LYS A 63 -17.850 -8.230 -0.576 1.00 64.20 N ATOM 0 H LYS A 63 -13.944 -2.171 0.264 1.00 51.41 H new ATOM 0 HA LYS A 63 -15.091 -4.086 -1.415 1.00 65.43 H new ATOM 0 HB2 LYS A 63 -14.753 -3.587 1.330 1.00 54.33 H new ATOM 0 HB3 LYS A 63 -16.492 -3.651 1.119 1.00 54.33 H new ATOM 0 HG2 LYS A 63 -14.562 -5.816 0.215 1.00 73.03 H new ATOM 0 HG3 LYS A 63 -15.468 -5.846 1.714 1.00 73.03 H new ATOM 0 HD2 LYS A 63 -17.600 -5.691 0.360 1.00 44.44 H new ATOM 0 HD3 LYS A 63 -16.635 -5.825 -1.097 1.00 44.44 H new ATOM 0 HE2 LYS A 63 -15.760 -8.017 -0.335 1.00 24.21 H new ATOM 0 HE3 LYS A 63 -16.681 -7.881 1.150 1.00 24.21 H new ATOM 0 HZ1 LYS A 63 -17.813 -9.263 -0.458 1.00 64.20 H new ATOM 0 HZ2 LYS A 63 -18.726 -7.864 -0.150 1.00 64.20 H new ATOM 0 HZ3 LYS A 63 -17.834 -7.996 -1.589 1.00 64.20 H new ATOM 942 N LYS A 64 -17.061 -1.559 -0.625 1.00 12.32 N ATOM 943 CA LYS A 64 -18.246 -0.821 -1.048 1.00 52.01 C ATOM 944 C LYS A 64 -18.061 -0.260 -2.452 1.00 2.45 C ATOM 945 O LYS A 64 -18.947 -0.381 -3.293 1.00 62.43 O ATOM 946 CB LYS A 64 -18.549 0.329 -0.078 1.00 60.42 C ATOM 947 CG LYS A 64 -19.511 -0.030 1.046 1.00 22.35 C ATOM 948 CD LYS A 64 -18.948 -1.086 1.980 1.00 73.42 C ATOM 949 CE LYS A 64 -19.924 -1.405 3.103 1.00 53.03 C ATOM 950 NZ LYS A 64 -21.204 -1.972 2.592 1.00 52.43 N ATOM 0 H LYS A 64 -16.515 -1.095 0.101 1.00 12.32 H new ATOM 0 HA LYS A 64 -19.084 -1.517 -1.048 1.00 52.01 H new ATOM 0 HB2 LYS A 64 -17.612 0.675 0.359 1.00 60.42 H new ATOM 0 HB3 LYS A 64 -18.965 1.164 -0.642 1.00 60.42 H new ATOM 0 HG2 LYS A 64 -19.747 0.867 1.618 1.00 22.35 H new ATOM 0 HG3 LYS A 64 -20.446 -0.390 0.618 1.00 22.35 H new ATOM 0 HD2 LYS A 64 -18.728 -1.993 1.417 1.00 73.42 H new ATOM 0 HD3 LYS A 64 -18.006 -0.737 2.402 1.00 73.42 H new ATOM 0 HE2 LYS A 64 -19.464 -2.114 3.792 1.00 53.03 H new ATOM 0 HE3 LYS A 64 -20.131 -0.498 3.671 1.00 53.03 H new ATOM 0 HZ1 LYS A 64 -21.753 -2.360 3.385 1.00 52.43 H new ATOM 0 HZ2 LYS A 64 -21.753 -1.223 2.125 1.00 52.43 H new ATOM 0 HZ3 LYS A 64 -21.000 -2.729 1.909 1.00 52.43 H new ATOM 964 N ALA A 65 -16.898 0.341 -2.693 1.00 13.54 N ATOM 965 CA ALA A 65 -16.588 0.990 -3.965 1.00 32.33 C ATOM 966 C ALA A 65 -16.814 0.059 -5.151 1.00 15.55 C ATOM 967 O ALA A 65 -17.348 0.478 -6.182 1.00 43.40 O ATOM 968 CB ALA A 65 -15.150 1.485 -3.956 1.00 32.15 C ATOM 0 H ALA A 65 -16.142 0.392 -2.010 1.00 13.54 H new ATOM 0 HA ALA A 65 -17.266 1.835 -4.079 1.00 32.33 H new ATOM 0 HB1 ALA A 65 -14.925 1.968 -4.907 1.00 32.15 H new ATOM 0 HB2 ALA A 65 -15.017 2.201 -3.145 1.00 32.15 H new ATOM 0 HB3 ALA A 65 -14.476 0.641 -3.809 1.00 32.15 H new ATOM 974 N SER A 66 -16.408 -1.197 -4.993 1.00 5.52 N ATOM 975 CA SER A 66 -16.588 -2.211 -6.025 1.00 3.14 C ATOM 976 C SER A 66 -18.043 -2.267 -6.487 1.00 61.35 C ATOM 977 O SER A 66 -18.332 -2.211 -7.686 1.00 61.22 O ATOM 978 CB SER A 66 -16.151 -3.580 -5.489 1.00 34.43 C ATOM 979 OG SER A 66 -16.245 -4.581 -6.488 1.00 44.41 O ATOM 0 H SER A 66 -15.947 -1.539 -4.150 1.00 5.52 H new ATOM 0 HA SER A 66 -15.970 -1.945 -6.883 1.00 3.14 H new ATOM 0 HB2 SER A 66 -15.124 -3.520 -5.128 1.00 34.43 H new ATOM 0 HB3 SER A 66 -16.773 -3.854 -4.637 1.00 34.43 H new ATOM 0 HG SER A 66 -15.958 -5.442 -6.117 1.00 44.41 H new ATOM 985 N GLN A 67 -18.952 -2.345 -5.528 1.00 33.15 N ATOM 986 CA GLN A 67 -20.371 -2.487 -5.818 1.00 44.11 C ATOM 987 C GLN A 67 -21.022 -1.134 -6.100 1.00 71.21 C ATOM 988 O GLN A 67 -21.994 -1.046 -6.851 1.00 13.10 O ATOM 989 CB GLN A 67 -21.066 -3.169 -4.641 1.00 43.40 C ATOM 990 CG GLN A 67 -22.360 -3.863 -5.019 1.00 35.12 C ATOM 991 CD GLN A 67 -23.057 -4.467 -3.821 1.00 74.54 C ATOM 992 OE1 GLN A 67 -23.876 -3.815 -3.176 1.00 73.21 O ATOM 993 NE2 GLN A 67 -22.741 -5.712 -3.516 1.00 71.10 N ATOM 0 H GLN A 67 -18.730 -2.312 -4.533 1.00 33.15 H new ATOM 0 HA GLN A 67 -20.478 -3.099 -6.713 1.00 44.11 H new ATOM 0 HB2 GLN A 67 -20.386 -3.900 -4.202 1.00 43.40 H new ATOM 0 HB3 GLN A 67 -21.274 -2.425 -3.872 1.00 43.40 H new ATOM 0 HG2 GLN A 67 -23.026 -3.148 -5.502 1.00 35.12 H new ATOM 0 HG3 GLN A 67 -22.151 -4.646 -5.748 1.00 35.12 H new ATOM 0 HE21 GLN A 67 -22.056 -6.217 -4.078 1.00 71.10 H new ATOM 0 HE22 GLN A 67 -23.182 -6.169 -2.718 1.00 71.10 H new ATOM 1002 N LEU A 68 -20.479 -0.082 -5.498 1.00 13.32 N ATOM 1003 CA LEU A 68 -21.043 1.255 -5.630 1.00 30.42 C ATOM 1004 C LEU A 68 -20.779 1.826 -7.021 1.00 64.32 C ATOM 1005 O LEU A 68 -21.538 2.664 -7.516 1.00 51.30 O ATOM 1006 CB LEU A 68 -20.451 2.175 -4.556 1.00 34.41 C ATOM 1007 CG LEU A 68 -21.070 3.569 -4.472 1.00 11.10 C ATOM 1008 CD1 LEU A 68 -22.548 3.471 -4.134 1.00 12.03 C ATOM 1009 CD2 LEU A 68 -20.341 4.414 -3.439 1.00 30.41 C ATOM 0 H LEU A 68 -19.646 -0.130 -4.912 1.00 13.32 H new ATOM 0 HA LEU A 68 -22.122 1.190 -5.493 1.00 30.42 H new ATOM 0 HB2 LEU A 68 -20.559 1.689 -3.586 1.00 34.41 H new