USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 822 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0198 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -42:sc= 0.862 USER MOD Single : A 12 SER OG : rot 180:sc= -0.0477 USER MOD Single : A 14 TYR OH : rot 180:sc= -0.753 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 117:sc= 0.176 USER MOD Single : A 25 SER OG : rot -48:sc= 0.956 USER MOD Single : A 26 SER OG : rot 180:sc= -0.0142 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl -165:sc= -0.039 (180deg=-0.389) USER MOD Single : A 37 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot -19:sc= 0.749 USER MOD Single : A 44 THR OG1 : rot 4:sc= 0.586 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= -0.181 USER MOD Single : A 55 SER OG : rot -69:sc= -0.461! USER MOD Single : A 66 ASN :FLIP amide:sc= -0.371 F(o=-1.5,f=-0.37) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.312 K(o=-0.31,f=-2.2) USER MOD Single : A 78 GLN :FLIP amide:sc= -0.114 F(o=-0.67,f=-0.11) USER MOD Single : A 80 MET CE :methyl -138:sc= -3.03! (180deg=-4.32!) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= -0.0342 USER MOD Single : A 91 ASN :FLIP amide:sc= -0.211 F(o=-2.8!,f=-0.21) USER MOD Single : A 94 ASN :FLIP amide:sc= -0.67 F(o=-1.3!,f=-0.67) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.726 -1.445 18.986 1.00 7.92 N ATOM 2 CA GLY A 1 -11.529 -2.416 18.193 1.00 7.68 C ATOM 3 C GLY A 1 -12.408 -1.735 17.163 1.00 6.86 C ATOM 4 O GLY A 1 -13.469 -1.208 17.496 1.00 7.03 O ATOM 0 H1 GLY A 1 -10.142 -1.959 19.676 1.00 7.92 H new ATOM 0 H2 GLY A 1 -10.110 -0.901 18.348 1.00 7.92 H new ATOM 0 H3 GLY A 1 -11.364 -0.795 19.488 1.00 7.92 H new ATOM 0 HA2 GLY A 1 -10.858 -3.113 17.690 1.00 7.68 H new ATOM 0 HA3 GLY A 1 -12.152 -3.004 18.867 1.00 7.68 H new ATOM 10 N SER A 2 -11.967 -1.745 15.908 1.00 6.24 N ATOM 11 CA SER A 2 -12.723 -1.123 14.828 1.00 5.73 C ATOM 12 C SER A 2 -12.447 -1.818 13.499 1.00 4.62 C ATOM 13 O SER A 2 -13.371 -2.258 12.814 1.00 4.63 O ATOM 14 CB SER A 2 -12.372 0.363 14.722 1.00 6.38 C ATOM 15 OG SER A 2 -12.677 1.046 15.925 1.00 7.18 O ATOM 0 H SER A 2 -11.091 -2.177 15.615 1.00 6.24 H new ATOM 0 HA SER A 2 -13.784 -1.224 15.056 1.00 5.73 H new ATOM 0 HB2 SER A 2 -11.312 0.474 14.496 1.00 6.38 H new ATOM 0 HB3 SER A 2 -12.923 0.812 13.896 1.00 6.38 H new ATOM 0 HG SER A 2 -12.442 1.993 15.832 1.00 7.18 H new ATOM 21 N HIS A 3 -11.170 -1.915 13.141 1.00 4.05 N ATOM 22 CA HIS A 3 -10.772 -2.555 11.892 1.00 3.23 C ATOM 23 C HIS A 3 -10.505 -4.042 12.102 1.00 2.51 C ATOM 24 O HIS A 3 -9.391 -4.441 12.441 1.00 2.56 O ATOM 25 CB HIS A 3 -9.526 -1.874 11.323 1.00 3.35 C ATOM 26 CG HIS A 3 -9.714 -0.413 11.057 1.00 4.25 C ATOM 27 ND1 HIS A 3 -9.380 0.568 11.967 1.00 4.88 N ATOM 28 CD2 HIS A 3 -10.205 0.234 9.972 1.00 5.02 C ATOM 29 CE1 HIS A 3 -9.661 1.754 11.456 1.00 5.81 C ATOM 30 NE2 HIS A 3 -10.161 1.579 10.247 1.00 5.91 N ATOM 0 H HIS A 3 -10.394 -1.559 13.698 1.00 4.05 H new ATOM 0 HA HIS A 3 -11.592 -2.451 11.181 1.00 3.23 H new ATOM 0 HB2 HIS A 3 -8.699 -2.005 12.021 1.00 3.35 H new ATOM 0 HB3 HIS A 3 -9.242 -2.371 10.395 1.00 3.35 H new ATOM 0 HD2 HIS A 3 -10.564 -0.223 9.061 1.00 5.02 H new ATOM 0 HE1 HIS A 3 -9.508 2.705 11.945 1.00 5.81 H new ATOM 0 HE2 HIS A 3 -10.465 2.322 9.619 1.00 5.91 H new ATOM 39 N GLY A 4 -11.536 -4.857 11.897 1.00 2.45 N ATOM 40 CA GLY A 4 -11.394 -6.292 12.068 1.00 2.34 C ATOM 41 C GLY A 4 -12.297 -7.081 11.139 1.00 2.00 C ATOM 42 O GLY A 4 -13.401 -7.469 11.520 1.00 2.37 O ATOM 0 H GLY A 4 -12.467 -4.549 11.616 1.00 2.45 H new ATOM 0 HA2 GLY A 4 -10.357 -6.575 11.888 1.00 2.34 H new ATOM 0 HA3 GLY A 4 -11.622 -6.556 13.101 1.00 2.34 H new ATOM 46 N TYR A 5 -11.825 -7.315 9.918 1.00 1.70 N ATOM 47 CA TYR A 5 -12.593 -8.064 8.931 1.00 1.43 C ATOM 48 C TYR A 5 -11.938 -9.413 8.648 1.00 1.39 C ATOM 49 O TYR A 5 -10.773 -9.629 8.981 1.00 1.60 O ATOM 50 CB TYR A 5 -12.715 -7.265 7.632 1.00 1.42 C ATOM 51 CG TYR A 5 -13.339 -5.900 7.813 1.00 1.57 C ATOM 52 CD1 TYR A 5 -14.718 -5.747 7.869 1.00 1.63 C ATOM 53 CD2 TYR A 5 -12.547 -4.764 7.930 1.00 1.84 C ATOM 54 CE1 TYR A 5 -15.292 -4.501 8.036 1.00 1.86 C ATOM 55 CE2 TYR A 5 -13.114 -3.514 8.097 1.00 2.07 C ATOM 56 CZ TYR A 5 -14.485 -3.387 8.143 1.00 2.04 C ATOM 57 OH TYR A 5 -15.054 -2.147 8.318 1.00 2.33 O ATOM 0 H TYR A 5 -10.914 -6.996 9.589 1.00 1.70 H new ATOM 0 HA TYR A 5 -13.589 -8.237 9.337 1.00 1.43 H new ATOM 0 HB2 TYR A 5 -11.724 -7.146 7.195 1.00 1.42 H new ATOM 0 HB3 TYR A 5 -13.311 -7.835 6.920 1.00 1.42 H new ATOM 0 HD1 TYR A 5 -15.353 -6.616 7.781 1.00 1.63 H new ATOM 0 HD2 TYR A 5 -11.472 -4.859 7.890 1.00 1.84 H new ATOM 0 HE1 TYR A 5 -16.366 -4.400 8.082 1.00 1.86 H new ATOM 0 HE2 TYR A 5 -12.485 -2.641 8.191 1.00 2.07 H new ATOM 0 HH TYR A 5 -14.349 -1.469 8.376 1.00 2.33 H new ATOM 67 N SER A 6 -12.695 -10.317 8.033 1.00 1.46 N ATOM 68 CA SER A 6 -12.188 -11.644 7.705 1.00 1.51 C ATOM 69 C SER A 6 -12.827 -12.167 6.421 1.00 1.40 C ATOM 70 O SER A 6 -13.842 -12.863 6.461 1.00 1.78 O ATOM 71 CB SER A 6 -12.455 -12.616 8.856 1.00 1.86 C ATOM 72 OG SER A 6 -11.829 -12.178 10.049 1.00 2.59 O ATOM 0 H SER A 6 -13.662 -10.154 7.752 1.00 1.46 H new ATOM 0 HA SER A 6 -11.112 -11.567 7.549 1.00 1.51 H new ATOM 0 HB2 SER A 6 -13.529 -12.707 9.018 1.00 1.86 H new ATOM 0 HB3 SER A 6 -12.087 -13.607 8.592 1.00 1.86 H new ATOM 0 HG SER A 6 -12.016 -12.815 10.770 1.00 2.59 H new ATOM 78 N ASP A 7 -12.225 -11.824 5.285 1.00 1.22 N ATOM 79 CA ASP A 7 -12.730 -12.253 3.983 1.00 1.25 C ATOM 80 C ASP A 7 -14.188 -11.844 3.800 1.00 1.28 C ATOM 81 O ASP A 7 -15.102 -12.622 4.077 1.00 1.58 O ATOM 82 CB ASP A 7 -12.588 -13.769 3.829 1.00 1.48 C ATOM 83 CG ASP A 7 -11.145 -14.227 3.920 1.00 1.96 C ATOM 84 OD1 ASP A 7 -10.682 -14.509 5.045 1.00 2.67 O ATOM 85 OD2 ASP A 7 -10.480 -14.306 2.866 1.00 2.10 O ATOM 0 H ASP A 7 -11.384 -11.248 5.240 1.00 1.22 H new ATOM 0 HA ASP A 7 -12.136 -11.761 3.213 1.00 1.25 H new ATOM 0 HB2 ASP A 7 -13.174 -14.266 4.602 1.00 1.48 H new ATOM 0 HB3 ASP A 7 -13.003 -14.074 2.869 1.00 1.48 H new ATOM 90 N ALA A 8 -14.399 -10.617 3.332 1.00 1.14 N ATOM 91 CA ALA A 8 -15.746 -10.104 3.113 1.00 1.29 C ATOM 92 C ALA A 8 -15.901 -9.550 1.700 1.00 1.46 C ATOM 93 O ALA A 8 -15.470 -8.435 1.409 1.00 1.58 O ATOM 94 CB ALA A 8 -16.074 -9.032 4.142 1.00 1.28 C ATOM 0 H ALA A 8 -13.654 -9.961 3.098 1.00 1.14 H new ATOM 0 HA ALA A 8 -16.447 -10.931 3.228 1.00 1.29 H new ATOM 0 HB1 ALA A 8 -17.082 -8.657 3.968 1.00 1.28 H new ATOM 0 HB2 ALA A 8 -16.013 -9.458 5.143 1.00 1.28 H new ATOM 0 HB3 ALA A 8 -15.361 -8.212 4.053 1.00 1.28 H new ATOM 100 N SER A 9 -16.519 -10.343 0.827 1.00 1.63 N ATOM 101 CA SER A 9 -16.741 -9.939 -0.559 1.00 1.85 C ATOM 102 C SER A 9 -15.421 -9.613 -1.253 1.00 1.76 C ATOM 103 O SER A 9 -15.376 -8.800 -2.177 1.00 1.89 O ATOM 104 CB SER A 9 -17.677 -8.730 -0.616 1.00 2.01 C ATOM 105 OG SER A 9 -17.995 -8.390 -1.955 1.00 2.55 O ATOM 0 H SER A 9 -16.875 -11.271 1.056 1.00 1.63 H new ATOM 0 HA SER A 9 -17.206 -10.774 -1.084 1.00 1.85 H new ATOM 0 HB2 SER A 9 -18.592 -8.949 -0.067 1.00 2.01 H new ATOM 0 HB3 SER A 9 -17.206 -7.879 -0.124 1.00 2.01 H new ATOM 0 HG SER A 9 -17.187 -8.446 -2.507 1.00 2.55 H new ATOM 111 N GLY A 10 -14.347 -10.255 -0.800 1.00 1.58 N ATOM 112 CA GLY A 10 -13.040 -10.019 -1.385 1.00 1.55 C ATOM 113 C GLY A 10 -12.229 -9.010 -0.595 1.00 1.38 C ATOM 114 O GLY A 10 -11.067 -9.256 -0.271 1.00 1.82 O ATOM 0 H GLY A 10 -14.360 -10.934 -0.039 1.00 1.58 H new ATOM 0 HA2 GLY A 10 -12.493 -10.960 -1.438 1.00 1.55 H new ATOM 0 HA3 GLY A 10 -13.161 -9.663 -2.408 1.00 1.55 H new ATOM 118 N PHE A 11 -12.845 -7.873 -0.289 1.00 1.08 N ATOM 119 CA PHE A 11 -12.178 -6.822 0.472 1.00 0.90 C ATOM 120 C PHE A 11 -11.668 -7.361 1.803 1.00 0.71 C ATOM 121 O PHE A 11 -12.449 -7.612 2.723 1.00 0.83 O ATOM 122 CB PHE A 11 -13.129 -5.650 0.715 1.00 1.02 C ATOM 123 CG PHE A 11 -13.145 -4.649 -0.403 1.00 1.18 C ATOM 124 CD1 PHE A 11 -12.146 -3.696 -0.515 1.00 1.05 C ATOM 125 CD2 PHE A 11 -14.160 -4.665 -1.346 1.00 1.52 C ATOM 126 CE1 PHE A 11 -12.160 -2.776 -1.545 1.00 1.24 C ATOM 127 CE2 PHE A 11 -14.180 -3.748 -2.379 1.00 1.70 C ATOM 128 CZ PHE A 11 -13.170 -2.792 -2.470 1.00 1.55 C ATOM 0 H PHE A 11 -13.805 -7.655 -0.556 1.00 1.08 H new ATOM 0 HA PHE A 11 -11.327 -6.471 -0.112 1.00 0.90 H new ATOM 0 HB2 PHE A 11 -14.138 -6.036 0.861 1.00 1.02 H new ATOM 0 HB3 PHE A 11 -12.844 -5.146 1.639 1.00 1.02 H new ATOM 0 HD1 PHE A 11 -11.347 -3.672 0.211 1.00 1.05 H new ATOM 0 HD2 PHE A 11 -14.945 -5.403 -1.273 1.00 1.52 H new ATOM 0 HE1 PHE A 11 -11.372 -2.042 -1.621 1.00 1.24 H new ATOM 0 HE2 PHE A 11 -14.973 -3.772 -3.111 1.00 1.70 H new ATOM 0 HZ PHE A 11 -13.184 -2.065 -3.269 1.00 1.55 H new ATOM 138 N SER A 12 -10.356 -7.537 1.898 1.00 0.55 N ATOM 139 CA SER A 12 -9.747 -8.053 3.114 1.00 0.45 C ATOM 140 C SER A 12 -8.416 -7.368 3.403 1.00 0.39 C ATOM 141 O SER A 12 -7.783 -6.800 2.505 1.00 0.38 O ATOM 142 CB SER A 12 -9.536 -9.564 2.995 1.00 0.51 C ATOM 143 OG SER A 12 -8.935 -10.089 4.166 1.00 0.90 O ATOM 0 H SER A 12 -9.696 -7.330 1.149 1.00 0.55 H new ATOM 0 HA SER A 12 -10.424 -7.843 3.942 1.00 0.45 H new ATOM 0 HB2 SER A 12 -10.493 -10.056 2.822 1.00 0.51 H new ATOM 0 HB3 SER A 12 -8.907 -9.780 2.132 1.00 0.51 H new ATOM 0 HG SER A 12 -8.813 -11.056 4.065 1.00 0.90 H new ATOM 149 N LEU A 13 -8.006 -7.425 4.667 1.00 0.41 N ATOM 150 CA LEU A 13 -6.752 -6.828 5.105 1.00 0.40 C ATOM 151 C LEU A 13 -5.639 -7.869 5.077 1.00 0.45 C ATOM 152 O LEU A 13 -5.544 -8.708 5.972 1.00 0.68 O ATOM 153 CB LEU A 13 -6.900 -6.269 6.523 1.00 0.56 C ATOM 154 CG LEU A 13 -8.130 -5.390 6.753 1.00 0.63 C ATOM 155 CD1 LEU A 13 -8.385 -5.210 8.241 1.00 0.89 C ATOM 156 CD2 LEU A 13 -7.952 -4.042 6.077 1.00 0.79 C ATOM 0 H LEU A 13 -8.531 -7.884 5.411 1.00 0.41 H new ATOM 0 HA LEU A 13 -6.498 -6.014 4.426 1.00 0.40 H new ATOM 0 HB2 LEU A 13 -6.934 -7.104 7.223 1.00 0.56 H new ATOM 0 HB3 LEU A 13 -6.009 -5.688 6.762 1.00 0.56 H new ATOM 0 HG LEU A 13 -8.996 -5.885 6.313 1.00 0.63 H new ATOM 0 HD11 LEU A 13 -9.264 -4.582 8.386 1.00 0.89 H new ATOM 0 HD12 LEU A 13 -8.555 -6.183 8.701 1.00 0.89 H new ATOM 0 HD13 LEU A 13 -7.520 -4.736 8.704 1.00 0.89 H new ATOM 0 HD21 LEU A 13 -8.836 -3.428 6.250 1.00 0.79 H new ATOM 0 HD22 LEU A 13 -7.076 -3.541 6.489 1.00 0.79 H new ATOM 0 HD23 LEU A 13 -7.816 -4.188 5.005 1.00 0.79 H new ATOM 168 N TYR A 14 -4.801 -7.816 4.047 1.00 0.36 N ATOM 169 CA TYR A 14 -3.706 -8.769 3.911 1.00 0.50 C ATOM 170 C TYR A 14 -2.360 -8.054 3.846 1.00 0.31 C ATOM 171 O TYR A 14 -2.261 -6.937 3.339 1.00 0.37 O ATOM 172 CB TYR A 14 -3.912 -9.637 2.668 1.00 0.80 C ATOM 173 CG TYR A 14 -3.839 -8.871 1.365 1.00 0.68 C ATOM 174 CD1 TYR A 14 -4.939 -8.164 0.898 1.00 0.71 C ATOM 175 CD2 TYR A 14 -2.674 -8.851 0.604 1.00 1.20 C ATOM 176 CE1 TYR A 14 -4.885 -7.460 -0.289 1.00 1.34 C ATOM 177 CE2 TYR A 14 -2.613 -8.150 -0.583 1.00 1.90 C ATOM 178 CZ TYR A 14 -3.690 -7.469 -1.031 1.00 1.98 C ATOM 179 OH TYR A 14 -3.663 -6.757 -2.208 1.00 2.73 O ATOM 0 H TYR A 14 -4.859 -7.127 3.298 1.00 0.36 H new ATOM 0 HA TYR A 14 -3.702 -9.411 4.792 1.00 0.50 H new ATOM 0 HB2 TYR A 14 -3.158 -10.424 2.658 1.00 0.80 H new ATOM 0 HB3 TYR A 14 -4.883 -10.127 2.736 1.00 0.80 H new ATOM 0 HD1 TYR A 14 -5.853 -8.165 1.473 1.00 0.71 H new ATOM 0 HD2 TYR A 14 -1.805 -9.392 0.948 1.00 1.20 H new ATOM 0 HE1 TYR A 14 -5.746 -6.912 -0.642 1.00 