USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 755 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 43 TYR OH : rot 28:sc= 0.0192 USER MOD Set 1.2: A 65 GLN :FLIP amide:sc= -0.439 F(o=-2.2,f=-0.42) USER MOD Set 2.1: A 16 HIS : no HD1:sc= 0.263 K(o=0.68,f=-3) USER MOD Set 2.2: A 21 ASN :FLIP amide:sc= 0.416 F(o=-0.13,f=0.68) USER MOD Set 3.1: A 10 TYR OH : rot 180:sc= -0.538 USER MOD Set 3.2: A 14 GLN : amide:sc= -0.506 X(o=-1.8,f=-1.8) USER MOD Set 3.3: A 45 HIS : no HD1:sc= -0.766 X(o=-1.8,f=-1.9) USER MOD Single : A 1 GLU N :NH3+ 143:sc= -1.35 (180deg=-2.12!) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0743 USER MOD Single : A 18 LYS NZ :NH3+ 166:sc= 1.27 (180deg=1.2) USER MOD Single : A 19 HIS : no HD1:sc= -0.0986 K(o=-0.099,f=-1.2) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 95:sc= 0.196 USER MOD Single : A 39 TYR OH : rot 174:sc= 0.318 USER MOD Single : A 42 THR OG1 : rot 150:sc= -0.594 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 164:sc= -1.62! (180deg=-2.48!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -159:sc= 0.452 USER MOD Single : A 62 THR OG1 : rot 72:sc= 0.904 USER MOD Single : A 63 TYR OH : rot -162:sc= 0.575 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.126 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 66:sc= 0.652 USER MOD Single : A 83 GLN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 174:sc= 1.56 (180deg=1.11) USER MOD Single : A 94 HIS : no HD1:sc= -0.0696 X(o=-0.07,f=-0.55) USER MOD Single : A 95 HIS : no HD1:sc= -0.596 K(o=-0.6,f=-1.8) USER MOD Single : A 96 HIS : no HE2:sc= -0.378 K(o=-0.38,f=-1.3) USER MOD Single : A 97 HIS : no HE2:sc= 0.0967 K(o=0.097,f=-1.1) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=-0.00094) USER MOD Single : A 99 HIS : no HE2:sc= 0.0196 K(o=0.02,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 2.487 2.379 -2.070 1.00 34.45 N ATOM 2 CA GLU A 1 3.230 1.122 -1.768 1.00 51.23 C ATOM 3 C GLU A 1 2.757 -0.048 -2.650 1.00 41.32 C ATOM 4 O GLU A 1 3.038 -1.213 -2.360 1.00 52.01 O ATOM 5 CB GLU A 1 3.058 0.764 -0.284 1.00 45.21 C ATOM 6 CG GLU A 1 3.373 1.918 0.665 1.00 43.32 C ATOM 7 CD GLU A 1 4.736 2.536 0.402 1.00 53.42 C ATOM 8 OE1 GLU A 1 5.751 1.977 0.871 1.00 3.12 O ATOM 9 OE2 GLU A 1 4.795 3.569 -0.294 1.00 74.43 O ATOM 0 H1 GLU A 1 2.325 2.907 -1.189 1.00 34.45 H new ATOM 0 H2 GLU A 1 3.045 2.963 -2.725 1.00 34.45 H new ATOM 0 H3 GLU A 1 1.573 2.145 -2.507 1.00 34.45 H new ATOM 0 HA GLU A 1 4.284 1.294 -1.987 1.00 51.23 H new ATOM 0 HB2 GLU A 1 2.033 0.435 -0.115 1.00 45.21 H new ATOM 0 HB3 GLU A 1 3.706 -0.079 -0.045 1.00 45.21 H new ATOM 0 HG2 GLU A 1 2.605 2.685 0.565 1.00 43.32 H new ATOM 0 HG3 GLU A 1 3.333 1.559 1.693 1.00 43.32 H new ATOM 18 N ASP A 2 2.053 0.271 -3.732 1.00 74.11 N ATOM 19 CA ASP A 2 1.519 -0.737 -4.654 1.00 62.50 C ATOM 20 C ASP A 2 2.286 -0.728 -5.990 1.00 52.44 C ATOM 21 O ASP A 2 3.013 0.219 -6.286 1.00 74.01 O ATOM 22 CB ASP A 2 0.032 -0.458 -4.901 1.00 53.51 C ATOM 23 CG ASP A 2 -0.774 -0.513 -3.620 1.00 23.44 C ATOM 24 OD1 ASP A 2 -0.896 0.528 -2.939 1.00 25.44 O ATOM 25 OD2 ASP A 2 -1.275 -1.603 -3.277 1.00 71.24 O ATOM 0 H ASP A 2 1.835 1.231 -3.997 1.00 74.11 H new ATOM 0 HA ASP A 2 1.641 -1.722 -4.204 1.00 62.50 H new ATOM 0 HB2 ASP A 2 -0.082 0.524 -5.359 1.00 53.51 H new ATOM 0 HB3 ASP A 2 -0.361 -1.187 -5.609 1.00 53.51 H new ATOM 30 N PRO A 3 2.143 -1.786 -6.815 1.00 3.31 N ATOM 31 CA PRO A 3 2.758 -1.831 -8.157 1.00 4.42 C ATOM 32 C PRO A 3 2.401 -0.611 -9.032 1.00 70.10 C ATOM 33 O PRO A 3 3.106 -0.299 -9.989 1.00 4.11 O ATOM 34 CB PRO A 3 2.184 -3.119 -8.766 1.00 71.03 C ATOM 35 CG PRO A 3 1.856 -3.978 -7.592 1.00 73.44 C ATOM 36 CD PRO A 3 1.413 -3.035 -6.504 1.00 23.30 C ATOM 0 HA PRO A 3 3.846 -1.812 -8.099 1.00 4.42 H new ATOM 0 HB2 PRO A 3 1.298 -2.913 -9.366 1.00 71.03 H new ATOM 0 HB3 PRO A 3 2.907 -3.604 -9.422 1.00 71.03 H new ATOM 0 HG2 PRO A 3 1.068 -4.690 -7.837 1.00 73.44 H new ATOM 0 HG3 PRO A 3 2.724 -4.558 -7.277 1.00 73.44 H new ATOM 0 HD2 PRO A 3 0.334 -2.884 -6.518 1.00 23.30 H new ATOM 0 HD3 PRO A 3 1.669 -3.414 -5.515 1.00 23.30 H new ATOM 44 N GLU A 4 1.308 0.079 -8.694 1.00 50.32 N ATOM 45 CA GLU A 4 0.859 1.247 -9.466 1.00 34.21 C ATOM 46 C GLU A 4 1.550 2.547 -9.015 1.00 11.50 C ATOM 47 O GLU A 4 1.349 3.604 -9.618 1.00 31.23 O ATOM 48 CB GLU A 4 -0.666 1.393 -9.373 1.00 75.42 C ATOM 49 CG GLU A 4 -1.419 0.186 -9.920 1.00 23.24 C ATOM 50 CD GLU A 4 -2.924 0.383 -9.934 1.00 70.55 C ATOM 51 OE1 GLU A 4 -3.567 0.174 -8.883 1.00 0.25 O ATOM 52 OE2 GLU A 4 -3.471 0.744 -10.997 1.00 61.31 O ATOM 0 H GLU A 4 0.718 -0.148 -7.894 1.00 50.32 H new ATOM 0 HA GLU A 4 1.142 1.076 -10.505 1.00 34.21 H new ATOM 0 HB2 GLU A 4 -0.947 1.547 -8.331 1.00 75.42 H new ATOM 0 HB3 GLU A 4 -0.973 2.284 -9.921 1.00 75.42 H new ATOM 0 HG2 GLU A 4 -1.076 -0.021 -10.934 1.00 23.24 H new ATOM 0 HG3 GLU A 4 -1.178 -0.690 -9.317 1.00 23.24 H new ATOM 59 N ASP A 5 2.341 2.475 -7.946 1.00 50.51 N ATOM 60 CA ASP A 5 3.196 3.597 -7.546 1.00 72.10 C ATOM 61 C ASP A 5 4.346 3.776 -8.552 1.00 65.14 C ATOM 62 O ASP A 5 5.129 2.846 -8.771 1.00 33.31 O ATOM 63 CB ASP A 5 3.781 3.363 -6.146 1.00 63.13 C ATOM 64 CG ASP A 5 2.752 3.464 -5.035 1.00 2.02 C ATOM 65 OD1 ASP A 5 1.732 2.751 -5.083 1.00 21.01 O ATOM 66 OD2 ASP A 5 2.976 4.234 -4.076 1.00 25.42 O ATOM 0 H ASP A 5 2.409 1.656 -7.342 1.00 50.51 H new ATOM 0 HA ASP A 5 2.583 4.498 -7.529 1.00 72.10 H new ATOM 0 HB2 ASP A 5 4.243 2.376 -6.114 1.00 63.13 H new ATOM 0 HB3 ASP A 5 4.572 4.091 -5.965 1.00 63.13 H new ATOM 71 N PRO A 6 4.473 4.969 -9.174 1.00 41.31 N ATOM 72 CA PRO A 6 5.525 5.241 -10.169 1.00 62.13 C ATOM 73 C PRO A 6 6.924 4.815 -9.692 1.00 3.02 C ATOM 74 O PRO A 6 7.701 4.239 -10.456 1.00 31.33 O ATOM 75 CB PRO A 6 5.451 6.770 -10.379 1.00 70.52 C ATOM 76 CG PRO A 6 4.533 7.282 -9.313 1.00 53.33 C ATOM 77 CD PRO A 6 3.611 6.142 -8.973 1.00 34.40 C ATOM 0 HA PRO A 6 5.366 4.672 -11.085 1.00 62.13 H new ATOM 0 HB2 PRO A 6 6.438 7.225 -10.297 1.00 70.52 H new ATOM 0 HB3 PRO A 6 5.071 7.011 -11.372 1.00 70.52 H new ATOM 0 HG2 PRO A 6 5.095 7.603 -8.436 1.00 53.33 H new ATOM 0 HG3 PRO A 6 3.970 8.146 -9.665 1.00 53.33 H new ATOM 0 HD2 PRO A 6 3.245 6.207 -7.948 1.00 34.40 H new ATOM 0 HD3 PRO A 6 2.736 6.119 -9.623 1.00 34.40 H new ATOM 85 N PHE A 7 7.230 5.083 -8.422 1.00 72.21 N ATOM 86 CA PHE A 7 8.526 4.712 -7.843 1.00 53.53 C ATOM 87 C PHE A 7 8.628 3.196 -7.597 1.00 43.42 C ATOM 88 O PHE A 7 9.656 2.582 -7.883 1.00 43.02 O ATOM 89 CB PHE A 7 8.763 5.472 -6.530 1.00 43.30 C ATOM 90 CG PHE A 7 10.101 5.174 -5.897 1.00 64.21 C ATOM 91 CD1 PHE A 7 11.261 5.756 -6.389 1.00 25.34 C ATOM 92 CD2 PHE A 7 10.201 4.302 -4.820 1.00 24.25 C ATOM 93 CE1 PHE A 7 12.488 5.478 -5.820 1.00 33.11 C ATOM 94 CE2 PHE A 7 11.428 4.021 -4.249 1.00 73.23 C ATOM 95 CZ PHE A 7 12.573 4.610 -4.750 1.00 34.53 C ATOM 0 H PHE A 7 6.600 5.555 -7.773 1.00 72.21 H new ATOM 0 HA PHE A 7 9.296 4.987 -8.564 1.00 53.53 H new ATOM 0 HB2 PHE A 7 8.690 6.543 -6.721 1.00 43.30 H new ATOM 0 HB3 PHE A 7 7.971 5.219 -5.825 1.00 43.30 H new ATOM 0 HD1 PHE A 7 11.203 6.435 -7.227 1.00 25.34 H new ATOM 0 HD2 PHE A 7 9.310 3.838 -4.424 1.00 24.25 H new ATOM 0 HE1 PHE A 7 13.382 5.940 -6.212 1.00 33.11 H new ATOM 0 HE2 PHE A 7 11.492 3.342 -3.412 1.00 73.23 H new ATOM 0 HZ PHE A 7 13.533 4.392 -4.305 1.00 34.53 H new ATOM 105 N THR A 8 7.563 2.596 -7.064 1.00 2.31 N ATOM 106 CA THR A 8 7.561 1.157 -6.747 1.00 61.51 C ATOM 107 C THR A 8 7.776 0.294 -7.999 1.00 70.11 C ATOM 108 O THR A 8 8.677 -0.543 -8.038 1.00 22.21 O ATOM 109 CB THR A 8 6.247 0.724 -6.047 1.00 33.53 C ATOM 110 OG1 THR A 8 6.095 1.426 -4.802 1.00 31.11 O ATOM 111 CG2 THR A 8 6.222 -0.781 -5.788 1.00 11.34 C ATOM 0 H THR A 8 6.691 3.077 -6.841 1.00 2.31 H new ATOM 0 HA THR A 8 8.395 0.997 -6.063 1.00 61.51 H new ATOM 0 HB THR A 8 5.420 0.972 -6.713 1.00 33.53 H new ATOM 0 HG1 THR A 8 5.262 1.147 -4.369 1.00 31.11 H new ATOM 0 HG21 THR A 8 5.287 -1.050 -5.296 1.00 11.34 H new ATOM 0 HG22 THR A 8 6.301 -1.315 -6.735 1.00 11.34 H new ATOM 0 HG23 THR A 8 7.061 -1.054 -5.147 1.00 11.34 H new ATOM 119 N ARG A 9 6.953 0.500 -9.025 1.00 74.14 N ATOM 120 CA ARG A 9 7.092 -0.241 -10.288 1.00 63.01 C ATOM 121 C ARG A 9 8.469 0.013 -10.929 1.00 2.24 C ATOM 122 O ARG A 9 9.072 -0.886 -11.520 1.00 54.44 O ATOM 123 CB ARG A 9 5.958 0.148 -11.246 1.00 40.33 C ATOM 124 CG ARG A 9 5.926 1.631 -11.609 1.00 72.22 C ATOM 125 CD ARG A 9 4.570 2.053 -12.165 1.00 13.42 C ATOM 126 NE ARG A 9 4.150 1.235 -13.300 1.00 53.30 N ATOM 127 CZ ARG A 9 2.923 1.187 -13.751 1.00 60.22 C ATOM 128 NH1 ARG A 9 2.002 1.933 -13.233 1.00 73.55 N ATOM 129 NH2 ARG A 9 2.626 0.402 -14.733 1.00 41.22 N ATOM 0 H ARG A 9 6.184 1.170 -9.012 1.00 74.14 H new ATOM 0 HA ARG A 9 7.022 -1.308 -10.078 1.00 63.01 H new ATOM 0 HB2 ARG A 9 6.054 -0.436 -12.161 1.00 40.33 H new ATOM 0 HB3 ARG A 9 5.005 -0.124 -10.792 1.00 40.33 H new ATOM 0 HG2 ARG A 9 6.157 2.226 -10.725 1.00 72.22 H new ATOM 0 HG3 ARG A 9 6.701 1.841 -12.346 1.00 72.22 H new ATOM 0 HD2 ARG A 9 3.821 1.986 -11.376 1.00 13.42 H new ATOM 0 HD3 ARG A 9 4.616 3.098 -12.472 1.00 13.42 H new ATOM 0 HE ARG A 9 4.856 0.667 -13.769 1.00 53.30 H new ATOM 0 HH11 ARG A 9 2.230 2.566 -12.466 1.00 73.55 H new ATOM 0 HH12 ARG A 9 1.048 1.889 -13.591 1.00 73.55 H new ATOM 0 HH21 ARG A 9 3.348 -0.180 -15.157 1.00 41.22 H new ATOM 0 HH22 ARG A 9 1.669 0.365 -15.085 1.00 41.22 H new ATOM 143 N TYR A 10 8.965 1.241 -10.786 1.00 4.43 N ATOM 144 CA TYR A 10 10.320 1.597 -11.220 1.00 1.11 C ATOM 145 C TYR A 10 11.378 0.801 -10.432 1.00 20.55 C ATOM 146 O TYR A 10 12.392 0.367 -10.986 1.00 15.42 O ATOM 147 CB TYR A 10 10.522 3.107 -11.032 1.00 74.14 C ATOM 148 CG TYR A 10 11.916 3.618 -11.349 1.00 14.31 C ATOM 149 CD1 TYR A 10 12.366 3.717 -12.663 1.00 14.25 C ATOM 150 CD2 TYR A 10 12.772 4.030 -10.330 1.00 73.15 C ATOM 151 CE1 TYR A 10 13.626 4.208 -12.950 1.00 41.12 C ATOM 152 CE2 TYR A 10 14.032 4.518 -10.611 1.00 1.52 C ATOM 153 CZ TYR A 10 14.454 4.607 -11.920 1.00 52.13 C ATOM 154 OH TYR A 10 15.708 5.097 -12.200 1.00 62.14 O ATOM 0 H TYR A 10 8.446 2.014 -10.370 1.00 4.43 H new ATOM 0 HA TYR A 10 10.440 1.343 -12.273 1.00 1.11 H new ATOM 0 HB2 TYR A 10 9.807 3.634 -11.664 1.00 74.14 H new ATOM 0 HB3 TYR A 10 10.285 3.363 -9.999 1.00 74.14 H new ATOM 0 HD1 TYR A 10 11.720 3.405 -13.471 1.00 14.25 H new ATOM 0 HD2 TYR A 10 12.444 3.966 -9.303 1.00 73.15 H new ATOM 0 HE1 TYR A 10 13.961 4.279 -13.974 1.00 41.12 H new ATOM 0 HE2 TYR A 10 14.685 4.829 -9.809 1.00 1.52 H new ATOM 0 HH TYR A 10 16.161 5.333 -11.364 1.00 62.14 H new ATOM 164 N ALA A 11 11.123 0.605 -9.137 1.00 74.13 N ATOM 165 CA ALA A 11 12.007 -0.187 -8.278 1.00 63.22 C ATOM 166 C ALA A 11 12.024 -1.663 -8.708 1.00 54.35 C ATOM 167 O ALA A 11 13.083 -2.284 -8.772 1.00 13.45 O ATOM 168 CB ALA A 11 11.583 -0.059 -6.817 1.00 32.14 C ATOM 0 H ALA A 11 10.307 0.986 -8.658 1.00 74.13 H new ATOM 0 HA ALA A 11 13.019 0.203 -8.384 1.00 63.22 H new ATOM 0 HB1 ALA A 11 12.249 -0.653 -6.191 1.00 32.14 H new ATOM 0 HB2 ALA A 11 11.636 0.986 -6.513 1.00 32.14 H new ATOM 0 HB3 ALA A 11 10.561 -0.419 -6.702 1.00 32.14 H new ATOM 174 N LEU A 12 10.844 -2.220 -9.003 1.00 41.24 N ATOM 175 CA LEU A 12 10.743 -3.596 -9.520 1.00 