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 126 TYR OH : rot 162:sc= 1.04 USER MOD Set 1.2: A 130 LYS NZ :NH3+ 157:sc= 2.43 (180deg=0.253) USER MOD Set 2.1: A 71 LYS NZ :NH3+ 180:sc= 1.04 (180deg=0) USER MOD Set 2.2: A 111 SER OG : rot -77:sc= 0.896 USER MOD Set 3.1: A 64 LYS NZ :NH3+ 156:sc= 0.307 (180deg=0) USER MOD Set 3.2: A 67 GLN : amide:sc= -0.239 K(o=0.069,f=-3.8) USER MOD Single : A 5 THR OG1 : rot 180:sc=-0.00223 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 114:sc= 0.297 USER MOD Single : A 11 THR OG1 : rot -100:sc= 0.142 USER MOD Single : A 14 SER OG : rot -0:sc= 1.12 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -3.05! K(o=-3.1!,f=-1.2) USER MOD Single : A 19 GLN : amide:sc= -0.093 X(o=-0.093,f=-0.035) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 60:sc= -1.17 USER MOD Single : A 28 LYS NZ :NH3+ 150:sc= 0.643 (180deg=-2.07!) USER MOD Single : A 31 LYS NZ :NH3+ 159:sc= -0.0604 (180deg=-0.381) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -171:sc= 0.308 (180deg=0.162) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot -88:sc= 0.376 USER MOD Single : A 48 MET CE :methyl -133:sc= -0.204 (180deg=-0.878) USER MOD Single : A 50 ASN : amide:sc= -0.286 K(o=-0.29,f=-3.7!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -166:sc= -0.0125 (180deg=-0.195) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ -157:sc= 1.11 (180deg=0.0753) USER MOD Single : A 118 HIS : no HD1:sc= -0.111 X(o=-0.11,f=-0.061) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 121 ASN : amide:sc= -0.277! C(o=-0.28!,f=-4.6!) USER MOD Single : A 124 ASN : amide:sc= -1.42! K(o=-1.4!,f=-0.88) USER MOD Single : A 129 MET CE :methyl 133:sc= -0.103 (180deg=-0.563) USER MOD Single : A 132 LYS NZ :NH3+ -159:sc= -0.0823 (180deg=-0.482) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N ASP A 3 -14.269 15.279 -2.587 1.00 61.52 N ATOM 33 CA ASP A 3 -13.331 14.170 -2.692 1.00 15.21 C ATOM 34 C ASP A 3 -13.923 13.009 -3.479 1.00 72.41 C ATOM 35 O ASP A 3 -14.354 12.002 -2.913 1.00 32.05 O ATOM 36 CB ASP A 3 -12.904 13.719 -1.288 1.00 2.44 C ATOM 37 CG ASP A 3 -12.577 14.895 -0.377 1.00 60.52 C ATOM 38 OD1 ASP A 3 -11.589 15.615 -0.639 1.00 12.33 O ATOM 39 OD2 ASP A 3 -13.339 15.130 0.591 1.00 44.24 O ATOM 0 HA ASP A 3 -12.453 14.513 -3.239 1.00 15.21 H new ATOM 0 HB2 ASP A 3 -13.702 13.127 -0.841 1.00 2.44 H new ATOM 0 HB3 ASP A 3 -12.032 13.070 -1.367 1.00 2.44 H new ATOM 44 N ARG A 4 -13.970 13.176 -4.794 1.00 53.43 N ATOM 45 CA ARG A 4 -14.510 12.161 -5.689 1.00 31.52 C ATOM 46 C ARG A 4 -13.625 12.026 -6.923 1.00 45.21 C ATOM 47 O ARG A 4 -13.916 11.235 -7.823 1.00 14.31 O ATOM 48 CB ARG A 4 -15.923 12.543 -6.148 1.00 2.03 C ATOM 49 CG ARG A 4 -16.829 13.089 -5.057 1.00 70.25 C ATOM 50 CD ARG A 4 -18.209 13.415 -5.601 1.00 33.03 C ATOM 51 NE ARG A 4 -18.946 14.303 -4.708 1.00 23.01 N ATOM 52 CZ ARG A 4 -20.195 14.095 -4.303 1.00 20.11 C ATOM 53 NH1 ARG A 4 -20.854 13.016 -4.702 1.00 43.22 N ATOM 54 NH2 ARG A 4 -20.784 14.973 -3.503 1.00 61.13 N ATOM 0 H ARG A 4 -13.637 14.015 -5.269 1.00 53.43 H new ATOM 0 HA ARG A 4 -14.543 11.217 -5.145 1.00 31.52 H new ATOM 0 HB2 ARG A 4 -15.842 13.289 -6.939 1.00 2.03 H new ATOM 0 HB3 ARG A 4 -16.396 11.664 -6.586 1.00 2.03 H new ATOM 0 HG2 ARG A 4 -16.916 12.358 -4.253 1.00 70.25 H new ATOM 0 HG3 ARG A 4 -16.384 13.986 -4.626 1.00 70.25 H new ATOM 0 HD2 ARG A 4 -18.113 13.883 -6.581 1.00 33.03 H new ATOM 0 HD3 ARG A 4 -18.772 12.492 -5.742 1.00 33.03 H new ATOM 0 HE ARG A 4 -18.470 15.140 -4.372 1.00 23.01 H new ATOM 0 HH11 ARG A 4 -20.403 12.343 -5.321 1.00 43.22 H new ATOM 0 HH12 ARG A 4 -21.812 12.859 -4.390 1.00 43.22 H new ATOM 0 HH21 ARG A 4 -20.279 15.806 -3.200 1.00 61.13 H new ATOM 0 HH22 ARG A 4 -21.742 14.816 -3.191 1.00 61.13 H new ATOM 68 N THR A 5 -12.537 12.781 -6.958 1.00 53.12 N ATOM 69 CA THR A 5 -11.747 12.907 -8.172 1.00 54.23 C ATOM 70 C THR A 5 -10.438 12.130 -8.091 1.00 52.54 C ATOM 71 O THR A 5 -9.461 12.617 -7.533 1.00 24.30 O ATOM 72 CB THR A 5 -11.461 14.393 -8.518 1.00 15.45 C ATOM 73 OG1 THR A 5 -10.404 14.492 -9.488 1.00 24.52 O ATOM 74 CG2 THR A 5 -11.099 15.197 -7.275 1.00 71.24 C ATOM 0 H THR A 5 -12.183 13.313 -6.163 1.00 53.12 H new ATOM 0 HA THR A 5 -12.347 12.473 -8.972 1.00 54.23 H new ATOM 0 HB THR A 5 -12.375 14.811 -8.940 1.00 15.45 H new ATOM 0 HG1 THR A 5 -10.238 15.435 -9.696 1.00 24.52 H new ATOM 0 HG21 THR A 5 -10.905 16.232 -7.555 1.00 71.24 H new ATOM 0 HG22 THR A 5 -11.926 15.162 -6.565 1.00 71.24 H new ATOM 0 HG23 THR A 5 -10.207 14.773 -6.814 1.00 71.24 H new ATOM 82 N GLU A 6 -10.463 10.908 -8.648 1.00 11.31 N ATOM 83 CA GLU A 6 -9.274 10.054 -8.846 1.00 34.13 C ATOM 84 C GLU A 6 -8.339 10.019 -7.633 1.00 21.53 C ATOM 85 O GLU A 6 -7.543 10.933 -7.405 1.00 24.51 O ATOM 86 CB GLU A 6 -8.497 10.450 -10.118 1.00 61.50 C ATOM 87 CG GLU A 6 -7.984 11.885 -10.137 1.00 5.12 C ATOM 88 CD GLU A 6 -7.196 12.215 -11.385 1.00 43.11 C ATOM 89 OE1 GLU A 6 -7.817 12.602 -12.395 1.00 43.40 O ATOM 90 OE2 GLU A 6 -5.949 12.105 -11.357 1.00 62.50 O ATOM 0 H GLU A 6 -11.325 10.475 -8.980 1.00 11.31 H new ATOM 0 HA GLU A 6 -9.659 9.042 -8.972 1.00 34.13 H new ATOM 0 HB2 GLU A 6 -7.649 9.775 -10.233 1.00 61.50 H new ATOM 0 HB3 GLU A 6 -9.144 10.299 -10.983 1.00 61.50 H new ATOM 0 HG2 GLU A 6 -8.829 12.568 -10.057 1.00 5.12 H new ATOM 0 HG3 GLU A 6 -7.355 12.052 -9.262 1.00 5.12 H new ATOM 97 N TYR A 7 -8.413 8.948 -6.862 1.00 61.54 N ATOM 98 CA TYR A 7 -7.548 8.823 -5.705 1.00 65.14 C ATOM 99 C TYR A 7 -6.128 8.528 -6.170 1.00 72.20 C ATOM 100 O TYR A 7 -5.889 7.569 -6.902 1.00 22.03 O ATOM 101 CB TYR A 7 -8.047 7.715 -4.779 1.00 50.00 C ATOM 102 CG TYR A 7 -9.517 7.827 -4.426 1.00 35.04 C ATOM 103 CD1 TYR A 7 -10.060 9.032 -4.003 1.00 30.24 C ATOM 104 CD2 TYR A 7 -10.360 6.728 -4.524 1.00 13.34 C ATOM 105 CE1 TYR A 7 -11.398 9.139 -3.684 1.00 40.21 C ATOM 106 CE2 TYR A 7 -11.702 6.827 -4.206 1.00 1.04 C ATOM 107 CZ TYR A 7 -12.214 8.035 -3.785 1.00 40.10 C ATOM 108 OH TYR A 7 -13.547 8.142 -3.464 1.00 41.02 O ATOM 0 H TYR A 7 -9.051 8.166 -7.013 1.00 61.54 H new ATOM 0 HA TYR A 7 -7.558 9.759 -5.146 1.00 65.14 H new ATOM 0 HB2 TYR A 7 -7.870 6.750 -5.254 1.00 50.00 H new ATOM 0 HB3 TYR A 7 -7.460 7.731 -3.860 1.00 50.00 H new ATOM 0 HD1 TYR A 7 -9.424 9.901 -3.922 1.00 30.24 H new ATOM 0 HD2 TYR A 7 -9.961 5.780 -4.854 1.00 13.34 H new ATOM 0 HE1 TYR A 7 -11.803 10.085 -3.356 1.00 40.21 H new ATOM 0 HE2 TYR A 7 -12.345 5.963 -4.287 1.00 1.04 H new ATOM 0 HH TYR A 7 -13.984 7.274 -3.590 1.00 41.02 H new ATOM 118 N ASP A 8 -5.186 9.343 -5.727 1.00 52.02 N ATOM 119 CA ASP A 8 -3.816 9.238 -6.199 1.00 3.02 C ATOM 120 C ASP A 8 -2.914 8.766 -5.070 1.00 35.31 C ATOM 121 O ASP A 8 -2.422 9.568 -4.284 1.00 53.54 O ATOM 122 CB ASP A 8 -3.348 10.591 -6.742 1.00 54.41 C ATOM 123 CG ASP A 8 -2.134 10.485 -7.645 1.00 3.54 C ATOM 124 OD1 ASP A 8 -2.223 9.800 -8.687 1.00 44.23 O ATOM 125 OD2 ASP A 8 -1.096 11.105 -7.339 1.00 54.01 O ATOM 0 H ASP A 8 -5.344 10.083 -5.043 1.00 52.02 H new ATOM 0 HA ASP A 8 -3.766 8.507 -7.006 1.00 3.02 H new ATOM 0 HB2 ASP A 8 -4.165 11.055 -7.295 1.00 54.41 H new ATOM 0 HB3 ASP A 8 -3.114 11.250 -5.906 1.00 54.41 H new ATOM 130 N VAL A 9 -2.745 7.457 -4.974 1.00 34.34 N ATOM 131 CA VAL A 9 -1.978 6.848 -3.894 1.00 1.13 C ATOM 132 C VAL A 9 -0.572 6.504 -4.378 1.00 54.30 C ATOM 133 O VAL A 9 -0.406 5.681 -5.275 1.00 41.00 O ATOM 134 CB VAL A 9 -2.677 5.569 -3.390 1.00 60.14 C ATOM 135 CG1 VAL A 9 -1.949 4.986 -2.190 1.00 1.24 C ATOM 136 CG2 VAL A 9 -4.135 5.850 -3.050 1.00 62.54 C ATOM 0 H VAL A 9 -3.133 6.787 -5.638 1.00 34.34 H new ATOM 0 HA VAL A 9 -1.913 7.563 -3.074 1.00 1.13 H new ATOM 0 HB VAL A 9 -2.648 4.832 -4.192 1.00 60.14 H new ATOM 0 HG11 VAL A 9 -2.463 4.085 -1.855 1.00 1.24 H new ATOM 0 HG12 VAL A 9 -0.926 4.737 -2.471 1.00 1.24 H new ATOM 0 HG13 VAL A 9 -1.935 5.718 -1.382 1.00 1.24 H new ATOM 0 HG21 VAL A 9 -4.609 4.934 -2.697 1.00 62.54 H new ATOM 0 HG22 VAL A 9 -4.187 6.610 -2.270 1.00 62.54 H new ATOM 0 HG23 VAL A 9 -4.654 6.207 -3.940 1.00 62.54 H new ATOM 146 N TYR A 10 0.436 7.143 -3.799 1.00 61.14 N ATOM 147 CA TYR A 10 1.811 6.928 -4.232 1.00 12.44 C ATOM 148 C TYR A 10 2.789 7.035 -3.064 1.00 32.15 C ATOM 149 O TYR A 10 2.659 7.909 -2.207 1.00 14.23 O ATOM 150 CB TYR A 10 2.189 7.927 -5.339 1.00 33.30 C ATOM 151 CG TYR A 10 2.002 9.386 -4.960 1.00 70.01 C ATOM 152 CD1 TYR A 10 0.735 9.953 -4.916 1.00 14.51 C ATOM 153 CD2 TYR A 10 3.091 10.198 -4.659 1.00 74.21 C ATOM 154 CE1 TYR A 10 0.556 11.279 -4.583 1.00 55.55 C ATOM 155 CE2 TYR A 10 2.917 11.527 -4.323 1.00 0.21 C ATOM 156 CZ TYR A 10 1.649 12.061 -4.287 1.00 13.31 C ATOM 157 OH TYR A 10 1.470 13.384 -3.963 1.00 11.12 O ATOM 0 H TYR A 10 0.330 7.809 -3.034 1.00 61.14 H new ATOM 0 HA TYR A 10 1.878 5.916 -4.632 1.00 12.44 H new ATOM 0 HB2 TYR A 10 3.231 7.767 -5.615 1.00 33.30 H new ATOM 0 HB3 TYR A 10 1.589 7.714 -6.224 1.00 33.30 H new ATOM 0 HD1 TYR A 10 -0.126 9.344 -5.147 1.00 14.51 H new ATOM 0 HD2 TYR A 10 4.088 9.783 -4.688 1.00 74.21 H new ATOM 0 HE1 TYR A 10 -0.437 11.702 -4.555 1.00 55.55 H new ATOM 0 HE2 TYR A 10 3.772 12.144 -4.090 1.00 0.21 H new ATOM 0 HH TYR A 10 1.723 13.529 -3.028 1.00 11.12 H new ATOM 167 N THR A 11 3.751 6.120 -3.032 1.00 53.33 N ATOM 168 CA THR A 11 4.825 6.135 -2.047 1.00 25.41 C ATOM 169 C THR A 11 6.026 5.368 -2.602 1.00 1.10 C ATOM 170 O THR A 11 5.857 4.350 -3.277 1.00 21.13 O ATOM 171 CB THR A 11 4.385 5.499 -0.705 1.00 41.31 C ATOM 172 OG1 THR A 11 3.170 6.103 -0.234 1.00 23.32 O ATOM 173 CG2 THR A 11 5.464 5.660 0.356 1.00 3.40 C ATOM 0 H THR A 11 3.808 5.344 -3.691 1.00 53.33 H new ATOM 0 HA THR A 11 5.091 7.174 -1.853 1.00 25.41 H new ATOM 0 HB THR A 11 4.218 4.437 -0.885 1.00 41.31 H new ATOM 0 HG1 THR A 11 3.380 6.765 0.457 1.00 23.32 H new ATOM 0 HG21 THR A 11 5.129 5.205 1.288 1.00 3.40 H new ATOM 0 HG22 THR A 11 6.379 5.171 0.022 1.00 3.40 H new ATOM 0 HG23 THR A 11 5.658 6.720 0.520 1.00 3.40 H new ATOM 181 N ASP A 12 7.230 5.869 -2.347 1.00 72.20 N ATOM 182 CA ASP A 12 8.446 5.223 -2.832 1.00 71.13 C ATOM 183 C ASP A 12 9.015 4.291 -1.771 1.00 4.14 C ATOM 184 O ASP A 12 8.923 4.571 -0.575 1.00 0.22 O ATOM 185 CB ASP A 12 9.498 6.269 -3.219 1.00 15.13 C ATOM 186 CG ASP A 12 10.762 5.643 -3.789 1.00 64.20 C ATOM 187 OD1 ASP A 12 10.792 5.356 -5.009 1.00 44.14 O ATOM 188 OD2 ASP A 12 11.728 5.433 -3.023 1.00 3.33 O ATOM 0 H ASP A 12 7.391 6.720 -1.808 1.00 72.20 H new ATOM 0 HA ASP A 12 8.188 4.640 -3.716 1.00 71.13 H new ATOM 0 HB2 ASP A 12 9.072 6.953 -3.953 1.00 15.13 H new ATOM 0 HB3 ASP A 12 9.755 6.863 -2.342 1.00 15.13 H new ATOM 193 N GLY A 13 9.584 3.178 -2.208 1.00 63.11 N ATOM 194 CA GLY A 13 10.214 2.253 -1.286 1.00 34.11 C ATOM 195 C GLY A 13 11.651 2.639 -0.999 1.00 42.15 C ATOM 196 O GLY A 13 12.581 1.922 -1.373 1.00 3.43 O ATOM 0 H GLY A 13 9.621 2.897 -3.188 1.00 63.11 H new ATOM 0 HA2 GLY A 13 9.651 2.229 -0.353 1.00 34.11 H new ATOM 0 HA3 GLY A 13 10.184 1.246 -1.703 1.00 34.11 H new ATOM 200 N SER A 14 11.829 3.777 -0.342 1.00 42.15 N ATOM 201 CA SER A 14 13.154 4.306 -0.057 1.00 10.34 C ATOM 202 C SER A 14 13.878 3.479 1.005 1.00 32.23 C ATOM 203 O SER A 14 13.251 2.840 1.850 1.00 14.42 O ATOM 204 CB SER A 14 13.044 5.761 0.397 1.00 