1.34 H new ATOM 0 HE2 TYR A 14 -1.698 -8.146 -1.157 1.00 1.90 H new ATOM 0 HH TYR A 14 -2.779 -6.844 -2.623 1.00 2.73 H new ATOM 189 N SER A 15 -1.326 -8.708 4.365 1.00 0.43 N ATOM 190 CA SER A 15 0.015 -8.133 4.373 1.00 0.38 C ATOM 191 C SER A 15 0.952 -8.910 3.455 1.00 0.33 C ATOM 192 O SER A 15 0.823 -10.125 3.301 1.00 0.41 O ATOM 193 CB SER A 15 0.576 -8.121 5.796 1.00 0.59 C ATOM 194 OG SER A 15 0.655 -9.434 6.326 1.00 1.19 O ATOM 0 H SER A 15 -1.390 -9.635 4.785 1.00 0.43 H new ATOM 0 HA SER A 15 -0.056 -7.110 4.004 1.00 0.38 H new ATOM 0 HB2 SER A 15 1.566 -7.666 5.796 1.00 0.59 H new ATOM 0 HB3 SER A 15 -0.058 -7.505 6.435 1.00 0.59 H new ATOM 0 HG SER A 15 1.018 -9.398 7.236 1.00 1.19 H new ATOM 200 N VAL A 16 1.897 -8.199 2.846 1.00 0.32 N ATOM 201 CA VAL A 16 2.862 -8.818 1.946 1.00 0.33 C ATOM 202 C VAL A 16 4.284 -8.601 2.451 1.00 0.31 C ATOM 203 O VAL A 16 4.645 -7.498 2.861 1.00 0.44 O ATOM 204 CB VAL A 16 2.743 -8.253 0.518 1.00 0.44 C ATOM 205 CG1 VAL A 16 3.583 -9.070 -0.451 1.00 0.53 C ATOM 206 CG2 VAL A 16 1.288 -8.220 0.075 1.00 0.56 C ATOM 0 H VAL A 16 2.014 -7.192 2.961 1.00 0.32 H new ATOM 0 HA VAL A 16 2.641 -9.885 1.921 1.00 0.33 H new ATOM 0 HB VAL A 16 3.121 -7.231 0.520 1.00 0.44 H new ATOM 0 HG11 VAL A 16 3.486 -8.656 -1.455 1.00 0.53 H new ATOM 0 HG12 VAL A 16 4.628 -9.037 -0.144 1.00 0.53 H new ATOM 0 HG13 VAL A 16 3.237 -10.104 -0.450 1.00 0.53 H new ATOM 0 HG21 VAL A 16 1.225 -7.818 -0.936 1.00 0.56 H new ATOM 0 HG22 VAL A 16 0.880 -9.231 0.090 1.00 0.56 H new ATOM 0 HG23 VAL A 16 0.715 -7.588 0.754 1.00 0.56 H new ATOM 216 N GLU A 17 5.088 -9.659 2.421 1.00 0.33 N ATOM 217 CA GLU A 17 6.468 -9.578 2.888 1.00 0.34 C ATOM 218 C GLU A 17 7.427 -9.240 1.751 1.00 0.32 C ATOM 219 O GLU A 17 7.647 -10.048 0.847 1.00 0.38 O ATOM 220 CB GLU A 17 6.884 -10.893 3.545 1.00 0.45 C ATOM 221 CG GLU A 17 6.099 -11.218 4.805 1.00 0.71 C ATOM 222 CD GLU A 17 6.539 -12.520 5.443 1.00 1.18 C ATOM 223 OE1 GLU A 17 5.974 -13.576 5.087 1.00 1.42 O ATOM 224 OE2 GLU A 17 7.449 -12.485 6.298 1.00 1.74 O ATOM 0 H GLU A 17 4.810 -10.579 2.080 1.00 0.33 H new ATOM 0 HA GLU A 17 6.520 -8.775 3.623 1.00 0.34 H new ATOM 0 HB2 GLU A 17 6.756 -11.704 2.828 1.00 0.45 H new ATOM 0 HB3 GLU A 17 7.945 -10.848 3.790 1.00 0.45 H new ATOM 0 HG2 GLU A 17 6.218 -10.407 5.523 1.00 0.71 H new ATOM 0 HG3 GLU A 17 5.038 -11.276 4.563 1.00 0.71 H new ATOM 231 N LEU A 18 7.995 -8.040 1.807 1.00 0.31 N ATOM 232 CA LEU A 18 8.947 -7.589 0.799 1.00 0.34 C ATOM 233 C LEU A 18 10.316 -7.366 1.431 1.00 0.38 C ATOM 234 O LEU A 18 10.441 -7.321 2.654 1.00 0.68 O ATOM 235 CB LEU A 18 8.459 -6.300 0.132 1.00 0.40 C ATOM 236 CG LEU A 18 7.726 -6.487 -1.200 1.00 0.46 C ATOM 237 CD1 LEU A 18 8.648 -7.116 -2.235 1.00 0.81 C ATOM 238 CD2 LEU A 18 6.478 -7.336 -1.014 1.00 0.71 C ATOM 0 H LEU A 18 7.811 -7.359 2.544 1.00 0.31 H new ATOM 0 HA LEU A 18 9.031 -8.362 0.035 1.00 0.34 H new ATOM 0 HB2 LEU A 18 7.794 -5.782 0.824 1.00 0.40 H new ATOM 0 HB3 LEU A 18 9.317 -5.649 -0.033 1.00 0.40 H new ATOM 0 HG LEU A 18 7.421 -5.505 -1.561 1.00 0.46 H new ATOM 0 HD11 LEU A 18 8.109 -7.241 -3.174 1.00 0.81 H new ATOM 0 HD12 LEU A 18 9.511 -6.469 -2.395 1.00 0.81 H new ATOM 0 HD13 LEU A 18 8.985 -8.089 -1.878 1.00 0.81 H new ATOM 0 HD21 LEU A 18 5.973 -7.456 -1.973 1.00 0.71 H new ATOM 0 HD22 LEU A 18 6.759 -8.315 -0.627 1.00 0.71 H new ATOM 0 HD23 LEU A 18 5.806 -6.846 -0.309 1.00 0.71 H new ATOM 250 N PHE A 19 11.340 -7.231 0.596 1.00 0.41 N ATOM 251 CA PHE A 19 12.695 -7.019 1.094 1.00 0.43 C ATOM 252 C PHE A 19 13.552 -6.275 0.077 1.00 0.49 C ATOM 253 O PHE A 19 13.507 -6.566 -1.118 1.00 0.59 O ATOM 254 CB PHE A 19 13.346 -8.360 1.444 1.00 0.48 C ATOM 255 CG PHE A 19 13.354 -9.344 0.308 1.00 0.82 C ATOM 256 CD1 PHE A 19 12.270 -10.179 0.088 1.00 0.74 C ATOM 257 CD2 PHE A 19 14.446 -9.434 -0.541 1.00 1.50 C ATOM 258 CE1 PHE A 19 12.275 -11.085 -0.955 1.00 1.25 C ATOM 259 CE2 PHE A 19 14.457 -10.338 -1.586 1.00 2.08 C ATOM 260 CZ PHE A 19 13.369 -11.164 -1.793 1.00 1.94 C ATOM 0 H PHE A 19 11.260 -7.264 -0.420 1.00 0.41 H new ATOM 0 HA PHE A 19 12.627 -6.405 1.992 1.00 0.43 H new ATOM 0 HB2 PHE A 19 14.372 -8.182 1.766 1.00 0.48 H new ATOM 0 HB3 PHE A 19 12.818 -8.800 2.290 1.00 0.48 H new ATOM 0 HD1 PHE A 19 11.411 -10.121 0.740 1.00 0.74 H new ATOM 0 HD2 PHE A 19 15.298 -8.790 -0.384 1.00 1.50 H new ATOM 0 HE1 PHE A 19 11.424 -11.731 -1.114 1.00 1.25 H new ATOM 0 HE2 PHE A 19 15.315 -10.399 -2.240 1.00 2.08 H new ATOM 0 HZ PHE A 19 13.374 -11.871 -2.610 1.00 1.94 H new ATOM 270 N ARG A 20 14.330 -5.307 0.560 1.00 0.52 N ATOM 271 CA ARG A 20 15.207 -4.533 -0.312 1.00 0.66 C ATOM 272 C ARG A 20 16.660 -4.666 0.133 1.00 0.68 C ATOM 273 O ARG A 20 16.952 -4.679 1.328 1.00 0.83 O ATOM 274 CB ARG A 20 14.788 -3.060 -0.326 1.00 0.73 C ATOM 275 CG ARG A 20 15.576 -2.216 -1.317 1.00 0.99 C ATOM 276 CD ARG A 20 14.868 -0.907 -1.629 1.00 1.19 C ATOM 277 NE ARG A 20 14.668 -0.089 -0.437 1.00 1.60 N ATOM 278 CZ ARG A 20 14.622 1.240 -0.454 1.00 2.26 C ATOM 279 NH1 ARG A 20 14.758 1.896 -1.599 1.00 2.52 N ATOM 280 NH2 ARG A 20 14.435 1.913 0.672 1.00 3.06 N ATOM 0 H ARG A 20 14.370 -5.043 1.544 1.00 0.52 H new ATOM 0 HA ARG A 20 15.118 -4.929 -1.324 1.00 0.66 H new ATOM 0 HB2 ARG A 20 13.727 -2.994 -0.567 1.00 0.73 H new ATOM 0 HB3 ARG A 20 14.914 -2.645 0.674 1.00 0.73 H new ATOM 0 HG2 ARG A 20 16.565 -2.007 -0.911 1.00 0.99 H new ATOM 0 HG3 ARG A 20 15.723 -2.779 -2.239 1.00 0.99 H new ATOM 0 HD2 ARG A 20 15.451 -0.346 -2.359 1.00 1.19 H new ATOM 0 HD3 ARG A 20 13.902 -1.119 -2.088 1.00 1.19 H new ATOM 0 HE ARG A 20 14.557 -0.563 0.459 1.00 1.60 H new ATOM 0 HH11 ARG A 20 14.898 1.381 -2.468 1.00 2.52 H new ATOM 0 HH12 ARG A 20 14.722 2.915 -1.610 1.00 2.52 H new ATOM 0 HH21 ARG A 20 14.326 1.412 1.554 1.00 3.06 H new ATOM 0 HH22 ARG A 20 14.400 2.932 0.657 1.00 3.06 H new ATOM 294 N GLU A 21 17.567 -4.773 -0.834 1.00 0.82 N ATOM 295 CA GLU A 21 18.990 -4.907 -0.532 1.00 0.93 C ATOM 296 C GLU A 21 19.850 -4.540 -1.738 1.00 1.16 C ATOM 297 O GLU A 21 20.979 -5.015 -1.875 1.00 1.57 O ATOM 298 CB GLU A 21 19.304 -6.335 -0.079 1.00 1.09 C ATOM 299 CG GLU A 21 18.903 -7.399 -1.088 1.00 1.62 C ATOM 300 CD GLU A 21 19.275 -8.798 -0.639 1.00 2.00 C ATOM 301 OE1 GLU A 21 18.509 -9.393 0.147 1.00 2.58 O ATOM 302 OE2 GLU A 21 20.335 -9.298 -1.073 1.00 2.21 O ATOM 0 H GLU A 21 17.344 -4.770 -1.829 1.00 0.82 H new ATOM 0 HA GLU A 21 19.227 -4.215 0.276 1.00 0.93 H new ATOM 0 HB2 GLU A 21 20.373 -6.418 0.117 1.00 1.09 H new ATOM 0 HB3 GLU A 21 18.791 -6.529 0.863 1.00 1.09 H new ATOM 0 HG2 GLU A 21 17.827 -7.349 -1.255 1.00 1.62 H new ATOM 0 HG3 GLU A 21 19.384 -7.188 -2.043 1.00 1.62 H new ATOM 309 N LYS A 22 19.312 -3.693 -2.610 1.00 1.11 N ATOM 310 CA LYS A 22 20.035 -3.256 -3.801 1.00 1.40 C ATOM 311 C LYS A 22 20.146 -1.735 -3.837 1.00 1.31 C ATOM 312 O LYS A 22 19.451 -1.036 -3.099 1.00 1.38 O ATOM 313 CB LYS A 22 19.334 -3.756 -5.067 1.00 1.65 C ATOM 314 CG LYS A 22 19.316 -5.271 -5.200 1.00 2.00 C ATOM 315 CD LYS A 22 20.722 -5.840 -5.331 1.00 2.54 C ATOM 316 CE LYS A 22 20.703 -7.356 -5.423 1.00 3.05 C ATOM 317 NZ LYS A 22 22.072 -7.921 -5.584 1.00 3.72 N ATOM 0 H LYS A 22 18.378 -3.295 -2.515 1.00 1.11 H new ATOM 0 HA LYS A 22 21.039 -3.679 -3.761 1.00 1.40 H new ATOM 0 HB2 LYS A 22 18.308 -3.388 -5.073 1.00 1.65 H new ATOM 0 HB3 LYS A 22 19.831 -3.330 -5.939 1.00 1.65 H new ATOM 0 HG2 LYS A 22 18.826 -5.707 -4.329 1.00 2.00 H new ATOM 0 HG3 LYS A 22 18.726 -5.553 -6.072 1.00 2.00 H new ATOM 0 HD2 LYS A 22 21.202 -5.427 -6.218 1.00 2.54 H new ATOM 0 HD3 LYS A 22 21.321 -5.534 -4.473 1.00 2.54 H new ATOM 0 HE2 LYS A 22 20.244 -7.768 -4.525 1.00 3.05 H new ATOM 0 HE3 LYS A 22 20.083 -7.661 -6.266 1.00 3.05 H new ATOM 0 HZ1 LYS A 22 22.015 -8.958 -5.643 1.00 3.72 H new ATOM 0 HZ2 LYS A 22 22.501 -7.548 -6.455 1.00 3.72 H new ATOM 0 HZ3 LYS A 22 22.657 -7.652 -4.767 1.00 3.72 H new ATOM 331 N ASP A 23 21.026 -1.230 -4.696 1.00 1.46 N ATOM 332 CA ASP A 23 21.224 0.208 -4.822 1.00 1.51 C ATOM 333 C ASP A 23 20.269 0.798 -5.856 1.00 1.31 C ATOM 334 O ASP A 23 20.679 1.167 -6.957 1.00 1.58 O ATOM 335 CB ASP A 23 22.673 0.515 -5.209 1.00 1.91 C ATOM 336 CG ASP A 23 22.980 1.999 -5.168 1.00 2.29 C ATOM 337 OD1 ASP A 23 22.723 2.686 -6.179 1.00 2.87 O ATOM 338 OD2 ASP A 23 23.478 2.476 -4.126 1.00 2.58 O ATOM 0 H ASP A 23 21.611 -1.794 -5.313 1.00 1.46 H new ATOM 0 HA ASP A 23 21.012 0.666 -3.856 1.00 1.51 H new ATOM 0 HB2 ASP A 23 23.346 -0.011 -4.532 1.00 1.91 H new ATOM 0 HB3 ASP A 23 22.867 0.134 -6.212 1.00 1.91 H new ATOM 343 N THR A 24 18.993 0.877 -5.494 1.00 1.02 N ATOM 344 CA THR A 24 17.977 1.422 -6.387 1.00 0.98 C ATOM 345 C THR A 24 17.231 2.575 -5.726 1.00 1.01 C ATOM 346 O THR A 24 16.680 3.443 -6.403 1.00 1.16 O ATOM 347 CB THR A 24 16.961 0.344 -6.812 1.00 1.17 C ATOM 348 OG1 THR A 24 16.202 -0.088 -5.676 1.00 1.38 O ATOM 349 CG2 THR A 24 17.669 -0.849 -7.437 1.00 1.19 C ATOM 0 H THR A 24 18.638 0.570 -4.588 1.00 1.02 H new ATOM 0 HA THR A 24 18.497 1.786 -7.273 1.00 0.98 H new ATOM 0 HB THR A 24 16.291 0.779 -7.553 1.00 1.17 H new ATOM 0 HG1 THR A 24 15.256 0.129 -5.813 1.00 1.38 H new ATOM 0 HG21 THR A 24 16.932 -1.597 -7.729 1.00 1.19 H new ATOM 0 HG22 THR A 24 18.224 -0.523 -8.317 1.00 1.19 H new ATOM 0 HG23 THR A 24 18.359 -1.283 -6.713 1.00 1.19 H new ATOM 357 N SER A 25 17.217 2.568 -4.393 1.00 1.05 N ATOM 358 CA SER A 25 16.549 3.609 -3.618 1.00 1.35 C ATOM 359 C SER A 25 15.067 3.695 -3.972 1.00 1.17 C ATOM 360 O SER A 25 14.434 4.734 -3.780 1.00 1.39 O ATOM 361 CB SER A 25 17.225 4.962 -3.851 1.00 1.79 C ATOM 362 OG SER A 25 16.656 5.967 -3.029 1.00 2.45 O ATOM 0 H SER A 25 17.664 1.847 -3.826 1.00 1.05 H new ATOM 0 HA SER A 25 16.632 3.347 -2.563 1.00 1.35 H new ATOM 0 HB2 SER A 25 18.292 4.879 -3.643 1.00 1.79 H new ATOM 0 HB3 SER A 25 17.125 5.246 -4.899 1.00 1.79 H new ATOM 0 HG SER A 25 15.679 5.929 -3.095 1.00 2.45 H new ATOM 368 N SER A 26 14.518 2.599 -4.483 1.00 0.84 N ATOM 369 CA SER A 26 13.111 2.556 -4.863 1.00 0.72 C ATOM 370 C SER A 26 12.552 1.143 -4.738 1.00 0.58 C ATOM 371 O SER A 26 13.192 0.172 -5.142 1.00 0.69 O ATOM 372 CB SER A 26 12.931 3.060 -6.296 1.00 0.81 C ATOM 373 OG SER A 26 13.374 4.400 -6.427 1.00 1.40 O ATOM 0 H SER A 26 15.025 1.729 -4.644 1.00 0.84 H new ATOM 0 HA SER A 26 12.561 3.206 -4.183 1.00 0.72 H new ATOM 0 HB2 SER A 26 13.488 2.421 -6.982 1.00 0.81 H new ATOM 0 HB3 SER A 26 11.881 2.992 -6.579 1.00 0.81 H new ATOM 0 HG SER A 26 13.249 4.697 -7.353 1.00 1.40 H new ATOM 379 N LEU A 27 11.353 1.038 -4.173 1.00 0.42 N ATOM 380 CA LEU A 27 10.697 -0.252 -3.996 1.00 0.32 C ATOM 381 C LEU A 27 9.707 -0.510 -5.126 1.00 0.29 C ATOM 382 O LEU A 27 9.217 -1.626 -5.294 1.00 0.41 O ATOM 383 CB LEU A 27 9.975 -0.299 -2.648 1.00 0.35 C ATOM 384 CG LEU A 27 10.881 -0.509 -1.432 1.00 0.38 C ATOM 385 CD1 LEU A 27 10.117 -0.253 -0.143 1.00 0.45 C ATOM 386 CD2 LEU A 27 11.454 -1.919 -1.435 1.00 0.43 C ATOM 0 H LEU A 27 10.815 1.834 -3.829 1.00 0.42 H new ATOM 0 HA LEU A 27 11.460 -1.030 -4.017 1.00 0.32 H new ATOM 0 HB2 LEU A 27 9.425 0.633 -2.515 1.00 0.35 H new ATOM 0 HB3 LEU A 27 9.239 -1.102 -2.676 1.00 0.35 H new ATOM 0 HG LEU A 27 11.704 0.203 -1.491 1.00 0.38 H new ATOM 0 HD11 LEU A 27 10.779 -0.408 0.709 1.00 0.45 H new ATOM 0 HD12 LEU A 27 9.750 0.773 -0.136 1.00 0.45 H new ATOM 0 HD13 LEU A 27 9.274 -0.941 -0.077 1.00 0.45 H new ATOM 0 HD21 LEU A 27 