USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 827 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 20 HIS : no HE2:sc= -9.91! C(o=-8.7!,f=-11!) USER MOD Set 1.2: A 83 TYR OH : rot -1:sc= 1.21 USER MOD Set 2.1: A 58 ASN : amide:sc= 0.00326 X(o=0.0067,f=-0.13) USER MOD Set 2.2: A 69 LYS NZ :NH3+ -145:sc= 0.00344 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 35:sc= 1.01 USER MOD Single : A 3 SER OG : rot 45:sc= 0.472 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.685 X(o=-0.68,f=-1.1) USER MOD Single : A 14 TYR OH : rot 130:sc= -0.401 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -141:sc= 0.14 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=-2.56e-06) USER MOD Single : A 37 GLN : amide:sc= -3.63 K(o=-3.6,f=-2.9!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc=-0.00121 X(o=-0.0012,f=-0.17) USER MOD Single : A 43 GLN : amide:sc= -0.0138 K(o=-0.014,f=-1.4) USER MOD Single : A 44 LYS NZ :NH3+ -109:sc= -1.49 (180deg=-4.06!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc=-0.000805 X(o=-0.00081,f=-0.043) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.0415 X(o=-0.041,f=-0.44) USER MOD Single : A 55 GLN : amide:sc= -0.0268 K(o=-0.027,f=-2.4!) USER MOD Single : A 60 ASN : amide:sc= -0.131 K(o=-0.13,f=-1.2!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= -1.97! USER MOD Single : A 67 THR OG1 : rot 18:sc= 0.479 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -129:sc= -0.447 (180deg=-2.12!) USER MOD Single : A 77 GLN : amide:sc= -0.0822 K(o=-0.082,f=-1.8!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.447 13.454 11.143 1.00 0.00 N ATOM 2 CA GLY A 1 -2.098 13.691 11.622 1.00 0.00 C ATOM 3 C GLY A 1 -1.920 15.086 12.187 1.00 0.00 C ATOM 4 O GLY A 1 -2.554 15.448 13.178 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.517 12.487 10.767 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.119 13.570 11.928 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.673 14.135 10.390 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.855 12.957 12.390 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.394 13.541 10.804 1.00 0.00 H new ATOM 8 N SER A 2 -1.053 15.872 11.556 1.00 0.00 N ATOM 9 CA SER A 2 -0.789 17.234 12.005 1.00 0.00 C ATOM 10 C SER A 2 -0.098 18.042 10.910 1.00 0.00 C ATOM 11 O SER A 2 0.706 17.511 10.145 1.00 0.00 O ATOM 12 CB SER A 2 0.077 17.219 13.266 1.00 0.00 C ATOM 13 OG SER A 2 -0.721 17.092 14.430 1.00 0.00 O ATOM 0 H SER A 2 -0.522 15.589 10.733 1.00 0.00 H new ATOM 0 HA SER A 2 -1.744 17.706 12.234 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.785 16.392 13.215 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.662 18.137 13.320 1.00 0.00 H new ATOM 0 HG SER A 2 -1.492 16.518 14.237 1.00 0.00 H new ATOM 19 N SER A 3 -0.418 19.331 10.843 1.00 0.00 N ATOM 20 CA SER A 3 0.168 20.213 9.841 1.00 0.00 C ATOM 21 C SER A 3 1.523 20.737 10.304 1.00 0.00 C ATOM 22 O SER A 3 1.601 21.672 11.100 1.00 0.00 O ATOM 23 CB SER A 3 -0.772 21.384 9.550 1.00 0.00 C ATOM 24 OG SER A 3 -1.141 22.052 10.745 1.00 0.00 O ATOM 0 H SER A 3 -1.080 19.787 11.471 1.00 0.00 H new ATOM 0 HA SER A 3 0.314 19.637 8.927 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.285 22.086 8.873 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.665 21.020 9.043 1.00 0.00 H new ATOM 0 HG SER A 3 -0.347 22.185 11.304 1.00 0.00 H new ATOM 30 N GLY A 4 2.591 20.126 9.800 1.00 0.00 N ATOM 31 CA GLY A 4 3.930 20.543 10.173 1.00 0.00 C ATOM 32 C GLY A 4 5.003 19.836 9.369 1.00 0.00 C ATOM 33 O GLY A 4 5.290 20.216 8.234 1.00 0.00 O ATOM 0 H GLY A 4 2.553 19.349 9.140 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.024 21.620 10.031 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.086 20.346 11.234 1.00 0.00 H new ATOM 37 N SER A 5 5.599 18.805 9.959 1.00 0.00 N ATOM 38 CA SER A 5 6.651 18.046 9.292 1.00 0.00 C ATOM 39 C SER A 5 6.152 16.660 8.894 1.00 0.00 C ATOM 40 O SER A 5 5.720 15.877 9.740 1.00 0.00 O ATOM 41 CB SER A 5 7.873 17.918 10.204 1.00 0.00 C ATOM 42 OG SER A 5 8.470 19.181 10.438 1.00 0.00 O ATOM 0 H SER A 5 5.372 18.476 10.897 1.00 0.00 H new ATOM 0 HA SER A 5 6.936 18.584 8.388 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.577 17.471 11.153 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.601 17.247 9.749 1.00 0.00 H new ATOM 0 HG SER A 5 9.247 19.072 11.025 1.00 0.00 H new ATOM 48 N SER A 6 6.214 16.366 7.599 1.00 0.00 N ATOM 49 CA SER A 6 5.765 15.077 7.086 1.00 0.00 C ATOM 50 C SER A 6 6.853 14.019 7.247 1.00 0.00 C ATOM 51 O SER A 6 8.024 14.268 6.959 1.00 0.00 O ATOM 52 CB SER A 6 5.371 15.199 5.613 1.00 0.00 C ATOM 53 OG SER A 6 4.901 13.962 5.106 1.00 0.00 O ATOM 0 H SER A 6 6.571 17.003 6.886 1.00 0.00 H new ATOM 0 HA SER A 6 4.894 14.768 7.663 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.597 15.958 5.502 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.230 15.532 5.030 1.00 0.00 H new ATOM 0 HG SER A 6 4.654 14.067 4.163 1.00 0.00 H new ATOM 59 N GLY A 7 6.458 12.837 7.708 1.00 0.00 N ATOM 60 CA GLY A 7 7.410 11.759 7.900 1.00 0.00 C ATOM 61 C GLY A 7 7.851 11.135 6.590 1.00 0.00 C ATOM 62 O GLY A 7 7.582 11.673 5.516 1.00 0.00 O ATOM 0 H GLY A 7 5.495 12.606 7.952 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.283 12.140 8.430 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.963 10.992 8.532 1.00 0.00 H new ATOM 66 N THR A 8 8.532 9.997 6.678 1.00 0.00 N ATOM 67 CA THR A 8 9.013 9.301 5.492 1.00 0.00 C ATOM 68 C THR A 8 8.291 7.972 5.303 1.00 0.00 C ATOM 69 O THR A 8 7.454 7.588 6.120 1.00 0.00 O ATOM 70 CB THR A 8 10.530 9.041 5.570 1.00 0.00 C ATOM 71 OG1 THR A 8 11.169 10.091 6.304 1.00 0.00 O ATOM 72 CG2 THR A 8 11.135 8.949 4.177 1.00 0.00 C ATOM 0 H THR A 8 8.763 9.538 7.559 1.00 0.00 H new ATOM 0 HA THR A 8 8.805 9.948 4.640 1.00 0.00 H new ATOM 0 HB THR A 8 10.688 8.092 6.082 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.132 9.918 6.351 1.00 0.00 H new ATOM 0 HG21 THR A 8 12.206 8.765 4.257 1.00 0.00 H new ATOM 0 HG22 THR A 8 10.666 8.131 3.630 1.00 0.00 H new ATOM 0 HG23 THR A 8 10.966 9.885 3.644 1.00 0.00 H new ATOM 80 N ILE A 9 8.621 7.273 4.222 1.00 0.00 N ATOM 81 CA ILE A 9 8.004 5.985 3.928 1.00 0.00 C ATOM 82 C ILE A 9 8.326 4.961 5.011 1.00 0.00 C ATOM 83 O ILE A 9 7.433 4.298 5.538 1.00 0.00 O ATOM 84 CB ILE A 9 8.467 5.438 2.565 1.00 0.00 C ATOM 85 CG1 ILE A 9 8.229 6.476 1.466 1.00 0.00 C ATOM 86 CG2 ILE A 9 7.740 4.141 2.241 1.00 0.00 C ATOM 87 CD1 ILE A 9 6.769 6.806 1.252 1.00 0.00 C ATOM 0 H ILE A 9 9.312 7.577 3.536 1.00 0.00 H new ATOM 0 HA ILE A 9 6.927 6.150 3.897 1.00 0.00 H new ATOM 0 HB ILE A 9 9.536 5.231 2.618 1.00 0.00 H new ATOM 0 HG12 ILE A 9 8.766 7.390 1.718 1.00 0.00 H new ATOM 0 HG13 ILE A 9 8.650 6.106 0.531 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.078 3.766 1.275 1.00 0.00 H new ATOM 0 HG22 ILE A 9 7.955 3.401 3.012 1.00 0.00 H new ATOM 0 HG23 ILE A 9 6.666 4.325 2.204 1.00 0.00 H new ATOM 0 HD11 ILE A 9 6.676 7.548 0.459 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.229 5.902 0.968 1.00 0.00 H new ATOM 0 HD13 ILE A 9 6.347 7.206 2.174 1.00 0.00 H new ATOM 99 N SER A 10 9.609 4.839 5.339 1.00 0.00 N ATOM 100 CA SER A 10 10.050 3.894 6.358 1.00 0.00 C ATOM 101 C SER A 10 9.396 4.200 7.702 1.00 0.00 C ATOM 102 O SER A 10 9.057 3.292 8.460 1.00 0.00 O ATOM 103 CB SER A 10 11.573 3.936 6.497 1.00 0.00 C ATOM 104 OG SER A 10 12.205 3.361 5.367 1.00 0.00 O ATOM 0 H SER A 10 10.360 5.382 4.914 1.00 0.00 H new ATOM 0 HA SER A 10 9.748 2.894 6.047 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.902 4.968 6.615 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.874 3.400 7.397 1.00 0.00 H new ATOM 0 HG SER A 10 13.178 3.402 5.480 1.00 0.00 H new ATOM 110 N GLN A 11 9.223 5.486 7.990 1.00 0.00 N ATOM 111 CA GLN A 11 8.611 5.913 9.243 1.00 0.00 C ATOM 112 C GLN A 11 7.131 5.548 9.277 1.00 0.00 C ATOM 113 O GLN A 11 6.583 5.235 10.334 1.00 0.00 O ATOM 114 CB GLN A 11 8.781 7.421 9.430 1.00 0.00 C ATOM 115 CG GLN A 11 10.198 7.833 9.798 1.00 0.00 C ATOM 116 CD GLN A 11 10.864 6.851 10.741 1.00 0.00 C ATOM 117 OE1 GLN A 11 11.413 5.835 10.313 1.00 0.00 O ATOM 118 NE2 GLN A 11 10.821 7.150 12.034 1.00 0.00 N ATOM 0 H GLN A 11 9.498 6.250 7.373 1.00 0.00 H new ATOM 0 HA GLN A 11 9.114 5.394 10.059 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.492 7.928 8.509 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.099 7.761 10.209 1.00 0.00 H new ATOM 0 HG2 GLN A 11 10.794 7.921 8.890 1.00 0.00 H new ATOM 0 HG3 GLN A 11 10.177 8.819 10.262 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.355 8.003 12.345 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.254 6.527 12.716 1.00 0.00 H new ATOM 127 N ARG A 12 6.489 5.590 8.114 1.00 0.00 N ATOM 128 CA ARG A 12 5.071 5.265 8.011 1.00 0.00 C ATOM 129 C ARG A 12 4.834 3.779 8.264 1.00 0.00 C ATOM 130 O ARG A 12 5.718 2.943 8.074 1.00 0.00 O ATOM 131 CB ARG A 12 4.536 5.650 6.631 1.00 0.00 C ATOM 132 CG ARG A 12 4.416 7.151 6.421 1.00 0.00 C ATOM 133 CD ARG A 12 3.081 7.678 6.924 1.00 0.00 C ATOM 134 NE ARG A 12 3.082 7.882 8.370 1.00 0.00 N ATOM 135 CZ ARG A 12 3.615 8.946 8.961 1.00 0.00 C ATOM 136 NH1 ARG A 12 4.185 9.897 8.234 1.00 0.00 N ATOM 137 NH2 ARG A 12 3.577 9.061 10.283 1.00 0.00 N ATOM 0 H ARG A 12 6.928 5.846 7.230 1.00 0.00 H new ATOM 0 HA ARG A 12 4.538 5.835 8.772 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.194 5.236 5.867 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.557 5.192 6.490 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.228 7.659 6.941 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.523 7.381 5.361 1.00 0.00 H new ATOM 0 HD2 ARG A 12 2.852 8.620 6.425 1.00 0.00 H new ATOM 0 HD3 ARG A 12 2.291 6.976 6.658 1.00 0.00 H new ATOM 0 HE ARG A 12 2.650 7.169 8.958 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.215 9.813 7.218 1.00 0.00 H new ATOM 0 HH12 ARG A 12 4.593 10.713 8.691 1.00 0.00 H new ATOM 0 HH21 ARG A 12 3.138 8.332 10.846 1.00 0.00 H new ATOM 0 HH22 ARG A 12 3.986 9.878 10.736 1.00 0.00 H new ATOM 151 N PRO A 13 3.613 3.441 8.703 1.00 0.00 N ATOM 152 CA PRO A 13 3.231 2.055 8.991 1.00 0.00 C ATOM 153 C PRO A 13 3.118 1.210 7.726 1.00 0.00 C ATOM 154 O PRO A 13 2.774 1.717 6.658 1.00 0.00 O ATOM 155 CB PRO A 13 1.863 2.196 9.663 1.00 0.00 C ATOM 156 CG PRO A 13 1.321 3.486 9.152 1.00 0.00 C ATOM 157 CD PRO A 13 2.510 4.385 8.951 1.00 0.00 C ATOM 0 HA PRO A 13 3.973 1.547 9.607 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.209 1.363 9.407 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.955 2.208 10.749 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.781 3.339 8.217 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.618 3.922 9.861 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.364 5.062 8.110 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.700 5.003 9.829 1.00 0.00 H new ATOM 165 N TYR A 14 3.409 -0.080 7.854 1.00 0.00 N ATOM 166 CA TYR A 14 3.342 -0.995 6.721 1.00 0.00 C ATOM 167 C TYR A 14 2.027 -0.830 5.965 1.00 0.00 C ATOM 168 O TYR A 14 2.009 -0.384 4.818 1.00 0.00 O ATOM 169 CB TYR A 14 3.492 -2.441 7.197 1.00 0.00 C ATOM 170 CG TYR A 14 3.899 -3.399 6.101 1.00 0.00 C ATOM 171 CD1 TYR A 14 4.971 -3.114 5.264 1.00 0.00 C ATOM 172 CD2 TYR A 14 3.212 -4.590 5.901 1.00 0.00 C ATOM 173 CE1 TYR A 14 5.346 -3.986 4.260 1.00 0.00 C ATOM 174 CE2 TYR A 14 3.581 -5.469 4.901 1.00 0.00 C ATOM 175 CZ TYR A 14 4.648 -5.163 4.084 1.00 0.00 C ATOM 176 OH TYR A 14 5.018 -6.035 3.086 1.00 0.00 O ATOM 0 H TYR A 14 3.694 -0.515 8.731 1.00 0.00 H new ATOM 0 HA TYR A 14 4.162 -0.756 6.044 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.235 -2.477 7.994 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.547 -2.773 7.626 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.521 -2.195 5.401 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.375 -4.833 6.538 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.180 -3.748 3.617 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.036 -6.391 4.760 1.00 0.00 H new ATOM 0 HH TYR A 14 5.108 -6.938 3.457 1.00 0.00 H new ATOM 186 N ARG A 15 0.927 -1.193 6.618 1.00 0.00 N ATOM 187 CA ARG A 15 -0.393 -1.087 6.009 1.00 0.00 C ATOM 188 C ARG A 15 -0.466 0.119 5.075 1.00 0.00 C ATOM 189 O ARG A 15 -0.851 -0.006 3.913 1.00 0.00 O ATOM 190 CB ARG A 15 -1.470 -0.974 7.090 1.00 0.00 C ATOM 191 CG ARG A 15 -2.730 -0.263 6.623 1.00 0.00 C ATOM 192 CD ARG A 15 -3.789 -0.235 7.713 1.00 0.00 C ATOM 