71.35 C ATOM 205 OG SER A 14 12.481 6.579 -0.619 1.00 64.43 O ATOM 0 H SER A 14 11.064 4.355 0.006 1.00 42.15 H new ATOM 0 HA SER A 14 13.740 4.251 -0.974 1.00 10.34 H new ATOM 0 HB2 SER A 14 12.429 5.818 1.295 1.00 71.35 H new ATOM 0 HB3 SER A 14 14.032 6.137 0.663 1.00 71.35 H new ATOM 0 HG SER A 14 12.285 6.032 -1.408 1.00 64.43 H new ATOM 211 N TYR A 15 15.202 3.496 0.942 1.00 3.24 N ATOM 212 CA TYR A 15 16.031 2.799 1.912 1.00 72.25 C ATOM 213 C TYR A 15 17.119 3.745 2.410 1.00 13.23 C ATOM 214 O TYR A 15 17.287 4.838 1.864 1.00 25.31 O ATOM 215 CB TYR A 15 16.661 1.549 1.279 1.00 15.40 C ATOM 216 CG TYR A 15 17.857 1.837 0.400 1.00 25.21 C ATOM 217 CD1 TYR A 15 17.707 2.404 -0.860 1.00 1.12 C ATOM 218 CD2 TYR A 15 19.140 1.542 0.838 1.00 64.04 C ATOM 219 CE1 TYR A 15 18.804 2.669 -1.656 1.00 24.24 C ATOM 220 CE2 TYR A 15 20.241 1.804 0.049 1.00 42.15 C ATOM 221 CZ TYR A 15 20.068 2.367 -1.196 1.00 62.12 C ATOM 222 OH TYR A 15 21.166 2.632 -1.982 1.00 52.44 O ATOM 0 H TYR A 15 15.728 3.990 0.221 1.00 3.24 H new ATOM 0 HA TYR A 15 15.414 2.480 2.752 1.00 72.25 H new ATOM 0 HB2 TYR A 15 16.963 0.866 2.073 1.00 15.40 H new ATOM 0 HB3 TYR A 15 15.904 1.034 0.687 1.00 15.40 H new ATOM 0 HD1 TYR A 15 16.718 2.641 -1.222 1.00 1.12 H new ATOM 0 HD2 TYR A 15 19.279 1.100 1.813 1.00 64.04 H new ATOM 0 HE1 TYR A 15 18.672 3.110 -2.633 1.00 24.24 H new ATOM 0 HE2 TYR A 15 21.233 1.569 0.406 1.00 42.15 H new ATOM 0 HH TYR A 15 21.980 2.360 -1.509 1.00 52.44 H new ATOM 232 N VAL A 16 17.858 3.336 3.433 1.00 61.12 N ATOM 233 CA VAL A 16 18.943 4.151 3.954 1.00 72.21 C ATOM 234 C VAL A 16 19.989 3.275 4.648 1.00 21.31 C ATOM 235 O VAL A 16 19.646 2.355 5.392 1.00 45.24 O ATOM 236 CB VAL A 16 18.412 5.243 4.915 1.00 15.11 C ATOM 237 CG1 VAL A 16 17.747 4.633 6.138 1.00 10.53 C ATOM 238 CG2 VAL A 16 19.523 6.199 5.317 1.00 14.21 C ATOM 0 H VAL A 16 17.725 2.447 3.916 1.00 61.12 H new ATOM 0 HA VAL A 16 19.420 4.654 3.113 1.00 72.21 H new ATOM 0 HB VAL A 16 17.653 5.813 4.380 1.00 15.11 H new ATOM 0 HG11 VAL A 16 17.386 5.428 6.791 1.00 10.53 H new ATOM 0 HG12 VAL A 16 16.908 4.012 5.824 1.00 10.53 H new ATOM 0 HG13 VAL A 16 18.469 4.021 6.678 1.00 10.53 H new ATOM 0 HG21 VAL A 16 19.125 6.957 5.992 1.00 14.21 H new ATOM 0 HG22 VAL A 16 20.315 5.645 5.820 1.00 14.21 H new ATOM 0 HG23 VAL A 16 19.927 6.682 4.427 1.00 14.21 H new ATOM 248 N ASN A 17 21.262 3.541 4.353 1.00 20.31 N ATOM 249 CA ASN A 17 22.390 2.794 4.931 1.00 42.41 C ATOM 250 C ASN A 17 22.356 1.331 4.506 1.00 43.51 C ATOM 251 O ASN A 17 22.861 0.458 5.214 1.00 41.13 O ATOM 252 CB ASN A 17 22.388 2.870 6.465 1.00 71.04 C ATOM 253 CG ASN A 17 22.838 4.213 6.997 1.00 0.33 C ATOM 254 OD1 ASN A 17 24.030 4.443 7.195 1.00 61.34 O ATOM 255 ND2 ASN A 17 21.890 5.101 7.247 1.00 62.41 N ATOM 0 H ASN A 17 21.545 4.279 3.708 1.00 20.31 H new ATOM 0 HA ASN A 17 23.301 3.258 4.554 1.00 42.41 H new ATOM 0 HB2 ASN A 17 21.383 2.660 6.831 1.00 71.04 H new ATOM 0 HB3 ASN A 17 23.041 2.092 6.861 1.00 71.04 H new ATOM 0 HD21 ASN A 17 22.136 6.018 7.619 1.00 62.41 H new ATOM 0 HD22 ASN A 17 20.913 4.868 7.068 1.00 62.41 H new ATOM 262 N GLY A 18 21.780 1.067 3.339 1.00 71.35 N ATOM 263 CA GLY A 18 21.665 -0.301 2.863 1.00 73.32 C ATOM 264 C GLY A 18 20.603 -1.079 3.615 1.00 34.30 C ATOM 265 O GLY A 18 20.477 -2.290 3.461 1.00 30.11 O ATOM 0 H GLY A 18 21.391 1.773 2.714 1.00 71.35 H new ATOM 0 HA2 GLY A 18 21.425 -0.295 1.800 1.00 73.32 H new ATOM 0 HA3 GLY A 18 22.626 -0.804 2.970 1.00 73.32 H new ATOM 269 N GLN A 19 19.842 -0.378 4.438 1.00 71.12 N ATOM 270 CA GLN A 19 18.769 -0.987 5.202 1.00 72.54 C ATOM 271 C GLN A 19 17.433 -0.432 4.733 1.00 61.01 C ATOM 272 O GLN A 19 17.344 0.732 4.341 1.00 25.10 O ATOM 273 CB GLN A 19 18.964 -0.714 6.696 1.00 34.11 C ATOM 274 CG GLN A 19 20.202 -1.374 7.283 1.00 24.55 C ATOM 275 CD GLN A 19 20.066 -2.880 7.384 1.00 35.43 C ATOM 276 OE1 GLN A 19 19.618 -3.406 8.405 1.00 70.42 O ATOM 277 NE2 GLN A 19 20.439 -3.583 6.329 1.00 31.24 N ATOM 0 H GLN A 19 19.950 0.624 4.594 1.00 71.12 H new ATOM 0 HA GLN A 19 18.782 -2.065 5.044 1.00 72.54 H new ATOM 0 HB2 GLN A 19 19.028 0.363 6.854 1.00 34.11 H new ATOM 0 HB3 GLN A 19 18.085 -1.064 7.238 1.00 34.11 H new ATOM 0 HG2 GLN A 19 21.066 -1.131 6.665 1.00 24.55 H new ATOM 0 HG3 GLN A 19 20.393 -0.963 8.274 1.00 24.55 H new ATOM 0 HE21 GLN A 19 20.805 -3.109 5.503 1.00 31.24 H new ATOM 0 HE22 GLN A 19 20.361 -4.600 6.340 1.00 31.24 H new ATOM 286 N TYR A 20 16.404 -1.260 4.764 1.00 20.12 N ATOM 287 CA TYR A 20 15.096 -0.849 4.287 1.00 4.31 C ATOM 288 C TYR A 20 13.990 -1.340 5.207 1.00 12.25 C ATOM 289 O TYR A 20 14.137 -2.350 5.898 1.00 3.32 O ATOM 290 CB TYR A 20 14.864 -1.339 2.849 1.00 24.44 C ATOM 291 CG TYR A 20 15.250 -2.786 2.598 1.00 43.42 C ATOM 292 CD1 TYR A 20 14.402 -3.834 2.943 1.00 4.23 C ATOM 293 CD2 TYR A 20 16.464 -3.101 1.998 1.00 21.42 C ATOM 294 CE1 TYR A 20 14.753 -5.150 2.696 1.00 4.24 C ATOM 295 CE2 TYR A 20 16.822 -4.413 1.752 1.00 12.34 C ATOM 296 CZ TYR A 20 15.965 -5.433 2.101 1.00 40.23 C ATOM 297 OH TYR A 20 16.318 -6.739 1.848 1.00 53.22 O ATOM 0 H TYR A 20 16.448 -2.217 5.113 1.00 20.12 H new ATOM 0 HA TYR A 20 15.070 0.241 4.289 1.00 4.31 H new ATOM 0 HB2 TYR A 20 13.810 -1.211 2.602 1.00 24.44 H new ATOM 0 HB3 TYR A 20 15.430 -0.703 2.168 1.00 24.44 H new ATOM 0 HD1 TYR A 20 13.454 -3.617 3.412 1.00 4.23 H new ATOM 0 HD2 TYR A 20 17.140 -2.306 1.719 1.00 21.42 H new ATOM 0 HE1 TYR A 20 14.081 -5.951 2.968 1.00 4.24 H new ATOM 0 HE2 TYR A 20 17.771 -4.638 1.288 1.00 12.34 H new ATOM 0 HH TYR A 20 17.202 -6.763 1.425 1.00 53.22 H new ATOM 307 N ALA A 21 12.897 -0.601 5.212 1.00 61.50 N ATOM 308 CA ALA A 21 11.724 -0.935 5.996 1.00 22.52 C ATOM 309 C ALA A 21 10.483 -0.617 5.177 1.00 51.33 C ATOM 310 O ALA A 21 10.585 0.053 4.150 1.00 54.30 O ATOM 311 CB ALA A 21 11.726 -0.154 7.298 1.00 11.45 C ATOM 0 H ALA A 21 12.798 0.256 4.667 1.00 61.50 H new ATOM 0 HA ALA A 21 11.730 -1.997 6.243 1.00 22.52 H new ATOM 0 HB1 ALA A 21 10.841 -0.413 7.879 1.00 11.45 H new ATOM 0 HB2 ALA A 21 12.620 -0.402 7.870 1.00 11.45 H new ATOM 0 HB3 ALA A 21 11.719 0.914 7.082 1.00 11.45 H new ATOM 317 N TRP A 22 9.320 -1.082 5.607 1.00 64.01 N ATOM 318 CA TRP A 22 8.108 -0.827 4.849 1.00 10.44 C ATOM 319 C TRP A 22 7.362 0.374 5.419 1.00 73.41 C ATOM 320 O TRP A 22 7.149 0.480 6.630 1.00 62.41 O ATOM 321 CB TRP A 22 7.200 -2.071 4.783 1.00 23.22 C ATOM 322 CG TRP A 22 6.686 -2.559 6.108 1.00 70.00 C ATOM 323 CD1 TRP A 22 7.327 -3.388 6.982 1.00 72.34 C ATOM 324 CD2 TRP A 22 5.408 -2.273 6.695 1.00 4.15 C ATOM 325 NE1 TRP A 22 6.535 -3.623 8.078 1.00 40.42 N ATOM 326 CE2 TRP A 22 5.352 -2.950 7.926 1.00 63.24 C ATOM 327 CE3 TRP A 22 4.310 -1.502 6.304 1.00 2.33 C ATOM 328 CZ2 TRP A 22 4.242 -2.884 8.767 1.00 51.13 C ATOM 329 CZ3 TRP A 22 3.209 -1.437 7.137 1.00 4.23 C ATOM 330 CH2 TRP A 22 3.182 -2.123 8.357 1.00 40.12 C ATOM 0 H TRP A 22 9.191 -1.627 6.460 1.00 64.01 H new ATOM 0 HA TRP A 22 8.400 -0.593 3.825 1.00 10.44 H new ATOM 0 HB2 TRP A 22 6.348 -1.846 4.142 1.00 23.22 H new ATOM 0 HB3 TRP A 22 7.753 -2.880 4.306 1.00 23.22 H new ATOM 0 HD1 TRP A 22 8.314 -3.800 6.833 1.00 72.34 H new ATOM 0 HE1 TRP A 22 6.787 -4.205 8.877 1.00 40.42 H new ATOM 0 HE3 TRP A 22 4.322 -0.966 5.367 1.00 2.33 H new ATOM 0 HZ2 TRP A 22 4.220 -3.414 9.708 1.00 51.13 H new ATOM 0 HZ3 TRP A 22 2.354 -0.847 6.841 1.00 4.23 H new ATOM 0 HH2 TRP A 22 2.307 -2.050 8.987 1.00 40.12 H new ATOM 341 N ALA A 23 6.999 1.288 4.533 1.00 73.15 N ATOM 342 CA ALA A 23 6.268 2.485 4.905 1.00 23.34 C ATOM 343 C ALA A 23 5.557 3.038 3.685 1.00 72.22 C ATOM 344 O ALA A 23 6.135 3.090 2.598 1.00 55.53 O ATOM 345 CB ALA A 23 7.215 3.526 5.485 1.00 55.30 C ATOM 0 H ALA A 23 7.204 1.219 3.536 1.00 73.15 H new ATOM 0 HA ALA A 23 5.531 2.234 5.668 1.00 23.34 H new ATOM 0 HB1 ALA A 23 6.652 4.418 5.759 1.00 55.30 H new ATOM 0 HB2 ALA A 23 7.704 3.120 6.370 1.00 55.30 H new ATOM 0 HB3 ALA A 23 7.968 3.787 4.742 1.00 55.30 H new ATOM 351 N TYR A 24 4.309 3.433 3.858 1.00 54.11 N ATOM 352 CA TYR A 24 3.528 3.980 2.761 1.00 31.23 C ATOM 353 C TYR A 24 2.327 4.742 3.293 1.00 21.13 C ATOM 354 O TYR A 24 1.956 4.593 4.461 1.00 3.12 O ATOM 355 CB TYR A 24 3.082 2.869 1.796 1.00 54.41 C ATOM 356 CG TYR A 24 2.349 1.714 2.452 1.00 41.14 C ATOM 357 CD1 TYR A 24 3.042 0.607 2.935 1.00 70.24 C ATOM 358 CD2 TYR A 24 0.967 1.723 2.572 1.00 24.23 C ATOM 359 CE1 TYR A 24 2.375 -0.454 3.519 1.00 51.10 C ATOM 360 CE2 TYR A 24 0.294 0.668 3.158 1.00 3.21 C ATOM 361 CZ TYR A 24 1.001 -0.418 3.629 1.00 32.00 C ATOM 362 OH TYR A 24 0.326 -1.472 4.200 1.00 25.20 O ATOM 0 H TYR A 24 3.813 3.386 4.748 1.00 54.11 H new ATOM 0 HA TYR A 24 4.160 4.674 2.206 1.00 31.23 H new ATOM 0 HB2 TYR A 24 2.436 3.306 1.035 1.00 54.41 H new ATOM 0 HB3 TYR A 24 3.961 2.479 1.282 1.00 54.41 H new ATOM 0 HD1 TYR A 24 4.118 0.577 2.852 1.00 70.24 H new ATOM 0 HD2 TYR A 24 0.408 2.569 2.201 1.00 24.23 H new ATOM 0 HE1 TYR A 24 2.927 -1.306 3.887 1.00 51.10 H new ATOM 0 HE2 TYR A 24 -0.782 0.694 3.247 1.00 3.21 H new ATOM 0 HH TYR A 24 0.633 -1.596 5.122 1.00 25.20 H new ATOM 372 N ALA A 25 1.735 5.565 2.441 1.00 42.11 N ATOM 373 CA ALA A 25 0.589 6.368 2.829 1.00 14.14 C ATOM 374 C ALA A 25 -0.488 6.352 1.750 1.00 64.04 C ATOM 375 O ALA A 25 -0.212 6.597 0.575 1.00 75.21 O ATOM 376 CB ALA A 25 1.023 7.795 3.119 1.00 63.40 C ATOM 0 H ALA A 25 2.032 5.693 1.474 1.00 42.11 H new ATOM 0 HA ALA A 25 0.164 5.934 3.734 1.00 14.14 H new ATOM 0 HB1 ALA A 25 0.155 8.387 3.409 1.00 63.40 H new ATOM 0 HB2 ALA A 25 1.751 7.796 3.931 1.00 63.40 H new ATOM 0 HB3 ALA A 25 1.475 8.226 2.226 1.00 63.40 H new ATOM 382 N PHE A 26 -1.712 6.056 2.156 1.00 22.33 N ATOM 383 CA PHE A 26 -2.849 6.102 1.250 1.00 74.55 C ATOM 384 C PHE A 26 -3.433 7.503 1.243 1.00 44.23 C ATOM 385 O PHE A 26 -4.076 7.923 2.209 1.00 13.45 O ATOM 386 CB PHE A 26 -3.933 5.097 1.661 1.00 31.21 C ATOM 387 CG PHE A 26 -3.511 3.655 1.578 1.00 2.43 C ATOM 388 CD1 PHE A 26 -3.358 3.035 0.348 1.00 21.50 C ATOM 389 CD2 PHE A 26 -3.280 2.920 2.727 1.00 2.42 C ATOM 390 CE1 PHE A 26 -2.981 1.709 0.267 1.00 44.22 C ATOM 391 CE2 PHE A 26 -2.904 1.593 2.653 1.00 21.30 C ATOM 392 CZ PHE A 26 -2.754 0.986 1.421 1.00 24.02 C ATOM 0 H PHE A 26 -1.944 5.780 3.110 1.00 22.33 H new ATOM 0 HA PHE A 26 -2.500 5.836 0.252 1.00 74.55 H new ATOM 0 HB2 PHE A 26 -4.242 5.314 2.683 1.00 31.21 H new ATOM 0 HB3 PHE A 26 -4.806 5.244 1.026 1.00 31.21 H new ATOM 0 HD1 PHE A 26 -3.536 3.596 -0.558 1.00 21.50 H new ATOM 0 HD2 PHE A 26 -3.395 3.389 3.693 1.00 2.42 H new ATOM 0 HE1 PHE A 26 -2.864 1.238 -0.698 1.00 44.22 H new ATOM 0 HE2 PHE A 26 -2.727 1.030 3.558 1.00 21.30 H new ATOM 0 HZ PHE A 26 -2.460 -0.051 1.361 1.00 24.02 H new ATOM 402 N VAL A 27 -3.191 8.226 0.168 1.00 64.23 N ATOM 403 CA VAL A 27 -3.666 9.589 0.045 1.00 62.11 C ATOM 404 C VAL A 27 -4.759 9.694 -1.022 1.00 30.54 C ATOM 405 O VAL A 27 -4.599 9.228 -2.149 1.00 31.01 O ATOM 406 CB VAL A 27 -2.492 10.561 -0.253 1.00 33.45 C ATOM 407 CG1 VAL A 27 -1.621 10.040 -1.385 1.00 73.05 C ATOM 408 CG2 VAL A 27 -2.995 11.960 -0.571 1.00 74.10 C ATOM 0 H VAL A 27 -2.664 7.889 -0.638 1.00 64.23 H new ATOM 0 HA VAL A 27 -4.105 9.881 0.999 1.00 62.11 H new ATOM 0 HB VAL A 27 -1.883 10.618 0.649 1.00 33.45 H new ATOM 0 HG11 VAL A 27 -0.808 10.742 -1.571 1.00 73.05 H new ATOM 0 HG12 VAL A 27 -1.208 9.070 -1.109 1.00 73.05 H new ATOM 0 HG13 VAL A 27 -2.222 9.934 -2.288 1.00 73.05 H new ATOM 0 HG21 VAL A 27 -2.147 12.614 -0.774 1.00 74.10 H new ATOM 0 HG22 VAL A 27 -3.643 11.923 -1.447 1.00 74.10 H new ATOM 0 HG23 VAL A 27 -3.556 12.347 0.280 1.00 74.10 H new ATOM 418 N LYS A 28 -5.881 10.289 -0.641 1.00 51.40 N ATOM 419 CA LYS A 28 -7.023 10.457 -1.532 1.00 50.21 C ATOM 420 C LYS A 28 -7.375 11.931 -1.683 1.00 73.24 C ATOM 421 O LYS A 28 -7.652 12.609 -0.695 1.00 54.10 O ATOM 422 CB LYS A 28 -8.240 9.695 -0.994 1.00 74.00 C ATOM 423 CG LYS A 28 -8.549 9.995 0.468 1.00 12.33 C ATOM 424 CD LYS A 28 -9.925 9.494 0.884 1.00 35.15 C ATOM 425 CE LYS A 28 -11.023 10.516 0.601 1.00 22.52 C ATOM 426 NZ LYS A 28 -11.368 10.617 -0.843 1.00 21.31 N ATOM 0 H LYS A 28 -6.026 10.669 0.294 1.00 51.40 H new ATOM 0 HA LYS A 28 -6.750 10.055 -2.508 1.00 50.21 H new ATOM 0 HB2 LYS A 28 -9.111 9.944 -1.600 1.00 74.00 H new ATOM 0 HB3 LYS A 28 -8.068 8.625 -1.108 1.00 74.00 H new ATOM 0 HG2 LYS A 28 -7.790 9.532 1.099 1.00 12.33 H new ATOM 0 HG3 LYS A 28 -8.491 11.070 0.636 1.00 12.33 H new ATOM 0 HD2 LYS A 28 -10.148 8.568 0.354 1.00 35.15 H new ATOM 0 HD3 LYS A 28 -9.917 9.258 1.948 1.00 35.15 H new ATOM 0 HE2 LYS A 28 -11.916 10.246 1.164 1.00 22.52 H new ATOM 0 HE3 LYS A 28 -10.703 11.494 0.961 1.00 22.52 H new ATOM 0 HZ1 LYS A 28 -12.368 10.885 -0.943 1.00 21.31 H new ATOM 0 HZ2 LYS A 28 -10.769 11.339 -1.293 1.00 21.31 H new ATOM 0 HZ3 LYS A 28 -11.208 9.698 -1.303 1.00 21.31 H new ATOM 440 N ASP A 29 -7.328 12.424 -2.918 1.00 30.45 N ATOM 441 CA ASP A 29 -7.712 13.806 -3.231 1.00 5.32 C ATOM 442 C ASP A 29 -6.792 14.795 -2.514 1.00 64.40 C ATOM 443 O ASP A 29 -7.115 15.975 -2.366 1.00 41.43 O ATOM 444 CB ASP A 29 -9.174 14.075 -2.832 1.00 3.34 C ATOM 445 CG ASP A 29 -10.157 13.087 -3.438 1.00 71.12 C ATOM 446 OD1 ASP A 29 -10.377 12.016 -2.820 1.00 64.04 O ATOM 447 OD2 ASP A 29 -10.731 13.382 -4.511 1.00 53.13 O ATOM 0 H ASP A 29 -7.025 11.884 -3.729 1.00 30.45 H new ATOM 0 HA ASP A 29 -7.613 13.943 -4.308 1.00 5.32 H new ATOM 0 HB2 ASP A 29 -9.259 14.040 -1.746 1.00 3.34 H new ATOM 0 HB3 ASP A 29 -9.447 15.084 -3.141 1.00 3.34 H new ATOM 452 N GLY A 30 -5.633 14.306 -2.085 1.00 23.34 N ATOM 453 CA GLY A 30 -4.693 15.133 -1.355 1.00 74.15 C ATOM 454 C GLY A 30 -4.807 14.953 0.148 1.00 52.41 C ATOM 455 O GLY A 30 -4.087 15.598 0.913 1.00 75.34 O ATOM 0 H GLY A 30 -5.327 13.344 -2.232 1.00 23.34 H new ATOM 0 HA2 GLY A 30 -3.678 14.890 -1.671 1.00 74.15 H new ATOM 0 HA3 GLY A 30 -4.863 16.180 -1.606 1.00 74.15 H new ATOM 459 N LYS A 31 -5.715 14.080 0.574 1.00 52.22 N ATOM 460 CA LYS A 31 -5.929 13.820 1.995 1.00 33.45 C ATOM 461 C LYS A 31 -5.279 12.505 2.406 1.00 33.32 C ATOM 462 O LYS A 31 -5.433 11.494 1.721 1.00 2.14 O ATOM 463 CB LYS A 31 -7.424 13.736 2.313 1.00 65.13 C ATOM 464 CG LYS A 31 -8.269 14.828 1.683 1.00 74.41 C ATOM 465 CD LYS A 31 -7.814 16.211 2.103 1.00 34.21 C ATOM 466 CE LYS A 31 -8.812 17.261 1.666 1.00 13.40 C ATOM 467 NZ LYS A 31 -10.093 17.134 2.407 1.00 42.23 N ATOM 0 H LYS A 31 -6.317 13.539 -0.047 1.00 52.22 H new ATOM 0 HA LYS A 31 -5.479 14.645 2.547 1.00 33.45 H new ATOM 0 HB2 LYS A 31 -7.799 12.768 1.980 1.00 65.13 H new ATOM 0 HB3 LYS A 31 -7.554 13.773 3.395 1.00 65.13 H new ATOM 0 HG2 LYS A 31 -8.219 14.744 0.597 1.00 74.41 H new ATOM 0 HG3 LYS A 31 -9.312 14.688 1.966 1.00 74.41 H new ATOM 0 HD2 LYS A 31 -7.693 16.246 3.186 1.00 34.21 H new ATOM 0 HD3 LYS A 31 -6.839 16.426 1.667 1.00 34.21 H new ATOM 0 HE2 LYS A 31 -8.393 18.254 1.829 1.00 13.40 H new ATOM 0 HE3 LYS A 31 -8.998 17.165 0.596 1.00 13.40 H new ATOM 0 HZ1 LYS A 31 -10.610 18.036 2.364 1.00 42.23 H new ATOM 0 HZ2 LYS A 31 -10.670 16.383 1.977 1.00 42.23 H new ATOM 0 HZ3 LYS A 31 -9.897 16.894 3.400 1.00 42.23 H new ATOM 481 N VAL A 32 -4.575 12.510 3.524 1.00 41.43 N ATOM 482 CA VAL A 32 -3.974 11.288 4.038 1.00 40.54 C ATOM 483 C VAL A 32 -5.023 10.447 4.771 1.00 31.05 C ATOM 484 O VAL A 32 -5.665 10.908 5.716 1.00 62.11 O ATOM 485 CB VAL A 32 -2.763 11.581 4.963 1.00 21.41 C ATOM 486 CG1 VAL A 32 -3.149 12.489 6.121 1.00 42.13 C ATOM 487 CG2 VAL A 32 -2.147 10.285 5.473 1.00 53.42 C ATOM 0 H VAL A 32 -4.405 13.340 4.092 1.00 41.43 H new ATOM 0 HA VAL A 32 -3.599 10.722 3.185 1.00 40.54 H new ATOM 0 HB VAL A 32 -2.015 12.107 4.369 1.00 21.41 H new ATOM 0 HG11 VAL A 32 -2.275 12.672 6.747 1.00 42.13 H new ATOM 0 HG12 VAL A 32 -3.521 13.437 5.732 1.00 42.13 H new ATOM 0 HG13 VAL A 32 -3.927 12.010 6.715 1.00 42.13 H new ATOM 0 HG21 VAL A 32 -1.300 10.514 6.119 1.00 53.42 H new ATOM 0 HG22 VAL A 32 -2.893 9.725 6.037 1.00 53.42 H new ATOM 0 HG23 VAL A 32 -1.807 9.687 4.628 1.00 53.42 H new ATOM 497 N HIS A 33 -5.221 9.221 4.309 1.00 54.03 N ATOM 498 CA HIS A 33 -6.223 8.345 4.899 1.00 30.24 C ATOM 499 C HIS A 33 -5.573 7.320 5.829 1.00 5.34 C ATOM 500 O HIS A 33 -6.139 6.957 6.858 1.00 33.31 O ATOM 501 CB HIS A 33 -7.020 7.640 3.793 1.00 52.21 C ATOM 502 CG HIS A 33 -8.220 6.887 4.290 1.00 51.35 C ATOM 503 ND1 HIS A 33 -8.443 5.552 4.021 1.00 12.32 N ATOM 504 CD2 HIS A 33 -9.271 7.297 5.036 1.00 25.20 C ATOM 505 CE1 HIS A 33 -9.580 5.179 4.583 1.00 14.41 C ATOM 506 NE2 HIS A 33 -10.099 6.219 5.206 1.00 62.13 N ATOM 0 H HIS A 33 -4.704 8.812 3.531 1.00 54.03 H new ATOM 0 HA HIS A 33 -6.906 8.952 5.494 1.00 30.24 H new ATOM 0 HB2 HIS A 33 -7.346 8.383 3.065 1.00 52.21 H new ATOM 0 HB3 HIS A 33 -6.361 6.948 3.269 1.00 52.21 H new ATOM 0 HD2 HIS A 33 -9.429 8.292 5.426 1.00 25.20 H new ATOM 0 HE1 HIS A 33 -10.011 4.190 4.539 1.00 14.41 H new ATOM 0 HE2 HIS A 33 -10.975 6.220 5.729 1.00 62.13 H new ATOM 515 N TYR A 34 -4.384 6.858 5.460 1.00 63.45 N ATOM 516 CA TYR A 34 -3.651 5.880 6.260 1.00 64.42 C ATOM 517 C TYR A 34 -2.155 6.019 6.040 1.00 61.54 C ATOM 518 O TYR A 34 -1.715 6.365 4.945 1.00 73.10 O ATOM 519 CB TYR A 34 -4.075 4.447 5.913 1.00 42.53 C ATOM 520 CG TYR A 34 -5.207 3.909 6.762 1.00 60.33 C ATOM 521 CD1 TYR A 34 -5.015 3.650 8.114 1.00 71.12 C ATOM 522 CD2 TYR A 34 -6.460 3.650 6.216 1.00 22.50 C ATOM 523 CE1 TYR A 34 -6.038 3.150 8.898 1.00 53.45 C ATOM 524 CE2 TYR A 34 -7.487 3.150 6.994 1.00 72.25 C ATOM 525 CZ TYR A 34 -7.271 2.903 8.335 1.00 1.43 C ATOM 526 OH TYR A 34 -8.293 2.410 9.115 1.00 25.34 O ATOM 0 H TYR A 34 -3.904 7.146 4.607 1.00 63.45 H new ATOM 0 HA TYR A 34 -3.887 6.077 7.306 1.00 64.42 H new ATOM 0 HB2 TYR A 34 -4.374 4.413 4.865 1.00 42.53 H new ATOM 0 HB3 TYR A 34 -3.212 3.789 6.020 1.00 42.53 H new ATOM 0 HD1 TYR A 34 -4.050 3.843 8.560 1.00 71.12 H new ATOM 0 HD2 TYR A 34 -6.633 3.843 5.168 1.00 22.50 H new ATOM 0 HE1 TYR A 34 -5.871 2.954 9.947 1.00 53.45 H new ATOM 0 HE2 TYR A 34 -8.454 2.953 6.555 1.00 72.25 H new ATOM 0 HH TYR A 34 -9.096 2.293 8.566 1.00 25.34 H new ATOM 536 N GLU A 35 -1.388 5.750 7.090 1.00 12.12 N ATOM 537 CA GLU A 35 0.066 5.728 7.009 1.00 62.33 C ATOM 538 C GLU A 35 0.641 4.951 8.184 1.00 25.42 C ATOM 539 O GLU A 35 0.016 4.872 9.244 1.00 71.25 O ATOM 540 CB GLU A 35 0.648 7.155 6.960 1.00 63.35 C ATOM 541 CG GLU A 35 0.239 8.074 8.115 1.00 62.15 C ATOM 542 CD GLU A 35 0.919 7.742 9.436 1.00 22.43 C ATOM 543 OE1 GLU A 35 2.164 7.655 9.472 1.00 4.11 O ATOM 544 OE2 GLU A 35 0.209 7.590 10.450 1.00 45.44 O ATOM 0 H GLU A 35 -1.756 5.542 8.018 1.00 12.12 H new ATOM 0 HA GLU A 35 0.349 5.228 6.083 1.00 62.33 H new ATOM 0 HB2 GLU A 35 1.736 7.085 6.942 1.00 63.35 H new ATOM 0 HB3 GLU A 35 0.344 7.621 6.023 1.00 63.35 H new ATOM 0 HG2 GLU A 35 0.471 9.105 7.847 1.00 62.15 H new ATOM 0 HG3 GLU A 35 -0.841 8.015 8.248 1.00 62.15 H new ATOM 551 N ASP A 36 1.811 4.352 7.980 1.00 63.32 N ATOM 552 CA ASP A 36 2.541 3.683 9.057 1.00 31.01 C ATOM 553 C ASP A 36 3.893 3.197 8.551 1.00 60.10 C ATOM 554 O ASP A 36 4.152 3.217 7.344 1.00 42.42 O ATOM 555 CB ASP A 36 1.741 2.507 9.631 1.00 25.31 C ATOM 556 CG ASP A 36 2.276 2.053 10.976 1.00 62.22 C ATOM 557 OD1 ASP A 36 2.621 2.926 11.804 1.00 30.03 O ATOM 558 OD2 ASP A 36 2.370 0.831 11.209 1.00 12.53 O ATOM 0 H ASP A 36 2.278 4.315 7.074 1.00 63.32 H new ATOM 0 HA ASP A 36 2.694 4.407 9.857 1.00 31.01 H new ATOM 0 HB2 ASP A 36 0.696 2.798 9.737 1.00 25.31 H new ATOM 0 HB3 ASP A 36 1.770 1.673 8.930 1.00 25.31 H new ATOM 563 N ALA A 37 4.754 2.773 9.470 1.00 64.11 N ATOM 564 CA ALA A 37 6.074 2.279 9.114 1.00 10.14 C ATOM 565 C ALA A 37 6.564 1.252 10.124 1.00 50.15 C ATOM 566 O ALA A 37 6.367 1.410 11.329 1.00 21.21 O ATOM 567 CB ALA A 37 7.067 3.426 9.023 1.00 41.13 C ATOM 0 H ALA A 37 4.558 2.763 10.471 1.00 64.11 H new ATOM 0 HA ALA A 37 5.997 1.797 8.139 1.00 10.14 H new ATOM 0 HB1 ALA A 37 8.049 3.037 8.756 1.00 41.13 H new ATOM 0 HB2 ALA A 37 6.737 4.133 8.262 1.00 41.13 H new ATOM 0 HB3 ALA A 37 7.127 3.932 9.986 1.00 41.13 H new ATOM 573 N ASP A 38 7.200 0.209 9.627 1.00 20.42 N ATOM 574 CA ASP A 38 7.804 -0.807 10.479 1.00 25.25 C ATOM 575 C ASP A 38 8.941 -1.462 9.702 1.00 44.12 C ATOM 576 O ASP A 38 9.091 -1.221 8.504 1.00 23.25 O ATOM 577 CB ASP A 38 6.758 -1.852 10.907 1.00 1.42 C ATOM 578 CG ASP A 38 7.125 -2.603 12.183 1.00 43.03 C ATOM 579 OD1 ASP A 38 8.197 -3.234 12.233 1.00 55.02 O ATOM 580 OD2 ASP A 38 6.325 -2.582 13.142 1.00 1.42 O ATOM 0 H ASP A 38 7.314 0.039 8.628 1.00 20.42 H new ATOM 0 HA ASP A 38 8.192 -0.349 11.389 1.00 25.25 H new ATOM 0 HB2 ASP A 38 5.799 -1.354 11.052 1.00 1.42 H new ATOM 0 HB3 ASP A 38 6.625 -2.571 10.099 1.00 1.42 H new ATOM 585 N VAL A 39 9.730 -2.281 10.366 1.00 23.32 N ATOM 586 CA VAL A 39 10.893 -2.892 9.753 1.00 45.32 C ATOM 587 C VAL A 39 10.543 -4.258 9.176 1.00 5.25 C ATOM 588 O VAL A 39 9.381 -4.659 9.181 1.00 64.44 O ATOM 589 CB VAL A 39 12.038 -3.044 10.773 1.00 32.43 C ATOM 590 CG1 VAL A 39 12.526 -1.680 11.231 1.00 1.02 C ATOM 591 CG2 VAL A 39 11.594 -3.882 11.964 1.00 34.45 C ATOM 0 H VAL A 39 9.585 -2.542 11.341 1.00 23.32 H new ATOM 0 HA VAL A 39 11.223 -2.237 8.947 1.00 45.32 H new ATOM 0 HB VAL A 39 12.864 -3.560 10.285 1.00 32.43 H new ATOM 0 HG11 VAL A 39 13.335 -1.806 11.951 1.00 1.02 H new ATOM 0 HG12 VAL A 39 12.890 -1.116 10.372 1.00 1.02 H new ATOM 0 HG13 VAL A 39 11.704 -1.138 11.699 1.00 1.02 H new ATOM 0 HG21 VAL A 39 12.419 -3.976 12.671 1.00 34.45 H new ATOM 0 HG22 VAL A 39 10.749 -3.398 12.454 1.00 34.45 H new ATOM 0 HG23 VAL A 39 11.296 -4.873 11.621 1.00 34.45 H new ATOM 601 N GLY A 40 11.548 -4.954 8.653 1.00 13.44 N ATOM 602 CA GLY A 40 11.349 -6.320 8.211 1.00 72.41 C ATOM 603 C GLY A 40 11.046 -7.229 9.382 1.00 20.43 C ATOM 604 O GLY A 40 11.957 -7.673 10.083 1.00 62.34 O ATOM 0 H GLY A 40 12.495 -4.596 8.528 1.00 13.44 H new ATOM 0 HA2 GLY A 40 10.529 -6.358 7.494 1.00 72.41 H new ATOM 0 HA3 GLY A 40 12.241 -6.672 7.694 1.00 72.41 H new ATOM 608 N LYS A 41 9.771 -7.491 9.603 1.00 73.32 N ATOM 609 CA LYS A 41 9.325 -8.235 10.756 1.00 23.41 C ATOM 610 C LYS A 41 9.428 -9.730 10.506 1.00 72.02 C ATOM 611 O LYS A 41 9.834 -10.173 9.430 1.00 70.32 O ATOM 612 CB LYS A 41 7.883 -7.849 11.075 1.00 62.41 C ATOM 613 CG LYS A 41 7.667 -6.345 11.132 1.00 2.30 C ATOM 614 CD LYS A 41 6.243 -5.991 11.501 1.00 62.02 C ATOM 615 CE LYS A 41 5.967 -6.244 12.969 1.00 65.42 C ATOM 616 NZ LYS A 41 6.730 -5.315 13.847 