ATOM 0 HB3 LEU A 68 -19.382 2.281 -4.742 1.00 34.41 H new ATOM 0 HG LEU A 68 -20.969 4.053 -5.444 1.00 11.10 H new ATOM 0 HD11 LEU A 68 -22.975 4.472 -4.078 1.00 12.03 H new ATOM 0 HD12 LEU A 68 -23.061 2.900 -4.908 1.00 12.03 H new ATOM 0 HD13 LEU A 68 -22.669 2.970 -3.174 1.00 12.03 H new ATOM 0 HD21 LEU A 68 -20.795 5.404 -3.392 1.00 30.41 H new ATOM 0 HD22 LEU A 68 -20.412 3.936 -2.462 1.00 30.41 H new ATOM 0 HD23 LEU A 68 -19.292 4.509 -3.721 1.00 30.41 H new ATOM 1021 N GLY A 69 -19.711 1.365 -7.654 1.00 65.23 N ATOM 1022 CA GLY A 69 -19.414 1.793 -9.005 1.00 14.53 C ATOM 1023 C GLY A 69 -18.335 2.858 -9.064 1.00 64.34 C ATOM 1024 O GLY A 69 -18.153 3.508 -10.094 1.00 22.45 O ATOM 0 H GLY A 69 -19.045 0.703 -7.257 1.00 65.23 H new ATOM 0 HA2 GLY A 69 -19.099 0.931 -9.593 1.00 14.53 H new ATOM 0 HA3 GLY A 69 -20.323 2.178 -9.467 1.00 14.53 H new ATOM 1028 N VAL A 70 -17.615 3.035 -7.968 1.00 33.31 N ATOM 1029 CA VAL A 70 -16.549 4.030 -7.910 1.00 51.34 C ATOM 1030 C VAL A 70 -15.189 3.357 -7.796 1.00 61.24 C ATOM 1031 O VAL A 70 -15.068 2.274 -7.220 1.00 52.34 O ATOM 1032 CB VAL A 70 -16.740 5.019 -6.739 1.00 0.11 C ATOM 1033 CG1 VAL A 70 -17.946 5.911 -6.987 1.00 42.35 C ATOM 1034 CG2 VAL A 70 -16.885 4.278 -5.417 1.00 31.21 C ATOM 0 H VAL A 70 -17.747 2.505 -7.106 1.00 33.31 H new ATOM 0 HA VAL A 70 -16.595 4.597 -8.840 1.00 51.34 H new ATOM 0 HB VAL A 70 -15.851 5.647 -6.678 1.00 0.11 H new ATOM 0 HG11 VAL A 70 -18.066 6.601 -6.152 1.00 42.35 H new ATOM 0 HG12 VAL A 70 -17.797 6.476 -7.907 1.00 42.35 H new ATOM 0 HG13 VAL A 70 -18.841 5.296 -7.080 1.00 42.35 H new ATOM 0 HG21 VAL A 70 -17.018 4.998 -4.609 1.00 31.21 H new ATOM 0 HG22 VAL A 70 -17.752 3.619 -5.462 1.00 31.21 H new ATOM 0 HG23 VAL A 70 -15.989 3.686 -5.231 1.00 31.21 H new ATOM 1044 N LYS A 71 -14.176 3.984 -8.377 1.00 54.33 N ATOM 1045 CA LYS A 71 -12.823 3.446 -8.351 1.00 45.01 C ATOM 1046 C LYS A 71 -11.838 4.513 -7.888 1.00 4.43 C ATOM 1047 O LYS A 71 -12.225 5.656 -7.629 1.00 54.25 O ATOM 1048 CB LYS A 71 -12.431 2.945 -9.742 1.00 3.34 C ATOM 1049 CG LYS A 71 -13.474 2.038 -10.362 1.00 71.31 C ATOM 1050 CD LYS A 71 -13.076 1.580 -11.750 1.00 31.11 C ATOM 1051 CE LYS A 71 -14.225 0.857 -12.423 1.00 32.31 C ATOM 1052 NZ LYS A 71 -13.818 0.248 -13.715 1.00 62.55 N ATOM 0 H LYS A 71 -14.266 4.870 -8.874 1.00 54.33 H new ATOM 0 HA LYS A 71 -12.793 2.612 -7.650 1.00 45.01 H new ATOM 0 HB2 LYS A 71 -12.267 3.801 -10.397 1.00 3.34 H new ATOM 0 HB3 LYS A 71 -11.485 2.408 -9.675 1.00 3.34 H new ATOM 0 HG2 LYS A 71 -13.624 1.168 -9.723 1.00 71.31 H new ATOM 0 HG3 LYS A 71 -14.427 2.564 -10.413 1.00 71.31 H new ATOM 0 HD2 LYS A 71 -12.778 2.439 -12.351 1.00 31.11 H new ATOM 0 HD3 LYS A 71 -12.211 0.920 -11.687 1.00 31.11 H new ATOM 0 HE2 LYS A 71 -14.603 0.080 -11.759 1.00 32.31 H new ATOM 0 HE3 LYS A 71 -15.043 1.556 -12.594 1.00 32.31 H new ATOM 0 HZ1 LYS A 71 -14.633 -0.237 -14.142 1.00 62.55 H new ATOM 0 HZ2 LYS A 71 -13.481 0.992 -14.359 1.00 62.55 H new ATOM 0 HZ3 LYS A 71 -13.055 -0.439 -13.550 1.00 62.55 H new ATOM 1066 N ILE A 72 -10.569 4.150 -7.785 1.00 3.23 N ATOM 1067 CA ILE A 72 -9.544 5.102 -7.391 1.00 42.24 C ATOM 1068 C ILE A 72 -8.648 5.430 -8.580 1.00 60.34 C ATOM 1069 O ILE A 72 -8.700 4.750 -9.606 1.00 63.12 O ATOM 1070 CB ILE A 72 -8.703 4.576 -6.202 1.00 24.43 C ATOM 1071 CG1 ILE A 72 -8.008 3.253 -6.541 1.00 70.22 C ATOM 1072 CG2 ILE A 72 -9.589 4.399 -4.979 1.00 44.05 C ATOM 1073 CD1 ILE A 72 -6.626 3.408 -7.139 1.00 61.33 C ATOM 0 H ILE A 72 -10.226 3.207 -7.968 1.00 3.23 H new ATOM 0 HA ILE A 72 -10.042 6.014 -7.060 1.00 42.24 H new ATOM 0 HB ILE A 72 -7.929 5.313 -5.989 1.00 24.43 H new ATOM 0 HG12 ILE A 72 -7.933 2.653 -5.634 1.00 70.22 H new ATOM 0 HG13 ILE A 72 -8.633 2.697 -7.240 1.00 70.22 H new ATOM 0 HG21 ILE A 72 -8.991 4.029 -4.147 1.00 44.05 H new ATOM 0 HG22 ILE A 72 -10.032 5.357 -4.709 1.00 44.05 H new ATOM 0 HG23 ILE A 72 -10.380 3.684 -5.203 1.00 44.05 H new ATOM 0 HD11 ILE A 72 -6.208 2.423 -7.348 1.00 61.33 H new ATOM 0 HD12 ILE A 72 -6.692 3.978 -8.065 1.00 61.33 H new ATOM 0 HD13 ILE A 72 -5.982 3.934 -6.434 1.00 61.33 H new ATOM 1085 N ARG A 73 -7.837 6.471 -8.450 1.00 64.13 N ATOM 1086 CA ARG A 73 -6.938 6.859 -9.524 1.00 52.03 C ATOM 1087 C ARG A 73 -5.741 5.915 -9.566 1.00 11.42 C ATOM 1088 O ARG A 73 -4.835 5.999 -8.737 1.00 74.23 O ATOM 1089 CB ARG A 73 -6.480 8.312 -9.353 1.00 13.12 C ATOM 1090 CG ARG A 73 -5.602 8.802 -10.494 1.00 52.40 C ATOM 1091 CD ARG A 73 -5.400 10.308 -10.450 1.00 15.24 C ATOM 1092 NE ARG A 73 -4.545 10.765 -11.543 1.00 71.22 N ATOM 1093 CZ ARG A 73 -5.000 11.256 -12.697 1.00 60.22 C ATOM 1094 NH1 ARG A 73 -6.307 11.421 -12.888 1.00 3.11 N ATOM 1095 NH2 ARG A 73 -4.152 11.584 -13.664 1.00 14.23 N ATOM 0 H ARG A 73 -7.784 7.057 -7.617 1.00 64.13 H new ATOM 0 HA ARG A 73 -7.473 6.788 -10.471 