31.00 C ATOM 176 C LEU A 12 11.499 -3.751 -10.850 1.00 33.20 C ATOM 177 O LEU A 12 12.109 -4.791 -11.114 1.00 52.12 O ATOM 178 CB LEU A 12 9.269 -4.012 -9.692 1.00 34.34 C ATOM 179 CG LEU A 12 8.573 -4.551 -8.425 1.00 31.11 C ATOM 180 CD1 LEU A 12 9.248 -5.835 -7.945 1.00 4.23 C ATOM 181 CD2 LEU A 12 8.558 -3.505 -7.314 1.00 52.23 C ATOM 0 H LEU A 12 9.948 -1.745 -8.895 1.00 41.24 H new ATOM 0 HA LEU A 12 11.207 -4.256 -8.787 1.00 31.00 H new ATOM 0 HB2 LEU A 12 8.708 -3.151 -10.054 1.00 34.34 H new ATOM 0 HB3 LEU A 12 9.215 -4.776 -10.467 1.00 34.34 H new ATOM 0 HG LEU A 12 7.539 -4.779 -8.684 1.00 31.11 H new ATOM 0 HD11 LEU A 12 8.743 -6.199 -7.051 1.00 4.23 H new ATOM 0 HD12 LEU A 12 9.190 -6.591 -8.728 1.00 4.23 H new ATOM 0 HD13 LEU A 12 10.294 -5.632 -7.714 1.00 4.23 H new ATOM 0 HD21 LEU A 12 8.061 -3.915 -6.435 1.00 52.23 H new ATOM 0 HD22 LEU A 12 9.582 -3.232 -7.058 1.00 52.23 H new ATOM 0 HD23 LEU A 12 8.021 -2.620 -7.655 1.00 52.23 H new ATOM 193 N ALA A 13 11.451 -2.716 -11.689 1.00 73.23 N ATOM 194 CA ALA A 13 12.236 -2.693 -12.927 1.00 3.35 C ATOM 195 C ALA A 13 13.738 -2.826 -12.625 1.00 43.24 C ATOM 196 O ALA A 13 14.441 -3.636 -13.237 1.00 13.43 O ATOM 197 CB ALA A 13 11.952 -1.415 -13.710 1.00 41.34 C ATOM 0 H ALA A 13 10.880 -1.885 -11.536 1.00 73.23 H new ATOM 0 HA ALA A 13 11.940 -3.546 -13.538 1.00 3.35 H new ATOM 0 HB1 ALA A 13 12.542 -1.411 -14.627 1.00 41.34 H new ATOM 0 HB2 ALA A 13 10.892 -1.369 -13.960 1.00 41.34 H new ATOM 0 HB3 ALA A 13 12.219 -0.550 -13.103 1.00 41.34 H new ATOM 203 N GLN A 14 14.214 -2.035 -11.660 1.00 61.44 N ATOM 204 CA GLN A 14 15.606 -2.112 -11.201 1.00 43.43 C ATOM 205 C GLN A 14 15.919 -3.499 -10.612 1.00 32.24 C ATOM 206 O GLN A 14 16.969 -4.081 -10.891 1.00 33.42 O ATOM 207 CB GLN A 14 15.877 -1.022 -10.149 1.00 65.54 C ATOM 208 CG GLN A 14 15.697 0.403 -10.671 1.00 22.23 C ATOM 209 CD GLN A 14 15.947 1.467 -9.609 1.00 15.03 C ATOM 210 OE1 GLN A 14 15.718 1.253 -8.422 1.00 32.34 O ATOM 211 NE2 GLN A 14 16.411 2.629 -10.029 1.00 22.54 N ATOM 0 H GLN A 14 13.654 -1.331 -11.179 1.00 61.44 H new ATOM 0 HA GLN A 14 16.256 -1.952 -12.061 1.00 43.43 H new ATOM 0 HB2 GLN A 14 15.209 -1.175 -9.302 1.00 65.54 H new ATOM 0 HB3 GLN A 14 16.895 -1.136 -9.777 1.00 65.54 H new ATOM 0 HG2 GLN A 14 16.378 0.566 -11.507 1.00 22.23 H new ATOM 0 HG3 GLN A 14 14.684 0.516 -11.058 1.00 22.23 H new ATOM 0 HE21 GLN A 14 16.592 2.777 -11.022 1.00 22.54 H new ATOM 0 HE22 GLN A 14 16.589 3.379 -9.361 1.00 22.54 H new ATOM 220 N GLU A 15 14.993 -4.024 -9.807 1.00 65.02 N ATOM 221 CA GLU A 15 15.145 -5.351 -9.194 1.00 55.33 C ATOM 222 C GLU A 15 15.311 -6.454 -10.245 1.00 25.32 C ATOM 223 O GLU A 15 16.211 -7.286 -10.139 1.00 73.13 O ATOM 224 CB GLU A 15 13.948 -5.672 -8.287 1.00 11.51 C ATOM 225 CG GLU A 15 13.972 -4.940 -6.949 1.00 54.14 C ATOM 226 CD GLU A 15 15.196 -5.296 -6.114 1.00 54.40 C ATOM 227 OE1 GLU A 15 15.393 -6.496 -5.819 1.00 72.23 O ATOM 228 OE2 GLU A 15 15.971 -4.384 -5.754 1.00 43.54 O ATOM 0 H GLU A 15 14.124 -3.549 -9.562 1.00 65.02 H new ATOM 0 HA GLU A 15 16.054 -5.321 -8.593 1.00 55.33 H new ATOM 0 HB2 GLU A 15 13.028 -5.417 -8.813 1.00 11.51 H new ATOM 0 HB3 GLU A 15 13.923 -6.746 -8.102 1.00 11.51 H new ATOM 0 HG2 GLU A 15 13.957 -3.865 -7.126 1.00 54.14 H new ATOM 0 HG3 GLU A 15 13.070 -5.184 -6.388 1.00 54.14 H new ATOM 235 N HIS A 16 14.448 -6.466 -11.260 1.00 13.45 N ATOM 236 CA HIS A 16 14.544 -7.469 -12.323 1.00 42.32 C ATOM 237 C HIS A 16 15.918 -7.429 -13.012 1.00 32.44 C ATOM 238 O HIS A 16 16.486 -8.474 -13.315 1.00 31.24 O ATOM 239 CB HIS A 16 13.413 -7.304 -13.342 1.00 55.21 C ATOM 240 CG HIS A 16 12.105 -7.867 -12.867 1.00 2.31 C ATOM 241 ND1 HIS A 16 11.861 -9.224 -12.775 1.00 33.12 N ATOM 242 CD2 HIS A 16 10.966 -7.259 -12.455 1.00 4.42 C ATOM 243 CE1 HIS A 16 10.636 -9.421 -12.331 1.00 42.53 C ATOM 244 NE2 HIS A 16 10.073 -8.247 -12.129 1.00 25.14 N ATOM 0 H HIS A 16 13.682 -5.801 -11.370 1.00 13.45 H new ATOM 0 HA HIS A 16 14.437 -8.449 -11.859 1.00 42.32 H new ATOM 0 HB2 HIS A 16 13.286 -6.245 -13.566 1.00 55.21 H new ATOM 0 HB3 HIS A 16 13.696 -7.795 -14.273 1.00 55.21 H new ATOM 0 HD2 HIS A 16 10.794 -6.195 -12.395 1.00 4.42 H new ATOM 0 HE1 HIS A 16 10.172 -10.382 -12.161 1.00 42.53 H new ATOM 0 HE2 HIS A 16 9.124 -8.097 -11.785 1.00 25.14 H new ATOM 253 N LEU A 17 16.456 -6.229 -13.237 1.00 33.42 N ATOM 254 CA LEU A 17 17.827 -6.087 -13.754 1.00 2.32 C ATOM 255 C LEU A 17 18.842 -6.732 -12.791 1.00 41.02 C ATOM 256 O LEU A 17 19.717 -7.499 -13.204 1.00 33.35 O ATOM 257 CB LEU A 17 18.175 -4.603 -13.957 1.00 12.42 C ATOM 258 CG LEU A 17 17.363 -3.875 -15.041 1.00 4.42 C ATOM 259 CD1 LEU A 17 17.687 -2.382 -15.044 1.00 24.01 C ATOM 260 CD2 LEU A 17 17.631 -4.485 -16.417 1.00 21.13 C ATOM 0 H LEU A 17 15.972 -5.346 -13.073 1.00 33.42 H new ATOM 0 HA LEU A 17 17.880 -6.599 -14.715 1.00 2.32 H new ATOM 0 HB2 LEU A 17 18.033 -4.082 -13.010 1.00 12.42 H new ATOM 0 HB3 LEU A 17 19.233 -4.527 -14.208 1.00 12.42 H new ATOM 0 HG LEU A 17 16.304 -3.996 -14.813 1.00 4.42 H new ATOM 0 HD11 LEU A 17 17.103 -1.884 -15.818 1.00 24.01 H new ATOM 0 HD12 LEU A 17 17.441 -1.954 -14.072 1.00 24.01 H new ATOM 0 HD13 LEU A 17 18.749 -2.241 -15.244 1.00 24.01 H new ATOM 0 HD21 LEU A 17 17.047 -3.956 -17.170 1.00 21.13 H new ATOM 0 HD22 LEU A 17 18.692 -4.398 -16.653 1.00 21.13 H new ATOM 0 HD23 LEU A 17 17.346 -5.537 -16.410 1.00 21.13 H new ATOM 272 N LYS A 18 18.700 -6.417 -11.503 1.00 12.20 N ATOM 273 CA LYS A 18 19.553 -6.979 -10.446 1.00 54.15 C ATOM 274 C LYS A 18 19.406 -8.508 -10.346 1.00 34.34 C ATOM 275 O LYS A 18 20.325 -9.207 -9.911 1.00 1.11 O ATOM 276 CB LYS A 18 19.185 -6.343 -9.097 1.00 71.22 C ATOM 277 CG LYS A 18 19.424 -4.836 -9.026 1.00 35.33 C ATOM 278 CD LYS A 18 18.833 -4.232 -7.753 1.00 11.23 C ATOM 279 CE LYS A 18 19.377 -4.906 -6.498 1.00 32.54 C ATOM 280 NZ LYS A 18 18.718 -4.406 -5.264 1.00 33.01 N ATOM 0 H LYS A 18 17.993 -5.767 -11.160 1.00 12.20 H new ATOM 0 HA LYS A 18 20.589 -6.756 -10.700 1.00 54.15 H new ATOM 0 HB2 LYS A 18 18.134 -6.542 -8.889 1.00 71.22 H new ATOM 0 HB3 LYS A 18 19.763 -6.828 -8.310 1.00 71.22 H new ATOM 0 HG2 LYS A 18 20.495 -4.635 -9.062 1.00 35.33 H new ATOM 0 HG3 LYS A 18 18.980 -4.355 -9.898 1.00 35.33 H new ATOM 0 HD2 LYS A 18 19.058 -3.166 -7.719 1.00 11.23 H new ATOM 0 HD3 LYS A 18 17.748 -4.329 -7.775 1.00 11.23 H new ATOM 0 HE2 LYS A 18 19.232 -5.984 -6.574 1.00 32.54 H new ATOM 0 HE3 LYS A 18 20.451 -4.732 -6.431 1.00 32.54 H new ATOM 0 HZ1 LYS A 18 18.937 -5.043 -4.471 1.00 33.01 H new ATOM 0 HZ2 LYS A 18 19.066 -3.450 -5.047 1.00 33.01 H new ATOM 0 HZ3 LYS A 18 17.689 -4.375 -5.409 1.00 33.01 H new ATOM 294 N HIS A 19 18.239 -9.017 -10.740 1.00 31.33 N ATOM 295 CA HIS A 19 17.950 -10.454 -10.680 1.00 20.52 C ATOM 296 C HIS A 19 17.984 -11.102 -12.078 1.00 12.13 C ATOM 297 O HIS A 19 17.233 -12.040 -12.355 1.00 65.00 O ATOM 298 CB HIS A 19 16.587 -10.686 -10.010 1.00 65.42 C ATOM 299 CG HIS A 19 16.529 -10.207 -8.586 1.00 64.34 C ATOM 300 ND1 HIS A 19 17.284 -10.761 -7.575 1.00 71.22 N ATOM 301 CD2 HIS A 19 15.819 -9.205 -8.007 1.00 4.22 C ATOM 302 CE1 HIS A 19 17.045 -10.128 -6.446 1.00 2.44 C ATOM 303 NE2 HIS A 19 16.162 -9.179 -6.679 1.00 61.43 N ATOM 0 H HIS A 19 17.472 -8.453 -11.107 1.00 31.33 H new ATOM 0 HA HIS A 19 18.729 -10.930 -10.084 1.00 20.52 H new ATOM 0 HB2 HIS A 19 15.816 -10.177 -10.588 1.00 65.42 H new ATOM 0 HB3 HIS A 19 16.355 -11.751 -10.037 1.00 65.42 H new ATOM 0 HD2 HIS A 19 15.115 -8.551 -8.500 1.00 4.22 H new ATOM 0 HE1 HIS A 19 17.497 -10.349 -5.490 1.00 2.44 H new ATOM 0 HE2 HIS A 19 15.793 -8.530 -5.984 1.00 61.43 H new ATOM 312 N ASP A 20 18.850 -10.580 -12.955 1.00 34.31 N ATOM 313 CA ASP A 20 19.131 -11.187 -14.273 1.00 70.02 C ATOM 314 C ASP A 20 18.003 -10.969 -15.307 1.00 24.31 C ATOM 315 O ASP A 20 18.221 -11.133 -16.508 1.00 73.50 O ATOM 316 CB ASP A 20 19.431 -12.688 -14.113 1.00 4.45 C ATOM 317 CG ASP A 20 19.785 -13.362 -15.426 1.00 43.53 C ATOM 318 OD1 ASP A 20 20.946 -13.234 -15.868 1.00 45.51 O ATOM 319 OD2 ASP A 20 18.905 -14.025 -16.021 1.00 24.11 O ATOM 0 H ASP A 20 19.378 -9.726 -12.776 1.00 34.31 H new ATOM 0 HA ASP A 20 20.008 -10.675 -14.668 1.00 70.02 H new ATOM 0 HB2 ASP A 20 20.255 -12.816 -13.411 1.00 4.45 H new ATOM 0 HB3 ASP A 20 18.562 -13.183 -13.679 1.00 4.45 H new ATOM 324 N ASN A 21 16.815 -10.590 -14.853 1.00 25.32 N ATOM 325 CA ASN A 21 15.661 -10.426 -15.746 1.00 24.14 C ATOM 326 C ASN A 21 15.746 -9.126 -16.567 1.00 1.43 C ATOM 327 O ASN A 21 14.997 -8.172 -16.324 1.00 1.30 O ATOM 328 CB ASN A 21 14.362 -10.439 -14.939 1.00 64.22 C ATOM 329 CG ASN A 21 14.129 -11.736 -14.195 1.00 43.43 C ATOM 330 OD1 ASN A 21 14.477 -12.847 -14.805 1.00 41.43 O flip ATOM 331 ND2 ASN A 21 13.597 -11.739 -13.090 1.00 22.04 N flip ATOM 0 H ASN A 21 16.619 -10.389 -13.872 1.00 25.32 H new ATOM 0 HA ASN A 21 15.671 -11.264 -16.443 1.00 24.14 H new ATOM 0 HB2 ASN A 21 14.379 -9.617 -14.224 1.00 64.22 H new ATOM 0 HB3 ASN A 21 13.523 -10.259 -15.612 1.00 64.22 H new ATOM 0 HD21 ASN A 21 13.340 -10.858 -12.645 1.00 22.04 H new ATOM 0 HD22 ASN A 21 13.412 -12.623 -12.616 1.00 22.04 H new ATOM 338 N ALA A 22 16.654 -9.096 -17.537 1.00 33.24 N ATOM 339 CA ALA A 22 16.836 -7.922 -18.395 1.00 35.41 C ATOM 340 C ALA A 22 15.602 -7.668 -19.274 1.00 75.12 C ATOM 341 O ALA A 22 15.116 -6.540 -19.367 1.00 41.54 O ATOM 342 CB ALA A 22 18.081 -8.090 -19.259 1.00 21.24 C ATOM 0 H ALA A 22 17.279 -9.873 -17.752 1.00 33.24 H new ATOM 0 HA ALA A 22 16.965 -7.053 -17.750 1.00 35.41 H new ATOM 0 HB1 ALA A 22 18.206 -7.212 -19.892 1.00 21.24 H new ATOM 0 HB2 ALA A 22 18.956 -8.203 -18.619 1.00 21.24 H new ATOM 0 HB3 ALA A 22 17.973 -8.976 -19.885 1.00 21.24 H new ATOM 348 N SER A 23 15.094 -8.725 -19.905 1.00 5.23 N ATOM 349 CA SER A 23 13.912 -8.621 -20.779 1.00 0.41 C ATOM 350 C SER A 23 12.653 -8.246 -19.982 1.00 25.30 C ATOM 351 O SER A 23 11.885 -7.375 -20.390 1.00 41.51 O ATOM 352 CB SER A 23 13.672 -9.939 -21.531 1.00 14.13 C ATOM 353 OG SER A 23 14.795 -10.299 -22.322 1.00 73.02 O ATOM 0 H SER A 23 15.478 -9.667 -19.831 1.00 5.23 H new ATOM 0 HA SER A 23 14.113 -7.828 -21.500 1.00 0.41 H new ATOM 0 HB2 SER A 23 13.460 -10.734 -20.816 1.00 14.13 H new ATOM 0 HB3 SER A 23 12.793 -9.841 -22.168 1.00 14.13 H new ATOM 0 HG SER A 23 14.611 -11.142 -22.786 1.00 73.02 H new ATOM 359 N ARG A 24 12.444 -8.907 -18.840 1.00 42.11 N ATOM 360 CA ARG A 24 11.299 -8.601 -17.966 1.00 0.51 C ATOM 361 C ARG A 24 11.337 -7.143 -17.479 1.00 11.24 C ATOM 362 O ARG A 24 10.303 -6.480 -17.389 1.00 42.53 O ATOM 363 CB ARG A 24 11.272 -9.561 -16.768 1.00 14.44 C ATOM 364 CG ARG A 24 11.078 -11.023 -17.160 1.00 53.50 C ATOM 365 CD ARG A 24 9.697 -11.275 -17.761 1.00 41.54 C ATOM 366 NE ARG A 24 9.582 -12.621 -18.318 1.00 22.51 N ATOM 367 CZ ARG A 24 8.733 -13.524 -17.904 1.00 52.40 C ATOM 368 NH1 ARG A 24 7.980 -13.303 -16.877 1.00 42.42 N ATOM 369 NH2 ARG A 24 8.657 -14.662 -18.509 1.00 1.32 N ATOM 0 H ARG A 24 13.047 -9.655 -18.497 1.00 42.11 H new ATOM 0 HA ARG A 24 10.389 -8.735 -18.550 1.00 0.51 H new ATOM 0 HB2 ARG A 24 12.205 -9.463 -16.214 1.00 14.44 H new ATOM 0 HB3 ARG A 24 10.468 -9.265 -16.094 1.00 14.44 H new ATOM 0 HG2 ARG A 24 11.845 -11.310 -17.880 1.00 53.50 H