12.096 -2.053 -0.564 1.00 0.43 H new ATOM 0 HD22 LEU A 27 10.640 -2.643 -1.400 1.00 0.43 H new ATOM 0 HD23 LEU A 27 12.037 -2.073 -2.343 1.00 0.43 H new ATOM 398 N GLY A 28 9.421 0.532 -5.899 1.00 0.29 N ATOM 399 CA GLY A 28 8.493 0.404 -7.007 1.00 0.31 C ATOM 400 C GLY A 28 7.075 0.756 -6.618 1.00 0.29 C ATOM 401 O GLY A 28 6.123 0.356 -7.288 1.00 0.52 O ATOM 0 H GLY A 28 9.816 1.464 -5.778 1.00 0.29 H new ATOM 0 HA2 GLY A 28 8.814 1.052 -7.822 1.00 0.31 H new ATOM 0 HA3 GLY A 28 8.520 -0.619 -7.383 1.00 0.31 H new ATOM 405 N ILE A 29 6.935 1.507 -5.530 1.00 0.35 N ATOM 406 CA ILE A 29 5.626 1.919 -5.045 1.00 0.32 C ATOM 407 C ILE A 29 5.297 3.340 -5.494 1.00 0.30 C ATOM 408 O ILE A 29 5.928 4.300 -5.054 1.00 0.35 O ATOM 409 CB ILE A 29 5.554 1.846 -3.507 1.00 0.37 C ATOM 410 CG1 ILE A 29 5.872 0.426 -3.031 1.00 0.46 C ATOM 411 CG2 ILE A 29 4.180 2.283 -3.017 1.00 0.36 C ATOM 412 CD1 ILE A 29 6.030 0.309 -1.529 1.00 0.84 C ATOM 0 H ILE A 29 7.716 1.843 -4.967 1.00 0.35 H new ATOM 0 HA ILE A 29 4.896 1.230 -5.470 1.00 0.32 H new ATOM 0 HB ILE A 29 6.296 2.526 -3.089 1.00 0.37 H new ATOM 0 HG12 ILE A 29 5.076 -0.244 -3.357 1.00 0.46 H new ATOM 0 HG13 ILE A 29 6.790 0.088 -3.512 1.00 0.46 H new ATOM 0 HG21 ILE A 29 4.146 2.225 -1.929 1.00 0.36 H new ATOM 0 HG22 ILE A 29 3.991 3.309 -3.332 1.00 0.36 H new ATOM 0 HG23 ILE A 29 3.418 1.628 -3.439 1.00 0.36 H new ATOM 0 HD11 ILE A 29 6.254 -0.725 -1.266 1.00 0.84 H new ATOM 0 HD12 ILE A 29 6.845 0.952 -1.198 1.00 0.84 H new ATOM 0 HD13 ILE A 29 5.105 0.615 -1.041 1.00 0.84 H new ATOM 424 N SER A 30 4.309 3.463 -6.374 1.00 0.27 N ATOM 425 CA SER A 30 3.895 4.767 -6.882 1.00 0.29 C ATOM 426 C SER A 30 2.483 5.108 -6.415 1.00 0.28 C ATOM 427 O SER A 30 1.500 4.648 -6.995 1.00 0.35 O ATOM 428 CB SER A 30 3.957 4.788 -8.409 1.00 0.33 C ATOM 429 OG SER A 30 5.283 4.592 -8.871 1.00 0.95 O ATOM 0 H SER A 30 3.780 2.676 -6.750 1.00 0.27 H new ATOM 0 HA SER A 30 4.581 5.516 -6.488 1.00 0.29 H new ATOM 0 HB2 SER A 30 3.310 4.009 -8.813 1.00 0.33 H new ATOM 0 HB3 SER A 30 3.578 5.741 -8.778 1.00 0.33 H new ATOM 0 HG SER A 30 5.294 4.608 -9.851 1.00 0.95 H new ATOM 435 N ILE A 31 2.392 5.916 -5.362 1.00 0.25 N ATOM 436 CA ILE A 31 1.100 6.316 -4.815 1.00 0.27 C ATOM 437 C ILE A 31 0.605 7.613 -5.449 1.00 0.31 C ATOM 438 O ILE A 31 1.361 8.318 -6.120 1.00 0.41 O ATOM 439 CB ILE A 31 1.172 6.499 -3.287 1.00 0.29 C ATOM 440 CG1 ILE A 31 2.273 7.497 -2.920 1.00 0.31 C ATOM 441 CG2 ILE A 31 1.411 5.156 -2.609 1.00 0.35 C ATOM 442 CD1 ILE A 31 2.307 7.857 -1.449 1.00 0.39 C ATOM 0 H ILE A 31 3.197 6.306 -4.871 1.00 0.25 H new ATOM 0 HA ILE A 31 0.399 5.515 -5.047 1.00 0.27 H new ATOM 0 HB ILE A 31 0.221 6.899 -2.935 1.00 0.29 H new ATOM 0 HG12 ILE A 31 3.239 7.079 -3.205 1.00 0.31 H new ATOM 0 HG13 ILE A 31 2.135 8.407 -3.504 1.00 0.31 H new ATOM 0 HG21 ILE A 31 1.460 5.297 -1.529 1.00 0.35 H new ATOM 0 HG22 ILE A 31 0.593 4.476 -2.849 1.00 0.35 H new ATOM 0 HG23 ILE A 31 2.351 4.732 -2.963 1.00 0.35 H new ATOM 0 HD11 ILE A 31 3.113 8.568 -1.267 1.00 0.39 H new ATOM 0 HD12 ILE A 31 1.356 8.305 -1.162 1.00 0.39 H new ATOM 0 HD13 ILE A 31 2.477 6.957 -0.858 1.00 0.39 H new ATOM 454 N SER A 32 -0.670 7.920 -5.230 1.00 0.37 N ATOM 455 CA SER A 32 -1.276 9.130 -5.776 1.00 0.44 C ATOM 456 C SER A 32 -2.345 9.670 -4.831 1.00 0.55 C ATOM 457 O SER A 32 -2.941 8.919 -4.059 1.00 0.59 O ATOM 458 CB SER A 32 -1.891 8.841 -7.146 1.00 0.48 C ATOM 459 OG SER A 32 -2.470 10.009 -7.701 1.00 1.32 O ATOM 0 H SER A 32 -1.305 7.345 -4.676 1.00 0.37 H new ATOM 0 HA SER A 32 -0.496 9.883 -5.887 1.00 0.44 H new ATOM 0 HB2 SER A 32 -1.124 8.456 -7.819 1.00 0.48 H new ATOM 0 HB3 SER A 32 -2.650 8.065 -7.051 1.00 0.48 H new ATOM 0 HG SER A 32 -2.855 9.799 -8.577 1.00 1.32 H new ATOM 465 N GLY A 33 -2.582 10.977 -4.898 1.00 0.70 N ATOM 466 CA GLY A 33 -3.579 11.595 -4.043 1.00 0.87 C ATOM 467 C GLY A 33 -4.859 11.922 -4.786 1.00 0.88 C ATOM 468 O GLY A 33 -4.828 12.258 -5.971 1.00 0.95 O ATOM 0 H GLY A 33 -2.101 11.618 -5.529 1.00 0.70 H new ATOM 0 HA2 GLY A 33 -3.806 10.926 -3.213 1.00 0.87 H new ATOM 0 HA3 GLY A 33 -3.168 12.509 -3.614 1.00 0.87 H new ATOM 472 N MET A 34 -5.987 11.822 -4.091 1.00 1.12 N ATOM 473 CA MET A 34 -7.283 12.112 -4.694 1.00 1.25 C ATOM 474 C MET A 34 -7.558 13.613 -4.688 1.00 1.38 C ATOM 475 O MET A 34 -7.232 14.309 -3.726 1.00 1.63 O ATOM 476 CB MET A 34 -8.396 11.375 -3.946 1.00 1.56 C ATOM 477 CG MET A 34 -8.262 9.862 -3.992 1.00 1.77 C ATOM 478 SD MET A 34 -9.691 9.015 -3.289 1.00 2.04 S ATOM 479 CE MET A 34 -9.644 9.607 -1.599 1.00 1.98 C ATOM 0 H MET A 34 -6.030 11.543 -3.111 1.00 1.12 H new ATOM 0 HA MET A 34 -7.261 11.766 -5.727 1.00 1.25 H new ATOM 0 HB2 MET A 34 -8.400 11.700 -2.905 1.00 1.56 H new ATOM 0 HB3 MET A 34 -9.358 11.659 -4.372 1.00 1.56 H new ATOM 0 HG2 MET A 34 -8.129 9.544 -5.026 1.00 1.77 H new ATOM 0 HG3 MET A 34 -7.365 9.564 -3.449 1.00 1.77 H new ATOM 0 HE1 MET A 34 -10.286 8.983 -0.977 1.00 1.98 H new ATOM 0 HE2 MET A 34 -8.621 9.561 -1.226 1.00 1.98 H new ATOM 0 HE3 MET A 34 -9.997 10.638 -1.565 1.00 1.98 H new ATOM 489 N ARG A 35 -8.159 14.105 -5.767 1.00 1.52 N ATOM 490 CA ARG A 35 -8.477 15.523 -5.886 1.00 1.79 C ATOM 491 C ARG A 35 -9.926 15.793 -5.489 1.00 2.00 C ATOM 492 O ARG A 35 -10.812 15.854 -6.341 1.00 2.40 O ATOM 493 CB ARG A 35 -8.229 16.012 -7.317 1.00 2.21 C ATOM 494 CG ARG A 35 -6.756 16.147 -7.678 1.00 2.56 C ATOM 495 CD ARG A 35 -6.079 14.792 -7.814 1.00 2.88 C ATOM 496 NE ARG A 35 -6.693 13.975 -8.857 1.00 3.69 N ATOM 497 CZ ARG A 35 -6.177 12.832 -9.298 1.00 4.52 C ATOM 498 NH1 ARG A 35 -5.039 12.374 -8.791 1.00 4.68 N ATOM 499 NH2 ARG A 35 -6.798 12.147 -10.249 1.00 5.46 N ATOM 0 H ARG A 35 -8.435 13.542 -6.571 1.00 1.52 H new ATOM 0 HA ARG A 35 -7.824 16.070 -5.206 1.00 1.79 H new ATOM 0 HB2 ARG A 35 -8.701 15.320 -8.014 1.00 2.21 H new ATOM 0 HB3 ARG A 35 -8.715 16.979 -7.449 1.00 2.21 H new ATOM 0 HG2 ARG A 35 -6.661 16.696 -8.615 1.00 2.56 H new ATOM 0 HG3 ARG A 35 -6.247 16.732 -6.912 1.00 2.56 H new ATOM 0 HD2 ARG A 35 -5.023 14.936 -8.041 1.00 2.88 H new ATOM 0 HD3 ARG A 35 -6.131 14.264 -6.862 1.00 2.88 H new ATOM 0 HE ARG A 35 -7.567 14.300 -9.270 1.00 3.69 H new ATOM 0 HH11 ARG A 35 -4.558 12.899 -8.061 1.00 4.68 H new ATOM 0 HH12 ARG A 35 -4.646 11.497 -9.131 1.00 4.68 H new ATOM 0 HH21 ARG A 35 -7.672 12.497 -10.642 1.00 5.46 H new ATOM 0 HH22 ARG A 35 -6.402 11.270 -10.587 1.00 5.46 H new ATOM 513 N ASP A 36 -10.158 15.955 -4.190 1.00 2.20 N ATOM 514 CA ASP A 36 -11.498 16.219 -3.676 1.00 2.60 C ATOM 515 C ASP A 36 -11.726 17.715 -3.491 1.00 2.84 C ATOM 516 O ASP A 36 -10.862 18.425 -2.977 1.00 3.13 O ATOM 517 CB ASP A 36 -11.709 15.492 -2.347 1.00 3.10 C ATOM 518 CG ASP A 36 -11.533 13.991 -2.475 1.00 3.69 C ATOM 519 OD1 ASP A 36 -12.530 13.300 -2.770 1.00 4.03 O ATOM 520 OD2 ASP A 36 -10.398 13.508 -2.279 1.00 4.29 O ATOM 0 H ASP A 36 -9.434 15.908 -3.473 1.00 2.20 H new ATOM 0 HA ASP A 36 -12.218 15.848 -4.405 1.00 2.60 H new ATOM 0 HB2 ASP A 36 -11.004 15.876 -1.610 1.00 3.10 H new ATOM 0 HB3 ASP A 36 -12.710 15.707 -1.973 1.00 3.10 H new ATOM 525 N GLN A 37 -12.896 18.186 -3.913 1.00 3.14 N ATOM 526 CA GLN A 37 -13.239 19.598 -3.796 1.00 3.57 C ATOM 527 C GLN A 37 -14.426 19.794 -2.857 1.00 3.76 C ATOM 528 O GLN A 37 -15.174 20.764 -2.980 1.00 4.28 O ATOM 529 CB GLN A 37 -13.561 20.180 -5.174 1.00 4.06 C ATOM 530 CG GLN A 37 -12.415 20.058 -6.165 1.00 4.18 C ATOM 531 CD GLN A 37 -12.747 20.651 -7.522 1.00 4.68 C ATOM 532 OE1 GLN A 37 -14.019 20.598 -7.901 1.00 4.94 O flip ATOM 533 NE2 GLN A 37 -11.866 21.147 -8.225 1.00 5.25 N flip ATOM 0 H GLN A 37 -13.622 17.610 -4.339 1.00 3.14 H new ATOM 0 HA GLN A 37 -12.380 20.123 -3.379 1.00 3.57 H new ATOM 0 HB2 GLN A 37 -14.437 19.673 -5.579 1.00 4.06 H new ATOM 0 HB3 GLN A 37 -13.825 21.232 -5.063 1.00 4.06 H new ATOM 0 HG2 GLN A 37 -11.535 20.558 -5.760 1.00 4.18 H new ATOM 0 HG3 GLN A 37 -12.156 19.006 -6.286 1.00 4.18 H new ATOM 0 HE21 GLN A 37 -10.901 21.167 -7.895 1.00 5.25 H new ATOM 0 HE22 GLN A 37 -12.101 21.538 -9.137 1.00 5.25 H new ATOM 542 N SER A 38 -14.591 18.868 -1.918 1.00 3.75 N ATOM 543 CA SER A 38 -15.686 18.940 -0.958 1.00 4.18 C ATOM 544 C SER A 38 -15.348 18.166 0.313 1.00 4.18 C ATOM 545 O SER A 38 -15.232 16.940 0.294 1.00 4.39 O ATOM 546 CB SER A 38 -16.973 18.391 -1.575 1.00 4.65 C ATOM 547 OG SER A 38 -18.050 18.462 -0.658 1.00 4.88 O ATOM 0 H SER A 38 -13.980 18.059 -1.802 1.00 3.75 H new ATOM 0 HA SER A 38 -15.836 19.987 -0.696 1.00 4.18 H new ATOM 0 HB2 SER A 38 -17.219 18.957 -2.474 1.00 4.65 H new ATOM 0 HB3 SER A 38 -16.820 17.356 -1.881 1.00 4.65 H new ATOM 0 HG SER A 38 -18.861 18.106 -1.078 1.00 4.88 H new ATOM 553 N THR A 39 -15.190 18.892 1.414 1.00 4.37 N ATOM 554 CA THR A 39 -14.867 18.276 2.696 1.00 4.62 C ATOM 555 C THR A 39 -16.130 17.846 3.433 1.00 4.92 C ATOM 556 O THR A 39 -17.127 18.568 3.452 1.00 5.20 O ATOM 557 CB THR A 39 -14.065 19.237 3.594 1.00 4.99 C ATOM 558 OG1 THR A 39 -14.758 20.484 3.721 1.00 5.27 O ATOM 559 CG2 THR A 39 -12.676 19.479 3.022 1.00 5.22 C ATOM 0 H THR A 39 -15.280 19.908 1.445 1.00 4.37 H new ATOM 0 HA THR A 39 -14.258 17.398 2.480 1.00 4.62 H new ATOM 0 HB THR A 39 -13.962 18.778 4.577 1.00 4.99 H new ATOM 0 HG1 THR A 39 -14.242 21.088 4.295 1.00 5.27 H new ATOM 0 HG21 THR A 39 -12.128 20.160 3.673 1.00 5.22 H new ATOM 0 HG22 THR A 39 -12.140 18.532 2.955 1.00 5.22 H new ATOM 0 HG23 THR A 39 -12.763 19.918 2.028 1.00 5.22 H new ATOM 567 N THR A 40 -16.081 16.664 4.039 1.00 5.20 N ATOM 568 CA THR A 40 -17.219 16.136 4.781 1.00 5.70 C ATOM 569 C THR A 40 -16.758 15.318 5.982 1.00 5.69 C ATOM 570 O THR A 40 -17.573 14.834 6.768 1.00 6.22 O ATOM 571 CB THR A 40 -18.114 15.256 3.887 1.00 6.36 C ATOM 572 OG1 THR A 40 -19.203 14.726 4.651 1.00 6.91 O ATOM 573 CG2 THR A 40 -17.316 14.115 3.274 1.00 6.50 C ATOM 0 H THR A 40 -15.264 16.053 4.030 1.00 5.20 H new ATOM 0 HA THR A 40 -17.797 16.993 5.128 1.00 5.70 H new ATOM 0 HB THR A 40 -18.505 15.878 3.082 1.00 6.36 H new ATOM 0 HG1 THR A 40 -18.985 14.771 5.605 1.00 6.91 H new ATOM 0 HG21 THR A 40 -17.970 13.509 2.648 1.00 6.50 H new ATOM 0 HG22 THR A 40 -16.507 14.522 2.667 1.00 6.50 H new ATOM 0 HG23 THR A 40 -16.898 13.496 4.068 1.00 6.50 H new ATOM 581 N GLY A 41 -15.445 15.169 6.116 1.00 5.25 N ATOM 582 CA GLY A 41 -14.892 14.409 7.223 1.00 5.36 C ATOM 583 C GLY A 41 -13.452 14.003 6.981 1.00 4.81 C ATOM 584 O GLY A 41 -12.556 14.388 7.734 1.00 4.96 O ATOM 0 H GLY A 41 -14.753 15.561 5.478 1.00 5.25 H new ATOM 0 HA2 GLY A 41 -14.951 15.004 8.134 1.00 5.36 H new ATOM 0 HA3 GLY A 41 -15.496 13.516 7.385 1.00 5.36 H new ATOM 588 N GLU A 42 -13.228 13.222 5.929 1.00 4.49 N ATOM 589 CA GLU A 42 -11.887 12.761 5.590 1.00 4.09 C ATOM 590 C GLU A 42 -11.250 13.666 4.539 1.00 3.18 C ATOM 591 O GLU A 42 -11.932 14.472 3.905 1.00 3.30 O ATOM 592 CB GLU A 42 -11.934 11.319 5.082 1.00 4.75 C ATOM 593 CG GLU A 42 -12.438 10.329 6.118 1.00 5.90 C ATOM 594 CD GLU A 42 -12.502 8.910 5.588 1.00 6.74 C ATOM 595 OE1 GLU A 42 -11.473 8.207 5.646 1.00 7.22 O ATOM 596 OE2 GLU A 42 -13.583 8.504 5.111 1.00 7.14 O ATOM 0 H GLU A 42 -13.958 12.895 5.297 1.00 4.49 H new ATOM 0 HA GLU A 42 -11.277 12.799 6.492 1.00 4.09 H new ATOM 0 HB2 GLU A 42 -12.577 11.272 4.203 1.00 4.75 H new ATOM 0 HB3 GLU A 42 -10.935 11.022 4.762 1.00 4.75 H new ATOM 0 HG2 GLU A 42 -11.785 10.358 6.990 1.00 5.90 H new ATOM 0 HG3 GLU A 42 -13.430 10.633 6.453 1.00 5.90 H new ATOM 603 N ALA A 43 -9.941 13.525 4.357 1.00 2.78 N ATOM 604 CA ALA A 43 -9.211 14.331 3.385 1.00 2.36 C ATOM 605 C ALA A 43 -8.178 13.493 2.638 1.00 2.13 C ATOM 606 O ALA A 43 -7.230 12.985 3.237 1.00 2.67 O ATOM 607 CB ALA A 43 -8.536 15.504 4.079 1.00 3.05 C ATOM 0 H ALA A 43 -9.363 12.859 4.871 1.00 2.78 H new ATOM 0 HA ALA A 43 -9.926 14.712 2.656 1.00 2.36 H new ATOM 0 HB1 ALA A 43 -7.994 16.099 3.344 1.00 3.05 H new ATOM 0 HB2 ALA A 43 -9.291 16.124 4.562 1.00 3.05 H new ATOM 0 HB3 ALA A 43 -7.839 15.131 4.829 1.00 3.05 H new ATOM 613 N THR A 44 -8.378 13.354 1.328 1.00 1.84 N ATOM 614 CA THR A 44 -7.472 12.582 0.477 1.00 1.65 C ATOM 615 C THR A 44 -7.232 11.178 1.030 1.00 1.26 C ATOM 616 O THR A 44 -7.886 10.752 1.983 1.00 1.53 O ATOM 617 CB THR A 44 -6.116 13.295 0.300 1.00 2.07 C ATOM 618 OG1 THR A 44 -5.414 13.348 1.547 1.00 2.30 O ATOM 619 CG2 THR A 44 -6.314 14.705 -0.235 1.00 2.53 C ATOM 0 H THR A 44 -9.165 13.769 0.830 1.00 1.84 H new ATOM 0 HA THR A 44 -7.961 12.499 -0.494 1.00 1.65 H new ATOM 0 HB THR A 44 -5.527 12.726 -0.419 1.00 2.07 H new ATOM 0 HG1 THR A 44 -5.920 12.858 2.228 1.00 2.30 H new ATOM 0 HG21 THR A 44 -5.345 15.189 -0.352 1.00 2.53 H new ATOM 0 HG22 THR A 44 -6.816 14.660 -1.201 1.00 2.53 H new ATOM 0 HG23 THR A 44 -6.923 15.277 0.464 1.00 2.53 H new ATOM 627 N GLY A 45 -6.294 10.460 0.417 1.00 1.05 N ATOM 628 CA GLY A 45 -5.981 9.112 0.856 1.00 0.80 C ATOM 629 C GLY A 45 -4.813 8.514 0.097 1.00 0.75 C ATOM 630 O GLY A 45 -4.711 8.669 -1.121 1.00 1.14 O ATOM 0 H GLY A 45 -5.745 10.789 -0.377 1.00 1.05 H new ATOM 0 HA2 GLY A 45 -5.751 9.124 1.921 1.00 0.80 H new ATOM 0 HA3 GLY A 45 -6.858 8.478 0.727 1.00 0.80 H new ATOM 634 N ILE A 46 -3.928 7.829 0.816 1.00 0.46 N ATOM 635 CA ILE A 46 -2.760 7.208 0.200 1.00 0.39 C ATOM 636 C ILE A 46 -3.101 5.831 -0.364 1.00 0.39 C ATOM 637 O ILE A 46 -3.594 4.961 0.355 1.00 0.57 O ATOM 638 CB ILE A 46 -1.602 7.061 1.209 1.00 0.38 C ATOM 639 CG1 ILE A 46 -1.312 8.402 1.896 1.00 0.65 C ATOM 640 CG2 ILE A 46 -0.356 6.531 0.514 1.00 0.43 C ATOM 641 CD1 ILE A 46 -0.952 9.520 0.939 1.00 0.55 C ATOM 0 H ILE A 46 -3.997 7.690 1.824 1.00 0.46 H new ATOM 0 HA ILE A 46 -2.446 7.865 -0.612 1.00 0.39 H new ATOM 0 HB ILE A 46 -1.899 6.344 1.974 1.00 0.38 H new ATOM 0 HG12 ILE A 46 -2.187 8.700 2.473 1.00 0.65 H new ATOM 0 HG13 ILE A 46 -0.494 8.266 2.604 1.00 0.65 H new ATOM 0 HG21 ILE A 46 0.452 6.433 1.240 1.00 0.43 H new ATOM 0 HG22 ILE A 46 -0.570 5.556 0.076 1.00 0.43 H new ATOM 0 HG23 ILE A 46 -0.055 7.224 -0.272 1.00 0.43 H new ATOM 0 HD11 ILE A 46 -0.762 10.434 1.502 1.00 0.55 H new ATOM 0 HD12 ILE A 46 -0.058 9.246 0.379 1.00 0.55 H new ATOM 0 HD13 ILE A 46 -1.777 9.686 0.246 1.00 0.55 H new ATOM 653 N TYR A 47 -2.837 5.642 -1.654 1.00 0.30 N ATOM 654 CA TYR A 47 -3.113 4.371 -2.313 1.00 0.30 C ATOM 655 C TYR A 47 -2.224 4.196 -3.544 1.00 0.26 C ATOM 656 O TYR A 47 -1.996 5.143 -4.297 1.00 0.29 O ATOM 657 CB TYR A 47 -4.591 4.284 -2.709 1.00 0.36 C ATOM 658 CG TYR A 47 -4.982 5.208 -3.842 1.00 0.40 C ATOM 659 CD1 TYR A 47 -5.234 6.555 -3.613 1.00 0.43 C ATOM 660 CD2 TYR A 47 -5.102 4.730 -5.141 1.00 0.48 C ATOM 661 CE1 TYR A 47 -5.593 7.399 -4.648 1.00 0.51 C ATOM 662 CE2 TYR A 47 -5.460 5.567 -6.180 1.00 0.57 C ATOM 663 CZ TYR A 47 -5.705 6.899 -5.928 1.00 0.58 C ATOM 664 OH TYR A 47 -6.063 7.734 -6.960 1.00 0.70 O ATOM 0 H TYR A 47 -2.432 6.353 -2.263 1.00 0.30 H new ATOM 0 HA TYR A 47 -2.891 3.567 -1.611 1.00 0.30 H new ATOM 0 HB2 TYR A 47 -4.819 3.258 -2.996 1.00 0.36 H new ATOM 0 HB3 TYR A 47 -5.204 4.515 -1.838 1.00 0.36 H new ATOM 0 HD1 TYR A 47 -5.148 6.949 -2.611 1.00 0.43 H new ATOM 0 HD2 TYR A 47 -4.912 3.686 -5.342 1.00 0.48 H new ATOM 0 HE1 TYR A 47 -5.785 8.444 -4.455 1.00 0.51 H new ATOM 0 HE2 TYR A 47 -5.547 5.179 -7.184 1.00 0.57 H new ATOM 0 HH TYR A 47 -6.096 7.225 -7.797 1.00 0.70 H new ATOM 674 N VAL A 48 -1.721 2.979 -3.738 1.00 0.26 N ATOM 675 CA VAL A 48 -0.855 2.680 -4.873 1.00 0.25 C ATOM 676 C VAL A 48 -1.663 2.539 -6.158 1.00 0.28 C ATOM 677 O VAL A 48 -2.621 1.767 -6.219 1.00 0.39 O ATOM 678 CB VAL A 48 -0.049 1.389 -4.637 1.00 0.27 C ATOM 679 CG1 VAL A 48 0.860 1.097 -5.823 1.00 0.29 C ATOM 680 CG2 VAL A 48 0.757 1.494 -3.352 1.00 0.29 C ATOM 0 H VAL A 48 -1.899 2.185 -3.123 1.00 0.26 H new ATOM 0 HA VAL A 48 -0.163 3.516 -4.975 1.00 0.25 H new ATOM 0 HB VAL A 48 -0.749 0.560 -4.536 1.00 0.27 H new ATOM 0 HG11 VAL A 48 1.420 0.181 -5.635 1.00 0.29 H new ATOM 0 HG12 VAL A 48 0.257 0.976 -6.723 1.00 0.29 H new ATOM 0 HG13 VAL A 48 1.555 1.925 -5.961 1.00 0.29 H new ATOM 0 HG21 VAL A 48 1.321 0.574 -3.200 1.00 0.29 H new ATOM 0 HG22 VAL A 48 1.447 2.335 -3.423 1.00 0.29 H new ATOM 0 HG23 VAL A 48 0.082 1.649 -2.511 1.00 0.29 H new ATOM 690 N LYS A 49 -1.263 3.285 -7.184 1.00 0.31 N ATOM 691 CA LYS A 49 -1.949 3.252 -8.471 1.00 0.38 C ATOM 692 C LYS A 49 -1.029 2.731 -9.573 1.00 0.32 C ATOM 693 O LYS A 49 -1.495 2.244 -10.604 1.00 0.37 O ATOM 694 CB LYS A 49 -2.458 4.650 -8.835 1.00 0.49 C ATOM 695 CG LYS A 49 -3.288 4.689 -10.111 1.00 0.61 C ATOM 696 CD LYS A 49 -3.667 6.113 -10.493 1.00 0.84 C ATOM 697 CE LYS A 49 -2.454 6.919 -10.935 1.00 1.65 C ATOM 698 NZ LYS A 49 -2.827 8.292 -11.371 1.00 2.40 N ATOM 0 H LYS A 49 -0.466 3.921 -7.148 1.00 0.31 H new ATOM 0 HA LYS A 49 -2.796 2.572 -8.383 1.00 0.38 H new ATOM 0 HB2 LYS A 49 -3.058 5.034 -8.010 1.00 0.49 H new ATOM 0 HB3 LYS A 49 -1.605 5.319 -8.947 1.00 0.49 H new ATOM 0 HG2 LYS A 49 -2.726 4.231 -10.925 1.00 0.61 H new ATOM 0 HG3 LYS A 49 -4.192 4.096 -9.975 1.00 0.61 H new ATOM 0 HD2 LYS A 49 -4.402 6.091 -11.298 1.00 0.84 H new ATOM 0 HD3 LYS A 49 -4.140 6.604 -9.643 1.00 0.84 H new ATOM 0 HE2 LYS A 49 -1.740 6.981 -10.113 1.00 1.65 H new ATOM 0 HE3 LYS A 49 -1.954 6.402 -11.754 1.00 1.65 H new ATOM 0 HZ1 LYS A 49 -1.972 8.807 -11.664 1.00 2.40 H new ATOM 0 HZ2 LYS A 49 -3.488 8.234 -12.172 1.00 2.40 H new ATOM 0 HZ3 LYS A 49 -3.282 8.795 -10.582 1.00 2.40 H new ATOM 712 N SER A 50 0.279 2.837 -9.352 1.00 0.28 N ATOM 713 CA SER A 50 1.257 2.376 -10.334 1.00 0.35 C ATOM 714 C SER A 50 2.433 1.677 -9.659 1.00 0.28 C ATOM 715 O SER A 50 2.644 1.814 -8.455 1.00 0.25 O ATOM 716 CB SER A 50 1.761 3.554 -11.170 1.00 0.49 C ATOM 717 OG SER A 50 2.727 3.132 -12.116 1.00 1.28 O ATOM 0 H SER A 50 0.685 3.236 -8.506 1.00 0.28 H new ATOM 0 HA SER A 50 0.763 1.656 -10.986 1.00 0.35 H new ATOM 0 HB2 SER A 50 0.923 4.023 -11.686 1.00 0.49 H new ATOM 0 HB3 SER A 50 2.195 4.309 -10.515 1.00 0.49 H new ATOM 0 HG SER A 50 3.032 3.903 -12.639 1.00 1.28 H new ATOM 723 N LEU A 51 3.196 0.928 -10.451 1.00 0.32 N ATOM 724 CA LEU A 51 4.355 0.202 -9.942 1.00 0.27 C ATOM 725 C LEU A 51 5.554 0.379 -10.867 1.00 0.27 C ATOM 726 O LEU A 51 5.407 0.789 -12.018 1.00 0.42 O ATOM 727 CB LEU A 51 4.031 -1.287 -9.799 1.00 0.30 C ATOM 728 CG LEU A 51 2.853 -1.615 -8.881 1.00 0.33 C ATOM 729 CD1 LEU A 51 2.525 -3.098 -8.948 1.00 0.40 C ATOM 730 CD2 LEU A 51 3.160 -1.203 -7.448 1.00 0.32 C ATOM 0 H LEU A 51 3.031 0.808 -11.450 1.00 0.32 H new ATOM 0 HA LEU A 51 4.604 0.610 -8.963 1.00 0.27 H new ATOM 0 HB2 LEU A 51 3.823 -1.693 -10.789 1.00 0.30 H new ATOM 0 HB3 LEU A 51 4.916 -1.800 -9.424 1.00 0.30 H new ATOM 0 HG LEU A 51 1.984 -1.052 -9.222 1.00 0.33 H new ATOM 0 HD11 LEU A 51 1.684 -3.315 -8.289 1.00 0.40 H new ATOM 0 HD12 LEU A 51 2.263 -3.367 -9.971 1.00 0.40 H new ATOM 0 HD13 LEU A 51 3.393 -3.677 -8.632 1.00 0.40 H new ATOM 0 HD21 LEU A 51 2.310 -1.444 -6.810 1.00 0.32 H new ATOM 0 HD22 LEU A 51 4.042 -1.739 -7.096 1.00 0.32 H new ATOM 0 HD23 LEU A 51 3.349 -0.130 -7.410 1.00 0.32 H new ATOM 742 N ILE A 52 6.742 0.069 -10.357 1.00 0.24 N ATOM 743 CA ILE A 52 7.965 0.188 -11.142 1.00 0.24 C ATOM 744 C ILE A 52 8.540 -1.190 -11.471 1.00 0.23 C ATOM 745 O ILE A 52 9.216 -1.796 -10.639 1.00 0.28 O ATOM 746 CB ILE A 52 9.036 1.012 -10.402 1.00 0.27 C ATOM 747 CG1 ILE A 52 8.489 2.394 -10.025 1.00 0.36 C ATOM 748 CG2 ILE A 52 10.289 1.143 -11.256 1.00 0.31 C ATOM 749 CD1 ILE A 52 8.033 3.221 -11.211 1.00 1.26 C ATOM 0 H ILE A 52 6.883 -0.266 -9.404 1.00 0.24 H new ATOM 0 HA ILE A 52 7.698 0.703 -12.065 1.00 0.24 H new ATOM 0 HB ILE A 52 9.300 0.489 -9.483 1.00 0.27 H new ATOM 0 HG12 ILE A 52 7.651 2.267 -9.340 1.00 0.36 H new ATOM 0 HG13 ILE A 52 9.261 2.944 -9.486 1.00 0.36 H new ATOM 0 HG21 ILE A 52 11.036 1.728 -10.719 1.00 0.31 H new ATOM 0 HG22 ILE A 52 10.689 0.152 -11.470 1.00 0.31 H new ATOM 0 HG23 ILE A 52 10.041 1.643 -12.192 1.00 0.31 H new ATOM 0 HD11 ILE A 52 7.660 4.184 -10.861 1.00 1.26 H new ATOM 0 HD12 ILE A 52 8.873 3.381 -11.887 1.00 1.26 H new ATOM 0 HD13 ILE A 52 7.238 2.694 -11.738 1.00 1.26 H new ATOM 761 N PRO A 53 8.283 -1.706 -12.689 1.00 0.31 N ATOM 762 CA PRO A 53 8.784 -3.020 -13.108 1.00 0.35 C ATOM 763 C PRO A 53 10.292 -3.150 -12.922 1.00 0.34 C ATOM 764 O PRO A 53 11.061 -2.314 -13.397 1.00 0.46 O ATOM 765 CB PRO A 53 8.420 -3.087 -14.593 1.00 0.43 C ATOM 766 CG PRO A 53 7.264 -2.160 -14.744 1.00 0.82 C ATOM 767 CD PRO A 53 7.488 -1.055 -13.749 1.00 0.47 C ATOM 0 HA PRO A 53 8.353 -3.827 -12.515 1.00 0.35 H new ATOM 0 HB2 PRO A 53 9.257 -2.780 -15.220 1.00 0.43 H new ATOM 0 HB3 PRO A 53 8.155 -4.102 -14.890 1.00 0.43 H new ATOM 0 HG2 PRO A 53 7.209 -1.766 -15.759 1.00 0.82 H new ATOM 0 HG3 PRO A 53 6.323 -2.675 -14.551 1.00 0.82 H new ATOM 0 HD2 PRO A 53 8.022 -0.216 -14.194 1.00 0.47 H new ATOM 0 HD3 PRO A 53 6.546 -0.665 -13.363 1.00 0.47 H new ATOM 775 N GLY A 54 10.708 -4.202 -12.224 1.00 0.39 N ATOM 776 CA GLY A 54 12.121 -4.426 -11.985 1.00 0.41 C ATOM 777 C GLY A 54 12.515 -4.179 -10.541 1.00 0.39 C ATOM 778 O GLY A 54 13.662 -4.407 -10.155 1.00 0.49 O ATOM 0 H GLY A 54 10.090 -4.905 -11.819 1.00 0.39 H new ATOM 0 HA2 GLY A 54 12.374 -5.451 -12.256 1.00 0.41 H new ATOM 0 HA3 GLY A 54 12.704 -3.772 -12.634 1.00 0.41 H new ATOM 782 N SER A 55 11.559 -3.713 -9.742 1.00 0.35 N ATOM 783 CA SER A 55 11.810 -3.430 -8.332 1.00 0.35 C ATOM 784 C SER A 55 11.316 -4.570 -7.448 1.00 0.32 C ATOM 785 O SER A 55 10.907 -5.620 -7.941 1.00 0.36 O ATOM 786 CB SER A 55 11.125 -2.126 -7.927 1.00 0.37 C ATOM 787 OG SER A 55 9.718 -2.233 -8.056 1.00 1.23 O ATOM 0 H SER A 55 10.604 -3.523 -10.047 1.00 0.35 H new ATOM 0 HA SER A 55 12.887 -3.330 -8.194 1.00 0.35 H new ATOM 0 HB2 SER A 55 11.382 -1.880 -6.897 1.00 0.37 H new ATOM 0 HB3 SER A 55 11.490 -1.310 -8.550 1.00 0.37 H new ATOM 0 HG SER A 55 9.480 -2.289 -9.005 1.00 1.23 H new ATOM 793 N ALA A 56 11.354 -4.351 -6.137 1.00 0.35 N ATOM 794 CA ALA A 56 10.912 -5.358 -5.180 1.00 0.36 C ATOM 795 C ALA A 56 9.405 -5.583 -5.267 1.00 0.32 C ATOM 796 O ALA A 56 8.948 -6.700 -5.510 1.00 0.34 O ATOM 797 CB ALA A 56 11.305 -4.947 -3.769 1.00 0.42 C ATOM 0 H ALA A 56 11.687 -3.485 -5.714 1.00 0.35 H new ATOM 0 HA ALA A 56 11.404 -6.298 -5.427 1.00 0.36 H new ATOM 0 HB1 ALA A 56 10.970 -5.706 -3.062 1.00 0.42 H new ATOM 0 HB2 ALA A 56 12.389 -4.847 -3.708 1.00 0.42 H new ATOM 0 HB3 ALA A 56 10.838 -3.993 -3.525 1.00 0.42 H new ATOM 803 N ALA A 57 8.641 -4.512 -5.066 1.00 0.30 N ATOM 804 CA ALA A 57 7.185 -4.588 -5.116 1.00 0.30 C ATOM 805 C ALA A 57 6.698 -5.070 -6.480 1.00 0.30 C ATOM 806 O ALA A 57 5.586 -5.573 -6.609 1.00 0.35 O ATOM 807 CB ALA A 57 6.574 -3.233 -4.789 1.00 0.32 C ATOM 0 H ALA A 57 9.007 -3.581 -4.867 1.00 0.30 H new ATOM 0 HA ALA A 57 6.863 -5.314 -4.369 1.00 0.30 H new ATOM 0 HB1 ALA A 57 5.487 -3.305 -4.830 1.00 0.32 