1.00 52.03 H new ATOM 0 HB2 ARG A 73 -7.356 8.956 -9.275 1.00 13.12 H new ATOM 0 HB3 ARG A 73 -5.932 8.405 -8.415 1.00 13.12 H new ATOM 0 HG2 ARG A 73 -4.633 8.305 -10.446 1.00 52.40 H new ATOM 0 HG3 ARG A 73 -6.056 8.525 -11.446 1.00 52.40 H new ATOM 0 HD2 ARG A 73 -6.367 10.808 -10.509 1.00 15.24 H new ATOM 0 HD3 ARG A 73 -4.954 10.589 -9.496 1.00 15.24 H new ATOM 0 HE ARG A 73 -3.535 10.705 -11.416 1.00 71.22 H new ATOM 0 HH11 ARG A 73 -6.966 11.172 -12.150 1.00 3.11 H new ATOM 0 HH12 ARG A 73 -6.650 11.797 -13.772 1.00 3.11 H new ATOM 0 HH21 ARG A 73 -3.149 11.461 -13.526 1.00 14.23 H new ATOM 0 HH22 ARG A 73 -4.503 11.959 -14.545 1.00 14.23 H new ATOM 1109 N ILE A 74 -5.769 4.998 -10.521 1.00 12.52 N ATOM 1110 CA ILE A 74 -4.759 3.967 -10.622 1.00 74.32 C ATOM 1111 C ILE A 74 -3.560 4.434 -11.440 1.00 63.43 C ATOM 1112 O ILE A 74 -3.706 5.118 -12.455 1.00 41.54 O ATOM 1113 CB ILE A 74 -5.342 2.676 -11.245 1.00 55.12 C ATOM 1114 CG1 ILE A 74 -5.807 2.920 -12.685 1.00 11.33 C ATOM 1115 CG2 ILE A 74 -6.503 2.165 -10.404 1.00 34.53 C ATOM 1116 CD1 ILE A 74 -6.336 1.674 -13.369 1.00 62.34 C ATOM 0 H ILE A 74 -6.489 4.951 -11.241 1.00 12.52 H new ATOM 0 HA ILE A 74 -4.422 3.752 -9.608 1.00 74.32 H new ATOM 0 HB ILE A 74 -4.553 1.924 -11.263 1.00 55.12 H new ATOM 0 HG12 ILE A 74 -6.586 3.682 -12.683 1.00 11.33 H new ATOM 0 HG13 ILE A 74 -4.974 3.317 -13.265 1.00 11.33 H new ATOM 0 HG21 ILE A 74 -6.905 1.256 -10.852 1.00 34.53 H new ATOM 0 HG22 ILE A 74 -6.153 1.948 -9.395 1.00 34.53 H new ATOM 0 HG23 ILE A 74 -7.284 2.925 -10.362 1.00 34.53 H new ATOM 0 HD11 ILE A 74 -6.647 1.920 -14.384 1.00 62.34 H new ATOM 0 HD12 ILE A 74 -5.552 0.917 -13.403 1.00 62.34 H new ATOM 0 HD13 ILE A 74 -7.189 1.288 -12.812 1.00 62.34 H new ATOM 1643 N ARG A 107 -8.412 -6.981 -7.869 1.00 62.23 N ATOM 1644 CA ARG A 107 -7.956 -5.739 -8.469 1.00 10.45 C ATOM 1645 C ARG A 107 -8.977 -5.242 -9.484 1.00 24.00 C ATOM 1646 O ARG A 107 -9.808 -6.009 -9.972 1.00 54.23 O ATOM 1647 CB ARG A 107 -6.593 -5.915 -9.150 1.00 1.02 C ATOM 1648 CG ARG A 107 -5.385 -5.862 -8.215 1.00 45.15 C ATOM 1649 CD ARG A 107 -5.269 -7.092 -7.326 1.00 45.53 C ATOM 1650 NE ARG A 107 -3.953 -7.161 -6.683 1.00 50.33 N ATOM 1651 CZ ARG A 107 -3.680 -7.861 -5.579 1.00 25.42 C ATOM 1652 NH1 ARG A 107 -4.627 -8.572 -4.977 1.00 51.35 N ATOM 1653 NH2 ARG A 107 -2.447 -7.857 -5.088 1.00 51.45 N ATOM 0 HA ARG A 107 -7.847 -5.004 -7.672 1.00 10.45 H new ATOM 0 HB2 ARG A 107 -6.587 -6.872 -9.671 1.00 1.02 H new ATOM 0 HB3 ARG A 107 -6.480 -5.139 -9.907 1.00 1.02 H new ATOM 0 HG2 ARG A 107 -4.476 -5.762 -8.809 1.00 45.15 H new ATOM 0 HG3 ARG A 107 -5.456 -4.973 -7.589 1.00 45.15 H new ATOM 0 HD2 ARG A 107 -6.048 -7.068 -6.564 1.00 45.53 H new ATOM 0 HD3 ARG A 107 -5.433 -7.990 -7.921 1.00 45.53 H new ATOM 0 HE ARG A 107 -3.190 -6.636 -7.110 1.00 50.33 H new ATOM 0 HH11 ARG A 107 -5.573 -8.587 -5.358 1.00 51.35 H new ATOM 0 HH12 ARG A 107 -4.408 -9.103 -4.134 1.00 51.35 H new ATOM 0 HH21 ARG A 107 -1.714 -7.321 -5.554 1.00 51.45 H new ATOM 0 HH22 ARG A 107 -2.232 -8.390 -4.245 1.00 51.45 H new ATOM 1667 N GLY A 108 -8.915 -3.959 -9.793 1.00 2.24 N ATOM 1668 CA GLY A 108 -9.858 -3.372 -10.721 1.00 72.33 C ATOM 1669 C GLY A 108 -10.357 -2.041 -10.215 1.00 22.10 C ATOM 1670 O GLY A 108 -10.354 -1.047 -10.938 1.00 12.33 O ATOM 0 H GLY A 108 -8.225 -3.309 -9.416 1.00 2.24 H new ATOM 0 HA2 GLY A 108 -9.383 -3.241 -11.693 1.00 72.33 H new ATOM 0 HA3 GLY A 108 -10.700 -4.049 -10.866 1.00 72.33 H new ATOM 1674 N ILE A 109 -10.790 -2.030 -8.964 1.00 23.21 N ATOM 1675 CA ILE A 109 -11.148 -0.791 -8.297 1.00 51.33 C ATOM 1676 C ILE A 109 -9.872 -0.117 -7.815 1.00 65.32 C ATOM 1677 O ILE A 109 -9.713 1.100 -7.904 1.00 4.45 O ATOM 1678 CB ILE A 109 -12.094 -1.030 -7.090 1.00 4.54 C ATOM 1679 CG1 ILE A 109 -13.405 -1.696 -7.529 1.00 75.10 C ATOM 1680 CG2 ILE A 109 -12.387 0.278 -6.368 1.00 51.12 C ATOM 1681 CD1 ILE A 109 -13.296 -3.190 -7.771 1.00 42.43 C ATOM 0 H ILE A 109 -10.902 -2.866 -8.391 1.00 23.21 H new ATOM 0 HA ILE A 109 -11.681 -0.159 -9.008 1.00 51.33 H new ATOM 0 HB ILE A 109 -11.584 -1.705 -6.403 1.00 4.54 H new ATOM 0 HG12 ILE A 109 -14.163 -1.518 -6.766 1.00 75.10 H new ATOM 0 HG13 ILE A 109 -13.754 -1.216 -8.443 1.00 75.10 H new ATOM 0 HG21 ILE A 109 -13.052 0.088 -5.525 1.00 51.12 H new ATOM 0 HG22 ILE A 109 -11.455 0.710 -6.004 1.00 51.12 H new ATOM 0 HG23 ILE A 109 -12.865 0.975 -7.057 1.00 51.12 H new ATOM 0 HD11 ILE A 109 -14.266 -3.581 -8.078 1.00 42.43 H new ATOM 0 HD12 ILE A 109 -12.564 -3.379 -8.556 1.00 42.43 H new ATOM 0 HD13 ILE A 109 -12.979 -3.685 -6.853 1.00 42.43 H new ATOM 1693 N TYR A 110 -8.958 -0.941 -7.323 1.00 51.02 N ATOM 1694 CA TYR A 110 -7.646 -0.485 -6.906 1.00 31.33 C ATOM 1695 C TYR A 110 -6.582 -1.117 -7.793 1.00 42.30 C ATOM 1696 O TYR A 110 -6.749 -2.248 -8.257 1.00 