1.00 4.23 N ATOM 0 H LYS A 41 9.018 -7.191 8.984 1.00 73.32 H new ATOM 0 HA LYS A 41 9.964 -7.992 11.605 1.00 23.41 H new ATOM 0 HB2 LYS A 41 7.223 -8.276 10.320 1.00 62.41 H new ATOM 0 HB3 LYS A 41 7.599 -8.287 12.032 1.00 62.41 H new ATOM 0 HG2 LYS A 41 8.350 -5.908 11.861 1.00 2.30 H new ATOM 0 HG3 LYS A 41 7.910 -5.907 10.164 1.00 2.30 H new ATOM 0 HD2 LYS A 41 6.057 -4.942 11.271 1.00 62.02 H new ATOM 0 HD3 LYS A 41 5.553 -6.577 10.894 1.00 62.02 H new ATOM 0 HE2 LYS A 41 4.900 -6.132 13.162 1.00 65.42 H new ATOM 0 HE3 LYS A 41 6.229 -7.273 13.215 1.00 65.42 H new ATOM 0 HZ1 LYS A 41 6.634 -5.616 14.838 1.00 4.23 H new ATOM 0 HZ2 LYS A 41 7.734 -5.328 13.577 1.00 4.23 H new ATOM 0 HZ3 LYS A 41 6.356 -4.351 13.741 1.00 4.23 H new ATOM 630 N ASN A 42 9.047 -10.495 11.501 1.00 64.34 N ATOM 631 CA ASN A 42 9.093 -11.948 11.414 1.00 14.33 C ATOM 632 C ASN A 42 7.809 -12.487 10.799 1.00 13.32 C ATOM 633 O ASN A 42 6.725 -11.954 11.042 1.00 41.32 O ATOM 634 CB ASN A 42 9.318 -12.566 12.800 1.00 61.44 C ATOM 635 CG ASN A 42 10.747 -12.397 13.290 1.00 51.42 C ATOM 636 OD1 ASN A 42 11.092 -11.392 13.909 1.00 33.22 O ATOM 637 ND2 ASN A 42 11.587 -13.388 13.025 1.00 3.40 N ATOM 0 H ASN A 42 8.698 -10.138 12.390 1.00 64.34 H new ATOM 0 HA ASN A 42 9.929 -12.224 10.772 1.00 14.33 H new ATOM 0 HB2 ASN A 42 8.636 -12.105 13.514 1.00 61.44 H new ATOM 0 HB3 ASN A 42 9.073 -13.628 12.765 1.00 61.44 H new ATOM 0 HD21 ASN A 42 12.556 -13.332 13.337 1.00 3.40 H new ATOM 0 HD22 ASN A 42 11.264 -14.206 12.509 1.00 3.40 H new ATOM 644 N PRO A 43 7.919 -13.555 9.991 1.00 23.42 N ATOM 645 CA PRO A 43 6.770 -14.167 9.314 1.00 70.52 C ATOM 646 C PRO A 43 5.669 -14.587 10.285 1.00 11.21 C ATOM 647 O PRO A 43 4.486 -14.398 10.006 1.00 75.21 O ATOM 648 CB PRO A 43 7.368 -15.395 8.623 1.00 61.44 C ATOM 649 CG PRO A 43 8.813 -15.077 8.463 1.00 24.15 C ATOM 650 CD PRO A 43 9.181 -14.238 9.654 1.00 51.23 C ATOM 0 HA PRO A 43 6.290 -13.467 8.630 1.00 70.52 H new ATOM 0 HB2 PRO A 43 7.225 -16.294 9.222 1.00 61.44 H new ATOM 0 HB3 PRO A 43 6.894 -15.576 7.658 1.00 61.44 H new ATOM 0 HG2 PRO A 43 9.412 -15.987 8.425 1.00 24.15 H new ATOM 0 HG3 PRO A 43 8.994 -14.537 7.533 1.00 24.15 H new ATOM 0 HD2 PRO A 43 9.541 -14.850 10.481 1.00 51.23 H new ATOM 0 HD3 PRO A 43 9.972 -13.527 9.416 1.00 51.23 H new ATOM 658 N ALA A 44 6.062 -15.131 11.433 1.00 21.43 N ATOM 659 CA ALA A 44 5.104 -15.599 12.432 1.00 21.42 C ATOM 660 C ALA A 44 4.301 -14.446 13.034 1.00 45.30 C ATOM 661 O ALA A 44 3.257 -14.661 13.651 1.00 60.04 O ATOM 662 CB ALA A 44 5.827 -16.365 13.528 1.00 51.24 C ATOM 0 H ALA A 44 7.039 -15.259 11.696 1.00 21.43 H new ATOM 0 HA ALA A 44 4.399 -16.263 11.931 1.00 21.42 H new ATOM 0 HB1 ALA A 44 5.105 -16.710 14.268 1.00 51.24 H new ATOM 0 HB2 ALA A 44 6.340 -17.223 13.094 1.00 51.24 H new ATOM 0 HB3 ALA A 44 6.555 -15.712 14.009 1.00 51.24 H new ATOM 668 N ALA A 45 4.792 -13.227 12.860 1.00 65.51 N ATOM 669 CA ALA A 45 4.091 -12.051 13.349 1.00 55.32 C ATOM 670 C ALA A 45 3.312 -11.386 12.223 1.00 63.40 C ATOM 671 O ALA A 45 2.181 -10.935 12.412 1.00 72.15 O ATOM 672 CB ALA A 45 5.074 -11.069 13.971 1.00 55.21 C ATOM 0 H ALA A 45 5.672 -13.028 12.384 1.00 65.51 H new ATOM 0 HA ALA A 45 3.383 -12.365 14.116 1.00 55.32 H new ATOM 0 HB1 ALA A 45 4.534 -10.194 14.332 1.00 55.21 H new ATOM 0 HB2 ALA A 45 5.589 -11.548 14.804 1.00 55.21 H new ATOM 0 HB3 ALA A 45 5.804 -10.761 13.222 1.00 55.21 H new ATOM 678 N ALA A 46 3.914 -11.353 11.042 1.00 61.51 N ATOM 679 CA ALA A 46 3.309 -10.704 9.887 1.00 22.43 C ATOM 680 C ALA A 46 2.056 -11.438 9.416 1.00 52.01 C ATOM 681 O ALA A 46 1.155 -10.831 8.834 1.00 62.34 O ATOM 682 CB ALA A 46 4.320 -10.600 8.758 1.00 65.35 C ATOM 0 H ALA A 46 4.826 -11.771 10.858 1.00 61.51 H new ATOM 0 HA ALA A 46 3.005 -9.702 10.189 1.00 22.43 H new ATOM 0 HB1 ALA A 46 3.858 -10.113 7.899 1.00 65.35 H new ATOM 0 HB2 ALA A 46 5.177 -10.013 9.090 1.00 65.35 H new ATOM 0 HB3 ALA A 46 4.652 -11.599 8.474 1.00 65.35 H new ATOM 688 N THR A 47 2.000 -12.736 9.686 1.00 73.12 N ATOM 689 CA THR A 47 0.883 -13.572 9.260 1.00 75.31 C ATOM 690 C THR A 47 -0.442 -13.130 9.879 1.00 23.42 C ATOM 691 O THR A 47 -1.511 -13.368 9.316 1.00 45.12 O ATOM 692 CB THR A 47 1.141 -15.043 9.621 1.00 41.51 C ATOM 693 OG1 THR A 47 1.745 -15.121 10.918 1.00 23.22 O ATOM 694 CG2 THR A 47 2.037 -15.708 8.592 1.00 44.35 C ATOM 0 H THR A 47 2.722 -13.237 10.203 1.00 73.12 H new ATOM 0 HA THR A 47 0.806 -13.462 8.178 1.00 75.31 H new ATOM 0 HB THR A 47 0.186 -15.569 9.630 1.00 41.51 H new ATOM 0 HG1 THR A 47 2.719 -15.052 10.830 1.00 23.22 H new ATOM 0 HG21 THR A 47 2.203 -16.748 8.872 1.00 44.35 H new ATOM 0 HG22 THR A 47 1.559 -15.668 7.613 1.00 44.35 H new ATOM 0 HG23 THR A 47 2.993 -15.186 8.551 1.00 44.35 H new ATOM 702 N MET A 48 -0.374 -12.470 11.029 1.00 23.14 N ATOM 703 CA MET A 48 -1.577 -12.051 11.736 1.00 55.11 C ATOM 704 C MET A 48 -2.041 -10.679 11.244 1.00 64.31 C ATOM 705 O MET A 48 -2.338 -9.780 12.034 1.00 51.30 O ATOM 706 CB MET A 48 -1.327 -12.044 13.248 1.00 11.02 C ATOM 707 CG MET A 48 -2.597 -11.888 14.079 1.00 10.23 C ATOM 708 SD MET A 48 -2.342 -12.257 15.826 1.00 60.41 S ATOM 709 CE MET A 48 -1.964 -14.008 15.737 1.00 44.32 C ATOM 0 H MET A 48 0.499 -12.214 11.490 1.00 23.14 H new ATOM 0 HA MET A 48 -2.374 -12.765 11.527 1.00 55.11 H new ATOM 0 HB2 MET A 48 -0.831 -12.973 13.530 1.00 11.02 H new ATOM 0 HB3 MET A 48 -0.643 -11.231 13.490 1.00 11.02 H new ATOM 0 HG2 MET A 48 -2.968 -10.868 13.979 1.00 10.23 H new ATOM 0 HG3 MET A 48 -3.368 -12.548 13.682 1.00 10.23 H new ATOM 0 HE1 MET A 48 -2.544 -14.544 16.488 1.00 44.32 H new ATOM 0 HE2 MET A 48 -2.217 -14.385 14.746 1.00 44.32 H new ATOM 0 HE3 MET A 48 -0.901 -14.161 15.923 1.00 44.32 H new ATOM 719 N ARG A 49 -2.089 -10.536 9.920 1.00 13.52 N ATOM 720 CA ARG A 49 -2.613 -9.336 9.269 1.00 14.21 C ATOM 721 C ARG A 49 -1.869 -8.084 9.728 1.00 11.02 C ATOM 722 O ARG A 49 -2.484 -7.096 10.129 1.00 31.32 O ATOM 723 CB ARG A 49 -4.116 -9.201 9.554 1.00 55.22 C ATOM 724 CG ARG A 49 -4.870 -8.350 8.541 1.00 71.22 C ATOM 725 CD ARG A 49 -6.355 -8.279 8.875 1.00 3.34 C ATOM 726 NE ARG A 49 -6.908 -9.598 9.178 1.00 2.50 N ATOM 727 CZ ARG A 49 -8.146 -9.987 8.886 1.00 14.11 C ATOM 728 NH1 ARG A 49 -8.986 -9.170 8.261 1.00 4.32 N ATOM 729 NH2 ARG A 49 -8.546 -11.202 9.234 1.00 22.13 N ATOM 0 H ARG A 49 -1.765 -11.250 9.268 1.00 13.52 H new ATOM 0 HA ARG A 49 -2.459 -9.437 8.195 1.00 14.21 H new ATOM 0 HB2 ARG A 49 -4.560 -10.196 9.578 1.00 55.22 H new ATOM 0 HB3 ARG A 49 -4.249 -8.768 10.546 1.00 55.22 H new ATOM 0 HG2 ARG A 49 -4.450 -7.344 8.524 1.00 71.22 H new ATOM 0 HG3 ARG A 49 -4.739 -8.767 7.543 1.00 71.22 H new ATOM 0 HD2 ARG A 49 -6.504 -7.618 9.729 1.00 3.34 H new ATOM 0 HD3 ARG A 49 -6.896 -7.842 8.035 1.00 3.34 H new ATOM 0 HE ARG A 49 -6.300 -10.269 9.648 1.00 2.50 H new ATOM 0 HH11 ARG A 49 -8.684 -8.232 7.999 1.00 4.32 H new ATOM 0 HH12 ARG A 49 -9.933 -9.481 8.043 1.00 4.32 H new ATOM 0 HH21 ARG A 49 -7.906 -11.829 9.721 1.00 22.13 H new ATOM 0 HH22 ARG A 49 -9.493 -11.509 9.014 1.00 22.13 H new ATOM 743 N ASN A 50 -0.544 -8.134 9.674 1.00 74.11 N ATOM 744 CA ASN A 50 0.270 -6.979 10.037 1.00 1.12 C ATOM 745 C ASN A 50 0.429 -6.044 8.842 1.00 10.10 C ATOM 746 O ASN A 50 -0.275 -5.045 8.746 1.00 40.42 O ATOM 747 CB ASN A 50 1.634 -7.417 10.589 1.00 60.35 C ATOM 748 CG ASN A 50 2.593 -6.253 10.787 1.00 14.30 C ATOM 749 OD1 ASN A 50 3.437 -5.986 9.937 1.00 21.40 O ATOM 750 ND2 ASN A 50 2.462 -5.547 11.900 1.00 72.23 N ATOM 0 H ASN A 50 -0.012 -8.955 9.385 1.00 74.11 H new ATOM 0 HA ASN A 50 -0.242 -6.432 10.829 1.00 1.12 H new ATOM 0 HB2 ASN A 50 1.488 -7.927 11.541 1.00 60.35 H new ATOM 0 HB3 ASN A 50 2.082 -8.139 9.906 1.00 60.35 H new ATOM 0 HD21 ASN A 50 3.075 -4.750 12.074 1.00 72.23 H new ATOM 0 HD22 ASN A 50 1.748 -5.800 12.583 1.00 72.23 H new ATOM 757 N VAL A 51 1.310 -6.393 7.909 1.00 54.03 N ATOM 758 CA VAL A 51 1.516 -5.580 6.714 1.00 33.15 C ATOM 759 C VAL A 51 0.262 -5.614 5.846 1.00 10.02 C ATOM 760 O VAL A 51 -0.067 -4.654 5.149 1.00 12.22 O ATOM 761 CB VAL A 51 2.722 -6.079 5.885 1.00 1.13 C ATOM 762 CG1 VAL A 51 3.022 -5.124 4.737 1.00 20.03 C ATOM 763 CG2 VAL A 51 3.949 -6.254 6.766 1.00 44.33 C ATOM 0 H VAL A 51 1.891 -7.230 7.957 1.00 54.03 H new ATOM 0 HA VAL A 51 1.723 -4.560 7.038 1.00 33.15 H new ATOM 0 HB VAL A 51 2.462 -7.050 5.464 1.00 1.13 H new ATOM 0 HG11 VAL A 51 3.874 -5.496 4.168 1.00 20.03 H new ATOM 0 HG12 VAL A 51 2.152 -5.055 4.084 1.00 20.03 H new ATOM 0 HG13 VAL A 51 3.255 -4.137 5.136 1.00 20.03 H new ATOM 0 HG21 VAL A 51 4.784 -6.606 6.161 1.00 44.33 H new ATOM 0 HG22 VAL A 51 4.208 -5.299 7.222 1.00 44.33 H new ATOM 0 HG23 VAL A 51 3.735 -6.983 7.547 1.00 44.33 H new ATOM 773 N ALA A 52 -0.438 -6.735 5.914 1.00 44.12 N ATOM 774 CA ALA A 52 -1.675 -6.923 5.177 1.00 2.21 C ATOM 775 C ALA A 52 -2.809 -6.088 5.764 1.00 74.33 C ATOM 776 O ALA A 52 -3.836 -5.901 5.122 1.00 21.42 O ATOM 777 CB ALA A 52 -2.059 -8.396 5.161 1.00 12.14 C ATOM 0 H ALA A 52 -0.165 -7.538 6.481 1.00 44.12 H new ATOM 0 HA ALA A 52 -1.508 -6.586 4.154 1.00 2.21 H new ATOM 0 HB1 ALA A 52 -2.988 -8.524 4.605 1.00 12.14 H new ATOM 0 HB2 ALA A 52 -1.268 -8.973 4.682 1.00 12.14 H new ATOM 0 HB3 ALA A 52 -2.197 -8.747 6.184 1.00 12.14 H new ATOM 783 N GLY A 53 -2.619 -5.592 6.984 1.00 73.15 N ATOM 784 CA GLY A 53 -3.681 -4.883 7.677 1.00 45.33 C ATOM 785 C GLY A 53 -4.149 -3.637 6.941 1.00 10.44 C ATOM 786 O GLY A 53 -5.340 -3.493 6.655 1.00 5.31 O ATOM 0 H GLY A 53 -1.746 -5.669 7.506 1.00 73.15 H new ATOM 0 HA2 GLY A 53 -4.528 -5.555 7.815 1.00 45.33 H new ATOM 0 HA3 GLY A 53 -3.333 -4.601 8.671 1.00 45.33 H new ATOM 790 N GLU A 54 -3.216 -2.751 6.621 1.00 30.13 N ATOM 791 CA GLU A 54 -3.545 -1.500 5.944 1.00 32.33 C ATOM 792 C GLU A 54 -4.120 -1.754 4.552 1.00 65.13 C ATOM 793 O GLU A 54 -5.150 -1.181 4.182 1.00 43.34 O ATOM 794 CB GLU A 54 -2.313 -0.592 5.837 1.00 51.40 C ATOM 795 CG GLU A 54 -1.840 0.000 7.163 1.00 42.34 C ATOM 796 CD GLU A 54 -1.205 -1.021 8.094 1.00 74.45 C ATOM 797 OE1 GLU A 54 -0.822 -2.112 7.620 1.00 51.53 O ATOM 798 OE2 GLU A 54 -1.078 -0.729 9.305 1.00 5.14 O ATOM 0 H GLU A 54 -2.223 -2.874 6.819 1.00 30.13 H new ATOM 0 HA GLU A 54 -4.303 -0.998 6.546 1.00 32.33 H new ATOM 0 HB2 GLU A 54 -1.495 -1.163 5.397 1.00 51.40 H new ATOM 0 HB3 GLU A 54 -2.538 0.224 5.150 1.00 51.40 H new ATOM 0 HG2 GLU A 54 -1.119 0.792 6.961 1.00 42.34 H new ATOM 0 HG3 GLU A 54 -2.688 0.462 7.668 1.00 42.34 H new ATOM 805 N ILE A 55 -3.467 -2.619 3.784 1.00 43.12 N ATOM 806 CA ILE A 55 -3.889 -2.885 2.416 1.00 35.12 C ATOM 807 C ILE A 55 -5.234 -3.611 2.359 1.00 61.42 C ATOM 808 O ILE A 55 -6.036 -3.364 1.460 1.00 35.53 O ATOM 809 CB ILE A 55 -2.828 -3.687 1.634 1.00 52.20 C ATOM 810 CG1 ILE A 55 -2.459 -4.979 2.370 1.00 72.21 C ATOM 811 CG2 ILE A 55 -1.590 -2.834 1.393 1.00 73.13 C ATOM 812 CD1 ILE A 55 -1.487 -5.862 1.611 1.00 61.22 C ATOM 0 H ILE A 55 -2.647 -3.145 4.085 1.00 43.12 H new ATOM 0 HA ILE A 55 -4.007 -1.911 1.942 1.00 35.12 H new ATOM 0 HB ILE A 55 -3.254 -3.962 0.669 1.00 52.20 H new ATOM 0 HG12 ILE A 55 -2.024 -4.724 3.336 1.00 72.21 H new ATOM 0 HG13 ILE A 55 -3.369 -5.545 2.569 1.00 72.21 H new ATOM 0 HG21 ILE A 55 -0.851 -3.414 0.840 1.00 73.13 H new ATOM 0 HG22 ILE A 55 -1.864 -1.951 0.816 1.00 73.13 H new ATOM 0 HG23 ILE A 55 -1.168 -2.526 2.350 1.00 73.13 H new ATOM 0 HD11 ILE A 55 -1.275 -6.757 2.196 1.00 61.22 H new ATOM 0 HD12 ILE A 55 -1.926 -6.149 0.656 1.00 61.22 H new ATOM 0 HD13 ILE A 55 -0.561 -5.316 1.435 1.00 61.22 H new ATOM 824 N ALA A 56 -5.491 -4.491 3.318 1.00 71.43 N ATOM 825 CA ALA A 56 -6.763 -5.207 3.366 1.00 1.11 C ATOM 826 C ALA A 56 -7.906 -4.257 3.700 1.00 24.44 C ATOM 827 O ALA A 56 -9.022 -4.410 3.201 1.00 2.43 O ATOM 828 CB ALA A 56 -6.711 -6.344 4.375 1.00 2.22 C ATOM 0 H ALA A 56 -4.842 -4.726 4.069 1.00 71.43 H new ATOM 0 HA ALA A 56 -6.943 -5.633 2.379 1.00 1.11 H new ATOM 0 HB1 ALA A 56 -7.671 -6.861 4.391 1.00 2.22 H new ATOM 0 HB2 ALA A 56 -5.926 -7.045 4.093 1.00 2.22 H new ATOM 0 HB3 ALA A 56 -6.499 -5.942 5.366 1.00 2.22 H new ATOM 834 N ALA A 57 -7.620 -3.273 4.546 1.00 11.32 N ATOM 835 CA ALA A 57 -8.605 -2.257 4.894 1.00 53.05 C ATOM 836 C ALA A 57 -8.859 -1.340 3.704 1.00 42.13 C ATOM 837 O ALA A 57 -9.995 -0.953 3.429 1.00 43.21 O ATOM 838 CB ALA A 57 -8.140 -1.457 6.106 1.00 62.34 C ATOM 0 H ALA A 57 -6.715 -3.158 5.003 1.00 11.32 H new ATOM 0 HA ALA A 57 -9.542 -2.751 5.153 1.00 53.05 H new ATOM 0 HB1 ALA A 57 -8.887 -0.703 6.352 1.00 62.34 H new ATOM 0 HB2 ALA A 57 -8.007 -2.127 6.955 1.00 62.34 H new ATOM 0 HB3 ALA A 57 -7.193 -0.968 5.878 1.00 62.34 H new ATOM 844 N ALA A 58 -7.792 -1.018 2.985 1.00 53.33 N ATOM 845 CA ALA A 58 -7.889 -0.165 1.808 1.00 72.43 C ATOM 846 C ALA A 58 -8.554 -0.900 0.651 1.00 1.14 C ATOM 847 O ALA A 58 -9.152 -0.278 -0.223 1.00 24.03 O ATOM 848 CB ALA A 58 -6.513 0.331 1.394 1.00 33.22 C ATOM 0 H ALA A 58 -6.846 -1.336 3.197 1.00 53.33 H new ATOM 0 HA ALA A 58 -8.509 0.694 2.067 1.00 72.43 H new ATOM 0 HB1 ALA A 58 -6.605 0.967 0.513 1.00 33.22 H new ATOM 0 HB2 ALA A 58 -6.072 0.903 2.210 1.00 33.22 H new ATOM 0 HB3 ALA A 58 -5.874 -0.521 1.161 1.00 33.22 H new ATOM 854 N LEU A 59 -8.452 -2.224 0.661 1.00 53.34 N ATOM 855 CA LEU A 59 -9.030 -3.066 -0.385 1.00 23.23 C ATOM 856 C LEU A 59 -10.536 -2.847 -0.497 1.00 72.34 C ATOM 857 O LEU A 59 -11.104 -2.882 -1.589 1.00 13.43 O ATOM 858 CB LEU A 59 -8.745 -4.539 -0.083 1.00 52.13 C ATOM 859 CG LEU A 59 -9.118 -5.515 -1.198 1.00 52.33 C ATOM 860 CD1 LEU A 59 -8.245 -5.279 -2.419 1.00 23.34 C ATOM 861 CD2 LEU A 59 -8.994 -6.953 -0.714 1.00 33.51 C ATOM 0 H LEU A 59 -7.968 -2.745 1.392 1.00 53.34 H new ATOM 0 HA LEU A 59 -8.571 -2.791 -1.335 1.00 23.23 H new ATOM 0 HB2 LEU A 59 -7.683 -4.650 0.135 1.00 52.13 H new ATOM 0 HB3 LEU A 59 -9.287 -4.820 0.820 1.00 52.13 H new ATOM 0 HG LEU A 59 -10.157 -5.341 -1.480 1.00 52.33 H new ATOM 0 HD11 LEU A 59 -8.522 -5.981 -3.205 1.00 23.34 H new ATOM 0 HD12 LEU A 59 -8.388 -4.259 -2.777 1.00 23.34 H new ATOM 0 HD13 LEU A 59 -7.199 -5.427 -2.152 1.00 23.34 H new ATOM 0 HD21 LEU A 59 -9.264 -7.633 -1.522 1.00 33.51 H new ATOM 0 HD22 LEU A 59 -7.967 -7.146 -0.405 1.00 33.51 H new ATOM 0 HD23 LEU A 59 -9.663 -7.111 0.132 1.00 33.51 H new ATOM 873 N TYR A 60 -11.176 -2.618 0.639 1.00 31.04 N ATOM 874 CA TYR A 60 -12.612 -2.383 0.672 1.00 63.30 C ATOM 875 C TYR A 60 -12.933 -1.014 0.081 1.00 2.54 C ATOM 876 O TYR A 60 -13.976 -0.823 -0.543 1.00 62.13 O ATOM 877 CB TYR A 60 -13.129 -2.481 2.108 1.00 35.13 C ATOM 878 CG TYR A 60 -14.424 -3.250 2.230 1.00 61.30 C ATOM 879 CD1 TYR A 60 -14.422 -4.637 2.252 1.00 52.22 C ATOM 880 CD2 TYR A 60 -15.644 -2.594 2.329 1.00 23.23 C ATOM 881 CE1 TYR A 60 -15.597 -5.350 2.368 1.00 41.44 C ATOM 882 CE2 TYR A 60 -16.825 -3.301 2.445 1.00 74.24 C ATOM 883 CZ TYR A 60 -16.797 -4.679 2.464 1.00 54.33 C ATOM 884 OH TYR A 60 -17.972 -5.388 2.585 1.00 75.13 O ATOM 0 H TYR A 60 -10.723 -2.590 1.552 1.00 31.04 H new ATOM 0 HA TYR A 60 -13.109 -3.145 0.072 1.00 63.30 H new ATOM 0 HB2 TYR A 60 -12.371 -2.961 2.727 1.00 35.13 H new ATOM 0 HB3 TYR A 60 -13.274 -1.476 2.503 1.00 35.13 H new ATOM 0 HD1 TYR A 60 -13.484 -5.168 2.177 1.00 52.22 H new ATOM 0 HD2 TYR A 60 -15.670 -1.514 2.315 1.00 23.23 H new ATOM 0 HE1 TYR A 60 -15.577 -6.430 2.384 1.00 41.44 H new ATOM 0 HE2 TYR A 60 -17.766 -2.776 2.520 1.00 74.24 H new ATOM 0 HH TYR A 60 -18.726 -4.764 2.643 1.00 75.13 H new ATOM 894 N ALA A 61 -12.016 -0.071 0.265 1.00 2.44 N ATOM 895 CA ALA A 61 -12.156 1.251 -0.325 1.00 22.41 C ATOM 896 C ALA A 61 -11.954 1.167 -1.833 1.00 23.31 C ATOM 897 O ALA A 61 -12.584 1.894 -2.597 1.00 64.00 O ATOM 898 CB ALA A 61 -11.164 2.222 0.298 1.00 74.31 C ATOM 0 H ALA A 61 -11.169 -0.199 0.818 1.00 2.44 H new ATOM 0 HA ALA A 61 -13.161 1.623 -0.126 1.00 22.41 H new ATOM 0 HB1 ALA A 61 -11.284 3.206 -0.156 1.00 74.31 H new ATOM 0 HB2 ALA A 61 -11.348 2.292 1.370 1.00 74.31 H new ATOM 0 HB3 ALA A 61 -10.149 1.865 0.127 1.00 74.31 H new ATOM 904 N VAL A 62 -11.073 0.261 -2.250 1.00 55.02 N ATOM 905 CA VAL A 62 -10.868 -0.024 -3.664 1.00 0.24 C ATOM 906 C VAL A 62 -12.166 -0.546 -4.276 1.00 10.54 C ATOM 907 O VAL A 62 -12.587 -0.107 -5.344 1.00 70.22 O ATOM 908 CB VAL A 62 -9.744 -1.066 -3.878 1.00 41.13 C ATOM 909 CG1 VAL A 62 -9.537 -1.358 -5.356 1.00 71.02 C ATOM 910 CG2 VAL A 62 -8.445 -0.596 -3.244 1.00 43.22 C ATOM 0 H VAL A 62 -10.487 -0.290 -1.623 1.00 55.02 H new ATOM 0 HA VAL A 62 -10.569 0.903 -4.152 1.00 0.24 H new ATOM 0 HB VAL A 62 -10.053 -1.991 -3.391 1.00 41.13 H new ATOM 0 HG11 VAL A 62 -8.741 -2.093 -5.474 1.00 71.02 H new ATOM 0 HG12 VAL A 62 -10.460 -1.751 -5.782 1.00 71.02 H new ATOM 0 HG13 VAL A 62 -9.261 -0.439 -5.873 1.00 71.02 H new ATOM 0 HG21 VAL A 62 -7.669 -1.344 -3.407 1.00 43.22 H new ATOM 0 HG22 VAL A 62 -8.140 0.348 -3.696 1.00 43.22 H new ATOM 0 HG23 VAL A 62 -8.593 -0.454 -2.173 1.00 43.22 H new ATOM 920 N LYS A 63 -12.804 -1.477 -3.576 1.00 31.41 N ATOM 921 CA LYS A 63 -14.091 -2.011 -4.001 1.00 30.13 C ATOM 922 C LYS A 63 -15.144 -0.903 -4.075 1.00 1.11 C ATOM 923 O LYS A 63 -15.932 -0.844 -5.017 1.00 33.24 O ATOM 924 CB LYS A 63 -14.544 -3.128 -3.055 1.00 13.55 C ATOM 925 CG LYS A 63 -14.011 -4.502 -3.436 1.00 61.31 C ATOM 926 CD LYS A 63 -14.555 -5.583 -2.517 1.00 64.02 C ATOM 927 CE LYS A 63 -14.158 -6.978 -2.981 1.00 51.43 C ATOM 928 NZ LYS A 63 -14.779 -7.336 -4.287 1.00 4.32 N ATOM 0 H LYS A 63 -12.449 -1.878 -2.708 1.00 31.41 H new ATOM 0 HA LYS A 63 -13.975 -2.431 -5.000 1.00 30.13 H new ATOM 0 HB2 LYS A 63 -14.219 -2.889 -2.042 1.00 13.55 H new ATOM 0 HB3 LYS A 63 -15.633 -3.161 -3.041 1.00 13.55 H new ATOM 0 HG2 LYS A 63 -14.285 -4.727 -4.467 1.00 61.31 H new ATOM 0 HG3 LYS A 63 -12.922 -4.497 -3.389 1.00 61.31 H new ATOM 0 HD2 LYS A 63 -14.185 -5.418 -1.505 1.00 64.02 H new ATOM 0 HD3 LYS A 63 -15.642 -5.510 -2.475 1.00 64.02 H new ATOM 0 HE2 LYS A 63 -13.073 -7.034 -3.069 1.00 51.43 H new ATOM 0 HE3 LYS A 63 -14.455 -7.708 -2.228 1.00 51.43 H new ATOM 0 HZ1 LYS A 63 -14.681 -8.359 -4.449 1.00 4.32 H new ATOM 0 HZ2 LYS A 63 -15.788 -7.083 -4.273 1.00 4.32 H new ATOM 0 HZ3 LYS A 63 -14.303 -6.817 -5.052 1.00 4.32 H new ATOM 942 N LYS A 64 -15.140 -0.015 -3.087 1.00 41.42 N ATOM 943 CA LYS A 64 -16.062 1.117 -3.073 1.00 64.14 C ATOM 944 C LYS A 64 -15.763 2.100 -4.205 1.00 21.11 C ATOM 945 O LYS A 64 -16.676 2.698 -4.769 1.00 51.04 O ATOM 946 CB LYS A 64 -16.013 1.837 -1.724 1.00 12.45 C ATOM 947 CG LYS A 64 -16.881 1.189 -0.657 1.00 60.23 C ATOM 948 CD LYS A 64 -18.355 1.278 -1.025 1.00 14.32 C ATOM 949 CE LYS A 64 -19.243 0.648 0.035 1.00 42.42 C ATOM 950 NZ LYS A 64 -20.684 0.759 -0.314 1.00 63.04 N ATOM 0 H LYS A 64 -14.510 -0.056 -2.286 1.00 41.42 H new ATOM 0 HA LYS A 64 -17.066 0.722 -3.227 1.00 64.14 H new ATOM 0 HB2 LYS A 64 -14.981 1.865 -1.374 1.00 12.45 H new ATOM 0 HB3 LYS A 64 -16.331 2.870 -1.861 1.00 12.45 H new ATOM 0 HG2 LYS A 64 -16.595 0.144 -0.536 1.00 60.23 H new ATOM 0 HG3 LYS A 64 -16.712 1.679 0.302 1.00 60.23 H new ATOM 0 HD2 LYS A 64 -18.634 2.323 -1.157 1.00 14.32 H new ATOM 0 HD3 LYS A 64 -18.521 0.780 -1.980 1.00 14.32 H new ATOM 0 HE2 LYS A 64 -18.978 -0.403 0.154 1.00 42.42 H new ATOM 0 HE3 LYS A 64 -19.063 1.133 0.995 1.00 42.42 H new ATOM 0 HZ1 LYS A 64 -21.217 0.009 0.170 1.00 63.04 H new ATOM 0 HZ2 LYS A 64 -21.043 1.688 -0.014 1.00 63.04 H new ATOM 0 HZ3 LYS A 64 -20.801 0.658 -1.342 1.00 63.04 H new ATOM 964 N ALA A 65 -14.487 2.259 -4.538 1.00 32.40 N ATOM 965 CA ALA A 65 -14.080 3.147 -5.622 1.00 15.32 C ATOM 966 C ALA A 65 -14.649 2.674 -6.956 1.00 73.12 C ATOM 967 O ALA A 65 -14.992 3.483 -7.819 1.00 31.44 O ATOM 968 CB ALA A 65 -12.562 3.247 -5.693 1.00 43.30 C ATOM 0 H ALA A 65 -13.714 1.783 -4.072 1.00 32.40 H new ATOM 0 HA ALA A 65 -14.481 4.139 -5.415 1.00 15.32 H new ATOM 0 HB1 ALA A 65 -12.279 3.914 -6.508 1.00 43.30 H new ATOM 0 HB2 ALA A 65 -12.179 3.641 -4.752 1.00 43.30 H new ATOM 0 HB3 ALA A 65 -12.140 2.258 -5.871 1.00 43.30 H new ATOM 974 N SER A 66 -14.774 1.362 -7.103 1.00 3.44 N ATOM 975 CA SER A 66 -15.342 0.777 -8.308 1.00 43.21 C ATOM 976 C SER A 66 -16.823 1.134 -8.416 1.00 60.04 C ATOM 977 O SER A 66 -17.355 1.310 -9.514 1.00 4.44 O ATOM 978 CB SER A 66 -15.167 -0.745 -8.283 1.00 4.25 C ATOM 979 OG SER A 66 -15.351 -1.314 -9.569 1.00 53.31 O ATOM 0 H SER A 66 -14.488 0.681 -6.399 1.00 3.44 H new ATOM 0 HA SER A 66 -14.820 1.178 -9.177 1.00 43.21 H new ATOM 0 HB2 SER A 66 -14.171 -0.991 -7.915 1.00 4.25 H new ATOM 0 HB3 SER A 66 -15.881 -1.182 -7.586 1.00 4.25 H new ATOM 0 HG SER A 66 -15.231 -2.285 -9.517 1.00 53.31 H new ATOM 985 N GLN A 67 -17.479 1.253 -7.267 1.00 45.02 N ATOM 986 CA GLN A 67 -18.889 1.592 -7.210 1.00 63.31 C ATOM 987 C GLN A 67 -19.122 3.042 -7.623 1.00 13.23 C ATOM 988 O GLN A 67 -20.154 3.374 -8.202 1.00 73.44 O ATOM 989 CB GLN A 67 -19.411 1.350 -5.800 1.00 12.12 C ATOM 990 CG GLN A 67 -19.394 -0.112 -5.393 1.00 73.51 C ATOM 991 CD GLN A 67 -19.846 -0.335 -3.965 1.00 30.54 C ATOM 992 OE1 GLN A 67 -20.645 0.428 -3.420 1.00 21.51 O ATOM 993 NE2 GLN A 67 -19.338 -1.392 -3.349 1.00 33.02 N ATOM 0 H GLN A 67 -17.046 1.117 -6.353 1.00 45.02 H new ATOM 0 HA GLN A 67 -19.431 0.957 -7.911 1.00 63.31 H new ATOM 0 HB2 GLN A 67 -18.809 1.923 -5.095 1.00 12.12 H new ATOM 0 HB3 GLN A 67 -20.431 1.727 -5.729 1.00 12.12 H new ATOM 0 HG2 GLN A 67 -20.039 -0.678 -6.065 1.00 73.51 H new ATOM 0 HG3 GLN A 67 -18.385 -0.505 -5.514 1.00 73.51 H new ATOM 0 HE21 GLN A 67 -18.679 -1.999 -3.837 1.00 33.02 H new ATOM 0 HE22 GLN A 67 -19.606 -1.599 -2.387 1.00 33.02 H new ATOM 1002 N LEU A 68 -18.154 3.896 -7.320 1.00 44.12 N ATOM 1003 CA LEU A 68 -18.217 5.302 -7.712 1.00 14.24 C ATOM 1004 C LEU A 68 -17.741 5.472 -9.149 1.00 33.31 C ATOM 1005 O LEU A 68 -18.133 6.412 -9.838 1.00 73.12 O ATOM 1006 CB LEU A 68 -17.374 6.180 -6.775 1.00 33.01 C ATOM 1007 CG LEU A 68 -18.053 6.607 -5.466 1.00 3.21 C ATOM 1008 CD1 LEU A 68 -18.384 5.404 -4.594 1.00 72.23 C ATOM 1009 CD2 LEU A 68 -17.170 7.587 -4.711 1.00 53.15 C ATOM 0 H LEU A 68 -17.313 3.641 -6.803 1.00 44.12 H new ATOM 0 HA LEU A 68 -19.256 5.623 -7.637 1.00 14.24 H new ATOM 0 HB2 LEU A 68 -16.459 5.641 -6.528 1.00 33.01 H new ATOM 0 HB3 LEU A 68 -17.078 7.078 -7.318 1.00 33.01 H new ATOM 0 HG LEU A 68 -18.992 7.100 -5.719 1.00 3.21 H new ATOM 0 HD11 LEU A 68 -18.864 5.742 -3.675 1.00 72.23 H new ATOM 0 HD12 LEU A 68 -19.059 4.739 -5.133 1.00 72.23 H new ATOM 0 HD13 LEU A 68 -17.467 4.869 -4.349 1.00 72.23 H new ATOM 0 HD21 LEU A 68 -17.663 7.882 -3.785 1.00 53.15 H new ATOM 0 HD22 LEU A 68 -16.216 7.113 -4.479 1.00 53.15 H new ATOM 0 HD23 LEU A 68 -16.997 8.470 -5.327 1.00 53.15 H new ATOM 1021 N GLY A 69 -16.909 4.542 -9.601 1.00 31.22 N ATOM 1022 CA GLY A 69 -16.402 4.596 -10.959 1.00 74.41 C ATOM 1023 C GLY A 69 -15.122 5.401 -11.062 1.00 13.35 C ATOM 1024 O GLY A 69 -14.886 6.088 -12.058 1.00 41.12 O ATOM 0 H GLY A 69 -16.576 3.750 -9.051 1.00 31.22 H new ATOM 0 HA2 GLY A 69 -16.222 3.583 -11.318 1.00 74.41 H new ATOM 0 HA3 GLY A 69 -17.158 5.035 -11.610 1.00 74.41 H new ATOM 1028 N VAL A 70 -14.298 5.326 -10.031 1.00 45.50 N ATOM 1029 CA VAL A 70 -13.027 6.030 -10.020 1.00 21.44 C ATOM 1030 C VAL A 70 -11.875 5.054 -9.853 1.00 35.51 C ATOM 1031 O VAL A 70 -12.071 3.916 -9.425 1.00 34.44 O ATOM 1032 CB VAL A 70 -12.963 7.105 -8.912 1.00 24.54 C ATOM 1033 CG1 VAL A 70 -13.908 8.249 -9.229 1.00 3.30 C ATOM 1034 CG2 VAL A 70 -13.292 6.505 -7.556 1.00 75.21 C ATOM 0 H VAL A 70 -14.487 4.783 -9.188 1.00 45.50 H new ATOM 0 HA VAL A 70 -12.939 6.536 -10.981 1.00 21.44 H new ATOM 0 HB VAL A 70 -11.946 7.494 -8.874 1.00 24.54 H new ATOM 0 HG11 VAL A 70 -13.851 8.998 -8.439 1.00 3.30 H new ATOM 0 HG12 VAL A 70 -13.625 8.702 -10.179 1.00 3.30 H new ATOM 0 HG13 VAL A 70 -14.928 7.870 -9.297 1.00 3.30 H new ATOM 0 HG21 VAL A 70 -13.240 7.281 -6.792 1.00 75.21 H new ATOM 0 HG22 VAL A 70 -14.297 6.084 -7.578 1.00 75.21 H new ATOM 0 HG23 VAL A 70 -12.575 5.718 -7.323 1.00 75.21 H new ATOM 1044 N LYS A 71 -10.680 5.502 -10.196 1.00 22.34 N ATOM 1045 CA LYS A 71 -9.504 4.653 -10.135 1.00 52.23 C ATOM 1046 C LYS A 71 -8.497 5.182 -9.120 1.00 51.03 C ATOM 1047 O LYS A 71 -8.554 6.347 -8.711 1.00 15.45 O ATOM 1048 CB LYS A 71 -8.836 4.561 -11.509 1.00 2.03 C ATOM 1049 CG LYS A 71 -8.361 5.905 -12.039 1.00 12.22 C ATOM 1050 CD LYS A 71 -7.240 5.743 -13.052 1.00 12.34 C ATOM 1051 CE LYS A 71 -7.697 5.008 -14.301 1.00 52.32 C ATOM 1052 NZ LYS A 71 -6.573 4.815 -15.253 1.00 20.43 N ATOM 0 H LYS A 71 -10.499 6.452 -10.521 1.00 22.34 H new ATOM 0 HA LYS A 71 -9.831 3.661 -9.823 1.00 52.23 H new ATOM 0 HB2 LYS A 71 -7.986 3.882 -11.447 1.00 2.03 H new ATOM 0 HB3 LYS A 71 -9.540 4.127 -12.219 1.00 2.03 H new ATOM 0 HG2 LYS A 71 -9.197 6.430 -12.501 1.00 12.22 H new ATOM 0 HG3 LYS A 71 -8.016 6.522 -11.210 1.00 12.22 H new ATOM 0 HD2 LYS A 71 -6.859 6.726 -13.330 1.00 12.34 H new ATOM 0 HD3 LYS A 71 -6.414 5.199 -12.594 1.00 12.34 H new ATOM 0 HE2 LYS A 71 -8.113 4.039 -14.024 1.00 52.32 H new ATOM 0 HE3 LYS A 71 -8.495 5.571 -14.786 1.00 52.32 H new ATOM 0 HZ1 LYS A 71 -6.915 4.311 -16.096 1.00 20.43 H new ATOM 0 HZ2 LYS A 71 -6.193 5.741 -15.534 1.00 20.43 H new ATOM 0 HZ3 LYS A 71 -5.823 4.258 -14.796 1.00 20.43 H new ATOM 1066 N ILE A 72 -7.589 4.307 -8.717 1.00 5.41 N ATOM 1067 CA ILE A 72 -6.493 4.662 -7.828 1.00 25.44 C ATOM 1068 C ILE A 72 -5.176 4.133 -8.394 1.00 1.05 C ATOM 1069 O ILE A 72 -5.160 3.447 -9.422 1.00 41.12 O ATOM 1070 CB ILE A 72 -6.681 4.081 -6.403 1.00 51.54 C ATOM 1071 CG1 ILE A 72 -6.499 2.557 -6.404 1.00 4.31 C ATOM 1072 CG2 ILE A 72 -8.052 4.443 -5.850 1.00 71.32 C ATOM 1073 CD1 ILE A 72 -6.512 1.941 -5.021 1.00 24.33 C ATOM 0 H ILE A 72 -7.591 3.327 -8.998 1.00 5.41 H new ATOM 0 HA ILE A 72 -6.479 5.750 -7.758 1.00 25.44 H new ATOM 0 HB ILE A 72 -5.918 4.520 -5.760 1.00 51.54 H new ATOM 0 HG12 ILE A 72 -7.292 2.106 -7.000 1.00 4.31 H new ATOM 0 HG13 ILE A 72 -5.555 2.313 -6.892 1.00 4.31 H new ATOM 0 HG21 ILE A 72 -8.163 4.025 -4.849 1.00 71.32 H new ATOM 0 HG22 ILE A 72 -8.151 5.528 -5.803 1.00 71.32 H new ATOM 0 HG23 ILE A 72 -8.826 4.036 -6.501 1.00 71.32 H new ATOM 0 HD11 ILE A 72 -6.378 0.862 -5.102 1.00 24.33 H new ATOM 0 HD12 ILE A 72 -5.702 2.364 -4.427 1.00 24.33 H new ATOM 0 HD13 ILE A 72 -7.465 2.153 -4.537 1.00 24.33 H new ATOM 1085 N ARG A 73 -4.075 4.449 -7.728 1.00 12.22 N ATOM 1086 CA ARG A 73 -2.788 3.870 -8.079 1.00 21.11 C ATOM 1087 C ARG A 73 -2.461 2.744 -7.108 1.00 13.34 C ATOM 1088 O ARG A 73 -2.683 2.871 -5.904 1.00 24.50 O ATOM 1089 CB ARG A 73 -1.666 4.909 -8.040 1.00 73.01 C ATOM 1090 CG ARG A 73 -1.838 6.070 -9.005 1.00 52.32 C ATOM 1091 CD ARG A 73 -0.543 6.857 -9.127 1.00 21.01 C ATOM 1092 NE ARG A 73 -0.691 8.072 -9.929 1.00 61.42 N ATOM 1093 CZ ARG A 73 -0.121 8.262 -11.121 1.00 72.35 C ATOM 1094 NH1 ARG A 73 0.520 7.266 -11.727 1.00 72.34 N ATOM 1095 NH2 ARG A 73 -0.213 9.442 -11.720 1.00 4.31 N ATOM 0 H ARG A 73 -4.047 5.101 -6.944 1.00 12.22 H new ATOM 0 HA ARG A 73 -2.859 3.490 -9.098 1.00 21.11 H new ATOM 0 HB2 ARG A 73 -1.592 5.305 -7.027 1.00 73.01 H new ATOM 0 HB3 ARG A 73 -0.721 4.411 -8.258 1.00 73.01 H new ATOM 0 HG2 ARG A 73 -2.137 5.696 -9.984 1.00 52.32 H new ATOM 0 HG3 ARG A 73 -2.637 6.725 -8.657 1.00 52.32 H new ATOM 0 HD2 ARG A 73 -0.191 7.125 -8.131 1.00 21.01 H new ATOM 0 HD3 ARG A 73 0.222 6.222 -9.575 1.00 21.01 H new ATOM 0 HE ARG A 73 -1.268 8.824 -9.552 1.00 61.42 H new ATOM 0 HH11 ARG A 73 0.578 6.351 -11.281 1.00 72.34 H new ATOM 0 HH12 ARG A 73 0.953 7.418 -12.638 1.00 72.34 H new ATOM 0 HH21 ARG A 73 -0.719 10.204 -11.270 1.00 4.31 H new ATOM 0 HH22 ARG A 73 0.223 9.587 -12.631 1.00 4.31 H new ATOM 1109 N ILE A 74 -1.941 1.643 -7.625 1.00 61.41 N ATOM 1110 CA ILE A 74 -1.578 0.516 -6.784 1.00 41.21 C ATOM 1111 C ILE A 74 -0.054 0.427 -6.672 1.00 10.51 C ATOM 1112 O ILE A 74 0.655 0.417 -7.678 1.00 24.41 O ATOM 1113 CB ILE A 74 -2.199 -0.804 -7.324 1.00 14.14 C ATOM 1114 CG1 ILE A 74 -1.973 -1.988 -6.362 1.00 53.30 C ATOM 1115 CG2 ILE A 74 -1.674 -1.129 -8.715 1.00 3.34 C ATOM 1116 CD1 ILE A 74 -0.628 -2.680 -6.495 1.00 60.11 C ATOM 0 H ILE A 74 -1.761 1.506 -8.620 1.00 61.41 H new ATOM 0 HA ILE A 74 -1.984 0.669 -5.784 1.00 41.21 H new ATOM 0 HB ILE A 74 -3.275 -0.644 -7.393 1.00 14.14 H new ATOM 0 HG12 ILE A 74 -2.080 -1.629 -5.338 1.00 53.30 H new ATOM 0 HG13 ILE A 74 -2.760 -2.724 -6.526 1.00 53.30 H new ATOM 0 HG21 ILE A 74 -2.125 -2.057 -9.067 1.00 3.34 H new ATOM 0 HG22 ILE A 74 -1.929 -0.319 -9.399 1.00 3.34 H new ATOM 0 HG23 ILE A 74 -0.591 -1.244 -8.677 1.00 3.34 H new ATOM 0 HD11 ILE A 74 -0.567 -3.497 -5.777 1.00 60.11 H new ATOM 0 HD12 ILE A 74 -0.521 -3.076 -7.505 1.00 60.11 H new ATOM 0 HD13 ILE A 74 0.170 -1.964 -6.299 1.00 60.11 H new ATOM 1643 N ARG A 107 -11.210 -5.893 -13.606 1.00 14.35 N ATOM 1644 CA ARG A 107 -10.810 -4.783 -12.756 1.00 34.52 C ATOM 1645 C ARG A 107 -10.579 -3.511 -13.571 1.00 41.15 C ATOM 1646 O ARG A 107 -10.068 -3.551 -14.692 1.00 2.01 O ATOM 1647 CB ARG A 107 -9.561 -5.156 -11.935 1.00 24.44 C ATOM 1648 CG ARG A 107 -8.321 -5.497 -12.753 1.00 4.23 C ATOM 1649 CD ARG A 107 -7.560 -4.259 -13.213 1.00 32.40 C ATOM 1650 NE ARG A 107 -6.442 -4.601 -14.092 1.00 14.42 N ATOM 1651 CZ ARG A 107 -5.728 -3.712 -14.786 1.00 74.04 C ATOM 1652 NH1 ARG A 107 -6.002 -2.413 -14.698 1.00 71.43 N ATOM 1653 NH2 ARG A 107 -4.734 -4.124 -15.568 1.00 22.40 N ATOM 0 HA ARG A 107 -11.625 -4.578 -12.062 1.00 34.52 H new ATOM 0 HB2 ARG A 107 -9.321 -4.325 -11.272 1.00 24.44 H new ATOM 0 HB3 ARG A 107 -9.804 -6.009 -11.302 1.00 24.44 H new ATOM 0 HG2 ARG A 107 -7.659 -6.125 -12.157 1.00 4.23 H new ATOM 0 HG3 ARG A 107 -8.615 -6.082 -13.624 1.00 4.23 H new ATOM 0 HD2 ARG A 107 -8.241 -3.588 -13.736 1.00 32.40 H new ATOM 0 HD3 ARG A 107 -7.186 -3.719 -12.343 1.00 32.40 H new ATOM 0 HE ARG A 107 -6.191 -5.586 -14.181 1.00 14.42 H new ATOM 0 HH11 ARG A 107 -6.761 -2.091 -14.098 1.00 71.43 H new ATOM 0 HH12 ARG A 107 -5.453 -1.739 -15.231 1.00 71.43 H new ATOM 0 HH21 ARG A 107 -4.518 -5.118 -15.637 1.00 22.40 H new ATOM 0 HH22 ARG A 107 -4.188 -3.445 -16.099 1.00 22.40 H new ATOM 1667 N GLY A 108 -10.986 -2.388 -13.006 1.00 32.54 N ATOM 1668 CA GLY A 108 -10.709 -1.099 -13.610 1.00 73.02 C ATOM 1669 C GLY A 108 -10.526 -0.042 -12.548 1.00 43.55 C ATOM 1670 O GLY A 108 -10.693 1.149 -12.799 1.00 23.32 O ATOM 0 H GLY A 108 -11.509 -2.344 -12.131 1.00 32.54 H new ATOM 0 HA2 GLY A 108 -9.811 -1.165 -14.224 1.00 73.02 H new ATOM 0 HA3 GLY A 108 -11.528 -0.818 -14.272 1.00 73.02 H new ATOM 1674 N ILE A 109 -10.171 -0.497 -11.354 1.00 14.02 N ATOM 1675 CA ILE A 109 -10.083 0.374 -10.191 1.00 23.11 C ATOM 1676 C ILE A 109 -8.660 0.851 -9.962 1.00 2.23 C ATOM 1677 O ILE A 109 -8.441 1.896 -9.367 1.00 33.21 O ATOM 1678 CB ILE A 109 -10.557 -0.347 -8.916 1.00 64.40 C ATOM 1679 CG1 ILE A 109 -11.741 -1.271 -9.221 1.00 3.23 C ATOM 1680 CG2 ILE A 109 -10.947 0.680 -7.860 1.00 73.42 C ATOM 1681 CD1 ILE A 109 -12.074 -2.214 -8.087 1.00 63.42 C ATOM 0 H ILE A 109 -9.938 -1.472 -11.165 1.00 14.02 H new ATOM 0 HA ILE A 109 -10.729 1.228 -10.395 1.00 23.11 H new ATOM 0 HB ILE A 109 -9.739 -0.959 -8.537 1.00 64.40 H new ATOM 0 HG12 ILE A 109 -12.617 -0.664 -9.448 1.00 3.23 H new ATOM 0 HG13 ILE A 109 -11.517 -1.854 -10.114 1.00 3.23 H new ATOM 0 HG21 ILE A 109 -11.282 0.166 -6.959 1.00 73.42 H new ATOM 0 HG22 ILE A 109 -10.085 1.303 -7.623 1.00 73.42 H new ATOM 0 HG23 ILE A 109 -11.753 1.306 -8.242 1.00 73.42 H new ATOM 0 HD11 ILE A 109 -12.921 -2.839 -8.370 1.00 63.42 H new ATOM 0 HD12 ILE A 109 -11.212 -2.846 -7.874 1.00 63.42 H new ATOM 0 HD13 ILE A 109 -12.329 -1.638 -7.198 1.00 63.42 H new ATOM 1693 N TYR A 110 -7.690 0.091 -10.425 1.00 52.31 N ATOM 1694 CA TYR A 110 -6.306 0.444 -10.179 1.00 54.11 C ATOM 1695 C TYR A 110 -5.501 0.442 -11.466 1.00 24.24 C ATOM 1696 O TYR A 110 -5.755 -0.351 -12.376 1.00 5.42 O ATOM 1697 CB TYR A 110 -5.675 -0.511 -9.153 1.00 34.31 C ATOM 1698 CG TYR A 110 -5.582 -1.958 -9.605 1.00 70.11 C ATOM 1699 CD1 TYR A 110 -4.495 -2.406 -10.345 1.00 60.55 C ATOM 1700 CD2 TYR A 110 -6.579 -2.873 -9.289 1.00 23.32 C ATOM 1701 CE1 TYR A 110 -4.402 -3.719 -10.757 1.00 61.21 C ATOM 1702 CE2 TYR A 110 -6.491 -4.192 -9.696 1.00 25.13 C ATOM 1703 CZ TYR A 110 -5.401 -4.608 -10.431 1.00 71.11 C ATOM 1704 OH TYR A 110 -5.314 -5.917 -10.848 1.00 63.52 O ATOM 0 H TYR A 110 -7.829 -0.763 -10.966 1.00 52.31 H new ATOM 0 HA TYR A 110 -6.290 1.454 -9.771 1.00 54.11 H new ATOM 0 HB2 TYR A 110 -4.673 -0.154 -8.913 1.00 34.31 H new ATOM 0 HB3 TYR A 110 -6.257 -0.469 -8.232 1.00 34.31 H new ATOM 0 HD1 TYR A 110 -3.708 -1.713 -10.603 1.00 60.55 H new ATOM 0 HD2 TYR A 110 -7.436 -2.549 -8.717 1.00 23.32 H new ATOM 0 HE1 TYR A 110 -3.549 -4.048 -11.333 1.00 61.21 H new ATOM 0 HE2 TYR A 110 -7.272 -4.892 -9.439 1.00 25.13 H new ATOM 0 HH TYR A 110 -6.099 -6.413 -10.534 1.00 63.52 H new ATOM 1714 N SER A 111 -4.542 1.347 -11.531 1.00 52.31 N ATOM 1715 CA SER A 111 -3.572 1.375 -12.609 1.00 75.33 C ATOM 1716 C SER A 111 -2.185 1.149 -12.019 1.00 42.54 C ATOM 1717 O SER A 111 -1.825 1.781 -11.020 1.00 53.33 O ATOM 1718 CB SER A 111 -3.627 2.724 -13.334 1.00 52.43 C ATOM 1719 OG SER A 111 -4.951 3.040 -13.739 1.00 42.00 O ATOM 0 H SER A 111 -4.414 2.084 -10.837 1.00 52.31 H new ATOM 0 HA SER A 111 -3.798 0.591 -13.332 1.00 75.33 H new ATOM 0 HB2 SER A 111 -3.249 3.508 -12.677 1.00 52.43 H new ATOM 0 HB3 SER A 111 -2.974 2.697 -14.207 1.00 52.43 H new ATOM 0 HG SER A 111 -5.182 2.519 -14.536 1.00 42.00 H new ATOM 1725 N PHE A 112 -1.418 0.242 -12.604 1.00 22.44 N ATOM 1726 CA PHE A 112 -0.095 -0.058 -12.081 1.00 34.31 C ATOM 1727 C PHE A 112 0.984 0.470 -13.011 1.00 42.40 C ATOM 1728 O PHE A 112 0.912 0.295 -14.229 