193 NE ARG A 15 -3.671 0.949 8.560 1.00 0.00 N ATOM 194 CZ ARG A 15 -4.401 1.147 9.652 1.00 0.00 C ATOM 195 NH1 ARG A 15 -5.296 0.244 10.028 1.00 0.00 N ATOM 196 NH2 ARG A 15 -4.235 2.250 10.371 1.00 0.00 N ATOM 0 H ARG A 15 0.924 -1.563 7.569 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.569 -1.990 5.424 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.734 -1.974 7.434 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -1.058 -0.440 7.947 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.485 0.757 6.326 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.127 -0.765 5.741 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.779 -0.258 7.257 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.700 -1.131 8.328 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.991 1.663 8.299 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.425 -0.605 9.478 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -5.855 0.399 10.867 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.547 2.946 10.085 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -4.796 2.401 11.209 1.00 0.00 H new ATOM 210 N ASP A 16 -0.093 1.284 5.593 1.00 0.00 N ATOM 211 CA ASP A 16 -0.115 2.512 4.806 1.00 0.00 C ATOM 212 C ASP A 16 0.632 2.327 3.489 1.00 0.00 C ATOM 213 O ASP A 16 0.088 2.583 2.415 1.00 0.00 O ATOM 214 CB ASP A 16 0.503 3.663 5.601 1.00 0.00 C ATOM 215 CG ASP A 16 -0.519 4.398 6.446 1.00 0.00 C ATOM 216 OD1 ASP A 16 -1.178 3.745 7.282 1.00 0.00 O ATOM 217 OD2 ASP A 16 -0.658 5.626 6.273 1.00 0.00 O ATOM 0 H ASP A 16 0.228 1.404 6.554 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.154 2.753 4.582 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.291 3.273 6.246 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.973 4.365 4.912 1.00 0.00 H new ATOM 222 N ARG A 17 1.881 1.882 3.581 1.00 0.00 N ATOM 223 CA ARG A 17 2.704 1.666 2.397 1.00 0.00 C ATOM 224 C ARG A 17 2.045 0.664 1.453 1.00 0.00 C ATOM 225 O ARG A 17 2.216 0.736 0.236 1.00 0.00 O ATOM 226 CB ARG A 17 4.093 1.167 2.799 1.00 0.00 C ATOM 227 CG ARG A 17 4.788 2.056 3.816 1.00 0.00 C ATOM 228 CD ARG A 17 5.817 1.280 4.623 1.00 0.00 C ATOM 229 NE ARG A 17 7.043 1.044 3.865 1.00 0.00 N ATOM 230 CZ ARG A 17 8.161 0.569 4.404 1.00 0.00 C ATOM 231 NH1 ARG A 17 8.207 0.280 5.697 1.00 0.00 N ATOM 232 NH2 ARG A 17 9.235 0.381 3.648 1.00 0.00 N ATOM 0 H ARG A 17 2.345 1.664 4.463 1.00 0.00 H new ATOM 0 HA ARG A 17 2.805 2.618 1.876 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.004 0.161 3.209 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.716 1.094 1.907 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.276 2.885 3.303 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.048 2.489 4.489 1.00 0.00 H new ATOM 0 HD2 ARG A 17 6.054 1.831 5.533 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.391 0.325 4.930 1.00 0.00 H new ATOM 0 HE ARG A 17 7.041 1.255 2.867 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.383 0.422 6.281 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.067 -0.084 6.108 1.00 0.00 H new ATOM 0 HH21 ARG A 17 9.203 0.601 2.653 1.00 0.00 H new ATOM 0 HH22 ARG A 17 10.093 0.016 4.062 1.00 0.00 H new ATOM 246 N VAL A 18 1.291 -0.271 2.023 1.00 0.00 N ATOM 247 CA VAL A 18 0.606 -1.287 1.233 1.00 0.00 C ATOM 248 C VAL A 18 -0.585 -0.694 0.489 1.00 0.00 C ATOM 249 O VAL A 18 -0.743 -0.900 -0.715 1.00 0.00 O ATOM 250 CB VAL A 18 0.118 -2.450 2.116 1.00 0.00 C ATOM 251 CG1 VAL A 18 -0.625 -3.481 1.280 1.00 0.00 C ATOM 252 CG2 VAL A 18 1.288 -3.089 2.849 1.00 0.00 C ATOM 0 H VAL A 18 1.139 -0.346 3.029 1.00 0.00 H new ATOM 0 HA VAL A 18 1.329 -1.667 0.511 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.574 -2.053 2.859 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.962 -4.295 1.922 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.487 -3.012 0.806 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.041 -3.876 0.513 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.925 -3.909 3.468 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.006 -3.472 2.124 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.772 -2.344 3.480 1.00 0.00 H new ATOM 262 N ILE A 19 -1.421 0.043 1.213 1.00 0.00 N ATOM 263 CA ILE A 19 -2.597 0.668 0.620 1.00 0.00 C ATOM 264 C ILE A 19 -2.202 1.784 -0.340 1.00 0.00 C ATOM 265 O ILE A 19 -2.870 2.015 -1.349 1.00 0.00 O ATOM 266 CB ILE A 19 -3.533 1.242 1.700 1.00 0.00 C ATOM 267 CG1 ILE A 19 -2.937 2.519 2.296 1.00 0.00 C ATOM 268 CG2 ILE A 19 -3.783 0.209 2.789 1.00 0.00 C ATOM 269 CD1 ILE A 19 -3.874 3.241 3.239 1.00 0.00 C ATOM 0 H ILE A 19 -1.306 0.222 2.211 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.125 -0.111 0.069 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.488 1.491 1.237 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.020 2.268 2.830 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.660 3.193 1.486 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.446 0.630 3.545 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.246 -0.676 2.352 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.836 -0.068 3.252 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.385 4.136 3.623 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.781 3.524 2.705 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.132 2.584 4.070 1.00 0.00 H new ATOM 281 N HIS A 20 -1.111 2.473 -0.021 1.00 0.00 N ATOM 282 CA HIS A 20 -0.625 3.565 -0.858 1.00 0.00 C ATOM 283 C HIS A 20 -0.160 3.044 -2.214 1.00 0.00 C ATOM 284 O HIS A 20 -0.146 3.780 -3.202 1.00 0.00 O ATOM 285 CB HIS A 20 0.521 4.299 -0.160 1.00 0.00 C ATOM 286 CG HIS A 20 0.064 5.415 0.728 1.00 0.00 C ATOM 287 ND1 HIS A 20 0.106 5.346 2.105 1.00 0.00 N ATOM 288 CD2 HIS A 20 -0.443 6.633 0.429 1.00 0.00 C ATOM 289 CE1 HIS A 20 -0.359 6.473 2.614 1.00 0.00 C ATOM 290 NE2 HIS A 20 -0.699 7.271 1.618 1.00 0.00 N ATOM 0 H HIS A 20 -0.547 2.295 0.810 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.448 4.261 -1.019 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.092 3.584 0.433 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.198 4.700 -0.914 1.00 0.00 H new ATOM 0 HD1 HIS A 20 0.443 4.550 2.646 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.615 7.030 -0.561 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.446 6.703 3.666 1.00 0.00 H new ATOM 298 N LEU A 21 0.221 1.772 -2.255 1.00 0.00 N ATOM 299 CA LEU A 21 0.688 1.153 -3.491 1.00 0.00 C ATOM 300 C LEU A 21 -0.475 0.543 -4.267 1.00 0.00 C ATOM 301 O LEU A 21 -0.587 0.722 -5.481 1.00 0.00 O ATOM 302 CB LEU A 21 1.730 0.076 -3.183 1.00 0.00 C ATOM 303 CG LEU A 21 3.093 0.579 -2.705 1.00 0.00 C ATOM 304 CD1 LEU A 21 3.959 -0.583 -2.244 1.00 0.00 C ATOM 305 CD2 LEU A 21 3.790 1.361 -3.809 1.00 0.00 C ATOM 0 H LEU A 21 0.216 1.149 -1.447 1.00 0.00 H new ATOM 0 HA LEU A 21 1.146 1.928 -4.106 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.322 -0.588 -2.421 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.881 -0.523 -4.081 1.00 0.00 H new ATOM 0 HG LEU A 21 2.936 1.247 -1.858 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.925 -0.206 -1.908 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.465 -1.101 -1.422 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.109 -1.276 -3.072 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.758 1.711 -3.451 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.935 0.716 -4.676 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.177 2.216 -4.092 1.00 0.00 H new ATOM 317 N LEU A 22 -1.339 -0.176 -3.560 1.00 0.00 N ATOM 318 CA LEU A 22 -2.496 -0.811 -4.182 1.00 0.00 C ATOM 319 C LEU A 22 -3.444 0.234 -4.762 1.00 0.00 C ATOM 320 O LEU A 22 -4.151 -0.027 -5.735 1.00 0.00 O ATOM 321 CB LEU A 22 -3.236 -1.679 -3.163 1.00 0.00 C ATOM 322 CG LEU A 22 -2.512 -2.946 -2.708 1.00 0.00 C ATOM 323 CD1 LEU A 22 -3.167 -3.517 -1.461 1.00 0.00 C ATOM 324 CD2 LEU A 22 -2.494 -3.980 -3.825 1.00 0.00 C ATOM 0 H LEU A 22 -1.261 -0.334 -2.555 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.139 -1.442 -4.996 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.448 -1.071 -2.284 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.196 -1.967 -3.591 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.482 -2.685 -2.465 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.638 -4.418 -1.152 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.127 -2.780 -0.659 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.207 -3.763 -1.676 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.975 -4.875 -3.484 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.517 -4.236 -4.100 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.977 -3.569 -4.693 1.00 0.00 H new ATOM 336 N ALA A 23 -3.453 1.417 -4.158 1.00 0.00 N ATOM 337 CA ALA A 23 -4.311 2.503 -4.616 1.00 0.00 C ATOM 338 C ALA A 23 -4.154 2.731 -6.116 1.00 0.00 C ATOM 339 O ALA A 23 -5.073 2.470 -6.893 1.00 0.00 O ATOM 340 CB ALA A 23 -4.000 3.781 -3.851 1.00 0.00 C ATOM 0 H ALA A 23 -2.875 1.648 -3.350 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.346 2.221 -4.424 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.648 4.583 -4.204 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -4.170 3.618 -2.787 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.958 4.058 -4.014 1.00 0.00 H new ATOM 346 N LEU A 24 -2.985 3.219 -6.516 1.00 0.00 N ATOM 347 CA LEU A 24 -2.707 3.483 -7.923 1.00 0.00 C ATOM 348 C LEU A 24 -3.244 2.359 -8.804 1.00 0.00 C ATOM 349 O LEU A 24 -3.956 2.605 -9.778 1.00 0.00 O ATOM 350 CB LEU A 24 -1.202 3.646 -8.145 1.00 0.00 C ATOM 351 CG LEU A 24 -0.577 4.927 -7.593 1.00 0.00 C ATOM 352 CD1 LEU A 24 0.879 5.036 -8.016 1.00 0.00 C ATOM 353 CD2 LEU A 24 -1.362 6.146 -8.057 1.00 0.00 C ATOM 0 H LEU A 24 -2.214 3.440 -5.885 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.211 4.409 -8.200 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.694 2.794 -7.693 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.006 3.603 -9.216 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.615 4.887 -6.504 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.307 5.954 -7.614 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.434 4.179 -7.634 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.941 5.053 -9.104 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.903 7.049 -7.655 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.356 6.190 -9.146 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.390 6.073 -7.703 1.00 0.00 H new ATOM 365 N LYS A 25 -2.899 1.125 -8.455 1.00 0.00 N ATOM 366 CA LYS A 25 -3.348 -0.039 -9.211 1.00 0.00 C ATOM 367 C LYS A 25 -3.296 -1.298 -8.352 1.00 0.00 C ATOM 368 O LYS A 25 -2.748 -1.288 -7.251 1.00 0.00 O ATOM 369 CB LYS A 25 -2.485 -0.225 -10.461 1.00 0.00 C ATOM 370 CG LYS A 25 -1.078 -0.713 -10.161 1.00 0.00 C ATOM 371 CD LYS A 25 -0.492 -1.477 -11.336 1.00 0.00 C ATOM 372 CE LYS A 25 0.685 -2.340 -10.908 1.00 0.00 C ATOM 373 NZ LYS A 25 1.039 -3.350 -11.944 1.00 0.00 N ATOM 0 H LYS A 25 -2.309 0.904 -7.653 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.381 0.131 -9.513 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.973 -0.937 -11.127 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.426 0.723 -10.996 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.439 0.138 -9.924 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.094 -1.355 -9.280 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.262 -2.106 -11.783 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.169 -0.774 -12.104 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.548 -1.704 -10.711 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.443 -2.847 -9.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.845 -3.918 -11.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.224 -3.973 -12.