H new ATOM 0 HB2 ALA A 57 6.880 -2.928 -3.788 1.00 0.32 H new ATOM 0 HB3 ALA A 57 6.917 -2.495 -5.514 1.00 0.32 H new ATOM 813 N ALA A 58 7.527 -4.894 -7.501 1.00 0.31 N ATOM 814 CA ALA A 58 7.169 -5.314 -8.850 1.00 0.33 C ATOM 815 C ALA A 58 7.403 -6.810 -9.059 1.00 0.34 C ATOM 816 O ALA A 58 6.688 -7.456 -9.825 1.00 0.44 O ATOM 817 CB ALA A 58 7.950 -4.508 -9.875 1.00 0.37 C ATOM 0 H ALA A 58 8.449 -4.465 -7.422 1.00 0.31 H new ATOM 0 HA ALA A 58 6.104 -5.127 -8.984 1.00 0.33 H new ATOM 0 HB1 ALA A 58 7.674 -4.831 -10.879 1.00 0.37 H new ATOM 0 HB2 ALA A 58 7.719 -3.449 -9.758 1.00 0.37 H new ATOM 0 HB3 ALA A 58 9.018 -4.665 -9.724 1.00 0.37 H new ATOM 823 N LEU A 59 8.408 -7.355 -8.375 1.00 0.35 N ATOM 824 CA LEU A 59 8.743 -8.772 -8.507 1.00 0.39 C ATOM 825 C LEU A 59 7.875 -9.659 -7.615 1.00 0.42 C ATOM 826 O LEU A 59 7.171 -10.542 -8.105 1.00 0.57 O ATOM 827 CB LEU A 59 10.221 -8.996 -8.177 1.00 0.47 C ATOM 828 CG LEU A 59 11.210 -8.418 -9.191 1.00 0.53 C ATOM 829 CD1 LEU A 59 12.634 -8.524 -8.668 1.00 0.66 C ATOM 830 CD2 LEU A 59 11.082 -9.130 -10.529 1.00 0.61 C ATOM 0 H LEU A 59 9.002 -6.839 -7.726 1.00 0.35 H new ATOM 0 HA LEU A 59 8.547 -9.054 -9.541 1.00 0.39 H new ATOM 0 HB2 LEU A 59 10.429 -8.558 -7.201 1.00 0.47 H new ATOM 0 HB3 LEU A 59 10.399 -10.068 -8.090 1.00 0.47 H new ATOM 0 HG LEU A 59 10.973 -7.364 -9.337 1.00 0.53 H new ATOM 0 HD11 LEU A 59 13.323 -8.108 -9.403 1.00 0.66 H new ATOM 0 HD12 LEU A 59 12.721 -7.969 -7.734 1.00 0.66 H new ATOM 0 HD13 LEU A 59 12.880 -9.571 -8.492 1.00 0.66 H new ATOM 0 HD21 LEU A 59 11.793 -8.705 -11.237 1.00 0.61 H new ATOM 0 HD22 LEU A 59 11.291 -10.192 -10.398 1.00 0.61 H new ATOM 0 HD23 LEU A 59 10.069 -9.004 -10.913 1.00 0.61 H new ATOM 842 N ASP A 60 7.927 -9.422 -6.306 1.00 0.44 N ATOM 843 CA ASP A 60 7.163 -10.221 -5.355 1.00 0.52 C ATOM 844 C ASP A 60 5.942 -9.465 -4.852 1.00 0.61 C ATOM 845 O ASP A 60 4.961 -10.072 -4.421 1.00 0.79 O ATOM 846 CB ASP A 60 8.050 -10.622 -4.174 1.00 0.74 C ATOM 847 CG ASP A 60 7.309 -11.463 -3.154 1.00 1.08 C ATOM 848 OD1 ASP A 60 6.698 -10.879 -2.233 1.00 1.86 O ATOM 849 OD2 ASP A 60 7.338 -12.706 -3.275 1.00 1.32 O ATOM 0 H ASP A 60 8.489 -8.684 -5.882 1.00 0.44 H new ATOM 0 HA ASP A 60 6.818 -11.117 -5.870 1.00 0.52 H new ATOM 0 HB2 ASP A 60 8.912 -11.179 -4.543 1.00 0.74 H new ATOM 0 HB3 ASP A 60 8.434 -9.724 -3.690 1.00 0.74 H new ATOM 854 N GLY A 61 6.009 -8.141 -4.905 1.00 0.72 N ATOM 855 CA GLY A 61 4.899 -7.330 -4.451 1.00 1.06 C ATOM 856 C GLY A 61 3.658 -7.530 -5.298 1.00 0.83 C ATOM 857 O GLY A 61 3.427 -6.799 -6.261 1.00 0.94 O ATOM 0 H GLY A 61 6.811 -7.616 -5.254 1.00 0.72 H new ATOM 0 HA2 GLY A 61 4.672 -7.576 -3.414 1.00 1.06 H new ATOM 0 HA3 GLY A 61 5.186 -6.279 -4.474 1.00 1.06 H new ATOM 861 N ARG A 62 2.859 -8.528 -4.938 1.00 0.63 N ATOM 862 CA ARG A 62 1.626 -8.828 -5.665 1.00 0.59 C ATOM 863 C ARG A 62 0.655 -7.648 -5.619 1.00 0.52 C ATOM 864 O ARG A 62 -0.449 -7.722 -6.163 1.00 0.69 O ATOM 865 CB ARG A 62 0.959 -10.077 -5.086 1.00 0.67 C ATOM 866 CG ARG A 62 1.748 -11.355 -5.326 1.00 0.81 C ATOM 867 CD ARG A 62 1.033 -12.567 -4.752 1.00 1.05 C ATOM 868 NE ARG A 62 0.926 -12.505 -3.297 1.00 1.31 N ATOM 869 CZ ARG A 62 0.554 -13.534 -2.542 1.00 1.93 C ATOM 870 NH1 ARG A 62 0.242 -14.696 -3.100 1.00 2.26 N ATOM 871 NH2 ARG A 62 0.493 -13.402 -1.224 1.00 2.59 N ATOM 0 H ARG A 62 3.041 -9.145 -4.147 1.00 0.63 H new ATOM 0 HA ARG A 62 1.888 -9.013 -6.707 1.00 0.59 H new ATOM 0 HB2 ARG A 62 0.821 -9.941 -4.013 1.00 0.67 H new ATOM 0 HB3 ARG A 62 -0.033 -10.185 -5.524 1.00 0.67 H new ATOM 0 HG2 ARG A 62 1.900 -11.494 -6.396 1.00 0.81 H new ATOM 0 HG3 ARG A 62 2.735 -11.265 -4.873 1.00 0.81 H new ATOM 0 HD2 ARG A 62 0.035 -12.638 -5.186 1.00 1.05 H new ATOM 0 HD3 ARG A 62 1.569 -13.472 -5.037 1.00 1.05 H new ATOM 0 HE ARG A 62 1.149 -11.624 -2.834 1.00 1.31 H new ATOM 0 HH11 ARG A 62 0.287 -14.804 -4.113 1.00 2.26 H new ATOM 0 HH12 ARG A 62 -0.043 -15.482 -2.516 1.00 2.26 H new ATOM 0 HH21 ARG A 62 0.732 -12.511 -0.789 1.00 2.59 H new ATOM 0 HH22 ARG A 62 0.208 -14.192 -0.645 1.00 2.59 H new ATOM 885 N ILE A 63 1.072 -6.567 -4.964 1.00 0.48 N ATOM 886 CA ILE A 63 0.256 -5.366 -4.847 1.00 0.48 C ATOM 887 C ILE A 63 -0.297 -4.941 -6.203 1.00 0.49 C ATOM 888 O ILE A 63 0.454 -4.757 -7.161 1.00 0.59 O ATOM 889 CB ILE A 63 1.070 -4.200 -4.254 1.00 0.58 C ATOM 890 CG1 ILE A 63 1.707 -4.617 -2.927 1.00 0.66 C ATOM 891 CG2 ILE A 63 0.186 -2.977 -4.064 1.00 0.66 C ATOM 892 CD1 ILE A 63 2.717 -3.619 -2.398 1.00 0.92 C ATOM 0 H ILE A 63 1.979 -6.501 -4.503 1.00 0.48 H new ATOM 0 HA ILE A 63 -0.572 -5.607 -4.180 1.00 0.48 H new ATOM 0 HB ILE A 63 1.866 -3.941 -4.952 1.00 0.58 H new ATOM 0 HG12 ILE A 63 0.921 -4.755 -2.184 1.00 0.66 H new ATOM 0 HG13 ILE A 63 2.196 -5.582 -3.056 1.00 0.66 H new ATOM 0 HG21 ILE A 63 0.777 -2.163 -3.644 1.00 0.66 H new ATOM 0 HG22 ILE A 63 -0.222 -2.670 -5.027 1.00 0.66 H new ATOM 0 HG23 ILE A 63 -0.631 -3.220 -3.384 1.00 0.66 H new ATOM 0 HD11 ILE A 63 3.127 -3.981 -1.455 1.00 0.92 H new ATOM 0 HD12 ILE A 63 3.523 -3.499 -3.122 1.00 0.92 H new ATOM 0 HD13 ILE A 63 2.229 -2.658 -2.236 1.00 0.92 H new ATOM 904 N GLU A 64 -1.615 -4.786 -6.277 1.00 0.51 N ATOM 905 CA GLU A 64 -2.270 -4.380 -7.513 1.00 0.58 C ATOM 906 C GLU A 64 -2.135 -2.875 -7.733 1.00 0.56 C ATOM 907 O GLU A 64 -1.875 -2.126 -6.792 1.00 0.66 O ATOM 908 CB GLU A 64 -3.750 -4.768 -7.481 1.00 0.79 C ATOM 909 CG GLU A 64 -4.042 -6.105 -8.139 1.00 1.09 C ATOM 910 CD GLU A 64 -5.524 -6.418 -8.190 1.00 1.39 C ATOM 911 OE1 GLU A 64 -6.189 -5.983 -9.153 1.00 1.98 O ATOM 912 OE2 GLU A 64 -6.019 -7.099 -7.267 1.00 1.67 O ATOM 0 H GLU A 64 -2.251 -4.936 -5.493 1.00 0.51 H new ATOM 0 HA GLU A 64 -1.781 -4.896 -8.339 1.00 0.58 H new ATOM 0 HB2 GLU A 64 -4.086 -4.801 -6.445 1.00 0.79 H new ATOM 0 HB3 GLU A 64 -4.331 -3.992 -7.980 1.00 0.79 H new ATOM 0 HG2 GLU A 64 -3.640 -6.103 -9.152 1.00 1.09 H new ATOM 0 HG3 GLU A 64 -3.526 -6.895 -7.593 1.00 1.09 H new ATOM 919 N PRO A 65 -2.307 -2.411 -8.986 1.00 0.56 N ATOM 920 CA PRO A 65 -2.210 -0.986 -9.323 1.00 0.64 C ATOM 921 C PRO A 65 -3.421 -0.188 -8.839 1.00 0.72 C ATOM 922 O PRO A 65 -3.778 0.834 -9.427 1.00 1.44 O ATOM 923 CB PRO A 65 -2.152 -0.990 -10.850 1.00 0.77 C ATOM 924 CG PRO A 65 -2.881 -2.226 -11.250 1.00 0.83 C ATOM 925 CD PRO A 65 -2.598 -3.239 -10.176 1.00 0.62 C ATOM 0 HA PRO A 65 -1.351 -0.513 -8.848 1.00 0.64 H new ATOM 0 HB2 PRO A 65 -2.623 -0.100 -11.267 1.00 0.77 H new ATOM 0 HB3 PRO A 65 -1.122 -1.004 -11.208 1.00 0.77 H new ATOM 0 HG2 PRO A 65 -3.951 -2.037 -11.336 1.00 0.83 H new ATOM 0 HG3 PRO A 65 -2.541 -2.582 -12.222 1.00 0.83 H new ATOM 0 HD2 PRO A 65 -3.452 -3.895 -10.009 1.00 0.62 H new ATOM 0 HD3 PRO A 65 -1.753 -3.876 -10.438 1.00 0.62 H new ATOM 933 N ASN A 66 -4.046 -0.662 -7.767 1.00 0.60 N ATOM 934 CA ASN A 66 -5.214 0.001 -7.200 1.00 0.59 C ATOM 935 C ASN A 66 -5.465 -0.494 -5.777 1.00 0.51 C ATOM 936 O ASN A 66 -6.583 -0.869 -5.422 1.00 0.73 O ATOM 937 CB ASN A 66 -6.444 -0.252 -8.077 1.00 0.66 C ATOM 938 CG ASN A 66 -7.656 0.545 -7.630 1.00 1.34 C ATOM 939 OD1 ASN A 66 -7.421 1.742 -7.102 1.00 2.15 O flip ATOM 940 ND2 ASN A 66 -8.794 0.092 -7.761 1.00 2.01 N flip ATOM 0 H ASN A 66 -3.761 -1.507 -7.271 1.00 0.60 H new ATOM 0 HA ASN A 66 -5.025 1.074 -7.166 1.00 0.59 H new ATOM 0 HB2 ASN A 66 -6.207 0.003 -9.110 1.00 0.66 H new ATOM 0 HB3 ASN A 66 -6.686 -1.315 -8.058 1.00 0.66 H new ATOM 0 HD21 ASN A 66 -8.931 -0.832 -8.171 1.00 2.01 H new ATOM 0 HD22 ASN A 66 -9.599 0.641 -7.459 1.00 2.01 H new ATOM 947 N ASP A 67 -4.410 -0.491 -4.967 1.00 0.36 N ATOM 948 CA ASP A 67 -4.500 -0.943 -3.581 1.00 0.34 C ATOM 949 C ASP A 67 -4.396 0.234 -2.617 1.00 0.30 C ATOM 950 O ASP A 67 -3.782 1.253 -2.935 1.00 0.38 O ATOM 951 CB ASP A 67 -3.395 -1.961 -3.288 1.00 0.41 C ATOM 952 CG ASP A 67 -3.274 -2.281 -1.812 1.00 1.17 C ATOM 953 OD1 ASP A 67 -2.654 -1.480 -1.081 1.00 1.46 O ATOM 954 OD2 ASP A 67 -3.795 -3.333 -1.386 1.00 2.02 O ATOM 0 H ASP A 67 -3.480 -0.180 -5.247 1.00 0.36 H new ATOM 0 HA ASP A 67 -5.471 -1.417 -3.438 1.00 0.34 H new ATOM 0 HB2 ASP A 67 -3.596 -2.879 -3.840 1.00 0.41 H new ATOM 0 HB3 ASP A 67 -2.443 -1.573 -3.651 1.00 0.41 H new ATOM 959 N LYS A 68 -4.998 0.089 -1.438 1.00 0.27 N ATOM 960 CA LYS A 68 -4.968 1.145 -0.433 1.00 0.28 C ATOM 961 C LYS A 68 -4.040 0.775 0.721 1.00 0.26 C ATOM 962 O LYS A 68 -4.332 -0.136 1.497 1.00 0.38 O ATOM 963 CB LYS A 68 -6.380 1.415 0.094 1.00 0.37 C ATOM 964 CG LYS A 68 -6.450 2.563 1.087 1.00 0.53 C ATOM 965 CD LYS A 68 -7.876 2.815 1.547 1.00 0.53 C ATOM 966 CE LYS A 68 -7.942 3.964 2.540 1.00 0.58 C ATOM 967 NZ LYS A 68 -9.340 4.251 2.966 1.00 1.02 N ATOM 0 H LYS A 68 -5.510 -0.747 -1.158 1.00 0.27 H new ATOM 0 HA LYS A 68 -4.585 2.050 -0.904 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -7.037 1.633 -0.748 1.00 0.37 H new ATOM 0 HB3 LYS A 68 -6.760 0.511 0.569 1.00 0.37 H new ATOM 0 HG2 LYS A 68 -5.823 2.338 1.950 1.00 0.53 H new ATOM 0 HG3 LYS A 68 -6.049 3.467 0.628 1.00 0.53 H new ATOM 0 HD2 LYS A 68 -8.504 3.040 0.685 1.00 0.53 H new ATOM 0 HD3 LYS A 68 -8.277 1.911 2.006 1.00 0.53 H new ATOM 0 HE2 LYS A 68 -7.338 3.723 3.415 1.00 0.58 H new ATOM 0 HE3 LYS A 68 -7.509 4.858 2.090 1.00 0.58 H new ATOM 0 HZ1 LYS A 68 -9.342 5.041 3.643 1.00 1.02 H new ATOM 0 HZ2 LYS A 68 -9.911 4.506 2.135 1.00 1.02 H new ATOM 0 HZ3 LYS A 68 -9.745 3.407 3.418 1.00 1.02 H new ATOM 981 N ILE A 69 -2.922 1.488 0.829 1.00 0.24 N ATOM 982 CA ILE A 69 -1.951 1.236 1.888 1.00 0.21 C ATOM 983 C ILE A 69 -2.503 1.669 3.242 1.00 0.21 C ATOM 984 O ILE A 69 -3.181 2.691 3.347 1.00 0.29 O ATOM 985 CB ILE A 69 -0.626 1.981 1.624 1.00 0.23 C ATOM 986 CG1 ILE A 69 -0.129 1.706 0.200 1.00 0.26 C ATOM 987 CG2 ILE A 69 0.427 1.574 2.647 1.00 0.23 C ATOM 988 CD1 ILE A 69 0.125 0.240 -0.088 1.00 0.28 C ATOM 0 H ILE A 69 -2.667 2.245 0.195 1.00 0.24 H new ATOM 0 HA ILE A 69 -1.758 0.163 1.899 1.00 0.21 H new ATOM 0 HB ILE A 69 -0.806 3.051 1.723 1.00 0.23 H new ATOM 0 HG12 ILE A 69 -0.864 2.084 -0.510 1.00 0.26 H new ATOM 0 HG13 ILE A 69 0.792 2.264 0.033 1.00 0.26 H new ATOM 0 HG21 ILE A 69 1.355 2.109 2.446 1.00 0.23 H new ATOM 0 HG22 ILE A 69 0.076 1.821 3.649 1.00 0.23 H new ATOM 0 HG23 ILE A 69 0.605 0.501 2.579 1.00 0.23 H new ATOM 0 HD11 ILE A 69 0.474 0.126 -1.114 1.00 0.28 H new ATOM 0 HD12 ILE A 69 0.883 -0.139 0.597 1.00 0.28 H new ATOM 0 HD13 ILE A 69 -0.799 -0.322 0.046 1.00 0.28 H new ATOM 1000 N LEU A 70 -2.208 0.886 4.275 1.00 0.19 N ATOM 1001 CA LEU A 70 -2.682 1.189 5.621 1.00 0.21 C ATOM 1002 C LEU A 70 -1.518 1.435 6.578 1.00 0.20 C ATOM 1003 O LEU A 70 -1.334 2.546 7.075 1.00 0.26 O ATOM 1004 CB LEU A 70 -3.551 0.043 6.144 1.00 0.25 C ATOM 1005 CG LEU A 70 -4.794 -0.259 5.305 1.00 0.32 C ATOM 1006 CD1 LEU A 70 -5.490 -1.508 5.819 1.00 0.40 C ATOM 1007 CD2 LEU A 70 -5.747 0.928 5.315 1.00 0.38 C ATOM 0 H LEU A 70 -1.644 0.039 4.206 1.00 0.19 H new ATOM 0 HA LEU A 70 -3.277 2.101 5.568 1.00 0.21 H new ATOM 0 HB2 LEU A 70 -2.941 -0.859 6.201 1.00 0.25 H new ATOM 0 HB3 LEU A 70 -3.866 0.280 7.160 1.00 0.25 H new ATOM 0 HG LEU A 70 -4.481 -0.438 4.276 1.00 0.32 H new ATOM 0 HD11 LEU A 70 -6.372 -1.709 5.211 1.00 0.40 H new ATOM 0 HD12 LEU A 70 -4.807 -2.356 5.759 1.00 0.40 H new ATOM 0 HD13 LEU A 70 -5.790 -1.357 6.856 1.00 0.40 H new ATOM 0 HD21 LEU A 70 -6.625 0.695 4.713 1.00 0.38 H new ATOM 0 HD22 LEU A 70 -6.055 1.139 6.339 1.00 0.38 H new