USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=27 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 17 ASN : amide:sc= 0.326 K(o=1.4,f=-8.6!) USER MOD Set 1.2: A 132 LYS NZ :NH3+ -174:sc= 1.06 (180deg=-0.305) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 40:sc= 1.27 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -60:sc=-0.00118 USER MOD Single : A 14 SER OG : rot 180:sc= 0.0426 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.806 K(o=-0.81,f=-3!) USER MOD Single : A 20 TYR OH : rot 30:sc= -0.0544 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -141:sc= -0.142 (180deg=-2.57!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HE2:sc=-0.00256! C(o=-0.0026!,f=-6.4!) 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 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -139:sc= -2.87! (180deg=-5.78!) USER MOD Single : A 50 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.13) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -166:sc= -0.0364 (180deg=-0.244) USER MOD Single : A 64 LYS NZ :NH3+ -162:sc= -0.0307 (180deg=-0.299) USER MOD Single : A 66 SER OG : rot -74:sc= 1.2 USER MOD Single : A 67 GLN : amide:sc= -0.931 K(o=-0.93,f=-0.0053) USER MOD Single : A 71 LYS NZ :NH3+ -172:sc= 1.27 (180deg=1.08) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot -12:sc= 1.04 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.128) USER MOD Single : A 118 HIS : no HD1:sc= -0.0344 X(o=-0.034,f=-0.013) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 121 ASN : amide:sc= -0.633 K(o=-0.63,f=-9.9!) USER MOD Single : A 124 ASN : amide:sc= 1.05 K(o=1,f=-6.1!) USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 MET CE :methyl 160:sc= -0.111 (180deg=-0.653) USER MOD Single : A 130 LYS NZ :NH3+ -144:sc= 1.6 (180deg=0.941) USER MOD Single : A 133 SER OG : rot 30:sc= -0.239 USER MOD ----------------------------------------------------------------- ATOM 32 N ASP A 3 -13.649 12.581 -0.869 1.00 34.41 N ATOM 33 CA ASP A 3 -12.427 12.013 -1.422 1.00 14.33 C ATOM 34 C ASP A 3 -12.764 10.784 -2.254 1.00 32.42 C ATOM 35 O ASP A 3 -11.926 9.909 -2.465 1.00 64.12 O ATOM 36 CB ASP A 3 -11.453 11.643 -0.295 1.00 1.22 C ATOM 37 CG ASP A 3 -11.997 10.575 0.640 1.00 14.45 C ATOM 38 OD1 ASP A 3 -12.856 10.899 1.486 1.00 52.03 O ATOM 39 OD2 ASP A 3 -11.560 9.409 0.544 1.00 35.22 O ATOM 0 HA ASP A 3 -11.948 12.755 -2.061 1.00 14.33 H new ATOM 0 HB2 ASP A 3 -10.518 11.292 -0.732 1.00 1.22 H new ATOM 0 HB3 ASP A 3 -11.219 12.537 0.282 1.00 1.22 H new ATOM 44 N ARG A 4 -13.986 10.760 -2.770 1.00 41.12 N ATOM 45 CA ARG A 4 -14.531 9.573 -3.422 1.00 22.32 C ATOM 46 C ARG A 4 -14.127 9.468 -4.891 1.00 13.41 C ATOM 47 O ARG A 4 -14.475 8.497 -5.562 1.00 15.30 O ATOM 48 CB ARG A 4 -16.058 9.581 -3.320 1.00 24.32 C ATOM 49 CG ARG A 4 -16.584 9.365 -1.911 1.00 54.42 C ATOM 50 CD ARG A 4 -18.086 9.593 -1.836 1.00 75.22 C ATOM 51 NE ARG A 4 -18.806 8.854 -2.874 1.00 34.35 N ATOM 52 CZ ARG A 4 -19.991 8.270 -2.698 1.00 23.34 C ATOM 53 NH1 ARG A 4 -20.604 8.338 -1.522 1.00 71.40 N ATOM 54 NH2 ARG A 4 -20.573 7.638 -3.707 1.00 50.12 N ATOM 0 H ARG A 4 -14.624 11.555 -2.750 1.00 41.12 H new ATOM 0 HA ARG A 4 -14.116 8.708 -2.904 1.00 22.32 H new ATOM 0 HB2 ARG A 4 -16.432 10.534 -3.694 1.00 24.32 H new ATOM 0 HB3 ARG A 4 -16.459 8.804 -3.970 1.00 24.32 H new ATOM 0 HG2 ARG A 4 -16.352 8.351 -1.586 1.00 54.42 H new ATOM 0 HG3 ARG A 4 -16.077 10.043 -1.224 1.00 54.42 H new ATOM 0 HD2 ARG A 4 -18.450 9.288 -0.855 1.00 75.22 H new ATOM 0 HD3 ARG A 4 -18.296 10.658 -1.937 1.00 75.22 H new ATOM 0 HE ARG A 4 -18.372 8.781 -3.794 1.00 34.35 H new ATOM 0 HH11 ARG A 4 -20.168 8.839 -0.748 1.00 71.40 H new ATOM 0 HH12 ARG A 4 -21.511 7.889 -1.393 1.00 71.40 H new ATOM 0 HH21 ARG A 4 -20.114 7.599 -4.617 1.00 50.12 H new ATOM 0 HH22 ARG A 4 -21.480 7.191 -3.574 1.00 50.12 H new ATOM 68 N THR A 5 -13.399 10.447 -5.397 1.00 34.13 N ATOM 69 CA THR A 5 -13.065 10.464 -6.816 1.00 51.35 C ATOM 70 C THR A 5 -11.566 10.331 -7.081 1.00 40.24 C ATOM 71 O THR A 5 -10.828 11.318 -7.041 1.00 63.02 O ATOM 72 CB THR A 5 -13.604 11.737 -7.497 1.00 42.44 C ATOM 73 OG1 THR A 5 -13.474 12.856 -6.607 1.00 12.44 O ATOM 74 CG2 THR A 5 -15.061 11.567 -7.900 1.00 42.12 C ATOM 0 H THR A 5 -13.031 11.231 -4.859 1.00 34.13 H new ATOM 0 HA THR A 5 -13.549 9.588 -7.247 1.00 51.35 H new ATOM 0 HB THR A 5 -13.018 11.916 -8.399 1.00 42.44 H new ATOM 0 HG1 THR A 5 -13.816 13.663 -7.044 1.00 12.44 H new ATOM 0 HG21 THR A 5 -15.415 12.480 -8.378 1.00 42.12 H new ATOM 0 HG22 THR A 5 -15.151 10.734 -8.597 1.00 42.12 H new ATOM 0 HG23 THR A 5 -15.662 11.365 -7.014 1.00 42.12 H new ATOM 82 N GLU A 6 -11.146 9.086 -7.342 1.00 15.22 N ATOM 83 CA GLU A 6 -9.795 8.759 -7.816 1.00 71.05 C ATOM 84 C GLU A 6 -8.710 9.082 -6.779 1.00 72.03 C ATOM 85 O GLU A 6 -8.599 10.206 -6.291 1.00 3.35 O ATOM 86 CB GLU A 6 -9.522 9.463 -9.150 1.00 21.45 C ATOM 87 CG GLU A 6 -8.286 8.952 -9.869 1.00 13.02 C ATOM 88 CD GLU A 6 -8.312 9.262 -11.350 1.00 30.03 C ATOM 89 OE1 GLU A 6 -8.879 8.455 -12.116 1.00 30.45 O ATOM 90 OE2 GLU A 6 -7.766 10.310 -11.753 1.00 22.03 O ATOM 0 H GLU A 6 -11.743 8.267 -7.228 1.00 15.22 H new ATOM 0 HA GLU A 6 -9.753 7.681 -7.971 1.00 71.05 H new ATOM 0 HB2 GLU A 6 -10.388 9.338 -9.800 1.00 21.45 H new ATOM 0 HB3 GLU A 6 -9.411 10.532 -8.970 1.00 21.45 H new ATOM 0 HG2 GLU A 6 -7.398 9.399 -9.422 1.00 13.02 H new ATOM 0 HG3 GLU A 6 -8.206 7.874 -9.727 1.00 13.02 H new ATOM 97 N TYR A 7 -7.895 8.087 -6.457 1.00 73.21 N ATOM 98 CA TYR A 7 -6.868 8.245 -5.432 1.00 74.14 C ATOM 99 C TYR A 7 -5.469 8.260 -6.034 1.00 51.53 C ATOM 100 O TYR A 7 -5.098 7.368 -6.801 1.00 65.30 O ATOM 101 CB TYR A 7 -6.956 7.117 -4.402 1.00 64.13 C ATOM 102 CG TYR A 7 -8.187 7.168 -3.525 1.00 54.35 C ATOM 103 CD1 TYR A 7 -8.178 7.879 -2.330 1.00 71.11 C ATOM 104 CD2 TYR A 7 -9.353 6.498 -3.880 1.00 64.10 C ATOM 105 CE1 TYR A 7 -9.292 7.920 -1.516 1.00 45.10 C ATOM 106 CE2 TYR A 7 -10.474 6.539 -3.071 1.00 2.41 C ATOM 107 CZ TYR A 7 -10.437 7.250 -1.890 1.00 2.14 C ATOM 108 OH TYR A 7 -11.546 7.289 -1.077 1.00 65.12 O ATOM 0 H TYR A 7 -7.923 7.163 -6.889 1.00 73.21 H new ATOM 0 HA TYR A 7 -7.049 9.203 -4.945 1.00 74.14 H new ATOM 0 HB2 TYR A 7 -6.937 6.161 -4.925 1.00 64.13 H new ATOM 0 HB3 TYR A 7 -6.071 7.151 -3.767 1.00 64.13 H new ATOM 0 HD1 TYR A 7 -7.284 8.408 -2.034 1.00 71.11 H new ATOM 0 HD2 TYR A 7 -9.384 5.937 -4.802 1.00 64.10 H new ATOM 0 HE1 TYR A 7 -9.267 8.475 -0.590 1.00 45.10 H new ATOM 0 HE2 TYR A 7 -11.373 6.017 -3.363 1.00 2.41 H new ATOM 0 HH TYR A 7 -11.649 8.191 -0.707 1.00 65.12 H new ATOM 118 N ASP A 8 -4.699 9.278 -5.679 1.00 3.45 N ATOM 119 CA ASP A 8 -3.283 9.336 -6.029 1.00 53.54 C ATOM 120 C ASP A 8 -2.459 9.001 -4.793 1.00 3.41 C ATOM 121 O ASP A 8 -2.389 9.786 -3.857 1.00 75.02 O ATOM 122 CB ASP A 8 -2.912 10.723 -6.567 1.00 22.32 C ATOM 123 CG ASP A 8 -1.447 10.836 -6.953 1.00 0.23 C ATOM 124 OD1 ASP A 8 -0.987 10.052 -7.811 1.00 0.22 O ATOM 125 OD2 ASP A 8 -0.755 11.732 -6.422 1.00 63.14 O ATOM 0 H ASP A 8 -5.032 10.081 -5.145 1.00 3.45 H new ATOM 0 HA ASP A 8 -3.073 8.612 -6.816 1.00 53.54 H new ATOM 0 HB2 ASP A 8 -3.530 10.947 -7.437 1.00 22.32 H new ATOM 0 HB3 ASP A 8 -3.142 11.474 -5.811 1.00 22.32 H new ATOM 130 N VAL A 9 -1.849 7.828 -4.801 1.00 51.33 N ATOM 131 CA VAL A 9 -1.236 7.257 -3.606 1.00 71.44 C ATOM 132 C VAL A 9 0.261 7.559 -3.561 1.00 24.51 C ATOM 133 O VAL A 9 0.947 7.474 -4.580 1.00 15.32 O ATOM 134 CB VAL A 9 -1.467 5.726 -3.565 1.00 4.42 C ATOM 135 CG1 VAL A 9 -1.008 5.127 -2.247 1.00 52.33 C ATOM 136 CG2 VAL A 9 -2.933 5.403 -3.810 1.00 45.34 C ATOM 0 H VAL A 9 -1.763 7.243 -5.632 1.00 51.33 H new ATOM 0 HA VAL A 9 -1.705 7.713 -2.734 1.00 71.44 H new ATOM 0 HB VAL A 9 -0.869 5.280 -4.359 1.00 4.42 H new ATOM 0 HG11 VAL A 9 -1.186 4.052 -2.255 1.00 52.33 H new ATOM 0 HG12 VAL A 9 0.057 5.318 -2.112 1.00 52.33 H new ATOM 0 HG13 VAL A 9 -1.565 5.581 -1.427 1.00 52.33 H new ATOM 0 HG21 VAL A 9 -3.078 4.323 -3.778 1.00 45.34 H new ATOM 0 HG22 VAL A 9 -3.543 5.874 -3.039 1.00 45.34 H new ATOM 0 HG23 VAL A 9 -3.230 5.780 -4.789 1.00 45.34 H new ATOM 146 N TYR A 10 0.757 7.938 -2.385 1.00 50.13 N ATOM 147 CA TYR A 10 2.161 8.311 -2.231 1.00 3.33 C ATOM 148 C TYR A 10 3.013 7.123 -1.787 1.00 55.05 C ATOM 149 O TYR A 10 2.488 6.061 -1.449 1.00 51.41 O ATOM 150 CB TYR A 10 2.315 9.451 -1.218 1.00 61.44 C ATOM 151 CG TYR A 10 1.661 10.751 -1.636 1.00 50.22 C ATOM 152 CD1 TYR A 10 1.662 11.162 -2.962 1.00 12.12 C ATOM 153 CD2 TYR A 10 1.044 11.567 -0.698 1.00 62.04 C ATOM 154 CE1 TYR A 10 1.064 12.348 -3.343 1.00 40.21 C ATOM 155 CE2 TYR A 10 0.444 12.756 -1.070 1.00 54.53 C ATOM 156 CZ TYR A 10 0.458 13.142 -2.392 1.00 1.42 C ATOM 157 OH TYR A 10 -0.138 14.325 -2.765 1.00 73.33 O ATOM 0 H TYR A 10 0.209 7.995 -1.527 1.00 50.13 H new ATOM 0 HA TYR A 10 2.511 8.645 -3.208 1.00 3.33 H new ATOM 0 HB2 TYR A 10 1.890 9.134 -0.265 1.00 61.44 H new ATOM 0 HB3 TYR A 10 3.377 9.630 -1.049 1.00 61.44 H new ATOM 0 HD1 TYR A 10 2.138 10.544 -3.709 1.00 12.12 H new ATOM 0 HD2 TYR A 10 1.032 11.268 0.340 1.00 62.04 H new ATOM 0 HE1 TYR A 10 1.071 12.651 -4.379 1.00 40.21 H new ATOM 0 HE2 TYR A 10 -0.033 13.379 -0.328 1.00 54.53 H new ATOM 0 HH TYR A 10 -0.519 14.763 -1.975 1.00 73.33 H new ATOM 167 N THR A 11 4.330 7.344 -1.774 1.00 43.30 N ATOM 168 CA THR A 11 5.316 6.334 -1.398 1.00 51.14 C ATOM 169 C THR A 11 5.378 5.200 -2.419 1.00 75.12 C ATOM 170 O THR A 11 4.524 4.325 -2.445 1.00 61.34 O ATOM 171 CB THR A 11 5.047 5.758 0.005 1.00 54.31 C ATOM 172 OG1 THR A 11 4.919 6.830 0.945 1.00 12.42 O ATOM 173 CG2 THR A 11 6.179 4.840 0.435 1.00 63.21 C ATOM 0 H THR A 11 4.744 8.241 -2.028 1.00 43.30 H new ATOM 0 HA THR A 11 6.281 6.841 -1.380 1.00 51.14 H new ATOM 0 HB THR A 11 4.123 5.181 -0.027 1.00 54.31 H new ATOM 0 HG1 THR A 11 5.749 7.351 0.962 1.00 12.42 H new ATOM 0 HG21 THR A 11 5.969 4.444 1.429 1.00 63.21 H new ATOM 0 HG22 THR A 11 6.268 4.016 -0.273 1.00 63.21 H new ATOM 0 HG23 THR A 11 7.113 5.401 0.458 1.00 63.21 H new ATOM 181 N ASP A 12 6.417 5.216 -3.245 1.00 74.32 N ATOM 182 CA ASP A 12 6.581 4.217 -4.299 1.00 63.33 C ATOM 183 C ASP A 12 6.909 2.852 -3.698 1.00 24.21 C ATOM 184 O ASP A 12 6.752 1.815 -4.344 1.00 2.23 O ATOM 185 CB ASP A 12 7.692 4.656 -5.262 1.00 15.41 C ATOM 186 CG ASP A 12 7.856 3.723 -6.451 1.00 44.24 C ATOM 187 OD1 ASP A 12 7.026 3.787 -7.381 1.00 11.52 O ATOM 188 OD2 ASP A 12 8.832 2.939 -6.471 1.00 24.12 O ATOM 0 H ASP A 12 7.162 5.912 -3.207 1.00 74.32 H new ATOM 0 HA ASP A 12 5.645 4.131 -4.851 1.00 63.33 H new ATOM 0 HB2 ASP A 12 7.474 5.661 -5.624 1.00 15.41 H new ATOM 0 HB3 ASP A 12 8.635 4.710 -4.718 1.00 15.41 H new ATOM 193 N GLY A 13 7.336 2.862 -2.441 1.00 0.15 N ATOM 194 CA GLY A 13 7.745 1.636 -1.786 1.00 65.42 C ATOM 195 C GLY A 13 9.122 1.219 -2.244 1.00 13.22 C ATOM 196 O GLY A 13 9.409 0.034 -2.408 1.00 3.53 O ATOM 0 H GLY A 13 7.406 3.700 -1.863 1.00 0.15 H new ATOM 0 HA2 GLY A 13 7.743 1.777 -0.705 1.00 65.42 H new ATOM 0 HA3 GLY A 13 7.028 0.844 -2.005 1.00 65.42 H new ATOM 200 N SER A 14 9.963 2.214 -2.461 1.00 62.11 N ATOM 201 CA SER A 14 11.297 1.996 -2.979 1.00 12.45 C ATOM 202 C SER A 14 12.333 1.990 -1.860 1.00 13.33 C ATOM 203 O SER A 14 12.137 