44.12 O ATOM 1697 CB TYR A 110 -7.390 -0.860 -5.444 1.00 43.23 C ATOM 1698 CG TYR A 110 -7.175 0.329 -4.537 1.00 44.35 C ATOM 1699 CD1 TYR A 110 -5.943 0.967 -4.473 1.00 62.12 C ATOM 1700 CD2 TYR A 110 -8.202 0.816 -3.738 1.00 2.12 C ATOM 1701 CE1 TYR A 110 -5.741 2.052 -3.644 1.00 4.23 C ATOM 1702 CE2 TYR A 110 -8.006 1.901 -2.906 1.00 53.51 C ATOM 1703 CZ TYR A 110 -6.775 2.514 -2.862 1.00 72.33 C ATOM 1704 OH TYR A 110 -6.579 3.595 -2.037 1.00 51.50 O ATOM 0 H TYR A 110 -9.108 -1.943 -7.203 1.00 51.02 H new ATOM 0 HA TYR A 110 -7.603 0.600 -7.001 1.00 31.33 H new ATOM 0 HB2 TYR A 110 -8.236 -1.439 -5.074 1.00 43.23 H new ATOM 0 HB3 TYR A 110 -6.514 -1.507 -5.393 1.00 43.23 H new ATOM 0 HD1 TYR A 110 -5.128 0.607 -5.083 1.00 62.12 H new ATOM 0 HD2 TYR A 110 -9.170 0.338 -3.768 1.00 2.12 H new ATOM 0 HE1 TYR A 110 -4.776 2.536 -3.609 1.00 4.23 H new ATOM 0 HE2 TYR A 110 -8.816 2.267 -2.292 1.00 53.51 H new ATOM 0 HH TYR A 110 -7.409 3.793 -1.555 1.00 51.50 H new ATOM 1714 N SER A 111 -5.503 -0.388 -8.031 1.00 5.23 N ATOM 1715 CA SER A 111 -4.420 -0.878 -8.862 1.00 12.15 C ATOM 1716 C SER A 111 -3.162 -0.062 -8.588 1.00 43.52 C ATOM 1717 O SER A 111 -3.234 1.155 -8.409 1.00 44.42 O ATOM 1718 CB SER A 111 -4.815 -0.792 -10.338 1.00 41.43 C ATOM 1719 OG SER A 111 -4.003 -1.620 -11.144 1.00 71.22 O ATOM 0 H SER A 111 -5.356 0.550 -7.657 1.00 5.23 H new ATOM 0 HA SER A 111 -4.218 -1.922 -8.624 1.00 12.15 H new ATOM 0 HB2 SER A 111 -5.859 -1.083 -10.453 1.00 41.43 H new ATOM 0 HB3 SER A 111 -4.732 0.240 -10.677 1.00 41.43 H new ATOM 0 HG SER A 111 -4.284 -1.542 -12.080 1.00 71.22 H new ATOM 1725 N PHE A 112 -2.019 -0.733 -8.547 1.00 12.12 N ATOM 1726 CA PHE A 112 -0.768 -0.089 -8.172 1.00 31.21 C ATOM 1727 C PHE A 112 0.307 -0.310 -9.229 1.00 41.03 C ATOM 1728 O PHE A 112 0.123 -1.080 -10.173 1.00 53.55 O ATOM 1729 CB PHE A 112 -0.263 -0.632 -6.832 1.00 42.02 C ATOM 1730 CG PHE A 112 -1.189 -0.401 -5.673 1.00 1.10 C ATOM 1731 CD1 PHE A 112 -1.300 0.852 -5.100 1.00 30.33 C ATOM 1732 CD2 PHE A 112 -1.935 -1.444 -5.148 1.00 42.33 C ATOM 1733 CE1 PHE A 112 -2.139 1.065 -4.023 1.00 4.14 C ATOM 1734 CE2 PHE A 112 -2.773 -1.239 -4.070 1.00 20.34 C ATOM 1735 CZ PHE A 112 -2.876 0.017 -3.507 1.00 33.42 C ATOM 0 H PHE A 112 -1.932 -1.725 -8.769 1.00 12.12 H new ATOM 0 HA PHE A 112 -0.968 0.979 -8.086 1.00 31.21 H new ATOM 0 HB2 PHE A 112 -0.088 -1.703 -6.932 1.00 42.02 H new ATOM 0 HB3 PHE A 112 0.699 -0.172 -6.608 1.00 42.02 H new ATOM 0 HD1 PHE A 112 -0.724 1.674 -5.499 1.00 30.33 H new ATOM 0 HD2 PHE A 112 -1.860 -2.428 -5.587 1.00 42.33 H new ATOM 0 HE1 PHE A 112 -2.218 2.049 -3.585 1.00 4.14 H new ATOM 0 HE2 PHE A 112 -3.347 -2.060 -3.668 1.00 20.34 H new ATOM 0 HZ PHE A 112 -3.532 0.180 -2.664 1.00 33.42 H new ATOM 1745 N GLU A 113 1.419 0.387 -9.050 1.00 63.14 N ATOM 1746 CA GLU A 113 2.614 0.206 -9.863 1.00 52.14 C ATOM 1747 C GLU A 113 3.815 0.479 -8.963 1.00 21.35 C ATOM 1748 O GLU A 113 3.695 1.236 -7.997 1.00 22.32 O ATOM 1749 CB GLU A 113 2.599 1.165 -11.058 1.00 25.53 C ATOM 1750 CG GLU A 113 3.209 0.600 -12.337 1.00 22.34 C ATOM 1751 CD GLU A 113 4.709 0.417 -12.262 1.00 44.24 C ATOM 1752 OE1 GLU A 113 5.443 1.388 -12.551 1.00 61.51 O ATOM 1753 OE2 GLU A 113 5.164 -0.695 -11.922 1.00 41.43 O ATOM 0 H GLU A 113 1.519 1.102 -8.329 1.00 63.14 H new ATOM 0 HA GLU A 113 2.661 -0.806 -10.264 1.00 52.14 H new ATOM 0 HB2 GLU A 113 1.568 1.455 -11.261 1.00 25.53 H new ATOM 0 HB3 GLU A 113 3.138 2.072 -10.785 1.00 25.53 H new ATOM 0 HG2 GLU A 113 2.745 -0.361 -12.558 1.00 22.34 H new ATOM 0 HG3 GLU A 113 2.973 1.266 -13.167 1.00 22.34 H new ATOM 1760 N LYS A 114 4.956 -0.132 -9.249 1.00 50.43 N ATOM 1761 CA LYS A 114 6.116 0.021 -8.395 1.00 11.44 C ATOM 1762 C LYS A 114 6.821 1.351 -8.668 1.00 73.33 C ATOM 1763 O LYS A 114 7.800 1.429 -9.417 1.00 42.22 O ATOM 1764 CB LYS A 114 7.059 -1.177 -8.548 1.00 33.30 C ATOM 1765 CG LYS A 114 7.481 -1.482 -9.975 1.00 1.33 C ATOM 1766 CD LYS A 114 8.371 -2.717 -10.046 1.00 50.43 C ATOM 1767 CE LYS A 114 7.604 -3.989 -9.713 1.00 3.11 C ATOM 1768 NZ LYS A 114 8.477 -5.198 -9.736 1.00 64.10 N ATOM 0 H LYS A 114 5.099 -0.733 -10.061 1.00 50.43 H new ATOM 0 HA LYS A 114 5.786 0.043 -7.356 1.00 11.44 H new ATOM 0 HB2 LYS A 114 7.953 -0.995 -7.951 1.00 33.30 H new ATOM 0 HB3 LYS A 114 6.572 -2.059 -8.132 1.00 33.30 H new ATOM 0 HG2 LYS A 114 6.595 -1.635 -10.592 1.00 1.33 H new ATOM 0 HG3 LYS A 114 8.013 -0.625 -10.388 1.00 1.33 H new ATOM 0 HD2 LYS A 114 8.797 -2.801 -11.046 1.00 50.43 H new ATOM 0 HD3 LYS A 114 9.205 -2.604 -9.353 1.00 50.43 H new ATOM 0 HE2 LYS A 114 7.150 -3.890 -8.727 1.00 3.11 H new ATOM 0 HE3 LYS A 114 6.790 -4.117 -10.427 1.00 3.11 H new ATOM 0 HZ1 LYS A 114 7.911 -6.039 -9.503 1.00 64.10 H new ATOM 0 HZ2 LYS A 114 8.890 -5.310 -10.684 1.00 64.10 H new ATOM 0 HZ3 LYS A 114 9.239 -5.089 -9.037 1.00 64.10 H new ATOM 1782 N VAL A 115 6.284 2.403 -8.067 1.00 53.14 N ATOM 1783 CA VAL A 115 6.777 3.757 -8.268 1.00 13.31 C ATOM 1784 C VAL A 115 7.661 4.188 -7.102 1.00 4.42 C ATOM 1785 O VAL A 115 7.372 3.883 -5.948 1.00 52.32 O ATOM 1786 CB VAL A 115 5.601 4.755 -8.410 1.00 3.44 C ATOM 1787 CG1 VAL A 115 6.103 6.173 -8.650 1.00 61.43 C ATOM 1788 CG2 VAL A 115 4.670 4.322 -9.528 1.00 63.41 C ATOM 0 H VAL A 115 5.493 2.341 -7.426 1.00 53.14 H new ATOM 0 HA VAL A 115 7.364 3.761 -9.186 1.00 13.31 H new ATOM 0 HB VAL A 115 5.045 4.753 -7.472 1.00 3.44 H new ATOM 0 HG11 VAL A 115 5.253 6.849 -8.745 1.00 61.43 H new ATOM 0 HG12 VAL A 115 6.723 6.486 -7.810 1.00 61.43 H new ATOM 0 HG13 VAL A 115 6.692 6.200 -9.566 1.00 61.43 H new ATOM 0 HG21 VAL A 115 3.849 5.034 -9.614 1.00 63.41 H new ATOM 0 HG22 VAL A 115 5.221 4.288 -10.468 1.00 63.41 H new ATOM 0 HG23 VAL A 115 4.270 3.333 -9.306 1.00 63.41 H new ATOM 1798 N LYS A 116 8.748 4.874 -7.413 1.00 50.23 N ATOM 1799 CA LYS A 116 9.624 5.426 -6.392 1.00 43.10 C ATOM 1800 C LYS A 116 10.133 6.784 -6.853 1.00 10.44 C ATOM 1801 O LYS A 116 10.693 6.899 -7.944 1.00 75.50 O ATOM 1802 CB LYS A 116 10.804 4.486 -6.133 1.00 34.14 C ATOM 1803 CG LYS A 116 11.305 4.512 -4.696 1.00 14.52 C ATOM 1804 CD LYS A 116 10.281 3.908 -3.747 1.00 62.42 C ATOM 1805 CE LYS A 116 10.836 3.734 -2.340 1.00 41.04 C ATOM 1806 NZ LYS A 116 11.157 5.034 -1.692 1.00 32.22 N ATOM 0 H LYS A 116 9.046 5.063 -8.370 1.00 50.23 H new ATOM 0 HA LYS A 116 9.065 5.539 -5.463 1.00 43.10 H new ATOM 0 HB2 LYS A 116 10.508 3.468 -6.387 1.00 34.14 H new ATOM 0 HB3 LYS A 116 11.624 4.755 -6.799 1.00 34.14 H new ATOM 0 HG2 LYS A 116 12.242 3.959 -4.624 1.00 14.52 H new ATOM 0 HG3 LYS A 116 11.518 5.539 -4.400 1.00 14.52 H new ATOM 0 HD2 LYS A 116 9.399 4.547 -3.712 1.00 62.42 H new ATOM 0 HD3 LYS A 116 9.958 2.940 -4.131 1.00 62.42 H new ATOM 0 HE2 LYS A 116 10.110 3.197 -1.730 1.00 41.04 H new ATOM 0 HE3 LYS A 116 11.735 3.120 -2.381 1.00 41.04 H new ATOM 0 HZ1 LYS A 116 11.418 4.872 -0.699 1.00 32.22 H new ATOM 0 HZ2 LYS A 116 11.952 5.483 -2.190 1.00 32.22 H new ATOM 0 HZ3 LYS A 116 10.326 5.657 -1.734 1.00 32.22 H new ATOM 1820 N ALA A 117 9.914 7.812 -6.048 1.00 10.23 N ATOM 1821 CA ALA A 117 10.367 9.151 -6.399 1.00 72.02 C ATOM 1822 C ALA A 117 11.876 9.255 -6.246 1.00 43.25 C ATOM 1823 O ALA A 117 12.438 8.829 -5.237 1.00 41.11 O ATOM 1824 CB ALA A 117 9.668 10.198 -5.550 1.00 71.55 C ATOM 0 H ALA A 117 9.429 7.747 -5.153 1.00 10.23 H new ATOM 0 HA ALA A 117 10.111 9.338 -7.442 1.00 72.02 H new ATOM 0 HB1 ALA A 117 10.023 11.190 -5.830 1.00 71.55 H new ATOM 0 HB2 ALA A 117 8.592 10.138 -5.712 1.00 71.55 H new ATOM 0 HB3 ALA A 117 9.887 10.018 -4.497 1.00 71.55 H new ATOM 1830 N HIS A 118 12.528 9.810 -7.253 1.00 5.31 N ATOM 1831 CA HIS A 118 13.981 9.892 -7.256 1.00 55.31 C ATOM 1832 C HIS A 118 14.449 11.326 -7.063 1.00 75.33 C ATOM 1833 O HIS A 118 15.436 11.574 -6.368 1.00 23.21 O ATOM 1834 CB HIS A 118 14.550 9.341 -8.565 1.00 50.54 C ATOM 1835 CG HIS A 118 14.140 7.933 -8.860 1.00 11.31 C ATOM 1836 ND1 HIS A 118 13.779 7.505 -10.116 1.00 60.10 N ATOM 1837 CD2 HIS A 118 14.040 6.851 -8.054 1.00 23.31 C ATOM 1838 CE1 HIS A 118 13.475 6.222 -10.071 1.00 40.55 C ATOM 1839 NE2 HIS A 118 13.625 5.801 -8.832 1.00 14.34 N ATOM 0 H HIS A 118 12.078 10.209 -8.077 1.00 5.31 H new ATOM 0 HA HIS A 118 14.346 9.289 -6.424 1.00 55.31 H new ATOM 0 HB2 HIS A 118 14.230 9.982 -9.387 1.00 50.54 H new ATOM 0 HB3 HIS A 118 15.638 9.391 -8.526 1.00 50.54 H new ATOM 0 HD2 HIS A 118 14.248 6.820 -6.995 1.00 23.31 H new ATOM 0 HE1 HIS A 118 13.157 5.619 -10.909 1.00 40.55 H new ATOM 0 HE2 HIS A 118 13.459 4.849 -8.505 1.00 14.34 H new ATOM 1848 N SER A 119 13.731 12.267 -7.665 1.00 20.35 N ATOM 1849 CA SER A 119 14.140 13.664 -7.649 1.00 61.54 C ATOM 1850 C SER A 119 13.926 14.294 -6.271 1.00 65.33 C ATOM 1851 O SER A 119 14.707 15.147 -5.844 1.00 75.43 O ATOM 1852 CB SER A 119 13.370 14.429 -8.725 1.00 52.02 C ATOM 1853 OG SER A 119 13.507 13.785 -9.984 1.00 1.10 O ATOM 0 H SER A 119 12.863 12.087 -8.170 1.00 20.35 H new ATOM 0 HA SER A 119 15.207 13.719 -7.863 1.00 61.54 H new ATOM 0 HB2 SER A 119 12.316 14.490 -8.453 1.00 52.02 H new ATOM 0 HB3 SER A 119 13.742 15.451 -8.790 1.00 52.02 H new ATOM 0 HG SER A 119 13.007 14.285 -10.663 1.00 1.10 H new ATOM 1859 N GLY A 120 12.895 13.849 -5.560 1.00 64.44 N ATOM 1860 CA GLY A 120 12.677 14.330 -4.208 1.00 15.25 C ATOM 1861 C GLY A 120 11.233 14.682 -3.922 1.00 10.44 C ATOM 1862 O GLY A 120 10.803 15.816 -4.143 1.00 12.23 O ATOM 0 H GLY A 120 12.211 13.169 -5.892 1.00 64.44 H new ATOM 0 HA2 GLY A 120 13.004 13.567 -3.501 1.00 15.25 H new ATOM 0 HA3 GLY A 120 13.298 15.209 -4.038 1.00 15.25 H new ATOM 1866 N ASN A 121 10.476 13.706 -3.446 1.00 42.34 N ATOM 1867 CA ASN A 121 9.111 13.947 -3.000 1.00 62.10 C ATOM 1868 C ASN A 121 8.981 13.656 -1.514 1.00 34.30 C ATOM 1869 O ASN A 121 9.405 12.598 -1.048 1.00 4.43 O ATOM 1870 CB ASN A 121 8.108 13.103 -3.785 1.00 2.34 C ATOM 1871 CG ASN A 121 7.760 13.719 -5.124 1.00 44.44 C ATOM 1872 OD1 ASN A 121 7.809 14.937 -5.292 1.00 10.02 O ATOM 1873 ND2 ASN A 121 7.389 12.884 -6.080 1.00 1.24 N ATOM 0 H ASN A 121 10.784 12.737 -3.358 1.00 42.34 H new ATOM 0 HA ASN A 121 8.885 14.998 -3.182 1.00 62.10 H new ATOM 0 HB2 ASN A 121 8.520 12.106 -3.943 1.00 2.34 H new ATOM 0 HB3 ASN A 121 7.199 12.982 -3.196 1.00 2.34 H new ATOM 0 HD21 ASN A 121 7.130 13.243 -6.999 1.00 1.24 H new ATOM 0 HD22 ASN A 121 7.362 11.881 -5.899 1.00 1.24 H new ATOM 1880 N GLU A 122 8.383 14.587 -0.780 1.00 44.42 N ATOM 1881 CA GLU A 122 8.205 14.428 0.662 1.00 42.13 C ATOM 1882 C GLU A 122 7.311 13.238 0.967 1.00 10.41 C ATOM 1883 O GLU A 122 7.586 12.457 1.877 1.00 74.14 O ATOM 1884 CB GLU A 122 7.602 15.686 1.282 1.00 23.35 C ATOM 1885 CG GLU A 122 8.541 16.879 1.302 1.00 22.50 C ATOM 1886 CD GLU A 122 8.004 18.018 2.146 1.00 63.10 C ATOM 1887 OE1 GLU A 122 7.149 17.763 3.022 1.00 33.15 O ATOM 1888 OE2 GLU A 122 8.451 19.170 1.957 1.00 3.43 O ATOM 0 H GLU A 122 8.013 15.459 -1.157 1.00 44.42 H new ATOM 0 HA GLU A 122 9.190 14.257 1.096 1.00 42.13 H new ATOM 0 HB2 GLU A 122 6.702 15.955 0.729 1.00 23.35 H new ATOM 0 HB3 GLU A 122 7.294 15.463 2.303 1.00 23.35 H new ATOM 0 HG2 GLU A 122 9.511 16.569 1.689 1.00 22.50 H new ATOM 0 HG3 GLU A 122 8.702 17.229 0.282 1.00 22.50 H new ATOM 1895 N PHE A 123 6.254 13.103 0.183 1.00 11.00 N ATOM 1896 CA PHE A 123 5.290 12.021 0.362 1.00 25.15 C ATOM 1897 C PHE A 123 5.980 10.671 0.204 1.00 11.25 C ATOM 1898 O PHE A 123 5.707 9.730 0.947 1.00 62.31 O ATOM 1899 CB PHE A 123 4.156 12.149 -0.658 1.00 20.33 C ATOM 1900 CG PHE A 123 3.615 13.545 -0.780 1.00 24.24 C ATOM 1901 CD1 PHE A 123 2.926 14.134 0.268 1.00 51.23 C ATOM 1902 CD2 PHE A 123 3.806 14.273 -1.945 1.00 61.34 C ATOM 1903 CE1 PHE A 123 2.439 15.423 0.156 1.00 2.31 C ATOM 1904 CE2 PHE A 123 3.319 15.561 -2.062 1.00 11.43 C ATOM 1905 CZ PHE A 123 2.636 16.137 -1.010 1.00 73.41 C ATOM 0 H PHE A 123 6.038 13.732 -0.590 1.00 11.00 H new ATOM 0 HA PHE A 123 4.872 12.090 1.366 1.00 25.15 H new ATOM 0 HB2 PHE A 123 4.516 11.821 -1.633 1.00 20.33 H new ATOM 0 HB3 PHE A 123 3.346 11.477 -0.375 1.00 20.33 H new ATOM 0 HD1 PHE A 123 2.768 13.580 1.182 1.00 51.23 H new ATOM 0 HD2 PHE A 123 4.342 13.828 -2.771 1.00 61.34 H new ATOM 0 HE1 PHE A 123 1.904 15.872 0.980 1.00 2.31 H new ATOM 0 HE2 PHE A 123 3.473 16.116 -2.976 1.00 11.43 H new ATOM 0 HZ PHE A 123 2.256 17.144 -1.098 1.00 73.41 H new ATOM 1915 N ASN A 124 6.890 10.602 -0.759 1.00 51.13 N ATOM 1916 CA ASN A 124 7.654 9.390 -1.023 1.00 51.14 C ATOM 1917 C ASN A 124 8.632 9.109 0.109 1.00 32.44 C ATOM 1918 O ASN A 124 8.699 7.994 0.615 1.00 20.35 O ATOM 1919 CB ASN A 124 8.410 9.522 -2.351 1.00 71.25 C ATOM 1920 CG ASN A 124 9.464 8.441 -2.562 1.00 52.13 C ATOM 1921 OD1 ASN A 124 9.166 7.345 -3.037 1.00 44.23 O ATOM 1922 ND2 ASN A 124 10.712 8.760 -2.248 1.00 23.14 N ATOM 0 H ASN A 124 7.119 11.381 -1.377 1.00 51.13 H new ATOM 0 HA ASN A 124 6.958 8.554 -1.090 1.00 51.14 H new ATOM 0 HB2 ASN A 124 7.694 9.485 -3.172 1.00 71.25 H new ATOM 0 HB3 ASN A 124 8.891 10.499 -2.390 1.00 71.25 H new ATOM 0 HD21 ASN A 124 11.464 8.087 -2.398 1.00 23.14 H new ATOM 0 HD22 ASN A 124 10.920 9.678 -1.856 1.00 23.14 H new ATOM 1929 N ASP A 125 9.373 10.136 0.507 1.00 34.21 N ATOM 1930 CA ASP A 125 10.417 9.986 1.516 1.00 70.11 C ATOM 1931 C ASP A 125 9.818 9.664 2.881 1.00 13.23 C ATOM 1932 O ASP A 125 10.386 8.890 3.649 1.00 40.04 O ATOM 1933 CB ASP A 125 11.254 11.264 1.601 1.00 72.21 C ATOM 1934 CG ASP A 125 12.560 11.061 2.342 1.00 1.03 C ATOM 1935 OD1 ASP A 125 12.565 11.124 3.589 1.00 2.05 O ATOM 1936 OD2 ASP A 125 13.595 10.863 1.674 1.00 35.34 O ATOM 0 H ASP A 125 9.271 11.084 0.146 1.00 34.21 H new ATOM 0 HA ASP A 125 11.058 9.156 1.220 1.00 70.11 H new ATOM 0 HB2 ASP A 125 11.465 11.623 0.594 1.00 72.21 H new ATOM 0 HB3 ASP A 125 10.674 12.040 2.101 1.00 72.21 H new ATOM 1941 N TYR A 126 8.661 10.253 3.166 1.00 43.10 N ATOM 1942 CA TYR A 126 7.988 10.051 4.445 1.00 73.42 C ATOM 1943 C TYR A 126 7.639 8.576 4.647 1.00 23.42 C ATOM 1944 O TYR A 126 8.037 7.967 5.640 1.00 52.53 O ATOM 1945 CB TYR A 126 6.712 10.900 4.515 1.00 13.32 C ATOM 1946 CG TYR A 126 6.215 11.175 5.921 1.00 1.54 C ATOM 1947 CD1 TYR A 126 6.131 10.162 6.871 1.00 25.51 C ATOM 1948 CD2 TYR A 126 5.833 12.457 6.296 1.00 20.24 C ATOM 1949 CE1 TYR A 126 5.680 10.417 8.147 1.00 71.41 C ATOM 1950 CE2 TYR A 126 5.380 12.719 7.575 1.00 52.53 C ATOM 1951 CZ TYR A 126 5.307 11.695 8.495 1.00 72.43 C ATOM 1952 OH TYR A 126 4.856 11.948 9.767 1.00 52.14 O ATOM 0 H TYR A 126 8.168 10.876 2.526 1.00 43.10 H new ATOM 