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.295 -2.866 -12.828 1.00 0.00 H new ATOM 387 N ALA A 26 -3.870 -2.382 -8.864 1.00 0.00 N ATOM 388 CA ALA A 26 -3.886 -3.650 -8.146 1.00 0.00 C ATOM 389 C ALA A 26 -2.509 -4.305 -8.157 1.00 0.00 C ATOM 390 O ALA A 26 -1.842 -4.352 -9.191 1.00 0.00 O ATOM 391 CB ALA A 26 -4.922 -4.586 -8.750 1.00 0.00 C ATOM 0 H ALA A 26 -4.330 -2.407 -9.774 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.155 -3.448 -7.109 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.923 -5.529 -8.204 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.909 -4.128 -8.684 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.678 -4.773 -9.796 1.00 0.00 H new ATOM 397 N TYR A 27 -2.089 -4.808 -7.002 1.00 0.00 N ATOM 398 CA TYR A 27 -0.789 -5.457 -6.878 1.00 0.00 C ATOM 399 C TYR A 27 -0.933 -6.857 -6.290 1.00 0.00 C ATOM 400 O TYR A 27 -1.817 -7.112 -5.472 1.00 0.00 O ATOM 401 CB TYR A 27 0.143 -4.618 -6.004 1.00 0.00 C ATOM 402 CG TYR A 27 0.955 -3.606 -6.781 1.00 0.00 C ATOM 403 CD1 TYR A 27 0.395 -2.401 -7.187 1.00 0.00 C ATOM 404 CD2 TYR A 27 2.282 -3.856 -7.109 1.00 0.00 C ATOM 405 CE1 TYR A 27 1.133 -1.474 -7.898 1.00 0.00 C ATOM 406 CE2 TYR A 27 3.028 -2.934 -7.818 1.00 0.00 C ATOM 407 CZ TYR A 27 2.449 -1.745 -8.211 1.00 0.00 C ATOM 408 OH TYR A 27 3.187 -0.824 -8.918 1.00 0.00 O ATOM 0 H TYR A 27 -2.630 -4.779 -6.138 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.359 -5.544 -7.876 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.450 -4.096 -5.253 1.00 0.00 H new ATOM 0 HB3 TYR A 27 0.822 -5.282 -5.469 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.635 -2.185 -6.943 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.738 -4.787 -6.805 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.682 -0.543 -8.207 1.00 0.00 H new ATOM 0 HE2 TYR A 27 4.059 -3.143 -8.063 1.00 0.00 H new ATOM 0 HH TYR A 27 4.095 -1.168 -9.055 1.00 0.00 H new ATOM 418 N LYS A 28 -0.056 -7.763 -6.711 1.00 0.00 N ATOM 419 CA LYS A 28 -0.082 -9.137 -6.226 1.00 0.00 C ATOM 420 C LYS A 28 0.778 -9.289 -4.975 1.00 0.00 C ATOM 421 O LYS A 28 1.788 -8.603 -4.817 1.00 0.00 O ATOM 422 CB LYS A 28 0.410 -10.093 -7.315 1.00 0.00 C ATOM 423 CG LYS A 28 -0.441 -10.072 -8.573 1.00 0.00 C ATOM 424 CD LYS A 28 0.385 -10.385 -9.810 1.00 0.00 C ATOM 425 CE LYS A 28 -0.222 -9.762 -11.058 1.00 0.00 C ATOM 426 NZ LYS A 28 0.092 -10.552 -12.281 1.00 0.00 N ATOM 0 H LYS A 28 0.682 -7.569 -7.388 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.112 -9.386 -5.970 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.436 -9.835 -7.576 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.428 -11.107 -6.916 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.248 -10.799 -8.480 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.906 -9.092 -8.683 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.401 -10.014 -9.674 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.455 -11.465 -9.938 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.303 -9.691 -10.939 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.153 -8.745 -11.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.286 -9.905 -13.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.928 -11.145 -12.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.719 -11.158 -12.520 1.00 0.00 H new ATOM 440 N LYS A 29 0.371 -10.192 -4.089 1.00 0.00 N ATOM 441 CA LYS A 29 1.105 -10.436 -2.853 1.00 0.00 C ATOM 442 C LYS A 29 2.606 -10.269 -3.070 1.00 0.00 C ATOM 443 O LYS A 29 3.273 -9.494 -2.384 1.00 0.00 O ATOM 444 CB LYS A 29 0.808 -11.843 -2.330 1.00 0.00 C ATOM 445 CG LYS A 29 1.859 -12.368 -1.367 1.00 0.00 C ATOM 446 CD LYS A 29 1.586 -11.915 0.058 1.00 0.00 C ATOM 447 CE LYS A 29 2.878 -11.725 0.839 1.00 0.00 C ATOM 448 NZ LYS A 29 3.622 -13.004 1.000 1.00 0.00 N ATOM 0 H LYS A 29 -0.464 -10.767 -4.204 1.00 0.00 H new ATOM 0 HA LYS A 29 0.779 -9.704 -2.115 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.161 -11.839 -1.831 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.728 -12.526 -3.175 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.878 -13.457 -1.406 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.844 -12.021 -1.678 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.028 -10.979 0.043 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.960 -12.652 0.562 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.509 -11.000 0.326 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.651 -11.311 1.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.496 -12.832 1.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.030 -13.688 1.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.861 -13.387 0.063 1.00 0.00 H new ATOM 462 N PRO A 30 3.150 -11.011 -4.045 1.00 0.00 N ATOM 463 CA PRO A 30 4.577 -10.961 -4.375 1.00 0.00 C ATOM 464 C PRO A 30 4.976 -9.640 -5.024 1.00 0.00 C ATOM 465 O PRO A 30 5.958 -9.014 -4.624 1.00 0.00 O ATOM 466 CB PRO A 30 4.754 -12.116 -5.364 1.00 0.00 C ATOM 467 CG PRO A 30 3.408 -12.300 -5.976 1.00 0.00 C ATOM 468 CD PRO A 30 2.414 -11.956 -4.902 1.00 0.00 C ATOM 0 HA PRO A 30 5.203 -11.043 -3.486 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.503 -11.879 -6.119 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.086 -13.023 -4.859 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.283 -11.654 -6.845 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.272 -13.326 -6.319 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.514 -11.504 -5.318 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.100 -12.840 -4.347 1.00 0.00 H new ATOM 476 N GLU A 31 4.209 -9.221 -6.025 1.00 0.00 N ATOM 477 CA GLU A 31 4.484 -7.974 -6.728 1.00 0.00 C ATOM 478 C GLU A 31 4.534 -6.800 -5.754 1.00 0.00 C ATOM 479 O GLU A 31 5.573 -6.159 -5.590 1.00 0.00 O ATOM 480 CB GLU A 31 3.418 -7.719 -7.796 1.00 0.00 C ATOM 481 CG GLU A 31 3.833 -6.691 -8.836 1.00 0.00 C ATOM 482 CD GLU A 31 2.883 -6.641 -10.017 1.00 0.00 C ATOM 483 OE1 GLU A 31 1.660 -6.767 -9.800 1.00 0.00 O ATOM 484 OE2 GLU A 31 3.363 -6.475 -11.158 1.00 0.00 O ATOM 0 H GLU A 31 3.392 -9.727 -6.367 1.00 0.00 H new ATOM 0 HA GLU A 31 5.457 -8.066 -7.210 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.186 -8.658 -8.298 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.502 -7.383 -7.310 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.880 -5.707 -8.370 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.837 -6.924 -9.191 1.00 0.00 H new ATOM 491 N LEU A 32 3.405 -6.524 -5.111 1.00 0.00 N ATOM 492 CA LEU A 32 3.318 -5.428 -4.153 1.00 0.00 C ATOM 493 C LEU A 32 4.595 -5.326 -3.324 1.00 0.00 C ATOM 494 O LEU A 32 5.115 -4.233 -3.097 1.00 0.00 O ATOM 495 CB LEU A 32 2.113 -5.623 -3.232 1.00 0.00 C ATOM 496 CG LEU A 32 1.460 -4.346 -2.700 1.00 0.00 C ATOM 497 CD1 LEU A 32 0.417 -4.679 -1.645 1.00 0.00 C ATOM 498 CD2 LEU A 32 2.513 -3.405 -2.134 1.00 0.00 C ATOM 0 H LEU A 32 2.537 -7.044 -5.236 1.00 0.00 H new ATOM 0 HA LEU A 32 3.194 -4.500 -4.711 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.358 -6.196 -3.771 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.426 -6.229 -2.381 1.00 0.00 H new ATOM 0 HG LEU A 32 0.960 -3.844 -3.528 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.037 -3.758 -1.278 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.353 -5.314 -2.083 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.892 -5.204 -0.817 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.031 -2.502 -1.760 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.041 -3.899 -1.318 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.223 -3.139 -2.918 1.00 0.00 H new ATOM 510 N LEU A 33 5.095 -6.472 -2.876 1.00 0.00 N ATOM 511 CA LEU A 33 6.313 -6.514 -2.074 1.00 0.00 C ATOM 512 C LEU A 33 7.482 -5.884 -2.826 1.00 0.00 C ATOM 513 O LEU A 33 8.084 -4.917 -2.359 1.00 0.00 O ATOM 514 CB LEU A 33 6.652 -7.958 -1.700 1.00 0.00 C ATOM 515 CG LEU A 33 6.044 -8.473 -0.395 1.00 0.00 C ATOM 516 CD1 LEU A 33 6.036 -9.994 -0.374 1.00 0.00 C ATOM 517 CD2 LEU A 33 6.808 -7.925 0.802 1.00 0.00 C ATOM 0 H LEU A 33 4.676 -7.385 -3.054 1.00 0.00 H new ATOM 0 HA LEU A 33 6.139 -5.941 -1.163 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.326 -8.609 -2.511 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.736 -8.050 -1.634 1.00 0.00 H new ATOM 0 HG LEU A 33 5.013 -8.124 -0.334 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.600 -10.343 0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.445 -10.366 -1.211 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.058 -10.364 -0.458 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.361 -8.302 1.722 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.849 -8.244 0.746 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.762 -6.836 0.796 1.00 0.00 H new ATOM 529 N ALA A 34 7.796 -6.437 -3.993 1.00 0.00 N ATOM 530 CA ALA A 34 8.889 -5.927 -4.811 1.00 0.00 C ATOM 531 C ALA A 34 8.988 -4.409 -4.709 1.00 0.00 C ATOM 532 O ALA A 34 10.078 -3.842 -4.787 1.00 0.00 O ATOM 533 CB ALA A 34 8.705 -6.350 -6.261 1.00 0.00 C ATOM 0 H ALA A 34 7.308 -7.239 -4.393 1.00 0.00 H new ATOM 0 HA ALA A 34 9.820 -6.352 -4.436 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.529 -5.962 -6.860 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.692 -7.438 -6.324 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.763 -5.953 -6.639 1.00 0.00 H new ATOM 539 N ARG A 35 7.843 -3.756 -4.536 1.00 0.00 N ATOM 540 CA ARG A 35 7.801 -2.303 -4.427 1.00 0.00 C ATOM 541 C ARG A 35 8.240 -1.850 -3.037 1.00 0.00 C ATOM 542 O ARG A 35 9.029 -0.914 -2.898 1.00 0.00 O ATOM 543 CB ARG A 35 6.391 -1.788 -4.721 1.00 0.00 C ATOM 544 CG ARG A 35 6.106 -1.606 -6.203 1.00 0.00 C ATOM 545 CD ARG A 35 6.872 -0.424 -6.777 1.00 0.00 C ATOM 546 NE ARG A 35 6.309 0.853 -6.346 1.00 0.00 N ATOM 547 CZ ARG A 35 6.462 1.988 -7.019 1.00 0.00 C ATOM 548 NH1 ARG A 35 7.157 2.004 -8.148 1.00 0.00 N ATOM 549 NH2 ARG A 35 5.919 3.110 -6.563 1.00 0.00 N ATOM 0 H ARG A 35 6.932 -4.211 -4.468 1.00 0.00 H new ATOM 0 HA ARG A 35 8.492 -1.888 -5.161 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.664 -2.485 -4.303 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.248 -0.835 -4.212 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.379 -2.514 -6.741 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.037 -1.456 -6.353 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.915 -0.483 -6.468 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.859 -0.477 -7.866 1.00 0.00 H new ATOM 0 HE ARG A 35 5.769 0.874 -5.481 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.575 1.144 -8.501 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.273 2.877 -8.663 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.384 3.101 -5.695 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.037 3.981 -7.081 1.00 0.00 H new ATOM 563 N LEU A 36 7.723 -2.518 -2.012 1.00 0.00 N ATOM 564 CA LEU A 36 8.060 -2.184 -0.633 1.00 0.00 C ATOM 565 C LEU A 36 9.462 -2.672 -0.282 1.00 0.00 C ATOM 566 O LEU A 36 10.303 -1.897 0.171 1.00 0.00 O ATOM 567 CB LEU A 36 7.039 -2.799 0.326 1.00 0.00 C ATOM 568 CG LEU A 36 5.608 -2.271 0.211 1.00 0.00 C ATOM 569 CD1 LEU A 36 4.624 -3.260 0.818 1.00 0.00 C ATOM 570 CD2 LEU A 36 5.485 -0.912 0.884 1.00 0.00 C ATOM 0 H LEU A 36 7.069 -3.294 -2.110 1.00 0.00 H new ATOM 0 HA LEU A 36 8.036 -1.099 -0.532 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.022 -3.877 0.164 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.385 -2.635 1.347 1.00 0.00 H new ATOM 0 HG LEU A 36 5.368 -2.153 -0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.611 -2.868 0.727 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.693 -4.212 0.291 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.862 -3.410 1.871 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.460 -0.552 0.792 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.744 -1.003 1.939 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.162 -0.206 0.404 1.00 0.00 H new ATOM 582 N GLN A 37 9.705 -3.961 -0.496 1.00 0.00 N ATOM 583 CA GLN A 37 11.006 -4.551 -0.203 1.00 0.00 C ATOM 584 C GLN A 37 12.135 -3.647 -0.686 1.00 0.00 C ATOM 585 O GLN A 37 13.162 -3.509 -0.020 1.00 0.00 O ATOM 586 CB GLN A 37 11.123 -5.928 -0.859 1.00 0.00 C ATOM 587 CG GLN A 37 10.357 -7.018 -0.127 1.00 0.00 C ATOM 588 CD GLN A 37 11.209 -7.746 0.894 1.00 0.00 C ATOM 589 OE1 GLN A 37 11.007 -8.931 1.158 1.00 0.00 O ATOM 590 NE2 GLN A 37 12.170 -7.038 1.476 1.00 0.00 N ATOM 0 H GLN A 37 9.019 -4.616 -0.871 1.00 0.00 H new ATOM 0 HA GLN A 37 11.092 -4.662 0.878 1.00 0.00 H new ATOM 0 HB2 GLN A 37 10.758 -5.865 -1.884 1.00 0.00 H new ATOM 0 HB3 GLN A 37 12.175 -6.208 -0.912 1.00 0.00 H new ATOM 0 HG2 GLN A 37 9.495 -6.577 0.373 1.00 0.00 H new ATOM 0 HG3 GLN A 37 9.973 -7.736 -0.852 1.00 0.00 H new ATOM 0 HE21 GLN A 37 12.303 -6.058 1.228 1.00 0.00 H new ATOM 0 HE22 GLN A 37 12.775 -7.475 2.171 1.00 0.00 H new ATOM 599 N LYS A 38 11.939 -3.033 -1.848 1.00 0.00 N ATOM 600 CA LYS A 38 12.940 -2.141 -2.420 1.00 0.00 C ATOM 601 C LYS A 38 13.459 -1.161 -1.373 1.00 0.00 C ATOM 602 O LYS A 38 14.655 -1.122 -1.084 1.00 0.00 O ATOM 603 CB LYS A 38 12.350 -1.372 -3.605 1.00 0.00 C ATOM 604 CG LYS A 38 12.337 -2.167 -4.899 1.00 0.00 C ATOM 605 CD LYS A 38 11.230 -1.698 -5.830 1.00 0.00 C ATOM 606 CE LYS A 38 11.708 -0.582 -6.746 1.00 0.00 C ATOM 607 NZ LYS A 38 10.993 -0.593 -8.052 1.00 0.00 N ATOM 0 H LYS A 38 11.096 -3.137 -2.412 1.00 0.00 H new ATOM 0 HA LYS A 38 13.775 -2.749 -2.768 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.331 -1.073 -3.362 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.923 -0.457 -3.756 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.301 -2.067 -5.398 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.202 -3.225 -4.676 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.878 -2.537 -6.430 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.382 -1.349 -5.241 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.556 0.380 -6.257 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.779 -0.686 -6.