new ATOM 0 HG3 ARG A 24 11.212 -11.655 -16.282 1.00 53.50 H new ATOM 0 HD2 ARG A 24 8.936 -11.134 -16.994 1.00 41.54 H new ATOM 0 HD3 ARG A 24 9.502 -10.541 -18.543 1.00 41.54 H new ATOM 0 HE ARG A 24 10.208 -12.873 -19.083 1.00 22.51 H new ATOM 0 HH11 ARG A 24 8.044 -12.415 -16.379 1.00 42.42 H new ATOM 0 HH12 ARG A 24 7.322 -14.017 -16.564 1.00 42.42 H new ATOM 0 HH21 ARG A 24 9.259 -14.855 -19.309 1.00 1.32 H new ATOM 0 HH22 ARG A 24 7.995 -15.368 -18.187 1.00 1.32 H new ATOM 383 N ALA A 25 12.537 -6.649 -17.166 1.00 54.00 N ATOM 384 CA ALA A 25 12.718 -5.246 -16.781 1.00 31.45 C ATOM 385 C ALA A 25 12.478 -4.311 -17.975 1.00 12.43 C ATOM 386 O ALA A 25 11.823 -3.275 -17.846 1.00 0.23 O ATOM 387 CB ALA A 25 14.111 -5.030 -16.208 1.00 72.44 C ATOM 0 H ALA A 25 13.397 -7.198 -17.171 1.00 54.00 H new ATOM 0 HA ALA A 25 11.982 -5.008 -16.013 1.00 31.45 H new ATOM 0 HB1 ALA A 25 14.231 -3.984 -15.927 1.00 72.44 H new ATOM 0 HB2 ALA A 25 14.244 -5.660 -15.328 1.00 72.44 H new ATOM 0 HB3 ALA A 25 14.857 -5.292 -16.958 1.00 72.44 H new ATOM 393 N LEU A 26 13.010 -4.690 -19.137 1.00 43.34 N ATOM 394 CA LEU A 26 12.806 -3.935 -20.380 1.00 62.15 C ATOM 395 C LEU A 26 11.311 -3.707 -20.645 1.00 20.24 C ATOM 396 O LEU A 26 10.882 -2.587 -20.918 1.00 24.32 O ATOM 397 CB LEU A 26 13.448 -4.682 -21.560 1.00 35.50 C ATOM 398 CG LEU A 26 13.343 -3.986 -22.928 1.00 14.32 C ATOM 399 CD1 LEU A 26 14.043 -2.630 -22.908 1.00 13.54 C ATOM 400 CD2 LEU A 26 13.923 -4.872 -24.028 1.00 5.42 C ATOM 0 H LEU A 26 13.590 -5.522 -19.247 1.00 43.34 H new ATOM 0 HA LEU A 26 13.283 -2.961 -20.273 1.00 62.15 H new ATOM 0 HB2 LEU A 26 14.502 -4.842 -21.334 1.00 35.50 H new ATOM 0 HB3 LEU A 26 12.986 -5.666 -21.637 1.00 35.50 H new ATOM 0 HG LEU A 26 12.287 -3.818 -23.140 1.00 14.32 H new ATOM 0 HD11 LEU A 26 13.953 -2.160 -23.887 1.00 13.54 H new ATOM 0 HD12 LEU A 26 13.579 -1.992 -22.156 1.00 13.54 H new ATOM 0 HD13 LEU A 26 15.097 -2.768 -22.667 1.00 13.54 H new ATOM 0 HD21 LEU A 26 13.839 -4.362 -24.988 1.00 5.42 H new ATOM 0 HD22 LEU A 26 14.972 -5.076 -23.816 1.00 5.42 H new ATOM 0 HD23 LEU A 26 13.372 -5.811 -24.067 1.00 5.42 H new ATOM 412 N ALA A 27 10.525 -4.777 -20.536 1.00 42.54 N ATOM 413 CA ALA A 27 9.070 -4.694 -20.689 1.00 71.35 C ATOM 414 C ALA A 27 8.456 -3.676 -19.713 1.00 24.22 C ATOM 415 O ALA A 27 7.570 -2.907 -20.082 1.00 21.23 O ATOM 416 CB ALA A 27 8.442 -6.068 -20.493 1.00 31.45 C ATOM 0 H ALA A 27 10.872 -5.716 -20.341 1.00 42.54 H new ATOM 0 HA ALA A 27 8.858 -4.348 -21.701 1.00 71.35 H new ATOM 0 HB1 ALA A 27 7.361 -5.994 -20.609 1.00 31.45 H new ATOM 0 HB2 ALA A 27 8.840 -6.759 -21.236 1.00 31.45 H new ATOM 0 HB3 ALA A 27 8.675 -6.435 -19.494 1.00 31.45 H new ATOM 422 N LEU A 28 8.939 -3.673 -18.467 1.00 71.51 N ATOM 423 CA LEU A 28 8.485 -2.703 -17.461 1.00 11.10 C ATOM 424 C LEU A 28 8.810 -1.262 -17.884 1.00 51.23 C ATOM 425 O LEU A 28 7.943 -0.394 -17.850 1.00 74.11 O ATOM 426 CB LEU A 28 9.114 -3.009 -16.093 1.00 62.40 C ATOM 427 CG LEU A 28 8.571 -4.264 -15.387 1.00 21.02 C ATOM 428 CD1 LEU A 28 9.381 -4.569 -14.131 1.00 70.24 C ATOM 429 CD2 LEU A 28 7.092 -4.093 -15.039 1.00 0.54 C ATOM 0 H LEU A 28 9.643 -4.329 -18.129 1.00 71.51 H new ATOM 0 HA LEU A 28 7.402 -2.794 -17.380 1.00 11.10 H new ATOM 0 HB2 LEU A 28 10.190 -3.122 -16.223 1.00 62.40 H new ATOM 0 HB3 LEU A 28 8.961 -2.150 -15.440 1.00 62.40 H new ATOM 0 HG LEU A 28 8.668 -5.106 -16.073 1.00 21.02 H new ATOM 0 HD11 LEU A 28 8.980 -5.460 -13.647 1.00 70.24 H new ATOM 0 HD12 LEU A 28 10.423 -4.741 -14.403 1.00 70.24 H new ATOM 0 HD13 LEU A 28 9.320 -3.725 -13.444 1.00 70.24 H new ATOM 0 HD21 LEU A 28 6.729 -4.992 -14.541 1.00 0.54 H new ATOM 0 HD22 LEU A 28 6.971 -3.237 -14.376 1.00 0.54 H new ATOM 0 HD23 LEU A 28 6.520 -3.928 -15.952 1.00 0.54 H new ATOM 441 N PHE A 29 10.056 -1.014 -18.287 1.00 15.10 N ATOM 442 CA PHE A 29 10.463 0.320 -18.747 1.00 31.04 C ATOM 443 C PHE A 29 9.629 0.776 -19.957 1.00 13.30 C ATOM 444 O PHE A 29 9.110 1.894 -19.979 1.00 72.40 O ATOM 445 CB PHE A 29 11.957 0.344 -19.096 1.00 51.41 C ATOM 446 CG PHE A 29 12.872 0.293 -17.898 1.00 73.15 C ATOM 447 CD1 PHE A 29 12.966 1.380 -17.037 1.00 55.22 C ATOM 448 CD2 PHE A 29 13.646 -0.830 -17.635 1.00 14.14 C ATOM 449 CE1 PHE A 29 13.809 1.346 -15.943 1.00 52.42 C ATOM 450 CE2 PHE A 29 14.490 -0.868 -16.541 1.00 62.52 C ATOM 451 CZ PHE A 29 14.571 0.221 -15.693 1.00 23.34 C ATOM 0 H PHE A 29 10.799 -1.712 -18.306 1.00 15.10 H new ATOM 0 HA PHE A 29 10.282 1.017 -17.928 1.00 31.04 H new ATOM 0 HB2 PHE A 29 12.180 -0.502 -19.746 1.00 51.41 H new ATOM 0 HB3 PHE A 29 12.171 1.249 -19.665 1.00 51.41 H new ATOM 0 HD1 PHE A 29 12.373 2.262 -17.226 1.00 55.22 H new ATOM 0 HD2 PHE A 29 13.588 -1.684 -18.293 1.00 14.14 H new ATOM 0 HE1 PHE A 29 13.872 2.199 -15.283 1.00 52.42 H new ATOM 0 HE2 PHE A 29 15.086 -1.748 -16.349 1.00 62.52 H new ATOM 0 HZ PHE A 29 15.229 0.192 -14.837 1.00 23.34 H new ATOM 461 N GLU A 30 9.498 -0.094 -20.959 1.00 44.31 N ATOM 462 CA GLU A 30 8.669 0.201 -22.136 1.00 65.15 C ATOM 463 C GLU A 30 7.199 0.423 -21.732 1.00 32.44 C ATOM 464 O GLU A 30 6.494 1.250 -22.323 1.00 32.13 O ATOM 465 CB GLU A 30 8.780 -0.935 -23.167 1.00 74.21 C ATOM 466 CG GLU A 30 10.193 -1.128 -23.719 1.00 50.15 C ATOM 467 CD GLU A 30 10.290 -2.267 -24.726 1.00 2.34 C ATOM 468 OE1 GLU A 30 10.390 -3.436 -24.303 1.00 34.41 O ATOM 469 OE2 GLU A 30 10.271 -2.001 -25.948 1.00 63.02 O ATOM 0 H GLU A 30 9.952 -1.007 -20.983 1.00 44.31 H new ATOM 0 HA GLU A 30 9.037 1.121 -22.590 1.00 65.15 H new ATOM 0 HB2 GLU A 30 8.449 -1.866 -22.706 1.00 74.21 H new ATOM 0 HB3 GLU A 30 8.101 -0.730 -23.995 1.00 74.21 H new ATOM 0 HG2 GLU A 30 10.521 -0.203 -24.193 1.00 50.15 H new ATOM 0 HG3 GLU A 30 10.876 -1.322 -22.892 1.00 50.15 H new ATOM 476 N GLU A 31 6.752 -0.310 -20.710 1.00 64.41 N ATOM 477 CA GLU A 31 5.407 -0.136 -20.153 1.00 43.32 C ATOM 478 C GLU A 31 5.261 1.249 -19.498 1.00 51.44 C ATOM 479 O GLU A 31 4.270 1.942 -19.704 1.00 2.22 O ATOM 480 CB GLU A 31 5.109 -1.234 -19.120 1.00 45.33 C ATOM 481 CG GLU A 31 3.678 -1.219 -18.597 1.00 5.14 C ATOM 482 CD GLU A 31 3.455 -2.202 -17.459 1.00 72.41 C ATOM 483 OE1 GLU A 31 3.322 -3.417 -17.724 1.00 74.44 O ATOM 484 OE2 GLU A 31 3.410 -1.767 -16.290 1.00 63.10 O ATOM 0 H GLU A 31 7.304 -1.033 -20.249 1.00 64.41 H new ATOM 0 HA GLU A 31 4.691 -0.212 -20.971 1.00 43.32 H new ATOM 0 HB2 GLU A 31 5.311 -2.206 -19.570 1.00 45.33 H new ATOM 0 HB3 GLU A 31 5.794 -1.123 -18.279 1.00 45.33 H new ATOM 0 HG2 GLU A 31 3.432 -0.214 -18.256 1.00 5.14 H new ATOM 0 HG3 GLU A 31 2.995 -1.455 -19.413 1.00 5.14 H new ATOM 491 N LEU A 32 6.266 1.650 -18.722 1.00 44.43 N ATOM 492 CA LEU A 32 6.259 2.960 -18.056 1.00 45.10 C ATOM 493 C LEU A 32 6.109 4.107 -19.069 1.00 35.04 C ATOM 494 O LEU A 32 5.464 5.114 -18.787 1.00 13.02 O ATOM 495 CB LEU A 32 7.545 3.146 -17.238 1.00 12.42 C ATOM 496 CG LEU A 32 7.740 2.153 -16.078 1.00 44.01 C ATOM 497 CD1 LEU A 32 9.074 2.394 -15.370 1.00 2.32 C ATOM 498 CD2 LEU A 32 6.578 2.247 -15.094 1.00 24.23 C ATOM 0 H LEU A 32 7.098 1.090 -18.536 1.00 44.43 H new ATOM 0 HA LEU A 32 5.399 2.988 -17.387 1.00 45.10 H new ATOM 0 HB2 LEU A 32 8.398 3.064 -17.911 1.00 12.42 H new ATOM 0 HB3 LEU A 32 7.554 4.158 -16.833 1.00 12.42 H new ATOM 0 HG LEU A 32 7.759 1.145 -16.491 1.00 44.01 H new ATOM 0 HD11 LEU A 32 9.187 1.680 -14.555 1.00 2.32 H new ATOM 0 HD12 LEU A 32 9.891 2.267 -16.080 1.00 2.32 H new ATOM 0 HD13 LEU A 32 9.096 3.408 -14.970 1.00 2.32 H new ATOM 0 HD21 LEU A 32 6.732 1.538 -14.280 1.00 24.23 H new ATOM 0 HD22 LEU A 32 6.525 3.258 -14.690 1.00 24.23 H new ATOM 0 HD23 LEU A 32 5.646 2.012 -15.608 1.00 24.23 H new ATOM 510 N VAL A 33 6.702 3.942 -20.250 1.00 73.10 N ATOM 511 CA VAL A 33 6.595 4.946 -21.318 1.00 32.41 C ATOM 512 C VAL A 33 5.148 5.083 -21.826 1.00 74.20 C ATOM 513 O VAL A 33 4.677 6.188 -22.095 1.00 21.34 O ATOM 514 CB VAL A 33 7.524 4.601 -22.511 1.00 42.13 C ATOM 515 CG1 VAL A 33 7.398 5.642 -23.625 1.00 44.10 C ATOM 516 CG2 VAL A 33 8.973 4.482 -22.046 1.00 71.31 C ATOM 0 H VAL A 33 7.262 3.125 -20.496 1.00 73.10 H new ATOM 0 HA VAL A 33 6.907 5.896 -20.885 1.00 32.41 H new ATOM 0 HB VAL A 33 7.211 3.638 -22.915 1.00 42.13 H new ATOM 0 HG11 VAL A 33 8.060 5.375 -24.449 1.00 44.10 H new ATOM 0 HG12 VAL A 33 6.368 5.670 -23.982 1.00 44.10 H new ATOM 0 HG13 VAL A 33 7.676 6.623 -23.239 1.00 44.10 H new ATOM 0 HG21 VAL A 33 9.609 4.240 -22.897 1.00 71.31 H new ATOM 0 HG22 VAL A 33 9.294 5.428 -21.611 1.00 71.31 H new ATOM 0 HG23 VAL A 33 9.051 3.693 -21.298 1.00 71.31 H new ATOM 526 N GLU A 34 4.441 3.958 -21.953 1.00 11.20 N ATOM 527 CA GLU A 34 3.060 3.974 -22.459 1.00 52.44 C ATOM 528 C GLU A 34 2.053 4.352 -21.359 1.00 74.01 C ATOM 529 O GLU A 34 0.991 4.908 -21.645 1.00 4.23 O ATOM 530 CB GLU A 34 2.686 2.611 -23.075 1.00 60.54 C ATOM 531 CG GLU A 34 2.669 1.454 -22.079 1.00 63.12 C ATOM 532 CD GLU A 34 2.320 0.117 -22.717 1.00 24.50 C ATOM 533 OE1 GLU A 34 1.128 -0.113 -23.009 1.00 22.33 O ATOM 534 OE2 GLU A 34 3.233 -0.711 -22.930 1.00 61.31 O ATOM 0 H GLU A 34 4.794 3.031 -21.716 1.00 11.20 H new ATOM 0 HA GLU A 34 3.011 4.738 -23.235 1.00 52.44 H new ATOM 0 HB2 GLU A 34 1.702 2.692 -23.537 1.00 60.54 H new ATOM 0 HB3 GLU A 34 3.393 2.379 -23.871 1.00 60.54 H new ATOM 0 HG2 GLU A 34 3.647 1.378 -21.604 1.00 63.12 H new ATOM 0 HG3 GLU A 34 1.948 1.672 -21.291 1.00 63.12 H new ATOM 541 N THR A 35 2.388 4.050 -20.104 1.00 74.43 N ATOM 542 CA THR A 35 1.494 4.338 -18.967 1.00 15.12 C ATOM 543 C THR A 35 1.758 5.722 -18.350 1.00 34.33 C ATOM 544 O THR A 35 0.842 6.539 -18.216 1.00 23.54 O ATOM 545 CB THR A 35 1.636 3.277 -17.850 1.00 64.15 C ATOM 546 OG1 THR A 35 2.968 3.301 -17.310 1.00 52.14 O ATOM 547 CG2 THR A 35 1.320 1.878 -18.374 1.00 42.02 C ATOM 0 H THR A 35 3.269 3.607 -19.843 1.00 74.43 H new ATOM 0 HA THR A 35 0.484 4.316 -19.376 1.00 15.12 H new ATOM 0 HB THR A 35 0.921 3.520 -17.064 1.00 64.15 H new ATOM 0 HG1 THR A 35 2.988 3.873 -16.514 1.00 52.14 H new ATOM 0 HG21 THR A 35 1.428 1.154 -17.566 1.00 42.02 H new ATOM 0 HG22 THR A 35 0.297 1.853 -18.749 1.00 42.02 H new ATOM 0 HG23 THR A 35 2.009 1.627 -19.181 1.00 42.02 H new ATOM 555 N ASP A 36 3.009 5.976 -17.965 1.00 41.33 N ATOM 556 CA ASP A 36 3.390 7.228 -17.293 1.00 64.40 C ATOM 557 C ASP A 36 4.530 7.964 -18.029 1.00 22.31 C ATOM 558 O ASP A 36 5.689 7.910 -17.606 1.00 25.22 O ATOM 559 CB ASP A 36 3.816 6.928 -15.850 1.00 22.31 C ATOM 560 CG ASP A 36 2.694 6.328 -15.023 1.00 0.32 C ATOM 561 OD1 ASP A 36 2.557 5.087 -14.998 1.00 43.15 O ATOM 562 OD2 ASP A 36 1.942 7.097 -14.388 1.00 53.31 O ATOM 0 H ASP A 36 3.784 5.328 -18.107 1.00 41.33 H new ATOM 0 HA ASP A 36 2.519 7.883 -17.301 1.00 64.40 H new ATOM 0 HB2 ASP A 36 4.662 6.241 -15.860 1.00 22.31 H new ATOM 0 HB3 ASP A 36 4.159 7.849 -15.377 1.00 22.31 H new ATOM 567 N PRO A 37 4.222 8.673 -19.137 1.00 13.42 N ATOM 568 CA PRO A 37 5.241 9.413 -19.911 1.00 10.43 C ATOM 569 C PRO A 37 5.883 10.566 -19.113 1.00 11.13 C ATOM 570 O PRO A 37 6.966 11.044 -19.461 1.00 33.24 O ATOM 571 CB PRO A 37 4.461 9.959 -21.122 1.00 23.52 C ATOM 572 CG PRO A 37 3.187 9.177 -21.160 1.00 3.41 C ATOM 573 CD PRO A 37 2.883 8.805 -19.734 1.00 4.15 C ATOM 0 HA PRO A 37 6.076 8.768 -20.184 1.00 10.43 H new