0 HA TYR A 126 8.668 10.361 5.239 1.00 73.42 H new ATOM 0 HB2 TYR A 126 6.896 11.851 4.016 1.00 13.32 H new ATOM 0 HB3 TYR A 126 5.924 10.395 3.957 1.00 13.32 H new ATOM 0 HD1 TYR A 126 6.425 9.158 6.603 1.00 25.51 H new ATOM 0 HD2 TYR A 126 5.891 13.261 5.577 1.00 20.24 H new ATOM 0 HE1 TYR A 126 5.619 9.618 8.871 1.00 71.41 H new ATOM 0 HE2 TYR A 126 5.085 13.720 7.852 1.00 52.53 H new ATOM 0 HH TYR A 126 3.918 11.673 9.842 1.00 52.14 H new ATOM 1962 N VAL A 127 6.899 8.001 3.702 1.00 61.33 N ATOM 1963 CA VAL A 127 6.490 6.604 3.811 1.00 42.11 C ATOM 1964 C VAL A 127 7.689 5.677 3.667 1.00 61.22 C ATOM 1965 O VAL A 127 7.730 4.603 4.265 1.00 20.33 O ATOM 1966 CB VAL A 127 5.401 6.229 2.780 1.00 43.54 C ATOM 1967 CG1 VAL A 127 4.115 6.988 3.072 1.00 2.22 C ATOM 1968 CG2 VAL A 127 5.866 6.499 1.355 1.00 2.12 C ATOM 0 H VAL A 127 6.573 8.476 2.860 1.00 61.33 H new ATOM 0 HA VAL A 127 6.059 6.479 4.804 1.00 42.11 H new ATOM 0 HB VAL A 127 5.209 5.160 2.869 1.00 43.54 H new ATOM 0 HG11 VAL A 127 3.357 6.715 2.338 1.00 2.22 H new ATOM 0 HG12 VAL A 127 3.762 6.734 4.071 1.00 2.22 H new ATOM 0 HG13 VAL A 127 4.304 8.060 3.016 1.00 2.22 H new ATOM 0 HG21 VAL A 127 5.076 6.224 0.656 1.00 2.12 H new ATOM 0 HG22 VAL A 127 6.098 7.558 1.242 1.00 2.12 H new ATOM 0 HG23 VAL A 127 6.758 5.908 1.145 1.00 2.12 H new ATOM 1978 N ASP A 128 8.668 6.117 2.887 1.00 5.03 N ATOM 1979 CA ASP A 128 9.931 5.401 2.740 1.00 42.13 C ATOM 1980 C ASP A 128 10.623 5.286 4.096 1.00 73.02 C ATOM 1981 O ASP A 128 11.095 4.217 4.484 1.00 30.53 O ATOM 1982 CB ASP A 128 10.827 6.145 1.745 1.00 15.22 C ATOM 1983 CG ASP A 128 12.189 5.512 1.569 1.00 44.34 C ATOM 1984 OD1 ASP A 128 12.337 4.644 0.680 1.00 33.13 O ATOM 1985 OD2 ASP A 128 13.125 5.906 2.292 1.00 72.51 O ATOM 0 H ASP A 128 8.611 6.976 2.340 1.00 5.03 H new ATOM 0 HA ASP A 128 9.739 4.397 2.362 1.00 42.13 H new ATOM 0 HB2 ASP A 128 10.326 6.186 0.778 1.00 15.22 H new ATOM 0 HB3 ASP A 128 10.954 7.174 2.082 1.00 15.22 H new ATOM 1990 N MET A 129 10.650 6.399 4.819 1.00 54.32 N ATOM 1991 CA MET A 129 11.233 6.452 6.155 1.00 30.21 C ATOM 1992 C MET A 129 10.449 5.568 7.124 1.00 71.24 C ATOM 1993 O MET A 129 11.033 4.874 7.958 1.00 60.24 O ATOM 1994 CB MET A 129 11.243 7.897 6.662 1.00 25.12 C ATOM 1995 CG MET A 129 11.933 8.082 8.005 1.00 54.04 C ATOM 1996 SD MET A 129 11.848 9.783 8.600 1.00 50.31 S ATOM 1997 CE MET A 129 12.649 10.657 7.254 1.00 62.15 C ATOM 0 H MET A 129 10.269 7.289 4.497 1.00 54.32 H new ATOM 0 HA MET A 129 12.256 6.081 6.099 1.00 30.21 H new ATOM 0 HB2 MET A 129 11.738 8.526 5.922 1.00 25.12 H new ATOM 0 HB3 MET A 129 10.215 8.249 6.743 1.00 25.12 H new ATOM 0 HG2 MET A 129 11.473 7.421 8.740 1.00 54.04 H new ATOM 0 HG3 MET A 129 12.978 7.784 7.917 1.00 54.04 H new ATOM 0 HE1 MET A 129 12.992 11.630 7.605 1.00 62.15 H new ATOM 0 HE2 MET A 129 13.502 10.077 6.900 1.00 62.15 H new ATOM 0 HE3 MET A 129 11.940 10.795 6.437 1.00 62.15 H new ATOM 2007 N LYS A 130 9.122 5.590 7.004 1.00 0.22 N ATOM 2008 CA LYS A 130 8.256 4.799 7.875 1.00 41.14 C ATOM 2009 C LYS A 130 8.486 3.309 7.630 1.00 72.32 C ATOM 2010 O LYS A 130 8.577 2.522 8.574 1.00 32.22 O ATOM 2011 CB LYS A 130 6.782 5.161 7.636 1.00 63.41 C ATOM 2012 CG LYS A 130 5.906 5.101 8.888 1.00 24.23 C ATOM 2013 CD LYS A 130 5.539 3.678 9.291 1.00 72.34 C ATOM 2014 CE LYS A 130 4.785 3.666 10.615 1.00 21.23 C ATOM 2015 NZ LYS A 130 4.176 2.341 10.919 1.00 55.54 N ATOM 0 H LYS A 130 8.624 6.148 6.311 1.00 0.22 H new ATOM 0 HA LYS A 130 8.502 5.025 8.913 1.00 41.14 H new ATOM 0 HB2 LYS A 130 6.730 6.167 7.219 1.00 63.41 H new ATOM 0 HB3 LYS A 130 6.371 4.484 6.887 1.00 63.41 H new ATOM 0 HG2 LYS A 130 6.429 5.583 9.714 1.00 24.23 H new ATOM 0 HG3 LYS A 130 4.993 5.670 8.713 1.00 24.23 H new ATOM 0 HD2 LYS A 130 4.925 3.222 8.514 1.00 72.34 H new ATOM 0 HD3 LYS A 130 6.443 3.075 9.377 1.00 72.34 H new ATOM 0 HE2 LYS A 130 5.468 3.940 11.419 1.00 21.23 H new ATOM 0 HE3 LYS A 130 4.002 4.424 10.589 1.00 21.23 H new ATOM 0 HZ1 LYS A 130 3.140 2.432 10.940 1.00 55.54 H new ATOM 0 HZ2 LYS A 130 4.449 1.657 10.185 1.00 55.54 H new ATOM 0 HZ3 LYS A 130 4.514 2.008 11.845 1.00 55.54 H new ATOM 2029 N ALA A 131 8.598 2.930 6.361 1.00 32.01 N ATOM 2030 CA ALA A 131 8.867 1.542 5.995 1.00 32.11 C ATOM 2031 C ALA A 131 10.231 1.101 6.521 1.00 20.11 C ATOM 2032 O ALA A 131 10.377 0.002 7.054 1.00 11.10 O ATOM 2033 CB ALA A 131 8.791 1.365 4.485 1.00 61.43 C ATOM 0 H ALA A 131 8.507 3.564 5.568 1.00 32.01 H new ATOM 0 HA ALA A 131 8.105 0.912 6.454 1.00 32.11 H new ATOM 0 HB1 ALA A 131 8.994 0.325 4.230 1.00 61.43 H new ATOM 0 HB2 ALA A 131 7.794 1.636 4.137 1.00 61.43 H new ATOM 0 HB3 ALA A 131 9.530 2.007 4.006 1.00 61.43 H new ATOM 2039 N LYS A 132 11.226 1.976 6.383 1.00 41.11 N ATOM 2040 CA LYS A 132 12.565 1.703 6.893 1.00 35.52 C ATOM 2041 C LYS A 132 