2.618 -0.818 1.00 32.21 O ATOM 204 CB SER A 14 11.616 3.090 -3.998 1.00 70.41 C ATOM 205 OG SER A 14 11.199 4.368 -3.532 1.00 54.31 O ATOM 0 H SER A 14 9.739 3.193 -2.283 1.00 62.11 H new ATOM 0 HA SER A 14 11.335 1.019 -3.461 1.00 12.45 H new ATOM 0 HB2 SER A 14 12.688 3.105 -4.196 1.00 70.41 H new ATOM 0 HB3 SER A 14 11.121 2.866 -4.943 1.00 70.41 H new ATOM 0 HG SER A 14 11.417 5.048 -4.203 1.00 54.31 H new ATOM 211 N TYR A 15 13.426 1.264 -2.073 1.00 33.45 N ATOM 212 CA TYR A 15 14.538 1.268 -1.134 1.00 13.43 C ATOM 213 C TYR A 15 15.151 2.663 -1.079 1.00 73.22 C ATOM 214 O TYR A 15 15.261 3.339 -2.106 1.00 43.22 O ATOM 215 CB TYR A 15 15.594 0.226 -1.538 1.00 51.42 C ATOM 216 CG TYR A 15 16.203 0.452 -2.909 1.00 14.34 C ATOM 217 CD1 TYR A 15 15.563 0.006 -4.059 1.00 74.03 C ATOM 218 CD2 TYR A 15 17.418 1.111 -3.049 1.00 44.13 C ATOM 219 CE1 TYR A 15 16.116 0.213 -5.309 1.00 2.45 C ATOM 220 CE2 TYR A 15 17.977 1.320 -4.295 1.00 75.22 C ATOM 221 CZ TYR A 15 17.323 0.870 -5.419 1.00 1.52 C ATOM 222 OH TYR A 15 17.876 1.080 -6.662 1.00 34.30 O ATOM 0 H TYR A 15 13.564 0.666 -2.888 1.00 33.45 H new ATOM 0 HA TYR A 15 14.169 1.002 -0.144 1.00 13.43 H new ATOM 0 HB2 TYR A 15 16.391 0.227 -0.795 1.00 51.42 H new ATOM 0 HB3 TYR A 15 15.138 -0.764 -1.515 1.00 51.42 H new ATOM 0 HD1 TYR A 15 14.618 -0.511 -3.975 1.00 74.03 H new ATOM 0 HD2 TYR A 15 17.934 1.466 -2.169 1.00 44.13 H new ATOM 0 HE1 TYR A 15 15.606 -0.138 -6.194 1.00 2.45 H new ATOM 0 HE2 TYR A 15 18.922 1.834 -4.386 1.00 75.22 H new ATOM 0 HH TYR A 15 18.726 1.558 -6.565 1.00 34.30 H new ATOM 232 N VAL A 16 15.539 3.094 0.109 1.00 62.22 N ATOM 233 CA VAL A 16 16.039 4.445 0.288 1.00 41.23 C ATOM 234 C VAL A 16 17.465 4.435 0.831 1.00 31.05 C ATOM 235 O VAL A 16 17.744 3.858 1.879 1.00 31.21 O ATOM 236 CB VAL A 16 15.105 5.273 1.209 1.00 4.13 C ATOM 237 CG1 VAL A 16 14.908 4.591 2.556 1.00 64.43 C ATOM 238 CG2 VAL A 16 15.632 6.688 1.397 1.00 62.43 C ATOM 0 H VAL A 16 15.518 2.531 0.959 1.00 62.22 H new ATOM 0 HA VAL A 16 16.053 4.923 -0.691 1.00 41.23 H new ATOM 0 HB VAL A 16 14.134 5.334 0.718 1.00 4.13 H new ATOM 0 HG11 VAL A 16 14.249 5.197 3.178 1.00 64.43 H new ATOM 0 HG12 VAL A 16 14.462 3.608 2.404 1.00 64.43 H new ATOM 0 HG13 VAL A 16 15.872 4.479 3.052 1.00 64.43 H new ATOM 0 HG21 VAL A 16 14.957 7.244 2.047 1.00 62.43 H new ATOM 0 HG22 VAL A 16 16.623 6.650 1.850 1.00 62.43 H new ATOM 0 HG23 VAL A 16 15.695 7.185 0.429 1.00 62.43 H new ATOM 248 N ASN A 17 18.373 5.036 0.070 1.00 11.21 N ATOM 249 CA ASN A 17 19.770 5.210 0.481 1.00 41.35 C ATOM 250 C ASN A 17 20.465 3.870 0.724 1.00 25.13 C ATOM 251 O ASN A 17 21.414 3.792 1.505 1.00 4.34 O ATOM 252 CB ASN A 17 19.861 6.064 1.752 1.00 32.33 C ATOM 253 CG ASN A 17 19.281 7.460 1.593 1.00 45.43 C ATOM 254 OD1 ASN A 17 18.717 8.014 2.537 1.00 24.35 O ATOM 255 ND2 ASN A 17 19.413 8.042 0.410 1.00 12.03 N ATOM 0 H ASN A 17 18.165 5.419 -0.852 1.00 11.21 H new ATOM 0 HA ASN A 17 20.278 5.718 -0.339 1.00 41.35 H new ATOM 0 HB2 ASN A 17 19.338 5.553 2.561 1.00 32.33 H new ATOM 0 HB3 ASN A 17 20.906 6.146 2.050 1.00 32.33 H new ATOM 0 HD21 ASN A 17 19.041 8.980 0.259 1.00 12.03 H new ATOM 0 HD22 ASN A 17 19.886 7.552 -0.349 1.00 12.03 H new ATOM 262 N GLY A 18 20.011 2.825 0.045 1.00 31.52 N ATOM 263 CA GLY A 18 20.671 1.535 0.150 1.00 23.44 C ATOM 264 C GLY A 18 19.982 0.582 1.111 1.00 73.43 C ATOM 265 O GLY A 18 20.263 -0.617 1.115 1.00 53.25 O ATOM 0 H GLY A 18 19.201 2.845 -0.575 1.00 31.52 H new ATOM 0 HA2 GLY A 18 20.714 1.076 -0.838 1.00 23.44 H new ATOM 0 HA3 GLY A 18 21.700 1.687 0.476 1.00 23.44 H new ATOM 269 N GLN A 19 19.082 1.102 1.930 1.00 34.11 N ATOM 270 CA GLN A 19 18.343 0.268 2.868 1.00 23.11 C ATOM 271 C GLN A 19 16.907 0.089 2.392 1.00 24.04 C ATOM 272 O GLN A 19 16.216 1.061 2.082 1.00 4.11 O ATOM 273 CB GLN A 19 18.399 0.855 4.288 1.00 73.25 C ATOM 274 CG GLN A 19 18.031 2.329 4.371 1.00 62.34 C ATOM 275 CD GLN A 19 18.286 2.924 5.742 1.00 60.22 C ATOM 276 OE1 GLN A 19 17.413 2.927 6.605 1.00 22.11 O ATOM 277 NE2 GLN A 19 19.485 3.445 5.948 1.00 25.51 N ATOM 0 H GLN A 19 18.845 2.093 1.966 1.00 34.11 H new ATOM 0 HA GLN A 19 18.812 -0.715 2.907 1.00 23.11 H new ATOM 0 HB2 GLN A 19 17.725 0.288 4.930 1.00 73.25 H new ATOM 0 HB3 GLN A 19 19.405 0.721 4.685 1.00 73.25 H new ATOM 0 HG2 GLN A 19 18.603 2.884 3.627 1.00 62.34 H new ATOM 0 HG3 GLN A 19 16.978 2.450 4.118 1.00 62.34 H new ATOM 0 HE21 GLN A 19 20.185 3.424 5.206 1.00 25.51 H new ATOM 0 HE22 GLN A 19 19.709 3.868 6.849 1.00 25.51 H new ATOM 286 N TYR A 20 16.478 -1.160 2.299 1.00 13.32 N ATOM 287 CA TYR A 20 15.154 -1.475 1.785 1.00 21.52 C ATOM 288 C TYR A 20 14.160 -1.712 2.914 1.00 51.03 C ATOM 289 O TYR A 20 14.457 -2.404 3.891 1.00 60.40 O ATOM 290 CB TYR A 20 15.205 -2.711 0.875 1.00 30.24 C ATOM 291 CG TYR A 20 13.845 -3.151 0.361 1.00 30.41 C ATOM 292 CD1 TYR A 20 13.226 -2.489 -0.693 1.00 21.31 C ATOM 293 CD2 TYR A 20 13.180 -4.228 0.939 1.00 0.10 C ATOM 294 CE1 TYR A 20 11.983 -2.887 -1.154 1.00 3.10 C ATOM 295 CE2 TYR A 20 11.940 -4.631 0.482 1.00 31.34 C ATOM 296 CZ TYR A 20 11.345 -3.959 -0.563 1.00 2.52 C ATOM 297 OH TYR A 20 10.110 -4.359 -1.021 1.00 45.43 O ATOM 0 H TYR A 20 17.029 -1.974 2.573 1.00 13.32 H new ATOM 0 HA TYR A 20 14.818 -0.615 1.205 1.00 21.52 H new ATOM 0 HB2 TYR A 20 15.853 -2.498 0.025 1.00 30.24 H new ATOM 0 HB3 TYR A 20 15.660 -3.536 1.423 1.00 30.24 H new ATOM 0 HD1 TYR A 20 13.723 -1.651 -1.159 1.00 21.31 H new ATOM 0 HD2 TYR A 20 13.641 -4.758 1.759 1.00 0.10 H new ATOM 0 HE1 TYR A 20 11.514 -2.361 -1.973 1.00 3.10 H new ATOM 0 HE2 TYR A 20 11.439 -5.470 0.942 1.00 31.34 H new ATOM 0 HH TYR A 20 10.034 -4.157 -1.977 1.00 45.43 H new ATOM 307 N ALA A 21 12.985 -1.125 2.758 1.00 41.42 N ATOM 308 CA ALA A 21 11.876 -1.327 3.668 1.00 4.35 C ATOM 309 C ALA A 21 10.578 -1.150 2.892 1.00 40.03 C ATOM 310 O ALA A 21 10.561 -0.456 1.875 1.00 75.45 O ATOM 311 CB ALA A 21 11.953 -0.341 4.824 1.00 73.50 C ATOM 0 H ALA A 21 12.775 -0.490 1.988 1.00 41.42 H new ATOM 0 HA ALA A 21 11.916 -2.332 4.088 1.00 4.35 H new ATOM 0 HB1 ALA A 21 11.113 -0.505 5.499 1.00 73.50 H new ATOM 0 HB2 ALA A 21 12.888 -0.487 5.365 1.00 73.50 H new ATOM 0 HB3 ALA A 21 11.914 0.677 4.437 1.00 73.50 H new ATOM 317 N TRP A 22 9.504 -1.783 3.337 1.00 34.11 N ATOM 318 CA TRP A 22 8.228 -1.635 2.658 1.00 33.14 C ATOM 319 C TRP A 22 7.405 -0.550 3.340 1.00 21.11 C ATOM 320 O TRP A 22 7.273 -0.527 4.566 1.00 14.55 O ATOM 321 CB TRP A 22 7.466 -2.970 2.575 1.00 25.12 C ATOM 322 CG TRP A 22 7.258 -3.669 3.884 1.00 1.21 C ATOM 323 CD1 TRP A 22 8.127 -4.520 4.504 1.00 34.02 C ATOM 324 CD2 TRP A 22 6.097 -3.602 4.717 1.00 3.35 C ATOM 325 NE1 TRP A 22 7.579 -4.981 5.674 1.00 71.41 N ATOM 326 CE2 TRP A 22 6.335 -4.429 5.829 1.00 25.33 C ATOM 327 CE3 TRP A 22 4.880 -2.917 4.633 1.00 32.02 C ATOM 328 CZ2 TRP A 22 5.401 -4.592 6.848 1.00 45.22 C ATOM 329 CZ3 TRP A 22 3.954 -3.079 5.646 1.00 74.12 C ATOM 330 CH2 TRP A 22 4.219 -3.910 6.742 1.00 54.01 C ATOM 0 H TRP A 22 9.489 -2.395 4.153 1.00 34.11 H new ATOM 0 HA TRP A 22 8.416 -1.328 1.629 1.00 33.14 H new ATOM 0 HB2 TRP A 22 6.492 -2.786 2.121 1.00 25.12 H new ATOM 0 HB3 TRP A 22 8.009 -3.639 1.907 1.00 25.12 H new ATOM 0 HD1 TRP A 22 9.103 -4.791 4.128 1.00 34.02 H new ATOM 0 HE1 TRP A 22 8.025 -5.629 6.323 1.00 71.41 H new ATOM 0 HE3 TRP A 22 4.668 -2.273 3.792 1.00 32.02 H new ATOM 0 HZ2 TRP A 22 5.602 -5.234 7.693 1.00 45.22 H new ATOM 0 HZ3 TRP A 22 3.010 -2.556 5.592 1.00 74.12 H new ATOM 0 HH2 TRP A 22 3.476 -4.015 7.519 1.00 54.01 H new ATOM 341 N ALA A 23 6.884 0.363 2.541 1.00 12.25 N ATOM 342 CA ALA A 23 6.220 1.541 3.064 1.00 50.33 C ATOM 343 C ALA A 23 5.016 1.911 2.211 1.00 63.43 C ATOM 344 O ALA A 23 5.000 1.647 1.007 1.00 24.14 O ATOM 345 CB ALA A 23 7.210 2.690 3.114 1.00 54.45 C ATOM 0 H ALA A 23 6.909 0.310 1.523 1.00 12.25 H new ATOM 0 HA ALA A 23 5.859 1.328 4.070 1.00 50.33 H new ATOM 0 HB1 ALA A 23 6.716 3.579 3.507 1.00 54.45 H new ATOM 0 HB2 ALA A 23 8.045 2.423 3.762 1.00 54.45 H new ATOM 0 HB3 ALA A 23 7.581 2.895 2.110 1.00 54.45 H new ATOM 351 N TYR A 24 4.007 2.507 2.840 1.00 1.41 N ATOM 352 CA TYR A 24 2.793 2.918 2.141 1.00 55.23 C ATOM 353 C TYR A 24 2.241 4.202 2.746 1.00 31.21 C ATOM 354 O TYR A 24 2.304 4.397 3.961 1.00 44.14 O ATOM 355 CB TYR A 24 1.724 1.817 2.210 1.00 22.33 C ATOM 356 CG TYR A 24 2.160 0.497 1.615 1.00 52.31 C ATOM 357 CD1 TYR A 24 2.138 0.293 0.243 1.00 32.35 C ATOM 358 CD2 TYR A 24 2.606 -0.538 2.427 1.00 55.40 C ATOM 359 CE1 TYR A 24 2.552 -0.905 -0.306 1.00 54.21 C ATOM 360 CE2 TYR A 24 3.019 -1.740 1.886 1.00 13.15 C ATOM 361 CZ TYR A 24 2.990 -1.916 0.519 1.00 21.43 C ATOM 362 OH TYR A 24 3.413 -3.108 -0.025 1.00 24.32 O ATOM 0 H TYR A 24 4.007 2.717 3.838 1.00 1.41 H new ATOM 0 HA TYR A 24 3.050 3.094 1.097 1.00 55.23 H new ATOM 0 HB2 TYR A 24 1.446 1.660 3.252 1.00 22.33 H new ATOM 0 HB3 TYR A 24 0.830 2.160 1.690 1.00 22.33 H new ATOM 0 HD1 TYR A 24 1.792 1.084 -0.406 1.00 32.35 H new ATOM 0 HD2 TYR A 24 2.630 -0.401 3.498 1.00 55.40 H new ATOM 0 HE1 TYR A 24 2.532 -1.048 -1.376 1.00 54.21 H new ATOM 0 HE2 TYR A 24 3.362 -2.536 2.530 1.00 13.15 H new ATOM 0 HH TYR A 24 3.691 -3.715 0.693 1.00 24.32 H new ATOM 372 N ALA A 25 1.711 5.074 1.897 1.00 43.35 N ATOM 373 CA ALA A 25 1.082 6.306 2.354 1.00 43.32 C ATOM 374 C ALA A 25 -0.232 6.547 1.620 1.00 71.40 C ATOM 375 O ALA A 25 -0.239 6.968 0.462 1.00 24.22 O ATOM 376 CB ALA A 25 2.012 7.492 2.165 1.00 53.04 C ATOM 0 H ALA A 25 1.705 4.950 0.885 1.00 43.35 H new ATOM 0 HA ALA A 25 0.871 6.198 3.418 1.00 43.32 H new ATOM 0 HB1 ALA A 25 1.519 8.400 2.514 1.00 53.04 H new ATOM 0 HB2 ALA A 25 2.926 7.332 2.737 1.00 53.04 H new ATOM 0 HB3 ALA A 25 2.259 7.596 1.108 1.00 53.04 H new ATOM 382 N PHE A 26 -1.339 6.273 2.292 1.00 71.52 N ATOM 383 CA PHE A 26 -2.651 6.455 1.692 1.00 75.33 C ATOM 384 C PHE A 26 -3.189 7.847 1.988 1.00 24.30 C ATOM 385 O PHE A 26 -3.427 8.219 3.141 1.00 25.44 O ATOM 386 CB PHE A 26 -3.620 5.377 2.176 1.00 41.34 C ATOM 387 CG PHE A 26 -3.305 4.013 1.624 1.00 5.44 C ATOM 388 CD1 PHE A 26 -2.429 3.162 2.285 1.00 22.31 C ATOM 389 CD2 PHE A 26 -3.881 3.584 0.440 1.00 11.41 C ATOM 390 CE1 PHE A 26 -2.136 1.913 1.774 1.00 30.10 C ATOM 391 CE2 PHE A 26 -3.590 2.335 -0.076 1.00 32.21 C ATOM 392 CZ PHE A 26 -2.718 1.498 0.592 1.00 31.44 C ATOM 0 H PHE A 26 -1.355 5.925 3.251 1.00 71.52 H new ATOM 0 HA PHE A 26 -2.551 6.356 0.611 1.00 75.33 H new ATOM 0 HB2 PHE A 26 -3.596 5.337 3.265 1.00 41.34 H new ATOM 0 HB3 PHE A 26 -4.635 5.653 1.890 1.00 41.34 H new ATOM 0 HD1 PHE A 26 -1.971 3.481 3.210 1.00 22.31 H new ATOM 0 HD2 PHE A 26 -4.565 4.233 -0.086 1.00 11.41 H new ATOM 0 HE1 PHE A 26 -1.453 1.261 2.298 1.00 30.10 H new ATOM 0 HE2 PHE A 26 -4.045 2.014 -1.002 1.00 32.21 H new ATOM 0 HZ PHE A 26 -2.492 0.521 0.191 1.00 31.44 H new ATOM 402 N VAL A 27 -3.371 8.609 0.927 1.00 44.41 N ATOM 403 CA VAL A 27 -3.757 10.005 1.025 1.00 45.01 C ATOM 404 C VAL A 27 -5.112 10.248 0.361 1.00 75.43 C ATOM 405 O VAL A 27 -5.434 9.637 -0.661 1.00 41.24 O ATOM 406 CB VAL A 27 -2.666 10.898 0.382 1.00 55.15 C ATOM 407 CG1 VAL A 27 -2.221 10.315 -0.944 1.00 64.02 C ATOM 408 CG2 VAL A 27 -3.151 12.322 0.178 1.00 12.53 C ATOM 0 H VAL