ATOM 0 HB2 PRO A 37 4.264 11.026 -21.014 1.00 23.52 H new ATOM 0 HB3 PRO A 37 5.028 9.831 -22.044 1.00 23.52 H new ATOM 0 HG2 PRO A 37 2.379 9.769 -21.589 1.00 3.41 H new ATOM 0 HG3 PRO A 37 3.294 8.287 -21.781 1.00 3.41 H new ATOM 0 HD2 PRO A 37 2.291 9.572 -19.234 1.00 4.15 H new ATOM 0 HD3 PRO A 37 2.319 7.875 -19.671 1.00 4.15 H new ATOM 581 N ASP A 38 5.205 11.009 -18.049 1.00 41.31 N ATOM 582 CA ASP A 38 5.732 12.056 -17.161 1.00 41.32 C ATOM 583 C ASP A 38 6.997 11.593 -16.416 1.00 50.34 C ATOM 584 O ASP A 38 7.855 12.405 -16.059 1.00 64.53 O ATOM 585 CB ASP A 38 4.666 12.467 -16.133 1.00 61.20 C ATOM 586 CG ASP A 38 3.420 13.045 -16.777 1.00 13.33 C ATOM 587 OD1 ASP A 38 2.555 12.262 -17.221 1.00 0.21 O ATOM 588 OD2 ASP A 38 3.299 14.286 -16.846 1.00 71.54 O ATOM 0 H ASP A 38 4.286 10.658 -17.779 1.00 41.31 H new ATOM 0 HA ASP A 38 5.995 12.908 -17.788 1.00 41.32 H new ATOM 0 HB2 ASP A 38 4.391 11.598 -15.535 1.00 61.20 H new ATOM 0 HB3 ASP A 38 5.091 13.203 -15.450 1.00 61.20 H new ATOM 593 N TYR A 39 7.110 10.288 -16.181 1.00 72.43 N ATOM 594 CA TYR A 39 8.223 9.741 -15.401 1.00 0.52 C ATOM 595 C TYR A 39 9.497 9.650 -16.261 1.00 13.34 C ATOM 596 O TYR A 39 9.782 8.619 -16.875 1.00 20.53 O ATOM 597 CB TYR A 39 7.839 8.365 -14.831 1.00 24.13 C ATOM 598 CG TYR A 39 8.647 7.956 -13.614 1.00 11.40 C ATOM 599 CD1 TYR A 39 8.544 8.673 -12.428 1.00 35.11 C ATOM 600 CD2 TYR A 39 9.499 6.858 -13.644 1.00 15.40 C ATOM 601 CE1 TYR A 39 9.264 8.310 -11.307 1.00 75.51 C ATOM 602 CE2 TYR A 39 10.223 6.491 -12.528 1.00 24.41 C ATOM 603 CZ TYR A 39 10.104 7.219 -11.362 1.00 61.31 C ATOM 604 OH TYR A 39 10.821 6.850 -10.247 1.00 74.44 O ATOM 0 H TYR A 39 6.448 9.589 -16.518 1.00 72.43 H new ATOM 0 HA TYR A 39 8.433 10.412 -14.568 1.00 0.52 H new ATOM 0 HB2 TYR A 39 6.782 8.375 -14.566 1.00 24.13 H new ATOM 0 HB3 TYR A 39 7.966 7.612 -15.609 1.00 24.13 H new ATOM 0 HD1 TYR A 39 7.889 9.530 -12.382 1.00 35.11 H new ATOM 0 HD2 TYR A 39 9.596 6.284 -14.554 1.00 15.40 H new ATOM 0 HE1 TYR A 39 9.169 8.878 -10.393 1.00 75.51 H new ATOM 0 HE2 TYR A 39 10.881 5.636 -12.567 1.00 24.41 H new ATOM 0 HH TYR A 39 11.289 6.007 -10.423 1.00 74.44 H new ATOM 614 N VAL A 40 10.250 10.751 -16.309 1.00 50.20 N ATOM 615 CA VAL A 40 11.433 10.860 -17.175 1.00 14.52 C ATOM 616 C VAL A 40 12.536 9.855 -16.792 1.00 55.10 C ATOM 617 O VAL A 40 13.285 9.385 -17.656 1.00 73.41 O ATOM 618 CB VAL A 40 12.012 12.298 -17.148 1.00 3.35 C ATOM 619 CG1 VAL A 40 13.188 12.434 -18.115 1.00 61.14 C ATOM 620 CG2 VAL A 40 10.923 13.322 -17.470 1.00 54.41 C ATOM 0 H VAL A 40 10.062 11.587 -15.755 1.00 50.20 H new ATOM 0 HA VAL A 40 11.097 10.623 -18.184 1.00 14.52 H new ATOM 0 HB VAL A 40 12.382 12.495 -16.142 1.00 3.35 H new ATOM 0 HG11 VAL A 40 13.575 13.452 -18.076 1.00 61.14 H new ATOM 0 HG12 VAL A 40 13.975 11.735 -17.831 1.00 61.14 H new ATOM 0 HG13 VAL A 40 12.853 12.211 -19.128 1.00 61.14 H new ATOM 0 HG21 VAL A 40 11.348 14.325 -17.446 1.00 54.41 H new ATOM 0 HG22 VAL A 40 10.518 13.123 -18.462 1.00 54.41 H new ATOM 0 HG23 VAL A 40 10.125 13.249 -16.731 1.00 54.41 H new ATOM 630 N GLY A 41 12.622 9.519 -15.503 1.00 15.31 N ATOM 631 CA GLY A 41 13.606 8.542 -15.036 1.00 55.23 C ATOM 632 C GLY A 41 13.577 7.234 -15.830 1.00 22.21 C ATOM 633 O GLY A 41 14.609 6.573 -16.009 1.00 3.33 O ATOM 0 H GLY A 41 12.027 9.906 -14.770 1.00 15.31 H new ATOM 0 HA2 GLY A 41 14.603 8.979 -15.103 1.00 55.23 H new ATOM 0 HA3 GLY A 41 13.423 8.325 -13.984 1.00 55.23 H new ATOM 637 N THR A 42 12.389 6.870 -16.314 1.00 1.25 N ATOM 638 CA THR A 42 12.212 5.685 -17.161 1.00 61.13 C ATOM 639 C THR A 42 13.090 5.753 -18.416 1.00 54.12 C ATOM 640 O THR A 42 13.854 4.833 -18.703 1.00 74.33 O ATOM 641 CB THR A 42 10.740 5.530 -17.611 1.00 33.24 C ATOM 642 OG1 THR A 42 9.878 5.408 -16.470 1.00 13.25 O ATOM 643 CG2 THR A 42 10.567 4.316 -18.518 1.00 30.02 C ATOM 0 H THR A 42 11.526 7.383 -16.133 1.00 1.25 H new ATOM 0 HA THR A 42 12.506 4.828 -16.555 1.00 61.13 H new ATOM 0 HB THR A 42 10.468 6.423 -18.173 1.00 33.24 H new ATOM 0 HG1 THR A 42 8.997 5.780 -16.684 1.00 13.25 H new ATOM 0 HG21 THR A 42 9.523 4.232 -18.819 1.00 30.02 H new ATOM 0 HG22 THR A 42 11.191 4.432 -19.404 1.00 30.02 H new ATOM 0 HG23 THR A 42 10.863 3.415 -17.981 1.00 30.02 H new ATOM 651 N TYR A 43 12.984 6.862 -19.148 1.00 11.31 N ATOM 652 CA TYR A 43 13.681 7.029 -20.431 1.00 44.23 C ATOM 653 C TYR A 43 15.202 6.900 -20.280 1.00 41.54 C ATOM 654 O TYR A 43 15.863 6.270 -21.107 1.00 51.45 O ATOM 655 CB TYR A 43 13.339 8.393 -21.041 1.00 0.31 C ATOM 656 CG TYR A 43 11.856 8.602 -21.287 1.00 73.30 C ATOM 657 CD1 TYR A 43 11.025 9.075 -20.278 1.00 45.01 C ATOM 658 CD2 TYR A 43 11.291 8.333 -22.527 1.00 33.33 C ATOM 659 CE1 TYR A 43 9.676 9.272 -20.497 1.00 11.52 C ATOM 660 CE2 TYR A 43 9.942 8.527 -22.752 1.00 12.31 C ATOM 661 CZ TYR A 43 9.140 8.997 -21.734 1.00 1.55 C ATOM 662 OH TYR A 43 7.800 9.201 -21.958 1.00 30.20 O ATOM 0 H TYR A 43 12.419 7.666 -18.875 1.00 11.31 H new ATOM 0 HA TYR A 43 13.342 6.231 -21.092 1.00 44.23 H new ATOM 0 HB2 TYR A 43 13.701 9.178 -20.377 1.00 0.31 H new ATOM 0 HB3 TYR A 43 13.873 8.502 -21.985 1.00 0.31 H new ATOM 0 HD1 TYR A 43 11.442 9.292 -19.306 1.00 45.01 H new ATOM 0 HD2 TYR A 43 11.916 7.966 -23.328 1.00 33.33 H new ATOM 0 HE1 TYR A 43 9.045 9.640 -19.702 1.00 11.52 H new ATOM 0 HE2 TYR A 43 9.517 8.311 -23.721 1.00 12.31 H new ATOM 0 HH TYR A 43 7.474 9.913 -21.368 1.00 30.20 H new ATOM 672 N TYR A 44 15.746 7.502 -19.222 1.00 44.42 N ATOM 673 CA TYR A 44 17.190 7.462 -18.966 1.00 51.14 C ATOM 674 C TYR A 44 17.695 6.017 -18.835 1.00 22.52 C ATOM 675 O TYR A 44 18.603 5.600 -19.552 1.00 72.34 O ATOM 676 CB TYR A 44 17.536 8.262 -17.698 1.00 72.14 C ATOM 677 CG TYR A 44 19.026 8.324 -17.400 1.00 20.23 C ATOM 678 CD1 TYR A 44 19.854 9.222 -18.069 1.00 1.00 C ATOM 679 CD2 TYR A 44 19.602 7.485 -16.451 1.00 53.41 C ATOM 680 CE1 TYR A 44 21.209 9.277 -17.802 1.00 2.42 C ATOM 681 CE2 TYR A 44 20.954 7.536 -16.180 1.00 12.14 C ATOM 682 CZ TYR A 44 21.753 8.434 -16.857 1.00 54.44 C ATOM 683 OH TYR A 44 23.103 8.486 -16.587 1.00 75.30 O ATOM 0 H TYR A 44 15.211 8.023 -18.528 1.00 44.42 H new ATOM 0 HA TYR A 44 17.690 7.919 -19.820 1.00 51.14 H new ATOM 0 HB2 TYR A 44 17.153 9.277 -17.804 1.00 72.14 H new ATOM 0 HB3 TYR A 44 17.023 7.815 -16.846 1.00 72.14 H new ATOM 0 HD1 TYR A 44 19.431 9.886 -18.808 1.00 1.00 H new ATOM 0 HD2 TYR A 44 18.980 6.782 -15.917 1.00 53.41 H new ATOM 0 HE1 TYR A 44 21.838 9.977 -18.331 1.00 2.42 H new ATOM 0 HE2 TYR A 44 21.385 6.876 -15.441 1.00 12.14 H new ATOM 0 HH TYR A 44 23.324 7.827 -15.896 1.00 75.30 H new ATOM 693 N HIS A 45 17.095 5.251 -17.929 1.00 21.22 N ATOM 694 CA HIS A 45 17.520 3.864 -17.699 1.00 44.24 C ATOM 695 C HIS A 45 17.105 2.933 -18.853 1.00 54.34 C ATOM 696 O HIS A 45 17.777 1.936 -19.124 1.00 72.24 O ATOM 697 CB HIS A 45 16.971 3.354 -16.363 1.00 63.14 C ATOM 698 CG HIS A 45 17.565 4.055 -15.178 1.00 5.42 C ATOM 699 ND1 HIS A 45 18.554 3.506 -14.391 1.00 13.12 N ATOM 700 CD2 HIS A 45 17.306 5.273 -14.648 1.00 70.25 C ATOM 701 CE1 HIS A 45 18.874 4.352 -13.432 1.00 21.20 C ATOM 702 NE2 HIS A 45 18.134 5.431 -13.564 1.00 64.44 N ATOM 0 H HIS A 45 16.319 5.559 -17.344 1.00 21.22 H new ATOM 0 HA HIS A 45 18.609 3.856 -17.659 1.00 44.24 H new ATOM 0 HB2 HIS A 45 15.889 3.482 -16.349 1.00 63.14 H new ATOM 0 HB3 HIS A 45 17.166 2.285 -16.281 1.00 63.14 H new ATOM 0 HD2 HIS A 45 16.582 5.988 -15.010 1.00 70.25 H new ATOM 0 HE1 HIS A 45 19.618 4.187 -12.667 1.00 21.20 H new ATOM 0 HE2 HIS A 45 18.169 6.252 -12.959 1.00 64.44 H new ATOM 711 N LEU A 46 16.002 3.260 -19.525 1.00 74.53 N ATOM 712 CA LEU A 46 15.545 2.490 -20.690 1.00 60.33 C ATOM 713 C LEU A 46 16.582 2.547 -21.825 1.00 44.42 C ATOM 714 O LEU A 46 16.945 1.518 -22.401 1.00 35.20 O ATOM 715 CB LEU A 46 14.186 3.023 -21.176 1.00 4.14 C ATOM 716 CG LEU A 46 13.617 2.349 -22.438 1.00 70.51 C ATOM 717 CD1 LEU A 46 13.443 0.847 -22.225 1.00 43.14 C ATOM 718 CD2 LEU A 46 12.293 2.996 -22.845 1.00 75.34 C ATOM 0 H LEU A 46 15.406 4.052 -19.286 1.00 74.53 H new ATOM 0 HA LEU A 46 15.428 1.448 -20.391 1.00 60.33 H new ATOM 0 HB2 LEU A 46 13.462 2.910 -20.369 1.00 4.14 H new ATOM 0 HB3 LEU A 46 14.284 4.091 -21.370 1.00 4.14 H new ATOM 0 HG LEU A 46 14.331 2.493 -23.249 1.00 70.51 H new ATOM 0 HD11 LEU A 46 13.040 0.395 -23.131 1.00 43.14 H new ATOM 0 HD12 LEU A 46 14.409 0.398 -21.995 1.00 43.14 H new ATOM 0 HD13 LEU A 46 12.756 0.674 -21.397 1.00 43.14 H new ATOM 0 HD21 LEU A 46 11.908 2.505 -23.739 1.00 75.34 H new ATOM 0 HD22 LEU A 46 11.572 2.891 -22.034 1.00 75.34 H new ATOM 0 HD23 LEU A 46 12.454 4.054 -23.053 1.00 75.34 H new ATOM 730 N GLY A 47 17.058 3.753 -22.134 1.00 12.24 N ATOM 731 CA GLY A 47 18.110 3.913 -23.133 1.00 63.41 C ATOM 732 C GLY A 47 19.397 3.188 -22.744 1.00 50.40 C ATOM 733 O GLY A 47 20.004 2.493 -23.562 1.00 12.51 O ATOM 0 H GLY A 47 16.735 4.623 -21.711 1.00 12.24 H new ATOM 0 HA2 GLY A 47 17.758 3.533 -24.092 1.00 63.41 H new ATOM 0 HA3 GLY A 47 18.320 4.974 -23.268 1.00 63.41 H new ATOM 737 N LYS A 48 19.803 3.347 -21.483 1.00 4.22 N ATOM 738 CA LYS A 48 20.969 2.639 -20.939 1.00 44.43 C ATOM 739 C LYS A 48 20.812 1.116 -21.081 1.00 45.25 C ATOM 740 O LYS A 48 21.788 0.396 -21.310 1.00 13.11 O ATOM 741 CB LYS A 48 21.164 3.007 -19.459 1.00 32.23 C ATOM 742 CG LYS A 48 21.393 4.498 -19.218 1.00 63.12 C ATOM 743 CD LYS A 48 22.742 4.979 -19.756 1.00 34.52 C ATOM 744 CE LYS A 48 23.883 4.740 -18.765 1.00 11.00 C ATOM 745 NZ LYS A 48 24.044 3.304 -18.400 1.00 0.22 N ATOM 0 H LYS A 48 19.340 3.963 -20.814 1.00 4.22 H new ATOM 0 HA LYS A 48 21.846 2.946 -21.509 1.00 44.43 H new ATOM 0 HB2 LYS A 48 20.286 2.688 -18.897 1.00 32.23 H new ATOM 0 HB3 LYS A 48 22.014 2.450 -19.065 1.00 32.23 H new ATOM 0 HG2 LYS A 48 20.593 5.066 -19.692 1.00 63.12 H new ATOM 0 HG3 LYS A 48 21.338 4.702 -18.149 1.00 63.12 H new ATOM 0 HD2 LYS A 48 22.962 4.463 -20.691 1.00 34.52 H new ATOM 0 HD3 LYS A 48 22.680 6.043 -19.985 1.00 34.52 H new ATOM 0 HE2 LYS A 48 24.815 5.107 -19.196 1.00 11.00 H new ATOM 0 HE3 LYS A 48 23.700 5.321 -17.861 1.00 11.00 H new ATOM 0 HZ1 LYS A 48 24.973 3.161 -17.956 1.00 0.22 H new ATOM 0 HZ2 LYS A 48 23.295 3.029 -17.733 1.00 0.22 H new ATOM 0 HZ3 LYS A 48 23.976 2.718 -19.257 1.00 0.22 H new ATOM 759 N LEU A 49 19.579 0.631 -20.942 1.00 55.30 N ATOM 760 CA LEU A 49 19.286 -0.795 -21.101 1.00 44.12 C ATOM 761 C LEU A 49 19.405 -1.217 -22.574 1.00 3.52 C ATOM 762 O LEU A 49 19.918 -2.294 -22.878 1.00 33.22 O ATOM 763 CB LEU A 49 17.887 -1.114 -20.544 1.00 72.03 C ATOM 764 CG LEU A 49 17.474 -2.599 -20.575 1.00 52.54 C ATOM 765 CD1 LEU A 49 18.542 -3.477 -19.923 1.00 24.20 C ATOM 766 CD2 LEU A 49 16.129 -2.793 -19.879 1.00 62.10 C ATOM 0 H LEU A 49 18.765 1.204 -20.719 1.00 55.30 H new ATOM 0 HA LEU A 49 20.020 -1.367 -20.534 1.00 44.12 H new ATOM 0 HB2 LEU A 49 17.839 -0.765 -19.513 1.00 72.03 H new ATOM 0 HB3 LEU A 49 17.152 -0.540 -21.109 1.00 72.03 H new ATOM 0 HG LEU A 49 17.375 -2.901 -21.618 1.00 52.54 H new ATOM 0 HD11 LEU A 49 18.227 -4.520 -19.958 1.00 24.20 H new ATOM 0 HD12 LEU A 49 19.483 -3.365 -20.461 1.00 24.20 H new ATOM 0 HD13 LEU A 49 18.679 -3.174 -18.885 1.00 24.20 H new ATOM 0 HD21 LEU A 49 15.852 -3.847 -19.910 