ATOM 0 HD23 LEU A 70 -5.244 1.802 4.900 1.00 0.38 H new ATOM 1019 N ARG A 71 -0.735 0.392 6.834 1.00 0.20 N ATOM 1020 CA ARG A 71 0.402 0.503 7.738 1.00 0.25 C ATOM 1021 C ARG A 71 1.624 -0.227 7.189 1.00 0.18 C ATOM 1022 O ARG A 71 1.522 -1.348 6.694 1.00 0.26 O ATOM 1023 CB ARG A 71 0.039 -0.064 9.113 1.00 0.38 C ATOM 1024 CG ARG A 71 -1.119 0.659 9.784 1.00 0.91 C ATOM 1025 CD ARG A 71 -1.437 0.054 11.142 1.00 0.77 C ATOM 1026 NE ARG A 71 -2.563 0.720 11.791 1.00 1.38 N ATOM 1027 CZ ARG A 71 -3.002 0.410 13.008 1.00 1.65 C ATOM 1028 NH1 ARG A 71 -2.408 -0.549 13.706 1.00 1.17 N ATOM 1029 NH2 ARG A 71 -4.035 1.057 13.530 1.00 2.61 N ATOM 0 H ARG A 71 -0.867 -0.535 6.430 1.00 0.20 H new ATOM 0 HA ARG A 71 0.650 1.560 7.832 1.00 0.25 H new ATOM 0 HB2 ARG A 71 -0.215 -1.119 9.006 1.00 0.38 H new ATOM 0 HB3 ARG A 71 0.914 -0.011 9.761 1.00 0.38 H new ATOM 0 HG2 ARG A 71 -0.872 1.714 9.903 1.00 0.91 H new ATOM 0 HG3 ARG A 71 -2.001 0.608 9.146 1.00 0.91 H new ATOM 0 HD2 ARG A 71 -1.663 -1.005 11.022 1.00 0.77 H new ATOM 0 HD3 ARG A 71 -0.558 0.122 11.783 1.00 0.77 H new ATOM 0 HE ARG A 71 -3.040 1.465 11.283 1.00 1.38 H new ATOM 0 HH11 ARG A 71 -1.613 -1.050 13.310 1.00 1.17 H new ATOM 0 HH12 ARG A 71 -2.746 -0.785 14.639 1.00 1.17 H new ATOM 0 HH21 ARG A 71 -4.496 1.795 12.998 1.00 2.61 H new ATOM 0 HH22 ARG A 71 -4.369 0.816 14.463 1.00 2.61 H new ATOM 1043 N VAL A 72 2.778 0.424 7.280 1.00 0.21 N ATOM 1044 CA VAL A 72 4.028 -0.159 6.809 1.00 0.17 C ATOM 1045 C VAL A 72 4.753 -0.850 7.964 1.00 0.17 C ATOM 1046 O VAL A 72 4.305 -0.784 9.108 1.00 0.20 O ATOM 1047 CB VAL A 72 4.947 0.918 6.191 1.00 0.20 C ATOM 1048 CG1 VAL A 72 6.025 0.283 5.325 1.00 0.22 C ATOM 1049 CG2 VAL A 72 4.132 1.917 5.384 1.00 0.28 C ATOM 0 H VAL A 72 2.874 1.359 7.677 1.00 0.21 H new ATOM 0 HA VAL A 72 3.788 -0.892 6.038 1.00 0.17 H new ATOM 0 HB VAL A 72 5.438 1.451 7.005 1.00 0.20 H new ATOM 0 HG11 VAL A 72 6.658 1.063 4.902 1.00 0.22 H new ATOM 0 HG12 VAL A 72 6.632 -0.387 5.933 1.00 0.22 H new ATOM 0 HG13 VAL A 72 5.558 -0.282 4.519 1.00 0.22 H new ATOM 0 HG21 VAL A 72 4.797 2.668 4.957 1.00 0.28 H new ATOM 0 HG22 VAL A 72 3.609 1.396 4.582 1.00 0.28 H new ATOM 0 HG23 VAL A 72 3.405 2.404 6.035 1.00 0.28 H new ATOM 1059 N ASP A 73 5.856 -1.526 7.662 1.00 0.18 N ATOM 1060 CA ASP A 73 6.631 -2.221 8.685 1.00 0.21 C ATOM 1061 C ASP A 73 7.003 -1.284 9.836 1.00 0.22 C ATOM 1062 O ASP A 73 7.841 -0.396 9.681 1.00 0.23 O ATOM 1063 CB ASP A 73 7.899 -2.811 8.069 1.00 0.26 C ATOM 1064 CG ASP A 73 8.654 -3.701 9.035 1.00 0.47 C ATOM 1065 OD1 ASP A 73 9.395 -3.162 9.885 1.00 0.56 O ATOM 1066 OD2 ASP A 73 8.503 -4.937 8.944 1.00 0.79 O ATOM 0 H ASP A 73 6.234 -1.608 6.718 1.00 0.18 H new ATOM 0 HA ASP A 73 6.012 -3.023 9.087 1.00 0.21 H new ATOM 0 HB2 ASP A 73 7.634 -3.386 7.182 1.00 0.26 H new ATOM 0 HB3 ASP A 73 8.551 -2.001 7.741 1.00 0.26 H new ATOM 1071 N ASP A 74 6.369 -1.495 10.990 1.00 0.25 N ATOM 1072 CA ASP A 74 6.627 -0.688 12.185 1.00 0.29 C ATOM 1073 C ASP A 74 6.289 0.785 11.956 1.00 0.25 C ATOM 1074 O ASP A 74 6.701 1.653 12.726 1.00 0.29 O ATOM 1075 CB ASP A 74 8.089 -0.832 12.617 1.00 0.35 C ATOM 1076 CG ASP A 74 8.344 -0.265 14.001 1.00 1.20 C ATOM 1077 OD1 ASP A 74 8.023 -0.951 14.994 1.00 1.34 O ATOM 1078 OD2 ASP A 74 8.866 0.866 14.092 1.00 2.01 O ATOM 0 H ASP A 74 5.668 -2.224 11.123 1.00 0.25 H new ATOM 0 HA ASP A 74 5.979 -1.058 12.979 1.00 0.29 H new ATOM 0 HB2 ASP A 74 8.367 -1.886 12.603 1.00 0.35 H new ATOM 0 HB3 ASP A 74 8.729 -0.324 11.896 1.00 0.35 H new ATOM 1083 N VAL A 75 5.536 1.064 10.898 1.00 0.27 N ATOM 1084 CA VAL A 75 5.143 2.433 10.577 1.00 0.27 C ATOM 1085 C VAL A 75 3.683 2.488 10.132 1.00 0.37 C ATOM 1086 O VAL A 75 3.123 1.486 9.690 1.00 0.79 O ATOM 1087 CB VAL A 75 6.037 3.030 9.468 1.00 0.36 C ATOM 1088 CG1 VAL A 75 5.725 4.504 9.256 1.00 0.40 C ATOM 1089 CG2 VAL A 75 7.508 2.836 9.804 1.00 0.41 C ATOM 0 H VAL A 75 5.185 0.361 10.247 1.00 0.27 H new ATOM 0 HA VAL A 75 5.267 3.025 11.484 1.00 0.27 H new ATOM 0 HB VAL A 75 5.824 2.502 8.539 1.00 0.36 H new ATOM 0 HG11 VAL A 75 6.367 4.902 8.470 1.00 0.40 H new ATOM 0 HG12 VAL A 75 4.681 4.617 8.963 1.00 0.40 H new ATOM 0 HG13 VAL A 75 5.903 5.050 10.182 1.00 0.40 H new ATOM 0 HG21 VAL A 75 8.122 3.263 9.011 1.00 0.41 H new ATOM 0 HG22 VAL A 75 7.735 3.334 10.747 1.00 0.41 H new ATOM 0 HG23 VAL A 75 7.723 1.771 9.896 1.00 0.41 H new ATOM 1099 N ASN A 76 3.068 3.661 10.261 1.00 0.30 N ATOM 1100 CA ASN A 76 1.673 3.838 9.871 1.00 0.37 C ATOM 1101 C ASN A 76 1.518 5.028 8.926 1.00 0.42 C ATOM 1102 O ASN A 76 2.001 6.123 9.210 1.00 0.58 O ATOM 1103 CB ASN A 76 0.800 4.042 11.110 1.00 0.46 C ATOM 1104 CG ASN A 76 0.926 2.902 12.103 1.00 1.35 C ATOM 1105 OD1 ASN A 76 1.183 1.759 11.724 1.00 2.24 O ATOM 1106 ND2 ASN A 76 0.744 3.208 13.381 1.00 2.08 N ATOM 0 H ASN A 76 3.513 4.501 10.632 1.00 0.30 H new ATOM 0 HA ASN A 76 1.350 2.937 9.349 1.00 0.37 H new ATOM 0 HB2 ASN A 76 1.079 4.976 11.597 1.00 0.46 H new ATOM 0 HB3 ASN A 76 -0.242 4.140 10.804 1.00 0.46 H new ATOM 0 HD21 ASN A 76 0.815 2.482 14.094 1.00 2.08 H new ATOM 0 HD22 ASN A 76 0.533 4.169 13.650 1.00 2.08 H new ATOM 1113 N VAL A 77 0.840 4.805 7.801 1.00 0.35 N ATOM 1114 CA VAL A 77 0.624 5.863 6.819 1.00 0.43 C ATOM 1115 C VAL A 77 -0.821 6.350 6.849 1.00 0.53 C ATOM 1116 O VAL A 77 -1.310 6.939 5.884 1.00 0.67 O ATOM 1117 CB VAL A 77 0.968 5.394 5.392 1.00 0.47 C ATOM 1118 CG1 VAL A 77 2.441 5.033 5.290 1.00 0.45 C ATOM 1119 CG2 VAL A 77 0.096 4.216 4.987 1.00 0.53 C ATOM 0 H VAL A 77 0.433 3.904 7.549 1.00 0.35 H new ATOM 0 HA VAL A 77 1.290 6.683 7.089 1.00 0.43 H new ATOM 0 HB VAL A 77 0.768 6.216 4.704 1.00 0.47 H new ATOM 0 HG11 VAL A 77 2.666 4.704 4.275 1.00 0.45 H new ATOM 0 HG12 VAL A 77 3.047 5.906 5.531 1.00 0.45 H new ATOM 0 HG13 VAL A 77 2.668 4.229 5.991 1.00 0.45 H new ATOM 0 HG21 VAL A 77 0.356 3.901 3.976 1.00 0.53 H new ATOM 0 HG22 VAL A 77 0.259 3.389 5.678 1.00 0.53 H new ATOM 0 HG23 VAL A 77 -0.953 4.512 5.016 1.00 0.53 H new ATOM 1129 N GLN A 78 -1.497 6.101 7.966 1.00 0.59 N ATOM 1130 CA GLN A 78 -2.887 6.510 8.130 1.00 0.72 C ATOM 1131 C GLN A 78 -2.976 7.945 8.644 1.00 0.61 C ATOM 1132 O GLN A 78 -3.976 8.337 9.247 1.00 0.80 O ATOM 1133 CB GLN A 78 -3.605 5.562 9.093 1.00 0.93 C ATOM 1134 CG GLN A 78 -3.751 4.147 8.560 1.00 0.62 C ATOM 1135 CD GLN A 78 -4.801 4.035 7.472 1.00 0.53 C ATOM 1136 OE1 GLN A 78 -4.383 4.201 6.223 1.00 1.39 O flip ATOM 1137 NE2 GLN A 78 -5.977 3.802 7.751 1.00 1.05 N flip ATOM 0 H GLN A 78 -1.103 5.617 8.773 1.00 0.59 H new ATOM 0 HA GLN A 78 -3.373 6.465 7.155 1.00 0.72 H new ATOM 0 HB2 GLN A 78 -3.057 5.531 10.035 1.00 0.93 H new ATOM 0 HB3 GLN A 78 -4.595 5.962 9.313 1.00 0.93 H new ATOM 0 HG2 GLN A 78 -2.791 3.810 8.168 1.00 0.62 H new ATOM 0 HG3 GLN A 78 -4.012 3.479 9.381 1.00 0.62 H new ATOM 0 HE21 GLN A 78 -6.256 3.681 8.725 1.00 1.05 H new ATOM 0 HE22 GLN A 78 -6.673 3.730 7.009 1.00 1.05 H new ATOM 1146 N GLY A 79 -1.925 8.723 8.400 1.00 0.48 N ATOM 1147 CA GLY A 79 -1.906 10.106 8.846 1.00 0.48 C ATOM 1148 C GLY A 79 -0.655 10.848 8.411 1.00 0.41 C ATOM 1149 O GLY A 79 -0.318 11.887 8.978 1.00 0.55 O ATOM 0 H GLY A 79 -1.087 8.421 7.902 1.00 0.48 H new ATOM 0 HA2 GLY A 79 -2.783 10.621 8.454 1.00 0.48 H new ATOM 0 HA3 GLY A 79 -1.979 10.133 9.933 1.00 0.48 H new ATOM 1153 N MET A 80 0.033 10.315 7.406 1.00 0.32 N ATOM 1154 CA MET A 80 1.252 10.940 6.896 1.00 0.33 C ATOM 1155 C MET A 80 1.061 11.410 5.458 1.00 0.30 C ATOM 1156 O MET A 80 0.451 10.717 4.643 1.00 0.34 O ATOM 1157 CB MET A 80 2.425 9.960 6.972 1.00 0.39 C ATOM 1158 CG MET A 80 2.715 9.458 8.378 1.00 0.46 C ATOM 1159 SD MET A 80 4.328 8.662 8.513 1.00 0.52 S ATOM 1160 CE MET A 80 4.190 7.384 7.266 1.00 0.48 C ATOM 0 H MET A 80 -0.231 9.453 6.928 1.00 0.32 H new ATOM 0 HA MET A 80 1.472 11.808 7.518 1.00 0.33 H new ATOM 0 HB2 MET A 80 2.216 9.106 6.327 1.00 0.39 H new ATOM 0 HB3 MET A 80 3.318 10.445 6.578 1.00 0.39 H new ATOM 0 HG2 MET A 80 2.668 10.295 9.075 1.00 0.46 H new ATOM 0 HG3 MET A 80 1.940 8.752 8.674 1.00 0.46 H new ATOM 0 HE1 MET A 80 4.617 6.456 7.647 1.00 0.48 H new ATOM 0 HE2 MET A 80 3.140 7.227 7.021 1.00 0.48 H new ATOM 0 HE3 MET A 80 4.730 7.690 6.370 1.00 0.48 H new ATOM 1170 N ALA A 81 1.590 12.592 5.152 1.00 0.29 N ATOM 1171 CA ALA A 81 1.478 13.158 3.813 1.00 0.31 C ATOM 1172 C ALA A 81 2.248 12.319 2.798 1.00 0.26 C ATOM 1173 O ALA A 81 3.175 11.596 3.161 1.00 0.23 O ATOM 1174 CB ALA A 81 1.977 14.595 3.799 1.00 0.39 C ATOM 0 H ALA A 81 2.101 13.176 5.815 1.00 0.29 H new ATOM 0 HA ALA A 81 0.425 13.151 3.531 1.00 0.31 H new ATOM 0 HB1 ALA A 81 1.886 15.002 2.792 1.00 0.39 H new ATOM 0 HB2 ALA A 81 1.381 15.194 4.487 1.00 0.39 H new ATOM 0 HB3 ALA A 81 3.022 14.620 4.108 1.00 0.39 H new ATOM 1180 N GLN A 82 1.857 12.426 1.529 1.00 0.33 N ATOM 1181 CA GLN A 82 2.499 11.673 0.453 1.00 0.35 C ATOM 1182 C GLN A 82 4.020 11.697 0.582 1.00 0.31 C ATOM 1183 O GLN A 82 4.663 10.647 0.623 1.00 0.31 O ATOM 1184 CB GLN A 82 2.087 12.238 -0.909 1.00 0.42 C ATOM 1185 CG GLN A 82 2.761 11.546 -2.084 1.00 0.51 C ATOM 1186 CD GLN A 82 2.354 12.132 -3.422 1.00 0.76 C ATOM 1187 OE1 GLN A 82 2.983 13.064 -3.922 1.00 1.52 O ATOM 1188 NE2 GLN A 82 1.298 11.584 -4.009 1.00 0.74 N ATOM 0 H GLN A 82 1.095 13.030 1.220 1.00 0.33 H new ATOM 0 HA GLN A 82 2.168 10.638 0.532 1.00 0.35 H new ATOM 0 HB2 GLN A 82 1.006 12.150 -1.018 1.00 0.42 H new ATOM 0 HB3 GLN A 82 2.325 13.301 -0.939 1.00 0.42 H new ATOM 0 HG2 GLN A 82 3.843 11.622 -1.973 1.00 0.51 H new ATOM 0 HG3 GLN A 82 2.512 10.485 -2.066 1.00 0.51 H new ATOM 0 HE21 GLN A 82 0.807 10.813 -3.558 1.00 0.74 H new ATOM 0 HE22 GLN A 82 0.977 11.934 -4.912 1.00 0.74 H new ATOM 1197 N SER A 83 4.587 12.898 0.649 1.00 0.32 N ATOM 1198 CA SER A 83 6.034 13.062 0.767 1.00 0.35 C ATOM 1199 C SER A 83 6.595 12.220 1.910 1.00 0.30 C ATOM 1200 O SER A 83 7.597 11.525 1.746 1.00 0.35 O ATOM 1201 CB SER A 83 6.383 14.535 0.989 1.00 0.44 C ATOM 1202 OG SER A 83 5.776 15.032 2.169 1.00 1.48 O ATOM 0 H SER A 83 4.066 13.774 0.624 1.00 0.32 H new ATOM 0 HA SER A 83 6.486 12.720 -0.164 1.00 0.35 H new ATOM 0 HB2 SER A 83 7.465 14.649 1.057 1.00 0.44 H new ATOM 0 HB3 SER A 83 6.054 15.123 0.132 1.00 0.44 H new ATOM 0 HG SER A 83 6.016 15.975 2.288 1.00 1.48 H new ATOM 1208 N ASP A 84 5.940 12.286 3.065 1.00 0.24 N ATOM 1209 CA ASP A 84 6.375 11.531 4.235 1.00 0.24 C ATOM 1210 C ASP A 84 6.358 10.030 3.958 1.00 0.20 C ATOM 1211 O ASP A 84 7.266 9.304 4.368 1.00 0.24 O ATOM 1212 CB ASP A 84 5.485 11.854 5.436 1.00 0.27 C ATOM 1213 CG ASP A 84 5.561 13.315 5.835 1.00 1.03 C ATOM 1214 OD1 ASP A 84 4.876 14.141 5.195 1.00 2.12 O ATOM 1215 OD2 ASP A 84 6.305 13.634 6.785 1.00 0.97 O ATOM 0 H ASP A 84 5.106 12.854 3.216 1.00 0.24 H new ATOM 0 HA ASP A 84 7.400 11.824 4.463 1.00 0.24 H new ATOM 0 HB2 ASP A 84 4.452 11.598 5.199 1.00 0.27 H new ATOM 0 HB3 ASP A 84 5.781 11.233 6.282 1.00 0.27 H new ATOM 1220 N VAL A 85 5.322 9.571 3.260 1.00 0.19 N ATOM 1221 CA VAL A 85 5.193 8.157 2.928 1.00 0.22 C ATOM 1222 C VAL A 85 6.380 7.687 2.093 1.00 0.21 C ATOM 1223 O VAL A 85 6.887 6.581 2.282 1.00 0.24 O ATOM 1224 CB VAL A 85 3.888 7.871 2.160 1.00 0.27 C ATOM 1225 CG1 VAL A 85 3.704 6.376 1.948 1.00 0.32 C ATOM 1226 CG2 VAL A 85 2.695 8.461 2.897 1.00 0.30 C ATOM 0 H VAL A 85 4.562 10.157 2.915 1.00 0.19 H new ATOM 0 HA VAL A 85 5.170 7.609 3.870 1.00 0.22 H new ATOM 0 HB VAL A 85 3.956 