USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=28 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 24 TYR OH : rot 130:sc= 1 USER MOD Set 1.2: A 41 LYS NZ :NH3+ -169:sc= 1.19 (180deg=0) USER MOD Set 2.1: A 7 TYR OH : rot 33:sc= 1.06 USER MOD Set 2.2: A 28 LYS NZ :NH3+ 166:sc= 1.3 (180deg=1.15) USER MOD Single : A 5 THR OG1 : rot 52:sc= 0.00368 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -18:sc= 0.122 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.0369 K(o=-0.037,f=-2.3!) USER MOD Single : A 19 GLN : amide:sc= -1.08 K(o=-1.1,f=-5.6!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -168:sc= 1.29 (180deg=1.22) USER MOD Single : A 33 HIS : no HE2:sc= 0.296 K(o=0.3,f=-1.3) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.248 K(o=-0.25,f=-1.6!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -144:sc= -0.149 (180deg=-0.828) USER MOD Single : A 50 ASN : amide:sc= -0.548 X(o=-0.55,f=-0.26) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -89:sc= 0.55 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ -179:sc= 1.29 (180deg=1.29) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot -99:sc= 1.05 USER MOD Single : A 114 LYS NZ :NH3+ 147:sc= 0.471 (180deg=0.0978) USER MOD Single : A 116 LYS NZ :NH3+ 156:sc= -0.142 (180deg=-0.651) USER MOD Single : A 118 HIS : no HD1:sc= -0.0284 X(o=-0.028,f=-0.043) USER MOD Single : A 119 SER OG : rot 180:sc= -0.0762 USER MOD Single : A 121 ASN : amide:sc= -0.117 K(o=-0.12,f=-4.4!) USER MOD Single : A 124 ASN : amide:sc= -1.44 K(o=-1.4,f=-6.9!) USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 MET CE :methyl 144:sc= -0.153 (180deg=-0.733) USER MOD Single : A 130 LYS NZ :NH3+ 179:sc= 1.21 (180deg=1.21) USER MOD Single : A 132 LYS NZ :NH3+ 163:sc= 0.644! (180deg=0.098!) USER MOD Single : A 133 SER OG : rot 78:sc= 1.1 USER MOD ----------------------------------------------------------------- ATOM 32 N ASP A 3 -12.373 12.552 -4.817 1.00 34.03 N ATOM 33 CA ASP A 3 -11.474 11.415 -4.669 1.00 23.53 C ATOM 34 C ASP A 3 -12.091 10.193 -5.329 1.00 31.14 C ATOM 35 O ASP A 3 -11.647 9.065 -5.131 1.00 72.51 O ATOM 36 CB ASP A 3 -11.209 11.135 -3.185 1.00 2.31 C ATOM 37 CG ASP A 3 -12.471 10.782 -2.418 1.00 2.24 C ATOM 38 OD1 ASP A 3 -13.358 11.656 -2.286 1.00 45.40 O ATOM 39 OD2 ASP A 3 -12.573 9.637 -1.922 1.00 24.01 O ATOM 0 HA ASP A 3 -10.524 11.646 -5.152 1.00 23.53 H new ATOM 0 HB2 ASP A 3 -10.495 10.317 -3.096 1.00 2.31 H new ATOM 0 HB3 ASP A 3 -10.747 12.012 -2.731 1.00 2.31 H new ATOM 44 N ARG A 4 -13.117 10.446 -6.131 1.00 1.15 N ATOM 45 CA ARG A 4 -13.867 9.388 -6.794 1.00 71.40 C ATOM 46 C ARG A 4 -13.158 8.919 -8.054 1.00 51.24 C ATOM 47 O ARG A 4 -13.471 7.862 -8.604 1.00 22.41 O ATOM 48 CB ARG A 4 -15.270 9.887 -7.138 1.00 1.23 C ATOM 49 CG ARG A 4 -16.130 10.157 -5.916 1.00 72.14 C ATOM 50 CD ARG A 4 -17.417 10.876 -6.276 1.00 22.31 C ATOM 51 NE ARG A 4 -17.208 12.301 -6.535 1.00 0.12 N ATOM 52 CZ ARG A 4 -17.912 13.262 -5.940 1.00 71.12 C ATOM 53 NH1 ARG A 4 -18.833 12.948 -5.036 1.00 71.44 N ATOM 54 NH2 ARG A 4 -17.691 14.532 -6.242 1.00 64.25 N ATOM 0 H ARG A 4 -13.452 11.387 -6.340 1.00 1.15 H new ATOM 0 HA ARG A 4 -13.939 8.541 -6.112 1.00 71.40 H new ATOM 0 HB2 ARG A 4 -15.189 10.802 -7.725 1.00 1.23 H new ATOM 0 HB3 ARG A 4 -15.767 9.148 -7.767 1.00 1.23 H new ATOM 0 HG2 ARG A 4 -16.367 9.214 -5.423 1.00 72.14 H new ATOM 0 HG3 ARG A 4 -15.567 10.757 -5.201 1.00 72.14 H new ATOM 0 HD2 ARG A 4 -17.855 10.410 -7.158 1.00 22.31 H new ATOM 0 HD3 ARG A 4 -18.135 10.759 -5.464 1.00 22.31 H new ATOM 0 HE ARG A 4 -16.487 12.572 -7.204 1.00 0.12 H new ATOM 0 HH11 ARG A 4 -19.001 11.971 -4.797 1.00 71.44 H new ATOM 0 HH12 ARG A 4 -19.372 13.684 -4.580 1.00 71.44 H new ATOM 0 HH21 ARG A 4 -16.980 14.776 -6.932 1.00 64.25 H new ATOM 0 HH22 ARG A 4 -18.232 15.266 -5.785 1.00 64.25 H new ATOM 68 N THR A 5 -12.199 9.702 -8.494 1.00 0.54 N ATOM 69 CA THR A 5 -11.480 9.412 -9.719 1.00 21.03 C ATOM 70 C THR A 5 -10.042 8.986 -9.441 1.00 22.13 C ATOM 71 O THR A 5 -9.165 9.827 -9.246 1.00 2.43 O ATOM 72 CB THR A 5 -11.492 10.628 -10.660 1.00 74.41 C ATOM 73 OG1 THR A 5 -11.337 11.838 -9.900 1.00 4.31 O ATOM 74 CG2 THR A 5 -12.786 10.676 -11.458 1.00 54.23 C ATOM 0 H THR A 5 -11.895 10.552 -8.019 1.00 0.54 H new ATOM 0 HA THR A 5 -11.993 8.581 -10.204 1.00 21.03 H new ATOM 0 HB THR A 5 -10.660 10.534 -11.358 1.00 74.41 H new ATOM 0 HG1 THR A 5 -10.552 11.761 -9.319 1.00 4.31 H new ATOM 0 HG21 THR A 5 -12.775 11.544 -12.118 1.00 54.23 H new ATOM 0 HG22 THR A 5 -12.880 9.768 -12.054 1.00 54.23 H new ATOM 0 HG23 THR A 5 -13.632 10.751 -10.775 1.00 54.23 H new ATOM 82 N GLU A 6 -9.834 7.667 -9.412 1.00 33.23 N ATOM 83 CA GLU A 6 -8.510 7.064 -9.241 1.00 45.33 C ATOM 84 C GLU A 6 -7.875 7.421 -7.899 1.00 13.22 C ATOM 85 O GLU A 6 -7.439 8.550 -7.678 1.00 14.33 O ATOM 86 CB GLU A 6 -7.570 7.475 -10.376 1.00 42.31 C ATOM 87 CG GLU A 6 -8.029 7.022 -11.751 1.00 74.43 C ATOM 88 CD GLU A 6 -7.027 7.369 -12.829 1.00 64.30 C ATOM 89 OE1 GLU A 6 -6.121 6.550 -13.090 1.00 71.12 O ATOM 90 OE2 GLU A 6 -7.134 8.463 -13.421 1.00 1.33 O ATOM 0 H GLU A 6 -10.585 6.983 -9.507 1.00 33.23 H new ATOM 0 HA GLU A 6 -8.659 5.985 -9.265 1.00 45.33 H new ATOM 0 HB2 GLU A 6 -7.470 8.560 -10.377 1.00 42.31 H new ATOM 0 HB3 GLU A 6 -6.580 7.064 -10.181 1.00 42.31 H new ATOM 0 HG2 GLU A 6 -8.192 5.944 -11.741 1.00 74.43 H new ATOM 0 HG3 GLU A 6 -8.987 7.487 -11.984 1.00 74.43 H new ATOM 97 N TYR A 7 -7.814 6.451 -7.003 1.00 72.43 N ATOM 98 CA TYR A 7 -7.104 6.646 -5.753 1.00 51.32 C ATOM 99 C TYR A 7 -5.605 6.578 -6.001 1.00 62.35 C ATOM 100 O TYR A 7 -5.114 5.658 -6.660 1.00 45.40 O ATOM 101 CB TYR A 7 -7.539 5.620 -4.705 1.00 22.12 C ATOM 102 CG TYR A 7 -8.883 5.935 -4.092 1.00 13.24 C ATOM 103 CD1 TYR A 7 -9.005 6.940 -3.144 1.00 32.30 C ATOM 104 CD2 TYR A 7 -10.029 5.242 -4.465 1.00 50.22 C ATOM 105 CE1 TYR A 7 -10.226 7.248 -2.581 1.00 0.34 C ATOM 106 CE2 TYR A 7 -11.259 5.546 -3.909 1.00 3.23 C ATOM 107 CZ TYR A 7 -11.350 6.551 -2.967 1.00 10.52 C ATOM 108 OH TYR A 7 -12.570 6.869 -2.413 1.00 24.34 O ATOM 0 H TYR A 7 -8.242 5.532 -7.116 1.00 72.43 H new ATOM 0 HA TYR A 7 -7.350 7.632 -5.359 1.00 51.32 H new ATOM 0 HB2 TYR A 7 -7.578 4.633 -5.166 1.00 22.12 H new ATOM 0 HB3 TYR A 7 -6.788 5.574 -3.916 1.00 22.12 H new ATOM 0 HD1 TYR A 7 -8.127 7.492 -2.841 1.00 32.30 H new ATOM 0 HD2 TYR A 7 -9.958 4.454 -5.200 1.00 50.22 H new ATOM 0 HE1 TYR A 7 -10.301 8.031 -1.841 1.00 0.34 H new ATOM 0 HE2 TYR A 7 -12.142 5.001 -4.210 1.00 3.23 H new ATOM 0 HH TYR A 7 -12.604 7.831 -2.228 1.00 24.34 H new ATOM 118 N ASP A 8 -4.888 7.559 -5.486 1.00 35.13 N ATOM 119 CA ASP A 8 -3.471 7.706 -5.774 1.00 2.41 C ATOM 120 C ASP A 8 -2.632 7.253 -4.587 1.00 55.22 C ATOM 121 O ASP A 8 -3.072 7.330 -3.441 1.00 62.22 O ATOM 122 CB ASP A 8 -3.163 9.165 -6.129 1.00 63.20 C ATOM 123 CG ASP A 8 -1.724 9.386 -6.542 1.00 32.21 C ATOM 124 OD1 ASP A 8 -1.239 8.649 -7.429 1.00 14.01 O ATOM 125 OD2 ASP A 8 -1.084 10.308 -6.000 1.00 75.43 O ATOM 0 H ASP A 8 -5.266 8.271 -4.861 1.00 35.13 H new ATOM 0 HA ASP A 8 -3.217 7.075 -6.625 1.00 2.41 H new ATOM 0 HB2 ASP A 8 -3.820 9.482 -6.939 1.00 63.20 H new ATOM 0 HB3 ASP A 8 -3.389 9.797 -5.270 1.00 63.20 H new ATOM 130 N VAL A 9 -1.442 6.750 -4.867 1.00 74.40 N ATOM 131 CA VAL A 9 -0.527 6.326 -3.819 1.00 42.21 C ATOM 132 C VAL A 9 0.827 6.997 -4.006 1.00 74.11 C ATOM 133 O VAL A 9 1.542 6.716 -4.971 1.00 33.01 O ATOM 134 CB VAL A 9 -0.334 4.791 -3.814 1.00 62.44 C ATOM 135 CG1 VAL A 9 0.608 4.365 -2.694 1.00 71.44 C ATOM 136 CG2 VAL A 9 -1.671 4.076 -3.681 1.00 73.24 C ATOM 0 H VAL A 9 -1.085 6.625 -5.814 1.00 74.40 H new ATOM 0 HA VAL A 9 -0.964 6.621 -2.865 1.00 42.21 H new ATOM 0 HB VAL A 9 0.114 4.508 -4.767 1.00 62.44 H new ATOM 0 HG11 VAL A 9 0.728 3.282 -2.711 1.00 71.44 H new ATOM 0 HG12 VAL A 9 1.579 4.840 -2.835 1.00 71.44 H new ATOM 0 HG13 VAL A 9 0.192 4.669 -1.733 1.00 71.44 H new ATOM 0 HG21 VAL A 9 -1.509 2.998 -3.680 1.00 73.24 H new ATOM 0 HG22 VAL A 9 -2.150 4.372 -2.748 1.00 73.24 H new ATOM 0 HG23 VAL A 9 -2.313 4.345 -4.520 1.00 73.24 H new ATOM 146 N TYR A 10 1.175 7.890 -3.092 1.00 73.14 N ATOM 147 CA TYR A 10 2.471 8.544 -3.137 1.00 31.14 C ATOM 148 C TYR A 10 3.366 8.001 -2.045 1.00 42.52 C ATOM 149 O TYR A 10 3.148 8.258 -0.861 1.00 22.11 O ATOM 150 CB TYR A 10 2.313 10.060 -2.987 1.00 22.31 C ATOM 151 CG TYR A 10 2.350 10.811 -4.300 1.00 44.21 C ATOM 152 CD1 TYR A 10 2.020 10.183 -5.494 1.00 24.34 C ATOM 153 CD2 TYR A 10 2.713 12.151 -4.341 1.00 11.34 C ATOM 154 CE1 TYR A 10 2.055 10.867 -6.691 1.00 64.41 C ATOM 155 CE2 TYR A 10 2.748 12.842 -5.537 1.00 13.22 C ATOM 156 CZ TYR A 10 2.420 12.194 -6.708 1.00 55.32 C ATOM 157 OH TYR A 10 2.450 12.878 -7.902 1.00 34.53 O ATOM 0 H TYR A 10 0.580 8.176 -2.314 1.00 73.14 H new ATOM 0 HA TYR A 10 2.930 8.339 -4.104 1.00 31.14 H new ATOM 0 HB2 TYR A 10 1.368 10.270 -2.486 1.00 22.31 H new ATOM 0 HB3 TYR A 10 3.106 10.436 -2.341 1.00 22.31 H new ATOM 0 HD1 TYR A 10 1.731 9.142 -5.485 1.00 24.34 H new ATOM 0 HD2 TYR A 10 2.972 12.660 -3.424 1.00 11.34 H new ATOM 0 HE1 TYR A 10 1.797 10.364 -7.611 1.00 64.41 H new ATOM 0 HE2 TYR A 10 3.031 13.884 -5.554 1.00 13.22 H new ATOM 0 HH TYR A 10 2.727 13.804 -7.741 1.00 34.53 H new ATOM 167 N THR A 11 4.383 7.262 -2.459 1.00 64.53 N ATOM 168 CA THR A 11 5.329 6.635 -1.552 1.00 72.25 C ATOM 169 C THR A 11 6.519 6.118 -2.350 1.00 2.25 C ATOM 170 O THR A 11 6.340 5.419 -3.346 1.00 31.54 O ATOM 171 CB THR A 11 4.702 5.435 -0.786 1.00 53.31 C ATOM 172 OG1 THR A 11 3.504 5.827 -0.099 1.00 61.35 O ATOM 173 CG2 THR A 11 5.685 4.857 0.220 1.00 3.42 C ATOM 0 H THR A 11 4.576 7.079 -3.444 1.00 64.53 H new ATOM 0 HA THR A 11 5.632 7.388 -0.825 1.00 72.25 H new ATOM 0 HB THR A 11 4.456 4.675 -1.527 1.00 53.31 H new ATOM 0 HG1 THR A 11 3.485 6.802 -0.004 1.00 61.35 H new ATOM 0 HG21 THR A 11 5.222 4.020 0.742 1.00 3.42 H new ATOM 0 HG22 THR A 11 6.578 4.511 -0.301 1.00 3.42 H new ATOM 0 HG23 THR A 11 5.961 5.626 0.942 1.00 3.42 H new ATOM 181 N ASP A 12 7.723 6.487 -1.947 1.00 13.12 N ATOM 182 CA ASP A 12 8.912 5.879 -2.520 1.00 54.24 C ATOM 183 C ASP A 12 9.352 4.738 -1.620 1.00 65.24 C ATOM 184 O ASP A 12 9.060 3.576 -1.897 1.00 44.00 O ATOM 185 CB ASP A 12 10.046 6.897 -2.705 1.00 41.14 C ATOM 186 CG ASP A 12 9.779 7.875 -3.835 1.00 43.41 C ATOM 187 OD1 ASP A 12 9.811 7.461 -5.006 1.00 42.42 O ATOM 188 OD2 ASP A 12 9.540 9.067 -3.557 1.00 31.30 O ATOM 0 H ASP A 12 7.902 7.195 -1.235 1.00 13.12 H new ATOM 0 HA ASP A 12 8.671 5.501 -3.513 1.00 54.24 H new ATOM 0 HB2 ASP A 12 10.186 7.451 -1.777 1.00 41.14 H new ATOM 0 HB3 ASP A 12 10.977 6.365 -2.903 1.00 41.14 H new ATOM 193 N GLY A 13 10.015 5.080 -0.519 1.00 72.34 N ATOM 194 CA GLY A 13 10.365 4.086 0.477 1.00 32.51 C ATOM 195 C GLY A 13 11.512 3.194 0.047 1.00 50.23 C ATOM 196 O GLY A 13 11.520 2.657 -1.060 1.00 11.42 O ATOM 0 H GLY A 13 10.316 6.030 -0.300 1.00 72.34 H new ATOM 0 HA2 GLY A 13 10.632 4.589 1.406 1.00 32.51 H new ATOM 0 HA3 GLY A 13 9.492 3.469 0.689 1.00 32.51 H new ATOM 200 N SER A 14 12.495 3.033 0.909 1.00 41.42 N ATOM 201 CA SER A 14 13.620 2.178 0.592 1.00 60.44 C ATOM 202 C SER A 14 14.140 1.448 1.823 1.00 4.54 C ATOM 203 O SER A 14 14.665 2.065 2.753 