12.560 1.598 8.413 1.00 42.43 C ATOM 2042 O LYS A 132 13.294 0.795 8.989 1.00 1.40 O ATOM 2043 CB LYS A 132 13.543 2.787 6.439 1.00 13.21 C ATOM 2044 CG LYS A 132 13.943 2.664 4.981 1.00 41.11 C ATOM 2045 CD LYS A 132 14.725 3.877 4.512 1.00 61.34 C ATOM 2046 CE LYS A 132 15.178 3.715 3.074 1.00 73.03 C ATOM 2047 NZ LYS A 132 15.560 5.015 2.472 1.00 4.12 N ATOM 0 H LYS A 132 11.128 2.880 5.922 1.00 41.11 H new ATOM 0 HA LYS A 132 12.891 0.746 6.487 1.00 35.52 H new ATOM 0 HB2 LYS A 132 13.091 3.765 6.603 1.00 13.21 H new ATOM 0 HB3 LYS A 132 14.438 2.741 7.059 1.00 13.21 H new ATOM 0 HG2 LYS A 132 14.546 1.766 4.843 1.00 41.11 H new ATOM 0 HG3 LYS A 132 13.050 2.546 4.367 1.00 41.11 H new ATOM 0 HD2 LYS A 132 14.106 4.769 4.603 1.00 61.34 H new ATOM 0 HD3 LYS A 132 15.593 4.024 5.155 1.00 61.34 H new ATOM 0 HE2 LYS A 132 16.026 3.032 3.034 1.00 73.03 H new ATOM 0 HE3 LYS A 132 14.377 3.264 2.488 1.00 73.03 H new ATOM 0 HZ1 LYS A 132 15.896 4.862 1.500 1.00 4.12 H new ATOM 0 HZ2 LYS A 132 14.734 5.647 2.457 1.00 4.12 H new ATOM 0 HZ3 LYS A 132 16.318 5.450 3.036 1.00 4.12 H new ATOM 2061 N SER A 133 11.725 2.398 9.062 1.00 41.02 N ATOM 2062 CA SER A 133 11.588 2.341 10.511 1.00 62.45 C ATOM 2063 C SER A 133 11.095 0.961 10.947 1.00 21.50 C ATOM 2064 O SER A 133 11.570 0.410 11.941 1.00 25.11 O ATOM 2065 CB SER A 133 10.633 3.428 11.002 1.00 50.01 C ATOM 2066 OG SER A 133 11.104 4.718 10.642 1.00 1.34 O ATOM 0 H SER A 133 11.133 3.094 8.609 1.00 41.02 H new ATOM 0 HA SER A 133 12.567 2.516 10.957 1.00 62.45 H new ATOM 0 HB2 SER A 133 9.643 3.267 10.577 1.00 50.01 H new ATOM 0 HB3 SER A 133 10.529 3.364 12.085 1.00 50.01 H new ATOM 0 HG SER A 133 10.960 4.863 9.684 1.00 1.34 H new ATOM 2072 N ALA A 134 10.169 0.399 10.172 1.00 0.21 N ATOM 2073 CA ALA A 134 9.625 -0.925 10.452 1.00 20.24 C ATOM 2074 C ALA A 134 10.643 -2.016 10.119 1.00 23.03 C ATOM 2075 O ALA A 134 10.565 -3.132 10.629 1.00 3.45 O ATOM 2076 CB ALA A 134 8.339 -1.138 9.668 1.00 41.22 C ATOM 0 H ALA A 134 9.779 0.844 9.341 1.00 0.21 H new ATOM 0 HA ALA A 134 9.402 -0.987 11.517 1.00 20.24 H new ATOM 0 HB1 ALA A 134 7.941 -2.129 9.884 1.00 41.22 H new ATOM 0 HB2 ALA A 134 7.608 -0.383 9.956 1.00 41.22 H new ATOM 0 HB3 ALA A 134 8.545 -1.055 8.601 1.00 41.22 H new ATOM 2082 N LEU A 135 11.604 -1.680 9.267 1.00 10.33 N ATOM 2083 CA LEU A 135 12.670 -2.604 8.903 1.00 25.21 C ATOM 2084 C LEU A 135 13.728 -2.615 9.991 1.00 41.32 C ATOM 2085 O LEU A 135 14.559 -3.518 10.064 1.00 0.53 O ATOM 2086 CB LEU A 135 13.308 -2.193 7.572 1.00 44.35 C ATOM 2087 CG LEU A 135 12.440 -2.393 6.328 1.00 64.20 C ATOM 2088 CD1 LEU A 135 13.027 -1.634 5.147 1.00 1.55 C ATOM 2089 CD2 LEU A 135 12.322 -3.875 5.998 1.00 32.12 C ATOM 0 H LEU A 135 11.666 -0.769 8.813 1.00 10.33 H new ATOM 0 HA LEU A 135 12.244 -3.602 8.794 1.00 25.21 H new ATOM 0 HB2 LEU A 135 13.585 -1.141 7.633 1.00 44.35 H new ATOM 0 HB3 LEU A 135 14.231 -2.759 7.443 1.00 44.35 H new ATOM 0 HG LEU A 135 11.443 -2.002 6.533 1.00 64.20 H new ATOM 0 HD11 LEU A 135 12.399 -1.785 4.269 1.00 1.55 H new ATOM 0 HD12 LEU A 135 13.070 -0.571 5.383 1.00 1.55 H new ATOM 0 HD13 LEU A 135 14.032 -2.001 4.942 1.00 1.55 H new ATOM 0 HD21 LEU A 135 11.702 -4.002 5.111 1.00 32.12 H new ATOM 0 HD22 LEU A 135 13.314 -4.286 5.809 1.00 32.12 H new ATOM 0 HD23 LEU A 135 11.866 -4.400 6.838 1.00 32.12 H new ATOM 2101 N GLY A 136 13.680 -1.597 10.838 1.00 1.22 N ATOM 2102 CA GLY A 136 14.665 -1.455 11.878 1.00 20.31 C ATOM 2103 C GLY A 136 15.837 -0.614 11.423 1.00 41.54 C ATOM 2104 O GLY A 136 16.892 -0.606 12.052 1.00 53.14 O ATOM 0 H GLY A 136 12.970 -0.865 10.819 1.00 1.22 H new ATOM 0 HA2 GLY A 136 14.206 -0.997 12.754 1.00 20.31 H new ATOM 0 HA3 GLY A 136 15.019 -2.440 12.182 1.00 20.31 H new ATOM 2108 N ILE A 137 15.641 0.108 10.327 1.00 5.13 N ATOM 2109 CA ILE A 137 16.697 0.928 9.754 1.00 20.04 C ATOM 2110 C ILE A 137 16.859 2.226 10.537 1.00 11.30 C ATOM 2111 O ILE A 137 16.143 3.202 10.307 1.00 12.33 O ATOM 2112 CB ILE A 137 16.429 1.257 8.268 1.00 43.33 C ATOM 2113 CG1 ILE A 137 16.269 -0.029 7.449 1.00 15.25 C ATOM 2114 CG2 ILE A 137 17.548 2.118 7.694 1.00 43.54 C ATOM 2115 CD1 ILE A 137 17.486 -0.926 7.478 1.00 62.34 C ATOM 0 H ILE A 137 14.758 0.141 9.817 1.00 5.13 H new ATOM 0 HA ILE A 137 17.617 0.347 9.817 1.00 20.04 H new ATOM 0 HB ILE A 137 15.498 1.821 8.209 1.00 43.33 H new ATOM 0 HG12 ILE A 137 15.411 -0.585 7.826 1.00 15.25 H new ATOM 0 HG13 ILE A 137 16.048 0.235 6.415 1.00 15.25 H new ATOM 0 HG21 ILE A 137 17.338 2.337 6.647 1.00 43.54 H new ATOM 0 HG22 ILE A 137 17.613 3.051 8.254 1.00 43.54 H new ATOM 0 HG23 ILE A 137 18.494 1.583 7.770 1.00 43.54 H new ATOM 0 HD11 ILE A 137 17.297 -1.815 6.876 1.00 62.34 H new ATOM 0 HD12 ILE A 137 18.344 -0.389 7.073 1.00 62.34 H new ATOM 0 HD13 ILE A 137 17.696 -1.221 8.506 1.00 62.34 H new