8.346 1.181 1.00 0.27 H new ATOM 0 HG11 VAL A 85 2.777 6.197 1.404 1.00 0.32 H new ATOM 0 HG12 VAL A 85 4.543 5.984 1.373 1.00 0.32 H new ATOM 0 HG13 VAL A 85 3.660 5.874 2.915 1.00 0.32 H new ATOM 0 HG21 VAL A 85 1.782 8.249 2.340 1.00 0.30 H new ATOM 0 HG22 VAL A 85 2.625 8.017 3.890 1.00 0.30 H new ATOM 0 HG23 VAL A 85 2.822 9.540 2.990 1.00 0.30 H new ATOM 1236 N VAL A 86 6.819 8.536 1.167 1.00 0.22 N ATOM 1237 CA VAL A 86 7.949 8.212 0.307 1.00 0.25 C ATOM 1238 C VAL A 86 9.226 8.068 1.128 1.00 0.24 C ATOM 1239 O VAL A 86 10.066 7.215 0.840 1.00 0.26 O ATOM 1240 CB VAL A 86 8.163 9.287 -0.777 1.00 0.30 C ATOM 1241 CG1 VAL A 86 9.267 8.870 -1.736 1.00 0.37 C ATOM 1242 CG2 VAL A 86 6.866 9.553 -1.527 1.00 0.34 C ATOM 0 H VAL A 86 6.408 9.453 0.995 1.00 0.22 H new ATOM 0 HA VAL A 86 7.719 7.265 -0.181 1.00 0.25 H new ATOM 0 HB VAL A 86 8.471 10.212 -0.289 1.00 0.30 H new ATOM 0 HG11 VAL A 86 9.402 9.642 -2.493 1.00 0.37 H new ATOM 0 HG12 VAL A 86 10.197 8.736 -1.184 1.00 0.37 H new ATOM 0 HG13 VAL A 86 8.994 7.932 -2.219 1.00 0.37 H new ATOM 0 HG21 VAL A 86 7.036 10.314 -2.288 1.00 0.34 H new ATOM 0 HG22 VAL A 86 6.526 8.633 -2.003 1.00 0.34 H new ATOM 0 HG23 VAL A 86 6.106 9.902 -0.828 1.00 0.34 H new ATOM 1252 N GLU A 87 9.363 8.907 2.152 1.00 0.25 N ATOM 1253 CA GLU A 87 10.536 8.872 3.020 1.00 0.26 C ATOM 1254 C GLU A 87 10.683 7.504 3.677 1.00 0.24 C ATOM 1255 O GLU A 87 11.762 6.913 3.666 1.00 0.26 O ATOM 1256 CB GLU A 87 10.436 9.958 4.093 1.00 0.32 C ATOM 1257 CG GLU A 87 10.428 11.370 3.530 1.00 0.75 C ATOM 1258 CD GLU A 87 10.422 12.431 4.614 1.00 1.04 C ATOM 1259 OE1 GLU A 87 11.519 12.835 5.054 1.00 1.19 O ATOM 1260 OE2 GLU A 87 9.322 12.857 5.022 1.00 1.51 O ATOM 0 H GLU A 87 8.676 9.619 2.400 1.00 0.25 H new ATOM 0 HA GLU A 87 11.418 9.058 2.407 1.00 0.26 H new ATOM 0 HB2 GLU A 87 9.526 9.802 4.673 1.00 0.32 H new ATOM 0 HB3 GLU A 87 11.275 9.855 4.782 1.00 0.32 H new ATOM 0 HG2 GLU A 87 11.303 11.509 2.896 1.00 0.75 H new ATOM 0 HG3 GLU A 87 9.551 11.499 2.896 1.00 0.75 H new ATOM 1267 N VAL A 88 9.589 7.005 4.246 1.00 0.22 N ATOM 1268 CA VAL A 88 9.595 5.705 4.908 1.00 0.22 C ATOM 1269 C VAL A 88 10.049 4.601 3.960 1.00 0.23 C ATOM 1270 O VAL A 88 10.991 3.862 4.255 1.00 0.25 O ATOM 1271 CB VAL A 88 8.198 5.350 5.454 1.00 0.24 C ATOM 1272 CG1 VAL A 88 8.163 3.909 5.945 1.00 0.26 C ATOM 1273 CG2 VAL A 88 7.803 6.309 6.566 1.00 0.27 C ATOM 0 H VAL A 88 8.687 7.482 4.262 1.00 0.22 H new ATOM 0 HA VAL A 88 10.299 5.778 5.737 1.00 0.22 H new ATOM 0 HB VAL A 88 7.476 5.449 4.644 1.00 0.24 H new ATOM 0 HG11 VAL A 88 7.168 3.679 6.326 1.00 0.26 H new ATOM 0 HG12 VAL A 88 8.400 3.238 5.120 1.00 0.26 H new ATOM 0 HG13 VAL A 88 8.896 3.778 6.741 1.00 0.26 H new ATOM 0 HG21 VAL A 88 6.814 6.044 6.940 1.00 0.27 H new ATOM 0 HG22 VAL A 88 8.528 6.244 7.377 1.00 0.27 H new ATOM 0 HG23 VAL A 88 7.784 7.328 6.178 1.00 0.27 H new ATOM 1283 N LEU A 89 9.371 4.494 2.825 1.00 0.24 N ATOM 1284 CA LEU A 89 9.692 3.473 1.837 1.00 0.28 C ATOM 1285 C LEU A 89 11.151 3.561 1.400 1.00 0.32 C ATOM 1286 O LEU A 89 11.776 2.547 1.089 1.00 0.39 O ATOM 1287 CB LEU A 89 8.777 3.611 0.619 1.00 0.32 C ATOM 1288 CG LEU A 89 7.281 3.465 0.906 1.00 0.34 C ATOM 1289 CD1 LEU A 89 6.471 3.768 -0.345 1.00 0.41 C ATOM 1290 CD2 LEU A 89 6.967 2.066 1.419 1.00 0.35 C ATOM 0 H LEU A 89 8.595 5.102 2.566 1.00 0.24 H new ATOM 0 HA LEU A 89 9.534 2.499 2.301 1.00 0.28 H new ATOM 0 HB2 LEU A 89 8.950 4.586 0.164 1.00 0.32 H new ATOM 0 HB3 LEU A 89 9.064 2.860 -0.118 1.00 0.32 H new ATOM 0 HG LEU A 89 7.007 4.182 1.680 1.00 0.34 H new ATOM 0 HD11 LEU A 89 5.409 3.660 -0.126 1.00 0.41 H new ATOM 0 HD12 LEU A 89 6.672 4.789 -0.671 1.00 0.41 H new ATOM 0 HD13 LEU A 89 6.750 3.073 -1.137 1.00 0.41 H new ATOM 0 HD21 LEU A 89 5.898 1.982 1.617 1.00 0.35 H new ATOM 0 HD22 LEU A 89 7.256 1.330 0.669 1.00 0.35 H new ATOM 0 HD23 LEU A 89 7.522 1.883 2.339 1.00 0.35 H new ATOM 1302 N ARG A 90 11.691 4.777 1.378 1.00 0.31 N ATOM 1303 CA ARG A 90 13.077 4.990 0.971 1.00 0.37 C ATOM 1304 C ARG A 90 14.042 4.697 2.117 1.00 0.37 C ATOM 1305 O ARG A 90 15.229 4.460 1.894 1.00 0.48 O ATOM 1306 CB ARG A 90 13.273 6.425 0.478 1.00 0.41 C ATOM 1307 CG ARG A 90 12.594 6.706 -0.852 1.00 0.49 C ATOM 1308 CD ARG A 90 12.807 8.145 -1.292 1.00 0.72 C ATOM 1309 NE ARG A 90 12.258 9.097 -0.330 1.00 1.00 N ATOM 1310 CZ ARG A 90 12.154 10.402 -0.559 1.00 1.59 C ATOM 1311 NH1 ARG A 90 12.566 10.912 -1.713 1.00 1.82 N ATOM 1312 NH2 ARG A 90 11.637 11.199 0.366 1.00 2.10 N ATOM 0 H ARG A 90 11.191 5.628 1.637 1.00 0.31 H new ATOM 0 HA ARG A 90 13.295 4.299 0.157 1.00 0.37 H new ATOM 0 HB2 ARG A 90 12.885 7.115 1.228 1.00 0.41 H new ATOM 0 HB3 ARG A 90 14.340 6.625 0.382 1.00 0.41 H new ATOM 0 HG2 ARG A 90 12.986 6.030 -1.612 1.00 0.49 H new ATOM 0 HG3 ARG A 90 11.526 6.505 -0.766 1.00 0.49 H new ATOM 0 HD2 ARG A 90 13.873 8.332 -1.419 1.00 0.72 H new ATOM 0 HD3 ARG A 90 12.339 8.300 -2.264 1.00 0.72 H new ATOM 0 HE ARG A 90 11.936 8.740 0.569 1.00 1.00 H new ATOM 0 HH11 ARG A 90 12.964 10.302 -2.427 1.00 1.82 H new ATOM 0 HH12 ARG A 90 12.485 11.914 -1.886 1.00 1.82 H new ATOM 0 HH21 ARG A 90 11.319 10.811 1.254 1.00 2.10 H new ATOM 0 HH22 ARG A 90 11.557 12.200 0.190 1.00 2.10 H new ATOM 1326 N ASN A 91 13.526 4.715 3.341 1.00 0.32 N ATOM 1327 CA ASN A 91 14.344 4.452 4.520 1.00 0.36 C ATOM 1328 C ASN A 91 14.435 2.955 4.802 1.00 0.36 C ATOM 1329 O ASN A 91 15.307 2.508 5.548 1.00 0.42 O ATOM 1330 CB ASN A 91 13.769 5.178 5.737 1.00 0.38 C ATOM 1331 CG ASN A 91 14.081 6.663 5.733 1.00 0.44 C ATOM 1332 OD1 ASN A 91 14.257 7.234 4.545 1.00 1.11 O flip ATOM 1333 ND2 ASN A 91 14.167 7.292 6.788 1.00 1.14 N flip ATOM 0 H ASN A 91 12.545 4.909 3.543 1.00 0.32 H new ATOM 0 HA ASN A 91 15.349 4.825 4.322 1.00 0.36 H new ATOM 0 HB2 ASN A 91 12.688 5.038 5.762 1.00 0.38 H new ATOM 0 HB3 ASN A 91 14.170 4.729 6.646 1.00 0.38 H new ATOM 0 HD21 ASN A 91 14.025 6.816 7.679 1.00 1.14 H new ATOM 0 HD22 ASN A 91 14.380 8.289 6.771 1.00 1.14 H new ATOM 1340 N ALA A 92 13.530 2.188 4.204 1.00 0.32 N ATOM 1341 CA ALA A 92 13.508 0.740 4.389 1.00 0.34 C ATOM 1342 C ALA A 92 14.832 0.103 3.967 1.00 0.46 C ATOM 1343 O ALA A 92 15.724 -0.091 4.793 1.00 0.55 O ATOM 1344 CB ALA A 92 12.351 0.129 3.612 1.00 0.32 C ATOM 0 H ALA A 92 12.801 2.544 3.586 1.00 0.32 H new ATOM 0 HA ALA A 92 13.367 0.538 5.451 1.00 0.34 H new ATOM 0 HB1 ALA A 92 12.345 -0.951 3.758 1.00 0.32 H new ATOM 0 HB2 ALA A 92 11.411 0.549 3.970 1.00 0.32 H new ATOM 0 HB3 ALA A 92 12.467 0.351 2.551 1.00 0.32 H new ATOM 1350 N GLY A 93 14.954 -0.221 2.682 1.00 0.53 N ATOM 1351 CA GLY A 93 16.175 -0.835 2.182 1.00 0.68 C ATOM 1352 C GLY A 93 16.471 -2.166 2.845 1.00 0.66 C ATOM 1353 O GLY A 93 17.597 -2.660 2.787 1.00 0.76 O ATOM 0 H GLY A 93 14.231 -0.070 1.978 1.00 0.53 H new ATOM 0 HA2 GLY A 93 16.090 -0.981 1.105 1.00 0.68 H new ATOM 0 HA3 GLY A 93 17.012 -0.157 2.347 1.00 0.68 H new ATOM 1357 N ASN A 94 15.458 -2.742 3.483 1.00 0.54 N ATOM 1358 CA ASN A 94 15.605 -4.022 4.168 1.00 0.54 C ATOM 1359 C ASN A 94 14.296 -4.818 4.099 1.00 0.43 C ATOM 1360 O ASN A 94 13.306 -4.328 3.557 1.00 0.39 O ATOM 1361 CB ASN A 94 16.011 -3.776 5.625 1.00 0.59 C ATOM 1362 CG ASN A 94 17.374 -4.353 5.958 1.00 1.57 C ATOM 1363 OD1 ASN A 94 18.241 -4.455 4.955 1.00 1.93 O flip ATOM 1364 ND2 ASN A 94 17.646 -4.707 7.105 1.00 2.52 N flip ATOM 0 H ASN A 94 14.522 -2.341 3.540 1.00 0.54 H new ATOM 0 HA ASN A 94 16.382 -4.607 3.676 1.00 0.54 H new ATOM 0 HB2 ASN A 94 16.017 -2.704 5.820 1.00 0.59 H new ATOM 0 HB3 ASN A 94 15.264 -4.216 6.285 1.00 0.59 H new ATOM 0 HD21 ASN A 94 16.952 -4.612 7.846 1.00 2.52 H new ATOM 0 HD22 ASN A 94 18.566 -5.096 7.314 1.00 2.52 H new ATOM 1371 N PRO A 95 14.275 -6.074 4.605 1.00 0.41 N ATOM 1372 CA PRO A 95 13.055 -6.891 4.614 1.00 0.35 C ATOM 1373 C PRO A 95 11.949 -6.241 5.443 1.00 0.32 C ATOM 1374 O PRO A 95 11.939 -6.346 6.671 1.00 0.45 O ATOM 1375 CB PRO A 95 13.499 -8.213 5.252 1.00 0.44 C ATOM 1376 CG PRO A 95 14.980 -8.241 5.093 1.00 0.64 C ATOM 1377 CD PRO A 95 15.427 -6.809 5.158 1.00 0.51 C ATOM 0 HA PRO A 95 12.639 -7.017 3.614 1.00 0.35 H new ATOM 0 HB2 PRO A 95 13.214 -8.259 6.303 1.00 0.44 H new ATOM 0 HB3 PRO A 95 13.033 -9.066 4.758 1.00 0.44 H new ATOM 0 HG2 PRO A 95 15.447 -8.832 5.881 1.00 0.64 H new ATOM 0 HG3 PRO A 95 15.263 -8.696 4.144 1.00 0.64 H new ATOM 0 HD2 PRO A 95 15.648 -6.502 6.180 1.00 0.51 H new ATOM 0 HD3 PRO A 95 16.331 -6.642 4.572 1.00 0.51 H new ATOM 1385 N VAL A 96 11.020 -5.575 4.765 1.00 0.28 N ATOM 1386 CA VAL A 96 9.918 -4.893 5.438 1.00 0.33 C ATOM 1387 C VAL A 96 8.565 -5.494 5.064 1.00 0.28 C ATOM 1388 O VAL A 96 8.413 -6.100 4.004 1.00 0.30 O ATOM 1389 CB VAL A 96 9.912 -3.391 5.098 1.00 0.41 C ATOM 1390 CG1 VAL A 96 11.062 -2.681 5.800 1.00 0.64 C ATOM 1391 CG2 VAL A 96 9.992 -3.185 3.592 1.00 0.38 C ATOM 0 H VAL A 96 11.008 -5.492 3.748 1.00 0.28 H new ATOM 0 HA VAL A 96 10.074 -5.026 6.509 1.00 0.33 H new ATOM 0 HB VAL A 96 8.976 -2.960 5.453 1.00 0.41 H new ATOM 0 HG11 VAL A 96 11.043 -1.621 5.549 1.00 0.64 H new ATOM 0 HG12 VAL A 96 10.959 -2.800 6.879 1.00 0.64 H new ATOM 0 HG13 VAL A 96 12.009 -3.113 5.476 1.00 0.64 H new ATOM 0 HG21 VAL A 96 9.987 -2.118 3.370 1.00 0.38 H new ATOM 0 HG22 VAL A 96 10.912 -3.630 3.212 1.00 0.38 H new ATOM 0 HG23 VAL A 96 9.135 -3.659 3.114 1.00 0.38 H new ATOM 1401 N ARG A 97 7.585 -5.315 5.948 1.00 0.24 N ATOM 1402 CA ARG A 97 6.238 -5.828 5.726 1.00 0.22 C ATOM 1403 C ARG A 97 5.309 -4.708 5.267 1.00 0.18 C ATOM 1404 O ARG A 97 5.448 -3.559 5.693 1.00 0.18 O ATOM 1405 CB ARG A 97 5.693 -6.473 7.004 1.00 0.27 C ATOM 1406 CG ARG A 97 4.323 -7.110 6.828 1.00 0.69 C ATOM 1407 CD ARG A 97 3.928 -7.934 8.042 1.00 0.71 C ATOM 1408 NE ARG A 97 3.862 -7.128 9.257 1.00 1.21 N ATOM 1409 CZ ARG A 97 3.323 -7.553 10.395 1.00 1.38 C ATOM 1410 NH1 ARG A 97 2.808 -8.774 10.475 1.00 0.88 N ATOM 1411 NH2 ARG A 97 3.298 -6.760 11.458 1.00 2.37 N ATOM 0 H ARG A 97 7.702 -4.815 6.829 1.00 0.24 H new ATOM 0 HA ARG A 97 6.285 -6.586 4.944 1.00 0.22 H new ATOM 0 HB2 ARG A 97 6.396 -7.232 7.346 1.00 0.27 H new ATOM 0 HB3 ARG A 97 5.635 -5.716 7.787 1.00 0.27 H new ATOM 0 HG2 ARG A 97 3.579 -6.332 6.658 1.00 0.69 H new ATOM 0 HG3 ARG A 97 4.328 -7.745 5.942 1.00 0.69 H new ATOM 0 HD2 ARG A 97 2.959 -8.399 7.863 1.00 0.71 H new ATOM 0 HD3 ARG A 97 4.648 -8.741 8.182 1.00 0.71 H new ATOM 0 HE ARG A 97 4.251 -6.186 9.231 1.00 1.21 H new ATOM 0 HH11 ARG A 97 2.825 -9.389 9.662 1.00 0.88 H new ATOM 0 HH12 ARG A 97 2.395 -9.097 11.350 1.00 0.88 H new ATOM 0 HH21 ARG A 97 3.693 -5.821 11.403 1.00 2.37 H new ATOM 0 HH22 ARG A 97 2.884 -7.089 12.330 1.00 2.37 H new ATOM 1425 N LEU A 98 4.366 -5.049 4.397 1.00 0.19 N ATOM 1426 CA LEU A 98 3.423 -4.073 3.865 1.00 0.18 C ATOM 1427 C LEU A 98 1.980 -4.469 4.172 1.00 0.18 C ATOM 1428 O LEU A 98 1.431 -5.373 3.545 1.00 0.30 O ATOM 1429 CB LEU A 98 3.608 -3.947 2.353 1.00 0.23 C ATOM 1430 CG LEU A 98 5.062 -3.908 1.873 1.00 0.25 C ATOM 1431 CD1 LEU A 98 5.136 -4.173 0.378 1.00 0.30 C ATOM 1432 CD2 LEU A 98 5.701 -2.568 2.204 1.00 0.37 C ATOM 0 H LEU A 98 4.234 -5.997 4.044 1.00 0.19 H new ATOM 0 HA LEU A 98 3.623 -3.115 4.344 1.00 0.18 H new ATOM 0 HB2 LEU A 98 3.106 -4.786 1.871 1.00 0.23 H new ATOM 0 HB3 LEU A 98 3.107 -3.039 2.017 1.00 0.23 H new ATOM 0 HG LEU A 98 5.614 -4.691 2.393 1.00 0.25 H new ATOM 0 HD11 LEU A 98 6.176 -4.142 0.054 1.00 0.30 H new