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.347 0.182 -8.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.159 -1.501 -8.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.973 -0.468 -7.891 1.00 0.00 H new ATOM 621 N ASP A 39 12.552 -0.373 -0.806 1.00 0.00 N ATOM 622 CA ASP A 39 12.917 0.605 0.212 1.00 0.00 C ATOM 623 C ASP A 39 13.247 -0.084 1.533 1.00 0.00 C ATOM 624 O ASP A 39 13.901 0.495 2.400 1.00 0.00 O ATOM 625 CB ASP A 39 11.782 1.609 0.416 1.00 0.00 C ATOM 626 CG ASP A 39 11.845 2.761 -0.569 1.00 0.00 C ATOM 627 OD1 ASP A 39 12.632 3.701 -0.332 1.00 0.00 O ATOM 628 OD2 ASP A 39 11.107 2.723 -1.575 1.00 0.00 O ATOM 0 H ASP A 39 11.558 -0.393 -1.034 1.00 0.00 H new ATOM 0 HA ASP A 39 13.804 1.137 -0.132 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.825 1.098 0.312 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.825 2.001 1.432 1.00 0.00 H new ATOM 633 N GLY A 40 12.788 -1.323 1.680 1.00 0.00 N ATOM 634 CA GLY A 40 13.043 -2.069 2.899 1.00 0.00 C ATOM 635 C GLY A 40 11.769 -2.578 3.544 1.00 0.00 C ATOM 636 O GLY A 40 10.874 -1.798 3.868 1.00 0.00 O ATOM 0 H GLY A 40 12.244 -1.824 0.977 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.696 -2.913 2.675 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.576 -1.433 3.606 1.00 0.00 H new ATOM 640 N VAL A 41 11.686 -3.892 3.729 1.00 0.00 N ATOM 641 CA VAL A 41 10.512 -4.506 4.339 1.00 0.00 C ATOM 642 C VAL A 41 10.902 -5.370 5.533 1.00 0.00 C ATOM 643 O VAL A 41 11.962 -5.994 5.540 1.00 0.00 O ATOM 644 CB VAL A 41 9.739 -5.369 3.324 1.00 0.00 C ATOM 645 CG1 VAL A 41 8.801 -6.326 4.043 1.00 0.00 C ATOM 646 CG2 VAL A 41 8.972 -4.488 2.350 1.00 0.00 C ATOM 0 H VAL A 41 12.418 -4.552 3.465 1.00 0.00 H new ATOM 0 HA VAL A 41 9.869 -3.694 4.677 1.00 0.00 H new ATOM 0 HB VAL A 41 10.456 -5.960 2.755 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.263 -6.928 3.310 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.379 -6.980 4.696 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.088 -5.757 4.639 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.432 -5.115 1.640 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.263 -3.869 2.900 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.670 -3.848 1.811 1.00 0.00 H new ATOM 656 N ASN A 42 10.036 -5.401 6.541 1.00 0.00 N ATOM 657 CA ASN A 42 10.290 -6.190 7.741 1.00 0.00 C ATOM 658 C ASN A 42 9.722 -7.598 7.597 1.00 0.00 C ATOM 659 O ASN A 42 8.541 -7.774 7.299 1.00 0.00 O ATOM 660 CB ASN A 42 9.678 -5.504 8.965 1.00 0.00 C ATOM 661 CG ASN A 42 10.551 -4.383 9.495 1.00 0.00 C ATOM 662 OD1 ASN A 42 11.742 -4.571 9.741 1.00 0.00 O ATOM 663 ND2 ASN A 42 9.959 -3.207 9.675 1.00 0.00 N ATOM 0 H ASN A 42 9.153 -4.890 6.551 1.00 0.00 H new ATOM 0 HA ASN A 42 11.369 -6.265 7.875 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.698 -5.105 8.703 1.00 0.00 H new ATOM 0 HB3 ASN A 42 9.521 -6.242 9.752 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.495 -2.415 10.030 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.969 -3.096 9.458 1.00 0.00 H new ATOM 670 N GLN A 43 10.572 -8.598 7.811 1.00 0.00 N ATOM 671 CA GLN A 43 10.154 -9.991 7.704 1.00 0.00 C ATOM 672 C GLN A 43 8.894 -10.246 8.525 1.00 0.00 C ATOM 673 O GLN A 43 7.909 -10.784 8.019 1.00 0.00 O ATOM 674 CB GLN A 43 11.277 -10.919 8.170 1.00 0.00 C ATOM 675 CG GLN A 43 11.799 -10.592 9.561 1.00 0.00 C ATOM 676 CD GLN A 43 13.066 -11.351 9.902 1.00 0.00 C ATOM 677 OE1 GLN A 43 13.721 -11.914 9.024 1.00 0.00 O ATOM 678 NE2 GLN A 43 13.420 -11.369 11.182 1.00 0.00 N ATOM 0 H GLN A 43 11.553 -8.469 8.059 1.00 0.00 H new ATOM 0 HA GLN A 43 9.931 -10.198 6.657 1.00 0.00 H new ATOM 0 HB2 GLN A 43 10.915 -11.947 8.159 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.101 -10.863 7.459 1.00 0.00 H new ATOM 0 HG2 GLN A 43 11.992 -9.521 9.630 1.00 0.00 H new ATOM 0 HG3 GLN A 43 11.030 -10.826 10.298 1.00 0.00 H new ATOM 0 HE21 GLN A 43 12.847 -10.889 11.876 1.00 0.00 H new ATOM 0 HE22 GLN A 43 14.264 -11.863 11.471 1.00 0.00 H new ATOM 687 N LYS A 44 8.932 -9.856 9.794 1.00 0.00 N ATOM 688 CA LYS A 44 7.794 -10.040 10.687 1.00 0.00 C ATOM 689 C LYS A 44 6.537 -9.400 10.105 1.00 0.00 C ATOM 690 O LYS A 44 5.419 -9.750 10.483 1.00 0.00 O ATOM 691 CB LYS A 44 8.095 -9.441 12.062 1.00 0.00 C ATOM 692 CG LYS A 44 8.636 -8.023 12.003 1.00 0.00 C ATOM 693 CD LYS A 44 9.003 -7.508 13.384 1.00 0.00 C ATOM 694 CE LYS A 44 7.765 -7.255 14.232 1.00 0.00 C ATOM 695 NZ LYS A 44 7.221 -8.515 14.809 1.00 0.00 N ATOM 0 H LYS A 44 9.740 -9.410 10.228 1.00 0.00 H new ATOM 0 HA LYS A 44 7.619 -11.110 10.795 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.183 -9.448 12.660 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.818 -10.076 12.575 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.514 -7.994 11.358 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.890 -7.366 11.555 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.646 -8.232 13.884 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.575 -6.585 13.289 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.012 -6.564 15.038 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.000 -6.774 13.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.326 -8.755 14.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.905 -9.286 14.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.052 -8.386 15.827 1.00 0.00 H new ATOM 709 N ASP A 45 6.729 -8.462 9.185 1.00 0.00 N ATOM 710 CA ASP A 45 5.611 -7.774 8.549 1.00 0.00 C ATOM 711 C ASP A 45 5.186 -8.493 7.273 1.00 0.00 C ATOM 712 O ASP A 45 4.005 -8.518 6.926 1.00 0.00 O ATOM 713 CB ASP A 45 5.989 -6.326 8.232 1.00 0.00 C ATOM 714 CG ASP A 45 5.835 -5.412 9.431 1.00 0.00 C ATOM 715 OD1 ASP A 45 4.685 -5.058 9.764 1.00 0.00 O ATOM 716 OD2 ASP A 45 6.866 -5.049 10.037 1.00 0.00 O ATOM 0 H ASP A 45 7.648 -8.160 8.862 1.00 0.00 H new ATOM 0 HA ASP A 45 4.771 -7.778 9.244 1.00 0.00 H new ATOM 0 HB2 ASP A 45 7.021 -6.291 7.882 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.364 -5.960 7.417 1.00 0.00 H new ATOM 721 N LYS A 46 6.155 -9.077 6.577 1.00 0.00 N ATOM 722 CA LYS A 46 5.883 -9.797 5.339 1.00 0.00 C ATOM 723 C LYS A 46 4.740 -10.790 5.528 1.00 0.00 C ATOM 724 O LYS A 46 3.791 -10.814 4.745 1.00 0.00 O ATOM 725 CB LYS A 46 7.139 -10.533 4.866 1.00 0.00 C ATOM 726 CG LYS A 46 8.147 -9.631 4.174 1.00 0.00 C ATOM 727 CD LYS A 46 9.147 -10.435 3.360 1.00 0.00 C ATOM 728 CE LYS A 46 10.069 -11.248 4.254 1.00 0.00 C ATOM 729 NZ LYS A 46 10.835 -12.266 3.483 1.00 0.00 N ATOM 0 H LYS A 46 7.138 -9.066 6.850 1.00 0.00 H new ATOM 0 HA LYS A 46 5.589 -9.070 4.582 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.617 -11.007 5.723 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.847 -11.330 4.182 1.00 0.00 H new ATOM 0 HG2 LYS A 46 7.624 -8.932 3.522 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.676 -9.037 4.919 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.614 -11.102 2.683 1.00 0.00 H new ATOM 0 HD3 LYS A 46 9.740 -9.761 2.742 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.764 -10.580 4.763 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.481 -11.744 5.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.452 -12.799 4.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.173 -12.920 3.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.416 -11.791 2.763 1.00 0.00 H new ATOM 743 N ASN A 47 4.838 -11.607 6.571 1.00 0.00 N ATOM 744 CA ASN A 47 3.811 -12.601 6.863 1.00 0.00 C ATOM 745 C ASN A 47 2.454 -11.936 7.071 1.00 0.00 C ATOM 746 O ASN A 47 1.420 -12.477 6.681 1.00 0.00 O ATOM 747 CB ASN A 47 4.193 -13.409 8.105 1.00 0.00 C ATOM 748 CG ASN A 47 5.056 -14.610 7.770 1.00 0.00 C ATOM 749 OD1 ASN A 47 4.643 -15.497 7.023 1.00 0.00 O ATOM 750 ND2 ASN A 47 6.262 -14.644 8.325 1.00 0.00 N ATOM 0 H ASN A 47 5.618 -11.601 7.228 1.00 0.00 H new ATOM 0 HA ASN A 47 3.738 -13.274 6.009 1.00 0.00 H new ATOM 0 HB2 ASN A 47 4.727 -12.765 8.804 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.287 -13.745 8.609 1.00 0.00 H new ATOM 0 HD21 ASN A 47 6.888 -15.428 8.138 1.00 0.00 H new ATOM 0 HD22 ASN A 47 6.563 -13.886 8.938 1.00 0.00 H new ATOM 757 N SER A 48 2.466 -10.759 7.689 1.00 0.00 N ATOM 758 CA SER A 48 1.236 -10.022 7.953 1.00 0.00 C ATOM 759 C SER A 48 0.686 -9.407 6.670 1.00 0.00 C ATOM 760 O SER A 48 -0.528 -9.294 6.493 1.00 0.00 O ATOM 761 CB SER A 48 1.487 -8.926 8.990 1.00 0.00 C ATOM 762 OG SER A 48 1.711 -9.480 10.275 1.00 0.00 O ATOM 0 H SER A 48 3.314 -10.296 8.016 1.00 0.00 H new ATOM 0 HA SER A 48 0.498 -10.722 8.345 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.350 -8.330 8.692 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.631 -8.252 9.025 1.00 0.00 H new ATOM 0 HG SER A 48 1.871 -8.759 10.919 1.00 0.00 H new ATOM 768 N LEU A 49 1.586 -9.012 5.777 1.00 0.00 N ATOM 769 CA LEU A 49 1.193 -8.408 4.509 1.00 0.00 C ATOM 770 C LEU A 49 -0.036 -9.105 3.932 1.00 0.00 C ATOM 771 O LEU A 49 -1.049 -8.467 3.650 1.00 0.00 O ATOM 772 CB LEU A 49 2.348 -8.476 3.508 1.00 0.00 C ATOM 773 CG LEU A 49 2.337 -7.426 2.397 1.00 0.00 C ATOM 774 CD1 LEU A 49 3.227 -7.859 1.244 1.00 0.00 C ATOM 775 CD2 LEU A 49 0.916 -7.177 1.913 1.00 0.00 C ATOM 0 H LEU A 49 2.594 -9.099 5.908 1.00 0.00 H new ATOM 0 HA LEU A 49 0.943 -7.363 4.695 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.285 -8.384 4.058 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.345 -9.464 3.047 1.00 0.00 H new ATOM 0 HG LEU A 49 2.730 -6.493 2.801 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.206 -7.099 0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.249 -7.985 1.601 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.865 -8.804 0.840 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.927 -6.427 1.122 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.495 -8.105 1.527 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.306 -6.820 2.743 1.00 0.00 H new ATOM 787 N GLY A 50 0.061 -10.420 3.762 1.00 0.00 N ATOM 788 CA GLY A 50 -1.049 -11.182 3.222 1.00 0.00 C ATOM 789 C GLY A 50 -2.359 -10.871 3.919 1.00 0.00 C ATOM 790 O GLY A 50 -3.412 -10.827 3.285 1.00 0.00 O ATOM 0 H GLY A 50 0.889 -10.971 3.989 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.148 -10.969 2.158 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.835 -12.247 3.316 1.00 0.00 H new ATOM 794 N ALA A 51 -2.294 -10.657 5.229 1.00 0.00 N ATOM 795 CA ALA A 51 -3.484 -10.348 6.013 1.00 0.00 C ATOM 796 C ALA A 51 -3.960 -8.924 5.750 1.00 0.00 C ATOM 797 O ALA A 51 -5.160 -8.671 5.637 1.00 0.00 O ATOM 798 CB ALA A 51 -3.206 -10.549 7.495 1.00 0.00 C ATOM 0 H ALA A 51 -1.430 -10.692 5.770 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.278 -11.030 5.708 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.103 -10.315 8.068 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.921 -11.586 7.674 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.395 -9.891 7.806 1.00 0.00 H new ATOM 804 N ILE A 52 -3.013 -7.997 5.655 1.00 0.00 N ATOM 805 CA ILE A 52 -3.337 -6.597 5.405 1.00 0.00 C ATOM 806 C ILE A 52 -4.021 -6.424 4.053 1.00 0.00 C ATOM 807 O ILE A 52 -5.034 -5.732 3.942 1.00 0.00 O ATOM 808 CB ILE A 52 -2.077 -5.712 5.448 1.00 0.00 C ATOM 809 CG1 ILE A 52 -1.396 -5.822 6.814 1.00 0.00 C ATOM 810 CG2 ILE A 52 -2.437 -4.265 5.144 1.00 0.00 C ATOM 811 CD1 ILE A 52 0.024 -5.301 6.824 1.00 0.00 C ATOM 0 H ILE A 52 -2.016 -8.189 5.747 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.018 -6.284 6.196 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.379 -6.061 4.687 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.982 -5.270 7.549 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.394 -6.866 7.127 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.537 -3.651 5.178 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.882 -4.202 4.151 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.150 -3.904 5.885 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.445 -5.410 7.824 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.625 -5.869 6.114 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.027 -4.248 6.542 1.00 0.00 H new ATOM 823 N LEU A 53 -3.462 -7.058 3.029 1.00 0.00 N ATOM 824 CA LEU A 53 -4.019 -6.977 1.683 1.00 0.00 C ATOM 825 C LEU A 53 -5.522 -7.236 1.699 1.00 0.00 C ATOM 826 O LEU A 53 -6.269 -6.656 0.912 1.00 0.00 O ATOM 827 CB LEU A 53 -3.326 -7.982 0.761 1.00 0.00 C ATOM 828 CG LEU A 53 -1.896 -7.636 0.345 1.00 0.00 C ATOM 829 CD1 LEU A 53 -1.151 -8.887 -0.095 1.00 0.00 C ATOM 830 CD2 LEU A 53 -1.900 -6.597 -0.767 1.00 0.00 C ATOM 0 H LEU A 53 -2.624 -7.634 3.104 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.847 -5.969 1.306 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.314 -8.952 1.258 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.929 -8.093 -0.141 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.379 -7.214 1.207 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.135 -8.622 -0.387 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.117 -9.599 0.730 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.666 -9.338 -0.943 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.874 -6.363 -1.050 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.434 -6.991 -1.632 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.395 -5.691 -0.417 1.00 0.00 H new ATOM 842 N GLN A 54 -5.957 -8.109 2.601 1.00 0.00 N ATOM 843 CA GLN A 54 -7.371 -8.444 2.720 1.00 0.00 C ATOM 844 C GLN A 54 -8.076 -7.494 3.683 1.00 0.00 C ATOM 845 O GLN A 54 -9.302 -7.390 3.680 1.00 0.00 O ATOM 846 CB GLN A 54 -7.537 -9.888 3.196 1.00 0.00 C ATOM 847 CG GLN A 54 -7.576 -10.901 2.063 1.00 0.00 C ATOM 848 CD GLN A 54 -7.142 -12.285 2.503 1.00 0.00 C ATOM 849 OE1 GLN A 54 -6.134 -12.443 3.193 1.00 0.00 O ATOM 850 NE2 GLN A 54 -7.903 -13.299 2.107 1.00 0.00 N ATOM 0 H GLN A 54 -5.351 -8.597 3.260 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.827 -8.339 1.736 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.715 -10.137 3.867 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.457 -9.967 3.775 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.588 -10.952 1.661 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.929 -10.561 1.254 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.730 -13.124 1.536 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -7.661 -14.253 2.374 1.00 0.00 H new ATOM 859 N GLN A 55 -7.292 -6.805 4.507 1.00 0.00 N ATOM 860 CA GLN A 55 -7.842 -5.866 5.476 1.00 0.00 C ATOM 861 C GLN A 55 -8.032 -4.487 4.851 1.00 0.00 C ATOM 862 O GLN A 55 -8.846 -3.690 5.317 1.00 0.00 O ATOM 863 CB GLN A 55 -6.925 -5.763 6.696 1.00 0.00 C ATOM 864 CG GLN A 55 -6.933 -7.008 7.569 1.00 0.00 C ATOM 865 CD GLN A 55 -8.070 -7.011 8.571 1.00 0.00 C ATOM 866 OE1 GLN A 55 -9.206 -6.671 8.239 1.00 0.00 O ATOM 867 NE2 GLN A 55 -7.771 -7.397 9.806 1.00 0.00 N ATOM 0 H GLN A 55 -6.275 -6.880 4.522 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.816 -6.239 5.793 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.906 -5.572 6.359 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -7.228 -4.906 7.297 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -7.010 -7.891 6.935 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.985 -7.080 8.101 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.816 -7.671 10.038 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.496 -7.420 10.523 1.00 0.00 H new ATOM 876 N VAL A 56 -7.275 -4.213 3.793 1.00 0.00 N ATOM 877 CA VAL A 56 -7.360 -2.932 3.104 1.00 0.00 C ATOM 878 C VAL A 56 -7.676 -3.124 1.625 1.00 0.00 C ATOM 879 O VAL A 56 -8.214 -2.229 0.973 1.00 0.00 O ATOM 880 CB VAL A 56 -6.050 -2.133 3.239 1.00 0.00 C ATOM 881 CG1 VAL A 56 -5.756 -1.833 4.700 1.00 0.00 C ATOM 882 CG2 VAL A 56 -4.897 -2.891 2.599 1.00 0.00 C ATOM 0 H VAL A 56 -6.596 -4.862 3.395 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.168 -2.372 3.576 1.00 0.00 H new ATOM 0 HB VAL A 56 -6.167 -1.184 2.715 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.827 -1.268 4.776 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -6.572 -1.247 5.123 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.658 -2.768 5.251 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.979 -2.313 2.703 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.777 -3.855 3.093 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.108 -3.049 1.541 1.00 0.00 H new ATOM 892 N ALA A 57 -7.337 -4.297 1.100 1.00 0.00 N ATOM 893 CA ALA A 57 -7.586 -4.608 -0.302 1.00 0.00 C ATOM 894 C ALA A 57 -8.362 -5.913 -0.446 1.00 0.00 C ATOM 895 O ALA A 57 -8.655 -6.583 0.543 1.00 0.00 O ATOM 896 CB ALA A 57 -6.273 -4.684 -1.067 1.00 0.00 C ATOM 0 H ALA A 57 -6.889 -5.048 1.625 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.193 -3.807 -0.724 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.474 -4.917 -2.113 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.758 -3.726 -1.001 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.645 -5.464 -0.636 1.00 0.00 H new ATOM 902 N ASN A 58 -8.691 -6.267 -1.684 1.00 0.00 N ATOM 903 CA ASN A 58 -9.434 -7.492 -1.956 1.00 0.00 C ATOM 904 C ASN A 58 -8.701 -8.357 -2.977 1.00 0.00 C ATOM 905 O ASN A 58 -8.243 -7.865 -4.009 1.00 0.00 O ATOM 906 CB ASN A 58 -10.837 -7.160 -2.467 1.00 0.00 C ATOM 907 CG ASN A 58 -11.685 -6.467 -1.417 1.00 0.00 C ATOM 908 OD1 ASN A 58 -11.772 -6.920 -0.276 1.00 0.00 O ATOM 909 ND2 ASN A 58 -12.316 -5.364 -1.800 1.00 0.00 N ATOM 0 H ASN A 58 -8.455 -5.723 -2.514 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.517 -8.051 -1.024 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -10.759 -6.521 -3.347 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -11.333 -8.078 -2.783 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -12.902 -4.856 -1.138 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.215 -5.025 -2.757 1.00 0.00 H new ATOM 916 N LEU A 59 -8.594 -9.648 -2.682 1.00 0.00 N ATOM 917 CA LEU A 59 -7.917 -10.583 -3.574 1.00 0.00 C ATOM 918 C LEU A 59 -8.821 -10.976 -4.738 1.00 0.00 C ATOM 919 O LEU A 59 -9.984 -11.324 -4.543 1.00 0.00 O ATOM 920 CB LEU A 59 -7.486 -11.833 -2.803 1.00 0.00 C ATOM 921 CG LEU A 59 -6.241 -12.548 -3.328 1.00 0.00 C ATOM 922 CD1 LEU A 59 -5.846 -13.684 -2.397 1.00 0.00 C ATOM 923 CD2 LEU A 59 -6.478 -13.069 -4.737 1.00 0.00 C ATOM 0 H LEU A 59 -8.967 -10.071 -1.832 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.033 -10.088 -3.976 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.309 -11.552 -1.765 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -8.315 -12.541 -2.805 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.421 -11.831 -3.362 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.958 -14.182 -2.787 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.633 -13.284 -1.406 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.664 -14.401 -2.331 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.581 -13.575 -5.094 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.312 -13.771 -4.730 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.712 -12.235 -5.399 1.00 0.00 H new ATOM 935 N ASN A 60 -8.275 -10.920 -5.949 1.00 0.00 N ATOM 936 CA ASN A 60 -9.032 -11.272 -7.145 1.00 0.00 C ATOM 937 C ASN A 60 -8.531 -12.585 -7.739 1.00 0.00 C ATOM 938 O ASN A 60 -7.615 -12.596 -8.561 1.00 0.00 O ATOM 939 CB ASN A 60 -8.928 -10.156 -8.186 1.00 0.00 C ATOM 940 CG ASN A 60 -10.162 -10.067 -9.064 1.00 0.00 C ATOM 941 OD1 ASN A 60 -11.281 -10.295 -8.605 1.00 0.00 O ATOM 942 ND2 ASN A 60 -9.961 -9.735 -10.334 1.00 0.00 N ATOM 0 H ASN A 60 -7.312 -10.635 -6.128 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.076 -11.398 -6.860 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.777 -9.203 -7.679 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.052 -10.327 -8.812 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -10.753 -9.660 -10.973 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.015 -9.555 -10.670 1.00 0.00 H new ATOM 949 N SER A 61 -9.139 -13.689 -7.318 1.00 0.00 N ATOM 950 CA SER A 61 -8.753 -15.008 -7.805 1.00 0.00 C ATOM 951 C SER A 61 -8.416 -14.960 -9.292 1.00 0.00 C ATOM 952 O SER A 61 -7.549 -15.693 -9.769 1.00 0.00 O ATOM 953 CB SER A 61 -9.878 -16.016 -7.558 1.00 0.00 C ATOM 954 OG SER A 61 -9.746 -16.624 -6.285 1.00 0.00 O ATOM 0 H SER A 61 -9.901 -13.696 -6.640 1.00 0.00 H new ATOM 0 HA SER A 61 -7.865 -15.325 -7.258 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.843 -15.513 -7.626 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.862 -16.781 -8.334 1.00 0.00 H new ATOM 0 HG SER A 61 -10.477 -17.262 -6.150 1.00 0.00 H new ATOM 960 N LYS A 62 -9.108 -14.091 -10.022 1.00 0.00 N ATOM 961 CA LYS A 62 -8.883 -13.944 -11.455 1.00 0.00 C ATOM 962 C LYS A 62 -7.393 -13.994 -11.780 1.00 0.00 C ATOM 963 O LYS A 62 -6.915 -14.944 -12.400 1.00 0.00 O ATOM 964 CB LYS A 62 -9.480 -12.626 -11.953 1.00 0.00 C ATOM 965 CG LYS A 62 -10.032 -12.705 -13.366 1.00 0.00 C ATOM 966 CD LYS A 62 -11.230 -11.788 -13.548 1.00 0.00 C ATOM 967 CE LYS A 62 -12.534 -12.504 -13.230 1.00 0.00 C ATOM 968 NZ LYS A 62 -13.717 -11.630 -13.461 1.00 0.00 N ATOM 0 H LYS A 62 -9.830 -13.478 -9.644 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.376 -14.774 -11.962 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.278 -12.319 -11.277 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -8.714 -11.852 -11.914 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.253 -12.433 -14.078 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -10.322 -13.732 -13.588 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.125 -10.917 -12.901 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.256 -11.421 -14.574 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -12.617 -13.398 -13.847 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -12.523 -12.834 -12.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -14.586 -12.154 -13.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -13.651 -10.789 -12.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -13.742 -11.336 -14.458 1.00 0.00 H new ATOM 982 N ASP A 63 -6.665 -12.967 -11.356 1.00 0.00 N ATOM 983 CA ASP A 63 -5.229 -12.896 -11.600 1.00 0.00 C ATOM 984 C ASP A 63 -4.453 -12.911 -10.286 1.00 0.00 C ATOM 985 O ASP A 63 -3.255 -12.628 -10.257 1.00 0.00 O ATOM 986 CB ASP A 63 -4.887 -11.634 -12.393 1.00 0.00 C ATOM 987 CG ASP A 63 -3.613 -11.786 -13.201 1.00 0.00 C ATOM 988 OD1 ASP A 63 -2.610 -12.276 -12.641 1.00 0.00 O ATOM 989 OD2 ASP A 63 -3.619 -11.415 -14.393 1.00 0.00 O ATOM 0 H ASP A 63 -7.045 -12.172 -10.842 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.941 -13.771 -12.182 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -5.713 -11.395 -13.063 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.780 -10.794 -11.706 1.00 0.00 H new ATOM 994 N LEU A 64 -5.144 -13.243 -9.201 1.00 0.00 N ATOM 995 CA LEU A 64 -4.521 -13.295 -7.883 1.00 0.00 C ATOM 996 C LEU A 64 -3.948 -11.934 -7.498 1.00 0.00 C ATOM 997 O LEU A 64 -3.008 -11.847 -6.708 1.00 0.00 O ATOM 998 CB LEU A 64 -3.415 -14.351 -7.861 1.00 0.00 C ATOM 999 CG LEU A 64 -3.861 -15.784 -7.568 1.00 0.00 C ATOM 1000 CD1 LEU A 64 -2.795 -16.776 -8.007 1.00 0.00 C ATOM 1001 CD2 LEU A 64 -4.173 -15.953 -6.089 1.00 0.00 C ATOM 0 H LEU A 64 -6.136 -13.480 -9.208 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.287 -13.565 -7.156 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.910 -14.339 -8.827 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.678 -14.061 -7.112 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.770 -15.984 -8.136 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.130 -17.790 -7.790 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.621 -16.672 -9.078 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.869 -16.577 -7.468 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.489 -16.979 -5.899 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.282 -15.733 -5.502 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.973 -15.269 -5.805 1.00 0.00 H new ATOM 1013 N SER A 65 -4.522 -10.876 -8.061 1.00 0.00 N ATOM 1014 CA SER A 65 -4.067 -9.519 -7.778 1.00 0.00 C ATOM 1015 C SER A 65 -4.938 -8.867 -6.708 1.00 0.00 C ATOM 1016 O SER A 65 -6.161 -9.004 -6.719 1.00 0.00 O ATOM 1017 CB SER A 65 -4.088 -8.675 -9.053 1.00 0.00 C ATOM 1018 OG SER A 65 -5.407 -8.270 -9.375 1.00 0.00 O ATOM 0 H SER A 65 -5.302 -10.932 -8.715 1.00 0.00 H new ATOM 0 HA SER A 65 -3.044 -9.575 -7.405 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.456 -7.796 -8.922 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.668 -9.249 -9.879 1.00 0.00 H new ATOM 0 HG SER A 65 -5.393 -7.730 -10.193 1.00 0.00 H new ATOM 1024 N TYR A 66 -4.298 -8.157 -5.786 1.00 0.00 N ATOM 1025 CA TYR A 66 -5.012 -7.484 -4.707 1.00 0.00 C ATOM 1026 C TYR A 66 -5.414 -6.071 -5.118 1.00 0.00 C ATOM 1027 O TYR A 66 -4.583 -5.281 -5.566 1.00 0.00 O ATOM 1028 CB TYR A 66 -4.146 -7.434 -3.447 1.00 0.00 C ATOM 1029 CG TYR A 66 -4.089 -8.747 -2.699 1.00 0.00 C ATOM 1030 CD1 TYR A 66 -5.149 -9.162 -1.903 1.00 0.00 C ATOM 1031 CD2 TYR A 66 -2.974 -9.572 -2.789 1.00 0.00 C ATOM 1032 CE1 TYR A 66 -5.100 -10.360 -1.217 1.00 0.00 C ATOM 1033 CE2 TYR A 66 -2.918 -10.772 -2.108 1.00 0.00 C ATOM 1034 CZ TYR A 66 -3.983 -11.162 -1.323 1.00 0.00 C ATOM 1035 OH TYR A 66 -3.931 -12.357 -0.643 1.00 0.00 O ATOM 0 H TYR A 66 -3.286 -8.032 -5.764 1.00 0.00 H new ATOM 0 HA TYR A 66 -5.917 -8.053 -4.495 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.134 -7.139 -3.723 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.532 -6.663 -2.781 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -6.026 -8.538 -1.819 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -2.138 -9.270 -3.402 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.932 -10.667 -0.601 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.045 -11.402 -2.190 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.077 -12.801 -0.826 1.00 0.00 H new ATOM 1045 N THR A 67 -6.697 -5.758 -4.961 1.00 0.00 N ATOM 1046 CA THR A 67 -7.212 -4.442 -5.316 1.00 0.00 C ATOM 1047 C THR A 67 -7.576 -3.641 -4.071 1.00 0.00 C ATOM 1048 O THR A 67 -8.367 -4.091 -3.240 1.00 0.00 O ATOM 1049 CB THR A 67 -8.451 -4.549 -6.225 1.00 0.00 C ATOM 1050 OG1 THR A 67 -9.542 -5.127 -5.499 1.00 0.00 O ATOM 1051 CG2 THR A 67 -8.149 -5.392 -7.454 1.00 0.00 C ATOM 0 H THR A 67 -7.398 -6.399 -4.590 1.00 0.00 H new ATOM 0 HA THR A 67 -6.418 -3.927 -5.857 1.00 0.00 H new ATOM 0 HB THR A 67 -8.724 -3.545 -6.551 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.367 -5.060 -4.537 1.00 0.00 H new ATOM 0 HG21 THR A 67 -9.039 -5.453 -8.081 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.338 -4.933 -8.019 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.854 -6.394 -7.144 1.00 0.00 H new ATOM 1059 N LEU A 68 -6.997 -2.452 -3.948 1.00 0.00 N ATOM 1060 CA LEU A 68 -7.262 -1.586 -2.804 1.00 0.00 C ATOM 1061 C LEU A 68 -8.758 -1.331 -2.649 1.00 0.00 C ATOM 1062 O LEU A 68 -9.433 -0.937 -3.599 1.00 0.00 O ATOM 1063 CB LEU A 68 -6.520 -0.258 -2.961 1.00 0.00 C ATOM 1064 CG LEU A 68 -6.089 0.428 -1.664 1.00 0.00 C ATOM 1065 CD1 LEU A 68 -6.025 1.935 -1.853 1.00 0.00 C ATOM 1066 CD2 LEU A 68 -7.038 0.070 -0.530 1.00 0.00 C ATOM 0 H LEU A 68 -6.341 -2.065 -4.626 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.903 -2.091 -1.907 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.632 -0.431 -3.569 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.159 0.429 -3.517 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.092 0.073 -1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.717 2.406 -0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.304 2.173 -2.635 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.008 2.308 -2.140 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.716 0.567 0.385 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.047 0.395 -0.784 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.032 -1.009 -0.378 1.00 0.00 H new ATOM 1078 N LYS A 69 -9.269 -1.557 -1.443 1.00 0.00 N ATOM 1079 CA LYS A 69 -10.685 -1.349 -1.161 1.00 0.00 C ATOM 1080 C LYS A 69 -11.132 0.037 -1.616 1.00 0.00 C ATOM 1081 O LYS A 69 -10.357 0.786 -2.211 1.00 0.00 O ATOM 1082 CB LYS A 69 -10.958 -1.518 0.335 1.00 0.00 C ATOM 1083 CG LYS A 69 -11.072 -2.968 0.772 1.00 0.00 C ATOM 1084 CD LYS A 69 -10.915 -3.112 2.277 1.00 0.00 C ATOM 1085 CE LYS A 69 -10.592 -4.545 2.669 1.00 0.00 C ATOM 1086 NZ LYS A 69 -11.818 -5.388 2.750 1.00 0.00 N ATOM 0 H LYS A 69 -8.724 -1.884 -0.645 1.00 0.00 H new ATOM 0 HA LYS A 69 -11.254 -2.096 -1.715 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.157 -1.039 0.898 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -11.881 -0.997 0.588 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -12.040 -3.366 0.467 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.310 -3.562 0.267 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.122 -2.451 2.626 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.834 -2.797 2.772 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.904 -4.974 1.941 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.082 -4.552 3.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.712 -6.082 3.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.643 -4.784 2.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.956 -5.887 1.848 1.00 0.00 H new ATOM 1100 N ASP A 70 -12.386 0.371 -1.332 1.00 0.00 N ATOM 1101 CA ASP A 70 -12.936 1.668 -1.711 1.00 0.00 C ATOM 1102 C ASP A 70 -12.877 2.645 -0.541 1.00 0.00 C ATOM 1103 O ASP A 70 -12.552 3.820 -0.716 1.00 0.00 O ATOM 1104 CB ASP A 70 -14.380 1.513 -2.190 1.00 0.00 C ATOM 1105 CG ASP A 70 -14.862 2.719 -2.973 1.00 0.00 C ATOM 1106 OD1 ASP A 70 -15.064 3.785 -2.355 1.00 0.00 O ATOM 1107 OD2 ASP A 70 -15.038 2.596 -4.203 1.00 0.00 O ATOM 0 H ASP A 70 -13.041 -0.238 -0.841 1.00 0.00 H new ATOM 0 HA ASP A 70 -12.332 2.068 -2.526 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -14.459 0.623 -2.814 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -15.031 1.358 -1.329 1.00 0.00 H new ATOM 1112 N TYR A 71 -13.194 2.152 0.651 1.00 0.00 N ATOM 1113 CA TYR A 71 -13.181 2.983 1.850 1.00 0.00 C ATOM 1114 C TYR A 71 -11.759 3.408 2.202 1.00 0.00 C ATOM 1115 O TYR A 71 -11.509 4.567 2.533 1.00 0.00 O ATOM 1116 CB TYR A 71 -13.806 2.229 3.025 1.00 0.00 C ATOM 1117 CG TYR A 71 -12.798 1.490 3.876 1.00 0.00 C ATOM 1118 CD1 TYR A 71 -12.358 0.221 3.521 1.00 0.00 C ATOM 1119 CD2 TYR A 71 -12.287 2.061 5.035 1.00 0.00 C ATOM 1120 CE1 TYR A 71 -11.437 -0.458 4.295 1.00 0.00 C ATOM 1121 CE2 TYR A 71 -11.365 1.390 5.814 1.00 0.00 C ATOM 1122 CZ TYR A 71 -10.944 0.130 5.441 1.00 0.00 C ATOM 1123 OH TYR A 71 -10.027 -0.542 6.216 1.00 0.00 O ATOM 0 H TYR A 71 -13.463 1.182 0.813 1.00 0.00 H new ATOM 0 HA TYR A 71 -13.769 3.878 1.648 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -14.349 2.936 3.652 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -14.537 1.517 2.641 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -12.743 -0.243 2.625 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -12.616 3.046 5.332 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -11.105 -1.444 4.004 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -10.975 1.849 6.711 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.781 0.012 6.986 1.00 0.00 H new ATOM 1133 N VAL A 72 -10.830 2.460 2.129 1.00 0.00 N ATOM 1134 CA VAL A 72 -9.431 2.735 2.438 1.00 0.00 C ATOM 1135 C VAL A 72 -8.940 3.978 1.705 1.00 0.00 C ATOM 1136 O VAL A 72 -8.097 4.718 2.212 1.00 0.00 O ATOM 1137 CB VAL A 72 -8.530 1.543 2.065 1.00 0.00 C ATOM 1138 CG1 VAL A 72 -7.080 1.840 2.416 1.00 0.00 C ATOM 1139 CG2 VAL A 72 -9.006 0.277 2.761 1.00 0.00 C ATOM 0 H VAL A 72 -11.020 1.495 1.859 1.00 0.00 H new ATOM 0 HA VAL A 72 -9.371 2.904 3.513 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.594 1.385 0.988 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -6.458 0.987 2.145 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.746 2.721 1.868 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.996 2.026 3.487 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -8.358 -0.555 2.486 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -8.973 0.421 3.841 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -10.029 0.056 2.456 1.00 0.00 H new ATOM 1149 N PHE A 73 -9.474 4.203 0.509 1.00 0.00 N ATOM 1150 CA PHE A 73 -9.090 5.357 -0.295 1.00 0.00 C ATOM 1151 C PHE A 73 -9.122 6.635 0.538 1.00 0.00 C ATOM 1152 O PHE A 73 -8.331 7.553 0.320 1.00 0.00 O ATOM 1153 CB PHE A 73 -10.021 5.498 -1.501 1.00 0.00 C ATOM 1154 CG PHE A 73 -9.740 4.506 -2.594 1.00 0.00 C ATOM 1155 CD1 PHE A 73 -8.445 4.289 -3.035 1.00 0.00 C ATOM 1156 CD2 PHE A 73 -10.772 3.791 -3.180 1.00 0.00 C ATOM 1157 CE1 PHE A 73 -8.183 3.377 -4.040 1.00 0.00 C ATOM 1158 CE2 PHE A 73 -10.516 2.877 -4.185 1.00 0.00 C ATOM 1159 CZ PHE A 73 -9.220 2.671 -4.616 1.00 0.00 C ATOM 0 H PHE A 73 -10.174 3.601 0.075 1.00 0.00 H new ATOM 0 HA PHE A 73 -8.071 5.199 -0.648 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -11.053 5.379 -1.170 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -9.930 6.507 -1.904 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.630 4.839 -2.588 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -11.787 3.949 -2.848 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -7.169 3.217 -4.374 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -11.329 2.324 -4.633 1.00 0.00 H new ATOM 0 HZ PHE A 73 -9.018 1.959 -5.402 1.00 0.00 H new ATOM 1169 N LYS A 74 -10.043 6.688 1.495 1.00 0.00 N ATOM 1170 CA LYS A 74 -10.180 7.851 2.362 1.00 0.00 C ATOM 1171 C LYS A 74 -9.051 7.902 3.386 1.00 0.00 C ATOM 1172 O LYS A 74 -8.662 8.978 3.841 1.00 0.00 O ATOM 1173 CB LYS A 74 -11.532 7.823 3.079 1.00 0.00 C ATOM 1174 CG LYS A 74 -11.521 7.016 4.366 1.00 0.00 C ATOM 1175 CD LYS A 74 -12.906 6.936 4.986 1.00 0.00 C ATOM 1176 CE LYS A 74 -13.797 5.957 4.237 1.00 0.00 C ATOM 1177 NZ LYS A 74 -14.544 6.620 3.132 1.00 0.00 N ATOM 0 H LYS A 74 -10.706 5.938 1.689 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.124 8.745 1.740 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.836 8.845 3.304 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.282 7.408 2.406 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.154 6.010 4.163 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.829 7.470 5.076 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.822 6.629 6.028 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -13.365 7.924 4.981 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.188 5.150 3.830 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -14.504 5.504 4.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -15.555 6.390 3.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -14.417 7.650 3.