1.00 62.23 O ATOM 204 CB SER A 14 14.738 2.998 -0.052 1.00 12.41 C ATOM 205 OG SER A 14 14.300 3.595 -1.263 1.00 75.21 O ATOM 0 H SER A 14 12.538 3.478 1.826 1.00 41.42 H new ATOM 0 HA SER A 14 13.275 1.423 -0.115 1.00 60.44 H new ATOM 0 HB2 SER A 14 15.070 3.772 0.640 1.00 12.41 H new ATOM 0 HB3 SER A 14 15.597 2.356 -0.249 1.00 12.41 H new ATOM 0 HG SER A 14 15.032 4.115 -1.655 1.00 75.21 H new ATOM 211 N TYR A 15 13.965 0.134 1.823 1.00 23.41 N ATOM 212 CA TYR A 15 14.580 -0.726 2.821 1.00 34.15 C ATOM 213 C TYR A 15 16.061 -0.866 2.487 1.00 25.25 C ATOM 214 O TYR A 15 16.426 -0.966 1.313 1.00 43.22 O ATOM 215 CB TYR A 15 13.886 -2.098 2.853 1.00 13.45 C ATOM 216 CG TYR A 15 13.853 -2.809 1.517 1.00 33.20 C ATOM 217 CD1 TYR A 15 12.900 -2.483 0.560 1.00 24.44 C ATOM 218 CD2 TYR A 15 14.775 -3.801 1.213 1.00 11.31 C ATOM 219 CE1 TYR A 15 12.868 -3.126 -0.659 1.00 1.11 C ATOM 220 CE2 TYR A 15 14.748 -4.447 -0.006 1.00 3.53 C ATOM 221 CZ TYR A 15 13.793 -4.105 -0.937 1.00 61.51 C ATOM 222 OH TYR A 15 13.768 -4.739 -2.155 1.00 14.43 O ATOM 0 H TYR A 15 13.397 -0.362 1.136 1.00 23.41 H new ATOM 0 HA TYR A 15 14.471 -0.286 3.812 1.00 34.15 H new ATOM 0 HB2 TYR A 15 14.396 -2.733 3.577 1.00 13.45 H new ATOM 0 HB3 TYR A 15 12.864 -1.967 3.207 1.00 13.45 H new ATOM 0 HD1 TYR A 15 12.173 -1.714 0.774 1.00 24.44 H new ATOM 0 HD2 TYR A 15 15.525 -4.071 1.942 1.00 11.31 H new ATOM 0 HE1 TYR A 15 12.120 -2.862 -1.392 1.00 1.11 H new ATOM 0 HE2 TYR A 15 15.472 -5.217 -0.229 1.00 3.53 H new ATOM 0 HH TYR A 15 14.488 -5.403 -2.193 1.00 14.43 H new ATOM 232 N VAL A 16 16.912 -0.851 3.498 1.00 64.42 N ATOM 233 CA VAL A 16 18.347 -0.798 3.264 1.00 14.31 C ATOM 234 C VAL A 16 19.111 -1.400 4.442 1.00 14.53 C ATOM 235 O VAL A 16 18.591 -1.470 5.558 1.00 75.31 O ATOM 236 CB VAL A 16 18.806 0.662 3.008 1.00 35.24 C ATOM 237 CG1 VAL A 16 18.645 1.518 4.258 1.00 72.31 C ATOM 238 CG2 VAL A 16 20.238 0.714 2.490 1.00 63.22 C ATOM 0 H VAL A 16 16.639 -0.874 4.481 1.00 64.42 H new ATOM 0 HA VAL A 16 18.568 -1.389 2.375 1.00 14.31 H new ATOM 0 HB VAL A 16 18.160 1.076 2.234 1.00 35.24 H new ATOM 0 HG11 VAL A 16 18.975 2.535 4.047 1.00 72.31 H new ATOM 0 HG12 VAL A 16 17.597 1.531 4.558 1.00 72.31 H new ATOM 0 HG13 VAL A 16 19.248 1.101 5.065 1.00 72.31 H new ATOM 0 HG21 VAL A 16 20.527 1.752 2.322 1.00 63.22 H new ATOM 0 HG22 VAL A 16 20.907 0.266 3.225 1.00 63.22 H new ATOM 0 HG23 VAL A 16 20.306 0.162 1.553 1.00 63.22 H new ATOM 248 N ASN A 17 20.329 -1.870 4.165 1.00 22.02 N ATOM 249 CA ASN A 17 21.205 -2.460 5.181 1.00 42.44 C ATOM 250 C ASN A 17 20.594 -3.731 5.750 1.00 54.41 C ATOM 251 O ASN A 17 20.860 -4.111 6.891 1.00 74.42 O ATOM 252 CB ASN A 17 21.489 -1.462 6.315 1.00 50.30 C ATOM 253 CG ASN A 17 22.360 -0.305 5.873 1.00 4.15 C ATOM 254 OD1 ASN A 17 21.866 0.755 5.492 1.00 72.52 O ATOM 255 ND2 ASN A 17 23.664 -0.506 5.916 1.00 13.43 N ATOM 0 H ASN A 17 20.736 -1.853 3.230 1.00 22.02 H new ATOM 0 HA ASN A 17 22.149 -2.710 4.696 1.00 42.44 H new ATOM 0 HB2 ASN A 17 20.545 -1.075 6.697 1.00 50.30 H new ATOM 0 HB3 ASN A 17 21.976 -1.984 7.139 1.00 50.30 H new ATOM 0 HD21 ASN A 17 24.304 0.234 5.626 1.00 13.43 H new ATOM 0 HD22 ASN A 17 24.032 -1.401 6.239 1.00 13.43 H new ATOM 262 N GLY A 18 19.790 -4.397 4.935 1.00 33.41 N ATOM 263 CA GLY A 18 19.151 -5.626 5.357 1.00 5.24 C ATOM 264 C GLY A 18 17.859 -5.379 6.110 1.00 61.24 C ATOM 265 O GLY A 18 17.040 -6.283 6.261 1.00 63.43 O ATOM 0 H GLY A 18 19.568 -4.106 3.983 1.00 33.41 H new ATOM 0 HA2 GLY A 18 18.946 -6.244 4.483 1.00 5.24 H new ATOM 0 HA3 GLY A 18 19.836 -6.189 5.991 1.00 5.24 H new ATOM 269 N GLN A 19 17.672 -4.153 6.570 1.00 44.14 N ATOM 270 CA GLN A 19 16.484 -3.797 7.325 1.00 40.44 C ATOM 271 C GLN A 19 15.323 -3.542 6.379 1.00 23.42 C ATOM 272 O GLN A 19 15.436 -2.737 5.455 1.00 50.43 O ATOM 273 CB GLN A 19 16.751 -2.554 8.173 1.00 75.32 C ATOM 274 CG GLN A 19 17.879 -2.726 9.178 1.00 11.02 C ATOM 275 CD GLN A 19 17.525 -3.673 10.312 1.00 43.52 C ATOM 276 OE1 GLN A 19 16.739 -4.607 10.147 1.00 71.33 O ATOM 277 NE2 GLN A 19 18.121 -3.448 11.473 1.00 24.21 N ATOM 0 H GLN A 19 18.330 -3.386 6.433 1.00 44.14 H new ATOM 0 HA GLN A 19 16.227 -4.625 7.986 1.00 40.44 H new ATOM 0 HB2 GLN A 19 16.989 -1.720 7.513 1.00 75.32 H new ATOM 0 HB3 GLN A 19 15.839 -2.287 8.707 1.00 75.32 H new ATOM 0 HG2 GLN A 19 18.764 -3.100 8.662 1.00 11.02 H new ATOM 0 HG3 GLN A 19 18.140 -1.752 9.593 1.00 11.02 H new ATOM 0 HE21 GLN A 19 18.766 -2.664 11.572 1.00 24.21 H new ATOM 0 HE22 GLN A 19 17.935 -4.059 12.269 1.00 24.21 H new ATOM 286 N TYR A 20 14.213 -4.223 6.613 1.00 11.21 N ATOM 287 CA TYR A 20 13.043 -4.087 5.757 1.00 42.22 C ATOM 288 C TYR A 20 11.849 -3.611 6.572 1.00 34.35 C ATOM 289 O TYR A 20 11.770 -3.856 7.777 1.00 63.33 O ATOM 290 CB TYR A 20 12.714 -5.420 5.066 1.00 44.02 C ATOM 291 CG TYR A 20 12.202 -6.494 6.009 1.00 54.32 C ATOM 292 CD1 TYR A 20 13.081 -7.291 6.729 1.00 32.33 C ATOM 293 CD2 TYR A 20 10.837 -6.703 6.180 1.00 35.05 C ATOM 294 CE1 TYR A 20 12.616 -8.264 7.594 1.00 32.00 C ATOM 295 CE2 TYR A 20 10.366 -7.674 7.041 1.00 4.34 C ATOM 296 CZ TYR A 20 11.259 -8.450 7.746 1.00 1.21 C ATOM 297 OH TYR A 20 10.794 -9.414 8.611 1.00 41.05 O ATOM 0 H TYR A 20 14.096 -4.876 7.388 1.00 11.21 H new ATOM 0 HA TYR A 20 13.266 -3.347 4.988 1.00 42.22 H new ATOM 0 HB2 TYR A 20 11.966 -5.242 4.294 1.00 44.02 H new ATOM 0 HB3 TYR A 20 13.609 -5.788 4.564 1.00 44.02 H new ATOM 0 HD1 TYR A 20 14.145 -7.149 6.612 1.00 32.33 H new ATOM 0 HD2 TYR A 20 10.134 -6.095 5.630 1.00 35.05 H new ATOM 0 HE1 TYR A 20 13.313 -8.875 8.148 1.00 32.00 H new ATOM 0 HE2 TYR A 20 9.303 -7.824 7.161 1.00 4.34 H new ATOM 0 HH TYR A 20 9.814 -9.416 8.603 1.00 41.05 H new ATOM 307 N ALA A 21 10.922 -2.942 5.912 1.00 0.43 N ATOM 308 CA ALA A 21 9.733 -2.428 6.569 1.00 75.21 C ATOM 309 C ALA A 21 8.604 -2.265 5.562 1.00 42.43 C ATOM 310 O ALA A 21 8.828 -2.339 4.345 1.00 3.23 O ATOM 311 CB ALA A 21 10.034 -1.097 7.255 1.00 12.41 C ATOM 0 H ALA A 21 10.970 -2.740 4.913 1.00 0.43 H new ATOM 0 HA ALA A 21 9.420 -3.143 7.330 1.00 75.21 H new ATOM 0 HB1 ALA A 21 9.132 -0.727 7.742 1.00 12.41 H new ATOM 0 HB2 ALA A 21 10.816 -1.241 8.001 1.00 12.41 H new ATOM 0 HB3 ALA A 21 10.369 -0.373 6.513 1.00 12.41 H new ATOM 317 N TRP A 22 7.394 -2.064 6.060 1.00 2.31 N ATOM 318 CA TRP A 22 6.265 -1.761 5.203 1.00 61.42 C ATOM 319 C TRP A 22 5.827 -0.325 5.433 1.00 1.03 C ATOM 320 O TRP A 22 5.663 0.111 6.569 1.00 62.15 O ATOM 321 CB TRP A 22 5.100 -2.743 5.417 1.00 74.45 C ATOM 322 CG TRP A 22 4.651 -2.906 6.843 1.00 25.44 C ATOM 323 CD1 TRP A 22 5.148 -3.788 7.756 1.00 41.32 C ATOM 324 CD2 TRP A 22 3.598 -2.195 7.505 1.00 64.22 C ATOM 325 NE1 TRP A 22 4.473 -3.665 8.945 1.00 13.32 N ATOM 326 CE2 TRP A 22 3.517 -2.696 8.818 1.00 62.34 C ATOM 327 CE3 TRP A 22 2.712 -1.184 7.120 1.00 4.41 C ATOM 328 CZ2 TRP A 22 2.593 -2.221 9.745 1.00 21.21 C ATOM 329 CZ3 TRP A 22 1.795 -0.711 8.041 1.00 23.51 C ATOM 330 CH2 TRP A 22 1.741 -1.232 9.339 1.00 34.13 C ATOM 0 H TRP A 22 7.171 -2.106 7.055 1.00 2.31 H new ATOM 0 HA TRP A 22 6.579 -1.877 4.166 1.00 61.42 H new ATOM 0 HB2 TRP A 22 4.250 -2.408 4.822 1.00 74.45 H new ATOM 0 HB3 TRP A 22 5.394 -3.719 5.032 1.00 74.45 H new ATOM 0 HD1 TRP A 22 5.955 -4.482 7.571 1.00 41.32 H new ATOM 0 HE1 TRP A 22 4.655 -4.209 9.788 1.00 13.32 H new ATOM 0 HE3 TRP A 22 2.743 -0.779 6.119 1.00 4.41 H new ATOM 0 HZ2 TRP A 22 2.551 -2.619 10.748 1.00 21.21 H new ATOM 0 HZ3 TRP A 22 1.110 0.073 7.754 1.00 23.51 H new ATOM 0 HH2 TRP A 22 1.011 -0.845 10.034 1.00 34.13 H new ATOM 341 N ALA A 23 5.671 0.409 4.348 1.00 23.15 N ATOM 342 CA ALA A 23 5.335 1.818 4.421 1.00 3.43 C ATOM 343 C ALA A 23 4.203 2.138 3.467 1.00 10.11 C ATOM 344 O ALA A 23 4.193 1.664 2.330 1.00 50.40 O ATOM 345 CB ALA A 23 6.557 2.664 4.095 1.00 12.22 C ATOM 0 H ALA A 23 5.772 0.050 3.399 1.00 23.15 H new ATOM 0 HA ALA A 23 5.009 2.050 5.435 1.00 3.43 H new ATOM 0 HB1 ALA A 23 6.294 3.720 4.153 1.00 12.22 H new ATOM 0 HB2 ALA A 23 7.350 2.448 4.810 1.00 12.22 H new ATOM 0 HB3 ALA A 23 6.903 2.431 3.088 1.00 12.22 H new ATOM 351 N TYR A 24 3.246 2.926 3.935 1.00 1.41 N ATOM 352 CA TYR A 24 2.114 3.325 3.110 1.00 31.21 C ATOM 353 C TYR A 24 1.724 4.766 3.392 1.00 34.53 C ATOM 354 O TYR A 24 1.704 5.199 4.544 1.00 21.23 O ATOM 355 CB TYR A 24 0.892 2.427 3.360 1.00 41.41 C ATOM 356 CG TYR A 24 1.105 0.953 3.076 1.00 22.52 C ATOM 357 CD1 TYR A 24 1.023 0.450 1.781 1.00 32.11 C ATOM 358 CD2 TYR A 24 1.369 0.064 4.110 1.00 21.30 C ATOM 359 CE1 TYR A 24 1.201 -0.899 1.529 1.00 33.44 C ATOM 360 CE2 TYR A 24 1.550 -1.283 3.863 1.00 50.33 C ATOM 361 CZ TYR A 24 1.465 -1.761 2.574 1.00 62.00 C ATOM 362 OH TYR A 24 1.642 -3.105 2.330 1.00 75.22 O ATOM 0 H TYR A 24 3.230 3.302 4.883 1.00 1.41 H new ATOM 0 HA TYR A 24 2.426 3.222 2.071 1.00 31.21 H new ATOM 0 HB2 TYR A 24 0.585 2.540 4.400 1.00 41.41 H new ATOM 0 HB3 TYR A 24 0.067 2.784 2.744 1.00 41.41 H new ATOM 0 HD1 TYR A 24 0.818 1.122 0.961 1.00 32.11 H new ATOM 0 HD2 TYR A 24 1.434 0.432 5.123 1.00 21.30 H new ATOM 0 HE1 TYR A 24 1.134 -1.276 0.519 1.00 33.44 H new ATOM 0 HE2 TYR A 24 1.758 -1.960 4.679 1.00 50.33 H new ATOM 0 HH TYR A 24 2.466 -3.411 2.764 1.00 75.22 H new ATOM 372 N ALA A 25 1.415 5.497 2.332 1.00 64.14 N ATOM 373 CA ALA A 25 0.871 6.838 2.450 1.00 52.51 C ATOM 374 C ALA A 25 -0.344 6.977 1.537 1.00 5.53 C ATOM 375 O ALA A 25 -0.210 7.061 0.314 1.00 61.53 O ATOM 376 CB ALA A 25 1.925 7.884 2.115 1.00 73.40 C ATOM 0 H ALA A 25 1.534 5.178 1.371 1.00 64.14 H new ATOM 0 HA ALA A 25 0.560 7.005 3.481 1.00 52.51 H new ATOM 0 HB1 ALA A 25 1.493 8.880 2.211 1.00 73.40 H new ATOM 0 HB2 ALA A 25 2.766 7.786 2.801 1.00 73.40 H new ATOM 0 HB3 ALA A 25 2.272 7.736 1.092 1.00 73.40 H new ATOM 382 N PHE A 26 -1.526 6.975 2.134 1.00 60.33 N ATOM 383 CA PHE A 26 -2.770 7.006 1.376 1.00 63.14 C ATOM 384 C PHE A 26 -3.181 8.441 1.083 1.00 73.01 C ATOM 385 O PHE A 26 -3.558 9.191 1.991 1.00 20.22 O ATOM 386 CB PHE A 26 -3.884 6.289 2.144 1.00 22.22 C ATOM 387 CG PHE A 26 -3.586 4.844 2.448 1.00 13.42 C ATOM 388 CD1 PHE A 26 -3.845 3.858 1.510 1.00 11.23 C ATOM 389 CD2 PHE A 26 -3.048 4.473 3.671 1.00 24.23 C ATOM 390 CE1 PHE A 26 -3.574 2.531 1.785 1.00 51.52 C ATOM 391 CE2 PHE A 26 -2.777 3.148 3.951 1.00 30.24 C ATOM 392 CZ PHE A 26 -3.040 2.175 3.007 1.00 74.32 C ATOM 0 H PHE A 26 -1.651 6.952 3.146 1.00 60.33 H new ATOM 0 HA PHE A 26 -2.606 6.489 0.431 1.00 63.14 H new ATOM 0 HB2 PHE A 26 -4.064 6.817 3.080 1.00 22.22 H new ATOM 0 HB3 PHE A 26 -4.805 6.345 1.564 1.00 22.22 H new ATOM 0 HD1 PHE A 26 -4.264 4.130 0.552 1.00 11.23 H new ATOM 0 HD2 PHE A 26 -2.838 5.229 4.413 1.00 24.23 H new ATOM 0 HE1 PHE A 26 -3.780 1.773 1.044 1.00 51.52 H new ATOM 0 HE2 PHE A 26 -2.359 2.873 4.908 1.00 30.24 H new ATOM 0 HZ PHE A 26 -2.828 1.138 3.224 1.00 74.32 H new ATOM 402 N VAL A 27 -3.104 8.815 -0.183 1.00 74.22 N ATOM 403 CA VAL A 27 -3.414 10.170 -0.597 1.00 2.32 C ATOM 404 C VAL A 27 -4.623 10.198 -1.538 1.00 4.51 C ATOM 405 O VAL A 27 -4.654 9.527 -2.568 1.00 32.44 O ATOM 406 CB VAL A 27 -2.186 10.843 -1.262 1.00 2.40 C ATOM 407 CG1 VAL A 27 -1.632 9.995 -2.393 1.00 4.30 C ATOM 408 CG2 VAL A 27 -2.533 12.234 -1.764 1.00 10.24 C ATOM 0 H VAL A 27 -2.828 8.195 -0.944 1.00 74.22 H new ATOM 0 HA VAL A 27 -3.670 10.739 0.297 1.00 2.32 H new ATOM 0 HB VAL A 27 -1.412 10.934 -0.499 1.00 2.40 H new ATOM 0 HG11 VAL A 27 -0.772 10.497 -2.837 1.00 4.30 H new ATOM 0 HG12 VAL A 27 -1.325 9.025 -2.003 1.00 4.30 H new ATOM 0 HG13 VAL A 27 -2.401 9.854 -3.152 1.00 4.30 H new ATOM 0 HG21 VAL A 27 -1.654 12.684 -2.226 1.00 10.24 H new ATOM 0 HG22 VAL A 27 -3.335 12.166 -2.499 1.00 10.24 H new ATOM 0 HG23 VAL A 27 -2.859 12.852 -0.927 1.00 10.24 H new ATOM 418 N LYS A 28 -5.631 10.963 -1.156 1.00 3.50 N ATOM 419 CA LYS A 28 -6.812 11.141 -1.979 1.00 12.22 C ATOM 420 C LYS A 28 -7.086 12.625 -2.159 1.00 71.40 C ATOM 421 O LYS A 28 -7.026 13.389 -1.196 1.00 72.41 O ATOM 422 CB LYS A 28 -8.034 10.452 -1.358 1.00 22.24 C ATOM 423 CG LYS A 28 -8.386 10.947 0.041 1.00 1.12 C ATOM 424 CD LYS A 28 -9.841 10.664 0.385 1.00 71.15 C ATOM 425 CE LYS A 28 -10.140 9.175 0.427 1.00 21.44 C ATOM 426 NZ LYS A 28 -11.602 8.913 0.453 1.00 42.55 N ATOM 0 H LYS A 28 -5.653 11.474 -0.274 1.00 3.50 H new ATOM 0 HA LYS A 28 -6.627 10.681 -2.950 1.00 12.22 H new ATOM 0 HB2 LYS A 28 -8.893 10.603 -2.012 1.00 22.24 H new ATOM 0 HB3 LYS A 28 -7.850 9.379 -1.316 1.00 22.24 H new ATOM 0 HG2 LYS A 28 -7.738 10.464 0.772 1.00 1.12 H new ATOM 0 HG3 LYS A 28 -8.198 12.019 0.107 1.00 1.12 H new ATOM 0 HD2 LYS A 28 -10.077 11.108 1.352 1.00 71.15 H new ATOM 0 HD3 LYS A 28 -10.487 11.142 -0.352 1.00 71.15 H new ATOM 0 HE2 LYS A 28 -9.698 8.690 -0.443 1.00 21.44 H new ATOM 0 HE3 LYS A 28 -9.675 8.734 1.309 1.00 21.44 H new ATOM 0 HZ1 LYS A 28 -11.779 7.910 0.244 1.00 42.55 H new ATOM 0 HZ2 LYS A 28 -11.979 9.142 1.395 1.00 42.55 H new ATOM 0 HZ3 LYS A 28 -12.073 9.504 -0.261 1.00 42.55 H new ATOM 440 N ASP A 29 -7.339 13.037 -3.401 1.00 54.30 N ATOM 441 CA ASP A 29 -7.642 14.439 -3.715 1.00 35.14 C ATOM 442 C ASP A 29 -6.417 15.324 -3.437 1.00 65.22 C ATOM 443 O ASP A 29 -6.495 16.549 -3.452 1.00 1.21 O ATOM 444 CB ASP A 29 -8.867 14.900 -2.896 1.00 53.34 C ATOM 445 CG ASP A 29 -9.392 16.277 -3.268 1.00 0.22 C ATOM 446 OD1 ASP A 29 -10.170 16.385 -4.244 1.00 4.35 O ATOM 447 OD2 ASP A 29 -9.089 17.249 -2.548 1.00 51.43 O ATOM 0 H ASP A 29 -7.341 12.418 -4.212 1.00 54.30 H new ATOM 0 HA ASP A 29 -7.883 14.531 -4.774 1.00 35.14 H new ATOM 0 HB2 ASP A 29 -9.669 14.173 -3.024 1.00 53.34 H new ATOM 0 HB3 ASP A 29 -8.602 14.899 -1.839 1.00 53.34 H new ATOM 452 N GLY A 30 -5.273 14.680 -3.217 1.00 64.20 N ATOM 453 CA GLY A 30 -4.057 15.400 -2.892 1.00 50.23 C ATOM 454 C GLY A 30 -3.835 15.500 -1.394 1.00 74.01 C ATOM 455 O GLY A 30 -2.872 16.116 -0.938 1.00 1.31 O ATOM 0 H GLY A 30 -5.169 13.666 -3.259 1.00 64.20 H new ATOM 0 HA2 GLY A 30 -3.205 14.898 -3.351 1.00 50.23 H new ATOM 0 HA3 GLY A 30 -4.105 16.402 -3.319 1.00 50.23 H new ATOM 459 N LYS A 31 -4.731 14.893 -0.624 1.00 43.20 N ATOM 460 CA LYS A 31 -4.658 14.946 0.833 1.00 43.05 C ATOM 461 C LYS A 31 -4.356 13.564 1.397 1.00 2.02 C ATOM 462 O LYS A 31 -4.865 12.555 0.910 1.00 62.15 O ATOM 463 CB LYS A 31 -5.970 15.469 1.439 1.00 20.32 C ATOM 464 CG LYS A 31 -6.247 16.960 1.224 1.00 12.14 C ATOM 465 CD LYS A 31 -6.226 17.346 -0.244 1.00 3.43 C ATOM 466 CE LYS A 31 -6.776 18.738 -0.480 1.00 34.21 C ATOM 467 NZ LYS A 31 -8.260 18.761 -0.449 1.00 50.44 N ATOM 0 H LYS A 31 -5.520 14.356 -0.985 1.00 43.20 H new ATOM 0 HA LYS A 31 -3.855 15.633 1.099 1.00 43.05 H new ATOM 0 HB2 LYS A 31 -6.798 14.899 1.017 1.00 20.32 H new ATOM 0 HB3 LYS A 31 -5.960 15.270 2.511 1.00 20.32 H new ATOM 0 HG2 LYS A 31 -7.219 17.211 1.649 1.00 12.14 H new ATOM 0 HG3 LYS A 31 -5.502 17.547 1.762 1.00 12.14 H new ATOM 0 HD2 LYS A 31 -5.203 17.294 -0.617 1.00 3.43 H new ATOM 0 HD3 LYS A 31 -6.810 16.625 -0.815 1.00 3.43 H new ATOM 0 HE2 LYS A 31 -6.387 19.415 0.280 1.00 34.21 H new ATOM 0 HE3 LYS A 31 -6.428 19.107 -1.445 1.00 34.21 H new ATOM 0 HZ1 LYS A 31 -8.601 19.674 -0.812 1.00 50.44 H new ATOM 0 HZ2 LYS A 31 -8.632 17.992 -1.043 1.00 50.44 H new ATOM 0 HZ3 LYS A 31 -8.589 18.632 0.529 1.00 50.44 H new ATOM 481 N VAL A 32 -3.535 13.528 2.423 1.00 32.31 N ATOM 482 CA VAL A 32 -3.156 12.274 3.060 1.00 1.50 C ATOM 483 C VAL A 32 -3.820 12.161 4.424 1.00 12.34 C ATOM 484 O VAL A 32 -3.636 13.019 5.292 1.00 32.05 O ATOM 485 CB VAL A 32 -1.623 12.152 3.219 1.00 31.33 C ATOM 486 CG1 VAL A 32 -1.248 10.845 3.903 1.00 23.21 C ATOM 487 CG2 VAL A 32 -0.933 12.263 1.870 1.00 11.42 C ATOM 0 H VAL A 32 -3.111 14.356 2.841 1.00 32.31 H new ATOM 0 HA VAL A 32 -3.494 11.463 2.415 1.00 1.50 H new ATOM 0 HB VAL A 32 -1.284 12.974 3.849 1.00 31.33 H new ATOM 0 HG11 VAL A 32 -0.164 10.784 4.002 1.00 23.21 H new ATOM 0 HG12 VAL A 32 -1.706 10.807 4.891 1.00 23.21 H new ATOM 0 HG13 VAL A 32 -1.605 10.006 3.306 1.00 23.21 H new ATOM 0 HG21 VAL A 32 0.145 12.175 2.004 1.00 11.42 H new ATOM 0 HG22 VAL A 32 -1.284 11.465 1.215 1.00 11.42 H new ATOM 0 HG23 VAL A 32 -1.165 13.229 1.421 1.00 11.42 H new ATOM 497 N HIS A 33 -4.611 11.115 4.607 1.00 12.22 N ATOM 498 CA HIS A 33 -5.330 10.927 5.860 1.00 20.10 C ATOM 499 C HIS A 33 -4.759 9.748 6.643 1.00 34.34 C ATOM 500 O HIS A 33 -4.993 9.621 7.843 1.00 51.24 O ATOM 501 CB HIS A 33 -6.825 10.706 5.595 1.00 73.34 C ATOM 502 CG HIS A 33 -7.700 10.959 6.794 1.00 14.23 C ATOM 503 ND1 HIS A 33 -7.936 10.021 7.779 1.00 62.44 N ATOM 504 CD2 HIS A 33 -8.404 12.059 7.153 1.00 33.21 C ATOM 505 CE1 HIS A 33 -8.748 10.534 8.685 1.00 4.30 C ATOM 506 NE2 HIS A 33 -9.045 11.769 8.332 1.00 43.32 N ATOM 0 H HIS A 33 -4.772 10.388 3.910 1.00 12.22 H new ATOM 0 HA HIS A 33 -5.208 11.831 6.457 1.00 20.10 H new ATOM 0 HB2 HIS A 33 -7.141 11.360 4.782 1.00 73.34 H new ATOM 0 HB3 HIS A 33 -6.977 9.681 5.256 1.00 73.34 H new ATOM 0 HD1 HIS A 33 -7.545 9.079 7.803 1.00 62.44 H new ATOM 0 HD2 HIS A 33 -8.452 12.992 6.612 1.00 33.21 H new ATOM 0 HE1 HIS A 33 -9.109 10.027 9.568 1.00 4.30 H new ATOM 515 N TYR A 34 -4.021 8.879 5.961 1.00 34.11 N ATOM 516 CA TYR A 34 -3.441 7.707 6.603 1.00 23.25 C ATOM 517 C TYR A 34 -2.010 7.503 6.122 1.00 45.52 C ATOM 518 O TYR A 34 -1.731 7.644 4.928 1.00 53.01 O ATOM 519 CB TYR A 34 -4.259 6.447 6.279 1.00 54.00 C ATOM 520 CG TYR A 34 -5.745 6.576 6.530 1.00 14.04 C ATOM 521 CD1 TYR A 34 -6.269 6.470 7.811 1.00 41.35 C ATOM 522 CD2 TYR A 34 -6.626 6.804 5.479 1.00 42.13 C ATOM 523 CE1 TYR A 34 -7.626 6.588 8.037 1.00 3.20 C ATOM 524 CE2 TYR A 34 -7.983 6.924 5.698 1.00 72.11 C ATOM 525 CZ TYR A 34 -8.478 6.815 6.979 1.00 54.30 C ATOM 526 OH TYR A 34 -9.827 6.942 7.203 1.00 24.13 O ATOM 0 H TYR A 34 -3.811 8.964 4.966 1.00 34.11 H new ATOM 0 HA TYR A 34 -3.451 7.873 7.680 1.00 23.25 H new ATOM 0 HB2 TYR A 34 -4.102 6.188 5.232 1.00 54.00 H new ATOM 0 HB3 TYR A 34 -3.875 5.618 6.873 1.00 54.00 H new ATOM 0 HD1 TYR A 34 -5.605 6.292 8.644 1.00 41.35 H new ATOM 0 HD2 TYR A 34 -6.241 6.889 4.473 1.00 42.13 H new ATOM 0 HE1 TYR A 34 -8.018 6.503 9.040 1.00 3.20 H new ATOM 0 HE2 TYR A 34 -8.653 7.102 4.870 1.00 72.11 H new ATOM 0 HH TYR A 34 -10.286 7.100 6.352 1.00 24.13 H new ATOM 536 N GLU A 35 -1.119 7.153 7.044 1.00 21.23 N ATOM 537 CA GLU A 35 0.272 6.872 6.712 1.00 1.24 C ATOM 538 C GLU A 35 0.976 6.197 7.889 1.00 42.33 C ATOM 539 O GLU A 35 0.618 6.432 9.047 1.00 3.21 O ATOM 540 CB GLU A 35 1.020 8.158 6.317 1.00 31.04 C ATOM 541 CG GLU A 35 1.306 9.123 7.469 1.00 60.12 C ATOM 542 CD GLU A 35 0.064 9.789 8.032 1.00 64.12 C ATOM 543 OE1 GLU A 35 -0.336 10.850 7.509 1.00 24.14 O ATOM 544 OE2 GLU A 35 -0.499 9.276 9.022 1.00 52.32 O ATOM 0 H GLU A 35 -1.339 7.057 8.035 1.00 21.23 H new ATOM 0 HA GLU A 35 0.281 6.196 5.857 1.00 1.24 H new ATOM 0 HB2 GLU A 35 1.966 7.881 5.852 1.00 31.04 H new ATOM 0 HB3 GLU A 35 0.435 8.682 5.561 1.00 31.04 H new ATOM 0 HG2 GLU A 35 1.810 8.580 8.269 1.00 60.12 H new ATOM 0 HG3 GLU A 35 1.995 9.893 7.123 1.00 60.12 H new ATOM 551 N ASP A 36 1.942 5.331 7.590 1.00 43.32 N ATOM 552 CA ASP A 36 2.791 4.723 8.618 1.00 34.13 C ATOM 553 C ASP A 36 3.862 3.863 7.962 1.00 10.10 C ATOM 554 O ASP A 36 3.820 3.618 6.753 1.00 62.21 O ATOM 555 CB ASP A 36 1.982 3.863 9.597 1.00 71.41 C ATOM 556 CG ASP A 36 2.568 3.870 11.005 1.00 11.20 C ATOM 557 OD1 ASP A 36 3.757 3.524 11.177 1.00 21.42 O ATOM 558 OD2 ASP A 36 1.833 4.226 11.951 1.00 64.13 O ATOM 0 H ASP A 36 2.159 5.032 6.639 1.00 43.32 H new ATOM 0 HA ASP A 36 3.251 5.534 9.182 1.00 34.13 H new ATOM 0 HB2 ASP A 36 0.955 4.228 9.633 1.00 71.41 H new ATOM 0 HB3 ASP A 36 1.943 2.838 9.228 1.00 71.41 H new ATOM 563 N ALA A 37 4.797 3.400 8.772 1.00 14.43 N ATOM 564 CA ALA A 37 5.892 2.564 8.317 1.00 13.14 C ATOM 565 C ALA A 37 6.432 1.762 9.489 1.00 5.10 C ATOM 566 O ALA A 37 7.044 2.320 10.400 1.00 14.52 O ATOM 567 CB ALA A 37 6.992 3.410 7.697 1.00 64.42 C ATOM 0 H ALA A 37 4.817 3.596 9.773 1.00 14.43 H new ATOM 0 HA ALA A 37 5.525 1.880 7.552 1.00 13.14 H new ATOM 0 HB1 ALA A 37 7.803 2.764 7.362 1.00 64.42 H new ATOM 0 HB2 ALA A 37 6.592 3.960 6.845 1.00 64.42 H new ATOM 0 HB3 ALA A 37 7.371 4.114 8.438 1.00 64.42 H new ATOM 573 N ASP A 38 6.191 0.462 9.481 1.00 24.31 N ATOM 574 CA ASP A 38 6.567 -0.381 10.611 1.00 13.30 C ATOM 575 C ASP A 38 7.297 -1.627 10.124 1.00 24.14 C ATOM 576 O ASP A 38 7.388 -1.874 8.918 1.00 42.10 O ATOM 577 CB ASP A 38 5.321 -0.781 11.407 1.00 43.55 C ATOM 578 CG ASP A 38 5.580 -0.916 12.896 1.00 65.31 C ATOM 579 OD1 ASP A 38 6.588 -1.530 13.292 1.00 72.34 O ATOM 580 OD2 ASP A 38 4.757 -0.407 13.687 1.00 44.35 O ATOM 0 H ASP A 38 5.740 -0.033 8.712 1.00 24.31 H new ATOM 0 HA ASP A 38 7.236 0.185 11.260 1.00 13.30 H new ATOM 0 HB2 ASP A 38 4.541 -0.037 11.247 1.00 43.55 H new ATOM 0 HB3 ASP A 38 4.941 -1.728 11.024 1.00 43.55 H new ATOM 585 N VAL A 39 7.809 -2.410 11.060 1.00 53.23 N ATOM 586 CA VAL A 39 8.530 -3.622 10.731 1.00 70.22 C ATOM 587 C VAL A 39 7.662 -4.853 10.975 1.00 71.25 C ATOM 588 O VAL A 39 7.056 -5.004 12.038 1.00 65.52 O ATOM 589 CB VAL A 39 9.840 -3.731 11.543 1.00 14.02 C ATOM 590 CG1 VAL A 39 10.847 -2.693 11.074 1.00 20.13 C ATOM 591 CG2 VAL A 39 9.578 -3.570 13.035 1.00 54.44 C ATOM 0 H VAL A 39 7.736 -2.223 12.060 1.00 53.23 H new ATOM 0 HA VAL A 39 8.784 -3.575 9.672 1.00 70.22 H new ATOM 0 HB VAL A 39 10.254 -4.725 11.375 1.00 14.02 H new ATOM 0 HG11 VAL A 39 11.763 -2.785 11.657 1.00 20.13 H new ATOM 0 HG12 VAL A 39 11.071 -2.854 10.019 1.00 20.13 H new ATOM 0 HG13 VAL A 39 10.430 -1.695 11.208 1.00 20.13 H new ATOM 0 HG21 VAL A 39 10.518 -3.651 13.580 1.00 54.44 H new ATOM 0 HG22 VAL A 39 9.133 -2.593 13.223 1.00 54.44 H new ATOM 0 HG23 VAL A 39 8.895 -4.350 13.371 1.00 54.44 H new ATOM 601 N GLY A 40 7.603 -5.730 9.981 1.00 63.25 N ATOM 602 CA GLY A 40 6.816 -6.941 10.107 1.00 34.10 C ATOM 603 C GLY A 40 5.342 -6.709 9.830 1.00 54.40 C ATOM 604 O GLY A 40 4.658 -6.026 10.594 1.00 14.22 O ATOM 0 H GLY A 40 8.087 -5.624 9.089 1.00 63.25 H new ATOM 0 HA2 GLY A 40 7.198 -7.692 9.416 1.00 34.10 H new ATOM 0 HA3 GLY A 40 6.934 -7.344 11.113 1.00 34.10 H new ATOM 608 N LYS A 41 4.850 -7.263 8.730 1.00 33.02 N ATOM 609 CA LYS A 41 3.442 -7.140 8.386 1.00 55.51 C ATOM 610 C LYS A 41 2.742 -8.478 8.576 1.00 12.02 C ATOM 611 O LYS A 41 2.878 -9.388 7.759 1.00 50.11 O ATOM 612 CB LYS A 41 3.267 -6.647 6.944 1.00 44.42 C ATOM 613 CG LYS A 41 1.817 -6.371 6.569 1.00 23.31 C ATOM 614 CD LYS A 41 1.680 -5.915 5.124 1.00 51.31 C ATOM 615 CE LYS A 41 0.231 -5.606 4.776 1.00 52.32 C ATOM 616 NZ LYS A 41 0.073 -5.195 3.353 1.00 10.43 N ATOM 0 H LYS A 41 5.404 -7.800 8.063 1.00 33.02 H new ATOM 0 HA LYS A 41 2.990 -6.403 9.050 1.00 55.51 H new ATOM 0 HB2 LYS A 41 3.849 -5.736 6.807 1.00 44.42 H new ATOM 0 HB3 LYS A 41 3.675 -7.392 6.261 1.00 44.42 H new ATOM 0 HG2 LYS A 41 1.225 -7.273 6.722 1.00 23.31 H new ATOM 0 HG3 LYS A 41 1.410 -5.606 7.231 1.00 23.31 H new ATOM 0 HD2 LYS A 41 2.292 -5.028 4.961 1.00 51.31 H new ATOM 0 HD3 LYS A 41 2.059 -6.691 4.458 1.00 51.31 H new ATOM 0 HE2 LYS A 41 -0.383 -6.485 4.970 1.00 52.32 H new ATOM 0 HE3 LYS A 41 -0.136 -4.811 5.426 1.00 52.32 H new ATOM 0 HZ1 LYS A 41 -0.885 -4.817 3.205 1.00 10.43 H new ATOM 0 HZ2 LYS A 41 0.774 -4.462 3.124 1.00 10.43 H new ATOM 0 HZ3 LYS A 41 0.219 -6.019 2.735 1.00 10.43 H new ATOM 630 N ASN A 42 2.025 -8.598 9.682 1.00 43.13 N ATOM 631 CA ASN A 42 1.288 -9.814 9.998 1.00 63.24 C ATOM 632 C ASN A 42 0.022 -9.461 10.769 1.00 11.22 C ATOM 633 O ASN A 42 0.027 -8.527 11.570 1.00 24.11 O ATOM 634 CB ASN A 42 2.159 -10.773 10.820 1.00 23.33 C ATOM 635 CG ASN A 42 2.232 -12.164 10.214 1.00 74.11 C ATOM 636 OD1 ASN A 42 2.088 -12.340 9.005 1.00 4.11 O ATOM 637 ND2 ASN A 42 2.470 -13.163 11.049 1.00 44.34 N ATOM 0 H ASN A 42 1.937 -7.862 10.382 1.00 43.13 H new ATOM 0 HA ASN A 42 1.014 -10.312 9.068 1.00 63.24 H new ATOM 0 HB2 ASN A 42 3.166 -10.363 10.902 1.00 23.33 H new ATOM 0 HB3 ASN A 42 1.760 -10.843 11.832 1.00 23.33 H new ATOM 0 HD21 ASN A 42 2.540 -14.117 10.696 1.00 44.34 H new ATOM 0 HD22 ASN A 42 2.584 -12.978 12.046 1.00 44.34 H new ATOM 644 N PRO A 43 -1.077 -10.202 10.534 1.00 50.32 N ATOM 645 CA PRO A 43 -2.381 -9.936 11.165 1.00 52.32 C ATOM 646 C PRO A 43 -2.297 -9.765 12.682 1.00 1.03 C ATOM 647 O PRO A 43 -2.738 -8.751 13.222 1.00 4.24 O ATOM 648 CB PRO A 43 -3.201 -11.177 10.814 1.00 24.34 C ATOM 649 CG PRO A 43 -2.614 -11.656 9.532 1.00 64.13 C ATOM 650 CD PRO A 43 -1.144 -11.351 9.609 1.00 52.20 C ATOM 0 HA PRO A 43 -2.810 -8.999 10.810 1.00 52.32 H new ATOM 0 HB2 PRO A 43 -3.127 -11.936 11.593 1.00 24.34 H new ATOM 0 HB3 PRO A 43 -4.258 -10.937 10.702 1.00 24.34 H new ATOM 0 HG2 PRO A 43 -2.784 -12.725 9.400 1.00 64.13 H new ATOM 0 HG3 PRO A 43 -3.073 -11.153 8.681 1.00 64.13 H new ATOM 0 HD2 PRO A 43 -0.577 -12.202 9.985 1.00 52.20 H new ATOM 0 HD3 PRO A 43 -0.734 -11.102 8.630 1.00 52.20 H new ATOM 658 N ALA A 44 -1.714 -10.747 13.364 1.00 62.20 N ATOM 659 CA ALA A 44 -1.612 -10.716 14.824 1.00 14.15 C ATOM 660 C ALA A 44 -0.683 -9.600 15.295 1.00 72.31 C ATOM 661 O ALA A 44 -0.846 -9.060 16.391 1.00 63.21 O ATOM 662 CB ALA A 44 -1.137 -12.061 15.353 1.00 72.03 C ATOM 0 H ALA A 44 -1.304 -11.575 12.931 1.00 62.20 H new ATOM 0 HA ALA A 44 -2.606 -10.513 15.222 1.00 14.15 H new ATOM 0 HB1 ALA A 44 -1.067 -12.020 16.440 1.00 72.03 H new ATOM 0 HB2 ALA A 44 -1.846 -12.837 15.064 1.00 72.03 H new ATOM 0 HB3 ALA A 44 -0.157 -12.291 14.935 1.00 72.03 H new ATOM 668 N ALA A 45 0.276 -9.243 14.457 1.00 15.14 N ATOM 669 CA ALA A 45 1.220 -8.187 14.787 1.00 34.33 C ATOM 670 C ALA A 45 0.547 -6.823 14.689 1.00 20.41 C ATOM 671 O ALA A 45 0.864 -5.902 15.443 1.00 41.43 O ATOM 672 CB ALA A 45 2.427 -8.254 13.865 1.00 54.21 C ATOM 0 H ALA A 45 0.422 -9.669 13.542 1.00 15.14 H new ATOM 0 HA ALA A 45 1.559 -8.330 15.813 1.00 34.33 H new ATOM 0 HB1 ALA A 45 3.126 -7.458 14.122 1.00 54.21 H new ATOM 0 HB2 ALA A 45 2.919 -9.220 13.979 1.00 54.21 H new ATOM 0 HB3 ALA A 45 2.103 -8.132 12.832 1.00 54.21 H new ATOM 678 N ALA A 46 -0.399 -6.705 13.764 1.00 34.33 N ATOM 679 CA ALA A 46 -1.123 -5.457 13.553 1.00 43.05 C ATOM 680 C ALA A 46 -2.128 -5.202 14.672 1.00 23.11 C ATOM 681 O ALA A 46 -2.610 -4.086 14.838 1.00 14.14 O ATOM 682 CB ALA A 46 -1.828 -5.473 12.204 1.00 10.45 C ATOM 0 H ALA A 46 -0.684 -7.464 13.145 1.00 34.33 H new ATOM 0 HA ALA A 46 -0.396 -4.645 13.562 1.00 43.05 H new ATOM 0 HB1 ALA A 46 -2.364 -4.534 12.062 1.00 10.45 H new ATOM 0 HB2 ALA A 46 -1.091 -5.594 11.410 1.00 10.45 H new ATOM 0 HB3 ALA A 46 -2.535 -6.302 12.173 1.00 10.45 H new ATOM 688 N THR A 47 -2.438 -6.242 15.435 1.00 63.33 N ATOM 689 CA THR A 47 -3.400 -6.134 16.523 1.00 44.55 C ATOM 690 C THR A 47 -2.827 -5.343 17.706 1.00 61.11 C ATOM 691 O THR A 47 -3.537 -4.571 18.355 1.00 41.11 O ATOM 692 CB THR A 47 -3.834 -7.534 17.002 1.00 51.53 C ATOM 693 OG1 THR A 47 -4.181 -8.344 15.870 1.00 3.11 O ATOM 694 CG2 THR A 47 -5.025 -7.446 17.945 1.00 4.11 C ATOM 0 H THR A 47 -2.036 -7.172 15.320 1.00 63.33 H new ATOM 0 HA THR A 47 -4.267 -5.597 16.138 1.00 44.55 H new ATOM 0 HB THR A 47 -3.000 -7.984 17.541 1.00 51.53 H new ATOM 0 HG1 THR A 47 -4.455 -9.234 16.176 1.00 3.11 H new ATOM 0 HG21 THR A 47 -5.309 -8.448 18.267 1.00 4.11 H new ATOM 0 HG22 THR A 47 -4.756 -6.848 18.816 1.00 4.11 H new ATOM 0 HG23 THR A 47 -5.864 -6.979 17.429 1.00 4.11 H new ATOM 702 N MET A 48 -1.541 -5.528 17.973 1.00 5.30 N ATOM 703 CA MET A 48 -0.900 -4.898 19.126 1.00 34.53 C ATOM 704 C MET A 48 -0.640 -3.416 18.865 1.00 21.40 C ATOM 705 O MET A 48 -0.934 -2.563 19.704 1.00 33.01 O ATOM 706 CB MET A 48 0.408 -5.616 19.464 1.00 53.25 C ATOM 707 CG MET A 48 0.222 -7.076 19.851 1.00 0.12 C ATOM 708 SD MET A 48 1.773 -7.884 20.296 1.00 32.11 S ATOM 709 CE MET A 48 2.695 -7.701 18.769 1.00 52.21 C ATOM 0 H MET A 48 -0.919 -6.108 17.409 1.00 5.30 H new ATOM 0 HA MET A 48 -1.576 -4.979 19.977 1.00 34.53 H new ATOM 0 HB2 MET A 48 1.076 -5.559 18.604 1.00 53.25 H new ATOM 0 HB3 MET A 48 0.899 -5.092 20.284 1.00 53.25 H new ATOM 0 HG2 MET A 48 -0.470 -7.139 20.691 1.00 0.12 H new ATOM 0 HG3 MET A 48 -0.236 -7.612 19.020 1.00 0.12 H new ATOM 0 HE1 MET A 48 3.309 -8.587 18.606 1.00 52.21 H new ATOM 0 HE2 MET A 48 2.001 -7.583 17.937 1.00 52.21 H new ATOM 0 HE3 MET A 48 3.336 -6.822 18.834 1.00 52.21 H new ATOM 719 N ARG A 49 -0.082 -3.116 17.700 1.00 31.12 N ATOM 720 CA ARG A 49 0.142 -1.737 17.286 1.00 24.45 C ATOM 721 C ARG A 49 -1.181 -1.083 16.891 1.00 45.32 C ATOM 722 O ARG A 49 -1.991 -1.681 16.186 1.00 25.44 O ATOM 723 CB ARG A 49 1.144 -1.687 16.121 1.00 52.52 C ATOM 724 CG ARG A 49 0.938 -2.794 15.097 1.00 33.20 C ATOM 725 CD ARG A 49 1.885 -2.678 13.907 1.00 63.34 C ATOM 726 NE ARG A 49 3.302 -2.653 14.286 1.00 70.12 N ATOM 727 CZ ARG A 49 4.012 -3.724 14.661 1.00 44.34 C ATOM 728 NH1 ARG A 49 3.415 -4.885 14.907 1.00 72.02 N ATOM 729 NH2 ARG A 49 5.326 -3.622 14.814 1.00 32.30 N ATOM 0 H ARG A 49 0.225 -3.813 17.022 1.00 31.12 H new ATOM 0 HA ARG A 49 0.563 -1.181 18.124 1.00 24.45 H new ATOM 0 HB2 ARG A 49 1.062 -0.721 15.622 1.00 52.52 H new ATOM 0 HB3 ARG A 49 2.156 -1.755 16.519 1.00 52.52 H new ATOM 0 HG2 ARG A 49 1.083 -3.761 15.579 1.00 33.20 H new ATOM 0 HG3 ARG A 49 -0.092 -2.767 14.741 1.00 33.20 H new ATOM 0 HD2 ARG A 49 1.712 -3.517 13.233 1.00 63.34 H new ATOM 0 HD3 ARG A 49 1.649 -1.770 13.353 1.00 63.34 H new ATOM 0 HE ARG A 49 3.782 -1.753 14.262 1.00 70.12 H new ATOM 0 HH11 ARG A 49 2.403 -4.969 14.811 1.00 72.02 H new ATOM 0 HH12 ARG A 49 3.969 -5.693 15.192 1.00 72.02 H new ATOM 0 HH21 ARG A 49 5.791 -2.730 14.646 1.00 32.30 H new ATOM 0 HH22 ARG A 49 5.871 -4.436 15.100 1.00 32.30 H new ATOM 743 N ASN A 50 -1.385 0.153 17.326 1.00 22.45 N ATOM 744 CA ASN A 50 -2.655 0.849 17.110 1.00 24.43 C ATOM 745 C ASN A 50 -2.750 1.430 15.701 1.00 71.51 C ATOM 746 O ASN A 50 -3.557 2.319 15.436 1.00 31.44 O ATOM 747 CB ASN A 50 -2.860 1.947 18.159 1.00 21.14 C ATOM 748 CG ASN A 50 -1.651 2.845 18.333 1.00 62.51 C ATOM 749 OD1 ASN A 50 -1.503 3.857 17.648 1.00 23.20 O ATOM 750 ND2 ASN A 50 -0.782 2.482 19.266 1.00 74.20 N ATOM 0 H ASN A 50 -0.688 0.699 17.832 1.00 22.45 H new ATOM 0 HA ASN A 50 -3.451 0.112 17.217 1.00 24.43 H new ATOM 0 HB2 ASN A 50 -3.718 2.556 17.874 1.00 21.14 H new ATOM 0 HB3 ASN A 50 -3.101 1.485 19.116 1.00 21.14 H new ATOM 0 HD21 ASN A 50 0.048 3.050 19.439 1.00 74.20 H new ATOM 0 HD22 ASN A 50 -0.943 1.635 19.811 1.00 74.20 H new ATOM 757 N VAL A 51 -1.927 0.905 14.803 1.00 55.03 N ATOM 758 CA VAL A 51 -2.017 1.223 13.383 1.00 10.32 C ATOM 759 C VAL A 51 -3.299 0.627 12.811 1.00 31.24 C ATOM 760 O VAL A 51 -3.861 1.128 11.835 1.00 70.33 O ATOM 761 CB VAL A 51 -0.806 0.671 12.598 1.00 4.12 C ATOM 762 CG1 VAL A 51 -0.840 1.135 11.148 1.00 24.43 C ATOM 763 CG2 VAL A 51 0.502 1.078 13.258 1.00 14.15 C ATOM 0 H VAL A 51 -1.181 0.249 15.036 1.00 55.03 H new ATOM 0 HA VAL A 51 -2.022 2.308 13.281 1.00 10.32 H new ATOM 0 HB VAL A 51 -0.869 -0.417 12.610 1.00 4.12 H new ATOM 0 HG11 VAL A 51 0.023 0.733 10.617 1.00 24.43 H new ATOM 0 HG12 VAL A 51 -1.755 0.780 10.674 1.00 24.43 H new ATOM 0 HG13 VAL A 51 -0.812 2.224 11.114 1.00 24.43 H new ATOM 0 HG21 VAL A 51 1.339 0.677 12.686 1.00 14.15 H new ATOM 0 HG22 VAL A 51 0.571 2.165 13.288 1.00 14.15 H new ATOM 0 HG23 VAL A 51 0.535 0.684 14.274 1.00 14.15 H new ATOM 773 N ALA A 52 -3.739 -0.465 13.437 1.00 34.52 N ATOM 774 CA ALA A 52 -4.924 -1.202 13.005 1.00 55.14 C ATOM 775 C ALA A 52 -6.150 -0.301 12.872 1.00 54.41 C ATOM 776 O ALA A 52 -7.030 -0.565 12.053 1.00 2.31 O ATOM 777 CB ALA A 52 -5.214 -2.341 13.969 1.00 73.02 C ATOM 0 H ALA A 52 -3.283 -0.863 14.258 1.00 34.52 H new ATOM 0 HA ALA A 52 -4.710 -1.607 12.016 1.00 55.14 H new ATOM 0 HB1 ALA A 52 -6.099 -2.883 13.636 1.00 73.02 H new ATOM 0 HB2 ALA A 52 -4.362 -3.020 13.996 1.00 73.02 H new ATOM 0 HB3 ALA A 52 -5.389 -1.938 14.966 1.00 73.02 H new ATOM 783 N GLY A 53 -6.210 0.754 13.673 1.00 73.44 N ATOM 784 CA GLY A 53 -7.319 1.685 13.584 1.00 31.13 C ATOM 785 C GLY A 53 -7.355 2.406 12.249 1.00 30.35 C ATOM 786 O GLY A 53 -8.400 2.483 11.598 1.00 3.35 O ATOM 0 H GLY A 53 -5.513 0.982 14.382 1.00 73.44 H new ATOM 0 HA2 GLY A 53 -8.256 1.147 13.730 1.00 31.13 H new ATOM 0 HA3 GLY A 53 -7.243 2.417 14.388 1.00 31.13 H new ATOM 790 N GLU A 54 -6.201 2.912 11.834 1.00 53.44 N ATOM 791 CA GLU A 54 -6.085 3.653 10.586 1.00 32.54 C ATOM 792 C GLU A 54 -6.310 2.746 9.379 1.00 10.25 C ATOM 793 O GLU A 54 -7.055 3.093 8.462 1.00 34.53 O ATOM 794 CB GLU A 54 -4.712 4.325 10.485 1.00 50.10 C ATOM 795 CG GLU A 54 -4.607 5.654 11.227 1.00 23.52 C ATOM 796 CD GLU A 54 -4.861 5.540 12.716 1.00 33.22 C ATOM 797 OE1 GLU A 54 -3.941 5.136 13.451 1.00 55.40 O ATOM 798 OE2 GLU A 54 -5.982 5.867 13.159 1.00 54.11 O ATOM 0 H GLU A 54 -5.325 2.821 12.349 1.00 53.44 H new ATOM 0 HA GLU A 54 -6.858 4.421 10.585 1.00 32.54 H new ATOM 0 HB2 GLU A 54 -3.957 3.643 10.877 1.00 50.10 H new ATOM 0 HB3 GLU A 54 -4.478 4.490 9.433 1.00 50.10 H new ATOM 0 HG2 GLU A 54 -3.613 6.072 11.068 1.00 23.52 H new ATOM 0 HG3 GLU A 54 -5.321 6.357 10.798 1.00 23.52 H new ATOM 805 N ILE A 55 -5.676 1.575 9.386 1.00 25.33 N ATOM 806 CA ILE A 55 -5.773 0.661 8.254 1.00 43.35 C ATOM 807 C ILE A 55 -7.188 0.111 8.099 1.00 3.32 C ATOM 808 O ILE A 55 -7.641 -0.143 6.987 1.00 32.35 O ATOM 809 CB ILE A 55 -4.768 -0.504 8.357 1.00 11.13 C ATOM 810 CG1 ILE A 55 -4.957 -1.283 9.658 1.00 13.41 C ATOM 811 CG2 ILE A 55 -3.341 0.017 8.236 1.00 23.41 C ATOM 812 CD1 ILE A 55 -4.091 -2.521 9.755 1.00 40.12 C ATOM 0 H ILE A 55 -5.096 1.241 10.155 1.00 25.33 H new ATOM 0 HA ILE A 55 -5.523 1.245 7.368 1.00 43.35 H new ATOM 0 HB ILE A 55 -4.956 -1.191 7.532 1.00 11.13 H new ATOM 0 HG12 