1.00 62.10 H new ATOM 0 HD22 LEU A 49 16.206 -2.468 -18.841 1.00 62.10 H new ATOM 0 HD23 LEU A 49 15.367 -2.203 -20.388 1.00 62.10 H new ATOM 778 N TYR A 50 18.948 -0.361 -23.488 1.00 41.44 N ATOM 779 CA TYR A 50 19.134 -0.607 -24.923 1.00 34.41 C ATOM 780 C TYR A 50 20.627 -0.689 -25.277 1.00 53.32 C ATOM 781 O TYR A 50 21.048 -1.582 -26.013 1.00 35.14 O ATOM 782 CB TYR A 50 18.451 0.478 -25.765 1.00 1.52 C ATOM 783 CG TYR A 50 16.937 0.371 -25.796 1.00 15.45 C ATOM 784 CD1 TYR A 50 16.313 -0.845 -26.055 1.00 74.24 C ATOM 785 CD2 TYR A 50 16.133 1.483 -25.571 1.00 20.13 C ATOM 786 CE1 TYR A 50 14.938 -0.949 -26.088 1.00 25.13 C ATOM 787 CE2 TYR A 50 14.757 1.385 -25.603 1.00 2.14 C ATOM 788 CZ TYR A 50 14.165 0.169 -25.861 1.00 11.43 C ATOM 789 OH TYR A 50 12.793 0.073 -25.896 1.00 24.31 O ATOM 0 H TYR A 50 18.451 0.502 -23.266 1.00 41.44 H new ATOM 0 HA TYR A 50 18.668 -1.565 -25.154 1.00 34.41 H new ATOM 0 HB2 TYR A 50 18.728 1.457 -25.373 1.00 1.52 H new ATOM 0 HB3 TYR A 50 18.830 0.424 -26.786 1.00 1.52 H new ATOM 0 HD1 TYR A 50 16.916 -1.723 -26.233 1.00 74.24 H new ATOM 0 HD2 TYR A 50 16.593 2.439 -25.368 1.00 20.13 H new ATOM 0 HE1 TYR A 50 14.470 -1.901 -26.291 1.00 25.13 H new ATOM 0 HE2 TYR A 50 14.147 2.259 -25.426 1.00 2.14 H new ATOM 0 HH TYR A 50 12.399 0.952 -25.714 1.00 24.31 H new ATOM 799 N GLU A 51 21.419 0.241 -24.741 1.00 42.15 N ATOM 800 CA GLU A 51 22.880 0.196 -24.884 1.00 15.12 C ATOM 801 C GLU A 51 23.442 -1.148 -24.383 1.00 45.23 C ATOM 802 O GLU A 51 24.378 -1.704 -24.961 1.00 24.15 O ATOM 803 CB GLU A 51 23.528 1.353 -24.108 1.00 21.15 C ATOM 804 CG GLU A 51 23.199 2.739 -24.656 1.00 5.31 C ATOM 805 CD GLU A 51 23.868 3.854 -23.863 1.00 65.13 C ATOM 806 OE1 GLU A 51 25.119 3.872 -23.790 1.00 34.42 O ATOM 807 OE2 GLU A 51 23.159 4.711 -23.291 1.00 1.33 O ATOM 0 H GLU A 51 21.075 1.036 -24.203 1.00 42.15 H new ATOM 0 HA GLU A 51 23.118 0.297 -25.943 1.00 15.12 H new ATOM 0 HB2 GLU A 51 23.208 1.301 -23.067 1.00 21.15 H new ATOM 0 HB3 GLU A 51 24.610 1.219 -24.116 1.00 21.15 H new ATOM 0 HG2 GLU A 51 23.515 2.799 -25.698 1.00 5.31 H new ATOM 0 HG3 GLU A 51 22.119 2.885 -24.641 1.00 5.31 H new ATOM 814 N ARG A 52 22.855 -1.668 -23.303 1.00 33.32 N ATOM 815 CA ARG A 52 23.250 -2.970 -22.751 1.00 72.13 C ATOM 816 C ARG A 52 22.867 -4.114 -23.706 1.00 13.05 C ATOM 817 O ARG A 52 23.534 -5.149 -23.757 1.00 65.40 O ATOM 818 CB ARG A 52 22.587 -3.191 -21.380 1.00 62.11 C ATOM 819 CG ARG A 52 23.114 -4.414 -20.630 1.00 21.23 C ATOM 820 CD ARG A 52 22.332 -4.678 -19.345 1.00 42.44 C ATOM 821 NE ARG A 52 23.002 -5.657 -18.487 1.00 2.32 N ATOM 822 CZ ARG A 52 22.391 -6.525 -17.723 1.00 4.13 C ATOM 823 NH1 ARG A 52 21.103 -6.652 -17.754 1.00 64.42 N ATOM 824 NH2 ARG A 52 23.083 -7.288 -16.944 1.00 64.31 N ATOM 0 H ARG A 52 22.103 -1.208 -22.791 1.00 33.32 H new ATOM 0 HA ARG A 52 24.333 -2.970 -22.630 1.00 72.13 H new ATOM 0 HB2 ARG A 52 22.742 -2.305 -20.765 1.00 62.11 H new ATOM 0 HB3 ARG A 52 21.511 -3.298 -21.520 1.00 62.11 H new ATOM 0 HG2 ARG A 52 23.055 -5.289 -21.277 1.00 21.23 H new ATOM 0 HG3 ARG A 52 24.167 -4.266 -20.390 1.00 21.23 H new ATOM 0 HD2 ARG A 52 22.206 -3.743 -18.799 1.00 42.44 H new ATOM 0 HD3 ARG A 52 21.334 -5.038 -19.595 1.00 42.44 H new ATOM 0 HE ARG A 52 24.022 -5.663 -18.485 1.00 2.32 H new ATOM 0 HH11 ARG A 52 20.548 -6.070 -18.381 1.00 64.42 H new ATOM 0 HH12 ARG A 52 20.643 -7.334 -17.151 1.00 64.42 H new ATOM 0 HH21 ARG A 52 24.100 -7.212 -16.927 1.00 64.31 H new ATOM 0 HH22 ARG A 52 22.613 -7.967 -16.346 1.00 64.31 H new ATOM 838 N LEU A 53 21.785 -3.915 -24.459 1.00 1.32 N ATOM 839 CA LEU A 53 21.292 -4.916 -25.416 1.00 54.50 C ATOM 840 C LEU A 53 21.784 -4.634 -26.850 1.00 42.42 C ATOM 841 O LEU A 53 21.247 -5.192 -27.814 1.00 53.20 O ATOM 842 CB LEU A 53 19.756 -4.946 -25.392 1.00 44.44 C ATOM 843 CG LEU A 53 19.125 -5.303 -24.036 1.00 23.25 C ATOM 844 CD1 LEU A 53 17.603 -5.208 -24.106 1.00 4.21 C ATOM 845 CD2 LEU A 53 19.560 -6.698 -23.589 1.00 14.10 C ATOM 0 H LEU A 53 21.226 -3.062 -24.426 1.00 1.32 H new ATOM 0 HA LEU A 53 21.688 -5.885 -25.114 1.00 54.50 H new ATOM 0 HB2 LEU A 53 19.385 -3.968 -25.700 1.00 44.44 H new ATOM 0 HB3 LEU A 53 19.412 -5.666 -26.135 1.00 44.44 H new ATOM 0 HG LEU A 53 19.476 -4.583 -23.297 1.00 23.25 H new ATOM 0 HD11 LEU A 53 17.177 -5.465 -23.136 1.00 4.21 H new ATOM 0 HD12 LEU A 53 17.314 -4.191 -24.372 1.00 4.21 H new ATOM 0 HD13 LEU A 53 17.230 -5.900 -24.861 1.00 4.21 H new ATOM 0 HD21 LEU A 53 19.103 -6.931 -22.628 1.00 14.10 H new ATOM 0 HD22 LEU A 53 19.243 -7.433 -24.329 1.00 14.10 H new ATOM 0 HD23 LEU A 53 20.645 -6.727 -23.491 1.00 14.10 H new ATOM 857 N ASP A 54 22.791 -3.758 -26.982 1.00 1.22 N ATOM 858 CA ASP A 54 23.405 -3.430 -28.286 1.00 73.31 C ATOM 859 C ASP A 54 22.493 -2.538 -29.163 1.00 4.34 C ATOM 860 O ASP A 54 22.882 -2.108 -30.252 1.00 55.31 O ATOM 861 CB ASP A 54 23.802 -4.729 -29.019 1.00 3.53 C ATOM 862 CG ASP A 54 24.320 -4.493 -30.426 1.00 41.20 C ATOM 863 OD1 ASP A 54 25.491 -4.083 -30.577 1.00 10.03 O ATOM 864 OD2 ASP A 54 23.550 -4.708 -31.389 1.00 41.40 O ATOM 0 H ASP A 54 23.204 -3.257 -26.195 1.00 1.22 H new ATOM 0 HA ASP A 54 24.304 -2.844 -28.094 1.00 73.31 H new ATOM 0 HB2 ASP A 54 24.568 -5.245 -28.440 1.00 3.53 H new ATOM 0 HB3 ASP A 54 22.937 -5.391 -29.064 1.00 3.53 H new ATOM 869 N ARG A 55 21.299 -2.223 -28.669 1.00 72.12 N ATOM 870 CA ARG A 55 20.334 -1.417 -29.428 1.00 62.24 C ATOM 871 C ARG A 55 20.717 0.079 -29.418 1.00 23.21 C ATOM 872 O ARG A 55 20.064 0.897 -28.763 1.00 21.21 O ATOM 873 CB ARG A 55 18.922 -1.615 -28.851 1.00 5.14 C ATOM 874 CG ARG A 55 18.474 -3.075 -28.792 1.00 64.44 C ATOM 875 CD ARG A 55 18.282 -3.681 -30.179 1.00 14.14 C ATOM 876 NE ARG A 55 17.218 -3.010 -30.928 1.00 51.03 N ATOM 877 CZ ARG A 55 16.277 -3.623 -31.597 1.00 53.13 C ATOM 878 NH1 ARG A 55 16.243 -4.917 -31.670 1.00 70.24 N ATOM 879 NH2 ARG A 55 15.366 -2.930 -32.198 1.00 5.10 N ATOM 0 H ARG A 55 20.972 -2.511 -27.747 1.00 72.12 H new ATOM 0 HA ARG A 55 20.349 -1.753 -30.465 1.00 62.24 H new ATOM 0 HB2 ARG A 55 18.889 -1.195 -27.846 1.00 5.14 H new ATOM 0 HB3 ARG A 55 18.211 -1.052 -29.456 1.00 5.14 H new ATOM 0 HG2 ARG A 55 19.214 -3.657 -28.243 1.00 64.44 H new ATOM 0 HG3 ARG A 55 17.539 -3.143 -28.236 1.00 64.44 H new ATOM 0 HD2 ARG A 55 19.216 -3.613 -30.737 1.00 14.14 H new ATOM 0 HD3 ARG A 55 18.045 -4.740 -30.082 1.00 14.14 H new ATOM 0 HE ARG A 55 17.210 -1.990 -30.928 1.00 51.03 H new ATOM 0 HH11 ARG A 55 16.958 -5.473 -31.201 1.00 70.24 H new ATOM 0 HH12 ARG A 55 15.501 -5.379 -32.196 1.00 70.24 H new ATOM 0 HH21 ARG A 55 15.384 -1.911 -32.148 1.00 5.10 H new ATOM 0 HH22 ARG A 55 14.629 -3.402 -32.722 1.00 5.10 H new ATOM 893 N THR A 56 21.782 0.425 -30.146 1.00 53.35 N ATOM 894 CA THR A 56 22.305 1.805 -30.173 1.00 32.21 C ATOM 895 C THR A 56 21.275 2.805 -30.731 1.00 72.20 C ATOM 896 O THR A 56 20.991 3.832 -30.108 1.00 74.25 O ATOM 897 CB THR A 56 23.610 1.903 -31.012 1.00 62.20 C ATOM 898 OG1 THR A 56 24.585 0.958 -30.532 1.00 22.15 O ATOM 899 CG2 THR A 56 24.204 3.311 -30.953 1.00 33.44 C ATOM 0 H THR A 56 22.304 -0.230 -30.728 1.00 53.35 H new ATOM 0 HA THR A 56 22.520 2.066 -29.137 1.00 32.21 H new ATOM 0 HB THR A 56 23.354 1.674 -32.046 1.00 62.20 H new ATOM 0 HG1 THR A 56 25.480 1.239 -30.815 1.00 22.15 H new ATOM 0 HG21 THR A 56 25.116 3.347 -31.550 1.00 33.44 H new ATOM 0 HG22 THR A 56 23.483 4.027 -31.348 1.00 33.44 H new ATOM 0 HG23 THR A 56 24.437 3.565 -29.919 1.00 33.44 H new ATOM 907 N ASP A 57 20.712 2.500 -31.903 1.00 12.24 N ATOM 908 CA ASP A 57 19.700 3.365 -32.524 1.00 71.21 C ATOM 909 C ASP A 57 18.479 3.548 -31.606 1.00 34.20 C ATOM 910 O ASP A 57 18.013 4.669 -31.389 1.00 20.23 O ATOM 911 CB ASP A 57 19.260 2.788 -33.875 1.00 64.45 C ATOM 912 CG ASP A 57 20.348 2.882 -34.933 1.00 15.15 C ATOM 913 OD1 ASP A 57 21.246 2.016 -34.953 1.00 22.54 O ATOM 914 OD2 ASP A 57 20.303 3.824 -35.755 1.00 12.14 O ATOM 0 H ASP A 57 20.938 1.664 -32.441 1.00 12.24 H new ATOM 0 HA ASP A 57 20.153 4.343 -32.684 1.00 71.21 H new ATOM 0 HB2 ASP A 57 18.974 1.744 -33.744 1.00 64.45 H new ATOM 0 HB3 ASP A 57 18.374 3.320 -34.222 1.00 64.45 H new ATOM 919 N ASP A 58 17.981 2.438 -31.061 1.00 12.12 N ATOM 920 CA ASP A 58 16.835 2.462 -30.144 1.00 44.04 C ATOM 921 C ASP A 58 17.118 3.339 -28.912 1.00 41.04 C ATOM 922 O ASP A 58 16.258 4.102 -28.469 1.00 3.01 O ATOM 923 CB ASP A 58 16.491 1.037 -29.697 1.00 41.14 C ATOM 924 CG ASP A 58 16.227 0.110 -30.870 1.00 41.31 C ATOM 925 OD1 ASP A 58 17.190 -0.227 -31.595 1.00 52.02 O ATOM 926 OD2 ASP A 58 15.065 -0.294 -31.079 1.00 5.45 O ATOM 0 H ASP A 58 18.354 1.505 -31.238 1.00 12.12 H new ATOM 0 HA ASP A 58 15.988 2.892 -30.679 1.00 44.04 H new ATOM 0 HB2 ASP A 58 17.311 0.638 -29.100 1.00 41.14 H new ATOM 0 HB3 ASP A 58 15.612 1.063 -29.053 1.00 41.14 H new ATOM 931 N ALA A 59 18.329 3.223 -28.363 1.00 65.15 N ATOM 932 CA ALA A 59 18.737 4.030 -27.209 1.00 41.21 C ATOM 933 C ALA A 59 18.659 5.531 -27.519 1.00 52.13 C ATOM 934 O ALA A 59 17.973 6.284 -26.826 1.00 71.12 O ATOM 935 CB ALA A 59 20.150 3.652 -26.773 1.00 4.12 C ATOM 0 H ALA A 59 19.045 2.578 -28.698 1.00 65.15 H new ATOM 0 HA ALA A 59 18.045 3.821 -26.393 1.00 41.21 H new ATOM 0 HB1 ALA A 59 20.441 4.259 -25.915 1.00 4.12 H new ATOM 0 HB2 ALA A 59 20.176 2.598 -26.497 1.00 4.12 H new ATOM 0 HB3 ALA A 59 20.844 3.829 -27.595 1.00 4.12 H new ATOM 941 N ILE A 60 19.344 5.956 -28.581 1.00 35.22 N ATOM 942 CA ILE A 60 19.348 7.368 -28.988 1.00 33.44 C ATOM 943 C ILE A 60 17.923 7.871 -29.276 1.00 62.45 C ATOM 944 O ILE A 60 17.546 8.970 -28.862 1.00 33.12 O ATOM 945 CB ILE A 60 20.236 7.590 -30.241 1.00 44.33 C ATOM 946 CG1 ILE A 60 21.676 7.120 -29.967 1.00 34.53 C ATOM 947 CG2 ILE A 60 20.220 9.061 -30.665 1.00 13.13 C ATOM 948 CD1 ILE A 60 22.610 7.257 -31.156 1.00 51.52 C ATOM 0 H ILE A 60 19.904 5.346 -29.177 1.00 35.22 H new ATOM 0 HA ILE A 60 19.762 7.937 -28.156 1.00 33.44 H new ATOM 0 HB ILE A 60 19.828 6.998 -31.060 1.00 44.33 H new ATOM 0 HG12 ILE A 60 22.081 7.693 -29.133 1.00 34.53 H new ATOM 0 HG13 ILE A 60 21.653 6.076 -29.655 1.00 34.53 H new ATOM 0 HG21 ILE A 60 20.849 9.193 -31.545 1.00 13.13 H new ATOM 0 HG22 ILE A 60 19.199 9.361 -30.901 1.00 13.13 H new ATOM 0 HG23 ILE A 60 20.600 9.678 -29.851 1.00 13.13 H new ATOM 0 HD11 ILE A 60 23.604 6.905 -30.880 1.00 51.52 H new ATOM 0 HD12 ILE A 60 22.231 6.661 -31.987 1.00 51.52 H new ATOM 0 HD13 ILE A 60 22.666 8.303 -31.456 1.00 51.52 H new ATOM 960 N ASP A 61 17.137 7.051 -29.975 1.00 41.45 N ATOM 961 CA ASP A 61 15.735 7.370 -30.271 1.00 54.52 C ATOM 962 C ASP A 61 14.935 7.591 -28.970 1.00 51.15 C ATOM 963 O ASP A 61 14.154 8.541 -28.855 1.00 71.34 O ATOM 964 CB ASP A 61 15.116 6.232 -31.094 1.00 4.44 C ATOM 965 CG ASP A 61 13.726 6.563 -31.611 1.00 15.54 C ATOM 966 OD1 ASP A 61 12.741 6.345 -30.876 1.00 73.14 O ATOM 967 OD2 ASP A 61 13.611 7.032 -32.763 1.00 44.52 O ATOM 0 H ASP A 61 17.448 6.155 -30.350 1.00 41.45 H new ATOM 0 HA ASP A 61 15.697 8.294 -30.847 1.00 54.52 H new ATOM 0 HB2 ASP A 61 15.767 6.005 -31.938 1.00 4.44 H new ATOM 0 HB3 ASP A 61 15.065 5.333 -30.480 1.00 4.44 H new ATOM 972 N THR A 62 15.156 6.713 -27.989 1.00 32.14 N ATOM 973 CA THR A 62 14.501 6.817 -26.675 1.00 74.53 C