1.00 42.50 O ATOM 1729 CB PHE A 112 0.067 -1.571 -11.894 1.00 13.24 C ATOM 1730 CG PHE A 112 1.413 -1.978 -11.361 1.00 15.11 C ATOM 1731 CD1 PHE A 112 1.702 -1.864 -10.011 1.00 3.33 C ATOM 1732 CD2 PHE A 112 2.388 -2.472 -12.213 1.00 51.51 C ATOM 1733 CE1 PHE A 112 2.940 -2.236 -9.522 1.00 73.34 C ATOM 1734 CE2 PHE A 112 3.626 -2.845 -11.730 1.00 51.23 C ATOM 1735 CZ PHE A 112 3.903 -2.727 -10.382 1.00 3.43 C ATOM 0 H PHE A 112 -1.684 -0.293 -13.431 1.00 22.44 H new ATOM 0 HA PHE A 112 0.012 0.434 -11.114 1.00 34.31 H new ATOM 0 HB2 PHE A 112 -0.706 -1.928 -11.213 1.00 13.24 H new ATOM 0 HB3 PHE A 112 -0.099 -2.065 -12.851 1.00 13.24 H new ATOM 0 HD1 PHE A 112 0.953 -1.481 -9.334 1.00 3.33 H new ATOM 0 HD2 PHE A 112 2.177 -2.566 -13.268 1.00 51.51 H new ATOM 0 HE1 PHE A 112 3.154 -2.143 -8.468 1.00 73.34 H new ATOM 0 HE2 PHE A 112 4.377 -3.228 -12.405 1.00 51.23 H new ATOM 0 HZ PHE A 112 4.871 -3.018 -10.001 1.00 3.43 H new ATOM 1745 N GLU A 113 1.990 1.100 -12.423 1.00 12.41 N ATOM 1746 CA GLU A 113 3.141 1.599 -13.159 1.00 52.51 C ATOM 1747 C GLU A 113 4.367 1.520 -12.267 1.00 25.24 C ATOM 1748 O GLU A 113 4.375 2.093 -11.178 1.00 20.24 O ATOM 1749 CB GLU A 113 2.935 3.054 -13.605 1.00 72.14 C ATOM 1750 CG GLU A 113 1.822 3.246 -14.620 1.00 4.13 C ATOM 1751 CD GLU A 113 1.694 4.683 -15.073 1.00 53.12 C ATOM 1752 OE1 GLU A 113 2.377 5.067 -16.050 1.00 23.40 O ATOM 1753 OE2 GLU A 113 0.911 5.435 -14.459 1.00 42.55 O ATOM 0 H GLU A 113 2.031 1.280 -11.420 1.00 12.41 H new ATOM 0 HA GLU A 113 3.272 0.986 -14.051 1.00 52.51 H new ATOM 0 HB2 GLU A 113 2.719 3.663 -12.727 1.00 72.14 H new ATOM 0 HB3 GLU A 113 3.867 3.426 -14.031 1.00 72.14 H new ATOM 0 HG2 GLU A 113 2.010 2.611 -15.486 1.00 4.13 H new ATOM 0 HG3 GLU A 113 0.877 2.920 -14.185 1.00 4.13 H new ATOM 1760 N LYS A 114 5.394 0.810 -12.706 1.00 62.41 N ATOM 1761 CA LYS A 114 6.623 0.745 -11.939 1.00 64.03 C ATOM 1762 C LYS A 114 7.428 2.020 -12.155 1.00 61.44 C ATOM 1763 O LYS A 114 8.364 2.062 -12.959 1.00 21.35 O ATOM 1764 CB LYS A 114 7.457 -0.483 -12.314 1.00 62.42 C ATOM 1765 CG LYS A 114 8.655 -0.692 -11.400 1.00 30.13 C ATOM 1766 CD LYS A 114 9.514 -1.863 -11.846 1.00 52.54 C ATOM 1767 CE LYS A 114 10.685 -2.075 -10.900 1.00 52.40 C ATOM 1768 NZ LYS A 114 11.595 -3.150 -11.371 1.00 11.51 N ATOM 0 H LYS A 114 5.401 0.279 -13.577 1.00 62.41 H new ATOM 0 HA LYS A 114 6.363 0.653 -10.884 1.00 64.03 H new ATOM 0 HB2 LYS A 114 6.823 -1.369 -12.281 1.00 62.42 H new ATOM 0 HB3 LYS A 114 7.805 -0.378 -13.342 1.00 62.42 H new ATOM 0 HG2 LYS A 114 9.260 0.215 -11.382 1.00 30.13 H new ATOM 0 HG3 LYS A 114 8.308 -0.864 -10.381 1.00 30.13 H new ATOM 0 HD2 LYS A 114 8.908 -2.768 -11.887 1.00 52.54 H new ATOM 0 HD3 LYS A 114 9.886 -1.682 -12.855 1.00 52.54 H new ATOM 0 HE2 LYS A 114 11.244 -1.145 -10.801 1.00 52.40 H new ATOM 0 HE3 LYS A 114 10.309 -2.327 -9.909 1.00 52.40 H new ATOM 0 HZ1 LYS A 114 12.379 -3.261 -10.697 1.00 11.51 H new ATOM 0 HZ2 LYS A 114 11.069 -4.044 -11.441 1.00 11.51 H new ATOM 0 HZ3 LYS A 114 11.975 -2.898 -12.306 1.00 11.51 H new ATOM 1782 N VAL A 115 7.025 3.076 -11.466 1.00 71.43 N ATOM 1783 CA VAL A 115 7.691 4.357 -11.579 1.00 75.13 C ATOM 1784 C VAL A 115 8.519 4.648 -10.334 1.00 60.24 C ATOM 1785 O VAL A 115 8.012 4.647 -9.208 1.00 21.42 O ATOM 1786 CB VAL A 115 6.684 5.507 -11.842 1.00 2.35 C ATOM 1787 CG1 VAL A 115 5.596 5.559 -10.777 1.00 4.21 C ATOM 1788 CG2 VAL A 115 7.402 6.847 -11.946 1.00 70.11 C ATOM 0 H VAL A 115 6.235 3.067 -10.820 1.00 71.43 H new ATOM 0 HA VAL A 115 8.360 4.300 -12.438 1.00 75.13 H new ATOM 0 HB VAL A 115 6.200 5.302 -12.797 1.00 2.35 H new ATOM 0 HG11 VAL A 115 4.911 6.378 -10.997 1.00 4.21 H new ATOM 0 HG12 VAL A 115 5.047 4.617 -10.772 1.00 4.21 H new ATOM 0 HG13 VAL A 115 6.051 5.719 -9.800 1.00 4.21 H new ATOM 0 HG21 VAL A 115 6.674 7.637 -12.131 1.00 70.11 H new ATOM 0 HG22 VAL A 115 7.929 7.050 -11.014 1.00 70.11 H new ATOM 0 HG23 VAL A 115 8.117 6.814 -12.768 1.00 70.11 H new ATOM 1798 N LYS A 116 9.804 4.859 -10.539 1.00 61.31 N ATOM 1799 CA LYS A 116 10.695 5.198 -9.451 1.00 24.02 C ATOM 1800 C LYS A 116 10.516 6.669 -9.101 1.00 14.41 C ATOM 1801 O LYS A 116 10.709 7.546 -9.947 1.00 24.21 O ATOM 1802 CB LYS A 116 12.150 4.901 -9.846 1.00 64.41 C ATOM 1803 CG LYS A 116 13.104 4.756 -8.664 1.00 42.03 C ATOM 1804 CD LYS A 116 13.362 6.082 -7.965 1.00 2.01 C ATOM 1805 CE LYS A 116 14.088 5.886 -6.647 1.00 23.42 C ATOM 1806 NZ LYS A 116 13.336 4.991 -5.726 1.00 2.04 N ATOM 0 H LYS A 116 10.254 4.801 -11.453 1.00 61.31 H new ATOM 0 HA LYS A 116 10.455 4.594 -8.576 1.00 24.02 H new ATOM 0 HB2 LYS A 116 12.175 3.983 -10.433 1.00 64.41 H new ATOM 0 HB3 LYS A 116 12.510 5.702 -10.492 1.00 64.41 H new ATOM 0 HG2 LYS A 116 12.688 4.046 -7.949 1.00 42.03 H new ATOM 0 HG3 LYS A 116 14.050 4.341 -9.012 1.00 42.03 H new ATOM 0 HD2 LYS A 116 13.953 6.727 -8.614 1.00 2.01 H new ATOM 0 HD3 LYS A 116 12.415 6.591 -7.787 1.00 2.01 H new ATOM 0 HE2 LYS A 116 15.076 5.465 -6.836 1.00 23.42 H new ATOM 0 HE3 LYS A 116 14.240 6.854 -6.169 1.00 23.42 H new ATOM 0 HZ1 LYS A 116 13.627 5.179 -4.745 1.00 2.04 H new ATOM 0 HZ2 LYS A 116 12.316 5.169 -5.825 1.00 2.04 H new ATOM 0 HZ3 LYS A 116 13.539 3.999 -5.963 1.00 2.04 H new ATOM 1820 N ALA A 117 10.129 6.936 -7.862 1.00 44.01 N ATOM 1821 CA ALA A 117 9.935 8.300 -7.407 1.00 33.32 C ATOM 1822 C ALA A 117 11.273 9.017 -7.294 1.00 53.24 C ATOM 1823 O ALA A 117 12.025 8.810 -6.346 1.00 4.22 O ATOM 1824 CB ALA A 117 9.195 8.326 -6.077 1.00 61.14 C ATOM 0 H ALA A 117 9.944 6.224 -7.156 1.00 44.01 H new ATOM 0 HA ALA A 117 9.325 8.824 -8.142 1.00 33.32 H new ATOM 0 HB1 ALA A 117 9.061 9.359 -5.755 1.00 61.14 H new ATOM 0 HB2 ALA A 117 8.220 7.853 -6.194 1.00 61.14 H new ATOM 0 HB3 ALA A 117 9.773 7.785 -5.328 1.00 61.14 H new ATOM 1830 N HIS A 118 11.574 9.831 -8.294 1.00 31.51 N ATOM 1831 CA HIS A 118 12.814 10.600 -8.318 1.00 21.40 C ATOM 1832 C HIS A 118 12.489 12.084 -8.271 1.00 3.25 C ATOM 1833 O HIS A 118 13.342 12.930 -8.521 1.00 12.10 O ATOM 1834 CB HIS A 118 13.640 10.278 -9.577 1.00 24.01 C ATOM 1835 CG HIS A 118 12.946 10.586 -10.876 1.00 14.40 C ATOM 1836 ND1 HIS A 118 13.041 11.805 -11.514 1.00 70.01 N ATOM 1837 CD2 HIS A 118 12.154 9.818 -11.664 1.00 45.42 C ATOM 1838 CE1 HIS A 118 12.341 11.770 -12.633 1.00 60.42 C ATOM 1839 NE2 HIS A 118 11.793 10.578 -12.748 1.00 31.53 N ATOM 0 H HIS A 118 10.974 9.978 -9.106 1.00 31.51 H new ATOM 0 HA HIS A 118 13.410 10.328 -7.447 1.00 21.40 H new ATOM 0 HB2 HIS A 118 14.573 10.839 -9.537 1.00 24.01 H new ATOM 0 HB3 HIS A 118 13.903 9.220 -9.562 1.00 24.01 H new ATOM 0 HD2 HIS A 118 11.861 8.796 -11.474 1.00 45.42 H new ATOM 0 HE1 HIS A 118 12.235 12.583 -13.336 1.00 60.42 H new ATOM 0 HE2 HIS A 118 11.198 10.270 -13.517 1.00 31.53 H new ATOM 1848 N SER A 119 11.242 12.385 -7.948 1.00 32.13 N ATOM 1849 CA SER A 119 10.765 13.755 -7.942 1.00 73.21 C ATOM 1850 C SER A 119 11.331 14.533 -6.759 1.00 41.03 C ATOM 1851 O SER A 119 11.533 15.748 -6.845 1.00 34.52 O ATOM 1852 CB SER A 119 9.241 13.761 -7.895 1.00 52.32 C ATOM 1853 OG SER A 119 8.710 12.916 -8.901 1.00 12.00 O ATOM 0 H SER A 119 10.540 11.694 -7.685 1.00 32.13 H new ATOM 0 HA SER A 119 11.106 14.244 -8.855 1.00 73.21 H new ATOM 0 HB2 SER A 119 8.900 13.428 -6.915 1.00 52.32 H new ATOM 0 HB3 SER A 119 8.871 14.777 -8.033 1.00 52.32 H new ATOM 0 HG SER A 119 7.731 12.929 -8.856 1.00 12.00 H new ATOM 1859 N GLY A 120 11.605 13.828 -5.667 1.00 61.01 N ATOM 1860 CA GLY A 120 12.060 14.484 -4.460 1.00 72.14 C ATOM 1861 C GLY A 120 10.989 15.381 -3.884 1.00 35.30 C ATOM 1862 O GLY A 120 11.253 16.523 -3.506 1.00 1.35 O ATOM 0 H GLY A 120 11.519 12.814 -5.598 1.00 61.01 H new ATOM 0 HA2 GLY A 120 12.345 13.734 -3.722 1.00 72.14 H new ATOM 0 HA3 GLY A 120 12.951 15.072 -4.677 1.00 72.14 H new ATOM 1866 N ASN A 121 9.772 14.863 -3.844 1.00 33.53 N ATOM 1867 CA ASN A 121 8.628 15.620 -3.360 1.00 0.21 C ATOM 1868 C ASN A 121 8.369 15.282 -1.889 1.00 63.43 C ATOM 1869 O ASN A 121 9.055 14.434 -1.319 1.00 0.53 O ATOM 1870 CB ASN A 121 7.397 15.306 -4.233 1.00 31.44 C ATOM 1871 CG ASN A 121 6.195 16.176 -3.915 1.00 24.33 C ATOM 1872 OD1 ASN A 121 6.336 17.297 -3.429 1.00 61.13 O ATOM 1873 ND2 ASN A 121 5.009 15.673 -4.204 1.00 1.02 N ATOM 0 H ASN A 121 9.550 13.914 -4.143 1.00 33.53 H new ATOM 0 HA ASN A 121 8.833 16.688 -3.430 1.00 0.21 H new ATOM 0 HB2 ASN A 121 7.662 15.435 -5.282 1.00 31.44 H new ATOM 0 HB3 ASN A 121 7.124 14.259 -4.100 1.00 31.44 H new ATOM 0 HD21 ASN A 121 4.166 16.219 -4.025 1.00 1.02 H new ATOM 0 HD22 ASN A 121 4.936 14.739 -4.606 1.00 1.02 H new ATOM 1880 N GLU A 122 7.383 15.945 -1.294 1.00 42.24 N ATOM 1881 CA GLU A 122 7.029 15.772 0.114 1.00 70.22 C ATOM 1882 C GLU A 122 6.951 14.301 0.512 1.00 21.20 C ATOM 1883 O GLU A 122 7.681 13.845 1.390 1.00 51.22 O ATOM 1884 CB GLU A 122 5.688 16.452 0.376 1.00 44.23 C ATOM 1885 CG GLU A 122 5.239 16.407 1.824 1.00 2.32 C ATOM 1886 CD GLU A 122 3.899 17.079 2.020 1.00 64.41 C ATOM 1887 OE1 GLU A 122 3.829 18.319 1.895 1.00 32.35 O ATOM 1888 OE2 GLU A 122 2.908 16.375 2.295 1.00 52.43 O ATOM 0 H GLU A 122 6.799 16.626 -1.780 1.00 42.24 H new ATOM 0 HA GLU A 122 7.813 16.228 0.719 1.00 70.22 H new ATOM 0 HB2 GLU A 122 5.754 17.493 0.060 1.00 44.23 H new ATOM 0 HB3 GLU A 122 4.926 15.978 -0.243 1.00 44.23 H new ATOM 0 HG2 GLU A 122 5.176 15.370 2.153 1.00 2.32 H new ATOM 0 HG3 GLU A 122 5.985 16.895 2.451 1.00 2.32 H new ATOM 1895 N PHE A 123 6.072 13.565 -0.153 1.00 12.22 N ATOM 1896 CA PHE A 123 5.864 12.149 0.145 1.00 23.34 C ATOM 1897 C PHE A 123 7.128 11.327 -0.101 1.00 62.20 C ATOM 1898 O PHE A 123 7.337 10.290 0.528 1.00 74.03 O ATOM 1899 CB PHE A 123 4.711 11.594 -0.695 1.00 41.20 C ATOM 1900 CG PHE A 123 3.363 12.153 -0.323 1.00 23.33 C ATOM 1901 CD1 PHE A 123 2.935 13.372 -0.828 1.00 23.01 C ATOM 1902 CD2 PHE A 123 2.523 11.454 0.531 1.00 12.22 C ATOM 1903 CE1 PHE A 123 1.696 13.882 -0.487 1.00 31.21 C ATOM 1904 CE2 PHE A 123 1.284 11.961 0.874 1.00 62.10 C ATOM 1905 CZ PHE A 123 0.870 13.175 0.364 1.00 73.41 C ATOM 0 H PHE A 123 5.487 13.925 -0.907 1.00 12.22 H new ATOM 0 HA PHE A 123 5.613 12.070 1.203 1.00 23.34 H new ATOM 0 HB2 PHE A 123 4.905 11.807 -1.746 1.00 41.20 H new ATOM 0 HB3 PHE A 123 4.686 10.509 -0.589 1.00 41.20 H new ATOM 0 HD1 PHE A 123 3.577 13.929 -1.495 1.00 23.01 H new ATOM 0 HD2 PHE A 123 2.841 10.503 0.932 1.00 12.22 H new ATOM 0 HE1 PHE A 123 1.374 14.833 -0.886 1.00 31.21 H new ATOM 0 HE2 PHE A 123 0.640 11.407 1.541 1.00 62.10 H new ATOM 0 HZ PHE A 123 -0.099 13.571 0.630 1.00 73.41 H new ATOM 1915 N ASN A 124 7.973 11.811 -1.000 1.00 21.11 N ATOM 1916 CA ASN A 124 9.199 11.111 -1.369 1.00 23.24 C ATOM 1917 C ASN A 124 10.198 11.173 -0.215 1.00 15.02 C ATOM 1918 O ASN A 124 10.759 10.156 0.192 1.00 45.40 O ATOM 1919 CB ASN A 124 9.803 11.761 -2.621 1.00 72.21 C ATOM 1920 CG ASN A 124 10.836 10.907 -3.337 1.00 42.02 C ATOM 1921 OD1 ASN A 124 10.940 10.963 -4.563 1.00 64.21 O ATOM 1922 ND2 ASN A 124 11.604 10.119 -2.598 1.00 71.32 N ATOM 0 H ASN A 124 7.832 12.693 -1.492 1.00 21.11 H new ATOM 0 HA ASN A 124 8.970 10.067 -1.582 1.00 23.24 H new ATOM 0 HB2 ASN A 124 8.998 11.996 -3.318 1.00 72.21 H new ATOM 0 HB3 ASN A 124 10.265 12.707 -2.337 1.00 72.21 H