ILE A 55 -4.734 -0.627 10.500 1.00 13.41 H new ATOM 0 HG13 ILE A 55 -6.004 -1.574 9.749 1.00 13.41 H new ATOM 0 HG21 ILE A 55 -2.642 -0.816 8.310 1.00 23.41 H new ATOM 0 HG22 ILE A 55 -3.215 0.512 7.273 1.00 23.41 H new ATOM 0 HG23 ILE A 55 -3.144 0.729 9.038 1.00 23.41 H new ATOM 0 HD11 ILE A 55 -4.279 -3.023 10.704 1.00 40.12 H new ATOM 0 HD12 ILE A 55 -4.329 -3.197 8.934 1.00 40.12 H new ATOM 0 HD13 ILE A 55 -3.041 -2.236 9.697 1.00 40.12 H new ATOM 824 N ALA A 56 -7.885 -0.061 9.215 1.00 13.22 N ATOM 825 CA ALA A 56 -9.273 -0.508 9.186 1.00 52.00 C ATOM 826 C ALA A 56 -10.162 0.536 8.520 1.00 31.41 C ATOM 827 O ALA A 56 -11.060 0.201 7.747 1.00 5.05 O ATOM 828 CB ALA A 56 -9.768 -0.800 10.593 1.00 40.12 C ATOM 0 H ALA A 56 -7.513 0.102 10.151 1.00 13.22 H new ATOM 0 HA ALA A 56 -9.322 -1.427 8.601 1.00 52.00 H new ATOM 0 HB1 ALA A 56 -10.805 -1.132 10.552 1.00 40.12 H new ATOM 0 HB2 ALA A 56 -9.154 -1.582 11.040 1.00 40.12 H new ATOM 0 HB3 ALA A 56 -9.700 0.104 11.198 1.00 40.12 H new ATOM 834 N ALA A 57 -9.896 1.804 8.810 1.00 20.44 N ATOM 835 CA ALA A 57 -10.658 2.897 8.223 1.00 64.11 C ATOM 836 C ALA A 57 -10.314 3.060 6.747 1.00 0.21 C ATOM 837 O ALA A 57 -11.167 3.411 5.935 1.00 71.44 O ATOM 838 CB ALA A 57 -10.396 4.188 8.980 1.00 73.14 C ATOM 0 H ALA A 57 -9.158 2.100 9.449 1.00 20.44 H new ATOM 0 HA ALA A 57 -11.719 2.660 8.300 1.00 64.11 H new ATOM 0 HB1 ALA A 57 -10.972 4.997 8.530 1.00 73.14 H new ATOM 0 HB2 ALA A 57 -10.694 4.066 10.021 1.00 73.14 H new ATOM 0 HB3 ALA A 57 -9.334 4.429 8.932 1.00 73.14 H new ATOM 844 N ALA A 58 -9.059 2.790 6.406 1.00 34.33 N ATOM 845 CA ALA A 58 -8.610 2.855 5.021 1.00 71.22 C ATOM 846 C ALA A 58 -9.147 1.670 4.228 1.00 2.50 C ATOM 847 O ALA A 58 -9.342 1.752 3.015 1.00 74.11 O ATOM 848 CB ALA A 58 -7.091 2.891 4.953 1.00 11.34 C ATOM 0 H ALA A 58 -8.333 2.524 7.072 1.00 34.33 H new ATOM 0 HA ALA A 58 -8.998 3.772 4.579 1.00 71.22 H new ATOM 0 HB1 ALA A 58 -6.774 2.939 3.911 1.00 11.34 H new ATOM 0 HB2 ALA A 58 -6.724 3.769 5.485 1.00 11.34 H new ATOM 0 HB3 ALA A 58 -6.685 1.991 5.414 1.00 11.34 H new ATOM 854 N LEU A 59 -9.391 0.569 4.929 1.00 25.32 N ATOM 855 CA LEU A 59 -9.916 -0.644 4.313 1.00 60.43 C ATOM 856 C LEU A 59 -11.327 -0.412 3.781 1.00 5.43 C ATOM 857 O LEU A 59 -11.732 -1.004 2.780 1.00 4.23 O ATOM 858 CB LEU A 59 -9.927 -1.789 5.331 1.00 33.11 C ATOM 859 CG LEU A 59 -10.217 -3.180 4.761 1.00 55.24 C ATOM 860 CD1 LEU A 59 -9.142 -3.582 3.763 1.00 4.13 C ATOM 861 CD2 LEU A 59 -10.311 -4.202 5.884 1.00 0.45 C ATOM 0 H LEU A 59 -9.232 0.492 5.934 1.00 25.32 H new ATOM 0 HA LEU A 59 -9.269 -0.912 3.478 1.00 60.43 H new ATOM 0 HB2 LEU A 59 -8.959 -1.816 5.831 1.00 33.11 H new ATOM 0 HB3 LEU A 59 -10.673 -1.566 6.093 1.00 33.11 H new ATOM 0 HG LEU A 59 -11.174 -3.148 4.240 1.00 55.24 H new ATOM 0 HD11 LEU A 59 -9.364 -4.573 3.368 1.00 4.13 H new ATOM 0 HD12 LEU A 59 -9.118 -2.862 2.945 1.00 4.13 H new ATOM 0 HD13 LEU A 59 -8.172 -3.599 4.260 1.00 4.13 H new ATOM 0 HD21 LEU A 59 -10.518 -5.186 5.464 1.00 0.45 H new ATOM 0 HD22 LEU A 59 -9.368 -4.231 6.430 1.00 0.45 H new ATOM 0 HD23 LEU A 59 -11.115 -3.922 6.564 1.00 0.45 H new ATOM 873 N TYR A 60 -12.068 0.463 4.450 1.00 41.21 N ATOM 874 CA TYR A 60 -13.433 0.773 4.041 1.00 64.00 C ATOM 875 C TYR A 60 -13.440 1.485 2.690 1.00 51.33 C ATOM 876 O TYR A 60 -14.409 1.396 1.934 1.00 63.15 O ATOM 877 CB TYR A 60 -14.134 1.633 5.096 1.00 65.34 C ATOM 878 CG TYR A 60 -15.636 1.706 4.907 1.00 0.24 C ATOM 879 CD1 TYR A 60 -16.425 0.578 5.087 1.00 51.04 C ATOM 880 CD2 TYR A 60 -16.262 2.892 4.543 1.00 70.23 C ATOM 881 CE1 TYR A 60 -17.794 0.627 4.914 1.00 42.20 C ATOM 882 CE2 TYR A 60 -17.634 2.949 4.369 1.00 34.33 C ATOM 883 CZ TYR A 60 -18.394 1.812 4.555 1.00 12.12 C ATOM 884 OH TYR A 60 -19.762 1.858 4.392 1.00 0.25 O ATOM 0 H TYR A 60 -11.748 0.969 5.276 1.00 41.21 H new ATOM 0 HA TYR A 60 -13.978 -0.166 3.943 1.00 64.00 H new ATOM 0 HB2 TYR A 60 -13.918 1.230 6.085 1.00 65.34 H new ATOM 0 HB3 TYR A 60 -13.721 2.641 5.066 1.00 65.34 H new ATOM 0 HD1 TYR A 60 -15.959 -0.355 5.368 1.00 51.04 H new ATOM 0 HD2 TYR A 60 -15.669 3.782 4.394 1.00 70.23 H new ATOM 0 HE1 TYR A 60 -18.391 -0.261 5.060 1.00 42.20 H new ATOM 0 HE2 TYR A 60 -18.107 3.878 4.089 1.00 34.33 H new ATOM 0 HH TYR A 60 -20.031 2.766 4.139 1.00 0.25 H new ATOM 894 N ALA A 61 -12.349 2.179 2.384 1.00 4.03 N ATOM 895 CA ALA A 61 -12.198 2.823 1.085 1.00 61.22 C ATOM 896 C ALA A 61 -12.090 1.765 -0.007 1.00 34.14 C ATOM 897 O ALA A 61 -12.619 1.931 -1.103 1.00 35.04 O ATOM 898 CB ALA A 61 -10.978 3.733 1.075 1.00 42.40 C ATOM 0 H ALA A 61 -11.559 2.310 3.016 1.00 4.03 H new ATOM 0 HA ALA A 61 -13.077 3.438 0.893 1.00 61.22 H new ATOM 0 HB1 ALA A 61 -10.883 4.204 0.097 1.00 42.40 H new ATOM 0 HB2 ALA A 61 -11.092 4.502 1.839 1.00 42.40 H new ATOM 0 HB3 ALA A 61 -10.084 3.145 1.283 1.00 42.40 H new ATOM 904 N VAL A 62 -11.421 0.666 0.323 1.00 41.34 N ATOM 905 CA VAL A 62 -11.312 -0.481 -0.568 1.00 32.14 C ATOM 906 C VAL A 62 -12.687 -1.109 -0.779 1.00 74.25 C ATOM 907 O VAL A 62 -13.034 -1.541 -1.882 1.00 11.31 O ATOM 908 CB VAL A 62 -10.345 -1.536 0.020 1.00 34.13 C ATOM 909 CG1 VAL A 62 -10.273 -2.777 -0.857 1.00 12.44 C ATOM 910 CG2 VAL A 62 -8.961 -0.937 0.221 1.00 41.34 C ATOM 0 H VAL A 62 -10.940 0.546 1.214 1.00 41.34 H new ATOM 0 HA VAL A 62 -10.919 -0.138 -1.525 1.00 32.14 H new ATOM 0 HB VAL A 62 -10.736 -1.842 0.990 1.00 34.13 H new ATOM 0 HG11 VAL A 62 -9.585 -3.496 -0.414 1.00 12.44 H new ATOM 0 HG12 VAL A 62 -11.264 -3.224 -0.937 1.00 12.44 H new ATOM 0 HG13 VAL A 62 -9.919 -2.501 -1.850 1.00 12.44 H new ATOM 0 HG21 VAL A 62 -8.294 -1.693 0.635 1.00 41.34 H new ATOM 0 HG22 VAL A 62 -8.570 -0.594 -0.737 1.00 41.34 H new ATOM 0 HG23 VAL A 62 -9.026 -0.094 0.909 1.00 41.34 H new ATOM 920 N LYS A 63 -13.472 -1.129 0.289 1.00 4.04 N ATOM 921 CA LYS A 63 -14.817 -1.684 0.257 1.00 64.11 C ATOM 922 C LYS A 63 -15.718 -0.831 -0.646 1.00 24.12 C ATOM 923 O LYS A 63 -16.580 -1.354 -1.351 1.00 75.40 O ATOM 924 CB LYS A 63 -15.369 -1.756 1.691 1.00 4.23 C ATOM 925 CG LYS A 63 -16.509 -2.747 1.892 1.00 3.13 C ATOM 926 CD LYS A 63 -17.832 -2.214 1.376 1.00 15.24 C ATOM 927 CE LYS A 63 -18.936 -3.245 1.514 1.00 53.41 C ATOM 928 NZ LYS A 63 -20.223 -2.750 0.964 1.00 34.35 N ATOM 0 H LYS A 63 -13.195 -0.762 1.199 1.00 4.04 H new ATOM 0 HA LYS A 63 -14.792 -2.692 -0.157 1.00 64.11 H new ATOM 0 HB2 LYS A 63 -14.554 -2.020 2.365 1.00 4.23 H new ATOM 0 HB3 LYS A 63 -15.714 -0.764 1.982 1.00 4.23 H new ATOM 0 HG2 LYS A 63 -16.271 -3.680 1.381 1.00 3.13 H new ATOM 0 HG3 LYS A 63 -16.602 -2.980 2.953 1.00 3.13 H new ATOM 0 HD2 LYS A 63 -18.103 -1.313 1.927 1.00 15.24 H new ATOM 0 HD3 LYS A 63 -17.728 -1.928 0.329 1.00 15.24 H new ATOM 0 HE2 LYS A 63 -18.647 -4.159 0.996 1.00 53.41 H new ATOM 0 HE3 LYS A 63 -19.065 -3.502 2.566 1.00 53.41 H new ATOM 0 HZ1 LYS A 63 -20.953 -3.482 1.076 1.00 34.35 H new ATOM 0 HZ2 LYS A 63 -20.512 -1.892 1.475 1.00 34.35 H new ATOM 0 HZ3 LYS A 63 -20.107 -2.529 -0.046 1.00 34.35 H new ATOM 942 N LYS A 64 -15.514 0.480 -0.619 1.00 60.50 N ATOM 943 CA LYS A 64 -16.274 1.387 -1.474 1.00 55.35 C ATOM 944 C LYS A 64 -15.784 1.339 -2.922 1.00 72.33 C ATOM 945 O LYS A 64 -16.581 1.215 -3.851 1.00 12.31 O ATOM 946 CB LYS A 64 -16.186 2.826 -0.951 1.00 35.32 C ATOM 947 CG LYS A 64 -16.842 3.836 -1.880 1.00 73.31 C ATOM 948 CD LYS A 64 -16.731 5.258 -1.356 1.00 72.32 C ATOM 949 CE LYS A 64 -17.574 5.464 -0.110 1.00 50.15 C ATOM 950 NZ LYS A 64 -17.575 6.884 0.322 1.00 2.21 N ATOM 0 H LYS A 64 -14.831 0.939 -0.017 1.00 60.50 H new ATOM 0 HA LYS A 64 -17.313 1.057 -1.451 1.00 55.35 H new ATOM 0 HB2 LYS A 64 -16.660 2.880 0.029 1.00 35.32 H new ATOM 0 HB3 LYS A 64 -15.138 3.094 -0.814 1.00 35.32 H new ATOM 0 HG2 LYS A 64 -16.377 3.776 -2.864 1.00 73.31 H new ATOM 0 HG3 LYS A 64 -17.894 3.579 -2.008 1.00 73.31 H new ATOM 0 HD2 LYS A 64 -15.688 5.483 -1.131 1.00 72.32 H new ATOM 0 HD3 LYS A 64 -17.048 5.957 -2.130 1.00 72.32 H new ATOM 0 HE2 LYS A 64 -18.597 5.142 -0.305 1.00 50.15 H new ATOM 0 HE3 LYS A 64 -17.191 4.838 0.696 1.00 50.15 H new ATOM 0 HZ1 LYS A 64 -18.161 6.987 1.175 1.00 2.21 H new ATOM 0 HZ2 LYS A 64 -16.601 7.184 0.532 1.00 2.21 H new ATOM 0 HZ3 LYS A 64 -17.964 7.478 -0.438 1.00 2.21 H new ATOM 964 N ALA A 65 -14.468 1.426 -3.100 1.00 10.13 N ATOM 965 CA ALA A 65 -13.862 1.530 -4.428 1.00 34.21 C ATOM 966 C ALA A 65 -14.226 0.350 -5.324 1.00 75.32 C ATOM 967 O ALA A 65 -14.362 0.502 -6.539 1.00 54.41 O ATOM 968 CB ALA A 65 -12.352 1.652 -4.303 1.00 42.13 C ATOM 0 H ALA A 65 -13.794 1.427 -2.334 1.00 10.13 H new ATOM 0 HA ALA A 65 -14.262 2.427 -4.900 1.00 34.21 H new ATOM 0 HB1 ALA A 65 -11.910 1.729 -5.296 1.00 42.13 H new ATOM 0 HB2 ALA A 65 -12.106 2.543 -3.726 1.00 42.13 H new ATOM 0 HB3 ALA A 65 -11.956 0.771 -3.797 1.00 42.13 H new ATOM 974 N SER A 66 -14.402 -0.820 -4.725 1.00 63.25 N ATOM 975 CA SER A 66 -14.750 -2.020 -5.475 1.00 43.12 C ATOM 976 C SER A 66 -16.135 -1.894 -6.108 1.00 40.43 C ATOM 977 O SER A 66 -16.404 -2.485 -7.156 1.00 13.40 O ATOM 978 CB SER A 66 -14.678 -3.242 -4.559 1.00 13.05 C ATOM 979 OG SER A 66 -15.220 -2.954 -3.284 1.00 64.32 O ATOM 0 H SER A 66 -14.309 -0.964 -3.719 1.00 63.25 H new ATOM 0 HA SER A 66 -14.031 -2.144 -6.285 1.00 43.12 H new ATOM 0 HB2 SER A 66 -15.222 -4.072 -5.010 1.00 13.05 H new ATOM 0 HB3 SER A 66 -13.641 -3.561 -4.453 1.00 13.05 H new ATOM 0 HG SER A 66 -14.513 -2.612 -2.698 1.00 64.32 H new ATOM 985 N GLN A 67 -17.003 -1.102 -5.482 1.00 1.45 N ATOM 986 CA GLN A 67 -18.345 -0.863 -6.003 1.00 14.54 C ATOM 987 C GLN A 67 -18.329 0.233 -7.064 1.00 31.33 C ATOM 988 O GLN A 67 -19.111 0.200 -8.015 1.00 41.32 O ATOM 989 CB GLN A 67 -19.301 -0.482 -4.871 1.00 21.23 C ATOM 990 CG GLN A 67 -20.763 -0.712 -5.209 1.00 62.03 C ATOM 991 CD GLN A 67 -21.691 -0.363 -4.062 1.00 35.42 C ATOM 992 OE1 GLN A 67 -22.108 0.786 -3.910 1.00 32.24 O ATOM 993 NE2 GLN A 67 -22.034 -1.354 -3.255 1.00 61.01 N ATOM 0 H GLN A 67 -16.799 -0.614 -4.610 1.00 1.45 H new ATOM 0 HA GLN A 67 -18.696 -1.786 -6.464 1.00 14.54 H new ATOM 0 HB2 GLN A 67 -19.047 -1.059 -3.982 1.00 21.23 H new ATOM 0 HB3 GLN A 67 -19.155 0.569 -4.621 1.00 21.23 H new ATOM 0 HG2 GLN A 67 -21.029 -0.114 -6.081 1.00 62.03 H new ATOM 0 HG3 GLN A 67 -20.908 -1.757 -5.483 1.00 62.03 H new ATOM 0 HE21 GLN A 67 -21.667 -2.292 -3.415 1.00 61.01 H new ATOM 0 HE22 GLN A 67 -22.666 -1.180 -2.473 1.00 61.01 H new ATOM 1002 N LEU A 68 -17.439 1.204 -6.891 1.00 35.15 N ATOM 1003 CA LEU A 68 -17.308 2.302 -7.845 1.00 22.12 C ATOM 1004 C LEU A 68 -16.576 1.837 -9.098 1.00 0.41 C ATOM 1005 O LEU A 68 -16.731 2.413 -10.174 1.00 21.24 O ATOM 1006 CB LEU A 68 -16.571 3.492 -7.214 1.00 64.12 C ATOM 1007 CG LEU A 68 -17.446 4.470 -6.418 1.00 10.14 C ATOM 1008 CD1 LEU A 68 -18.149 3.773 -5.264 1.00 74.52 C ATOM 1009 CD2 LEU A 68 -16.609 5.633 -5.907 1.00 41.35 C ATOM 0 H LEU A 68 -16.797 1.254 -6.100 1.00 35.15 H new ATOM 0 HA LEU A 68 -18.311 2.627 -8.124 1.00 22.12 H new ATOM 0 HB2 LEU A 68 -15.795 3.106 -6.553 1.00 64.12 H new ATOM 0 HB3 LEU A 68 -16.068 4.046 -8.007 1.00 64.12 H new ATOM 0 HG LEU A 68 -18.213 4.856 -7.090 1.00 10.14 H new ATOM 0 HD11 LEU A 68 -18.760 4.494 -4.721 1.00 74.52 H new ATOM 0 HD12 