A 27 -3.255 8.277 -0.031 1.00 44.41 H new ATOM 0 HA VAL A 27 -3.853 10.265 2.079 1.00 45.01 H new ATOM 0 HB VAL A 27 -1.821 10.925 1.070 1.00 55.15 H new ATOM 0 HG11 VAL A 27 -1.455 10.953 -1.383 1.00 64.02 H new ATOM 0 HG12 VAL A 27 -1.814 9.317 -0.784 1.00 64.02 H new ATOM 0 HG13 VAL A 27 -3.074 10.255 -1.620 1.00 64.02 H new ATOM 0 HG21 VAL A 27 -2.357 12.916 -0.275 1.00 12.53 H new ATOM 0 HG22 VAL A 27 -4.021 12.319 -0.478 1.00 12.53 H new ATOM 0 HG23 VAL A 27 -3.424 12.755 1.140 1.00 12.53 H new ATOM 418 N LYS A 28 -5.904 11.127 0.962 1.00 54.14 N ATOM 419 CA LYS A 28 -7.201 11.500 0.419 1.00 22.02 C ATOM 420 C LYS A 28 -7.404 13.006 0.549 1.00 41.45 C ATOM 421 O LYS A 28 -7.081 13.591 1.584 1.00 3.22 O ATOM 422 CB LYS A 28 -8.326 10.758 1.149 1.00 53.31 C ATOM 423 CG LYS A 28 -8.352 10.996 2.654 1.00 14.33 C ATOM 424 CD LYS A 28 -9.605 10.425 3.310 1.00 13.31 C ATOM 425 CE LYS A 28 -9.581 8.903 3.410 1.00 72.31 C ATOM 426 NZ LYS A 28 -9.724 8.239 2.087 1.00 3.12 N ATOM 0 H LYS A 28 -5.666 11.598 1.835 1.00 54.14 H new ATOM 0 HA LYS A 28 -7.229 11.222 -0.635 1.00 22.02 H new ATOM 0 HB2 LYS A 28 -9.283 11.064 0.727 1.00 53.31 H new ATOM 0 HB3 LYS A 28 -8.223 9.689 0.962 1.00 53.31 H new ATOM 0 HG2 LYS A 28 -7.470 10.543 3.106 1.00 14.33 H new ATOM 0 HG3 LYS A 28 -8.297 12.067 2.851 1.00 14.33 H new ATOM 0 HD2 LYS A 28 -9.711 10.848 4.309 1.00 13.31 H new ATOM 0 HD3 LYS A 28 -10.481 10.733 2.739 1.00 13.31 H new ATOM 0 HE2 LYS A 28 -8.645 8.588 3.871 1.00 72.31 H new ATOM 0 HE3 LYS A 28 -10.386 8.573 4.066 1.00 72.31 H new ATOM 0 HZ1 LYS A 28 -10.327 7.397 2.184 1.00 3.12 H new ATOM 0 HZ2 LYS A 28 -10.159 8.900 1.412 1.00 3.12 H new ATOM 0 HZ3 LYS A 28 -8.786 7.955 1.738 1.00 3.12 H new ATOM 440 N ASP A 29 -7.909 13.630 -0.516 1.00 61.32 N ATOM 441 CA ASP A 29 -8.177 15.077 -0.528 1.00 5.11 C ATOM 442 C ASP A 29 -6.883 15.884 -0.327 1.00 34.22 C ATOM 443 O ASP A 29 -6.905 17.084 -0.050 1.00 24.43 O ATOM 444 CB ASP A 29 -9.225 15.421 0.544 1.00 34.10 C ATOM 445 CG ASP A 29 -9.612 16.889 0.569 1.00 44.43 C ATOM 446 OD1 ASP A 29 -10.117 17.401 -0.451 1.00 44.02 O ATOM 447 OD2 ASP A 29 -9.426 17.535 1.624 1.00 71.14 O ATOM 0 H ASP A 29 -8.143 13.156 -1.389 1.00 61.32 H new ATOM 0 HA ASP A 29 -8.576 15.351 -1.504 1.00 5.11 H new ATOM 0 HB2 ASP A 29 -10.119 14.821 0.371 1.00 34.10 H new ATOM 0 HB3 ASP A 29 -8.837 15.140 1.523 1.00 34.10 H new ATOM 452 N GLY A 30 -5.748 15.221 -0.506 1.00 64.13 N ATOM 453 CA GLY A 30 -4.469 15.886 -0.352 1.00 30.31 C ATOM 454 C GLY A 30 -3.852 15.648 1.012 1.00 44.50 C ATOM 455 O GLY A 30 -2.692 15.981 1.242 1.00 64.11 O ATOM 0 H GLY A 30 -5.690 14.234 -0.755 1.00 64.13 H new ATOM 0 HA2 GLY A 30 -3.784 15.533 -1.123 1.00 30.31 H new ATOM 0 HA3 GLY A 30 -4.599 16.957 -0.507 1.00 30.31 H new ATOM 459 N LYS A 31 -4.621 15.066 1.920 1.00 22.01 N ATOM 460 CA LYS A 31 -4.123 14.775 3.253 1.00 61.02 C ATOM 461 C LYS A 31 -3.953 13.278 3.442 1.00 11.10 C ATOM 462 O LYS A 31 -4.845 12.494 3.120 1.00 61.31 O ATOM 463 CB LYS A 31 -5.074 15.314 4.320 1.00 72.55 C ATOM 464 CG LYS A 31 -5.427 16.781 4.142 1.00 35.22 C ATOM 465 CD LYS A 31 -4.192 17.665 4.194 1.00 51.23 C ATOM 466 CE LYS A 31 -4.556 19.124 3.994 1.00 71.25 C ATOM 467 NZ LYS A 31 -3.365 20.006 4.061 1.00 13.22 N ATOM 0 H LYS A 31 -5.589 14.787 1.758 1.00 22.01 H new ATOM 0 HA LYS A 31 -3.156 15.265 3.360 1.00 61.02 H new ATOM 0 HB2 LYS A 31 -5.991 14.725 4.307 1.00 72.55 H new ATOM 0 HB3 LYS A 31 -4.620 15.176 5.301 1.00 72.55 H new ATOM 0 HG2 LYS A 31 -5.935 16.920 3.188 1.00 35.22 H new ATOM 0 HG3 LYS A 31 -6.125 17.085 4.922 1.00 35.22 H new ATOM 0 HD2 LYS A 31 -3.692 17.540 5.154 1.00 51.23 H new ATOM 0 HD3 LYS A 31 -3.486 17.354 3.424 1.00 51.23 H new ATOM 0 HE2 LYS A 31 -5.045 19.247 3.027 1.00 71.25 H new ATOM 0 HE3 LYS A 31 -5.275 19.426 4.755 1.00 71.25 H new ATOM 0 HZ1 LYS A 31 -3.656 20.994 3.920 1.00 13.22 H new ATOM 0 HZ2 LYS A 31 -2.913 19.908 4.992 1.00 13.22 H new ATOM 0 HZ3 LYS A 31 -2.690 19.735 3.318 1.00 13.22 H new ATOM 481 N VAL A 32 -2.800 12.887 3.947 1.00 4.24 N ATOM 482 CA VAL A 32 -2.534 11.488 4.231 1.00 33.32 C ATOM 483 C VAL A 32 -3.210 11.094 5.544 1.00 23.30 C ATOM 484 O VAL A 32 -3.130 11.825 6.536 1.00 1.41 O ATOM 485 CB VAL A 32 -1.011 11.196 4.287 1.00 11.41 C ATOM 486 CG1 VAL A 32 -0.320 12.050 5.343 1.00 65.43 C ATOM 487 CG2 VAL A 32 -0.747 9.719 4.534 1.00 44.23 C ATOM 0 H VAL A 32 -2.030 13.518 4.170 1.00 4.24 H new ATOM 0 HA VAL A 32 -2.947 10.888 3.420 1.00 33.32 H new ATOM 0 HB VAL A 32 -0.591 11.460 3.316 1.00 11.41 H new ATOM 0 HG11 VAL A 32 0.746 11.821 5.356 1.00 65.43 H new ATOM 0 HG12 VAL A 32 -0.461 13.105 5.107 1.00 65.43 H new ATOM 0 HG13 VAL A 32 -0.749 11.836 6.322 1.00 65.43 H new ATOM 0 HG21 VAL A 32 0.328 9.542 4.569 1.00 44.23 H new ATOM 0 HG22 VAL A 32 -1.194 9.423 5.483 1.00 44.23 H new ATOM 0 HG23 VAL A 32 -1.185 9.131 3.728 1.00 44.23 H new ATOM 497 N HIS A 33 -3.909 9.968 5.537 1.00 11.21 N ATOM 498 CA HIS A 33 -4.616 9.515 6.725 1.00 63.14 C ATOM 499 C HIS A 33 -3.630 8.905 7.711 1.00 3.12 C ATOM 500 O HIS A 33 -3.495 9.377 8.840 1.00 11.34 O ATOM 501 CB HIS A 33 -5.698 8.501 6.348 1.00 21.52 C ATOM 502 CG HIS A 33 -6.582 8.101 7.491 1.00 32.23 C ATOM 503 ND1 HIS A 33 -6.651 6.816 7.979 1.00 14.01 N ATOM 504 CD2 HIS A 33 -7.451 8.828 8.232 1.00 63.32 C ATOM 505 CE1 HIS A 33 -7.524 6.767 8.965 1.00 54.00 C ATOM 506 NE2 HIS A 33 -8.024 7.977 9.140 1.00 44.33 N ATOM 0 H HIS A 33 -4.001 9.355 4.727 1.00 11.21 H new ATOM 0 HA HIS A 33 -5.101 10.370 7.197 1.00 63.14 H new ATOM 0 HB2 HIS A 33 -6.315 8.922 5.554 1.00 21.52 H new ATOM 0 HB3 HIS A 33 -5.221 7.609 5.942 1.00 21.52 H new ATOM 0 HD1 HIS A 33 -6.110 6.024 7.631 1.00 14.01 H new ATOM 0 HD2 HIS A 33 -7.655 9.883 8.127 1.00 63.32 H new ATOM 0 HE1 HIS A 33 -7.786 5.887 9.533 1.00 54.00 H new ATOM 515 N TYR A 34 -2.941 7.866 7.274 1.00 75.34 N ATOM 516 CA TYR A 34 -1.878 7.267 8.061 1.00 35.55 C ATOM 517 C TYR A 34 -0.736 6.827 7.166 1.00 21.34 C ATOM 518 O TYR A 34 -0.952 6.370 6.042 1.00 54.03 O ATOM 519 CB TYR A 34 -2.385 6.085 8.888 1.00 65.04 C ATOM 520 CG TYR A 34 -2.803 6.473 10.286 1.00 1.32 C ATOM 521 CD1 TYR A 34 -1.865 6.540 11.308 1.00 11.23 C ATOM 522 CD2 TYR A 34 -4.124 6.789 10.585 1.00 64.04 C ATOM 523 CE1 TYR A 34 -2.229 6.908 12.586 1.00 72.34 C ATOM 524 CE2 TYR A 34 -4.494 7.162 11.862 1.00 32.14 C ATOM 525 CZ TYR A 34 -3.542 7.219 12.860 1.00 12.32 C ATOM 526 OH TYR A 34 -3.901 7.598 14.133 1.00 40.22 O ATOM 0 H TYR A 34 -3.100 7.417 6.372 1.00 75.34 H new ATOM 0 HA TYR A 34 -1.515 8.028 8.752 1.00 35.55 H new ATOM 0 HB2 TYR A 34 -3.232 5.628 8.376 1.00 65.04 H new ATOM 0 HB3 TYR A 34 -1.602 5.329 8.946 1.00 65.04 H new ATOM 0 HD1 TYR A 34 -0.833 6.300 11.098 1.00 11.23 H new ATOM 0 HD2 TYR A 34 -4.871 6.742 9.807 1.00 64.04 H new ATOM 0 HE1 TYR A 34 -1.487 6.952 13.369 1.00 72.34 H new ATOM 0 HE2 TYR A 34 -5.523 7.408 12.079 1.00 32.14 H new ATOM 0 HH TYR A 34 -4.863 7.784 14.160 1.00 40.22 H new ATOM 536 N GLU A 35 0.474 6.982 7.669 1.00 12.44 N ATOM 537 CA GLU A 35 1.670 6.636 6.925 1.00 50.11 C ATOM 538 C GLU A 35 2.663 5.928 7.844 1.00 22.40 C ATOM 539 O GLU A 35 2.948 6.400 8.947 1.00 70.24 O ATOM 540 CB GLU A 35 2.292 7.897 6.293 1.00 10.04 C ATOM 541 CG GLU A 35 2.876 8.913 7.279 1.00 2.13 C ATOM 542 CD GLU A 35 1.869 9.437 8.288 1.00 63.15 C ATOM 543 OE1 GLU A 35 1.070 10.326 7.943 1.00 21.30 O ATOM 544 OE2 GLU A 35 1.877 8.958 9.441 1.00 15.04 O ATOM 0 H GLU A 35 0.655 7.350 8.603 1.00 12.44 H new ATOM 0 HA GLU A 35 1.407 5.955 6.116 1.00 50.11 H new ATOM 0 HB2 GLU A 35 3.082 7.587 5.609 1.00 10.04 H new ATOM 0 HB3 GLU A 35 1.529 8.395 5.695 1.00 10.04 H new ATOM 0 HG2 GLU A 35 3.705 8.451 7.814 1.00 2.13 H new ATOM 0 HG3 GLU A 35 3.287 9.753 6.720 1.00 2.13 H new ATOM 551 N ASP A 36 3.168 4.787 7.410 1.00 71.54 N ATOM 552 CA ASP A 36 4.083 4.006 8.235 1.00 33.25 C ATOM 553 C ASP A 36 4.921 3.083 7.359 1.00 42.24 C ATOM 554 O ASP A 36 4.656 2.952 6.162 1.00 54.33 O ATOM 555 CB ASP A 36 3.299 3.197 9.275 1.00 60.14 C ATOM 556 CG ASP A 36 4.097 2.953 10.540 1.00 61.22 C ATOM 557 OD1 ASP A 36 4.835 1.954 10.605 1.00 43.31 O ATOM 558 OD2 ASP A 36 3.993 3.776 11.475 1.00 64.31 O ATOM 0 H ASP A 36 2.964 4.379 6.497 1.00 71.54 H new ATOM 0 HA ASP A 36 4.753 4.686 8.761 1.00 33.25 H new ATOM 0 HB2 ASP A 36 2.380 3.727 9.525 1.00 60.14 H new ATOM 0 HB3 ASP A 36 3.008 2.240 8.842 1.00 60.14 H new ATOM 563 N ALA A 37 5.923 2.440 7.951 1.00 1.33 N ATOM 564 CA ALA A 37 6.855 1.614 7.195 1.00 5.44 C ATOM 565 C ALA A 37 7.496 0.561 8.086 1.00 72.42 C ATOM 566 O ALA A 37 7.667 0.774 9.287 1.00 63.51 O ATOM 567 CB ALA A 37 7.930 2.484 6.554 1.00 31.04 C ATOM 0 H ALA A 37 6.109 2.476 8.953 1.00 1.33 H new ATOM 0 HA ALA A 37 6.297 1.103 6.410 1.00 5.44 H new ATOM 0 HB1 ALA A 37 8.620 1.855 5.992 1.00 31.04 H new ATOM 0 HB2 ALA A 37 7.463 3.202 5.880 1.00 31.04 H new ATOM 0 HB3 ALA A 37 8.477 3.018 7.331 1.00 31.04 H new ATOM 573 N ASP A 38 7.853 -0.573 7.496 1.00 65.30 N ATOM 574 CA ASP A 38 8.504 -1.645 8.237 1.00 33.32 C ATOM 575 C ASP A 38 9.458 -2.400 7.320 1.00 42.21 C ATOM 576 O ASP A 38 9.533 -2.113 6.126 1.00 73.04 O ATOM 577 CB ASP A 38 7.471 -2.601 8.841 1.00 62.35 C ATOM 578 CG ASP A 38 7.937 -3.185 10.159 1.00 13.54 C ATOM 579 OD1 ASP A 38 8.926 -3.948 10.171 1.00 63.54 O ATOM 580 OD2 ASP A 38 7.336 -2.854 11.202 1.00 22.22 O ATOM 0 H ASP A 38 7.703 -0.774 6.507 1.00 65.30 H new ATOM 0 HA ASP A 38 9.071 -1.205 9.057 1.00 33.32 H new ATOM 0 HB2 ASP A 38 6.531 -2.070 8.992 1.00 62.35 H new ATOM 0 HB3 ASP A 38 7.271 -3.409 8.138 1.00 62.35 H new ATOM 585 N VAL A 39 10.187 -3.361 7.867 1.00 53.44 N ATOM 586 CA VAL A 39 11.210 -4.062 7.102 1.00 41.23 C ATOM 587 C VAL A 39 10.889 -5.550 6.988 1.00 3.33 C ATOM 588 O VAL A 39 10.327 -6.152 7.903 1.00 10.52 O ATOM 589 CB VAL A 39 12.608 -3.900 7.738 1.00 30.53 C ATOM 590 CG1 VAL A 39 13.705 -4.279 6.755 1.00 4.24 C ATOM 591 CG2 VAL A 39 12.811 -2.483 8.252 1.00 62.31 C ATOM 0 H VAL A 39 10.091 -3.673 8.833 1.00 53.44 H new ATOM 0 HA VAL A 39 11.218 -3.614 6.108 1.00 41.23 H new ATOM 0 HB VAL A 39 12.668 -4.581 8.587 1.00 30.53 H new ATOM 0 HG11 VAL A 39 14.678 -4.155 7.230 1.00 4.24 H new ATOM 0 HG12 VAL A 39 13.579 -5.318 6.452 1.00 4.24 H new ATOM 0 HG13 VAL A 39 13.645 -3.635 5.877 1.00 4.24 H new ATOM 0 HG21 VAL A 39 13.803 -2.395 8.695 1.00 62.31 H new ATOM 0 HG22 VAL A 39 12.720 -1.779 7.425 1.00 62.31 H new ATOM 0 HG23 VAL A 39 12.056 -2.258 9.005 1.00 62.31 H new ATOM 601 N GLY A 40 11.260 -6.132 5.856 1.00 61.35 N ATOM 602 CA GLY A 40 11.041 -7.547 5.624 1.00 43.15 C ATOM 603 C GLY A 40 9.629 -7.868 5.171 1.00 41.42 C ATOM 604 O GLY A 40 8.671 -7.675 5.919 1.00 72.04 O ATOM 0 H GLY A 40 11.714 -5.643 5.085 1.00 61.35 H new ATOM 0 HA2 GLY A 40 11.746 -7.898 4.870 1.00 43.15 H new ATOM 0 HA3 GLY A 40 11.255 -8.096 6.541 1.00 43.15 H new ATOM 608 N LYS A 41 9.498 -8.367 3.949 1.00 53.51 N ATOM 609 CA LYS A 41 8.197 -8.738 3.415 1.00 42.44 C ATOM 610 C LYS A 41 7.851 -10.177 3.792 1.00 61.43 C ATOM 611 O LYS A 41 8.249 -11.123 3.112 1.00 61.34 O ATOM 612 CB LYS A 41 8.166 -8.573 1.893 1.00 5.15 C ATOM 613 CG LYS A 41 8.197 -7.124 1.427 1.00 23.25 C ATOM 614 CD LYS A 41 8.125 -7.028 -0.090 1.00 20.01 C