ATOM 974 C THR A 62 14.854 8.137 -25.976 1.00 64.40 C ATOM 975 O THR A 62 13.978 8.826 -25.446 1.00 53.21 O ATOM 976 CB THR A 62 14.890 5.633 -25.751 1.00 74.43 C ATOM 977 OG1 THR A 62 14.448 4.396 -26.326 1.00 42.25 O ATOM 978 CG2 THR A 62 14.288 5.783 -24.356 1.00 72.55 C ATOM 0 H THR A 62 15.787 5.916 -28.077 1.00 32.14 H new ATOM 0 HA THR A 62 13.427 6.787 -26.859 1.00 74.53 H new ATOM 0 HB THR A 62 15.976 5.634 -25.657 1.00 74.43 H new ATOM 0 HG1 THR A 62 15.008 4.176 -27.100 1.00 42.25 H new ATOM 0 HG21 THR A 62 14.583 4.934 -23.739 1.00 72.55 H new ATOM 0 HG22 THR A 62 14.649 6.705 -23.901 1.00 72.55 H new ATOM 0 HG23 THR A 62 13.201 5.817 -24.430 1.00 72.55 H new ATOM 986 N TYR A 63 16.143 8.487 -25.980 1.00 43.43 N ATOM 987 CA TYR A 63 16.597 9.753 -25.394 1.00 63.51 C ATOM 988 C TYR A 63 15.993 10.957 -26.131 1.00 2.32 C ATOM 989 O TYR A 63 15.619 11.947 -25.507 1.00 52.31 O ATOM 990 CB TYR A 63 18.130 9.851 -25.413 1.00 2.53 C ATOM 991 CG TYR A 63 18.828 8.799 -24.569 1.00 55.31 C ATOM 992 CD1 TYR A 63 18.566 8.687 -23.207 1.00 51.51 C ATOM 993 CD2 TYR A 63 19.747 7.920 -25.132 1.00 13.44 C ATOM 994 CE1 TYR A 63 19.198 7.731 -22.435 1.00 33.32 C ATOM 995 CE2 TYR A 63 20.381 6.962 -24.366 1.00 45.11 C ATOM 996 CZ TYR A 63 20.104 6.872 -23.020 1.00 60.11 C ATOM 997 OH TYR A 63 20.737 5.921 -22.254 1.00 71.10 O ATOM 0 H TYR A 63 16.888 7.916 -26.380 1.00 43.43 H new ATOM 0 HA TYR A 63 16.255 9.770 -24.359 1.00 63.51 H new ATOM 0 HB2 TYR A 63 18.476 9.764 -26.443 1.00 2.53 H new ATOM 0 HB3 TYR A 63 18.425 10.839 -25.060 1.00 2.53 H new ATOM 0 HD1 TYR A 63 17.857 9.358 -22.746 1.00 51.51 H new ATOM 0 HD2 TYR A 63 19.969 7.988 -26.187 1.00 13.44 H new ATOM 0 HE1 TYR A 63 18.983 7.657 -21.379 1.00 33.32 H new ATOM 0 HE2 TYR A 63 21.091 6.286 -24.820 1.00 45.11 H new ATOM 0 HH TYR A 63 21.535 5.600 -22.724 1.00 71.10 H new ATOM 1007 N ALA A 64 15.891 10.858 -27.458 1.00 53.51 N ATOM 1008 CA ALA A 64 15.334 11.937 -28.284 1.00 5.21 C ATOM 1009 C ALA A 64 13.904 12.310 -27.853 1.00 45.14 C ATOM 1010 O ALA A 64 13.618 13.474 -27.559 1.00 25.33 O ATOM 1011 CB ALA A 64 15.360 11.538 -29.757 1.00 21.44 C ATOM 0 H ALA A 64 16.188 10.038 -27.988 1.00 53.51 H new ATOM 0 HA ALA A 64 15.957 12.819 -28.140 1.00 5.21 H new ATOM 0 HB1 ALA A 64 14.945 12.345 -30.360 1.00 21.44 H new ATOM 0 HB2 ALA A 64 16.388 11.348 -30.064 1.00 21.44 H new ATOM 0 HB3 ALA A 64 14.766 10.636 -29.900 1.00 21.44 H new ATOM 1017 N GLN A 65 13.009 11.321 -27.816 1.00 71.41 N ATOM 1018 CA GLN A 65 11.629 11.549 -27.357 1.00 40.10 C ATOM 1019 C GLN A 65 11.628 11.934 -25.868 1.00 55.25 C ATOM 1020 O GLN A 65 10.845 12.782 -25.421 1.00 45.01 O ATOM 1021 CB GLN A 65 10.771 10.289 -27.601 1.00 55.40 C ATOM 1022 CG GLN A 65 9.256 10.540 -27.622 1.00 52.50 C ATOM 1023 CD GLN A 65 8.631 10.769 -26.249 1.00 5.14 C ATOM 1024 OE1 GLN A 65 9.138 10.098 -25.235 1.00 54.31 O flip ATOM 1025 NE2 GLN A 65 7.673 11.522 -26.108 1.00 23.40 N flip ATOM 0 H GLN A 65 13.208 10.360 -28.095 1.00 71.41 H new ATOM 0 HA GLN A 65 11.194 12.371 -27.925 1.00 40.10 H new ATOM 0 HB2 GLN A 65 11.065 9.844 -28.551 1.00 55.40 H new ATOM 0 HB3 GLN A 65 10.994 9.558 -26.824 1.00 55.40 H new ATOM 0 HG2 GLN A 65 9.054 11.409 -28.248 1.00 52.50 H new ATOM 0 HG3 GLN A 65 8.766 9.687 -28.092 1.00 52.50 H new ATOM 0 HE21 GLN A 65 7.301 12.029 -26.911 1.00 23.40 H new ATOM 0 HE22 GLN A 65 7.249 11.641 -25.188 1.00 23.40 H new ATOM 1034 N GLY A 66 12.528 11.308 -25.108 1.00 60.34 N ATOM 1035 CA GLY A 66 12.696 11.644 -23.703 1.00 51.35 C ATOM 1036 C GLY A 66 13.036 13.115 -23.487 1.00 3.34 C ATOM 1037 O GLY A 66 12.581 13.722 -22.523 1.00 61.05 O ATOM 0 H GLY A 66 13.147 10.570 -25.444 1.00 60.34 H new ATOM 0 HA2 GLY A 66 11.779 11.404 -23.164 1.00 51.35 H new ATOM 0 HA3 GLY A 66 13.487 11.026 -23.278 1.00 51.35 H new ATOM 1041 N ILE A 67 13.829 13.686 -24.392 1.00 54.11 N ATOM 1042 CA ILE A 67 14.201 15.106 -24.336 1.00 54.25 C ATOM 1043 C ILE A 67 12.961 16.013 -24.321 1.00 21.24 C ATOM 1044 O ILE A 67 12.896 16.992 -23.568 1.00 24.01 O ATOM 1045 CB ILE A 67 15.121 15.474 -25.538 1.00 40.33 C ATOM 1046 CG1 ILE A 67 16.539 14.925 -25.303 1.00 63.44 C ATOM 1047 CG2 ILE A 67 15.151 16.983 -25.792 1.00 44.12 C ATOM 1048 CD1 ILE A 67 17.490 15.163 -26.455 1.00 72.22 C ATOM 0 H ILE A 67 14.232 13.184 -25.183 1.00 54.11 H new ATOM 0 HA ILE A 67 14.747 15.269 -23.407 1.00 54.25 H new ATOM 0 HB ILE A 67 14.707 15.010 -26.433 1.00 40.33 H new ATOM 0 HG12 ILE A 67 16.951 15.384 -24.404 1.00 63.44 H new ATOM 0 HG13 ILE A 67 16.476 13.854 -25.113 1.00 63.44 H new ATOM 0 HG21 ILE A 67 15.804 17.197 -26.638 1.00 44.12 H new ATOM 0 HG22 ILE A 67 14.143 17.335 -26.013 1.00 44.12 H new ATOM 0 HG23 ILE A 67 15.527 17.494 -24.906 1.00 44.12 H new ATOM 0 HD11 ILE A 67 18.468 14.747 -26.212 1.00 72.22 H new ATOM 0 HD12 ILE A 67 17.103 14.680 -27.352 1.00 72.22 H new ATOM 0 HD13 ILE A 67 17.586 16.234 -26.633 1.00 72.22 H new ATOM 1060 N GLU A 68 11.970 15.664 -25.136 1.00 12.50 N ATOM 1061 CA GLU A 68 10.729 16.438 -25.221 1.00 42.32 C ATOM 1062 C GLU A 68 9.987 16.445 -23.875 1.00 33.22 C ATOM 1063 O GLU A 68 9.702 17.506 -23.310 1.00 51.34 O ATOM 1064 CB GLU A 68 9.822 15.859 -26.316 1.00 34.42 C ATOM 1065 CG GLU A 68 10.498 15.739 -27.679 1.00 22.41 C ATOM 1066 CD GLU A 68 9.548 15.252 -28.762 1.00 64.14 C ATOM 1067 OE1 GLU A 68 9.404 14.021 -28.928 1.00 20.53 O ATOM 1068 OE2 GLU A 68 8.927 16.097 -29.442 1.00 42.31 O ATOM 0 H GLU A 68 11.999 14.849 -25.749 1.00 12.50 H new ATOM 0 HA GLU A 68 10.988 17.467 -25.473 1.00 42.32 H new ATOM 0 HB2 GLU A 68 9.477 14.873 -26.005 1.00 34.42 H new ATOM 0 HB3 GLU A 68 8.939 16.490 -26.414 1.00 34.42 H new ATOM 0 HG2 GLU A 68 10.904 16.709 -27.966 1.00 22.41 H new ATOM 0 HG3 GLU A 68 11.340 15.051 -27.603 1.00 22.41 H new ATOM 1075 N VAL A 69 9.701 15.252 -23.352 1.00 33.31 N ATOM 1076 CA VAL A 69 8.991 15.123 -22.073 1.00 64.32 C ATOM 1077 C VAL A 69 9.874 15.546 -20.883 1.00 52.20 C ATOM 1078 O VAL A 69 9.370 15.925 -19.828 1.00 21.11 O ATOM 1079 CB VAL A 69 8.473 13.678 -21.845 1.00 32.03 C ATOM 1080 CG1 VAL A 69 7.514 13.264 -22.962 1.00 40.23 C ATOM 1081 CG2 VAL A 69 9.632 12.690 -21.727 1.00 64.44 C ATOM 0 H VAL A 69 9.947 14.364 -23.789 1.00 33.31 H new ATOM 0 HA VAL A 69 8.136 15.796 -22.130 1.00 64.32 H new ATOM 0 HB VAL A 69 7.925 13.662 -20.903 1.00 32.03 H new ATOM 0 HG11 VAL A 69 7.163 12.248 -22.782 1.00 40.23 H new ATOM 0 HG12 VAL A 69 6.662 13.944 -22.981 1.00 40.23 H new ATOM 0 HG13 VAL A 69 8.032 13.305 -23.920 1.00 40.23 H new ATOM 0 HG21 VAL A 69 9.239 11.686 -21.568 1.00 64.44 H new ATOM 0 HG22 VAL A 69 10.220 12.708 -22.644 1.00 64.44 H new ATOM 0 HG23 VAL A 69 10.264 12.970 -20.885 1.00 64.44 H new ATOM 1091 N ALA A 70 11.193 15.490 -21.061 1.00 44.01 N ATOM 1092 CA ALA A 70 12.132 15.880 -20.001 1.00 3.03 C ATOM 1093 C ALA A 70 12.010 17.366 -19.658 1.00 3.22 C ATOM 1094 O ALA A 70 11.841 17.730 -18.499 1.00 20.53 O ATOM 1095 CB ALA A 70 13.566 15.559 -20.406 1.00 62.44 C ATOM 0 H ALA A 70 11.638 15.180 -21.925 1.00 44.01 H new ATOM 0 HA ALA A 70 11.874 15.304 -19.113 1.00 3.03 H new ATOM 0 HB1 ALA A 70 14.245 15.856 -19.607 1.00 62.44 H new ATOM 0 HB2 ALA A 70 13.662 14.488 -20.585 1.00 62.44 H new ATOM 0 HB3 ALA A 70 13.817 16.103 -21.316 1.00 62.44 H new ATOM 1101 N ARG A 71 12.087 18.221 -20.676 1.00 41.32 N ATOM 1102 CA ARG A 71 12.027 19.671 -20.464 1.00 73.11 C ATOM 1103 C ARG A 71 10.620 20.138 -20.047 1.00 11.02 C ATOM 1104 O ARG A 71 10.480 21.020 -19.198 1.00 55.44 O ATOM 1105 CB ARG A 71 12.475 20.424 -21.729 1.00 34.32 C ATOM 1106 CG ARG A 71 11.621 20.141 -22.963 1.00 3.42 C ATOM 1107 CD ARG A 71 11.978 21.059 -24.128 1.00 34.00 C ATOM 1108 NE ARG A 71 11.758 22.471 -23.804 1.00 70.33 N ATOM 1109 CZ ARG A 71 11.724 23.435 -24.684 1.00 72.34 C ATOM 1110 NH1 ARG A 71 11.860 23.190 -25.948 1.00 11.15 N ATOM 1111 NH2 ARG A 71 11.538 24.650 -24.296 1.00 71.55 N ATOM 0 H ARG A 71 12.190 17.940 -21.651 1.00 41.32 H new ATOM 0 HA ARG A 71 12.710 19.901 -19.647 1.00 73.11 H new ATOM 0 HB2 ARG A 71 12.456 21.495 -21.526 1.00 34.32 H new ATOM 0 HB3 ARG A 71 13.509 20.159 -21.949 1.00 34.32 H new ATOM 0 HG2 ARG A 71 11.754 19.102 -23.266 1.00 3.42 H new ATOM 0 HG3 ARG A 71 10.568 20.267 -22.712 1.00 3.42 H new ATOM 0 HD2 ARG A 71 13.023 20.909 -24.401 1.00 34.00 H new ATOM 0 HD3 ARG A 71 11.379 20.790 -24.998 1.00 34.00 H new ATOM 0 HE ARG A 71 11.622 22.718 -22.824 1.00 70.33 H new ATOM 0 HH11 ARG A 71 11.996 22.232 -26.270 1.00 11.15 H new ATOM 0 HH12 ARG A 71 11.831 23.955 -26.622 1.00 11.15 H new ATOM 0 HH21 ARG A 71 11.418 24.856 -23.304 1.00 71.55 H new ATOM 0 HH22 ARG A 71 11.511 25.406 -24.981 1.00 71.55 H new ATOM 1125 N GLU A 72 9.584 19.540 -20.641 1.00 12.10 N ATOM 1126 CA GLU A 72 8.199 19.971 -20.395 1.00 13.24 C ATOM 1127 C GLU A 72 7.567 19.280 -19.170 1.00 2.21 C ATOM 1128 O GLU A 72 7.044 19.943 -18.274 1.00 3.51 O ATOM 1129 CB GLU A 72 7.339 19.694 -21.638 1.00 50.03 C ATOM 1130 CG GLU A 72 7.773 20.469 -22.880 1.00 55.10 C ATOM 1131 CD GLU A 72 6.884 20.195 -24.085 1.00 2.54 C ATOM 1132 OE1 GLU A 72 5.783 20.782 -24.162 1.00 62.20 O ATOM 1133 OE2 GLU A 72 7.276 19.387 -24.953 1.00 2.33 O ATOM 0 H GLU A 72 9.673 18.760 -21.292 1.00 12.10 H new ATOM 0 HA GLU A 72 8.232 21.040 -20.184 1.00 13.24 H new ATOM 0 HB2 GLU A 72 7.371 18.627 -21.859 1.00 50.03 H new ATOM 0 HB3 GLU A 72 6.302 19.942 -21.412 1.00 50.03 H new ATOM 0 HG2 GLU A 72 7.760 21.536 -22.660 1.00 55.10 H new ATOM 0 HG3 GLU A 72 8.802 20.206 -23.126 1.00 55.10 H new ATOM 1140 N GLU A 73 7.623 17.952 -19.132 1.00 51.51 N ATOM 1141 CA GLU A 73 6.937 17.178 -18.085 1.00 53.20 C ATOM 1142 C GLU A 73 7.793 17.043 -16.815 1.00 52.13 C ATOM 1143 O GLU A 73 7.308 17.251 -15.700 1.00 24.24 O ATOM 1144 CB GLU A 73 6.559 15.787 -18.623 1.00 62.54 C ATOM 1145 CG GLU A 73 5.716 15.819 -19.902 1.00 51.12 C ATOM 1146 CD GLU A 73 4.276 16.273 -19.679 1.00 60.43 C ATOM 1147 OE1 GLU A 73 4.061 17.385 -19.153 1.00 44.21 O ATOM 1148 OE2 GLU A 73 3.347 15.526 -20.055 1.00 60.40 O ATOM 0 H GLU A 73 8.133 17.384 -19.809 1.00 51.51 H new ATOM 0 HA GLU A 73 6.032 17.721 -17.811 1.00 53.20 H new ATOM 0 HB2 GLU A 73 7.472 15.224 -18.816 1.00 62.54 H new ATOM 0 HB3 GLU A 73 6.009 15.248 -17.852 1.00 62.54 H new ATOM 0 HG2 GLU A 73 6.190 16.486 -20.622 1.00 51.12 H new ATOM 0 HG3 GLU A 73 5.709 14.824 -20.346 1.00 51.12 H new ATOM 1155 N GLY A 74 9.067 16.697 -16.990 1.00 51.41 N ATOM 1156 CA GLY A 74 9.962 16.512 -15.850 1.00 11.34 C ATOM 1157 C GLY A 74 10.692 17.789 -15.438 1.00 5.34 C ATOM 1158 O GLY A 74 10.130 18.640 -14.746 1.00 33.32 O ATOM 0 H GLY A 74 9.499 16.540 -17.901 1.00 51.41 H new ATOM 0 HA2 GLY A 74 9.386 16.142 -15.002 1.00 11.34 H new ATOM 0 HA3 GLY A 74 10.697 15.745 -16.095 1.00 11.34 H new ATOM 1162 N THR A 75 11.946 17.919 -15.862 1.00 52.10 N ATOM 1163 CA THR A 75 12.771 19.085 -15.520 1.00 42.44 C ATOM 1164 C THR A 75 14.035 19.159 -16.386 1.00 53.20 C ATOM 1165 O THR A 75 14.493 18.149 -16.936 1.00 45.12 O ATOM 1166 CB THR A 75 13.189 19.082 -14.028 1.00 73.24 C ATOM 1167 OG1 THR A 75 14.080 20.179 -13.756 1.00 60.20 O ATOM 1168 CG2 THR A 75 13.866 17.769 -13.643 1.00 24.50 C ATOM 0 H THR A 75 12.419 17.230 -16.446 1.00 52.10 H new ATOM 0 HA THR A 75 