LEU A 68 -18.785 2.978 -5.653 1.00 74.52 H new ATOM 0 HD13 LEU A 68 -17.406 3.347 -4.590 1.00 74.52 H new ATOM 0 HD21 LEU A 68 -17.243 6.318 -5.344 1.00 41.35 H new ATOM 0 HD22 LEU A 68 -15.818 5.255 -5.259 1.00 41.35 H new ATOM 0 HD23 LEU A 68 -16.165 6.160 -6.751 1.00 41.35 H new ATOM 1021 N GLY A 69 -15.769 0.798 -8.945 1.00 11.35 N ATOM 1022 CA GLY A 69 -15.076 0.222 -10.078 1.00 72.00 C ATOM 1023 C GLY A 69 -13.669 0.760 -10.227 1.00 3.21 C ATOM 1024 O GLY A 69 -12.948 0.385 -11.150 1.00 44.33 O ATOM 0 H GLY A 69 -15.581 0.342 -8.052 1.00 11.35 H new ATOM 0 HA2 GLY A 69 -15.038 -0.861 -9.965 1.00 72.00 H new ATOM 0 HA3 GLY A 69 -15.639 0.428 -10.988 1.00 72.00 H new ATOM 1028 N VAL A 70 -13.267 1.627 -9.310 1.00 12.20 N ATOM 1029 CA VAL A 70 -11.947 2.236 -9.373 1.00 52.32 C ATOM 1030 C VAL A 70 -10.959 1.496 -8.479 1.00 50.23 C ATOM 1031 O VAL A 70 -11.323 0.976 -7.425 1.00 61.54 O ATOM 1032 CB VAL A 70 -11.979 3.730 -8.984 1.00 52.24 C ATOM 1033 CG1 VAL A 70 -12.692 4.545 -10.051 1.00 62.13 C ATOM 1034 CG2 VAL A 70 -12.644 3.926 -7.627 1.00 13.13 C ATOM 0 H VAL A 70 -13.834 1.924 -8.516 1.00 12.20 H new ATOM 0 HA VAL A 70 -11.618 2.161 -10.410 1.00 52.32 H new ATOM 0 HB VAL A 70 -10.950 4.082 -8.910 1.00 52.24 H new ATOM 0 HG11 VAL A 70 -12.704 5.595 -9.759 1.00 62.13 H new ATOM 0 HG12 VAL A 70 -12.168 4.439 -11.001 1.00 62.13 H new ATOM 0 HG13 VAL A 70 -13.716 4.186 -10.159 1.00 62.13 H new ATOM 0 HG21 VAL A 70 -12.654 4.987 -7.376 1.00 13.13 H new ATOM 0 HG22 VAL A 70 -13.667 3.553 -7.666 1.00 13.13 H new ATOM 0 HG23 VAL A 70 -12.087 3.379 -6.866 1.00 13.13 H new ATOM 1044 N LYS A 71 -9.716 1.432 -8.926 1.00 44.02 N ATOM 1045 CA LYS A 71 -8.653 0.789 -8.169 1.00 14.32 C ATOM 1046 C LYS A 71 -7.445 1.711 -8.133 1.00 51.14 C ATOM 1047 O LYS A 71 -7.503 2.831 -8.643 1.00 3.41 O ATOM 1048 CB LYS A 71 -8.242 -0.554 -8.800 1.00 64.03 C ATOM 1049 CG LYS A 71 -9.373 -1.560 -8.979 1.00 12.12 C ATOM 1050 CD LYS A 71 -10.163 -1.311 -10.259 1.00 54.33 C ATOM 1051 CE LYS A 71 -11.239 -2.365 -10.461 1.00 15.55 C ATOM 1052 NZ LYS A 71 -12.011 -2.143 -11.715 1.00 54.01 N ATOM 0 H LYS A 71 -9.415 1.822 -9.819 1.00 44.02 H new ATOM 0 HA LYS A 71 -9.021 0.593 -7.162 1.00 14.32 H new ATOM 0 HB2 LYS A 71 -7.794 -0.358 -9.774 1.00 64.03 H new ATOM 0 HB3 LYS A 71 -7.469 -1.007 -8.180 1.00 64.03 H new ATOM 0 HG2 LYS A 71 -8.961 -2.569 -8.998 1.00 12.12 H new ATOM 0 HG3 LYS A 71 -10.045 -1.506 -8.122 1.00 12.12 H new ATOM 0 HD2 LYS A 71 -10.622 -0.323 -10.218 1.00 54.33 H new ATOM 0 HD3 LYS A 71 -9.485 -1.313 -11.113 1.00 54.33 H new ATOM 0 HE2 LYS A 71 -10.778 -3.352 -10.489 1.00 15.55 H new ATOM 0 HE3 LYS A 71 -11.920 -2.355 -9.610 1.00 15.55 H new ATOM 0 HZ1 LYS A 71 -12.745 -2.874 -11.805 1.00 54.01 H new ATOM 0 HZ2 LYS A 71 -12.459 -1.205 -11.686 1.00 54.01 H new ATOM 0 HZ3 LYS A 71 -11.369 -2.195 -12.532 1.00 54.01 H new ATOM 1066 N ILE A 72 -6.361 1.251 -7.530 1.00 64.10 N ATOM 1067 CA ILE A 72 -5.102 1.970 -7.608 1.00 40.54 C ATOM 1068 C ILE A 72 -4.160 1.182 -8.502 1.00 54.40 C ATOM 1069 O ILE A 72 -4.292 -0.039 -8.621 1.00 60.13 O ATOM 1070 CB ILE A 72 -4.451 2.203 -6.214 1.00 65.12 C ATOM 1071 CG1 ILE A 72 -3.847 0.918 -5.638 1.00 4.12 C ATOM 1072 CG2 ILE A 72 -5.466 2.777 -5.239 1.00 25.12 C ATOM 1073 CD1 ILE A 72 -2.364 0.763 -5.900 1.00 21.12 C ATOM 0 H ILE A 72 -6.328 0.389 -6.985 1.00 64.10 H new ATOM 0 HA ILE A 72 -5.298 2.959 -8.021 1.00 40.54 H new ATOM 0 HB ILE A 72 -3.641 2.918 -6.356 1.00 65.12 H new ATOM 0 HG12 ILE A 72 -4.019 0.898 -4.562 1.00 4.12 H new ATOM 0 HG13 ILE A 72 -4.372 0.061 -6.060 1.00 4.12 H new ATOM 0 HG21 ILE A 72 -4.992 2.933 -4.270 1.00 25.12 H new ATOM 0 HG22 ILE A 72 -5.837 3.729 -5.619 1.00 25.12 H new ATOM 0 HG23 ILE A 72 -6.298 2.081 -5.128 1.00 25.12 H new ATOM 0 HD11 ILE A 72 -2.013 -0.171 -5.461 1.00 21.12 H new ATOM 0 HD12 ILE A 72 -2.184 0.749 -6.975 1.00 21.12 H new ATOM 0 HD13 ILE A 72 -1.826 1.599 -5.453 1.00 21.12 H new ATOM 1085 N ARG A 73 -3.232 1.858 -9.149 1.00 62.24 N ATOM 1086 CA ARG A 73 -2.289 1.169 -10.006 1.00 13.23 C ATOM 1087 C ARG A 73 -0.869 1.659 -9.792 1.00 42.50 C ATOM 1088 O ARG A 73 -0.478 2.719 -10.280 1.00 51.35 O ATOM 1089 CB ARG A 73 -2.684 1.299 -11.480 1.00 24.45 C ATOM 1090 CG ARG A 73 -3.740 0.290 -11.905 1.00 63.10 C ATOM 1091 CD ARG A 73 -4.054 0.383 -13.389 1.00 23.42 C ATOM 1092 NE ARG A 73 -4.775 -0.800 -13.865 1.00 30.43 N ATOM 1093 CZ ARG A 73 -5.404 -0.877 -15.038 1.00 22.45 C ATOM 1094 NH1 ARG A 73 -5.493 0.182 -15.831 1.00 54.24 N ATOM 1095 NH2 ARG A 73 -5.965 -2.017 -15.411 1.00 52.01 N ATOM 0 H ARG A 73 -3.111 2.870 -9.099 1.00 62.24 H new ATOM 0 HA ARG A 73 -2.321 0.115 -9.732 1.00 13.23 H new ATOM 0 HB2 ARG A 73 -3.058 2.306 -11.662 1.00 24.45 H new ATOM 0 HB3 ARG A 73 -1.797 1.171 -12.101 1.00 24.45 H new ATOM 0 HG2 ARG A 73 -3.394 -0.717 -11.670 1.00 63.10 H new ATOM 0 HG3 ARG A 73 -4.651 0.456 -11.331 1.00 63.10 H new ATOM 0 HD2 ARG A 73 -4.652 1.275 -13.579 1.00 23.42 H new ATOM 0 HD3 ARG A 73 -3.127 0.495 -13.951 1.00 23.42 H new ATOM 0 HE ARG A 73 -4.797 -1.620 -13.258 1.00 30.43 H new ATOM 0 HH11 ARG A 73 -5.077 1.069 -15.546 1.00 54.24 H new ATOM 0 HH12 ARG A 73 -5.977 0.110 -16.726 1.00 54.24 H new ATOM 0 HH21 ARG A 73 -5.915 -2.833 -14.801 1.00 52.01 H new ATOM 0 HH22 ARG A 73 -6.447 -2.079 -16.308 1.00 52.01 H new ATOM 1109 N ILE A 74 -0.104 0.873 -9.050 1.00 0.25 N ATOM 1110 CA ILE A 74 1.322 1.100 -8.920 1.00 54.34 C ATOM 1111 C ILE A 74 2.033 0.409 -10.076 1.00 20.15 C ATOM 1112 O ILE A 74 1.928 -0.810 -10.238 1.00 2.14 O ATOM 1113 CB ILE A 74 1.872 0.567 -7.576 1.00 14.53 C ATOM 1114 CG1 ILE A 74 1.198 1.277 -6.396 1.00 43.53 C ATOM 1115 CG2 ILE A 74 3.385 0.741 -7.504 1.00 71.15 C ATOM 1116 CD1 ILE A 74 1.411 2.778 -6.375 1.00 52.15 C ATOM 0 H ILE A 74 -0.452 0.069 -8.527 1.00 0.25 H new ATOM 0 HA ILE A 74 1.503 2.175 -8.943 1.00 54.34 H new ATOM 0 HB ILE A 74 1.644 -0.497 -7.516 1.00 14.53 H new ATOM 0 HG12 ILE A 74 0.128 1.073 -6.426 1.00 43.53 H new ATOM 0 HG13 ILE A 74 1.577 0.854 -5.466 1.00 43.53 H new ATOM 0 HG21 ILE A 74 3.750 0.359 -6.550 1.00 71.15 H new ATOM 0 HG22 ILE A 74 3.854 0.190 -8.319 1.00 71.15 H new ATOM 0 HG23 ILE A 74 3.634 1.799 -7.591 1.00 71.15 H new ATOM 0 HD11 ILE A 74 0.903 3.205 -5.510 1.00 52.15 H new ATOM 0 HD12 ILE A 74 2.478 2.993 -6.312 1.00 52.15 H new ATOM 0 HD13 ILE A 74 1.005 3.216 -7.287 1.00 52.15 H new ATOM 1643 N ARG A 107 -7.905 -9.127 -6.038 1.00 53.34 N ATOM 1644 CA ARG A 107 -8.824 -8.679 -5.012 1.00 53.33 C ATOM 1645 C ARG A 107 -8.075 -7.888 -3.950 1.00 54.31 C ATOM 1646 O ARG A 107 -7.245 -8.426 -3.219 1.00 50.13 O ATOM 1647 CB ARG A 107 -9.571 -9.864 -4.397 1.00 71.41 C ATOM 1648 CG ARG A 107 -10.720 -10.347 -5.263 1.00 51.45 C ATOM 1649 CD ARG A 107 -11.649 -11.281 -4.509 1.00 35.55 C ATOM 1650 NE ARG A 107 -12.798 -11.661 -5.330 1.00 41.23 N ATOM 1651 CZ ARG A 107 -14.055 -11.690 -4.893 1.00 5.22 C ATOM 1652 NH1 ARG A 107 -14.335 -11.394 -3.629 1.00 44.45 N ATOM 1653 NH2 ARG A 107 -15.030 -12.011 -5.730 1.00 32.24 N ATOM 0 HA ARG A 107 -9.566 -8.023 -5.467 1.00 53.33 H new ATOM 0 HB2 ARG A 107 -8.872 -10.685 -4.237 1.00 71.41 H new ATOM 0 HB3 ARG A 107 -9.955 -9.577 -3.418 1.00 71.41 H new ATOM 0 HG2 ARG A 107 -11.286 -9.489 -5.626 1.00 51.45 H new ATOM 0 HG3 ARG A 107 -10.323 -10.860 -6.139 1.00 51.45 H new ATOM 0 HD2 ARG A 107 -11.103 -12.175 -4.207 1.00 35.55 H new ATOM 0 HD3 ARG A 107 -11.995 -10.795 -3.597 1.00 35.55 H new ATOM 0 HE ARG A 107 -12.625 -11.921 -6.301 1.00 41.23 H new ATOM 0 HH11 ARG A 107 -13.584 -11.142 -2.986 1.00 44.45 H new ATOM 0 HH12 ARG A 107 -15.301 -11.418 -3.301 1.00 44.45 H new ATOM 0 HH21 ARG A 107 -14.815 -12.234 -6.702 1.00 32.24 H new ATOM 0 HH22 ARG A 107 -15.996 -12.035 -5.403 1.00 32.24 H new ATOM 1667 N GLY A 108 -8.404 -6.612 -3.865 1.00 30.13 N ATOM 1668 CA GLY A 108 -7.668 -5.698 -3.021 1.00 44.25 C ATOM 1669 C GLY A 108 -7.335 -4.437 -3.784 1.00 54.52 C ATOM 1670 O GLY A 108 -6.394 -4.415 -4.575 1.00 2.13 O ATOM 0 H GLY A 108 -9.179 -6.187 -4.373 1.00 30.13 H new ATOM 0 HA2 GLY A 108 -8.257 -5.452 -2.138 1.00 44.25 H new ATOM 0 HA3 GLY A 108 -6.751 -6.173 -2.671 1.00 44.25 H new ATOM 1674 N ILE A 109 -8.118 -3.394 -3.552 1.00 34.31 N ATOM 1675 CA ILE A 109 -8.046 -2.171 -4.347 1.00 73.34 C ATOM 1676 C ILE A 109 -6.673 -1.505 -4.270 1.00 74.30 C ATOM 1677 O ILE A 109 -6.229 -0.892 -5.240 1.00 13.13 O ATOM 1678 CB ILE A 109 -9.145 -1.165 -3.924 1.00 40.51 C ATOM 1679 CG1 ILE A 109 -10.536 -1.768 -4.162 1.00 12.32 C ATOM 1680 CG2 ILE A 109 -9.009 0.158 -4.667 1.00 51.45 C ATOM 1681 CD1 ILE A 109 -10.801 -2.161 -5.603 1.00 12.20 C ATOM 0 H ILE A 109 -8.819 -3.368 -2.812 1.00 34.31 H new ATOM 0 HA ILE A 109 -8.213 -2.467 -5.383 1.00 73.34 H new ATOM 0 HB ILE A 109 -9.020 -0.963 -2.860 1.00 40.51 H new ATOM 0 HG12 ILE A 109 -10.652 -2.648 -3.529 1.00 12.32 H new ATOM 0 HG13 ILE A 109 -11.291 -1.048 -3.848 1.00 12.32 H new ATOM 0 HG21 ILE A 109 -9.797 0.839 -4.345 1.00 51.45 H new ATOM 0 HG22 ILE A 109 -8.036 0.599 -4.449 1.00 51.45 H new ATOM 0 HG23 ILE A 109 -9.096 -0.016 -5.739 1.00 51.45 H new ATOM 0 HD11 ILE A 109 -11.804 -2.579 -5.688 1.00 12.20 H new ATOM 0 HD12 ILE A 109 -10.719 -1.281 -6.241 1.00 12.20 H new ATOM 0 HD13 ILE A 109 -10.070 -2.906 -5.917 1.00 12.20 H new ATOM 1693 N TYR A 110 -5.991 -1.641 -3.138 1.00 11.32 N ATOM 1694 CA TYR A 110 -4.706 -0.980 -2.963 1.00 31.15 C ATOM 1695 C TYR A 110 -3.576 -1.995 -2.797 1.00 52.41 C ATOM 1696 O TYR A 110 -3.771 -3.083 -2.252 1.00 33.33 O ATOM 1697 CB TYR A 110 -4.741 -0.020 -1.761 1.00 71.15 C ATOM 1698 CG TYR A 110 -4.422 -0.659 -0.424 1.00 61.12 C ATOM 1699 CD1 TYR A 110 -5.389 -1.341 0.300 1.00 54.51 C ATOM 1700 CD2 TYR A 110 -3.142 -0.570 0.112 1.00 1.02 C ATOM 1701 CE1 TYR A 110 -5.089 -1.917 1.523 1.00 73.35 C ATOM 1702 CE2 TYR A 110 -2.835 -1.141 1.330 1.00 23.10 C ATOM 1703 CZ TYR A 110 -3.810 -1.813 2.032 1.00 43.12 C ATOM 1704 OH TYR A 110 -3.507 -2.382 3.248 1.00 71.14 O ATOM 0 H TYR A 110 -6.302 -2.195 -2.340 1.00 11.32 H new ATOM 0 HA TYR A 110 -4.511 -0.400 -3.865 1.00 31.15 H new ATOM 0 HB2 TYR A 110 -4.032 0.788 -1.939 1.00 71.15 H new ATOM 0 HB3 TYR A 110 -5.731 0.432 -1.704 1.00 71.15 H new ATOM 0 HD1 TYR A 110 -6.390 -1.424 -0.096 1.00 54.51 H new ATOM 0 HD2 TYR A 110 -2.374 -0.044 -0.435 1.00 1.02 H new ATOM 0 HE1 TYR A 110 -5.852 -2.445 2.076 1.00 73.35 H new ATOM 0 HE2 TYR A 110 -1.835 -1.061 1.730 1.00 23.10 H new ATOM 0 HH TYR A 110 -2.564 -2.218 3.460 1.00 71.14 H new ATOM 1714 N SER A 111 -2.399 -1.619 -3.278 1.00 44.20 N ATOM 1715 CA SER A 111 -1.190 -2.412 -3.124 1.00 11.23 C ATOM 1716 C SER A 111 0.007 -1.483 -3.263 1.00 14.23 C ATOM 1717 O SER A 111 -0.158 -0.325 -3.651 1.00 33.14 O ATOM 1718 CB SER A 111 -1.128 -3.524 -4.183 1.00 31.44 C ATOM 1719 OG SER A 111 -0.014 -4.382 -3.973 1.00 70.52 O ATOM 0 H SER A 111 -2.257 -0.748 -3.790 1.00 44.20 H new ATOM 0 HA SER A 111 -1.185 -2.890 -2.144 1.00 11.23 H new ATOM 0 HB2 SER A 111 -2.048 -4.107 -4.154 1.00 31.44 H new ATOM 0 HB3 SER A 111 -1.064 -3.079 -5.176 1.00 31.44 H new ATOM 0 HG SER A 111 0.717 -4.122 -4.572 1.00 70.52 H new ATOM 1725 N PHE A 112 1.194 -1.967 -2.936 1.00 31.04 N ATOM 1726 CA PHE A 112 2.399 -1.172 -3.092 1.00 14.02 C ATOM 1727 