new ATOM 0 HD21 ASN A 124 12.310 9.532 -3.043 1.00 71.32 H new ATOM 0 HD22 ASN A 124 11.489 10.099 -1.585 1.00 71.32 H new ATOM 1929 N ASP A 125 10.420 12.373 0.300 1.00 15.43 N ATOM 1930 CA ASP A 125 11.347 12.570 1.409 1.00 44.23 C ATOM 1931 C ASP A 125 10.732 12.104 2.724 1.00 4.04 C ATOM 1932 O ASP A 125 11.450 11.728 3.654 1.00 55.25 O ATOM 1933 CB ASP A 125 11.771 14.036 1.516 1.00 72.02 C ATOM 1934 CG ASP A 125 12.616 14.491 0.340 1.00 21.42 C ATOM 1935 OD1 ASP A 125 13.794 14.078 0.252 1.00 72.41 O ATOM 1936 OD2 ASP A 125 12.112 15.271 -0.493 1.00 54.44 O ATOM 0 H ASP A 125 9.971 13.227 -0.031 1.00 15.43 H new ATOM 0 HA ASP A 125 12.233 11.968 1.209 1.00 44.23 H new ATOM 0 HB2 ASP A 125 10.882 14.663 1.583 1.00 72.02 H new ATOM 0 HB3 ASP A 125 12.333 14.181 2.439 1.00 72.02 H new ATOM 1941 N TYR A 126 9.403 12.128 2.803 1.00 70.30 N ATOM 1942 CA TYR A 126 8.708 11.710 4.013 1.00 5.32 C ATOM 1943 C TYR A 126 8.972 10.239 4.317 1.00 25.31 C ATOM 1944 O TYR A 126 9.310 9.893 5.447 1.00 22.04 O ATOM 1945 CB TYR A 126 7.200 11.953 3.906 1.00 52.32 C ATOM 1946 CG TYR A 126 6.450 11.573 5.164 1.00 32.15 C ATOM 1947 CD1 TYR A 126 6.547 12.350 6.310 1.00 40.41 C ATOM 1948 CD2 TYR A 126 5.658 10.430 5.211 1.00 72.03 C ATOM 1949 CE1 TYR A 126 5.881 12.001 7.469 1.00 63.21 C ATOM 1950 CE2 TYR A 126 4.985 10.077 6.365 1.00 33.32 C ATOM 1951 CZ TYR A 126 5.101 10.864 7.492 1.00 21.22 C ATOM 1952 OH TYR A 126 4.441 10.505 8.646 1.00 22.24 O ATOM 0 H TYR A 126 8.791 12.431 2.046 1.00 70.30 H new ATOM 0 HA TYR A 126 9.098 12.315 4.831 1.00 5.32 H new ATOM 0 HB2 TYR A 126 7.022 13.006 3.687 1.00 52.32 H new ATOM 0 HB3 TYR A 126 6.804 11.381 3.067 1.00 52.32 H new ATOM 0 HD1 TYR A 126 7.154 13.243 6.295 1.00 40.41 H new ATOM 0 HD2 TYR A 126 5.568 9.809 4.332 1.00 72.03 H new ATOM 0 HE1 TYR A 126 5.971 12.616 8.353 1.00 63.21 H new ATOM 0 HE2 TYR A 126 4.371 9.189 6.385 1.00 33.32 H new ATOM 0 HH TYR A 126 3.731 9.865 8.431 1.00 22.24 H new ATOM 1962 N VAL A 127 8.823 9.380 3.312 1.00 54.44 N ATOM 1963 CA VAL A 127 9.029 7.946 3.506 1.00 2.51 C ATOM 1964 C VAL A 127 10.494 7.653 3.848 1.00 12.14 C ATOM 1965 O VAL A 127 10.795 6.728 4.603 1.00 30.53 O ATOM 1966 CB VAL A 127 8.585 7.124 2.269 1.00 64.01 C ATOM 1967 CG1 VAL A 127 9.410 7.465 1.040 1.00 24.04 C ATOM 1968 CG2 VAL A 127 8.645 5.631 2.564 1.00 53.51 C ATOM 0 H VAL A 127 8.563 9.648 2.363 1.00 54.44 H new ATOM 0 HA VAL A 127 8.403 7.639 4.344 1.00 2.51 H new ATOM 0 HB VAL A 127 7.551 7.392 2.052 1.00 64.01 H new ATOM 0 HG11 VAL A 127 9.068 6.868 0.195 1.00 24.04 H new ATOM 0 HG12 VAL A 127 9.295 8.523 0.807 1.00 24.04 H new ATOM 0 HG13 VAL A 127 10.460 7.249 1.235 1.00 24.04 H new ATOM 0 HG21 VAL A 127 8.329 5.073 1.682 1.00 53.51 H new ATOM 0 HG22 VAL A 127 9.666 5.352 2.824 1.00 53.51 H new ATOM 0 HG23 VAL A 127 7.982 5.398 3.397 1.00 53.51 H new ATOM 1978 N ASP A 128 11.392 8.474 3.311 1.00 22.15 N ATOM 1979 CA ASP A 128 12.817 8.375 3.612 1.00 22.41 C ATOM 1980 C ASP A 128 13.043 8.601 5.104 1.00 3.53 C ATOM 1981 O ASP A 128 13.684 7.799 5.781 1.00 72.25 O ATOM 1982 CB ASP A 128 13.590 9.419 2.795 1.00 54.24 C ATOM 1983 CG ASP A 128 15.097 9.298 2.931 1.00 40.35 C ATOM 1984 OD1 ASP A 128 15.644 9.717 3.974 1.00 2.31 O ATOM 1985 OD2 ASP A 128 15.742 8.815 1.972 1.00 0.33 O ATOM 0 H ASP A 128 11.155 9.222 2.659 1.00 22.15 H new ATOM 0 HA ASP A 128 13.177 7.381 3.347 1.00 22.41 H new ATOM 0 HB2 ASP A 128 13.319 9.320 1.744 1.00 54.24 H new ATOM 0 HB3 ASP A 128 13.283 10.416 3.111 1.00 54.24 H new ATOM 1990 N MET A 129 12.474 9.691 5.611 1.00 31.33 N ATOM 1991 CA MET A 129 12.585 10.041 7.024 1.00 2.50 C ATOM 1992 C MET A 129 11.813 9.041 7.888 1.00 10.40 C ATOM 1993 O MET A 129 12.209 8.738 9.015 1.00 71.23 O ATOM 1994 CB MET A 129 12.051 11.460 7.260 1.00 42.44 C ATOM 1995 CG MET A 129 12.204 11.948 8.694 1.00 1.24 C ATOM 1996 SD MET A 129 11.494 13.587 8.945 1.00 31.00 S ATOM 1997 CE MET A 129 9.751 13.244 8.699 1.00 11.35 C ATOM 0 H MET A 129 11.927 10.352 5.059 1.00 31.33 H new ATOM 0 HA MET A 129 13.637 10.005 7.307 1.00 2.50 H new ATOM 0 HB2 MET A 129 12.572 12.149 6.595 1.00 42.44 H new ATOM 0 HB3 MET A 129 10.996 11.490 6.987 1.00 42.44 H new ATOM 0 HG2 MET A 129 11.723 11.240 9.369 1.00 1.24 H new ATOM 0 HG3 MET A 129 13.262 11.970 8.956 1.00 1.24 H new ATOM 0 HE1 MET A 129 9.173 13.704 9.501 1.00 11.35 H new ATOM 0 HE2 MET A 129 9.431 13.653 7.740 1.00 11.35 H new ATOM 0 HE3 MET A 129 9.588 12.166 8.706 1.00 11.35 H new ATOM 2007 N LYS A 130 10.714 8.531 7.341 1.00 34.11 N ATOM 2008 CA LYS A 130 9.874 7.561 8.034 1.00 43.23 C ATOM 2009 C LYS A 130 10.676 6.295 8.343 1.00 23.22 C ATOM 2010 O LYS A 130 10.683 5.809 9.474 1.00 53.31 O ATOM 2011 CB LYS A 130 8.659 7.219 7.165 1.00 55.21 C ATOM 2012 CG LYS A 130 7.480 6.633 7.928 1.00 5.35 C ATOM 2013 CD LYS A 130 6.795 7.678 8.794 1.00 53.13 C ATOM 2014 CE LYS A 130 5.494 7.151 9.385 1.00 21.02 C ATOM 2015 NZ LYS A 130 4.763 8.195 10.148 1.00 61.21 N ATOM 0 H LYS A 130 10.382 8.777 6.409 1.00 34.11 H new ATOM 0 HA LYS A 130 9.530 7.992 8.974 1.00 43.23 H new ATOM 0 HB2 LYS A 130 8.330 8.123 6.652 1.00 55.21 H new ATOM 0 HB3 LYS A 130 8.966 6.510 6.396 1.00 55.21 H new ATOM 0 HG2 LYS A 130 6.761 6.217 7.223 1.00 5.35 H new ATOM 0 HG3 LYS A 130 7.825 5.810 8.555 1.00 5.35 H new ATOM 0 HD2 LYS A 130 7.465 7.980 9.599 1.00 53.13 H new ATOM 0 HD3 LYS A 130 6.591 8.568 8.198 1.00 53.13 H new ATOM 0 HE2 LYS A 130 4.858 6.776 8.583 1.00 21.02 H new ATOM 0 HE3 LYS A 130 5.710 6.308 10.041 1.00 21.02 H new ATOM 0 HZ1 LYS A 130 3.754 7.947 10.197 1.00 61.21 H new ATOM 0 HZ2 LYS A 130 5.152 8.258 11.111 1.00 61.21 H new ATOM 0 HZ3 LYS A 130 4.871 9.113 9.671 1.00 61.21 H new ATOM 2029 N ALA A 131 11.373 5.782 7.332 1.00 65.23 N ATOM 2030 CA ALA A 131 12.203 4.595 7.498 1.00 22.25 C ATOM 2031 C ALA A 131 13.428 4.908 8.350 1.00 65.22 C ATOM 2032 O ALA A 131 13.910 4.058 9.099 1.00 40.14 O ATOM 2033 CB ALA A 131 12.623 4.045 6.142 1.00 34.25 C ATOM 0 H ALA A 131 11.378 6.171 6.389 1.00 65.23 H new ATOM 0 HA ALA A 131 11.614 3.835 8.012 1.00 22.25 H new ATOM 0 HB1 ALA A 131 13.242 3.159 6.285 1.00 34.25 H new ATOM 0 HB2 ALA A 131 11.736 3.779 5.567 1.00 34.25 H new ATOM 0 HB3 ALA A 131 13.192 4.802 5.603 1.00 34.25 H new ATOM 2039 N LYS A 132 13.913 6.140 8.234 1.00 23.13 N ATOM 2040 CA LYS A 132 15.059 6.605 9.008 1.00 32.31 C ATOM 2041 C LYS A 132 14.794 6.426 10.505 1.00 42.22 C ATOM 2042 O LYS A 132 15.637 5.917 11.246 1.00 3.51 O ATOM 2043 CB LYS A 132 15.319 8.082 8.693 1.00 62.35 C ATOM 2044 CG LYS A 132 16.677 8.598 9.141 1.00 33.34 C ATOM 2045 CD LYS A 132 17.800 7.955 8.347 1.00 62.21 C ATOM 2046 CE LYS A 132 19.114 8.697 8.527 1.00 63.32 C ATOM 2047 NZ LYS A 132 19.044 10.088 8.000 1.00 53.12 N ATOM 0 H LYS A 132 13.525 6.842 7.604 1.00 23.13 H new ATOM 0 HA LYS A 132 15.937 6.017 8.739 1.00 32.31 H new ATOM 0 HB2 LYS A 132 15.225 8.232 7.617 1.00 62.35 H new ATOM 0 HB3 LYS A 132 14.543 8.683 9.167 1.00 62.35 H new ATOM 0 HG2 LYS A 132 16.716 9.680 9.019 1.00 33.34 H new ATOM 0 HG3 LYS A 132 16.815 8.392 10.202 1.00 33.34 H new ATOM 0 HD2 LYS A 132 17.921 6.919 8.663 1.00 62.21 H new ATOM 0 HD3 LYS A 132 17.534 7.937 7.290 1.00 62.21 H new ATOM 0 HE2 LYS A 132 19.374 8.723 9.585 1.00 63.32 H new ATOM 0 HE3 LYS A 132 19.910 8.155 8.016 1.00 63.32 H new ATOM 0 HZ1 LYS A 132 20.005 10.436 7.810 1.00 53.12 H new ATOM 0 HZ2 LYS A 132 18.491 10.098 7.119 1.00 53.12 H new ATOM 0 HZ3 LYS A 132 18.586 10.703 8.703 1.00 53.12 H new ATOM 2061 N SER A 133 13.601 6.824 10.929 1.00 23.52 N ATOM 2062 CA SER A 133 13.201 6.713 12.323 1.00 62.14 C ATOM 2063 C SER A 133 12.869 5.263 12.680 1.00 22.43 C ATOM 2064 O SER A 133 13.172 4.803 13.782 1.00 23.04 O ATOM 2065 CB SER A 133 11.994 7.622 12.584 1.00 5.20 C ATOM 2066 OG SER A 133 11.606 7.604 13.950 1.00 14.22 O ATOM 0 H SER A 133 12.890 7.229 10.321 1.00 23.52 H new ATOM 0 HA SER A 133 14.031 7.030 12.954 1.00 62.14 H new ATOM 0 HB2 SER A 133 12.237 8.643 12.289 1.00 5.20 H new ATOM 0 HB3 SER A 133 11.157 7.301 11.964 1.00 5.20 H new ATOM 0 HG SER A 133 10.835 8.196 14.079 1.00 14.22 H new ATOM 2072 N ALA A 134 12.284 4.541 11.728 1.00 31.20 N ATOM 2073 CA ALA A 134 11.853 3.161 11.956 1.00 41.20 C ATOM 2074 C ALA A 134 13.039 2.230 12.195 1.00 10.11 C ATOM 2075 O ALA A 134 12.911 1.215 12.880 1.00 14.00 O ATOM 2076 CB ALA A 134 11.023 2.670 10.778 1.00 4.14 C ATOM 0 H ALA A 134 12.096 4.888 10.788 1.00 31.20 H new ATOM 0 HA ALA A 134 11.240 3.149 12.857 1.00 41.20 H new ATOM 0 HB1 ALA A 134 10.708 1.642 10.958 1.00 4.14 H new ATOM 0 HB2 ALA A 134 10.144 3.304 10.663 1.00 4.14 H new ATOM 0 HB3 ALA A 134 11.622 2.711 9.868 1.00 4.14 H new ATOM 2082 N LEU A 135 14.194 2.584 11.643 1.00 23.21 N ATOM 2083 CA LEU A 135 15.392 1.771 11.798 1.00 25.32 C ATOM 2084 C LEU A 135 16.092 2.116 13.101 1.00 31.00 C ATOM 2085 O LEU A 135 17.000 1.409 13.545 1.00 52.32 O ATOM 2086 CB LEU A 135 16.342 1.973 10.615 1.00 23.13 C ATOM 2087 CG LEU A 135 15.795 1.520 9.262 1.00 44.31 C ATOM 2088 CD1 LEU A 135 16.790 1.828 8.157 1.00 65.24 C ATOM 2089 CD2 LEU A 135 15.469 0.034 9.291 1.00 12.24 C ATOM 0 H LEU A 135 14.325 3.428 11.085 1.00 23.21 H new ATOM 0 HA LEU A 135 15.096 0.722 11.823 1.00 25.32 H new ATOM 0 HB2 LEU A 135 16.598 3.031 10.551 1.00 23.13 H new ATOM 0 HB3 LEU A 135 17.267 1.433 10.815 1.00 23.13 H new ATOM 0 HG LEU A 135 14.876 2.069 9.059 1.00 44.31 H new ATOM 0 HD11 LEU A 135 16.385 1.499 7.200 1.00 65.24 H new ATOM 0 HD12 LEU A 135 16.975 2.902 8.123 1.00 65.24 H new ATOM 0 HD13 LEU A 135 17.726 1.305 8.354 1.00 65.24 H new ATOM 0 HD21 LEU A 135 15.081 -0.272 8.320 1.00 12.24 H new ATOM 0 HD22 LEU A 135 16.373 -0.532 9.515 1.00 12.24 H new ATOM 0 HD23 LEU A 135 14.720 -0.159 10.059 1.00 12.24 H new ATOM 2101 N GLY A 136 15.660 3.210 13.716 1.00 32.22 N ATOM 2102 CA GLY A 136 16.214 3.605 14.986 1.00 53.05 C ATOM 2103 C GLY A 136 17.489 4.413 14.847 1.00 52.02 C ATOM 2104 O GLY A 136 18.302 4.465 15.773 1.00 14.43 O ATOM 0 H GLY A 136 14.934 3.828 13.353 1.00 32.22 H new ATOM 0 HA2 GLY A 136 15.476 4.192 15.532 1.00 53.05 H new ATOM 0 HA3 GLY A 136 16.417 2.715 15.581 1.00 53.05 H new ATOM 2108 N ILE A 137 17.671 5.042 13.695 1.00 40.30 N ATOM 2109 CA ILE A 137 18.841 5.878 13.468 1.00 24.52 C ATOM 2110 C ILE A 137 18.692 7.191 14.227 1.00 64.40 C ATOM 2111 O ILE A 137 17.861 8.031 13.882 1.00 2.35 O ATOM 2112 CB ILE A 137 19.063 6.154 11.963 1.00 72.42 C ATOM 2113 CG1 ILE A 137 19.187 4.828 11.205 1.00 14.14 C ATOM 2114 CG2 ILE A 137 20.306 7.011 11.754 1.00 20.51 C ATOM 2115 CD1 ILE A 137 19.353 4.987 9.710 1.00 71.02 C ATOM 0 H ILE A 137 17.027 4.990 12.906 1.00 40.30 H new ATOM 0 HA ILE A 137 19.715 5.341 13.836 1.00 24.52 H new ATOM 0 HB ILE A 137 18.205 6.703 11.574 1.00 72.42 H new ATOM 0 HG12 ILE A 137 20.040 4.275 11.598 1.00 14.14 H new ATOM 0 HG13 ILE A 137 18.300 4.226 11.400 1.00 14.14 H new ATOM 0 HG21 ILE A 137 20.446 7.195 10.689 1.00 20.51 H new ATOM 0 HG22 ILE A 137 20.184 7.962 12.273 1.00 20.51 H new ATOM 0 HG23 ILE A 137 21.178 6.490 12.150 1.00 20.51 H new ATOM 0 HD11 ILE A 137 19.434 4.004 9.246 1.00 71.02 H new ATOM 0 HD12 ILE A 137 18.489 5.511 9.302 1.00 71.02 H new ATOM 0 HD13 ILE A 137 20.256 5.561 9.503 1.00 71.02 H new