12.149 19.959 -15.714 1.00 42.44 H new ATOM 0 HB THR A 75 12.283 19.192 -13.432 1.00 73.24 H new ATOM 0 HG1 THR A 75 14.335 20.166 -12.810 1.00 60.20 H new ATOM 0 HG21 THR A 75 14.147 17.799 -12.590 1.00 24.50 H new ATOM 0 HG22 THR A 75 13.177 16.941 -13.811 1.00 24.50 H new ATOM 0 HG23 THR A 75 14.758 17.627 -14.253 1.00 24.50 H new ATOM 1176 N GLN A 76 14.598 20.362 -16.492 1.00 54.41 N ATOM 1177 CA GLN A 76 15.804 20.606 -17.297 1.00 41.23 C ATOM 1178 C GLN A 76 16.995 19.751 -16.821 1.00 44.52 C ATOM 1179 O GLN A 76 17.918 19.469 -17.592 1.00 73.01 O ATOM 1180 CB GLN A 76 16.169 22.102 -17.257 1.00 42.25 C ATOM 1181 CG GLN A 76 17.301 22.495 -18.205 1.00 74.14 C ATOM 1182 CD GLN A 76 17.613 23.983 -18.168 1.00 43.23 C ATOM 1183 OE1 GLN A 76 18.453 24.441 -17.399 1.00 30.13 O ATOM 1184 NE2 GLN A 76 16.930 24.751 -18.992 1.00 22.34 N ATOM 0 H GLN A 76 14.236 21.194 -16.026 1.00 54.41 H new ATOM 0 HA GLN A 76 15.584 20.314 -18.324 1.00 41.23 H new ATOM 0 HB2 GLN A 76 15.283 22.687 -17.504 1.00 42.25 H new ATOM 0 HB3 GLN A 76 16.453 22.368 -16.239 1.00 42.25 H new ATOM 0 HG2 GLN A 76 18.198 21.934 -17.944 1.00 74.14 H new ATOM 0 HG3 GLN A 76 17.032 22.210 -19.222 1.00 74.14 H new ATOM 0 HE21 GLN A 76 16.239 24.339 -19.619 1.00 22.34 H new ATOM 0 HE22 GLN A 76 17.092 25.758 -19.003 1.00 22.34 H new ATOM 1193 N LYS A 77 16.963 19.331 -15.560 1.00 20.23 N ATOM 1194 CA LYS A 77 18.020 18.478 -15.006 1.00 61.01 C ATOM 1195 C LYS A 77 18.052 17.107 -15.700 1.00 75.13 C ATOM 1196 O LYS A 77 19.103 16.668 -16.173 1.00 71.54 O ATOM 1197 CB LYS A 77 17.813 18.300 -13.500 1.00 34.31 C ATOM 1198 CG LYS A 77 18.856 17.408 -12.831 1.00 3.42 C ATOM 1199 CD LYS A 77 18.634 17.320 -11.324 1.00 43.13 C ATOM 1200 CE LYS A 77 18.800 18.679 -10.650 1.00 21.24 C ATOM 1201 NZ LYS A 77 18.397 18.650 -9.221 1.00 3.03 N ATOM 0 H LYS A 77 16.221 19.564 -14.901 1.00 20.23 H new ATOM 0 HA LYS A 77 18.978 18.967 -15.183 1.00 61.01 H new ATOM 0 HB2 LYS A 77 17.828 19.280 -13.023 1.00 34.31 H new ATOM 0 HB3 LYS A 77 16.823 17.877 -13.327 1.00 34.31 H new ATOM 0 HG2 LYS A 77 18.814 16.409 -13.265 1.00 3.42 H new ATOM 0 HG3 LYS A 77 19.853 17.800 -13.030 1.00 3.42 H new ATOM 0 HD2 LYS A 77 17.634 16.935 -11.125 1.00 43.13 H new ATOM 0 HD3 LYS A 77 19.340 16.611 -10.893 1.00 43.13 H new ATOM 0 HE2 LYS A 77 19.840 18.996 -10.726 1.00 21.24 H new ATOM 0 HE3 LYS A 77 18.202 19.421 -11.179 1.00 21.24 H new ATOM 0 HZ1 LYS A 77 18.527 19.594 -8.805 1.00 3.03 H new ATOM 0 HZ2 LYS A 77 17.397 18.374 -9.148 1.00 3.03 H new ATOM 0 HZ3 LYS A 77 18.985 17.962 -8.708 1.00 3.03 H new ATOM 1215 N ASP A 78 16.895 16.446 -15.783 1.00 31.31 N ATOM 1216 CA ASP A 78 16.782 15.178 -16.511 1.00 40.23 C ATOM 1217 C ASP A 78 17.049 15.386 -18.009 1.00 4.51 C ATOM 1218 O ASP A 78 17.644 14.532 -18.669 1.00 21.03 O ATOM 1219 CB ASP A 78 15.398 14.562 -16.291 1.00 31.21 C ATOM 1220 CG ASP A 78 15.220 14.053 -14.872 1.00 44.42 C ATOM 1221 OD1 ASP A 78 15.065 14.881 -13.952 1.00 4.22 O ATOM 1222 OD2 ASP A 78 15.248 12.820 -14.664 1.00 73.41 O ATOM 0 H ASP A 78 16.025 16.766 -15.357 1.00 31.31 H new ATOM 0 HA ASP A 78 17.534 14.490 -16.125 1.00 40.23 H new ATOM 0 HB2 ASP A 78 14.632 15.306 -16.508 1.00 31.21 H new ATOM 0 HB3 ASP A 78 15.252 13.740 -16.992 1.00 31.21 H new ATOM 1227 N LEU A 79 16.611 16.533 -18.531 1.00 62.13 N ATOM 1228 CA LEU A 79 16.928 16.936 -19.906 1.00 14.34 C ATOM 1229 C LEU A 79 18.444 16.883 -20.154 1.00 44.32 C ATOM 1230 O LEU A 79 18.912 16.293 -21.130 1.00 32.23 O ATOM 1231 CB LEU A 79 16.402 18.358 -20.166 1.00 20.12 C ATOM 1232 CG LEU A 79 16.749 18.959 -21.536 1.00 34.20 C ATOM 1233 CD1 LEU A 79 16.107 18.151 -22.655 1.00 43.52 C ATOM 1234 CD2 LEU A 79 16.318 20.425 -21.606 1.00 2.23 C ATOM 0 H LEU A 79 16.034 17.202 -18.022 1.00 62.13 H new ATOM 0 HA LEU A 79 16.444 16.241 -20.592 1.00 14.34 H new ATOM 0 HB2 LEU A 79 15.317 18.349 -20.058 1.00 20.12 H new ATOM 0 HB3 LEU A 79 16.794 19.017 -19.391 1.00 20.12 H new ATOM 0 HG LEU A 79 17.830 18.917 -21.665 1.00 34.20 H new ATOM 0 HD11 LEU A 79 16.365 18.593 -23.617 1.00 43.52 H new ATOM 0 HD12 LEU A 79 16.472 17.124 -22.618 1.00 43.52 H new ATOM 0 HD13 LEU A 79 15.024 18.156 -22.532 1.00 43.52 H new ATOM 0 HD21 LEU A 79 16.573 20.833 -22.584 1.00 2.23 H new ATOM 0 HD22 LEU A 79 15.241 20.495 -21.452 1.00 2.23 H new ATOM 0 HD23 LEU A 79 16.833 20.993 -20.831 1.00 2.23 H new ATOM 1246 N SER A 80 19.204 17.488 -19.240 1.00 20.15 N ATOM 1247 CA SER A 80 20.671 17.513 -19.331 1.00 40.54 C ATOM 1248 C SER A 80 21.264 16.096 -19.285 1.00 21.01 C ATOM 1249 O SER A 80 22.265 15.806 -19.940 1.00 52.22 O ATOM 1250 CB SER A 80 21.265 18.352 -18.188 1.00 51.02 C ATOM 1251 OG SER A 80 20.777 19.688 -18.215 1.00 22.43 O ATOM 0 H SER A 80 18.829 17.970 -18.423 1.00 20.15 H new ATOM 0 HA SER A 80 20.930 17.964 -20.289 1.00 40.54 H new ATOM 0 HB2 SER A 80 21.018 17.892 -17.231 1.00 51.02 H new ATOM 0 HB3 SER A 80 22.352 18.359 -18.267 1.00 51.02 H new ATOM 0 HG SER A 80 19.814 19.688 -18.031 1.00 22.43 H new ATOM 1257 N GLU A 81 20.641 15.218 -18.498 1.00 53.44 N ATOM 1258 CA GLU A 81 21.086 13.822 -18.384 1.00 50.25 C ATOM 1259 C GLU A 81 20.852 13.048 -19.692 1.00 20.22 C ATOM 1260 O GLU A 81 21.743 12.355 -20.182 1.00 12.21 O ATOM 1261 CB GLU A 81 20.358 13.120 -17.225 1.00 13.53 C ATOM 1262 CG GLU A 81 20.552 13.791 -15.867 1.00 53.42 C ATOM 1263 CD GLU A 81 22.011 13.857 -15.436 1.00 51.20 C ATOM 1264 OE1 GLU A 81 22.506 12.877 -14.843 1.00 45.43 O ATOM 1265 OE2 GLU A 81 22.666 14.894 -15.677 1.00 72.03 O ATOM 0 H GLU A 81 19.826 15.446 -17.928 1.00 53.44 H new ATOM 0 HA GLU A 81 22.157 13.833 -18.182 1.00 50.25 H new ATOM 0 HB2 GLU A 81 19.292 13.082 -17.450 1.00 13.53 H new ATOM 0 HB3 GLU A 81 20.708 12.090 -17.162 1.00 13.53 H new ATOM 0 HG2 GLU A 81 20.145 14.801 -15.906 1.00 53.42 H new ATOM 0 HG3 GLU A 81 19.981 13.247 -15.115 1.00 53.42 H new ATOM 1272 N LEU A 82 19.650 13.177 -20.256 1.00 34.34 N ATOM 1273 CA LEU A 82 19.285 12.461 -21.486 1.00 15.52 C ATOM 1274 C LEU A 82 20.156 12.886 -22.680 1.00 11.45 C ATOM 1275 O LEU A 82 20.650 12.040 -23.434 1.00 71.11 O ATOM 1276 CB LEU A 82 17.805 12.690 -21.807 1.00 23.14 C ATOM 1277 CG LEU A 82 16.820 12.179 -20.741 1.00 63.34 C ATOM 1278 CD1 LEU A 82 15.382 12.474 -21.147 1.00 15.21 C ATOM 1279 CD2 LEU A 82 17.013 10.686 -20.501 1.00 44.51 C ATOM 0 H LEU A 82 18.910 13.771 -19.882 1.00 34.34 H new ATOM 0 HA LEU A 82 19.461 11.399 -21.313 1.00 15.52 H new ATOM 0 HB2 LEU A 82 17.641 13.758 -21.949 1.00 23.14 H new ATOM 0 HB3 LEU A 82 17.575 12.204 -22.755 1.00 23.14 H new ATOM 0 HG LEU A 82 17.026 12.706 -19.809 1.00 63.34 H new ATOM 0 HD11 LEU A 82 14.704 12.104 -20.378 1.00 15.21 H new ATOM 0 HD12 LEU A 82 15.249 13.550 -21.260 1.00 15.21 H new ATOM 0 HD13 LEU A 82 15.162 11.980 -22.093 1.00 15.21 H new ATOM 0 HD21 LEU A 82 16.307 10.345 -19.744 1.00 44.51 H new ATOM 0 HD22 LEU A 82 16.840 10.143 -21.430 1.00 44.51 H new ATOM 0 HD23 LEU A 82 18.031 10.501 -20.157 1.00 44.51 H new ATOM 1291 N GLN A 83 20.344 14.195 -22.848 1.00 64.10 N ATOM 1292 CA GLN A 83 21.197 14.720 -23.922 1.00 51.01 C ATOM 1293 C GLN A 83 22.637 14.198 -23.787 1.00 23.34 C ATOM 1294 O GLN A 83 23.228 13.711 -24.754 1.00 61.10 O ATOM 1295 CB GLN A 83 21.184 16.257 -23.912 1.00 11.13 C ATOM 1296 CG GLN A 83 19.792 16.859 -24.093 1.00 32.33 C ATOM 1297 CD GLN A 83 19.791 18.380 -24.178 1.00 34.54 C ATOM 1298 OE1 GLN A 83 20.748 19.027 -23.539 1.00 3.20 O flip ATOM 1299 NE2 GLN A 83 18.931 18.975 -24.818 1.00 74.53 N flip ATOM 0 H GLN A 83 19.920 14.911 -22.258 1.00 64.10 H new ATOM 0 HA GLN A 83 20.797 14.371 -24.874 1.00 51.01 H new ATOM 0 HB2 GLN A 83 21.603 16.609 -22.969 1.00 11.13 H new ATOM 0 HB3 GLN A 83 21.835 16.622 -24.706 1.00 11.13 H new ATOM 0 HG2 GLN A 83 19.345 16.453 -25.000 1.00 32.33 H new ATOM 0 HG3 GLN A 83 19.161 16.550 -23.260 1.00 32.33 H new ATOM 0 HE21 GLN A 83 18.202 18.451 -25.303 1.00 74.53 H new ATOM 0 HE22 GLN A 83 18.944 19.994 -24.866 1.00 74.53 H new ATOM 1308 N ASP A 84 23.184 14.280 -22.575 1.00 40.24 N ATOM 1309 CA ASP A 84 24.536 13.787 -22.295 1.00 31.51 C ATOM 1310 C ASP A 84 24.603 12.249 -22.446 1.00 24.41 C ATOM 1311 O ASP A 84 25.641 11.687 -22.813 1.00 73.30 O ATOM 1312 CB ASP A 84 24.951 14.213 -20.881 1.00 15.14 C ATOM 1313 CG ASP A 84 26.439 14.050 -20.627 1.00 64.41 C ATOM 1314 OD1 ASP A 84 27.210 14.967 -20.980 1.00 30.44 O ATOM 1315 OD2 ASP A 84 26.844 13.016 -20.058 1.00 71.30 O ATOM 0 H ASP A 84 22.711 14.685 -21.767 1.00 40.24 H new ATOM 0 HA ASP A 84 25.229 14.220 -23.016 1.00 31.51 H new ATOM 0 HB2 ASP A 84 24.673 15.255 -20.725 1.00 15.14 H new ATOM 0 HB3 ASP A 84 24.396 13.623 -20.152 1.00 15.14 H new ATOM 1320 N ALA A 85 23.484 11.577 -22.175 1.00 73.24 N ATOM 1321 CA ALA A 85 23.399 10.117 -22.298 1.00 72.14 C ATOM 1322 C ALA A 85 23.552 9.649 -23.758 1.00 73.41 C ATOM 1323 O ALA A 85 24.265 8.681 -24.034 1.00 15.34 O ATOM 1324 CB ALA A 85 22.087 9.617 -21.709 1.00 54.03 C ATOM 0 H ALA A 85 22.619 12.021 -21.867 1.00 73.24 H new ATOM 0 HA ALA A 85 24.229 9.690 -21.736 1.00 72.14 H new ATOM 0 HB1 ALA A 85 22.035 8.533 -21.806 1.00 54.03 H new ATOM 0 HB2 ALA A 85 22.034 9.890 -20.655 1.00 54.03 H new ATOM 0 HB3 ALA A 85 21.252 10.070 -22.244 1.00 54.03 H new ATOM 1330 N LYS A 86 22.867 10.315 -24.690 1.00 33.04 N ATOM 1331 CA LYS A 86 23.040 10.011 -26.119 1.00 32.22 C ATOM 1332 C LYS A 86 24.366 10.586 -26.654 1.00 35.24 C ATOM 1333 O LYS A 86 24.968 10.029 -27.572 1.00 2.03 O ATOM 1334 CB LYS A 86 21.852 10.517 -26.957 1.00 40.12 C ATOM 1335 CG LYS A 86 21.682 12.034 -26.986 1.00 20.41 C ATOM 1336 CD LYS A 86 20.615 12.457 -27.997 1.00 1.24 C ATOM 1337 CE LYS A 86 20.494 13.975 -28.100 1.00 15.11 C ATOM 1338 NZ LYS A 86 19.609 14.398 -29.221 1.00 3.24 N ATOM 0 H LYS A 86 22.197 11.057 -24.490 1.00 33.04 H new ATOM 0 HA LYS A 86 23.075 8.926 -26.214 1.00 32.22 H new ATOM 0 HB2 LYS A 86 21.970 10.160 -27.980 1.00 40.12 H new ATOM 0 HB3 LYS A 86 20.936 10.071 -26.568 1.00 40.12 H new ATOM 0 HG2 LYS A 86 21.406 12.390 -25.993 1.00 20.41 H new ATOM 0 HG3 LYS A 86 22.632 12.503 -27.240 1.00 20.41 H new ATOM 0 HD2 LYS A 86 20.860 12.046 -28.976 1.00 1.24 H new ATOM 0 HD3 LYS A 86 19.653 12.036 -27.706 1.00 1.24 H new ATOM 0 HE2 LYS A 86 20.103 14.370 -27.163 1.00 15.11 H new ATOM 0 HE3 LYS A 86 21.485 14.407 -28.240 1.00 15.11 H new ATOM 0 HZ1 LYS A 86 19.558 15.436 -29.250 1.00 3.24 H new ATOM 0 HZ2 LYS A 86 19.994 14.045 -30.120 1.00 3.24 H new ATOM 0 HZ3 LYS A 86 18.655 14.009 -29.076 1.00 3.24 H new ATOM 1352 N LEU A 87 24.820 11.698 -26.064 1.00 1.43 N ATOM 1353 CA LEU A 87 26.078 12.349 -26.466 1.00 64.54 C ATOM 1354 C LEU A 87 27.264 11.366 -26.436 1.00 23.22 C ATOM 1355 O LEU A 87 28.054 11.295 -27.383 1.00 10.35 O ATOM 1356 CB LEU A 87 26.366 13.544 -25.542 1.00 72.33 C ATOM 1357 CG LEU A 87 27.642 14.345 -25.860 1.00 25.22 C ATOM 1358 CD1 LEU A 87 27.560 14.973 -27.249 1.00 20.11 C ATOM 1359 CD2 LEU A 87 27.888 15.414 -24.794 1.00 24.34 C ATOM 0 H LEU A 87 24.333 12.170 -25.302 1.00 1.43 H new ATOM 0 HA LEU A 87 25.960 12.697 -27.492 1.00 64.54 H new ATOM 0 HB2 LEU A 87 25.514 14.223 -25.581 1.00 72.33 H new ATOM 0 HB3 LEU A 87 26.435 13.178 -24.517 1.00 72.33 H new ATOM 0 HG LEU A 87 28.486 13.655 -25.852 1.00 25.22 