ATOM 0 HD12 LEU A 98 4.718 -5.156 0.162 1.00 0.30 H new ATOM 0 HD13 LEU A 98 4.567 -3.412 -0.155 1.00 0.30 H new ATOM 0 HD21 LEU A 98 6.733 -2.561 1.855 1.00 0.37 H new ATOM 0 HD22 LEU A 98 5.146 -1.769 1.712 1.00 0.37 H new ATOM 0 HD23 LEU A 98 5.682 -2.412 3.283 1.00 0.37 H new ATOM 1444 N LEU A 99 1.369 -3.787 5.138 1.00 0.18 N ATOM 1445 CA LEU A 99 -0.015 -4.069 5.510 1.00 0.19 C ATOM 1446 C LEU A 99 -0.969 -3.184 4.716 1.00 0.19 C ATOM 1447 O LEU A 99 -1.055 -1.979 4.953 1.00 0.21 O ATOM 1448 CB LEU A 99 -0.224 -3.853 7.012 1.00 0.22 C ATOM 1449 CG LEU A 99 -1.639 -4.141 7.520 1.00 0.29 C ATOM 1450 CD1 LEU A 99 -1.995 -5.607 7.321 1.00 0.37 C ATOM 1451 CD2 LEU A 99 -1.768 -3.756 8.985 1.00 0.36 C ATOM 0 H LEU A 99 1.808 -3.039 5.675 1.00 0.18 H new ATOM 0 HA LEU A 99 -0.226 -5.112 5.276 1.00 0.19 H new ATOM 0 HB2 LEU A 99 0.476 -4.488 7.555 1.00 0.22 H new ATOM 0 HB3 LEU A 99 0.028 -2.820 7.253 1.00 0.22 H new ATOM 0 HG LEU A 99 -2.339 -3.538 6.941 1.00 0.29 H new ATOM 0 HD11 LEU A 99 -3.005 -5.789 7.689 1.00 0.37 H new ATOM 0 HD12 LEU A 99 -1.945 -5.853 6.260 1.00 0.37 H new ATOM 0 HD13 LEU A 99 -1.290 -6.230 7.871 1.00 0.37 H new ATOM 0 HD21 LEU A 99 -2.780 -3.968 9.329 1.00 0.36 H new ATOM 0 HD22 LEU A 99 -1.056 -4.332 9.577 1.00 0.36 H new ATOM 0 HD23 LEU A 99 -1.560 -2.692 9.101 1.00 0.36 H new ATOM 1463 N LEU A 100 -1.683 -3.789 3.770 1.00 0.22 N ATOM 1464 CA LEU A 100 -2.618 -3.048 2.931 1.00 0.23 C ATOM 1465 C LEU A 100 -3.919 -3.819 2.724 1.00 0.24 C ATOM 1466 O LEU A 100 -4.013 -5.004 3.049 1.00 0.30 O ATOM 1467 CB LEU A 100 -1.973 -2.731 1.580 1.00 0.25 C ATOM 1468 CG LEU A 100 -0.998 -3.789 1.054 1.00 0.25 C ATOM 1469 CD1 LEU A 100 -1.723 -5.087 0.737 1.00 0.27 C ATOM 1470 CD2 LEU A 100 -0.269 -3.274 -0.177 1.00 0.31 C ATOM 0 H LEU A 100 -1.632 -4.787 3.566 1.00 0.22 H new ATOM 0 HA LEU A 100 -2.861 -2.117 3.443 1.00 0.23 H new ATOM 0 HB2 LEU A 100 -2.764 -2.591 0.843 1.00 0.25 H new ATOM 0 HB3 LEU A 100 -1.443 -1.782 1.663 1.00 0.25 H new ATOM 0 HG LEU A 100 -0.265 -3.992 1.834 1.00 0.25 H new ATOM 0 HD11 LEU A 100 -1.008 -5.821 0.365 1.00 0.27 H new ATOM 0 HD12 LEU A 100 -2.198 -5.468 1.641 1.00 0.27 H new ATOM 0 HD13 LEU A 100 -2.483 -4.903 -0.023 1.00 0.27 H new ATOM 0 HD21 LEU A 100 0.420 -4.038 -0.538 1.00 0.31 H new ATOM 0 HD22 LEU A 100 -0.993 -3.040 -0.957 1.00 0.31 H new ATOM 0 HD23 LEU A 100 0.290 -2.374 0.081 1.00 0.31 H new ATOM 1482 N ILE A 101 -4.918 -3.134 2.179 1.00 0.25 N ATOM 1483 CA ILE A 101 -6.217 -3.744 1.921 1.00 0.29 C ATOM 1484 C ILE A 101 -6.560 -3.695 0.435 1.00 0.32 C ATOM 1485 O ILE A 101 -6.276 -2.707 -0.247 1.00 0.32 O ATOM 1486 CB ILE A 101 -7.337 -3.040 2.716 1.00 0.34 C ATOM 1487 CG1 ILE A 101 -8.679 -3.743 2.483 1.00 0.38 C ATOM 1488 CG2 ILE A 101 -7.416 -1.573 2.319 1.00 0.37 C ATOM 1489 CD1 ILE A 101 -9.844 -3.099 3.205 1.00 0.45 C ATOM 0 H ILE A 101 -4.853 -2.153 1.907 1.00 0.25 H new ATOM 0 HA ILE A 101 -6.149 -4.783 2.244 1.00 0.29 H new ATOM 0 HB ILE A 101 -7.106 -3.096 3.780 1.00 0.34 H new ATOM 0 HG12 ILE A 101 -8.890 -3.756 1.414 1.00 0.38 H new ATOM 0 HG13 ILE A 101 -8.595 -4.781 2.804 1.00 0.38 H new ATOM 0 HG21 ILE A 101 -8.209 -1.085 2.885 1.00 0.37 H new ATOM 0 HG22 ILE A 101 -6.465 -1.086 2.534 1.00 0.37 H new ATOM 0 HG23 ILE A 101 -7.631 -1.496 1.253 1.00 0.37 H new ATOM 0 HD11 ILE A 101 -10.757 -3.654 2.990 1.00 0.45 H new ATOM 0 HD12 ILE A 101 -9.657 -3.110 4.279 1.00 0.45 H new ATOM 0 HD13 ILE A 101 -9.957 -2.069 2.867 1.00 0.45 H new ATOM 1501 N ARG A 102 -7.166 -4.769 -0.061 1.00 0.39 N ATOM 1502 CA ARG A 102 -7.554 -4.845 -1.466 1.00 0.46 C ATOM 1503 C ARG A 102 -8.510 -6.009 -1.699 1.00 0.60 C ATOM 1504 O ARG A 102 -8.324 -7.097 -1.156 1.00 0.81 O ATOM 1505 CB ARG A 102 -6.318 -4.989 -2.359 1.00 0.70 C ATOM 1506 CG ARG A 102 -6.644 -5.152 -3.837 1.00 1.27 C ATOM 1507 CD ARG A 102 -7.353 -3.927 -4.395 1.00 1.35 C ATOM 1508 NE ARG A 102 -7.734 -4.105 -5.793 1.00 1.49 N ATOM 1509 CZ ARG A 102 -8.804 -3.540 -6.343 1.00 1.87 C ATOM 1510 NH1 ARG A 102 -9.598 -2.766 -5.615 1.00 2.26 N ATOM 1511 NH2 ARG A 102 -9.083 -3.750 -7.622 1.00 2.20 N ATOM 0 H ARG A 102 -7.399 -5.597 0.487 1.00 0.39 H new ATOM 0 HA ARG A 102 -8.066 -3.919 -1.727 1.00 0.46 H new ATOM 0 HB2 ARG A 102 -5.684 -4.111 -2.231 1.00 0.70 H new ATOM 0 HB3 ARG A 102 -5.740 -5.851 -2.027 1.00 0.70 H new ATOM 0 HG2 ARG A 102 -5.724 -5.326 -4.396 1.00 1.27 H new ATOM 0 HG3 ARG A 102 -7.273 -6.031 -3.976 1.00 1.27 H new ATOM 0 HD2 ARG A 102 -8.243 -3.721 -3.800 1.00 1.35 H new ATOM 0 HD3 ARG A 102 -6.701 -3.058 -4.305 1.00 1.35 H new ATOM 0 HE ARG A 102 -7.146 -4.696 -6.381 1.00 1.49 H new ATOM 0 HH11 ARG A 102 -9.388 -2.603 -4.630 1.00 2.26 H new ATOM 0 HH12 ARG A 102 -10.418 -2.334 -6.040 1.00 2.26 H new ATOM 0 HH21 ARG A 102 -8.476 -4.346 -8.185 1.00 2.20 H new ATOM 0 HH22 ARG A 102 -9.904 -3.316 -8.043 1.00 2.20 H new ATOM 1525 N ARG A 103 -9.535 -5.769 -2.512 1.00 0.73 N ATOM 1526 CA ARG A 103 -10.525 -6.794 -2.816 1.00 1.00 C ATOM 1527 C ARG A 103 -9.893 -7.952 -3.580 1.00 1.16 C ATOM 1528 O ARG A 103 -9.013 -7.753 -4.417 1.00 1.23 O ATOM 1529 CB ARG A 103 -11.677 -6.194 -3.628 1.00 1.28 C ATOM 1530 CG ARG A 103 -12.775 -7.190 -3.966 1.00 2.01 C ATOM 1531 CD ARG A 103 -13.877 -6.543 -4.791 1.00 2.24 C ATOM 1532 NE ARG A 103 -14.924 -7.495 -5.153 1.00 2.73 N ATOM 1533 CZ ARG A 103 -15.796 -7.296 -6.139 1.00 3.09 C ATOM 1534 NH1 ARG A 103 -15.746 -6.182 -6.859 1.00 2.90 N ATOM 1535 NH2 ARG A 103 -16.719 -8.211 -6.406 1.00 3.93 N ATOM 0 H ARG A 103 -9.700 -4.873 -2.971 1.00 0.73 H new ATOM 0 HA ARG A 103 -10.917 -7.178 -1.874 1.00 1.00 H new ATOM 0 HB2 ARG A 103 -12.111 -5.366 -3.068 1.00 1.28 H new ATOM 0 HB3 ARG A 103 -11.279 -5.779 -4.554 1.00 1.28 H new ATOM 0 HG2 ARG A 103 -12.350 -8.029 -4.518 1.00 2.01 H new ATOM 0 HG3 ARG A 103 -13.197 -7.595 -3.046 1.00 2.01 H new ATOM 0 HD2 ARG A 103 -14.316 -5.720 -4.227 1.00 2.24 H new ATOM 0 HD3 ARG A 103 -13.447 -6.116 -5.697 1.00 2.24 H new ATOM 0 HE ARG A 103 -14.991 -8.362 -4.620 1.00 2.73 H new ATOM 0 HH11 ARG A 103 -15.038 -5.476 -6.657 1.00 2.90 H new ATOM 0 HH12 ARG A 103 -16.415 -6.032 -7.614 1.00 2.90 H new ATOM 0 HH21 ARG A 103 -16.761 -9.069 -5.855 1.00 3.93 H new ATOM 0 HH22 ARG A 103 -17.386 -8.057 -7.162 1.00 3.93 H new ATOM 1549 N LEU A 104 -10.352 -9.162 -3.282 1.00 1.32 N ATOM 1550 CA LEU A 104 -9.835 -10.364 -3.926 1.00 1.57 C ATOM 1551 C LEU A 104 -10.701 -10.764 -5.120 1.00 1.89 C ATOM 1552 O LEU A 104 -11.910 -10.533 -5.122 1.00 2.00 O ATOM 1553 CB LEU A 104 -9.785 -11.510 -2.916 1.00 1.68 C ATOM 1554 CG LEU A 104 -9.072 -11.181 -1.606 1.00 1.43 C ATOM 1555 CD1 LEU A 104 -9.597 -12.059 -0.481 1.00 1.46 C ATOM 1556 CD2 LEU A 104 -7.568 -11.350 -1.761 1.00 1.55 C ATOM 0 H LEU A 104 -11.085 -9.337 -2.595 1.00 1.32 H new ATOM 0 HA LEU A 104 -8.829 -10.152 -4.289 1.00 1.57 H new ATOM 0 HB2 LEU A 104 -10.805 -11.820 -2.690 1.00 1.68 H new ATOM 0 HB3 LEU A 104 -9.288 -12.362 -3.379 1.00 1.68 H new ATOM 0 HG LEU A 104 -9.275 -10.140 -1.353 1.00 1.43 H new ATOM 0 HD11 LEU A 104 -9.079 -11.812 0.445 1.00 1.46 H new ATOM 0 HD12 LEU A 104 -10.666 -11.889 -0.355 1.00 1.46 H new ATOM 0 HD13 LEU A 104 -9.423 -13.107 -0.726 1.00 1.46 H new ATOM 0 HD21 LEU A 104 -7.076 -11.111 -0.818 1.00 1.55 H new ATOM 0 HD22 LEU A 104 -7.344 -12.381 -2.037 1.00 1.55 H new ATOM 0 HD23 LEU A 104 -7.205 -10.679 -2.540 1.00 1.55 H new ATOM 1568 N PRO A 105 -10.089 -11.370 -6.157 1.00 2.13 N ATOM 1569 CA PRO A 105 -10.805 -11.807 -7.360 1.00 2.48 C ATOM 1570 C PRO A 105 -11.501 -13.148 -7.165 1.00 2.69 C ATOM 1571 O PRO A 105 -11.214 -14.121 -7.861 1.00 2.98 O ATOM 1572 CB PRO A 105 -9.683 -11.935 -8.381 1.00 2.64 C ATOM 1573 CG PRO A 105 -8.529 -12.398 -7.565 1.00 2.51 C ATOM 1574 CD PRO A 105 -8.646 -11.675 -6.248 1.00 2.16 C ATOM 0 HA PRO A 105 -11.599 -11.118 -7.647 1.00 2.48 H new ATOM 0 HB2 PRO A 105 -9.933 -12.649 -9.166 1.00 2.64 H new ATOM 0 HB3 PRO A 105 -9.474 -10.984 -8.870 1.00 2.64 H new ATOM 0 HG2 PRO A 105 -8.558 -13.478 -7.423 1.00 2.51 H new ATOM 0 HG3 PRO A 105 -7.584 -12.167 -8.056 1.00 2.51 H new ATOM 0 HD2 PRO A 105 -8.313 -12.296 -5.417 1.00 2.16 H new ATOM 0 HD3 PRO A 105 -8.041 -10.768 -6.231 1.00 2.16 H new ATOM 1582 N LEU A 106 -12.418 -13.182 -6.214 1.00 2.81 N ATOM 1583 CA LEU A 106 -13.165 -14.398 -5.912 1.00 3.01 C ATOM 1584 C LEU A 106 -14.207 -14.679 -6.990 1.00 3.44 C ATOM 1585 O LEU A 106 -15.011 -13.812 -7.332 1.00 3.67 O ATOM 1586 CB LEU A 106 -13.842 -14.279 -4.545 1.00 2.96 C ATOM 1587 CG LEU A 106 -12.903 -13.955 -3.380 1.00 2.78 C ATOM 1588 CD1 LEU A 106 -13.692 -13.768 -2.095 1.00 2.74 C ATOM 1589 CD2 LEU A 106 -11.859 -15.049 -3.212 1.00 3.01 C ATOM 0 H LEU A 106 -12.666 -12.381 -5.634 1.00 2.81 H new ATOM 0 HA LEU A 106 -12.462 -15.231 -5.889 1.00 3.01 H new ATOM 0 HB2 LEU A 106 -14.606 -13.504 -4.602 1.00 2.96 H new ATOM 0 HB3 LEU A 106 -14.355 -15.216 -4.328 1.00 2.96 H new ATOM 0 HG LEU A 106 -12.387 -13.022 -3.606 1.00 2.78 H new ATOM 0 HD11 LEU A 106 -13.008 -13.538 -1.278 1.00 2.74 H new ATOM 0 HD12 LEU A 106 -14.399 -12.947 -2.218 1.00 2.74 H new ATOM 0 HD13 LEU A 106 -14.236 -14.684 -1.866 1.00 2.74 H new ATOM 0 HD21 LEU A 106 -11.202 -14.800 -2.379 1.00 3.01 H new ATOM 0 HD22 LEU A 106 -12.356 -15.998 -3.011 1.00 3.01 H new ATOM 0 HD23 LEU A 106 -11.271 -15.134 -4.126 1.00 3.01 H new ATOM 1601 N LEU A 107 -14.184 -15.898 -7.520 1.00 3.72 N ATOM 1602 CA LEU A 107 -15.122 -16.301 -8.562 1.00 4.24 C ATOM 1603 C LEU A 107 -16.516 -16.531 -7.987 1.00 4.27 C ATOM 1604 O LEU A 107 -16.725 -17.451 -7.196 1.00 4.13 O ATOM 1605 CB LEU A 107 -14.631 -17.573 -9.264 1.00 4.67 C ATOM 1606 CG LEU A 107 -13.442 -17.393 -10.215 1.00 4.91 C ATOM 1607 CD1 LEU A 107 -13.807 -16.450 -11.347 1.00 5.59 C ATOM 1608 CD2 LEU A 107 -12.217 -16.886 -9.465 1.00 4.58 C ATOM 0 H LEU A 107 -13.524 -16.625 -7.244 1.00 3.72 H new ATOM 0 HA LEU A 107 -15.179 -15.492 -9.290 1.00 4.24 H new ATOM 0 HB2 LEU A 107 -14.356 -18.303 -8.502 1.00 4.67 H new ATOM 0 HB3 LEU A 107 -15.462 -17.998 -9.827 1.00 4.67 H new ATOM 0 HG LEU A 107 -13.196 -18.365 -10.641 1.00 4.91 H new ATOM 0 HD11 LEU A 107 -12.952 -16.333 -12.013 1.00 5.59 H new ATOM 0 HD12 LEU A 107 -14.648 -16.860 -11.905 1.00 5.59 H new ATOM 0 HD13 LEU A 107 -14.083 -15.479 -10.937 1.00 5.59 H new ATOM 0 HD21 LEU A 107 -11.387 -16.767 -10.162 1.00 4.58 H new ATOM 0 HD22 LEU A 107 -12.445 -15.925 -9.004 1.00 4.58 H new ATOM 0 HD23 LEU A 107 -11.941 -17.603 -8.692 1.00 4.58 H new ATOM 1620 N GLU A 108 -17.463 -15.689 -8.393 1.00 4.57 N ATOM 1621 CA GLU A 108 -18.843 -15.793 -7.926 1.00 4.71 C ATOM 1622 C GLU A 108 -18.914 -15.724 -6.402 1.00 5.10 C ATOM 1623 O GLU A 108 -19.008 -14.600 -5.865 1.00 5.66 O ATOM 1624 CB GLU A 108 -19.478 -17.094 -8.424 1.00 5.08 C ATOM 1625 CG GLU A 108 -20.959 -17.213 -8.106 1.00 5.36 C ATOM 1626 CD GLU A 108 -21.567 -18.501 -8.627 1.00 5.66 C ATOM 1627 OE1 GLU A 108 -21.993 -18.524 -9.800 1.00 6.00 O ATOM 1628 OE2 GLU A 108 -21.616 -19.487 -7.862 1.00 5.89 O ATOM 1629 OXT GLU A 108 -18.876 -16.794 -5.757 1.00 5.19 O ATOM 0 H GLU A 108 -17.299 -14.924 -9.047 1.00 4.57 H new ATOM 0 HA GLU A 108 -19.400 -14.949 -8.332 1.00 4.71 H new ATOM 0 HB2 GLU A 108 -19.341 -17.165 -9.503 1.00 5.08 H new ATOM 0 HB3 GLU A 108 -18.951 -17.938 -7.979 1.00 5.08 H new ATOM 0 HG2 GLU A 108 -21.100 -17.160 -7.026 1.00 5.36 H new ATOM 0 HG3 GLU A 108 -21.489 -16.365 -8.539 1.00 5.36 H new TER 1636 GLU A 108