C PHE A 112 3.620 -2.067 -3.227 1.00 22.23 C ATOM 1728 O PHE A 112 3.769 -3.052 -2.501 1.00 40.13 O ATOM 1729 CB PHE A 112 2.578 -0.218 -1.908 1.00 2.24 C ATOM 1730 CG PHE A 112 3.796 0.654 -2.025 1.00 25.51 C ATOM 1731 CD1 PHE A 112 3.829 1.697 -2.936 1.00 74.03 C ATOM 1732 CD2 PHE A 112 4.910 0.421 -1.235 1.00 15.20 C ATOM 1733 CE1 PHE A 112 4.951 2.494 -3.054 1.00 31.12 C ATOM 1734 CE2 PHE A 112 6.035 1.213 -1.351 1.00 71.12 C ATOM 1735 CZ PHE A 112 6.055 2.251 -2.262 1.00 21.11 C ATOM 0 H PHE A 112 1.348 -2.903 -2.562 1.00 31.04 H new ATOM 0 HA PHE A 112 2.295 -0.582 -4.003 1.00 14.02 H new ATOM 0 HB2 PHE A 112 1.694 0.414 -1.823 1.00 2.24 H new ATOM 0 HB3 PHE A 112 2.643 -0.800 -0.989 1.00 2.24 H new ATOM 0 HD1 PHE A 112 2.969 1.889 -3.560 1.00 74.03 H new ATOM 0 HD2 PHE A 112 4.898 -0.389 -0.521 1.00 15.20 H new ATOM 0 HE1 PHE A 112 4.964 3.307 -3.765 1.00 31.12 H new ATOM 0 HE2 PHE A 112 6.898 1.021 -0.730 1.00 71.12 H new ATOM 0 HZ PHE A 112 6.934 2.872 -2.355 1.00 21.11 H new ATOM 1745 N GLU A 113 4.489 -1.707 -4.154 1.00 2.13 N ATOM 1746 CA GLU A 113 5.719 -2.439 -4.381 1.00 73.31 C ATOM 1747 C GLU A 113 6.905 -1.493 -4.247 1.00 22.12 C ATOM 1748 O GLU A 113 6.875 -0.375 -4.769 1.00 60.34 O ATOM 1749 CB GLU A 113 5.724 -3.091 -5.772 1.00 25.23 C ATOM 1750 CG GLU A 113 4.664 -4.172 -5.978 1.00 0.53 C ATOM 1751 CD GLU A 113 3.252 -3.621 -6.088 1.00 34.35 C ATOM 1752 OE1 GLU A 113 3.037 -2.698 -6.901 1.00 2.43 O ATOM 1753 OE2 GLU A 113 2.351 -4.124 -5.382 1.00 12.41 O ATOM 0 H GLU A 113 4.362 -0.902 -4.768 1.00 2.13 H new ATOM 0 HA GLU A 113 5.794 -3.231 -3.636 1.00 73.31 H new ATOM 0 HB2 GLU A 113 5.580 -2.314 -6.522 1.00 25.23 H new ATOM 0 HB3 GLU A 113 6.707 -3.528 -5.949 1.00 25.23 H new ATOM 0 HG2 GLU A 113 4.899 -4.732 -6.883 1.00 0.53 H new ATOM 0 HG3 GLU A 113 4.707 -4.876 -5.147 1.00 0.53 H new ATOM 1760 N LYS A 114 7.936 -1.925 -3.535 1.00 12.31 N ATOM 1761 CA LYS A 114 9.114 -1.099 -3.345 1.00 60.34 C ATOM 1762 C LYS A 114 10.087 -1.253 -4.507 1.00 23.44 C ATOM 1763 O LYS A 114 10.743 -2.283 -4.656 1.00 74.14 O ATOM 1764 CB LYS A 114 9.812 -1.428 -2.025 1.00 30.52 C ATOM 1765 CG LYS A 114 9.183 -0.757 -0.811 1.00 33.24 C ATOM 1766 CD LYS A 114 8.309 -1.713 -0.011 1.00 3.51 C ATOM 1767 CE LYS A 114 9.138 -2.827 0.615 1.00 63.41 C ATOM 1768 NZ LYS A 114 8.359 -3.620 1.604 1.00 34.24 N ATOM 0 H LYS A 114 7.979 -2.838 -3.083 1.00 12.31 H new ATOM 0 HA LYS A 114 8.782 -0.061 -3.309 1.00 60.34 H new ATOM 0 HB2 LYS A 114 9.800 -2.508 -1.878 1.00 30.52 H new ATOM 0 HB3 LYS A 114 10.857 -1.127 -2.093 1.00 30.52 H new ATOM 0 HG2 LYS A 114 9.970 -0.363 -0.168 1.00 33.24 H new ATOM 0 HG3 LYS A 114 8.584 0.093 -1.138 1.00 33.24 H new ATOM 0 HD2 LYS A 114 7.785 -1.163 0.771 1.00 3.51 H new ATOM 0 HD3 LYS A 114 7.548 -2.144 -0.661 1.00 3.51 H new ATOM 0 HE2 LYS A 114 9.506 -3.488 -0.169 1.00 63.41 H new ATOM 0 HE3 LYS A 114 10.012 -2.396 1.104 1.00 63.41 H new ATOM 0 HZ1 LYS A 114 8.682 -4.608 1.588 1.00 34.24 H new ATOM 0 HZ2 LYS A 114 8.501 -3.224 2.555 1.00 34.24 H new ATOM 0 HZ3 LYS A 114 7.349 -3.582 1.361 1.00 34.24 H new ATOM 1782 N VAL A 115 10.144 -0.224 -5.331 1.00 54.34 N ATOM 1783 CA VAL A 115 11.073 -0.158 -6.449 1.00 65.44 C ATOM 1784 C VAL A 115 11.930 1.092 -6.310 1.00 23.23 C ATOM 1785 O VAL A 115 11.622 1.952 -5.485 1.00 43.22 O ATOM 1786 CB VAL A 115 10.354 -0.150 -7.820 1.00 33.32 C ATOM 1787 CG1 VAL A 115 9.552 -1.427 -8.023 1.00 5.14 C ATOM 1788 CG2 VAL A 115 9.450 1.066 -7.955 1.00 51.41 C ATOM 0 H VAL A 115 9.544 0.596 -5.245 1.00 54.34 H new ATOM 0 HA VAL A 115 11.692 -1.054 -6.419 1.00 65.44 H new ATOM 0 HB VAL A 115 11.120 -0.097 -8.594 1.00 33.32 H new ATOM 0 HG11 VAL A 115 9.057 -1.395 -8.994 1.00 5.14 H new ATOM 0 HG12 VAL A 115 10.221 -2.287 -7.985 1.00 5.14 H new ATOM 0 HG13 VAL A 115 8.803 -1.515 -7.236 1.00 5.14 H new ATOM 0 HG21 VAL A 115 8.957 1.047 -8.927 1.00 51.41 H new ATOM 0 HG22 VAL A 115 8.698 1.049 -7.166 1.00 51.41 H new ATOM 0 HG23 VAL A 115 10.046 1.974 -7.868 1.00 51.41 H new ATOM 1798 N LYS A 116 13.019 1.165 -7.077 1.00 51.32 N ATOM 1799 CA LYS A 116 13.919 2.321 -7.049 1.00 42.12 C ATOM 1800 C LYS A 116 13.132 3.631 -7.032 1.00 31.32 C ATOM 1801 O LYS A 116 12.144 3.781 -7.763 1.00 40.24 O ATOM 1802 CB LYS A 116 14.853 2.299 -8.262 1.00 24.22 C ATOM 1803 CG LYS A 116 15.920 1.214 -8.211 1.00 72.24 C ATOM 1804 CD LYS A 116 16.869 1.425 -7.042 1.00 34.21 C ATOM 1805 CE LYS A 116 18.107 0.546 -7.156 1.00 31.11 C ATOM 1806 NZ LYS A 116 18.873 0.832 -8.399 1.00 2.03 N ATOM 0 H LYS A 116 13.301 0.433 -7.729 1.00 51.32 H new ATOM 0 HA LYS A 116 14.511 2.260 -6.136 1.00 42.12 H new ATOM 0 HB2 LYS A 116 14.256 2.163 -9.164 1.00 24.22 H new ATOM 0 HB3 LYS A 116 15.342 3.269 -8.347 1.00 24.22 H new ATOM 0 HG2 LYS A 116 15.444 0.237 -8.124 1.00 72.24 H new ATOM 0 HG3 LYS A 116 16.484 1.212 -9.144 1.00 72.24 H new ATOM 0 HD2 LYS A 116 17.169 2.472 -7.001 1.00 34.21 H new ATOM 0 HD3 LYS A 116 16.351 1.205 -6.108 1.00 34.21 H new ATOM 0 HE2 LYS A 116 18.748 0.706 -6.289 1.00 31.11 H new ATOM 0 HE3 LYS A 116 17.811 -0.503 -7.144 1.00 31.11 H new ATOM 0 HZ1 LYS A 116 19.865 0.549 -8.268 1.00 2.03 H new ATOM 0 HZ2 LYS A 116 18.462 0.298 -9.191 1.00 2.03 H new ATOM 0 HZ3 LYS A 116 18.828 1.850 -8.608 1.00 2.03 H new ATOM 1820 N ALA A 117 13.587 4.566 -6.195 1.00 64.21 N ATOM 1821 CA ALA A 117 12.862 5.808 -5.921 1.00 10.32 C ATOM 1822 C ALA A 117 12.398 6.506 -7.194 1.00 12.04 C ATOM 1823 O ALA A 117 13.094 6.520 -8.209 1.00 52.15 O ATOM 1824 CB ALA A 117 13.718 6.747 -5.090 1.00 2.02 C ATOM 0 H ALA A 117 14.468 4.483 -5.688 1.00 64.21 H new ATOM 0 HA ALA A 117 11.968 5.538 -5.358 1.00 10.32 H new ATOM 0 HB1 ALA A 117 13.165 7.666 -4.894 1.00 2.02 H new ATOM 0 HB2 ALA A 117 13.971 6.268 -4.144 1.00 2.02 H new ATOM 0 HB3 ALA A 117 14.633 6.982 -5.634 1.00 2.02 H new ATOM 1830 N HIS A 118 11.212 7.084 -7.122 1.00 24.30 N ATOM 1831 CA HIS A 118 10.590 7.716 -8.268 1.00 71.03 C ATOM 1832 C HIS A 118 10.966 9.188 -8.337 1.00 40.10 C ATOM 1833 O HIS A 118 11.469 9.659 -9.357 1.00 22.33 O ATOM 1834 CB HIS A 118 9.065 7.573 -8.198 1.00 50.41 C ATOM 1835 CG HIS A 118 8.580 6.156 -8.186 1.00 75.44 C ATOM 1836 ND1 HIS A 118 7.918 5.576 -9.245 1.00 62.01 N ATOM 1837 CD2 HIS A 118 8.645 5.204 -7.223 1.00 32.10 C ATOM 1838 CE1 HIS A 118 7.598 4.335 -8.935 1.00 14.51 C ATOM 1839 NE2 HIS A 118 8.027 4.082 -7.712 1.00 52.54 N ATOM 0 H HIS A 118 10.655 7.128 -6.268 1.00 24.30 H new ATOM 0 HA HIS A 118 10.952 7.218 -9.167 1.00 71.03 H new ATOM 0 HB2 HIS A 118 8.705 8.076 -7.300 1.00 50.41 H new ATOM 0 HB3 HIS A 118 8.624 8.089 -9.051 1.00 50.41 H new ATOM 0 HD2 HIS A 118 9.100 5.310 -6.249 1.00 32.10 H new ATOM 0 HE1 HIS A 118 7.073 3.641 -9.575 1.00 14.51 H new ATOM 0 HE2 HIS A 118 7.917 3.199 -7.214 1.00 52.54 H new ATOM 1848 N SER A 119 10.721 9.919 -7.257 1.00 52.42 N ATOM 1849 CA SER A 119 10.966 11.359 -7.261 1.00 75.23 C ATOM 1850 C SER A 119 11.362 11.892 -5.885 1.00 11.50 C ATOM 1851 O SER A 119 12.132 12.847 -5.789 1.00 70.32 O ATOM 1852 CB SER A 119 9.721 12.095 -7.759 1.00 4.51 C ATOM 1853 OG SER A 119 9.323 11.615 -9.034 1.00 44.03 O ATOM 0 H SER A 119 10.358 9.548 -6.379 1.00 52.42 H new ATOM 0 HA SER A 119 11.805 11.540 -7.932 1.00 75.23 H new ATOM 0 HB2 SER A 119 8.907 11.963 -7.046 1.00 4.51 H new ATOM 0 HB3 SER A 119 9.925 13.164 -7.816 1.00 4.51 H new ATOM 0 HG SER A 119 8.524 12.099 -9.331 1.00 44.03 H new ATOM 1859 N GLY A 120 10.849 11.282 -4.823 1.00 44.54 N ATOM 1860 CA GLY A 120 11.101 11.798 -3.493 1.00 62.02 C ATOM 1861 C GLY A 120 10.219 12.990 -3.180 1.00 32.13 C ATOM 1862 O GLY A 120 10.707 14.103 -2.972 1.00 73.14 O ATOM 0 H GLY A 120 10.267 10.445 -4.859 1.00 44.54 H new ATOM 0 HA2 GLY A 120 10.926 11.012 -2.758 1.00 62.02 H new ATOM 0 HA3 GLY A 120 12.148 12.087 -3.407 1.00 62.02 H new ATOM 1866 N ASN A 121 8.915 12.762 -3.175 1.00 3.10 N ATOM 1867 CA ASN A 121 7.950 13.808 -2.865 1.00 14.30 C ATOM 1868 C ASN A 121 7.865 13.998 -1.353 1.00 61.23 C ATOM 1869 O ASN A 121 8.267 13.116 -0.595 1.00 32.43 O ATOM 1870 CB ASN A 121 6.577 13.437 -3.439 1.00 43.00 C ATOM 1871 CG ASN A 121 5.550 14.543 -3.289 1.00 52.22 C ATOM 1872 OD1 ASN A 121 4.855 14.625 -2.276 1.00 74.14 O ATOM 1873 ND2 ASN A 121 5.445 15.393 -4.295 1.00 12.35 N ATOM 0 H ASN A 121 8.497 11.855 -3.384 1.00 3.10 H new ATOM 0 HA ASN A 121 8.273 14.745 -3.318 1.00 14.30 H new ATOM 0 HB2 ASN A 121 6.686 13.192 -4.495 1.00 43.00 H new ATOM 0 HB3 ASN A 121 6.211 12.540 -2.939 1.00 43.00 H new ATOM 0 HD21 ASN A 121 4.768 16.154 -4.251 1.00 12.35 H new ATOM 0 HD22 ASN A 121 6.041 15.288 -5.116 1.00 12.35 H new ATOM 1880 N GLU A 122 7.331 15.134 -0.917 1.00 10.14 N ATOM 1881 CA GLU A 122 7.265 15.456 0.505 1.00 54.34 C ATOM 1882 C GLU A 122 6.444 14.437 1.290 1.00 71.20 C ATOM 1883 O GLU A 122 6.716 14.190 2.466 1.00 55.24 O ATOM 1884 CB GLU A 122 6.692 16.855 0.709 1.00 40.20 C ATOM 1885 CG GLU A 122 7.501 17.940 0.029 1.00 11.11 C ATOM 1886 CD GLU A 122 7.212 19.308 0.595 1.00 0.01 C ATOM 1887 OE1 GLU A 122 7.871 19.687 1.586 1.00 4.33 O ATOM 1888 OE2 GLU A 122 6.319 20.003 0.069 1.00 70.35 O ATOM 0 H GLU A 122 6.937 15.849 -1.529 1.00 10.14 H new ATOM 0 HA GLU A 122 8.285 15.422 0.888 1.00 54.34 H new ATOM 0 HB2 GLU A 122 5.671 16.881 0.328 1.00 40.20 H new ATOM 0 HB3 GLU A 122 6.640 17.066 1.777 1.00 40.20 H new ATOM 0 HG2 GLU A 122 8.563 17.721 0.138 1.00 11.11 H new ATOM 0 HG3 GLU A 122 7.283 17.937 -1.039 1.00 11.11 H new ATOM 1895 N PHE A 123 5.443 13.854 0.649 1.00 33.30 N ATOM 1896 CA PHE A 123 4.647 12.811 1.289 1.00 63.40 C ATOM 1897 C PHE A 123 5.444 11.514 1.339 1.00 65.51 C ATOM 1898 O PHE A 123 5.331 10.724 2.278 1.00 40.52 O ATOM 1899 CB PHE A 123 3.334 12.578 0.535 1.00 43.32 C ATOM 1900 CG PHE A 123 2.448 13.785 0.455 1.00 42.33 C ATOM 1901 CD1 PHE A 123 1.944 14.365 1.606 1.00 33.34 C ATOM 1902 CD2 PHE A 123 2.107 14.329 -0.773 1.00 64.02 C ATOM 1903 CE1 PHE A 123 1.117 15.467 1.536 1.00 13.05 C ATOM 1904 CE2 PHE A 123 1.282 15.433 -0.849 1.00 60.22 C ATOM 1905 CZ PHE A 123 0.784 16.003 0.306 1.00 13.15 C ATOM 0 H PHE A 123 5.162 14.080 -0.305 1.00 33.30 H new ATOM 0 HA PHE A 123 4.409 13.137 2.301 1.00 63.40 H new ATOM 0 HB2 PHE A 123 3.564 12.242 -0.476 1.00 43.32 H new ATOM 0 HB3 PHE A 123 2.787 11.771 1.022 1.00 43.32 H new ATOM 0 HD1 PHE A 123 2.201 13.950 2.570 1.00 33.34 H new ATOM 0 HD2 PHE A 123 2.491 13.885 -1.680 1.00 64.02 H new ATOM 0 HE1 PHE A 123 0.730 15.911 2.441 1.00 13.05 H new ATOM 0 HE2 PHE A 123 1.026 15.851 -1.811 1.00 60.22 H new ATOM 0 HZ PHE A 123 0.136 16.865 0.249 1.00 13.15 H new ATOM 1915 N ASN A 124 6.273 11.330 0.326 1.00 45.24 N ATOM 1916 CA ASN A 124 7.061 10.114 0.168 1.00 44.05 C ATOM 1917 C ASN A 124 8.177 10.061 1.204 1.00 22.11 C ATOM 1918 O ASN A 124 8.375 9.041 1.865 1.00 13.13 O ATOM 1919 CB ASN A 124 7.650 10.052 -1.246 1.00 31.40 C ATOM 1920 CG ASN A 124 6.590 10.037 -2.339 1.00 11.34 C ATOM 1921 OD1 ASN A 124 5.481 10.534 -2.163 1.00 72.31 O ATOM 1922 ND2 ASN A 124 6.937 9.491 -3.491 1.00 34.33 N ATOM 0 H ASN A 124 6.421 12.018 -0.412 1.00 45.24 H new ATOM 0 HA ASN A 124 6.408 9.254 0.320 1.00 44.05 H new ATOM 0 HB2 ASN A 124 8.306 10.909 -1.397 1.00 31.40 H new ATOM 0 HB3 ASN A 124 8.268 9.158 -1.336 1.00 