H new ATOM 0 HD11 LEU A 87 28.473 15.533 -27.449 1.00 20.11 H new ATOM 0 HD12 LEU A 87 27.444 14.188 -27.997 1.00 20.11 H new ATOM 0 HD13 LEU A 87 26.704 15.646 -27.294 1.00 20.11 H new ATOM 0 HD21 LEU A 87 28.794 15.969 -25.037 1.00 24.34 H new ATOM 0 HD22 LEU A 87 27.041 16.099 -24.763 1.00 24.34 H new ATOM 0 HD23 LEU A 87 28.005 14.937 -23.821 1.00 24.34 H new ATOM 1371 N LYS A 88 27.388 10.610 -25.344 1.00 54.00 N ATOM 1372 CA LYS A 88 28.448 9.598 -25.227 1.00 13.43 C ATOM 1373 C LYS A 88 28.305 8.497 -26.296 1.00 50.24 C ATOM 1374 O LYS A 88 29.303 8.000 -26.810 1.00 4.31 O ATOM 1375 CB LYS A 88 28.456 8.970 -23.826 1.00 21.42 C ATOM 1376 CG LYS A 88 27.131 8.331 -23.435 1.00 23.23 C ATOM 1377 CD LYS A 88 27.240 7.510 -22.154 1.00 34.33 C ATOM 1378 CE LYS A 88 25.876 7.007 -21.698 1.00 44.41 C ATOM 1379 NZ LYS A 88 25.141 6.329 -22.798 1.00 24.50 N ATOM 0 H LYS A 88 26.774 10.675 -24.532 1.00 54.00 H new ATOM 0 HA LYS A 88 29.397 10.109 -25.391 1.00 13.43 H new ATOM 0 HB2 LYS A 88 29.241 8.215 -23.780 1.00 21.42 H new ATOM 0 HB3 LYS A 88 28.709 9.738 -23.095 1.00 21.42 H new ATOM 0 HG2 LYS A 88 26.380 9.110 -23.302 1.00 23.23 H new ATOM 0 HG3 LYS A 88 26.786 7.690 -24.246 1.00 23.23 H new ATOM 0 HD2 LYS A 88 27.905 6.663 -22.319 1.00 34.33 H new ATOM 0 HD3 LYS A 88 27.687 8.118 -21.367 1.00 34.33 H new ATOM 0 HE2 LYS A 88 26.004 6.315 -20.866 1.00 44.41 H new ATOM 0 HE3 LYS A 88 25.285 7.845 -21.328 1.00 44.41 H new ATOM 0 HZ1 LYS A 88 24.264 5.913 -22.425 1.00 24.50 H new ATOM 0 HZ2 LYS A 88 24.908 7.021 -23.538 1.00 24.50 H new ATOM 0 HZ3 LYS A 88 25.736 5.578 -23.202 1.00 24.50 H new ATOM 1393 N ALA A 89 27.063 8.132 -26.642 1.00 21.15 N ATOM 1394 CA ALA A 89 26.813 7.093 -27.657 1.00 52.31 C ATOM 1395 C ALA A 89 27.470 7.459 -28.996 1.00 30.15 C ATOM 1396 O ALA A 89 28.110 6.624 -29.640 1.00 74.13 O ATOM 1397 CB ALA A 89 25.313 6.871 -27.838 1.00 42.41 C ATOM 0 H ALA A 89 26.218 8.537 -26.238 1.00 21.15 H new ATOM 0 HA ALA A 89 27.261 6.164 -27.306 1.00 52.31 H new ATOM 0 HB1 ALA A 89 25.147 6.101 -28.591 1.00 42.41 H new ATOM 0 HB2 ALA A 89 24.875 6.553 -26.892 1.00 42.41 H new ATOM 0 HB3 ALA A 89 24.844 7.801 -28.161 1.00 42.41 H new ATOM 1403 N GLU A 90 27.320 8.722 -29.392 1.00 32.25 N ATOM 1404 CA GLU A 90 28.001 9.262 -30.577 1.00 32.55 C ATOM 1405 C GLU A 90 29.526 9.091 -30.470 1.00 33.31 C ATOM 1406 O GLU A 90 30.214 8.873 -31.469 1.00 35.12 O ATOM 1407 CB GLU A 90 27.648 10.749 -30.737 1.00 53.23 C ATOM 1408 CG GLU A 90 26.165 11.008 -31.001 1.00 40.51 C ATOM 1409 CD GLU A 90 25.763 10.755 -32.449 1.00 72.30 C ATOM 1410 OE1 GLU A 90 25.807 9.590 -32.896 1.00 23.33 O ATOM 1411 OE2 GLU A 90 25.416 11.734 -33.151 1.00 3.55 O ATOM 0 H GLU A 90 26.729 9.398 -28.908 1.00 32.25 H new ATOM 0 HA GLU A 90 27.663 8.707 -31.452 1.00 32.55 H new ATOM 0 HB2 GLU A 90 27.945 11.282 -29.834 1.00 53.23 H new ATOM 0 HB3 GLU A 90 28.231 11.165 -31.559 1.00 53.23 H new ATOM 0 HG2 GLU A 90 25.569 10.371 -30.348 1.00 40.51 H new ATOM 0 HG3 GLU A 90 25.930 12.040 -30.740 1.00 40.51 H new ATOM 1418 N GLY A 91 30.040 9.185 -29.246 1.00 1.02 N ATOM 1419 CA GLY A 91 31.466 8.997 -29.003 1.00 40.25 C ATOM 1420 C GLY A 91 31.863 7.527 -28.874 1.00 3.31 C ATOM 1421 O GLY A 91 33.036 7.180 -29.034 1.00 53.21 O ATOM 0 H GLY A 91 29.492 9.390 -28.410 1.00 1.02 H new ATOM 0 HA2 GLY A 91 32.030 9.449 -29.819 1.00 40.25 H new ATOM 0 HA3 GLY A 91 31.746 9.524 -28.091 1.00 40.25 H new ATOM 1425 N LEU A 92 30.894 6.662 -28.578 1.00 14.54 N ATOM 1426 CA LEU A 92 31.146 5.219 -28.475 1.00 24.04 C ATOM 1427 C LEU A 92 31.340 4.594 -29.863 1.00 1.23 C ATOM 1428 O LEU A 92 32.122 3.654 -30.034 1.00 3.22 O ATOM 1429 CB LEU A 92 29.986 4.522 -27.748 1.00 34.11 C ATOM 1430 CG LEU A 92 29.799 4.916 -26.272 1.00 2.25 C ATOM 1431 CD1 LEU A 92 28.561 4.243 -25.681 1.00 42.44 C ATOM 1432 CD2 LEU A 92 31.046 4.564 -25.462 1.00 40.44 C ATOM 0 H LEU A 92 29.926 6.932 -28.405 1.00 14.54 H new ATOM 0 HA LEU A 92 32.062 5.080 -27.901 1.00 24.04 H new ATOM 0 HB2 LEU A 92 29.062 4.738 -28.284 1.00 34.11 H new ATOM 0 HB3 LEU A 92 30.141 3.444 -27.802 1.00 34.11 H new ATOM 0 HG LEU A 92 29.651 5.995 -26.223 1.00 2.25 H new ATOM 0 HD11 LEU A 92 28.450 4.537 -24.637 1.00 42.44 H new ATOM 0 HD12 LEU A 92 27.678 4.551 -26.240 1.00 42.44 H new ATOM 0 HD13 LEU A 92 28.671 3.160 -25.743 1.00 42.44 H new ATOM 0 HD21 LEU A 92 30.896 4.850 -24.421 1.00 40.44 H new ATOM 0 HD22 LEU A 92 31.228 3.491 -25.521 1.00 40.44 H new ATOM 0 HD23 LEU A 92 31.905 5.100 -25.865 1.00 40.44 H new ATOM 1444 N GLU A 93 30.615 5.117 -30.849 1.00 64.42 N ATOM 1445 CA GLU A 93 30.721 4.629 -32.223 1.00 34.43 C ATOM 1446 C GLU A 93 30.359 5.717 -33.253 1.00 10.51 C ATOM 1447 O GLU A 93 29.197 6.107 -33.398 1.00 42.42 O ATOM 1448 CB GLU A 93 29.840 3.383 -32.413 1.00 33.45 C ATOM 1449 CG GLU A 93 28.393 3.564 -31.965 1.00 34.25 C ATOM 1450 CD GLU A 93 27.563 2.306 -32.158 1.00 54.50 C ATOM 1451 OE1 GLU A 93 27.019 2.111 -33.263 1.00 64.35 O ATOM 1452 OE2 GLU A 93 27.458 1.501 -31.209 1.00 61.21 O ATOM 0 H GLU A 93 29.948 5.878 -30.723 1.00 64.42 H new ATOM 0 HA GLU A 93 31.762 4.358 -32.398 1.00 34.43 H new ATOM 0 HB2 GLU A 93 29.850 3.103 -33.466 1.00 33.45 H new ATOM 0 HB3 GLU A 93 30.279 2.554 -31.858 1.00 33.45 H new ATOM 0 HG2 GLU A 93 28.375 3.850 -30.913 1.00 34.25 H new ATOM 0 HG3 GLU A 93 27.942 4.383 -32.526 1.00 34.25 H new ATOM 1459 N HIS A 94 31.372 6.214 -33.960 1.00 21.14 N ATOM 1460 CA HIS A 94 31.164 7.172 -35.050 1.00 2.25 C ATOM 1461 C HIS A 94 30.907 6.424 -36.364 1.00 3.42 C ATOM 1462 O HIS A 94 31.822 5.837 -36.941 1.00 42.14 O ATOM 1463 CB HIS A 94 32.387 8.089 -35.203 1.00 35.52 C ATOM 1464 CG HIS A 94 32.661 8.939 -33.998 1.00 72.02 C ATOM 1465 ND1 HIS A 94 32.202 10.230 -33.869 1.00 5.32 N ATOM 1466 CD2 HIS A 94 33.363 8.683 -32.870 1.00 14.43 C ATOM 1467 CE1 HIS A 94 32.603 10.728 -32.721 1.00 21.00 C ATOM 1468 NE2 HIS A 94 33.312 9.813 -32.091 1.00 14.30 N ATOM 0 H HIS A 94 32.349 5.970 -33.799 1.00 21.14 H new ATOM 0 HA HIS A 94 30.296 7.786 -34.810 1.00 2.25 H new ATOM 0 HB2 HIS A 94 33.265 7.477 -35.411 1.00 35.52 H new ATOM 0 HB3 HIS A 94 32.238 8.737 -36.067 1.00 35.52 H new ATOM 0 HD2 HIS A 94 33.870 7.761 -32.627 1.00 14.43 H new ATOM 0 HE1 HIS A 94 32.388 11.721 -32.355 1.00 21.00 H new ATOM 0 HE2 HIS A 94 33.750 9.925 -31.177 1.00 14.30 H new ATOM 1477 N HIS A 95 29.662 6.443 -36.836 1.00 64.33 N ATOM 1478 CA HIS A 95 29.291 5.704 -38.049 1.00 42.35 C ATOM 1479 C HIS A 95 29.866 6.371 -39.312 1.00 21.24 C ATOM 1480 O HIS A 95 29.139 6.978 -40.094 1.00 34.12 O ATOM 1481 CB HIS A 95 27.761 5.572 -38.157 1.00 3.33 C ATOM 1482 CG HIS A 95 27.130 4.817 -37.022 1.00 74.41 C ATOM 1483 ND1 HIS A 95 26.254 3.767 -37.206 1.00 14.45 N ATOM 1484 CD2 HIS A 95 27.234 4.975 -35.679 1.00 0.22 C ATOM 1485 CE1 HIS A 95 25.852 3.318 -36.036 1.00 12.11 C ATOM 1486 NE2 HIS A 95 26.429 4.029 -35.093 1.00 51.02 N ATOM 0 H HIS A 95 28.895 6.957 -36.403 1.00 64.33 H new ATOM 0 HA HIS A 95 29.722 4.706 -37.974 1.00 42.35 H new ATOM 0 HB2 HIS A 95 27.323 6.569 -38.204 1.00 3.33 H new ATOM 0 HB3 HIS A 95 27.515 5.071 -39.094 1.00 3.33 H new ATOM 0 HD2 HIS A 95 27.838 5.709 -35.166 1.00 0.22 H new ATOM 0 HE1 HIS A 95 25.163 2.502 -35.877 1.00 12.11 H new ATOM 0 HE2 HIS A 95 26.300 3.899 -34.090 1.00 51.02 H new ATOM 1495 N HIS A 96 31.182 6.248 -39.503 1.00 54.43 N ATOM 1496 CA HIS A 96 31.858 6.824 -40.677 1.00 74.13 C ATOM 1497 C HIS A 96 31.721 5.908 -41.909 1.00 53.35 C ATOM 1498 O HIS A 96 32.691 5.627 -42.614 1.00 41.13 O ATOM 1499 CB HIS A 96 33.338 7.104 -40.367 1.00 61.13 C ATOM 1500 CG HIS A 96 34.126 5.892 -39.958 1.00 32.54 C ATOM 1501 ND1 HIS A 96 34.761 5.066 -40.862 1.00 54.11 N ATOM 1502 CD2 HIS A 96 34.380 5.365 -38.734 1.00 52.44 C ATOM 1503 CE1 HIS A 96 35.368 4.091 -40.217 1.00 62.21 C ATOM 1504 NE2 HIS A 96 35.152 4.248 -38.928 1.00 41.41 N ATOM 0 H HIS A 96 31.804 5.755 -38.862 1.00 54.43 H new ATOM 0 HA HIS A 96 31.370 7.770 -40.912 1.00 74.13 H new ATOM 0 HB2 HIS A 96 33.804 7.545 -41.248 1.00 61.13 H new ATOM 0 HB3 HIS A 96 33.396 7.846 -39.571 1.00 61.13 H new ATOM 0 HD1 HIS A 96 34.761 5.191 -41.874 1.00 54.11 H new ATOM 0 HD2 HIS A 96 34.039 5.752 -37.785 1.00 52.44 H new ATOM 0 HE1 HIS A 96 35.945 3.298 -40.669 1.00 62.21 H new ATOM 1513 N HIS A 97 30.495 5.463 -42.161 1.00 44.11 N ATOM 1514 CA HIS A 97 30.181 4.605 -43.307 1.00 2.24 C ATOM 1515 C HIS A 97 28.763 4.896 -43.819 1.00 55.13 C ATOM 1516 O HIS A 97 27.853 5.134 -43.024 1.00 53.31 O ATOM 1517 CB HIS A 97 30.342 3.122 -42.939 1.00 42.33 C ATOM 1518 CG HIS A 97 29.707 2.733 -41.638 1.00 62.14 C ATOM 1519 ND1 HIS A 97 28.359 2.845 -41.383 1.00 14.32 N ATOM 1520 CD2 HIS A 97 30.253 2.214 -40.512 1.00 20.41 C ATOM 1521 CE1 HIS A 97 28.105 2.413 -40.164 1.00 64.31 C ATOM 1522 NE2 HIS A 97 29.235 2.025 -39.615 1.00 5.53 N ATOM 0 H HIS A 97 29.688 5.685 -41.579 1.00 44.11 H new ATOM 0 HA HIS A 97 30.885 4.827 -44.109 1.00 2.24 H new ATOM 0 HB2 HIS A 97 29.912 2.514 -43.735 1.00 42.33 H new ATOM 0 HB3 HIS A 97 31.405 2.885 -42.896 1.00 42.33 H new ATOM 0 HD1 HIS A 97 27.664 3.206 -42.036 1.00 14.32 H new ATOM 0 HD2 HIS A 97 31.297 1.991 -40.351 1.00 20.41 H new ATOM 0 HE1 HIS A 97 27.133 2.383 -39.695 1.00 64.31 H new ATOM 1531 N HIS A 98 28.587 4.880 -45.146 1.00 71.14 N ATOM 1532 CA HIS A 98 27.333 5.318 -45.791 1.00 4.05 C ATOM 1533 C HIS A 98 27.084 6.824 -45.566 1.00 4.54 C ATOM 1534 O HIS A 98 26.000 7.335 -45.857 1.00 24.54 O ATOM 1535 CB HIS A 98 26.127 4.502 -45.293 1.00 15.34 C ATOM 1536 CG HIS A 98 26.166 3.057 -45.689 1.00 21.24 C ATOM 1537 ND1 HIS A 98 25.347 2.520 -46.660 1.00 74.54 N ATOM 1538 CD2 HIS A 98 26.919 2.031 -45.233 1.00 50.54 C ATOM 1539 CE1 HIS A 98 25.597 1.234 -46.785 1.00 14.01 C ATOM 1540 NE2 HIS A 98 26.545 0.914 -45.933 1.00 33.12 N ATOM 0 H HIS A 98 29.301 4.566 -45.803 1.00 71.14 H new ATOM 0 HA HIS A 98 27.446 5.142 -46.861 1.00 4.05 H new ATOM 0 HB2 HIS A 98 26.079 4.570 -44.206 1.00 15.34 H new ATOM 0 HB3 HIS A 98 25.212 4.950 -45.681 1.00 15.34 H new ATOM 0 HD2 HIS A 98 27.673 2.082 -44.462 1.00 50.54 H new ATOM 0 HE1 HIS A 98 25.107 0.558 -47.470 1.00 14.01 H new ATOM 0 HE2 HIS A 98 26.940 -0.019 -45.812 1.00 33.12 H new ATOM 1549 N HIS A 99 28.117 7.517 -45.078 1.00 4.22 N ATOM 1550 CA HIS A 99 28.059 8.954 -44.761 1.00 54.34 C ATOM 1551 C HIS A 99 26.897 9.307 -43.798 1.00 14.21 C ATOM 1552 O HIS A 99 25.822 9.750 -44.269 1.00 37.60 O ATOM 1553 CB HIS A 99 27.972 9.785 -46.052 1.00 20.43 C ATOM 1554 CG HIS A 99 28.165 11.253 -45.825 1.00 71.22 C ATOM 1555 ND1 HIS A 99 27.146 12.090 -45.433 1.00 30.31 N ATOM 1556 CD2 HIS A 99 29.269 12.032 -45.924 1.00 64.23 C ATOM 1557 CE1 HIS A 99 27.610 13.313 -45.298 1.00 52.45 C ATOM 1558 NE2 HIS A 99 28.892 13.308 -45.589 1.00 30.21 N ATOM 1559 OXT HIS A 99 27.075 9.158 -42.569 1.00 37.60 O ATOM 0 H HIS A 99 29.027 7.096 -44.889 1.00 4.22 H new ATOM 0 HA HIS A 99 28.983 9.204 -44.239 1.00 54.34 H new ATOM 0 HB2 HIS A 99 28.726 9.431 -46.755 1.00 20.43 H new ATOM 0 HB3 HIS A 99 27.000 9.621 -46.517 1.00 20.43 H new ATOM 0 HD1 HIS A 99 26.180 11.806 -45.272 1.00 30.31 H new ATOM 0 HD2 HIS A 99 30.259 11.710 -46.212 1.00 64.23 H new ATOM 0 HE1 HIS A 99 27.035 14.176 -44.998 1.00 52.45 H new TER 1568 HIS A 99