ATOM 615 CE LYS A 41 9.407 -7.517 -0.745 1.00 34.34 C ATOM 616 NZ LYS A 41 9.249 -7.691 -2.211 1.00 4.31 N ATOM 0 H LYS A 41 10.277 -8.524 3.310 1.00 53.51 H new ATOM 0 HA LYS A 41 7.453 -8.072 3.852 1.00 42.44 H new ATOM 0 HB2 LYS A 41 9.017 -9.101 1.463 1.00 5.15 H new ATOM 0 HB3 LYS A 41 7.266 -9.050 1.504 1.00 5.15 H new ATOM 0 HG2 LYS A 41 7.361 -6.580 1.868 1.00 23.25 H new ATOM 0 HG3 LYS A 41 9.110 -6.646 1.781 1.00 23.25 H new ATOM 0 HD2 LYS A 41 7.283 -7.618 -0.453 1.00 20.01 H new ATOM 0 HD3 LYS A 41 7.939 -5.994 -0.381 1.00 20.01 H new ATOM 0 HE2 LYS A 41 10.209 -6.806 -0.548 1.00 34.34 H new ATOM 0 HE3 LYS A 41 9.705 -8.465 -0.297 1.00 34.34 H new ATOM 0 HZ1 LYS A 41 10.145 -8.025 -2.619 1.00 4.31 H new ATOM 0 HZ2 LYS A 41 8.501 -8.389 -2.399 1.00 4.31 H new ATOM 0 HZ3 LYS A 41 8.990 -6.781 -2.643 1.00 4.31 H new ATOM 630 N ASN A 42 7.127 -10.331 4.891 1.00 42.22 N ATOM 631 CA ASN A 42 6.699 -11.645 5.355 1.00 62.34 C ATOM 632 C ASN A 42 5.189 -11.663 5.540 1.00 73.41 C ATOM 633 O ASN A 42 4.586 -10.627 5.815 1.00 32.35 O ATOM 634 CB ASN A 42 7.381 -12.012 6.682 1.00 41.01 C ATOM 635 CG ASN A 42 8.853 -12.353 6.530 1.00 41.42 C ATOM 636 OD1 ASN A 42 9.211 -13.499 6.259 1.00 23.53 O ATOM 637 ND2 ASN A 42 9.716 -11.372 6.733 1.00 42.50 N ATOM 0 H ASN A 42 6.822 -9.558 5.482 1.00 42.22 H new ATOM 0 HA ASN A 42 6.987 -12.379 4.602 1.00 62.34 H new ATOM 0 HB2 ASN A 42 7.279 -11.179 7.377 1.00 41.01 H new ATOM 0 HB3 ASN A 42 6.863 -12.862 7.125 1.00 41.01 H new ATOM 0 HD21 ASN A 42 10.718 -11.552 6.667 1.00 42.50 H new ATOM 0 HD22 ASN A 42 9.380 -10.435 6.956 1.00 42.50 H new ATOM 644 N PRO A 43 4.551 -12.831 5.383 1.00 33.13 N ATOM 645 CA PRO A 43 3.105 -12.976 5.595 1.00 64.40 C ATOM 646 C PRO A 43 2.697 -12.597 7.018 1.00 50.12 C ATOM 647 O PRO A 43 1.629 -12.026 7.245 1.00 61.54 O ATOM 648 CB PRO A 43 2.844 -14.464 5.337 1.00 52.14 C ATOM 649 CG PRO A 43 4.000 -14.921 4.518 1.00 21.51 C ATOM 650 CD PRO A 43 5.175 -14.097 4.966 1.00 35.32 C ATOM 0 HA PRO A 43 2.529 -12.319 4.944 1.00 64.40 H new ATOM 0 HB2 PRO A 43 2.778 -15.021 6.272 1.00 52.14 H new ATOM 0 HB3 PRO A 43 1.902 -14.614 4.809 1.00 52.14 H new ATOM 0 HG2 PRO A 43 4.189 -15.984 4.668 1.00 21.51 H new ATOM 0 HG3 PRO A 43 3.806 -14.779 3.455 1.00 21.51 H new ATOM 0 HD2 PRO A 43 5.712 -14.572 5.787 1.00 35.32 H new ATOM 0 HD3 PRO A 43 5.893 -13.947 4.160 1.00 35.32 H new ATOM 658 N ALA A 44 3.571 -12.899 7.973 1.00 14.31 N ATOM 659 CA ALA A 44 3.340 -12.550 9.371 1.00 35.42 C ATOM 660 C ALA A 44 3.600 -11.067 9.613 1.00 30.12 C ATOM 661 O ALA A 44 3.288 -10.532 10.677 1.00 21.13 O ATOM 662 CB ALA A 44 4.229 -13.392 10.270 1.00 31.13 C ATOM 0 H ALA A 44 4.450 -13.387 7.803 1.00 14.31 H new ATOM 0 HA ALA A 44 2.296 -12.755 9.608 1.00 35.42 H new ATOM 0 HB1 ALA A 44 4.050 -13.125 11.312 1.00 31.13 H new ATOM 0 HB2 ALA A 44 4.001 -14.448 10.122 1.00 31.13 H new ATOM 0 HB3 ALA A 44 5.275 -13.208 10.023 1.00 31.13 H new ATOM 668 N ALA A 45 4.163 -10.409 8.611 1.00 63.14 N ATOM 669 CA ALA A 45 4.503 -8.998 8.708 1.00 34.12 C ATOM 670 C ALA A 45 3.440 -8.132 8.038 1.00 44.34 C ATOM 671 O ALA A 45 3.615 -6.924 7.909 1.00 32.33 O ATOM 672 CB ALA A 45 5.870 -8.739 8.090 1.00 41.22 C ATOM 0 H ALA A 45 4.396 -10.835 7.714 1.00 63.14 H new ATOM 0 HA ALA A 45 4.540 -8.729 9.764 1.00 34.12 H new ATOM 0 HB1 ALA A 45 6.111 -7.679 8.170 1.00 41.22 H new ATOM 0 HB2 ALA A 45 6.624 -9.323 8.617 1.00 41.22 H new ATOM 0 HB3 ALA A 45 5.855 -9.029 7.039 1.00 41.22 H new ATOM 678 N ALA A 46 2.341 -8.761 7.609 1.00 73.31 N ATOM 679 CA ALA A 46 1.249 -8.053 6.935 1.00 73.32 C ATOM 680 C ALA A 46 0.827 -6.812 7.713 1.00 10.41 C ATOM 681 O ALA A 46 0.629 -5.740 7.141 1.00 53.24 O ATOM 682 CB ALA A 46 0.058 -8.979 6.733 1.00 43.03 C ATOM 0 H ALA A 46 2.184 -9.763 7.717 1.00 73.31 H new ATOM 0 HA ALA A 46 1.615 -7.730 5.960 1.00 73.32 H new ATOM 0 HB1 ALA A 46 -0.743 -8.437 6.231 1.00 43.03 H new ATOM 0 HB2 ALA A 46 0.358 -9.830 6.122 1.00 43.03 H new ATOM 0 HB3 ALA A 46 -0.295 -9.334 7.701 1.00 43.03 H new ATOM 688 N THR A 47 0.675 -6.961 9.021 1.00 71.32 N ATOM 689 CA THR A 47 0.444 -5.815 9.878 1.00 4.43 C ATOM 690 C THR A 47 1.770 -5.346 10.468 1.00 63.44 C ATOM 691 O THR A 47 2.197 -4.215 10.223 1.00 51.01 O ATOM 692 CB THR A 47 -0.540 -6.161 11.010 1.00 62.24 C ATOM 693 OG1 THR A 47 -1.727 -6.734 10.449 1.00 52.21 O ATOM 694 CG2 THR A 47 -0.900 -4.927 11.826 1.00 53.25 C ATOM 0 H THR A 47 0.708 -7.858 9.506 1.00 71.32 H new ATOM 0 HA THR A 47 0.005 -5.017 9.279 1.00 4.43 H new ATOM 0 HB THR A 47 -0.060 -6.877 11.677 1.00 62.24 H new ATOM 0 HG1 THR A 47 -2.354 -6.957 11.168 1.00 52.21 H new ATOM 0 HG21 THR A 47 -1.596 -5.205 12.617 1.00 53.25 H new ATOM 0 HG22 THR A 47 0.003 -4.507 12.268 1.00 53.25 H new ATOM 0 HG23 THR A 47 -1.365 -4.185 11.177 1.00 53.25 H new ATOM 702 N MET A 48 2.405 -6.246 11.227 1.00 62.32 N ATOM 703 CA MET A 48 3.749 -6.059 11.786 1.00 53.33 C ATOM 704 C MET A 48 3.786 -4.948 12.836 1.00 72.55 C ATOM 705 O MET A 48 4.149 -5.185 13.988 1.00 42.24 O ATOM 706 CB MET A 48 4.772 -5.785 10.680 1.00 43.22 C ATOM 707 CG MET A 48 6.227 -5.899 11.124 1.00 65.24 C ATOM 708 SD MET A 48 6.780 -7.605 11.382 1.00 61.13 S ATOM 709 CE MET A 48 5.984 -8.030 12.930 1.00 64.51 C ATOM 0 H MET A 48 1.990 -7.144 11.475 1.00 62.32 H new ATOM 0 HA MET A 48 4.017 -6.991 12.285 1.00 53.33 H new ATOM 0 HB2 MET A 48 4.599 -6.483 9.861 1.00 43.22 H new ATOM 0 HB3 MET A 48 4.603 -4.783 10.286 1.00 43.22 H new ATOM 0 HG2 MET A 48 6.864 -5.430 10.374 1.00 65.24 H new ATOM 0 HG3 MET A 48 6.360 -5.340 12.050 1.00 65.24 H new ATOM 0 HE1 MET A 48 6.676 -8.598 13.551 1.00 64.51 H new ATOM 0 HE2 MET A 48 5.693 -7.118 13.452 1.00 64.51 H new ATOM 0 HE3 MET A 48 5.098 -8.633 12.730 1.00 64.51 H new ATOM 719 N ARG A 49 3.408 -3.745 12.437 1.00 23.02 N ATOM 720 CA ARG A 49 3.422 -2.597 13.331 1.00 50.30 C ATOM 721 C ARG A 49 2.053 -1.917 13.346 1.00 22.12 C ATOM 722 O ARG A 49 1.322 -2.026 14.327 1.00 50.25 O ATOM 723 CB ARG A 49 4.524 -1.613 12.920 1.00 60.03 C ATOM 724 CG ARG A 49 4.711 -0.455 13.891 1.00 54.43 C ATOM 725 CD ARG A 49 5.985 0.320 13.591 1.00 63.41 C ATOM 726 NE ARG A 49 6.166 1.463 14.488 1.00 73.25 N ATOM 727 CZ ARG A 49 7.223 1.632 15.287 1.00 43.31 C ATOM 728 NH1 ARG A 49 8.165 0.697 15.370 1.00 60.12 N ATOM 729 NH2 ARG A 49 7.336 2.732 16.017 1.00 73.55 N ATOM 0 H ARG A 49 3.085 -3.536 11.492 1.00 23.02 H new ATOM 0 HA ARG A 49 3.638 -2.942 14.342 1.00 50.30 H new ATOM 0 HB2 ARG A 49 5.466 -2.154 12.830 1.00 60.03 H new ATOM 0 HB3 ARG A 49 4.291 -1.213 11.933 1.00 60.03 H new ATOM 0 HG2 ARG A 49 3.853 0.215 13.831 1.00 54.43 H new ATOM 0 HG3 ARG A 49 4.747 -0.836 14.912 1.00 54.43 H new ATOM 0 HD2 ARG A 49 6.842 -0.347 13.679 1.00 63.41 H new ATOM 0 HD3 ARG A 49 5.959 0.671 12.559 1.00 63.41 H new ATOM 0 HE ARG A 49 5.437 2.177 14.504 1.00 73.25 H new ATOM 0 HH11 ARG A 49 8.084 -0.159 14.821 1.00 60.12 H new ATOM 0 HH12 ARG A 49 8.968 0.835 15.983 1.00 60.12 H new ATOM 0 HH21 ARG A 49 6.615 3.452 15.970 1.00 73.55 H new ATOM 0 HH22 ARG A 49 8.144 2.859 16.626 1.00 73.55 H new ATOM 743 N ASN A 50 1.697 -1.242 12.253 1.00 74.42 N ATOM 744 CA ASN A 50 0.410 -0.540 12.183 1.00 42.01 C ATOM 745 C ASN A 50 -0.032 -0.304 10.734 1.00 72.10 C ATOM 746 O ASN A 50 -1.174 0.071 10.478 1.00 64.23 O ATOM 747 CB ASN A 50 0.505 0.796 12.941 1.00 32.34 C ATOM 748 CG ASN A 50 -0.791 1.591 12.930 1.00 44.22 C ATOM 749 OD1 ASN A 50 -0.992 2.469 12.086 1.00 21.10 O ATOM 750 ND2 ASN A 50 -1.682 1.287 13.862 1.00 34.33 N ATOM 0 H ASN A 50 2.271 -1.165 11.413 1.00 74.42 H new ATOM 0 HA ASN A 50 -0.345 -1.171 12.653 1.00 42.01 H new ATOM 0 HB2 ASN A 50 0.793 0.599 13.974 1.00 32.34 H new ATOM 0 HB3 ASN A 50 1.297 1.400 12.499 1.00 32.34 H new ATOM 0 HD21 ASN A 50 -2.571 1.785 13.899 1.00 34.33 H new ATOM 0 HD22 ASN A 50 -1.479 0.555 14.542 1.00 34.33 H new ATOM 757 N VAL A 51 0.862 -0.580 9.790 1.00 44.35 N ATOM 758 CA VAL A 51 0.649 -0.248 8.374 1.00 0.44 C ATOM 759 C VAL A 51 -0.631 -0.876 7.801 1.00 4.41 C ATOM 760 O VAL A 51 -1.254 -0.321 6.895 1.00 62.53 O ATOM 761 CB VAL A 51 1.856 -0.697 7.517 1.00 63.53 C ATOM 762 CG1 VAL A 51 1.759 -0.142 6.104 1.00 1.10 C ATOM 763 CG2 VAL A 51 3.167 -0.284 8.172 1.00 41.32 C ATOM 0 H VAL A 51 1.754 -1.038 9.978 1.00 44.35 H new ATOM 0 HA VAL A 51 0.541 0.836 8.331 1.00 0.44 H new ATOM 0 HB VAL A 51 1.836 -1.785 7.452 1.00 63.53 H new ATOM 0 HG11 VAL A 51 2.620 -0.473 5.523 1.00 1.10 H new ATOM 0 HG12 VAL A 51 0.844 -0.502 5.634 1.00 1.10 H new ATOM 0 HG13 VAL A 51 1.743 0.947 6.141 1.00 1.10 H new ATOM 0 HG21 VAL A 51 4.002 -0.610 7.552 1.00 41.32 H new ATOM 0 HG22 VAL A 51 3.195 0.801 8.278 1.00 41.32 H new ATOM 0 HG23 VAL A 51 3.244 -0.746 9.156 1.00 41.32 H new ATOM 773 N ALA A 52 -1.024 -2.025 8.338 1.00 44.34 N ATOM 774 CA ALA A 52 -2.157 -2.785 7.803 1.00 52.22 C ATOM 775 C ALA A 52 -3.493 -2.048 7.938 1.00 0.13 C ATOM 776 O ALA A 52 -4.469 -2.416 7.281 1.00 13.24 O ATOM 777 CB ALA A 52 -2.247 -4.141 8.483 1.00 44.42 C ATOM 0 H ALA A 52 -0.575 -2.456 9.147 1.00 44.34 H new ATOM 0 HA ALA A 52 -1.970 -2.912 6.737 1.00 52.22 H new ATOM 0 HB1 ALA A 52 -3.093 -4.696 8.077 1.00 44.42 H new ATOM 0 HB2 ALA A 52 -1.328 -4.699 8.305 1.00 44.42 H new ATOM 0 HB3 ALA A 52 -2.385 -4.002 9.555 1.00 44.42 H new ATOM 783 N GLY A 53 -3.539 -1.022 8.781 1.00 61.12 N ATOM 784 CA GLY A 53 -4.776 -0.286 8.990 1.00 51.53 C ATOM 785 C GLY A 53 -5.296 0.348 7.712 1.00 2.22 C ATOM 786 O GLY A 53 -6.447 0.128 7.320 1.00 0.14 O ATOM 0 H GLY A 53 -2.743 -0.686 9.324 1.00 61.12 H new ATOM 0 HA2 GLY A 53 -5.533 -0.960 9.392 1.00 51.53 H new ATOM 0 HA3 GLY A 53 -4.612 0.491 9.737 1.00 51.53 H new ATOM 790 N GLU A 54 -4.437 1.114 7.053 1.00 23.23 N ATOM 791 CA GLU A 54 -4.790 1.755 5.790 1.00 41.10 C ATOM 792 C GLU A 54 -5.043 0.712 4.706 1.00 62.41 C ATOM 793 O GLU A 54 -5.866 0.917 3.815 1.00 2.14 O ATOM 794 CB GLU A 54 -3.681 2.704 5.338 1.00 42.41 C ATOM 795 CG GLU A 54 -3.434 3.859 6.290 1.00 43.05 C ATOM 796 CD GLU A 54 -4.657 4.735 6.476 1.00 52.44 C ATOM 797 OE1 GLU A 54 -4.951 5.558 5.585 1.00 12.00 O ATOM 798 OE2 GLU A 54 -5.319 4.618 7.528 1.00 54.44 O ATOM 0 H GLU A 54 -3.488 1.308 7.372 1.00 23.23 H new ATOM 0 HA GLU A 54 -5.704 2.327 5.951 1.00 41.10 H new ATOM 0 HB2 GLU A 54 -2.757 2.138 5.222 1.00 42.41 H new ATOM 0 HB3 GLU A 54 -3.936 3.103 4.356 1.00 42.41 H new ATOM 0 HG2 GLU A 54 -3.123 3.466 7.258 1.00 43.05 H new ATOM 0 HG3 GLU A 54 -2.611 4.466 5.913 1.00 43.05 H new ATOM 805 N ILE A 55 -4.334 -0.409 4.796 1.00 61.05 N ATOM 806 CA ILE A 55 -4.500 -1.507 3.851 1.00 31.42 C ATOM 807 C ILE A 55 -5.946 -2.001 3.860 1.00 21.45 C ATOM 808 O ILE A 55 -6.558 -2.191 2.808 1.00 15.45 O ATOM 809 CB ILE A 55 -3.552 -2.682 4.185 1.00 13.40 C ATOM 810 CG1 ILE A 55 -2.088 -2.223 4.149 1.00 42.44 C ATOM 811 CG2 ILE A 55 -3.772 -3.849 3.229 1.00 61.12 C ATOM 812 CD1 ILE A 55 -1.645 -1.680 2.805 1.00 20.34 C ATOM 0 H ILE A 55 -3.635 -0.581 5.519 1.00 61.05 H new ATOM 0 HA ILE A 55 -4.250 -1.131 2.859 1.00 31.42 H new ATOM 0 HB ILE A 55 -3.781 -3.024 5.194 1.00 13.40 H new ATOM 0 HG12 ILE A 55 -1.941 -1.453 4.907 1.00 42.44 H new ATOM 0 HG13 ILE A 55 -1.448 -3.063 4.419 1.00 42.44 H new ATOM 0 HG21 ILE A 55 -3.093 -4.662 