31.40 H new ATOM 0 HD21 ASN A 124 6.275 9.474 -4.267 1.00 34.33 H new ATOM 0 HD22 ASN A 124 7.867 9.087 -3.604 1.00 34.33 H new ATOM 1929 N ASP A 125 8.895 11.169 1.349 1.00 42.25 N ATOM 1930 CA ASP A 125 9.964 11.264 2.339 1.00 13.41 C ATOM 1931 C ASP A 125 9.412 11.104 3.746 1.00 14.44 C ATOM 1932 O ASP A 125 10.069 10.546 4.620 1.00 53.33 O ATOM 1933 CB ASP A 125 10.694 12.607 2.238 1.00 32.44 C ATOM 1934 CG ASP A 125 11.590 12.716 1.023 1.00 64.40 C ATOM 1935 OD1 ASP A 125 12.716 12.172 1.056 1.00 5.24 O ATOM 1936 OD2 ASP A 125 11.189 13.367 0.040 1.00 21.21 O ATOM 0 H ASP A 125 8.757 12.014 0.795 1.00 42.25 H new ATOM 0 HA ASP A 125 10.669 10.459 2.132 1.00 13.41 H new ATOM 0 HB2 ASP A 125 9.958 13.411 2.210 1.00 32.44 H new ATOM 0 HB3 ASP A 125 11.293 12.754 3.136 1.00 32.44 H new ATOM 1941 N TYR A 126 8.193 11.589 3.955 1.00 24.31 N ATOM 1942 CA TYR A 126 7.573 11.582 5.276 1.00 3.32 C ATOM 1943 C TYR A 126 7.408 10.155 5.800 1.00 53.30 C ATOM 1944 O TYR A 126 7.713 9.871 6.961 1.00 4.34 O ATOM 1945 CB TYR A 126 6.213 12.284 5.223 1.00 41.54 C ATOM 1946 CG TYR A 126 5.662 12.657 6.583 1.00 1.13 C ATOM 1947 CD1 TYR A 126 6.122 13.787 7.248 1.00 54.21 C ATOM 1948 CD2 TYR A 126 4.681 11.889 7.200 1.00 71.03 C ATOM 1949 CE1 TYR A 126 5.622 14.142 8.486 1.00 53.42 C ATOM 1950 CE2 TYR A 126 4.176 12.238 8.441 1.00 50.54 C ATOM 1951 CZ TYR A 126 4.652 13.365 9.078 1.00 75.50 C ATOM 1952 OH TYR A 126 4.150 13.720 10.310 1.00 1.04 O ATOM 0 H TYR A 126 7.611 11.994 3.222 1.00 24.31 H new ATOM 0 HA TYR A 126 8.228 12.121 5.961 1.00 3.32 H new ATOM 0 HB2 TYR A 126 6.304 13.187 4.619 1.00 41.54 H new ATOM 0 HB3 TYR A 126 5.499 11.633 4.718 1.00 41.54 H new ATOM 0 HD1 TYR A 126 6.884 14.399 6.789 1.00 54.21 H new ATOM 0 HD2 TYR A 126 4.307 11.006 6.703 1.00 71.03 H new ATOM 0 HE1 TYR A 126 5.990 15.025 8.987 1.00 53.42 H new ATOM 0 HE2 TYR A 126 3.414 11.631 8.907 1.00 50.54 H new ATOM 0 HH TYR A 126 3.473 13.068 10.587 1.00 1.04 H new ATOM 1962 N VAL A 127 6.941 9.257 4.940 1.00 21.24 N ATOM 1963 CA VAL A 127 6.700 7.878 5.344 1.00 0.41 C ATOM 1964 C VAL A 127 8.016 7.090 5.427 1.00 44.50 C ATOM 1965 O VAL A 127 8.196 6.261 6.319 1.00 30.43 O ATOM 1966 CB VAL A 127 5.695 7.166 4.399 1.00 11.43 C ATOM 1967 CG1 VAL A 127 6.235 7.061 2.981 1.00 72.24 C ATOM 1968 CG2 VAL A 127 5.327 5.795 4.942 1.00 52.23 C ATOM 0 H VAL A 127 6.723 9.458 3.964 1.00 21.24 H new ATOM 0 HA VAL A 127 6.253 7.908 6.337 1.00 0.41 H new ATOM 0 HB VAL A 127 4.792 7.775 4.359 1.00 11.43 H new ATOM 0 HG11 VAL A 127 5.503 6.557 2.349 1.00 72.24 H new ATOM 0 HG12 VAL A 127 6.425 8.060 2.589 1.00 72.24 H new ATOM 0 HG13 VAL A 127 7.164 6.490 2.987 1.00 72.24 H new ATOM 0 HG21 VAL A 127 4.622 5.313 4.265 1.00 52.23 H new ATOM 0 HG22 VAL A 127 6.226 5.184 5.026 1.00 52.23 H new ATOM 0 HG23 VAL A 127 4.869 5.904 5.925 1.00 52.23 H new ATOM 1978 N ASP A 128 8.948 7.378 4.523 1.00 12.23 N ATOM 1979 CA ASP A 128 10.235 6.682 4.512 1.00 23.05 C ATOM 1980 C ASP A 128 11.105 7.124 5.687 1.00 42.31 C ATOM 1981 O ASP A 128 11.871 6.334 6.241 1.00 52.01 O ATOM 1982 CB ASP A 128 10.965 6.928 3.191 1.00 54.30 C ATOM 1983 CG ASP A 128 12.305 6.214 3.109 1.00 44.15 C ATOM 1984 OD1 ASP A 128 12.328 4.982 2.891 1.00 63.25 O ATOM 1985 OD2 ASP A 128 13.349 6.885 3.235 1.00 51.21 O ATOM 0 H ASP A 128 8.840 8.082 3.793 1.00 12.23 H new ATOM 0 HA ASP A 128 10.042 5.614 4.612 1.00 23.05 H new ATOM 0 HB2 ASP A 128 10.333 6.598 2.366 1.00 54.30 H new ATOM 0 HB3 ASP A 128 11.122 7.999 3.063 1.00 54.30 H new ATOM 1990 N MET A 129 10.970 8.389 6.073 1.00 1.21 N ATOM 1991 CA MET A 129 11.679 8.921 7.233 1.00 73.21 C ATOM 1992 C MET A 129 11.260 8.173 8.495 1.00 54.01 C ATOM 1993 O MET A 129 12.075 7.918 9.386 1.00 42.24 O ATOM 1994 CB MET A 129 11.391 10.418 7.383 1.00 5.31 C ATOM 1995 CG MET A 129 12.109 11.074 8.550 1.00 24.25 C ATOM 1996 SD MET A 129 11.789 12.847 8.655 1.00 62.31 S ATOM 1997 CE MET A 129 10.006 12.861 8.832 1.00 71.41 C ATOM 0 H MET A 129 10.374 9.067 5.598 1.00 1.21 H new ATOM 0 HA MET A 129 12.750 8.783 7.086 1.00 73.21 H new ATOM 0 HB2 MET A 129 11.677 10.926 6.462 1.00 5.31 H new ATOM 0 HB3 MET A 129 10.317 10.560 7.505 1.00 5.31 H new ATOM 0 HG2 MET A 129 11.796 10.597 9.479 1.00 24.25 H new ATOM 0 HG3 MET A 129 13.182 10.908 8.452 1.00 24.25 H new ATOM 0 HE1 MET A 129 9.713 13.670 9.502 1.00 71.41 H new ATOM 0 HE2 MET A 129 9.545 13.013 7.856 1.00 71.41 H new ATOM 0 HE3 MET A 129 9.674 11.909 9.246 1.00 71.41 H new ATOM 2007 N LYS A 130 9.984 7.811 8.554 1.00 71.43 N ATOM 2008 CA LYS A 130 9.466 7.026 9.665 1.00 64.01 C ATOM 2009 C LYS A 130 10.048 5.616 9.593 1.00 45.54 C ATOM 2010 O LYS A 130 10.468 5.058 10.607 1.00 22.43 O ATOM 2011 CB LYS A 130 7.925 6.990 9.624 1.00 34.24 C ATOM 2012 CG LYS A 130 7.256 6.680 10.965 1.00 3.22 C ATOM 2013 CD LYS A 130 7.465 5.234 11.391 1.00 22.02 C ATOM 2014 CE LYS A 130 6.895 4.955 12.773 1.00 13.42 C ATOM 2015 NZ LYS A 130 5.410 5.050 12.809 1.00 15.35 N ATOM 0 H LYS A 130 9.290 8.049 7.845 1.00 71.43 H new ATOM 0 HA LYS A 130 9.762 7.485 10.608 1.00 64.01 H new ATOM 0 HB2 LYS A 130 7.562 7.954 9.267 1.00 34.24 H new ATOM 0 HB3 LYS A 130 7.612 6.242 8.896 1.00 34.24 H new ATOM 0 HG2 LYS A 130 7.656 7.344 11.731 1.00 3.22 H new ATOM 0 HG3 LYS A 130 6.188 6.885 10.892 1.00 3.22 H new ATOM 0 HD2 LYS A 130 6.994 4.571 10.665 1.00 22.02 H new ATOM 0 HD3 LYS A 130 8.531 5.006 11.386 1.00 22.02 H new ATOM 0 HE2 LYS A 130 7.200 3.959 13.093 1.00 13.42 H new ATOM 0 HE3 LYS A 130 7.318 5.662 13.486 1.00 13.42 H new ATOM 0 HZ1 LYS A 130 5.072 4.835 13.769 1.00 15.35 H new ATOM 0 HZ2 LYS A 130 5.117 6.013 12.546 1.00 15.35 H new ATOM 0 HZ3 LYS A 130 5.002 4.369 12.137 1.00 15.35 H new ATOM 2029 N ALA A 131 10.100 5.067 8.382 1.00 3.54 N ATOM 2030 CA ALA A 131 10.652 3.733 8.161 1.00 23.24 C ATOM 2031 C ALA A 131 12.101 3.655 8.627 1.00 32.12 C ATOM 2032 O ALA A 131 12.469 2.746 9.367 1.00 25.55 O ATOM 2033 CB ALA A 131 10.546 3.355 6.693 1.00 44.13 C ATOM 0 H ALA A 131 9.765 5.527 7.536 1.00 3.54 H new ATOM 0 HA ALA A 131 10.070 3.024 8.750 1.00 23.24 H new ATOM 0 HB1 ALA A 131 10.961 2.358 6.543 1.00 44.13 H new ATOM 0 HB2 ALA A 131 9.499 3.361 6.390 1.00 44.13 H new ATOM 0 HB3 ALA A 131 11.102 4.074 6.091 1.00 44.13 H new ATOM 2039 N LYS A 132 12.916 4.616 8.196 1.00 34.01 N ATOM 2040 CA LYS A 132 14.314 4.691 8.623 1.00 32.35 C ATOM 2041 C LYS A 132 14.422 4.689 10.143 1.00 12.04 C ATOM 2042 O LYS A 132 15.210 3.938 10.718 1.00 73.41 O ATOM 2043 CB LYS A 132 14.989 5.952 8.065 1.00 45.51 C ATOM 2044 CG LYS A 132 15.844 5.715 6.826 1.00 44.35 C ATOM 2045 CD LYS A 132 15.027 5.238 5.641 1.00 53.53 C ATOM 2046 CE LYS A 132 15.890 5.133 4.391 1.00 33.32 C ATOM 2047 NZ LYS A 132 15.092 4.784 3.188 1.00 51.14 N ATOM 0 H LYS A 132 12.633 5.354 7.551 1.00 34.01 H new ATOM 0 HA LYS A 132 14.823 3.811 8.231 1.00 32.35 H new ATOM 0 HB2 LYS A 132 14.219 6.685 7.825 1.00 45.51 H new ATOM 0 HB3 LYS A 132 15.614 6.389 8.844 1.00 45.51 H new ATOM 0 HG2 LYS A 132 16.358 6.639 6.561 1.00 44.35 H new ATOM 0 HG3 LYS A 132 16.613 4.977 7.054 1.00 44.35 H new ATOM 0 HD2 LYS A 132 14.586 4.267 5.866 1.00 53.53 H new ATOM 0 HD3 LYS A 132 14.203 5.928 5.461 1.00 53.53 H new ATOM 0 HE2 LYS A 132 16.401 6.081 4.224 1.00 33.32 H new ATOM 0 HE3 LYS A 132 16.661 4.378 4.546 1.00 33.32 H new ATOM 0 HZ1 LYS A 132 15.641 5.001 2.332 1.00 51.14 H new ATOM 0 HZ2 LYS A 132 14.864 3.770 3.205 1.00 51.14 H new ATOM 0 HZ3 LYS A 132 14.211 5.337 3.183 1.00 51.14 H new ATOM 2061 N SER A 133 13.612 5.519 10.783 1.00 10.25 N ATOM 2062 CA SER A 133 13.620 5.633 12.233 1.00 62.21 C ATOM 2063 C SER A 133 13.226 4.307 12.892 1.00 1.42 C ATOM 2064 O SER A 133 13.811 3.906 13.899 1.00 70.43 O ATOM 2065 CB SER A 133 12.669 6.748 12.669 1.00 11.14 C ATOM 2066 OG SER A 133 12.994 7.973 12.029 1.00 45.21 O ATOM 0 H SER A 133 12.938 6.126 10.318 1.00 10.25 H new ATOM 0 HA SER A 133 14.632 5.878 12.555 1.00 62.21 H new ATOM 0 HB2 SER A 133 11.643 6.470 12.430 1.00 11.14 H new ATOM 0 HB3 SER A 133 12.721 6.873 13.750 1.00 11.14 H new ATOM 0 HG SER A 133 12.660 7.960 11.108 1.00 45.21 H new ATOM 2072 N ALA A 134 12.252 3.621 12.302 1.00 34.11 N ATOM 2073 CA ALA A 134 11.779 2.343 12.829 1.00 5.41 C ATOM 2074 C ALA A 134 12.808 1.237 12.601 1.00 0.34 C ATOM 2075 O ALA A 134 12.778 0.200 13.265 1.00 23.01 O ATOM 2076 CB ALA A 134 10.448 1.970 12.188 1.00 54.21 C ATOM 0 H ALA A 134 11.773 3.929 11.456 1.00 34.11 H new ATOM 0 HA ALA A 134 11.636 2.452 13.904 1.00 5.41 H new ATOM 0 HB1 ALA A 134 10.106 1.016 12.589 1.00 54.21 H new ATOM 0 HB2 ALA A 134 9.710 2.741 12.407 1.00 54.21 H new ATOM 0 HB3 ALA A 134 10.575 1.886 11.109 1.00 54.21 H new ATOM 2082 N LEU A 135 13.726 1.469 11.672 1.00 20.22 N ATOM 2083 CA LEU A 135 14.764 0.497 11.358 1.00 60.03 C ATOM 2084 C LEU A 135 16.008 0.759 12.194 1.00 2.52 C ATOM 2085 O LEU A 135 16.953 -0.029 12.181 1.00 0.10 O ATOM 2086 CB LEU A 135 15.122 0.548 9.870 1.00 41.14 C ATOM 2087 CG LEU A 135 13.990 0.185 8.911 1.00 42.31 C ATOM 2088 CD1 LEU A 135 14.437 0.355 7.465 1.00 70.14 C ATOM 2089 CD2 LEU A 135 13.514 -1.238 9.162 1.00 32.33 C ATOM 0 H LEU A 135 13.772 2.326 11.121 1.00 20.22 H new ATOM 0 HA LEU A 135 14.379 -0.495 11.593 1.00 60.03 H new ATOM 0 HB2 LEU A 135 15.469 1.553 9.631 1.00 41.14 H new ATOM 0 HB3 LEU A 135 15.958 -0.129 9.691 1.00 41.14 H new ATOM 0 HG LEU A 135 13.156 0.863 9.092 1.00 42.31 H new ATOM 0 HD11 LEU A 135 13.617 0.092 6.797 1.00 70.14 H new ATOM 0 HD12 LEU A 135 14.726 1.392 7.293 1.00 70.14 H new ATOM 0 HD13 LEU A 135 15.288 -0.297 7.268 1.00 70.14 H new ATOM 0 HD21 LEU A 135 12.707 -1.479 8.470 1.00 32.33 H new ATOM 0 HD22 LEU A 135 14.342 -1.931 9.010 1.00 32.33 H new ATOM 0 HD23 LEU A 135 13.151 -1.325 10.186 1.00 32.33 H new ATOM 2101 N GLY A 136 16.005 1.872 12.918 1.00 25.44 N ATOM 2102 CA GLY A 136 17.149 2.223 13.733 1.00 61.54 C ATOM 2103 C GLY A 136 18.188 2.997 12.952 1.00 33.43 C ATOM 2104 O GLY A 136 19.370 2.997 13.299 1.00 0.33 O ATOM 0 H GLY A 136 15.231 2.536 12.954 1.00 25.44 H new ATOM 0 HA2 GLY A 136 16.818 2.818 14.584 1.00 61.54 H new ATOM 0 HA3 GLY A 136 17.600 1.315 14.135 1.00 61.54 H new ATOM 2108 N ILE A 137 17.745 3.643 11.885 1.00 13.53 N ATOM 2109 CA ILE A 137 18.621 4.443 11.050 1.00 72.11 C ATOM 2110 C ILE A 137 18.480 5.916 11.424 1.00 10.30 C ATOM 2111 O ILE A 137 17.399 6.368 11.810 1.00 53.43 O ATOM 2112 CB ILE A 137 18.294 4.245 9.551 1.00 12.31 C ATOM 2113 CG1 ILE A 137 18.331 2.757 9.192 1.00 24.11 C ATOM 2114 CG2 ILE A 137 19.268 5.022 8.673 1.00 62.10 C ATOM 2115 CD1 ILE A 137 17.921 2.463 7.765 1.00 62.40 C ATOM 0 H ILE A 137 16.773 3.627 11.576 1.00 13.53 H new ATOM 0 HA ILE A 137 19.648 4.120 11.218 1.00 72.11 H new ATOM 0 HB ILE A 137 17.290 4.628 9.369 1.00 12.31 H new ATOM 0 HG12 ILE A 137 19.340 2.378 9.356 1.00 24.11 H new ATOM 0 HG13 ILE A 137 17.672 2.213 9.869 1.00 24.11 H new ATOM 0 HG21 ILE A 137 19.016 4.866 7.624 1.00 62.10 H new ATOM 0 HG22 ILE A 137 19.202 6.084 8.908 1.00 62.10 H new ATOM 0 HG23 ILE A 137 20.284 4.672 8.858 1.00 62.10 H new ATOM 0 HD11 ILE A 137 17.972 1.389 7.586 1.00 62.40 H new ATOM 0 HD12 ILE A 137 16.901 2.810 7.601 1.00 62.40 H new ATOM 0 HD13 ILE A 137 18.594 2.978 7.080 1.00 62.40 H new