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.182 6.283 2.217 1.00 0.00 H new ATOM 1191 N GLU A 75 -8.529 6.733 3.744 1.00 0.00 N ATOM 1192 CA GLU A 75 -7.444 6.647 4.714 1.00 0.00 C ATOM 1193 C GLU A 75 -6.120 7.081 4.090 1.00 0.00 C ATOM 1194 O GLU A 75 -5.196 7.495 4.792 1.00 0.00 O ATOM 1195 CB GLU A 75 -7.322 5.219 5.251 1.00 0.00 C ATOM 1196 CG GLU A 75 -8.601 4.696 5.884 1.00 0.00 C ATOM 1197 CD GLU A 75 -8.337 3.681 6.979 1.00 0.00 C ATOM 1198 OE1 GLU A 75 -7.926 4.093 8.084 1.00 0.00 O ATOM 1199 OE2 GLU A 75 -8.542 2.474 6.731 1.00 0.00 O ATOM 0 H GLU A 75 -8.840 5.833 3.377 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.675 7.320 5.539 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.033 4.556 4.435 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.521 5.184 5.989 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.166 5.532 6.297 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.223 4.240 5.114 1.00 0.00 H new ATOM 1206 N LEU A 76 -6.036 6.984 2.768 1.00 0.00 N ATOM 1207 CA LEU A 76 -4.826 7.366 2.048 1.00 0.00 C ATOM 1208 C LEU A 76 -4.396 8.782 2.419 1.00 0.00 C ATOM 1209 O LEU A 76 -5.086 9.473 3.167 1.00 0.00 O ATOM 1210 CB LEU A 76 -5.055 7.269 0.539 1.00 0.00 C ATOM 1211 CG LEU A 76 -5.086 5.857 -0.046 1.00 0.00 C ATOM 1212 CD1 LEU A 76 -5.548 5.888 -1.495 1.00 0.00 C ATOM 1213 CD2 LEU A 76 -3.715 5.204 0.064 1.00 0.00 C ATOM 0 H LEU A 76 -6.791 6.644 2.173 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.030 6.678 2.333 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.999 7.759 0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.269 7.832 0.036 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.797 5.263 0.528 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.563 4.874 -1.894 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.550 6.314 -1.548 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.862 6.498 -2.083 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.756 4.200 -0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.984 5.798 -0.484 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.423 5.146 1.112 1.00 0.00 H new ATOM 1225 N GLN A 77 -3.254 9.206 1.889 1.00 0.00 N ATOM 1226 CA GLN A 77 -2.734 10.540 2.163 1.00 0.00 C ATOM 1227 C GLN A 77 -2.254 11.212 0.880 1.00 0.00 C ATOM 1228 O GLN A 77 -1.195 10.875 0.351 1.00 0.00 O ATOM 1229 CB GLN A 77 -1.587 10.465 3.173 1.00 0.00 C ATOM 1230 CG GLN A 77 -1.832 9.474 4.299 1.00 0.00 C ATOM 1231 CD GLN A 77 -2.547 10.099 5.481 1.00 0.00 C ATOM 1232 OE1 GLN A 77 -2.870 11.287 5.469 1.00 0.00 O ATOM 1233 NE2 GLN A 77 -2.798 9.299 6.512 1.00 0.00 N ATOM 0 H GLN A 77 -2.671 8.645 1.267 1.00 0.00 H new ATOM 0 HA GLN A 77 -3.542 11.138 2.584 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.671 10.189 2.650 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.425 11.455 3.600 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -2.423 8.640 3.921 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.878 9.064 4.631 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -2.512 8.320 6.479 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -3.276 9.664 7.336 1.00 0.00 H new ATOM 1242 N ARG A 78 -3.040 12.162 0.386 1.00 0.00 N ATOM 1243 CA ARG A 78 -2.696 12.880 -0.835 1.00 0.00 C ATOM 1244 C ARG A 78 -1.293 13.472 -0.741 1.00 0.00 C ATOM 1245 O ARG A 78 -0.700 13.852 -1.750 1.00 0.00 O ATOM 1246 CB ARG A 78 -3.713 13.991 -1.103 1.00 0.00 C ATOM 1247 CG ARG A 78 -5.106 13.476 -1.430 1.00 0.00 C ATOM 1248 CD ARG A 78 -5.881 14.469 -2.282 1.00 0.00 C ATOM 1249 NE ARG A 78 -7.319 14.391 -2.040 1.00 0.00 N ATOM 1250 CZ ARG A 78 -8.229 14.938 -2.839 1.00 0.00 C ATOM 1251 NH1 ARG A 78 -7.852 15.599 -3.925 1.00 0.00 N ATOM 1252 NH2 ARG A 78 -9.519 14.825 -2.552 1.00 0.00 N ATOM 0 H ARG A 78 -3.920 12.453 0.813 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.717 12.170 -1.662 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.770 14.638 -0.228 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.358 14.605 -1.931 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.029 12.525 -1.957 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.651 13.285 -0.505 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.532 15.479 -2.069 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.680 14.277 -3.336 1.00 0.00 H new ATOM 0 HE ARG A 78 -7.642 13.889 -1.213 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.861 15.689 -4.149 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -8.553 16.018 -4.536 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -9.813 14.318 -1.717 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.217 15.245 -3.166 1.00 0.00 H new ATOM 1266 N ASP A 79 -0.770 13.549 0.478 1.00 0.00 N ATOM 1267 CA ASP A 79 0.563 14.095 0.704 1.00 0.00 C ATOM 1268 C ASP A 79 1.593 12.977 0.834 1.00 0.00 C ATOM 1269 O ASP A 79 2.683 13.182 1.369 1.00 0.00 O ATOM 1270 CB ASP A 79 0.575 14.964 1.963 1.00 0.00 C ATOM 1271 CG ASP A 79 0.009 14.242 3.170 1.00 0.00 C ATOM 1272 OD1 ASP A 79 0.187 13.010 3.262 1.00 0.00 O ATOM 1273 OD2 ASP A 79 -0.614 14.910 4.023 1.00 0.00 O ATOM 0 H ASP A 79 -1.249 13.240 1.324 1.00 0.00 H new ATOM 0 HA ASP A 79 0.827 14.711 -0.156 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.598 15.276 2.176 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -0.003 15.870 1.781 1.00 0.00 H new ATOM 1278 N TRP A 80 1.241 11.795 0.341 1.00 0.00 N ATOM 1279 CA TRP A 80 2.134 10.644 0.403 1.00 0.00 C ATOM 1280 C TRP A 80 3.395 10.889 -0.419 1.00 0.00 C ATOM 1281 O TRP A 80 3.342 11.114 -1.629 1.00 0.00 O ATOM 1282 CB TRP A 80 1.419 9.389 -0.100 1.00 0.00 C ATOM 1283 CG TRP A 80 2.230 8.139 0.058 1.00 0.00 C ATOM 1284 CD1 TRP A 80 2.861 7.441 -0.932 1.00 0.00 C ATOM 1285 CD2 TRP A 80 2.496 7.438 1.278 1.00 0.00 C ATOM 1286 NE1 TRP A 80 3.503 6.349 -0.401 1.00 0.00 N ATOM 1287 CE2 TRP A 80 3.296 6.325 0.953 1.00 0.00 C ATOM 1288 CE3 TRP A 80 2.139 7.644 2.613 1.00 0.00 C ATOM 1289 CZ2 TRP A 80 3.741 5.422 1.915 1.00 0.00 C ATOM 1290 CZ3 TRP A 80 2.581 6.747 3.567 1.00 0.00 C ATOM 1291 CH2 TRP A 80 3.376 5.648 3.214 1.00 0.00 C ATOM 0 H TRP A 80 0.343 11.609 -0.106 1.00 0.00 H new ATOM 0 HA TRP A 80 2.423 10.496 1.443 1.00 0.00 H new ATOM 0 HB2 TRP A 80 0.479 9.274 0.440 1.00 0.00 H new ATOM 0 HB3 TRP A 80 1.168 9.520 -1.153 1.00 0.00 H new ATOM 0 HD1 TRP A 80 2.856 7.708 -1.978 1.00 0.00 H new ATOM 0 HE1 TRP A 80 4.046 5.666 -0.929 1.00 0.00 H new ATOM 0 HE3 TRP A 80 1.528 8.489 2.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 4.352 4.574 1.645 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 2.309 6.895 4.602 1.00 0.00 H new ATOM 0 HH2 TRP A 80 3.707 4.966 3.983 1.00 0.00 H new ATOM 1302 N PRO A 81 4.557 10.844 0.249 1.00 0.00 N ATOM 1303 CA PRO A 81 5.853 11.058 -0.401 1.00 0.00 C ATOM 1304 C PRO A 81 6.231 9.911 -1.331 1.00 0.00 C ATOM 1305 O PRO A 81 7.311 9.908 -1.922 1.00 0.00 O ATOM 1306 CB PRO A 81 6.831 11.139 0.774 1.00 0.00 C ATOM 1307 CG PRO A 81 6.173 10.369 1.867 1.00 0.00 C ATOM 1308 CD PRO A 81 4.695 10.581 1.691 1.00 0.00 C ATOM 0 HA PRO A 81 5.850 11.947 -1.032 1.00 0.00 H new ATOM 0 HB2 PRO A 81 7.799 10.710 0.514 1.00 0.00 H new ATOM 0 HB3 PRO A 81 7.010 12.173 1.070 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.425 9.310 1.805 1.00 0.00 H new ATOM 0 HG3 PRO A 81 6.504 10.719 2.845 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.124 9.704 1.996 1.00 0.00 H new ATOM 0 HD3 PRO A 81 4.335 11.419 2.288 1.00 0.00 H new ATOM 1316 N GLY A 82 5.335 8.937 -1.457 1.00 0.00 N ATOM 1317 CA GLY A 82 5.594 7.797 -2.318 1.00 0.00 C ATOM 1318 C GLY A 82 5.101 8.017 -3.734 1.00 0.00 C ATOM 1319 O GLY A 82 5.414 7.237 -4.635 1.00 0.00 O ATOM 0 H GLY A 82 4.434 8.917 -0.978 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.665 7.595 -2.337 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.111 6.913 -1.901 1.00 0.00 H new ATOM 1323 N TYR A 83 4.328 9.078 -3.932 1.00 0.00 N ATOM 1324 CA TYR A 83 3.787 9.395 -5.249 1.00 0.00 C ATOM 1325 C TYR A 83 4.644 10.445 -5.951 1.00 0.00 C ATOM 1326 O TYR A 83 4.735 11.588 -5.505 1.00 0.00 O ATOM 1327 CB TYR A 83 2.347 9.896 -5.125 1.00 0.00 C ATOM 1328 CG TYR A 83 1.416 8.903 -4.467 1.00 0.00 C ATOM 1329 CD1 TYR A 83 1.408 7.568 -4.852 1.00 0.00 C ATOM 1330 CD2 TYR A 83 0.542 9.300 -3.463 1.00 0.00 C ATOM 1331 CE1 TYR A 83 0.558 6.658 -4.255 1.00 0.00 C ATOM 1332 CE2 TYR A 83 -0.311 8.397 -2.859 1.00 0.00 C ATOM 1333 CZ TYR A 83 -0.299 7.076 -3.259 1.00 0.00 C ATOM 1334 OH TYR A 83 -1.148 6.173 -2.661 1.00 0.00 O ATOM 0 H TYR A 83 4.061 9.734 -3.198 1.00 0.00 H new ATOM 0 HA TYR A 83 3.797 8.484 -5.847 1.00 0.00 H new ATOM 0 HB2 TYR A 83 2.342 10.822 -4.551 1.00 0.00 H new ATOM 0 HB3 TYR A 83 1.967 10.135 -6.118 1.00 0.00 H new ATOM 0 HD1 TYR A 83 2.078 7.236 -5.631 1.00 0.00 H new ATOM 0 HD2 TYR A 83 0.529 10.333 -3.149 1.00 0.00 H new ATOM 0 HE1 TYR A 83 0.564 5.624 -4.567 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -0.983 8.722 -2.079 1.00 0.00 H new ATOM 0 HH TYR A 83 -1.032 5.292 -3.074 1.00 0.00 H new ATOM 1344 N SER A 84 5.270 10.046 -7.054 1.00 0.00 N ATOM 1345 CA SER A 84 6.122 10.950 -7.818 1.00 0.00 C ATOM 1346 C SER A 84 5.295 12.051 -8.474 1.00 0.00 C ATOM 1347 O SER A 84 4.073 12.087 -8.341 1.00 0.00 O ATOM 1348 CB SER A 84 6.898 10.174 -8.884 1.00 0.00 C ATOM 1349 OG SER A 84 7.908 9.372 -8.297 1.00 0.00 O ATOM 0 H SER A 84 5.203 9.103 -7.438 1.00 0.00 H new ATOM 0 HA SER A 84 6.829 11.413 -7.129 1.00 0.00 H new ATOM 0 HB2 SER A 84 6.212 9.544 -9.451 1.00 0.00 H new ATOM 0 HB3 SER A 84 7.348 10.871 -9.591 1.00 0.00 H new ATOM 0 HG SER A 84 8.388 8.885 -8.999 1.00 0.00 H new ATOM 1355 N GLU A 85 5.973 12.948 -9.184 1.00 0.00 N ATOM 1356 CA GLU A 85 5.301 14.051 -9.861 1.00 0.00 C ATOM 1357 C GLU A 85 4.119 13.546 -10.683 1.00 0.00 C ATOM 1358 O GLU A 85 3.192 14.299 -10.983 1.00 0.00 O ATOM 1359 CB GLU A 85 6.284 14.798 -10.766 1.00 0.00 C ATOM 1360 CG GLU A 85 5.627 15.450 -11.970 1.00 0.00 C ATOM 1361 CD GLU A 85 6.595 16.292 -12.778 1.00 0.00 C ATOM 1362 OE1 GLU A 85 7.460 15.708 -13.464 1.00 0.00 O ATOM 1363 OE2 GLU A 85 6.489 17.535 -12.724 1.00 0.00 O ATOM 0 H GLU A 85 6.986 12.932 -9.305 1.00 0.00 H new ATOM 0 HA GLU A 85 4.926 14.736 -9.100 1.00 0.00 H new ATOM 0 HB2 GLU A 85 6.793 15.564 -10.181 1.00 0.00 H new ATOM 0 HB3 GLU A 85 7.048 14.101 -11.112 1.00 0.00 H new ATOM 0 HG2 GLU A 85 5.202 14.677 -12.610 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.800 16.076 -11.634 1.00 0.00 H new ATOM 1370 N ILE A 86 4.160 12.268 -11.044 1.00 0.00 N ATOM 1371 CA ILE A 86 3.093 11.662 -11.830 1.00 0.00 C ATOM 1372 C ILE A 86 2.084 10.953 -10.933 1.00 0.00 C ATOM 1373 O ILE A 86 0.890 11.254 -10.966 1.00 0.00 O ATOM 1374 CB ILE A 86 3.650 10.655 -12.854 1.00 0.00 C ATOM 1375 CG1 ILE A 86 4.672 11.335 -13.767 1.00 0.00 C ATOM 1376 CG2 ILE A 86 2.519 10.051 -13.672 1.00 0.00 C ATOM 1377 CD1 ILE A 86 6.090 11.260 -13.248 1.00 0.00 C ATOM 0 H ILE A 86 4.921 11.632 -10.805 1.00 0.00 H new ATOM 0 HA ILE A 86 2.595 12.472 -12.363 1.00 0.00 H new ATOM 0 HB ILE A 86 4.151 9.851 -12.315 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.630 10.873 -14.753 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.395 12.382 -13.893 1.00 0.00 H new ATOM 0 HG21 ILE A 86 2.929 9.342 -14.391 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.825 9.535 -13.008 1.00 0.00 H new ATOM 0 HG23 ILE A 86 1.991 10.843 -14.204 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.760 11.762 -13.946 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.148 11.748 -12.275 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.386 10.216 -13.149 1.00 0.00 H new ATOM 1389 N ASP A 87 2.571 10.012 -10.133 1.00 0.00 N ATOM 1390 CA ASP A 87 1.712 9.261 -9.224 1.00 0.00 C ATOM 1391 C ASP A 87 0.695 10.180 -8.554 1.00 0.00 C ATOM 1392 O ASP A 87 -0.504 9.905 -8.562 1.00 0.00 O ATOM 1393 CB ASP A 87 2.554 8.552 -8.162 1.00 0.00 C ATOM 1394 CG ASP A 87 3.561 7.593 -8.767 1.00 0.00 C ATOM 1395 OD1 ASP A 87 3.500 7.365 -9.993 1.00 0.00 O ATOM 1396 OD2 ASP A 87 4.410 7.071 -8.014 1.00 0.00 O ATOM 0 H ASP A 87 3.556 9.750 -10.095 1.00 0.00 H new ATOM 0 HA ASP A 87 1.172 8.515 -9.807 1.00 0.00 H new ATOM 0 HB2 ASP A 87 3.079 9.296 -7.563 1.00 0.00 H new ATOM 0 HB3 ASP A 87 1.896 8.005 -7.486 1.00 0.00 H new ATOM 1401 N ARG A 88 1.184 11.272 -7.974 1.00 0.00 N ATOM 1402 CA ARG A 88 0.318 12.230 -7.297 1.00 0.00 C ATOM 1403 C ARG A 88 -0.883 12.587 -8.169 1.00 0.00 C ATOM 1404 O ARG A 88 -2.028 12.519 -7.723 1.00 0.00 O ATOM 1405 CB ARG A 88 1.100 13.496 -6.945 1.00 0.00 C ATOM 1406 CG ARG A 88 1.988 13.342 -5.721 1.00 0.00 C ATOM 1407 CD ARG A 88 2.885 14.555 -5.527 1.00 0.00 C ATOM 1408 NE ARG A 88 2.197 15.638 -4.829 1.00 0.00 N ATOM 1409 CZ ARG A 88 1.422 16.529 -5.437 1.00 0.00 C ATOM 1410 NH1 ARG A 88 1.237 16.466 -6.748 1.00 0.00 N ATOM 1411 NH2 ARG A 88 0.830 17.485 -4.733 1.00 0.00 N ATOM 0 H ARG A 88 2.175 11.515 -7.960 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.045 11.768 -6.379 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.717 13.781 -7.797 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.397 14.311 -6.773 1.00 0.00 H new ATOM 0 HG2 ARG A 88 1.368 13.201 -4.836 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.602 12.447 -5.826 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.771 14.264 -4.962 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.229 14.911 -6.498 1.00 0.00 H new ATOM 0 HE ARG A 88 2.318 15.714 -3.819 1.00 0.00 H new ATOM 0 HH11 ARG A 88 1.690 15.732 -7.292 1.00 0.00 H new ATOM 0 HH12 ARG A 88 0.641 17.151 -7.213 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.970 17.536 -3.724 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.235 18.169 -5.201 1.00 0.00 H new ATOM 1425 N ARG A 89 -0.612 12.968 -9.413 1.00 0.00 N ATOM 1426 CA ARG A 89 -1.670 13.338 -10.346 1.00 0.00 C ATOM 1427 C ARG A 89 -2.459 12.109 -10.788 1.00 0.00 C ATOM 1428 O ARG A 89 -3.593 12.222 -11.253 1.00 0.00 O ATOM 1429 CB ARG A 89 -1.078 14.044 -11.567 1.00 0.00 C ATOM 1430 CG ARG A 89 -0.362 13.106 -12.525 1.00 0.00 