3.485 1.00 61.12 H new ATOM 0 HG22 ILE A 55 -4.802 -4.197 3.310 1.00 61.12 H new ATOM 0 HG23 ILE A 55 -3.579 -3.523 2.207 1.00 61.12 H new ATOM 0 HD11 ILE A 55 -0.599 -1.377 2.862 1.00 20.34 H new ATOM 0 HD12 ILE A 55 -1.758 -2.453 2.045 1.00 20.34 H new ATOM 0 HD13 ILE A 55 -2.258 -0.819 2.540 1.00 20.34 H new ATOM 824 N ALA A 56 -6.493 -2.178 5.057 1.00 25.52 N ATOM 825 CA ALA A 56 -7.868 -2.632 5.210 1.00 50.32 C ATOM 826 C ALA A 56 -8.847 -1.582 4.697 1.00 43.34 C ATOM 827 O ALA A 56 -9.866 -1.910 4.092 1.00 21.34 O ATOM 828 CB ALA A 56 -8.161 -2.963 6.664 1.00 42.34 C ATOM 0 H ALA A 56 -6.003 -2.013 5.937 1.00 25.52 H new ATOM 0 HA ALA A 56 -7.994 -3.536 4.615 1.00 50.32 H new ATOM 0 HB1 ALA A 56 -9.193 -3.301 6.759 1.00 42.34 H new ATOM 0 HB2 ALA A 56 -7.489 -3.752 7.000 1.00 42.34 H new ATOM 0 HB3 ALA A 56 -8.012 -2.074 7.277 1.00 42.34 H new ATOM 834 N ALA A 57 -8.526 -0.315 4.933 1.00 73.35 N ATOM 835 CA ALA A 57 -9.372 0.783 4.485 1.00 62.40 C ATOM 836 C ALA A 57 -9.403 0.860 2.961 1.00 63.31 C ATOM 837 O ALA A 57 -10.448 1.122 2.362 1.00 3.55 O ATOM 838 CB ALA A 57 -8.889 2.100 5.071 1.00 44.52 C ATOM 0 H ALA A 57 -7.686 -0.023 5.432 1.00 73.35 H new ATOM 0 HA ALA A 57 -10.386 0.595 4.838 1.00 62.40 H new ATOM 0 HB1 ALA A 57 -9.532 2.909 4.726 1.00 44.52 H new ATOM 0 HB2 ALA A 57 -8.923 2.048 6.159 1.00 44.52 H new ATOM 0 HB3 ALA A 57 -7.865 2.288 4.749 1.00 44.52 H new ATOM 844 N ALA A 58 -8.254 0.616 2.343 1.00 1.24 N ATOM 845 CA ALA A 58 -8.140 0.662 0.892 1.00 43.14 C ATOM 846 C ALA A 58 -8.868 -0.508 0.242 1.00 51.44 C ATOM 847 O ALA A 58 -9.518 -0.343 -0.788 1.00 30.10 O ATOM 848 CB ALA A 58 -6.676 0.666 0.479 1.00 1.50 C ATOM 0 H ALA A 58 -7.386 0.384 2.826 1.00 1.24 H new ATOM 0 HA ALA A 58 -8.610 1.583 0.547 1.00 43.14 H new ATOM 0 HB1 ALA A 58 -6.605 0.701 -0.608 1.00 1.50 H new ATOM 0 HB2 ALA A 58 -6.181 1.539 0.903 1.00 1.50 H new ATOM 0 HB3 ALA A 58 -6.192 -0.239 0.846 1.00 1.50 H new ATOM 854 N LEU A 59 -8.765 -1.680 0.858 1.00 10.31 N ATOM 855 CA LEU A 59 -9.370 -2.899 0.320 1.00 50.34 C ATOM 856 C LEU A 59 -10.866 -2.721 0.054 1.00 35.31 C ATOM 857 O LEU A 59 -11.334 -2.921 -1.069 1.00 13.55 O ATOM 858 CB LEU A 59 -9.149 -4.072 1.280 1.00 13.31 C ATOM 859 CG LEU A 59 -9.828 -5.384 0.874 1.00 1.31 C ATOM 860 CD1 LEU A 59 -9.340 -5.849 -0.491 1.00 12.41 C ATOM 861 CD2 LEU A 59 -9.582 -6.454 1.926 1.00 44.33 C ATOM 0 H LEU A 59 -8.265 -1.815 1.737 1.00 10.31 H new ATOM 0 HA LEU A 59 -8.883 -3.112 -0.632 1.00 50.34 H new ATOM 0 HB2 LEU A 59 -8.077 -4.249 1.371 1.00 13.31 H new ATOM 0 HB3 LEU A 59 -9.510 -3.785 2.268 1.00 13.31 H new ATOM 0 HG LEU A 59 -10.901 -5.207 0.804 1.00 1.31 H new ATOM 0 HD11 LEU A 59 -9.837 -6.782 -0.757 1.00 12.41 H new ATOM 0 HD12 LEU A 59 -9.571 -5.090 -1.238 1.00 12.41 H new ATOM 0 HD13 LEU A 59 -8.262 -6.009 -0.457 1.00 12.41 H new ATOM 0 HD21 LEU A 59 -10.070 -7.380 1.624 1.00 44.33 H new ATOM 0 HD22 LEU A 59 -8.510 -6.625 2.027 1.00 44.33 H new ATOM 0 HD23 LEU A 59 -9.989 -6.125 2.882 1.00 44.33 H new ATOM 873 N TYR A 60 -11.612 -2.343 1.084 1.00 11.30 N ATOM 874 CA TYR A 60 -13.056 -2.187 0.955 1.00 72.32 C ATOM 875 C TYR A 60 -13.401 -1.021 0.034 1.00 32.31 C ATOM 876 O TYR A 60 -14.429 -1.043 -0.646 1.00 73.10 O ATOM 877 CB TYR A 60 -13.700 -2.001 2.333 1.00 25.22 C ATOM 878 CG TYR A 60 -13.577 -3.224 3.221 1.00 24.11 C ATOM 879 CD1 TYR A 60 -12.444 -3.438 3.994 1.00 71.23 C ATOM 880 CD2 TYR A 60 -14.594 -4.172 3.275 1.00 31.11 C ATOM 881 CE1 TYR A 60 -12.325 -4.555 4.797 1.00 43.42 C ATOM 882 CE2 TYR A 60 -14.480 -5.294 4.077 1.00 64.52 C ATOM 883 CZ TYR A 60 -13.341 -5.479 4.834 1.00 71.30 C ATOM 884 OH TYR A 60 -13.217 -6.596 5.630 1.00 71.22 O ATOM 0 H TYR A 60 -11.244 -2.140 2.013 1.00 11.30 H new ATOM 0 HA TYR A 60 -13.457 -3.096 0.507 1.00 72.32 H new ATOM 0 HB2 TYR A 60 -13.236 -1.150 2.832 1.00 25.22 H new ATOM 0 HB3 TYR A 60 -14.755 -1.759 2.204 1.00 25.22 H new ATOM 0 HD1 TYR A 60 -11.640 -2.717 3.967 1.00 71.23 H new ATOM 0 HD2 TYR A 60 -15.486 -4.030 2.682 1.00 31.11 H new ATOM 0 HE1 TYR A 60 -11.437 -4.702 5.394 1.00 43.42 H new ATOM 0 HE2 TYR A 60 -15.278 -6.021 4.110 1.00 64.52 H new ATOM 0 HH TYR A 60 -14.021 -7.149 5.545 1.00 71.22 H new ATOM 894 N ALA A 61 -12.526 -0.024 -0.008 1.00 72.43 N ATOM 895 CA ALA A 61 -12.708 1.114 -0.896 1.00 42.34 C ATOM 896 C ALA A 61 -12.612 0.673 -2.351 1.00 32.54 C ATOM 897 O ALA A 61 -13.465 1.018 -3.165 1.00 30.01 O ATOM 898 CB ALA A 61 -11.685 2.197 -0.592 1.00 62.10 C ATOM 0 H ALA A 61 -11.683 0.018 0.564 1.00 72.43 H new ATOM 0 HA ALA A 61 -13.702 1.529 -0.729 1.00 42.34 H new ATOM 0 HB1 ALA A 61 -11.837 3.040 -1.266 1.00 62.10 H new ATOM 0 HB2 ALA A 61 -11.804 2.531 0.439 1.00 62.10 H new ATOM 0 HB3 ALA A 61 -10.680 1.798 -0.731 1.00 62.10 H new ATOM 904 N VAL A 62 -11.583 -0.115 -2.665 1.00 1.23 N ATOM 905 CA VAL A 62 -11.391 -0.633 -4.019 1.00 23.04 C ATOM 906 C VAL A 62 -12.571 -1.514 -4.434 1.00 73.52 C ATOM 907 O VAL A 62 -13.014 -1.477 -5.585 1.00 64.25 O ATOM 908 CB VAL A 62 -10.074 -1.440 -4.138 1.00 20.44 C ATOM 909 CG1 VAL A 62 -9.934 -2.066 -5.519 1.00 0.05 C ATOM 910 CG2 VAL A 62 -8.876 -0.551 -3.841 1.00 33.32 C ATOM 0 H VAL A 62 -10.869 -0.409 -1.998 1.00 1.23 H new ATOM 0 HA VAL A 62 -11.330 0.226 -4.687 1.00 23.04 H new ATOM 0 HB VAL A 62 -10.108 -2.244 -3.403 1.00 20.44 H new ATOM 0 HG11 VAL A 62 -9.000 -2.626 -5.572 1.00 0.05 H new ATOM 0 HG12 VAL A 62 -10.772 -2.740 -5.700 1.00 0.05 H new ATOM 0 HG13 VAL A 62 -9.930 -1.281 -6.275 1.00 0.05 H new ATOM 0 HG21 VAL A 62 -7.959 -1.134 -3.929 1.00 33.32 H new ATOM 0 HG22 VAL A 62 -8.851 0.275 -4.552 1.00 33.32 H new ATOM 0 HG23 VAL A 62 -8.958 -0.156 -2.829 1.00 33.32 H new ATOM 920 N LYS A 63 -13.083 -2.292 -3.485 1.00 20.03 N ATOM 921 CA LYS A 63 -14.237 -3.153 -3.735 1.00 42.51 C ATOM 922 C LYS A 63 -15.439 -2.344 -4.225 1.00 41.33 C ATOM 923 O LYS A 63 -16.141 -2.758 -5.148 1.00 50.32 O ATOM 924 CB LYS A 63 -14.607 -3.938 -2.473 1.00 21.35 C ATOM 925 CG LYS A 63 -13.664 -5.093 -2.174 1.00 14.21 C ATOM 926 CD LYS A 63 -14.103 -5.860 -0.936 1.00 1.42 C ATOM 927 CE LYS A 63 -13.241 -7.092 -0.695 1.00 61.15 C ATOM 928 NZ LYS A 63 -13.362 -8.088 -1.794 1.00 22.30 N ATOM 0 H LYS A 63 -12.717 -2.345 -2.534 1.00 20.03 H new ATOM 0 HA LYS A 63 -13.960 -3.857 -4.520 1.00 42.51 H new ATOM 0 HB2 LYS A 63 -14.615 -3.257 -1.622 1.00 21.35 H new ATOM 0 HB3 LYS A 63 -15.620 -4.326 -2.581 1.00 21.35 H new ATOM 0 HG2 LYS A 63 -13.630 -5.768 -3.029 1.00 14.21 H new ATOM 0 HG3 LYS A 63 -12.653 -4.712 -2.028 1.00 14.21 H new ATOM 0 HD2 LYS A 63 -14.051 -5.205 -0.066 1.00 1.42 H new ATOM 0 HD3 LYS A 63 -15.145 -6.162 -1.046 1.00 1.42 H new ATOM 0 HE2 LYS A 63 -12.199 -6.790 -0.594 1.00 61.15 H new ATOM 0 HE3 LYS A 63 -13.530 -7.557 0.247 1.00 61.15 H new ATOM 0 HZ1 LYS A 63 -12.957 -8.995 -1.486 1.00 22.30 H new ATOM 0 HZ2 LYS A 63 -14.365 -8.220 -2.034 1.00 22.30 H new ATOM 0 HZ3 LYS A 63 -12.848 -7.746 -2.631 1.00 22.30 H new ATOM 942 N LYS A 64 -15.682 -1.201 -3.596 1.00 30.22 N ATOM 943 CA LYS A 64 -16.761 -0.310 -4.017 1.00 22.14 C ATOM 944 C LYS A 64 -16.377 0.481 -5.263 1.00 32.21 C ATOM 945 O LYS A 64 -17.222 0.764 -6.115 1.00 61.54 O ATOM 946 CB LYS A 64 -17.145 0.641 -2.883 1.00 33.32 C ATOM 947 CG LYS A 64 -17.883 -0.054 -1.754 1.00 70.41 C ATOM 948 CD LYS A 64 -19.243 -0.559 -2.213 1.00 65.45 C ATOM 949 CE LYS A 64 -19.839 -1.560 -1.235 1.00 2.44 C ATOM 950 NZ LYS A 64 -19.057 -2.826 -1.195 1.00 1.12 N ATOM 0 H LYS A 64 -15.148 -0.868 -2.793 1.00 30.22 H new ATOM 0 HA LYS A 64 -17.623 -0.929 -4.265 1.00 22.14 H new ATOM 0 HB2 LYS A 64 -16.244 1.109 -2.487 1.00 33.32 H new ATOM 0 HB3 LYS A 64 -17.770 1.440 -3.282 1.00 33.32 H new ATOM 0 HG2 LYS A 64 -17.287 -0.890 -1.387 1.00 70.41 H new ATOM 0 HG3 LYS A 64 -18.011 0.637 -0.921 1.00 70.41 H new ATOM 0 HD2 LYS A 64 -19.923 0.285 -2.328 1.00 65.45 H new ATOM 0 HD3 LYS A 64 -19.145 -1.025 -3.194 1.00 65.45 H new ATOM 0 HE2 LYS A 64 -19.870 -1.120 -0.238 1.00 2.44 H new ATOM 0 HE3 LYS A 64 -20.869 -1.777 -1.519 1.00 2.44 H new ATOM 0 HZ1 LYS A 64 -19.636 -3.579 -0.772 1.00 1.12 H new ATOM 0 HZ2 LYS A 64 -18.788 -3.099 -2.162 1.00 1.12 H new ATOM 0 HZ3 LYS A 64 -18.199 -2.686 -0.623 1.00 1.12 H new ATOM 964 N ALA A 65 -15.096 0.823 -5.359 1.00 5.33 N ATOM 965 CA ALA A 65 -14.565 1.608 -6.472 1.00 32.22 C ATOM 966 C ALA A 65 -14.851 0.960 -7.823 1.00 4.34 C ATOM 967 O ALA A 65 -14.930 1.651 -8.840 1.00 13.12 O ATOM 968 CB ALA A 65 -13.069 1.815 -6.298 1.00 10.22 C ATOM 0 H ALA A 65 -14.394 0.564 -4.666 1.00 5.33 H new ATOM 0 HA ALA A 65 -15.072 2.573 -6.461 1.00 32.22 H new ATOM 0 HB1 ALA A 65 -12.683 2.401 -7.132 1.00 10.22 H new ATOM 0 HB2 ALA A 65 -12.881 2.346 -5.365 1.00 10.22 H new ATOM 0 HB3 ALA A 65 -12.568 0.847 -6.272 1.00 10.22 H new ATOM 974 N SER A 66 -14.988 -0.361 -7.827 1.00 34.31 N ATOM 975 CA SER A 66 -15.261 -1.120 -9.045 1.00 21.42 C ATOM 976 C SER A 66 -16.439 -0.535 -9.828 1.00 1.41 C ATOM 977 O SER A 66 -16.373 -0.386 -11.049 1.00 61.33 O ATOM 978 CB SER A 66 -15.546 -2.580 -8.687 1.00 62.44 C ATOM 979 OG SER A 66 -16.609 -2.672 -7.754 1.00 52.25 O ATOM 0 H SER A 66 -14.913 -0.937 -6.988 1.00 34.31 H new ATOM 0 HA SER A 66 -14.379 -1.060 -9.683 1.00 21.42 H new ATOM 0 HB2 SER A 66 -15.799 -3.137 -9.589 1.00 62.44 H new ATOM 0 HB3 SER A 66 -14.649 -3.038 -8.270 1.00 62.44 H new ATOM 0 HG SER A 66 -16.293 -2.393 -6.869 1.00 52.25 H new ATOM 985 N GLN A 67 -17.504 -0.188 -9.118 1.00 52.10 N ATOM 986 CA GLN A 67 -18.708 0.334 -9.752 1.00 22.11 C ATOM 987 C GLN A 67 -18.510 1.767 -10.239 1.00 0.31 C ATOM 988 O GLN A 67 -19.081 2.172 -11.252 1.00 50.43 O ATOM 989 CB GLN A 67 -19.890 0.274 -8.783 1.00 21.34 C ATOM 990 CG GLN A 67 -21.242 0.291 -9.477 1.00 30.21 C ATOM 991 CD GLN A 67 -22.408 0.215 -8.508 1.00 10.50 C ATOM 992 OE1 GLN A 67 -23.476 0.774 -8.760 1.00 55.51 O ATOM 993 NE2 GLN A 67 -22.217 -0.480 -7.398 1.00 43.30 N ATOM 0 H GLN A 67 -17.559 -0.258 -8.102 1.00 52.10 H new ATOM 0 HA GLN A 67 -18.920 -0.292 -10.619 1.00 22.11 H new ATOM 0 HB2 GLN A 67 -19.811 -0.631 -8.181 1.00 21.34 H new ATOM 0 HB3 GLN A 67 -19.831 1.119 -8.097 1.00 21.34 H new ATOM 0 HG2 GLN A 67 -21.328 1.202 -10.070 1.00 30.21 H new ATOM 0 HG3 GLN A 67 -21.298 -0.548 -10.171 1.00 30.21 H new ATOM 0 HE21 GLN A 67 -21.317 -0.929 -7.226 1.00 43.30 H new ATOM 0 HE22 GLN A 67 -22.969 -0.567 -6.715 1.00 43.30 H new ATOM 1002 N LEU A 68 -17.697 2.529 -9.521 1.00 24.20 N ATOM 1003 CA LEU A 68 -17.468 3.927 -9.866 1.00 74.32 C ATOM 1004 C LEU A 68 -16.482 4.043 -11.022 1.00 50.45 C ATOM 1005 O LEU A 68 -16.500 5.017 -11.775 1.00 13.23 O ATOM 1006 CB LEU A 68 -16.944 4.717 -8.660 1.00 31.10 C ATOM 1007 CG LEU A 68 -17.974 5.047 -7.572 1.00 1.22 C ATOM 1008 CD1 LEU A 68 -18.429 3.794 -6.837 1.00 31.43 C ATOM 1009 CD2 LEU A 68 -17.399 6.056 -6.592 1.00 42.33 C ATOM 0 H LEU A 68 -17.186 2.206 -8.699 1.00 24.20 H new ATOM 0 HA LEU A 68 -18.425 4.350 -10.170 1.00 74.32 H new ATOM 0 HB2 LEU A 68 -16.133 4.150 -8.204 1.00 31.10 H new ATOM 0 HB3 LEU A 68 -16.515 5.652 -9.022 1.00 31.10 H new ATOM 0 HG LEU A 68 -18.847 5.482 -8.059 1.00 1.22 H new ATOM 0 HD11 LEU A 68 -19.158 4.065 -6.073 1.00 31.43 H new ATOM 0 HD12 LEU A 68 -18.885 3.102 -7.545 1.00 31.43 H new ATOM 0 HD13 LEU A 68 -17.570 3.317 -6.365 1.00 31.43 H new ATOM 0 HD21 LEU A 68 -18.140 6.281 -5.825 1.00 42.33 H new ATOM 0 HD22 LEU A 68 -16.507 5.640 -6.123 1.00 42.33 H new ATOM 0 HD23 LEU A 68 -17.137 6.971 -7.123 1.00 42.33 H new ATOM 1021 N GLY A 69 -15.630 3.037 -11.160 1.00 23.12 N ATOM 1022 CA GLY A 69 -14.664 3.026 -12.240 1.00 2.34 C ATOM 1023 C GLY A 69 -13.569 4.057 -12.049 1.00 24.34 C ATOM 1024 O GLY A 69 -13.207 4.773 -12.987 1.00 53.33 O ATOM 0 H GLY A 69 -15.590 2.227 -10.542 1.00 23.12 H new ATOM 0 HA2 GLY A 69 -14.217 2.035 -12.313 1.00 2.34 H new ATOM 0 HA3 GLY A 69 -15.176 3.215 -13.183 1.00 2.34 H new ATOM 1028 N VAL A 70 -13.046 4.143 -10.833 1.00 10.02 N ATOM 1029 CA VAL A 70 -11.965 5.075 -10.530 1.00 53.23 C ATOM 1030 C VAL A 70 -10.629 4.341 -10.489 1.00 62.32 C ATOM 1031 O VAL A 70 -10.593 3.113 -10.403 1.00 74.21 O ATOM 1032 CB VAL A 70 -12.194 5.818 -9.193 1.00 33.22 C ATOM 1033 CG1 VAL A 70 -13.445 6.681 -9.273 1.00 13.43 C ATOM 1034 CG2 VAL A 70 -12.291 4.836 -8.034 1.00 55.34 C ATOM 0 H VAL A 70 -13.352 3.579 -10.040 1.00 10.02 H new ATOM 0 HA VAL A 70 -11.950 5.820 -11.326 1.00 53.23 H new ATOM 0 HB VAL A 70 -11.337 6.467 -9.012 1.00 33.22 H new ATOM 0 HG11 VAL A 70 -13.592 7.197 -8.324 1.00 13.43 H new ATOM 0 HG12 VAL A 70 -13.331 7.414 -10.071 1.00 13.43 H new ATOM 0 HG13 VAL A 70 -14.309 6.050 -9.481 1.00 13.43 H new ATOM 0 HG21 VAL A 70 -12.452 5.384 -7.105 1.00 55.34 H new ATOM 0 HG22 VAL A 70 -13.125 4.155 -8.203 1.00 55.34 H new ATOM 0 HG23 VAL A 70 -11.365 4.265 -7.963 1.00 55.34 H new ATOM 1044 N LYS A 71 -9.540 5.090 -10.557 1.00 74.44 N ATOM 1045 CA LYS A 71 -8.213 4.504 -10.603 1.00 73.52 C ATOM 1046 C LYS A 71 -7.402 4.906 -9.374 1.00 14.02 C ATOM 1047 O LYS A 71 -7.406 6.069 -8.970 1.00 21.50 O ATOM 1048 CB LYS A 71 -7.515 4.942 -11.903 1.00 14.31 C ATOM 1049 CG LYS A 71 -6.028 4.619 -11.978 1.00 22.44 C ATOM 1050 CD LYS A 71 -5.166 5.786 -11.507 1.00 24.04 C ATOM 1051 CE LYS A 71 -5.337 7.010 -12.396 1.00 13.01 C ATOM 1052 NZ LYS A 71 -4.436 8.127 -11.996 1.00 42.43 N ATOM 0 H LYS A 71 -9.551 6.110 -10.582 1.00 74.44 H new ATOM 0 HA LYS A 71 -8.294 3.417 -10.594 1.00 73.52 H new ATOM 0 HB2 LYS A 71 -8.017 4.466 -12.745 1.00 14.31 H new ATOM 0 HB3 LYS A 71 -7.644 6.018 -12.022 1.00 14.31 H new ATOM 0 HG2 LYS A 71 -5.816 3.742 -11.367 1.00 22.44 H new ATOM 0 HG3 LYS A 71 -5.764 4.364 -13.004 1.00 22.44 H new ATOM 0 HD2 LYS A 71 -5.430 6.042 -10.481 1.00 24.04 H new ATOM 0 HD3 LYS A 71 -4.118 5.485 -11.501 1.00 24.04 H new ATOM 0 HE2 LYS A 71 -5.135 6.736 -13.431 1.00 13.01 H new ATOM 0 HE3 LYS A 71 -6.373 7.347 -12.352 1.00 13.01 H new ATOM 0 HZ1 LYS A 71 -4.680 8.981 -12.537 1.00 42.43 H new ATOM 0 HZ2 LYS A 71 -4.549 8.317 -10.980 1.00 42.43 H new ATOM 0 HZ3 LYS A 71 -3.449 7.864 -12.191 1.00 42.43 H new ATOM 1066 N ILE A 72 -6.740 3.933 -8.763 1.00 32.32 N ATOM 1067 CA ILE A 72 -5.818 4.218 -7.670 1.00 51.01 C ATOM 1068 C ILE A 72 -4.414 3.748 -8.042 1.00 23.20 C ATOM 1069 O ILE A 72 -4.251 2.811 -8.830 1.00 43.12 O ATOM 1070 CB ILE A 72 -6.261 3.571 -6.329 1.00 63.32 C ATOM 1071 CG1 ILE A 72 -6.041 2.056 -6.329 1.00 5.40 C ATOM 1072 CG2 ILE A 72 -7.722 3.888 -6.040 1.00 13.42 C ATOM 1073 CD1 ILE A 72 -4.861 1.615 -5.488 1.00 14.34 C ATOM 0 H ILE A 72 -6.823 2.945 -9.003 1.00 32.32 H new ATOM 0 HA ILE A 72 -5.821 5.297 -7.517 1.00 51.01 H new ATOM 0 HB ILE A 72 -5.640 3.998 -5.541 1.00 63.32 H new ATOM 0 HG12 ILE A 72 -6.942 1.566 -5.961 1.00 5.40 H new ATOM 0 HG13 ILE A 72 -5.892 1.719 -7.355 1.00 5.40 H new ATOM 0 HG21 ILE A 72 -8.015 3.427 -5.097 1.00 13.42 H new ATOM 0 HG22 ILE A 72 -7.853 4.968 -5.972 1.00 13.42 H new ATOM 0 HG23 ILE A 72 -8.345 3.497 -6.844 1.00 13.42 H new ATOM 0 HD11 ILE A 72 -4.766 0.530 -5.535 1.00 14.34 H new ATOM 0 HD12 ILE A 72 -3.950 2.076 -5.869 1.00 14.34 H new ATOM 0 HD13 ILE A 72 -5.017 1.921 -4.454 1.00 14.34 H new ATOM 1085 N ARG A 73 -3.404 4.408 -7.492 1.00 43.35 N ATOM 1086 CA ARG A 73 -2.021 4.068 -7.794 1.00 74.42 C ATOM 1087 C ARG A 73 -1.522 2.935 -6.903 1.00 54.03 C ATOM 1088 O ARG A 73 -1.518 3.056 -5.680 1.00 64.04 O ATOM 1089 CB ARG A 73 -1.106 5.286 -7.614 1.00 30.33 C ATOM 1090 CG ARG A 73 0.369 4.956 -7.794 1.00 3.22 C ATOM 1091 CD ARG A 73 1.267 6.112 -7.384 1.00 12.34 C ATOM 1092 NE ARG A 73 2.684 5.746 -7.439 1.00 3.32 N ATOM 1093 CZ ARG A 73 3.652 6.392 -6.785 1.00 42.15 C ATOM 1094 NH1 ARG A 73 3.361 7.403 -5.976 1.00 74.50 N ATOM 1095 NH2 ARG A 73 4.911 6.004 -6.918 1.00 21.40 N ATOM 0 H ARG A 73 -3.516 5.181 -6.836 1.00 43.35 H new ATOM 0 HA ARG A 73 -1.991 3.742 -8.834 1.00 74.42 H new ATOM 0 HB2 ARG A 73 -1.390 6.056 -8.332 1.00 30.33 H new ATOM 0 HB3 ARG A 73 -1.260 5.705 -6.620 1.00 30.33 H new ATOM 0 HG2 ARG A 73 0.618 4.076 -7.201 1.00 3.22 H new ATOM 0 HG3 ARG A 73 0.559 4.702 -8.837 1.00 3.22 H new ATOM 0 HD2 ARG A 73 1.086 6.963 -8.040 1.00 12.34 H new ATOM 0 HD3 ARG A 73 1.012 6.429 -6.373 1.00 12.34 H new ATOM 0 HE ARG A 73 2.948 4.946 -8.014 1.00 3.32 H new ATOM 0 HH11 ARG A 73 2.391 7.692 -5.850 1.00 74.50 H new ATOM 0 HH12 ARG A 73 4.107 7.891 -5.480 1.00 74.50 H new ATOM 0 HH21 ARG A 73 5.140 5.213 -7.519 1.00 21.40 H new ATOM 0 HH22 ARG A 73 5.652 6.496 -6.419 1.00 21.40 H new ATOM 1109 N ILE A 74 -1.110 1.836 -7.518 1.00 31.41 N ATOM 1110 CA ILE A 74 -0.393 0.805 -6.793 1.00 22.32 C ATOM 1111 C ILE A 74 1.082 1.188 -6.768 1.00 65.22 C ATOM 1112 O ILE A 74 1.614 1.712 -7.750 1.00 42.50 O ATOM 1113 CB ILE A 74 -0.587 -0.612 -7.396 1.00 24.42 C ATOM 1114 CG1 ILE A 74 -0.110 -1.679 -6.411 1.00 15.32 C ATOM 1115 CG2 ILE A 74 0.145 -0.759 -8.719 1.00 31.11 C ATOM 1116 CD1 ILE A 74 -0.873 -1.677 -5.105 1.00 60.14 C ATOM 0 H ILE A 74 -1.259 1.639 -8.508 1.00 31.41 H new ATOM 0 HA ILE A 74 -0.797 0.748 -5.782 1.00 22.32 H new ATOM 0 HB ILE A 74 -1.652 -0.749 -7.584 1.00 24.42 H new ATOM 0 HG12 ILE A 74 -0.204 -2.660 -6.876 1.00 15.32 H new ATOM 0 HG13 ILE A 74 0.949 -1.524 -6.204 1.00 15.32 H new ATOM 0 HG21 ILE A 74 -0.013 -1.763 -9.112 1.00 31.11 H new ATOM 0 HG22 ILE A 74 -0.238 -0.027 -9.430 1.00 31.11 H new ATOM 0 HG23 ILE A 74 1.211 -0.593 -8.565 1.00 31.11 H new ATOM 0 HD11 ILE A 74 -0.482 -2.459 -4.454 1.00 60.14 H new ATOM 0 HD12 ILE A 74 -0.758 -0.709 -4.618 1.00 60.14 H new ATOM 0 HD13 ILE A 74 -1.929 -1.862 -5.300 1.00 60.14 H new ATOM 1643 N ARG A 107 -8.793 -6.399 -12.849 1.00 2.55 N ATOM 1644 CA ARG A 107 -7.607 -5.607 -12.570 1.00 30.11 C ATOM 1645 C ARG A 107 -7.600 -4.375 -13.470 1.00 4.54 C ATOM 1646 O ARG A 107 -7.681 -4.483 -14.694 1.00 50.00 O ATOM 1647 CB ARG A 107 -6.322 -6.426 -12.757 1.00 3.04 C ATOM 1648 CG ARG A 107 -6.206 -7.118 -14.105 1.00 34.13 C ATOM 1649 CD ARG A 107 -4.858 -6.884 -14.765 1.00 2.02 C ATOM 1650 NE ARG A 107 -4.862 -5.684 -15.600 1.00 21.22 N ATOM 1651 CZ ARG A 107 -5.318 -5.654 -16.853 1.00 63.24 C ATOM 1652 NH1 ARG A 107 -5.798 -6.756 -17.421 1.00 53.21 N ATOM 1653 NH2 ARG A 107 -5.295 -4.518 -17.537 1.00 1.04 N ATOM 0 HA ARG A 107 -7.636 -5.294 -11.526 1.00 30.11 H new ATOM 0 HB2 ARG A 107 -5.464 -5.767 -12.626 1.00 3.04 H new ATOM 0 HB3 ARG A 107 -6.268 -7.179 -11.971 1.00 3.04 H new ATOM 0 HG2 ARG A 107 -6.362 -8.189 -13.975 1.00 34.13 H new ATOM 0 HG3 ARG A 107 -6.997 -6.758 -14.764 1.00 34.13 H new ATOM 0 HD2 ARG A 107 -4.089 -6.790 -13.998 1.00 2.02 H new ATOM 0 HD3 ARG A 107 -4.597 -7.749 -15.374 1.00 2.02 H new ATOM 0 HE ARG A 107 -4.495 -4.820 -15.201 1.00 21.22 H new ATOM 0 HH11 ARG A 107 -5.819 -7.632 -16.898 1.00 53.21 H new ATOM 0 HH12 ARG A 107 -6.145 -6.726 -18.380 1.00 53.21 H new ATOM 0 HH21 ARG A 107 -4.929 -3.670 -17.105 1.00 1.04 H new ATOM 0 HH22 ARG A 107 -5.643 -4.493 -18.495 1.00 1.04 H new ATOM 1667 N GLY A 108 -7.529 -3.212 -12.854 1.00 63.22 N ATOM 1668 CA GLY A 108 -7.605 -1.967 -13.590 1.00 11.52 C ATOM 1669 C GLY A 108 -7.970 -0.820 -12.680 1.00 43.34 C ATOM 1670 O GLY A 108 -7.617 0.333 -12.936 1.00 63.22 O ATOM 0 H GLY A 108 -7.419 -3.103 -11.846 1.00 63.22 H new ATOM 0 HA2 GLY A 108 -6.647 -1.765 -14.069 1.00 11.52 H new ATOM 0 HA3 GLY A 108 -8.346 -2.055 -14.384 1.00 11.52 H new ATOM 1674 N ILE A 109 -8.696 -1.145 -11.613 1.00 23.43 N ATOM 1675 CA ILE A 109 -8.993 -0.183 -10.558 1.00 44.13 C ATOM 1676 C ILE A 109 -7.693 0.295 -9.931 1.00 14.23 C ATOM 1677 O ILE A 109 -7.532 1.471 -9.614 1.00 73.41 O ATOM 1678 CB ILE A 109 -9.884 -0.808 -9.463 1.00 61.43 C ATOM 1679 CG1 ILE A 109 -11.101 -1.493 -10.089 1.00 21.40 C ATOM 1680 CG2 ILE A 109 -10.329 0.260 -8.471 1.00 4.34 C ATOM 1681 CD1 ILE A 109 -11.925 -2.285 -9.098 1.00 3.34 C ATOM 0 H ILE A 109 -9.091 -2.073 -11.457 1.00 23.43 H new ATOM 0 HA ILE A 109 -9.531 0.654 -11.003 1.00 44.13 H new ATOM 0 HB ILE A 109 -9.302 -1.559 -8.929 1.00 61.43 H new ATOM 0 HG12 ILE A 109 -11.734 -0.737 -10.554 1.00 21.40 H new ATOM 0 HG13 ILE A 109 -10.764 -2.159 -10.883 1.00 21.40 H new ATOM 0 HG21 ILE A 109 -10.957 -0.194 -7.704 1.00 4.34 H new ATOM 0 HG22 ILE A 109 -9.453 0.710 -8.003 1.00 4.34 H new ATOM 0 HG23 ILE A 109 -10.896 1.030 -8.995 1.00 4.34 H new ATOM 0 HD11 ILE A 109 -12.771 -2.743 -9.611 1.00 3.34 H new ATOM 0 HD12 ILE A 109 -11.307 -3.064 -8.651 1.00 3.34 H new ATOM 0 HD13 ILE A 109 -12.292 -1.620 -8.316 1.00 3.34 H new ATOM 1693 N TYR A 110 -6.761 -0.628 -9.764 1.00 34.34 N ATOM 1694 CA TYR A 110 -5.433 -0.269 -9.323 1.00 65.34 C ATOM 1695 C TYR A 110 -4.454 -0.470 -10.471 1.00 65.23 C ATOM 1696 O TYR A 110 -4.596 -1.403 -11.264 1.00 71.10 O ATOM 1697 CB TYR A 110 -5.012 -1.105 -8.103 1.00 23.21 C ATOM 1698 CG TYR A 110 -4.641 -2.539 -8.421 1.00 50.51 C ATOM 1699 CD1 TYR A 110 -5.617 -3.512 -8.608 1.00 30.31 C ATOM 1700 CD2 TYR A 110 -3.308 -2.918 -8.539 1.00 45.34 C ATOM 1701 CE1 TYR A 110 -5.273 -4.818 -8.902 1.00 73.31 C ATOM 1702 CE2 TYR A 110 -2.958 -4.219 -8.835 1.00 62.35 C ATOM 1703 CZ TYR A 110 -3.943 -5.166 -9.015 1.00 21.34 C ATOM 1704 OH TYR A 110 -3.596 -6.463 -9.313 1.00 34.02 O ATOM 0 H TYR A 110 -6.902 -1.625 -9.927 1.00 34.34 H new ATOM 0 HA TYR A 110 -5.430 0.778 -9.021 1.00 65.34 H new ATOM 0 HB2 TYR A 110 -4.161 -0.621 -7.623 1.00 23.21 H new ATOM 0 HB3 TYR A 110 -5.828 -1.106 -7.380 1.00 23.21 H new ATOM 0 HD1 TYR A 110 -6.659 -3.243 -8.522 1.00 30.31 H new ATOM 0 HD2 TYR A 110 -2.533 -2.180 -8.396 1.00 45.34 H new ATOM 0 HE1 TYR A 110 -6.042 -5.563 -9.043 1.00 73.31 H new ATOM 0 HE2 TYR A 110 -1.918 -4.494 -8.925 1.00 62.35 H new ATOM 0 HH TYR A 110 -2.620 -6.539 -9.357 1.00 34.02 H new ATOM 1714 N SER A 111 -3.479 0.412 -10.551 1.00 64.24 N ATOM 1715 CA SER A 111 -2.413 0.335 -11.540 1.00 72.44 C ATOM 1716 C SER A 111 -1.280 1.217 -11.061 1.00 75.14 C ATOM 1717 O SER A 111 -1.488 2.047 -10.179 1.00 73.13 O ATOM 1718 CB SER A 111 -2.900 0.805 -12.921 1.00 45.22 C ATOM 1719 OG SER A 111 -3.959 -0.007 -13.403 1.00 50.04 O ATOM 0 H SER A 111 -3.400 1.214 -9.925 1.00 64.24 H new ATOM 0 HA SER A 111 -2.083 -0.698 -11.647 1.00 72.44 H new ATOM 0 HB2 SER A 111 -3.234 1.841 -12.857 1.00 45.22 H new ATOM 0 HB3 SER A 111 -2.071 0.781 -13.628 1.00 45.22 H new ATOM 0 HG SER A 111 -4.029 -0.814 -12.852 1.00 50.04 H new ATOM 1725 N PHE A 112 -0.090 1.056 -11.608 1.00 62.05 N ATOM 1726 CA PHE A 112 1.010 1.901 -11.188 1.00 33.35 C ATOM 1727 C PHE A 112 1.226 2.993 -12.214 1.00 53.40 C ATOM 1728 O PHE A 112 1.207 2.751 -13.423 1.00 43.31 O ATOM 1729 CB PHE A 112 2.294 1.088 -10.956 1.00 45.41 C ATOM 1730 CG PHE A 112 2.842 0.400 -12.175 1.00 32.43 C ATOM 1731 CD1 PHE A 112 2.325 -0.816 -12.593 1.00 54.33 C ATOM 1732 CD2 PHE A 112 3.879 0.968 -12.900 1.00 63.43 C ATOM 1733 CE1 PHE A 112 2.831 -1.453 -13.709 1.00 71.12 C ATOM 1734 CE2 PHE A 112 4.390 0.335 -14.016 1.00 22.21 C ATOM 1735 CZ PHE A 112 3.865 -0.875 -14.421 1.00 32.05 C ATOM 0 H PHE A 112 0.136 0.367 -12.325 1.00 62.05 H new ATOM 0 HA PHE A 112 0.754 2.358 -10.232 1.00 33.35 H new ATOM 0 HB2 PHE A 112 3.060 1.754 -10.558 1.00 45.41 H new ATOM 0 HB3 PHE A 112 2.097 0.336 -10.192 1.00 45.41 H new ATOM 0 HD1 PHE A 112 1.517 -1.271 -12.039 1.00 54.33 H new ATOM 0 HD2 PHE A 112 4.292 1.916 -12.588 1.00 63.43 H new ATOM 0 HE1 PHE A 112 2.420 -2.400 -14.025 1.00 71.12 H new ATOM 0 HE2 PHE A 112 5.199 0.786 -14.571 1.00 22.21 H new ATOM 0 HZ PHE A 112 4.262 -1.371 -15.295 1.00 32.05 H new ATOM 1745 N GLU A 113 1.423 4.194 -11.720 1.00 45.31 N ATOM 1746 CA GLU A 113 1.554 5.354 -12.569 1.00 11.20 C ATOM 1747 C GLU A 113 3.004 5.794 -12.575 1.00 63.04 C ATOM 1748 O GLU A 113 3.495 6.368 -11.603 1.00 73.41 O ATOM 1749 CB GLU A 113 0.626 6.460 -12.065 1.00 55.33 C ATOM 1750 CG GLU A 113 0.382 7.575 -13.064 1.00 21.13 C ATOM 1751 CD GLU A 113 -0.803 8.435 -12.675 1.00 23.30 C ATOM 1752 OE1 GLU A 113 -1.949 8.063 -13.021 1.00 14.31 O ATOM 1753 OE2 GLU A 113 -0.601 9.471 -12.006 1.00 41.55 O ATOM 0 H GLU A 113 1.497 4.393 -10.722 1.00 45.31 H new ATOM 0 HA GLU A 113 1.263 5.119 -13.593 1.00 11.20 H new ATOM 0 HB2 GLU A 113 -0.332 6.018 -11.791 1.00 55.33 H new ATOM 0 HB3 GLU A 113 1.050 6.888 -11.157 1.00 55.33 H new ATOM 0 HG2 GLU A 113 1.274 8.198 -13.137 1.00 21.13 H new ATOM 0 HG3 GLU A 113 0.210 7.146 -14.051 1.00 21.13 H new ATOM 1760 N LYS A 114 3.695 5.486 -13.662 1.00 42.21 N ATOM 1761 CA LYS A 114 5.123 5.705 -13.740 1.00 24.41 C ATOM 1762 C LYS A 114 5.453 7.168 -13.988 1.00 25.13 C ATOM 1763 O LYS A 114 5.726 7.586 -15.113 1.00 74.02 O ATOM 1764 CB LYS A 114 5.741 4.800 -14.793 1.00 23.14 C ATOM 1765 CG LYS A 114 4.835 4.589 -15.972 1.00 14.21 C ATOM 1766 CD LYS A 114 5.176 3.327 -16.724 1.00 24.03 C ATOM 1767 CE LYS A 114 4.044 2.997 -17.653 1.00 25.00 C ATOM 1768 NZ LYS A 114 4.385 1.937 -18.640 1.00 3.32 N ATOM 0 H LYS A 114 3.284 5.082 -14.503 1.00 42.21 H new ATOM 0 HA LYS A 114 5.560 5.446 -12.776 1.00 24.41 H new ATOM 0 HB2 LYS A 114 6.681 5.234 -15.134 1.00 23.14 H new ATOM 0 HB3 LYS A 114 5.979 3.836 -14.344 1.00 23.14 H new ATOM 0 HG2 LYS A 114 3.801 4.540 -15.631 1.00 14.21 H new ATOM 0 HG3 LYS A 114 4.909 5.444 -16.644 1.00 14.21 H new ATOM 0 HD2 LYS A 114 6.100 3.461 -17.287 1.00 24.03 H new ATOM 0 HD3 LYS A 114 5.344 2.506 -16.027 1.00 24.03 H new ATOM 0 HE2 LYS A 114 3.184 2.675 -17.067 1.00 25.00 H new ATOM 0 HE3 LYS A 114 3.746 3.899 -18.187 1.00 25.00 H new ATOM 0 HZ1 LYS A 114 3.564 1.755 -19.251 1.00 3.32 H new ATOM 0 HZ2 LYS A 114 5.188 2.250 -19.222 1.00 3.32 H new ATOM 0 HZ3 LYS A 114 4.642 1.064 -18.137 1.00 3.32 H new ATOM 1782 N VAL A 115 5.376 7.947 -12.925 1.00 71.10 N ATOM 1783 CA VAL A 115 5.755 9.344 -12.958 1.00 3.35 C ATOM 1784 C VAL A 115 6.890 9.574 -11.974 1.00 50.00 C ATOM 1785 O VAL A 115 6.927 8.954 -10.909 1.00 50.21 O ATOM 1786 CB VAL A 115 4.568 10.276 -12.617 1.00 35.21 C ATOM 1787 CG1 VAL A 115 3.501 10.190 -13.695 1.00 1.05 C ATOM 1788 CG2 VAL A 115 3.978 9.932 -11.256 1.00 44.34 C ATOM 0 H VAL A 115 5.048 7.627 -12.014 1.00 71.10 H new ATOM 0 HA VAL A 115 6.076 9.584 -13.972 1.00 3.35 H new ATOM 0 HB VAL A 115 4.941 11.299 -12.575 1.00 35.21 H new ATOM 0 HG11 VAL A 115 2.673 10.851 -13.441 1.00 1.05 H new ATOM 0 HG12 VAL A 115 3.926 10.492 -14.652 1.00 1.05 H new ATOM 0 HG13 VAL A 115 3.138 9.165 -13.767 1.00 1.05 H new ATOM 0 HG21 VAL A 115 3.145 10.602 -11.041 1.00 44.34 H new ATOM 0 HG22 VAL A 115 3.622 8.902 -11.264 1.00 44.34 H new ATOM 0 HG23 VAL A 115 4.743 10.046 -10.488 1.00 44.34 H new ATOM 1798 N LYS A 116 7.824 10.439 -12.332 1.00 23.21 N ATOM 1799 CA LYS A 116 8.985 10.675 -11.491 1.00 2.23 C ATOM 1800 C LYS A 116 8.652 11.636 -10.369 1.00 45.33 C ATOM 1801 O LYS A 116 8.784 12.856 -10.494 1.00 14.23 O ATOM 1802 CB LYS A 116 10.178 11.166 -12.310 1.00 33.21 C ATOM 1803 CG LYS A 116 10.969 10.037 -12.948 1.00 52.23 C ATOM 1804 CD LYS A 116 10.097 9.176 -13.846 1.00 21.30 C ATOM 1805 CE LYS A 116 10.872 8.012 -14.436 1.00 60.12 C ATOM 1806 NZ LYS A 116 11.278 7.029 -13.397 1.00 40.34 N ATOM 0 H LYS A 116 7.802 10.986 -13.193 1.00 23.21 H new ATOM 0 HA LYS A 116 9.271 9.723 -11.043 1.00 2.23 H new ATOM 0 HB2 LYS A 116 9.823 11.839 -13.091 1.00 33.21 H new ATOM 0 HB3 LYS A 116 10.839 11.746 -11.666 1.00 33.21 H new ATOM 0 HG2 LYS A 116 11.791 10.453 -13.530 1.00 52.23 H new ATOM 0 HG3 LYS A 116 11.412 9.417 -12.168 1.00 52.23 H new ATOM 0 HD2 LYS A 116 9.250 8.796 -13.274 1.00 21.30 H new ATOM 0 HD3 LYS A 116 9.690 9.787 -14.651 1.00 21.30 H new ATOM 0 HE2 LYS A 116 10.260 7.513 -15.188 1.00 60.12 H new ATOM 0 HE3 LYS A 116 11.759 8.388 -14.945 1.00 60.12 H new ATOM 0 HZ1 LYS A 116 11.621 6.161 -13.856 1.00 40.34 H new ATOM 0 HZ2 LYS A 116 12.037 7.435 -12.813 1.00 40.34 H new ATOM 0 HZ3 LYS A 116 10.461 6.803 -12.795 1.00 40.34 H new ATOM 1820 N ALA A 117 8.200 11.055 -9.281 1.00 73.41 N ATOM 1821 CA ALA A 117 7.765 11.811 -8.124 1.00 5.41 C ATOM 1822 C ALA A 117 8.951 12.251 -7.278 1.00 23.13 C ATOM 1823 O ALA A 117 9.507 11.467 -6.504 1.00 74.24 O ATOM 1824 CB ALA A 117 6.791 10.994 -7.291 1.00 14.43 C ATOM 0 H ALA A 117 8.123 10.044 -9.171 1.00 73.41 H new ATOM 0 HA ALA A 117 7.255 12.706 -8.479 1.00 5.41 H new ATOM 0 HB1 ALA A 117 6.474 11.577 -6.426 1.00 14.43 H new ATOM 0 HB2 ALA A 117 5.920 10.739 -7.895 1.00 14.43 H new ATOM 0 HB3 ALA A 117 7.279 10.080 -6.954 1.00 14.43 H new ATOM 1830 N HIS A 118 9.348 13.499 -7.461 1.00 62.14 N ATOM 1831 CA HIS A 118 10.395 14.114 -6.656 1.00 64.55 C ATOM 1832 C HIS A 118 10.042 15.575 -6.400 1.00 4.24 C ATOM 1833 O HIS A 118 10.889 16.463 -6.461 1.00 30.43 O ATOM 1834 CB HIS A 118 11.774 13.983 -7.334 1.00 34.50 C ATOM 1835 CG HIS A 118 11.842 14.495 -8.747 1.00 24.44 C ATOM 1836 ND1 HIS A 118 11.863 13.665 -9.847 1.00 32.14 N ATOM 1837 CD2 HIS A 118 11.919 15.756 -9.235 1.00 10.35 C ATOM 1838 CE1 HIS A 118 11.949 14.393 -10.944 1.00 31.22 C ATOM 1839 NE2 HIS A 118 11.985 15.666 -10.601 1.00 33.25 N ATOM 0 H HIS A 118 8.955 14.116 -8.171 1.00 62.14 H new ATOM 0 HA HIS A 118 10.460 13.592 -5.702 1.00 64.55 H new ATOM 0 HB2 HIS A 118 12.509 14.520 -6.734 1.00 34.50 H new ATOM 0 HB3 HIS A 118 12.065 12.933 -7.330 1.00 34.50 H new ATOM 0 HD2 HIS A 118 11.927 16.666 -8.654 1.00 10.35 H new ATOM 0 HE1 HIS A 118 11.984 14.011 -11.953 1.00 31.22 H new ATOM 0 HE2 HIS A 118 12.051 16.454 -11.246 1.00 33.25 H new ATOM 1848 N SER A 119 8.771 15.806 -6.109 1.00 42.34 N ATOM 1849 CA SER A 119 8.253 17.149 -5.907 1.00 2.10 C ATOM 1850 C SER A 119 8.714 17.735 -4.574 1.00 2.15 C ATOM 1851 O SER A 119 8.826 18.954 -4.427 1.00 31.40 O ATOM 1852 CB SER A 119 6.725 17.117 -5.954 1.00 11.30 C ATOM 1853 OG SER A 119 6.269 16.408 -7.094 1.00 41.22 O ATOM 0 H SER A 119 8.072 15.070 -6.007 1.00 42.34 H new ATOM 0 HA SER A 119 8.639 17.785 -6.704 1.00 2.10 H new ATOM 0 HB2 SER A 119 6.339 16.647 -5.050 1.00 11.30 H new ATOM 0 HB3 SER A 119 6.336 18.135 -5.974 1.00 11.30 H new ATOM 0 HG SER A 119 5.289 16.399 -7.103 1.00 41.22 H new ATOM 1859 N GLY A 120 8.990 16.866 -3.609 1.00 34.01 N ATOM 1860 CA GLY A 120 9.337 17.325 -2.281 1.00 1.23 C ATOM 1861 C GLY A 120 8.134 17.316 -1.367 1.00 32.20 C ATOM 1862 O GLY A 120 8.122 17.968 -0.323 1.00 2.54 O ATOM 0 H GLY A 120 8.979 15.853 -3.724 1.00 34.01 H new ATOM 0 HA2 GLY A 120 10.117 16.687 -1.865 1.00 1.23 H new ATOM 0 HA3 GLY A 120 9.746 18.334 -2.338 1.00 1.23 H new ATOM 1866 N ASN A 121 7.118 16.567 -1.776 1.00 14.53 N ATOM 1867 CA ASN A 121 5.876 16.451 -1.026 1.00 41.44 C ATOM 1868 C ASN A 121 6.136 15.801 0.326 1.00 34.51 C ATOM 1869 O ASN A 121 6.540 14.639 0.395 1.00 73.00 O ATOM 1870 CB ASN A 121 4.870 15.623 -1.829 1.00 13.41 C ATOM 1871 CG ASN A 121 3.551 15.425 -1.109 1.00 62.14 C ATOM 1872 OD1 ASN A 121 3.401 14.496 -0.318 1.00 4.42 O ATOM 1873 ND2 ASN A 121 2.580 16.276 -1.396 1.00 43.14 N ATOM 0 H ASN A 121 7.133 16.022 -2.638 1.00 14.53 H new ATOM 0 HA ASN A 121 5.465 17.446 -0.856 1.00 41.44 H new ATOM 0 HB2 ASN A 121 4.685 16.114 -2.784 1.00 13.41 H new ATOM 0 HB3 ASN A 121 5.306 14.649 -2.051 1.00 13.41 H new ATOM 0 HD21 ASN A 121 1.666 16.174 -0.955 1.00 43.14 H new ATOM 0 HD22 ASN A 121 2.745 17.034 -2.058 1.00 43.14 H new ATOM 1880 N GLU A 122 5.909 16.554 1.392 1.00 43.50 N ATOM 1881 CA GLU A 122 6.219 16.097 2.743 1.00 44.53 C ATOM 1882 C GLU A 122 5.405 14.870 3.136 1.00 65.50 C ATOM 1883 O GLU A 122 5.870 14.047 3.914 1.00 70.22 O ATOM 1884 CB GLU A 122 5.997 17.214 3.765 1.00 44.35 C ATOM 1885 CG GLU A 122 6.780 18.480 3.467 1.00 71.45 C ATOM 1886 CD GLU A 122 5.952 19.505 2.724 1.00 54.20 C ATOM 1887 OE1 GLU A 122 5.608 19.269 1.548 1.00 21.22 O ATOM 1888 OE2 GLU A 122 5.634 20.552 3.321 1.00 51.14 O ATOM 0 H GLU A 122 5.508 17.491 1.349 1.00 43.50 H new ATOM 0 HA GLU A 122 7.272 15.816 2.743 1.00 44.53 H new ATOM 0 HB2 GLU A 122 4.935 17.455 3.801 1.00 44.35 H new ATOM 0 HB3 GLU A 122 6.275 16.850 4.754 1.00 44.35 H new ATOM 0 HG2 GLU A 122 7.137 18.913 4.402 1.00 71.45 H new ATOM 0 HG3 GLU A 122 7.660 18.229 2.875 1.00 71.45 H new ATOM 1895 N PHE A 123 4.203 14.739 2.590 1.00 61.35 N ATOM 1896 CA PHE A 123 3.352 13.594 2.906 1.00 2.44 C ATOM 1897 C PHE A 123 3.985 12.312 2.366 1.00 11.32 C ATOM 1898 O PHE A 123 3.950 11.264 3.009 1.00 42.04 O ATOM 1899 CB PHE A 123 1.946 13.783 2.326 1.00 64.20 C ATOM 1900 CG PHE A 123 1.275 15.052 2.771 1.00 62.52 C ATOM 1901 CD1 PHE A 123 0.760 15.168 4.052 1.00 1.10 C ATOM 1902 CD2 PHE A 123 1.162 16.128 1.907 1.00 41.54 C ATOM 1903 CE1 PHE A 123 0.140 16.333 4.461 1.00 31.11 C ATOM 1904 CE2 PHE A 123 0.543 17.295 2.308 1.00 44.13 C ATOM 1905 CZ PHE A 123 0.032 17.398 3.589 1.00 61.22 C ATOM 0 H PHE A 123 3.796 15.403 1.932 1.00 61.35 H new ATOM 0 HA PHE A 123 3.261 13.516 3.989 1.00 2.44 H new ATOM 0 HB2 PHE A 123 2.008 13.777 1.238 1.00 64.20 H new ATOM 0 HB3 PHE A 123 1.326 12.934 2.615 1.00 64.20 H new ATOM 0 HD1 PHE A 123 0.844 14.339 4.738 1.00 1.10 H new ATOM 0 HD2 PHE A 123 1.563 16.053 0.907 1.00 41.54 H new ATOM 0 HE1 PHE A 123 -0.260 16.410 5.461 1.00 31.11 H new ATOM 0 HE2 PHE A 123 0.458 18.126 1.623 1.00 44.13 H new ATOM 0 HZ PHE A 123 -0.451 18.310 3.907 1.00 61.22 H new ATOM 1915 N ASN A 124 4.575 12.419 1.185 1.00 30.14 N ATOM 1916 CA ASN A 124 5.324 11.322 0.585 1.00 2.13 C ATOM 1917 C ASN A 124 6.644 11.131 1.326 1.00 10.33 C ATOM 1918 O ASN A 124 7.070 10.008 1.599 1.00 60.45 O ATOM 1919 CB ASN A 124 5.587 11.626 -0.898 1.00 71.31 C ATOM 1920 CG ASN A 124 6.344 10.520 -1.613 1.00 11.34 C ATOM 1921 OD1 ASN A 124 5.742 9.602 -2.175 1.00 53.32 O ATOM 1922 ND2 ASN A 124 7.663 10.609 -1.617 1.00 20.14 N ATOM 0 H ASN A 124 4.549 13.265 0.616 1.00 30.14 H new ATOM 0 HA ASN A 124 4.742 10.403 0.661 1.00 2.13 H new ATOM 0 HB2 ASN A 124 4.635 11.790 -1.403 1.00 71.31 H new ATOM 0 HB3 ASN A 124 6.153 12.554 -0.977 1.00 71.31 