C ATOM 1431 CD ARG A 89 -0.444 13.605 -13.959 1.00 0.00 C ATOM 1432 NE ARG A 89 -1.768 13.395 -14.537 1.00 0.00 N ATOM 1433 CZ ARG A 89 -2.074 13.683 -15.798 1.00 0.00 C ATOM 1434 NH1 ARG A 89 -1.154 14.189 -16.607 1.00 0.00 N ATOM 1435 NH2 ARG A 89 -3.302 13.463 -16.250 1.00 0.00 N ATOM 0 H ARG A 89 0.331 13.029 -9.798 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.349 14.020 -9.835 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.877 14.556 -12.103 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.378 14.809 -11.230 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.683 13.012 -12.231 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.802 12.111 -12.459 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.200 14.667 -13.988 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.302 13.090 -14.565 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.498 13.006 -13.941 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -0.209 14.358 -16.262 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.391 14.409 -17.574 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -4.011 13.073 -15.630 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.536 13.684 -17.218 1.00 0.00 H new ATOM 1449 N SER A 90 -1.851 10.937 -10.639 1.00 0.00 N ATOM 1450 CA SER A 90 -2.495 9.687 -11.027 1.00 0.00 C ATOM 1451 C SER A 90 -3.397 9.172 -9.910 1.00 0.00 C ATOM 1452 O SER A 90 -4.303 8.371 -10.147 1.00 0.00 O ATOM 1453 CB SER A 90 -1.442 8.633 -11.374 1.00 0.00 C ATOM 1454 OG SER A 90 -1.046 8.735 -12.731 1.00 0.00 O ATOM 0 H SER A 90 -0.914 10.826 -10.253 1.00 0.00 H new ATOM 0 HA SER A 90 -3.109 9.880 -11.907 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.573 8.756 -10.728 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.843 7.637 -11.183 1.00 0.00 H new ATOM 0 HG SER A 90 -0.371 8.052 -12.927 1.00 0.00 H new ATOM 1460 N LEU A 91 -3.144 9.637 -8.691 1.00 0.00 N ATOM 1461 CA LEU A 91 -3.934 9.224 -7.536 1.00 0.00 C ATOM 1462 C LEU A 91 -5.097 10.182 -7.300 1.00 0.00 C ATOM 1463 O LEU A 91 -6.192 9.763 -6.927 1.00 0.00 O ATOM 1464 CB LEU A 91 -3.051 9.158 -6.288 1.00 0.00 C ATOM 1465 CG LEU A 91 -3.747 9.451 -4.958 1.00 0.00 C ATOM 1466 CD1 LEU A 91 -3.078 8.687 -3.826 1.00 0.00 C ATOM 1467 CD2 LEU A 91 -3.741 10.945 -4.671 1.00 0.00 C ATOM 0 H LEU A 91 -2.399 10.300 -8.477 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.340 8.233 -7.740 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.609 8.163 -6.232 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.231 9.865 -6.410 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.783 9.119 -5.031 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.587 8.908 -2.888 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.134 7.617 -4.026 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.033 8.988 -3.752 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.240 11.135 -3.721 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.712 11.301 -4.618 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.266 11.471 -5.468 1.00 0.00 H new ATOM 1479 N GLU A 92 -4.851 11.469 -7.524 1.00 0.00 N ATOM 1480 CA GLU A 92 -5.879 12.486 -7.337 1.00 0.00 C ATOM 1481 C GLU A 92 -7.128 12.152 -8.146 1.00 0.00 C ATOM 1482 O GLU A 92 -8.206 12.691 -7.896 1.00 0.00 O ATOM 1483 CB GLU A 92 -5.346 13.862 -7.744 1.00 0.00 C ATOM 1484 CG GLU A 92 -5.121 14.010 -9.239 1.00 0.00 C ATOM 1485 CD GLU A 92 -4.923 15.453 -9.660 1.00 0.00 C ATOM 1486 OE1 GLU A 92 -5.921 16.203 -9.697 1.00 0.00 O ATOM 1487 OE2 GLU A 92 -3.769 15.832 -9.951 1.00 0.00 O ATOM 0 H GLU A 92 -3.950 11.832 -7.835 1.00 0.00 H new ATOM 0 HA GLU A 92 -6.147 12.506 -6.281 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -6.049 14.627 -7.414 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.406 14.047 -7.224 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -4.247 13.427 -9.530 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -5.974 13.593 -9.774 1.00 0.00 H new ATOM 1494 N SER A 93 -6.974 11.260 -9.120 1.00 0.00 N ATOM 1495 CA SER A 93 -8.088 10.857 -9.970 1.00 0.00 C ATOM 1496 C SER A 93 -8.897 9.741 -9.313 1.00 0.00 C ATOM 1497 O SER A 93 -10.071 9.918 -8.988 1.00 0.00 O ATOM 1498 CB SER A 93 -7.574 10.394 -11.334 1.00 0.00 C ATOM 1499 OG SER A 93 -8.555 10.582 -12.339 1.00 0.00 O ATOM 0 H SER A 93 -6.089 10.803 -9.340 1.00 0.00 H new ATOM 0 HA SER A 93 -8.738 11.721 -10.108 1.00 0.00 H new ATOM 0 HB2 SER A 93 -6.672 10.948 -11.594 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.298 9.341 -11.284 1.00 0.00 H new ATOM 0 HG SER A 93 -8.202 10.280 -13.202 1.00 0.00 H new ATOM 1505 N VAL A 94 -8.259 8.591 -9.121 1.00 0.00 N ATOM 1506 CA VAL A 94 -8.917 7.446 -8.503 1.00 0.00 C ATOM 1507 C VAL A 94 -9.698 7.865 -7.263 1.00 0.00 C ATOM 1508 O VAL A 94 -10.841 7.449 -7.066 1.00 0.00 O ATOM 1509 CB VAL A 94 -7.899 6.358 -8.111 1.00 0.00 C ATOM 1510 CG1 VAL A 94 -7.273 6.673 -6.762 1.00 0.00 C ATOM 1511 CG2 VAL A 94 -8.563 4.990 -8.094 1.00 0.00 C ATOM 0 H VAL A 94 -7.287 8.427 -9.384 1.00 0.00 H new ATOM 0 HA VAL A 94 -9.606 7.039 -9.243 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.105 6.342 -8.857 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -6.557 5.893 -6.502 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -6.761 7.634 -6.814 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -8.052 6.718 -6.001 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -7.830 4.233 -7.815 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.378 4.990 -7.370 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -8.958 4.765 -9.085 1.00 0.00 H new ATOM 1521 N LEU A 95 -9.076 8.692 -6.429 1.00 0.00 N ATOM 1522 CA LEU A 95 -9.714 9.169 -5.207 1.00 0.00 C ATOM 1523 C LEU A 95 -10.962 9.985 -5.527 1.00 0.00 C ATOM 1524 O LEU A 95 -11.896 10.047 -4.728 1.00 0.00 O ATOM 1525 CB LEU A 95 -8.733 10.014 -4.393 1.00 0.00 C ATOM 1526 CG LEU A 95 -7.419 9.332 -4.007 1.00 0.00 C ATOM 1527 CD1 LEU A 95 -6.580 10.249 -3.130 1.00 0.00 C ATOM 1528 CD2 LEU A 95 -7.692 8.014 -3.298 1.00 0.00 C ATOM 0 H LEU A 95 -8.131 9.046 -6.577 1.00 0.00 H new ATOM 0 HA LEU A 95 -10.011 8.301 -4.619 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.499 10.913 -4.963 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.233 10.337 -3.480 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.858 9.122 -4.918 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.649 9.748 -2.865 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.356 11.167 -3.673 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.133 10.490 -2.222 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.747 7.542 -3.030 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.273 8.200 -2.395 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.252 7.354 -3.960 1.00 0.00 H new ATOM 1540 N SER A 96 -10.971 10.607 -6.701 1.00 0.00 N ATOM 1541 CA SER A 96 -12.104 11.421 -7.127 1.00 0.00 C ATOM 1542 C SER A 96 -13.230 10.544 -7.668 1.00 0.00 C ATOM 1543 O SER A 96 -14.388 10.693 -7.279 1.00 0.00 O ATOM 1544 CB SER A 96 -11.666 12.425 -8.194 1.00 0.00 C ATOM 1545 OG SER A 96 -12.494 13.574 -8.184 1.00 0.00 O ATOM 0 H SER A 96 -10.206 10.563 -7.375 1.00 0.00 H new ATOM 0 HA SER A 96 -12.476 11.965 -6.259 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.631 12.718 -8.019 1.00 0.00 H new ATOM 0 HB3 SER A 96 -11.703 11.955 -9.177 1.00 0.00 H new ATOM 0 HG SER A 96 -12.192 14.201 -8.874 1.00 0.00 H new ATOM 1551 N ARG A 97 -12.880 9.631 -8.567 1.00 0.00 N ATOM 1552 CA ARG A 97 -13.859 8.731 -9.163 1.00 0.00 C ATOM 1553 C ARG A 97 -14.452 7.799 -8.111 1.00 0.00 C ATOM 1554 O ARG A 97 -15.634 7.457 -8.163 1.00 0.00 O ATOM 1555 CB ARG A 97 -13.215 7.910 -10.282 1.00 0.00 C ATOM 1556 CG ARG A 97 -12.236 8.703 -11.132 1.00 0.00 C ATOM 1557 CD ARG A 97 -12.154 8.152 -12.547 1.00 0.00 C ATOM 1558 NE ARG A 97 -13.298 8.558 -13.360 1.00 0.00 N ATOM 1559 CZ ARG A 97 -13.711 7.893 -14.432 1.00 0.00 C ATOM 1560 NH1 ARG A 97 -13.077 6.794 -14.819 1.00 0.00 N ATOM 1561 NH2 ARG A 97 -14.760 8.325 -15.120 1.00 0.00 N ATOM 0 H ARG A 97 -11.925 9.495 -8.899 1.00 0.00 H new ATOM 0 HA ARG A 97 -14.663 9.336 -9.582 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -12.695 7.058 -9.843 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -13.999 7.509 -10.924 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -12.544 9.748 -11.165 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -11.248 8.676 -10.672 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -11.234 8.498 -13.018 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -12.104 7.064 -12.510 1.00 0.00 H new ATOM 0 HE ARG A 97 -13.808 9.399 -13.089 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -12.270 6.458 -14.293 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -13.396 6.285 -15.643 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -15.250 9.169 -14.825 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -15.076 7.813 -15.944 1.00 0.00 H new ATOM 1575 N LYS A 98 -13.624 7.390 -7.156 1.00 0.00 N ATOM 1576 CA LYS A 98 -14.065 6.497 -6.090 1.00 0.00 C ATOM 1577 C LYS A 98 -14.937 7.241 -5.085 1.00 0.00 C ATOM 1578 O LYS A 98 -16.069 6.839 -4.812 1.00 0.00 O ATOM 1579 CB LYS A 98 -12.857 5.884 -5.378 1.00 0.00 C ATOM 1580 CG LYS A 98 -12.068 4.916 -6.243 1.00 0.00 C ATOM 1581 CD LYS A 98 -12.834 3.625 -6.476 1.00 0.00 C ATOM 1582 CE LYS A 98 -12.065 2.676 -7.382 1.00 0.00 C ATOM 1583 NZ LYS A 98 -12.485 1.261 -7.187 1.00 0.00 N ATOM 0 H LYS A 98 -12.643 7.663 -7.098 1.00 0.00 H new ATOM 0 HA LYS A 98 -14.657 5.700 -6.539 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -12.196 6.685 -5.048 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -13.199 5.363 -4.483 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -11.842 5.384 -7.201 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -11.114 4.693 -5.764 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -13.029 3.139 -5.520 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -13.802 3.851 -6.922 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -12.221 2.961 -8.422 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -10.997 2.769 -7.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -11.938 0.646 -7.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -12.313 0.981 -6.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -13.498 1.167 -7.402 1.00 0.00 H new ATOM 1597 N LEU A 99 -14.406 8.328 -4.537 1.00 0.00 N ATOM 1598 CA LEU A 99 -15.137 9.130 -3.562 1.00 0.00 C ATOM 1599 C LEU A 99 -16.108 10.079 -4.256 1.00 0.00 C ATOM 1600 O LEU A 99 -15.711 11.126 -4.765 1.00 0.00 O ATOM 1601 CB LEU A 99 -14.162 9.925 -2.692 1.00 0.00 C ATOM 1602 CG LEU A 99 -13.178 9.101 -1.861 1.00 0.00 C ATOM 1603 CD1 LEU A 99 -11.884 9.871 -1.649 1.00 0.00 C ATOM 1604 CD2 LEU A 99 -13.798 8.719 -0.525 1.00 0.00 C ATOM 0 H LEU A 99 -13.471 8.675 -4.751 1.00 0.00 H new ATOM 0 HA LEU A 99 -15.710 8.453 -2.928 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -13.591 10.592 -3.338 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -14.740 10.554 -2.015 1.00 0.00 H new ATOM 0 HG LEU A 99 -12.948 8.186 -2.407 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -11.196 9.269 -1.056 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -11.431 10.094 -2.615 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -12.097 10.802 -1.124 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -13.084 8.133 0.053 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -14.058 9.622 0.027 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -14.697 8.128 -0.697 1.00 0.00 H new ATOM 1616 N ASN A 100 -17.384 9.706 -4.271 1.00 0.00 N ATOM 1617 CA ASN A 100 -18.413 10.525 -4.901 1.00 0.00 C ATOM 1618 C ASN A 100 -18.462 11.915 -4.273 1.00 0.00 C ATOM 1619 O ASN A 100 -18.777 12.898 -4.943 1.00 0.00 O ATOM 1620 CB ASN A 100 -19.779 9.849 -4.778 1.00 0.00 C ATOM 1621 CG ASN A 100 -19.832 8.516 -5.500 1.00 0.00 C ATOM 1622 OD1 ASN A 100 -19.409 7.491 -4.965 1.00 0.00 O ATOM 1623 ND2 ASN A 100 -20.353 8.525 -6.721 1.00 0.00 N ATOM 0 H ASN A 100 -17.730 8.842 -3.854 1.00 0.00 H new ATOM 0 HA ASN A 100 -18.162 10.631 -5.956 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -20.013 9.698 -3.724 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -20.546 10.509 -5.183 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -20.415 7.658 -7.255 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -20.691 9.398 -7.125 1.00 0.00 H new TER 1630 ASN A 100