H new ATOM 0 HD21 ASN A 124 8.220 9.902 -2.097 1.00 20.14 H new ATOM 0 HD22 ASN A 124 8.123 11.384 -1.140 1.00 20.14 H new ATOM 1929 N ASP A 125 7.260 12.254 1.678 1.00 22.51 N ATOM 1930 CA ASP A 125 8.577 12.264 2.306 1.00 42.24 C ATOM 1931 C ASP A 125 8.524 11.717 3.733 1.00 31.41 C ATOM 1932 O ASP A 125 9.523 11.202 4.243 1.00 14.20 O ATOM 1933 CB ASP A 125 9.144 13.683 2.307 1.00 50.40 C ATOM 1934 CG ASP A 125 10.636 13.710 2.556 1.00 53.34 C ATOM 1935 OD1 ASP A 125 11.398 13.319 1.641 1.00 50.42 O ATOM 1936 OD2 ASP A 125 11.061 14.145 3.645 1.00 53.44 O ATOM 0 H ASP A 125 6.861 13.182 1.536 1.00 22.51 H new ATOM 0 HA ASP A 125 9.230 11.613 1.725 1.00 42.24 H new ATOM 0 HB2 ASP A 125 8.930 14.157 1.349 1.00 50.40 H new ATOM 0 HB3 ASP A 125 8.640 14.272 3.074 1.00 50.40 H new ATOM 1941 N TYR A 126 7.354 11.834 4.369 1.00 62.24 N ATOM 1942 CA TYR A 126 7.136 11.287 5.710 1.00 42.43 C ATOM 1943 C TYR A 126 7.584 9.839 5.778 1.00 32.55 C ATOM 1944 O TYR A 126 8.375 9.455 6.639 1.00 73.41 O ATOM 1945 CB TYR A 126 5.652 11.324 6.091 1.00 4.12 C ATOM 1946 CG TYR A 126 5.170 12.610 6.722 1.00 24.42 C ATOM 1947 CD1 TYR A 126 5.805 13.147 7.834 1.00 63.11 C ATOM 1948 CD2 TYR A 126 4.062 13.273 6.213 1.00 32.54 C ATOM 1949 CE1 TYR A 126 5.348 14.313 8.419 1.00 4.00 C ATOM 1950 CE2 TYR A 126 3.597 14.434 6.793 1.00 33.44 C ATOM 1951 CZ TYR A 126 4.244 14.951 7.895 1.00 34.31 C ATOM 1952 OH TYR A 126 3.777 16.106 8.479 1.00 41.35 O ATOM 0 H TYR A 126 6.540 12.305 3.973 1.00 62.24 H new ATOM 0 HA TYR A 126 7.716 11.903 6.398 1.00 42.43 H new ATOM 0 HB2 TYR A 126 5.061 11.137 5.195 1.00 4.12 H new ATOM 0 HB3 TYR A 126 5.452 10.505 6.782 1.00 4.12 H new ATOM 0 HD1 TYR A 126 6.668 12.647 8.248 1.00 63.11 H new ATOM 0 HD2 TYR A 126 3.555 12.872 5.347 1.00 32.54 H new ATOM 0 HE1 TYR A 126 5.853 14.722 9.282 1.00 4.00 H new ATOM 0 HE2 TYR A 126 2.731 14.935 6.386 1.00 33.44 H new ATOM 0 HH TYR A 126 2.993 16.428 7.986 1.00 41.35 H new ATOM 1962 N VAL A 127 7.073 9.048 4.852 1.00 12.24 N ATOM 1963 CA VAL A 127 7.262 7.612 4.884 1.00 13.45 C ATOM 1964 C VAL A 127 8.675 7.231 4.453 1.00 4.54 C ATOM 1965 O VAL A 127 9.241 6.264 4.965 1.00 70.22 O ATOM 1966 CB VAL A 127 6.230 6.898 3.995 1.00 12.12 C ATOM 1967 CG1 VAL A 127 6.051 5.459 4.437 1.00 43.03 C ATOM 1968 CG2 VAL A 127 4.903 7.635 4.020 1.00 21.24 C ATOM 0 H VAL A 127 6.519 9.381 4.063 1.00 12.24 H new ATOM 0 HA VAL A 127 7.116 7.288 5.915 1.00 13.45 H new ATOM 0 HB VAL A 127 6.601 6.897 2.970 1.00 12.12 H new ATOM 0 HG11 VAL A 127 5.317 4.970 3.796 1.00 43.03 H new ATOM 0 HG12 VAL A 127 7.004 4.935 4.363 1.00 43.03 H new ATOM 0 HG13 VAL A 127 5.703 5.436 5.470 1.00 43.03 H new ATOM 0 HG21 VAL A 127 4.186 7.115 3.385 1.00 21.24 H new ATOM 0 HG22 VAL A 127 4.525 7.669 5.042 1.00 21.24 H new ATOM 0 HG23 VAL A 127 5.044 8.651 3.651 1.00 21.24 H new ATOM 1978 N ASP A 128 9.252 8.004 3.532 1.00 64.03 N ATOM 1979 CA ASP A 128 10.639 7.785 3.119 1.00 41.14 C ATOM 1980 C ASP A 128 11.563 7.922 4.322 1.00 40.33 C ATOM 1981 O ASP A 128 12.481 7.124 4.514 1.00 4.12 O ATOM 1982 CB ASP A 128 11.078 8.785 2.040 1.00 73.25 C ATOM 1983 CG ASP A 128 10.403 8.578 0.696 1.00 24.40 C ATOM 1984 OD1 ASP A 128 10.280 7.418 0.248 1.00 51.32 O ATOM 1985 OD2 ASP A 128 10.011 9.588 0.069 1.00 75.51 O ATOM 0 H ASP A 128 8.786 8.780 3.062 1.00 64.03 H new ATOM 0 HA ASP A 128 10.701 6.780 2.702 1.00 41.14 H new ATOM 0 HB2 ASP A 128 10.868 9.796 2.389 1.00 73.25 H new ATOM 0 HB3 ASP A 128 12.157 8.711 1.908 1.00 73.25 H new ATOM 1990 N MET A 129 11.302 8.940 5.136 1.00 43.31 N ATOM 1991 CA MET A 129 12.094 9.186 6.334 1.00 21.22 C ATOM 1992 C MET A 129 11.829 8.116 7.391 1.00 2.32 C ATOM 1993 O MET A 129 12.745 7.691 8.097 1.00 52.10 O ATOM 1994 CB MET A 129 11.788 10.576 6.904 1.00 1.41 C ATOM 1995 CG MET A 129 12.628 10.930 8.123 1.00 20.05 C ATOM 1996 SD MET A 129 12.258 12.572 8.778 1.00 43.04 S ATOM 1997 CE MET A 129 10.546 12.361 9.259 1.00 32.22 C ATOM 0 H MET A 129 10.546 9.609 4.987 1.00 43.31 H new ATOM 0 HA MET A 129 13.147 9.143 6.056 1.00 21.22 H new ATOM 0 HB2 MET A 129 11.955 11.323 6.128 1.00 1.41 H new ATOM 0 HB3 MET A 129 10.733 10.626 7.173 1.00 1.41 H new ATOM 0 HG2 MET A 129 12.459 10.187 8.902 1.00 20.05 H new ATOM 0 HG3 MET A 129 13.684 10.880 7.858 1.00 20.05 H new ATOM 0 HE1 MET A 129 10.274 13.129 9.983 1.00 32.22 H new ATOM 0 HE2 MET A 129 9.908 12.449 8.380 1.00 32.22 H new ATOM 0 HE3 MET A 129 10.413 11.376 9.707 1.00 32.22 H new ATOM 2007 N LYS A 130 10.575 7.675 7.490 1.00 43.02 N ATOM 2008 CA LYS A 130 10.201 6.649 8.459 1.00 12.35 C ATOM 2009 C LYS A 130 10.884 5.324 8.149 1.00 72.40 C ATOM 2010 O LYS A 130 11.192 4.551 9.058 1.00 71.43 O ATOM 2011 CB LYS A 130 8.685 6.457 8.511 1.00 31.22 C ATOM 2012 CG LYS A 130 7.947 7.649 9.091 1.00 25.43 C ATOM 2013 CD LYS A 130 6.492 7.320 9.377 1.00 45.43 C ATOM 2014 CE LYS A 130 5.759 8.523 9.943 1.00 74.24 C ATOM 2015 NZ LYS A 130 4.417 8.162 10.471 1.00 15.43 N ATOM 0 H LYS A 130 9.805 8.012 6.913 1.00 43.02 H new ATOM 0 HA LYS A 130 10.538 6.993 9.437 1.00 12.35 H new ATOM 0 HB2 LYS A 130 8.316 6.265 7.504 1.00 31.22 H new ATOM 0 HB3 LYS A 130 8.458 5.573 9.107 1.00 31.22 H new ATOM 0 HG2 LYS A 130 8.436 7.968 10.011 1.00 25.43 H new ATOM 0 HG3 LYS A 130 8.001 8.486 8.394 1.00 25.43 H new ATOM 0 HD2 LYS A 130 6.003 6.991 8.460 1.00 45.43 H new ATOM 0 HD3 LYS A 130 6.436 6.491 10.083 1.00 45.43 H new ATOM 0 HE2 LYS A 130 6.354 8.968 10.740 1.00 74.24 H new ATOM 0 HE3 LYS A 130 5.651 9.280 9.166 1.00 74.24 H new ATOM 0 HZ1 LYS A 130 3.749 8.937 10.281 1.00 15.43 H new ATOM 0 HZ2 LYS A 130 4.082 7.295 10.005 1.00 15.43 H new ATOM 0 HZ3 LYS A 130 4.479 8.002 11.497 1.00 15.43 H new ATOM 2029 N ALA A 131 11.125 5.067 6.868 1.00 30.35 N ATOM 2030 CA ALA A 131 11.849 3.872 6.457 1.00 25.02 C ATOM 2031 C ALA A 131 13.254 3.877 7.052 1.00 55.21 C ATOM 2032 O ALA A 131 13.760 2.847 7.486 1.00 65.34 O ATOM 2033 CB ALA A 131 11.910 3.782 4.938 1.00 32.40 C ATOM 0 H ALA A 131 10.830 5.669 6.099 1.00 30.35 H new ATOM 0 HA ALA A 131 11.318 2.996 6.830 1.00 25.02 H new ATOM 0 HB1 ALA A 131 12.454 2.883 4.648 1.00 32.40 H new ATOM 0 HB2 ALA A 131 10.898 3.739 4.535 1.00 32.40 H new ATOM 0 HB3 ALA A 131 12.421 4.659 4.542 1.00 32.40 H new ATOM 2039 N LYS A 132 13.857 5.057 7.099 1.00 71.43 N ATOM 2040 CA LYS A 132 15.192 5.222 7.657 1.00 12.44 C ATOM 2041 C LYS A 132 15.189 4.926 9.156 1.00 63.50 C ATOM 2042 O LYS A 132 16.024 4.170 9.654 1.00 31.30 O ATOM 2043 CB LYS A 132 15.687 6.646 7.402 1.00 44.34 C ATOM 2044 CG LYS A 132 15.711 7.029 5.930 1.00 4.10 C ATOM 2045 CD LYS A 132 16.798 6.283 5.174 1.00 11.22 C ATOM 2046 CE LYS A 132 18.184 6.737 5.605 1.00 52.01 C ATOM 2047 NZ LYS A 132 18.434 8.160 5.257 1.00 64.42 N ATOM 0 H LYS A 132 13.438 5.921 6.754 1.00 71.43 H new ATOM 0 HA LYS A 132 15.865 4.516 7.170 1.00 12.44 H new ATOM 0 HB2 LYS A 132 15.048 7.346 7.940 1.00 44.34 H new ATOM 0 HB3 LYS A 132 16.691 6.751 7.812 1.00 44.34 H new ATOM 0 HG2 LYS A 132 14.741 6.812 5.482 1.00 4.10 H new ATOM 0 HG3 LYS A 132 15.873 8.103 5.836 1.00 4.10 H new ATOM 0 HD2 LYS A 132 16.694 5.212 5.347 1.00 11.22 H new ATOM 0 HD3 LYS A 132 16.676 6.446 4.103 1.00 11.22 H new ATOM 0 HE2 LYS A 132 18.292 6.602 6.681 1.00 52.01 H new ATOM 0 HE3 LYS A 132 18.936 6.109 5.128 1.00 52.01 H new ATOM 0 HZ1 LYS A 132 19.422 8.402 5.474 1.00 64.42 H new ATOM 0 HZ2 LYS A 132 18.257 8.306 4.243 1.00 64.42 H new ATOM 0 HZ3 LYS A 132 17.798 8.770 5.810 1.00 64.42 H new ATOM 2061 N SER A 133 14.234 5.512 9.866 1.00 5.41 N ATOM 2062 CA SER A 133 14.112 5.311 11.303 1.00 2.42 C ATOM 2063 C SER A 133 13.773 3.856 11.631 1.00 63.24 C ATOM 2064 O SER A 133 14.137 3.353 12.694 1.00 14.03 O ATOM 2065 CB SER A 133 13.065 6.264 11.880 1.00 33.23 C ATOM 2066 OG SER A 133 11.944 6.368 11.022 1.00 65.41 O ATOM 0 H SER A 133 13.530 6.133 9.468 1.00 5.41 H new ATOM 0 HA SER A 133 15.074 5.533 11.765 1.00 2.42 H new ATOM 0 HB2 SER A 133 12.746 5.909 12.860 1.00 33.23 H new ATOM 0 HB3 SER A 133 13.507 7.249 12.027 1.00 33.23 H new ATOM 0 HG SER A 133 11.833 5.530 10.526 1.00 65.41 H new ATOM 2072 N ALA A 134 13.082 3.188 10.709 1.00 13.33 N ATOM 2073 CA ALA A 134 12.695 1.792 10.894 1.00 73.10 C ATOM 2074 C ALA A 134 13.911 0.864 10.928 1.00 33.45 C ATOM 2075 O ALA A 134 13.846 -0.228 11.488 1.00 34.12 O ATOM 2076 CB ALA A 134 11.732 1.361 9.797 1.00 43.30 C ATOM 0 H ALA A 134 12.778 3.593 9.824 1.00 13.33 H new ATOM 0 HA ALA A 134 12.195 1.715 11.860 1.00 73.10 H new ATOM 0 HB1 ALA A 134 11.452 0.318 9.948 1.00 43.30 H new ATOM 0 HB2 ALA A 134 10.839 1.985 9.831 1.00 43.30 H new ATOM 0 HB3 ALA A 134 12.214 1.470 8.826 1.00 43.30 H new ATOM 2082 N LEU A 135 15.018 1.304 10.337 1.00 41.31 N ATOM 2083 CA LEU A 135 16.250 0.522 10.347 1.00 11.45 C ATOM 2084 C LEU A 135 17.090 0.883 11.561 1.00 32.33 C ATOM 2085 O LEU A 135 18.165 0.324 11.783 1.00 44.41 O ATOM 2086 CB LEU A 135 17.058 0.738 9.059 1.00 70.01 C ATOM 2087 CG LEU A 135 16.683 -0.170 7.881 1.00 14.11 C ATOM 2088 CD1 LEU A 135 16.733 -1.629 8.303 1.00 34.22 C ATOM 2089 CD2 LEU A 135 15.311 0.179 7.323 1.00 74.12 C ATOM 0 H LEU A 135 15.087 2.196 9.846 1.00 41.31 H new ATOM 0 HA LEU A 135 15.979 -0.532 10.401 1.00 11.45 H new ATOM 0 HB2 LEU A 135 16.939 1.776 8.747 1.00 70.01 H new ATOM 0 HB3 LEU A 135 18.114 0.592 9.285 1.00 70.01 H new ATOM 0 HG LEU A 135 17.413 -0.008 7.088 1.00 14.11 H new ATOM 0 HD11 LEU A 135 16.465 -2.262 7.457 1.00 34.22 H new ATOM 0 HD12 LEU A 135 17.741 -1.877 8.636 1.00 34.22 H new ATOM 0 HD13 LEU A 135 16.030 -1.796 9.119 1.00 34.22 H new ATOM 0 HD21 LEU A 135 15.078 -0.484 6.490 1.00 74.12 H new ATOM 0 HD22 LEU A 135 14.560 0.059 8.103 1.00 74.12 H new ATOM 0 HD23 LEU A 135 15.312 1.212 6.975 1.00 74.12 H new ATOM 2101 N GLY A 136 16.590 1.827 12.345 1.00 73.40 N ATOM 2102 CA GLY A 136 17.257 2.199 13.568 1.00 61.23 C ATOM 2103 C GLY A 136 18.316 3.262 13.367 1.00 2.42 C ATOM 2104 O GLY A 136 19.236 3.380 14.173 1.00 12.34 O ATOM 0 H GLY A 136 15.731 2.342 12.152 1.00 73.40 H new ATOM 0 HA2 GLY A 136 16.518 2.562 14.282 1.00 61.23 H new ATOM 0 HA3 GLY A 136 17.718 1.314 14.007 1.00 61.23 H new ATOM 2108 N ILE A 137 18.194 4.035 12.295 1.00 43.03 N ATOM 2109 CA ILE A 137 19.117 5.135 12.054 1.00 32.35 C ATOM 2110 C ILE A 137 18.927 6.210 13.119 1.00 11.51 C ATOM 2111 O ILE A 137 17.865 6.829 13.199 1.00 15.51 O ATOM 2112 CB ILE A 137 18.927 5.755 10.651 1.00 31.31 C ATOM 2113 CG1 ILE A 137 19.156 4.701 9.563 1.00 51.31 C ATOM 2114 CG2 ILE A 137 19.871 6.935 10.456 1.00 45.12 C ATOM 2115 CD1 ILE A 137 20.538 4.077 9.596 1.00 64.14 C ATOM 0 H ILE A 137 17.471 3.922 11.584 1.00 43.03 H new ATOM 0 HA ILE A 137 20.129 4.733 12.104 1.00 32.35 H new ATOM 0 HB ILE A 137 17.902 6.117 10.571 1.00 31.31 H new ATOM 0 HG12 ILE A 137 18.410 3.914 9.670 1.00 51.31 H new ATOM 0 HG13 ILE A 137 18.998 5.160 8.587 1.00 51.31 H new ATOM 0 HG21 ILE A 137 19.723 7.359 9.463 1.00 45.12 H new ATOM 0 HG22 ILE A 137 19.664 7.695 11.209 1.00 45.12 H new ATOM 0 HG23 ILE A 137 20.902 6.596 10.556 1.00 45.12 H new ATOM 0 HD11 ILE A 137 20.624 3.341 8.796 1.00 64.14 H new ATOM 0 HD12 ILE A 137 21.291 4.853 9.458 1.00 64.14 H new ATOM 0 HD13 ILE A 137 20.693 3.588 10.558 1.00 64.14 H new