USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 946 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 71 LYS NZ :NH3+ 173:sc= 0.702 (180deg=0) USER MOD Set 1.2: A 73 SER OG : rot 140:sc= 0.627 USER MOD Set 2.1: A 37 SER OG : rot 59:sc= 1.72 USER MOD Set 2.2: A 39 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 78 HIS : no HD1:sc= -0.159 X(o=2.8,f=2.9) USER MOD Set 2.4: A 80 SER OG : rot 122:sc= 1.26 USER MOD Set 3.1: A 26 TYR OH : rot -141:sc= 0.671 USER MOD Set 3.2: A 93 THR OG1 : rot -41:sc= 0.611 USER MOD Set 4.1: A 9 GLN : amide:sc= 1.09 K(o=2.5,f=0.49) USER MOD Set 4.2: A 11 HIS : no HE2:sc= 0.456 K(o=2.5,f=-0.83) USER MOD Set 4.3: A 18 THR OG1 : rot -143:sc= 0.913 USER MOD Single : A 1 GLY N :NH3+ -139:sc= 0.128 (180deg=0) USER MOD Single : A 2 MET CE :methyl -168:sc= -0.209 (180deg=-0.508) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HE2:sc= -0.444 X(o=-0.44,f=-0.34) USER MOD Single : A 43 GLN :FLIP amide:sc= 0.297 F(o=-2.8!,f=0.3) USER MOD Single : A 45 HIS : no HD1:sc= -0.423 X(o=-0.42,f=-0.013) USER MOD Single : A 47 ASN : amide:sc= 0.574 K(o=0.57,f=-0.017) USER MOD Single : A 51 GLN : amide:sc= -1.21 K(o=-1.2,f=-2.5) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -103:sc= -0.603 (180deg=-2.29!) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 67 GLN : amide:sc= -0.0362 K(o=-0.036,f=-1) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0559 USER MOD Single : A 87 TYR OH : rot -153:sc= 0.696 USER MOD Single : A 89 TYR OH : rot -68:sc= 0.537 USER MOD Single : A 95 LYS NZ :NH3+ -136:sc= 1.94 (180deg=0.503) USER MOD Single : A 97 GLN : amide:sc= -0.0638 X(o=-0.064,f=-0.064) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 176:sc= 1.35 (180deg=1.24) USER MOD Single : A 112 SER OG : rot 127:sc= 0.00855 USER MOD Single : A 118 SER OG : rot 150:sc= -0.912 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.830 -1.395 9.717 1.00 51.34 N ATOM 2 CA GLY A 1 22.630 -0.205 8.889 1.00 44.24 C ATOM 3 C GLY A 1 21.240 -0.211 8.285 1.00 24.33 C ATOM 4 O GLY A 1 20.375 -0.966 8.727 1.00 4.50 O ATOM 0 H1 GLY A 1 23.340 -1.133 10.585 1.00 51.34 H new ATOM 0 H2 GLY A 1 21.907 -1.803 9.968 1.00 51.34 H new ATOM 0 H3 GLY A 1 23.386 -2.097 9.188 1.00 51.34 H new ATOM 0 HA2 GLY A 1 22.768 0.693 9.492 1.00 44.24 H new ATOM 0 HA3 GLY A 1 23.378 -0.175 8.097 1.00 44.24 H new ATOM 8 N MET A 2 21.004 0.643 7.291 1.00 44.15 N ATOM 9 CA MET A 2 19.702 0.831 6.676 1.00 72.15 C ATOM 10 C MET A 2 19.192 -0.475 6.073 1.00 41.44 C ATOM 11 O MET A 2 19.895 -1.157 5.320 1.00 53.15 O ATOM 12 CB MET A 2 19.765 1.960 5.649 1.00 0.21 C ATOM 13 CG MET A 2 18.409 2.632 5.449 1.00 15.53 C ATOM 14 SD MET A 2 18.417 4.083 4.349 1.00 12.51 S ATOM 15 CE MET A 2 19.839 5.048 4.934 1.00 61.13 C ATOM 0 H MET A 2 21.731 1.233 6.886 1.00 44.15 H new ATOM 0 HA MET A 2 18.984 1.124 7.442 1.00 72.15 H new ATOM 0 HB2 MET A 2 20.493 2.704 5.973 1.00 0.21 H new ATOM 0 HB3 MET A 2 20.116 1.564 4.696 1.00 0.21 H new ATOM 0 HG2 MET A 2 17.712 1.896 5.048 1.00 15.53 H new ATOM 0 HG3 MET A 2 18.025 2.936 6.423 1.00 15.53 H new ATOM 0 HE1 MET A 2 19.813 6.041 4.486 1.00 61.13 H new ATOM 0 HE2 MET A 2 19.796 5.138 6.019 1.00 61.13 H new ATOM 0 HE3 MET A 2 20.763 4.545 4.648 1.00 61.13 H new ATOM 25 N ARG A 3 17.953 -0.801 6.415 1.00 73.15 N ATOM 26 CA ARG A 3 17.171 -1.902 5.877 1.00 2.24 C ATOM 27 C ARG A 3 16.806 -1.576 4.434 1.00 24.00 C ATOM 28 O ARG A 3 15.730 -1.049 4.184 1.00 12.31 O ATOM 29 CB ARG A 3 15.923 -2.097 6.773 1.00 11.40 C ATOM 30 CG ARG A 3 16.103 -3.082 7.937 1.00 64.04 C ATOM 31 CD ARG A 3 15.901 -4.543 7.510 1.00 61.44 C ATOM 32 NE ARG A 3 17.114 -5.134 6.928 1.00 15.21 N ATOM 33 CZ ARG A 3 17.310 -6.432 6.681 1.00 23.11 C ATOM 34 NH1 ARG A 3 16.362 -7.340 6.896 1.00 2.43 N ATOM 35 NH2 ARG A 3 18.489 -6.812 6.225 1.00 53.33 N ATOM 0 H ARG A 3 17.438 -0.271 7.118 1.00 73.15 H new ATOM 0 HA ARG A 3 17.732 -2.837 5.875 1.00 2.24 H new ATOM 0 HB2 ARG A 3 15.632 -1.128 7.179 1.00 11.40 H new ATOM 0 HB3 ARG A 3 15.098 -2.442 6.150 1.00 11.40 H new ATOM 0 HG2 ARG A 3 17.102 -2.965 8.356 1.00 64.04 H new ATOM 0 HG3 ARG A 3 15.394 -2.837 8.728 1.00 64.04 H new ATOM 0 HD2 ARG A 3 15.593 -5.131 8.375 1.00 61.44 H new ATOM 0 HD3 ARG A 3 15.090 -4.597 6.783 1.00 61.44 H new ATOM 0 HE ARG A 3 17.874 -4.496 6.692 1.00 15.21 H new ATOM 0 HH11 ARG A 3 15.454 -7.052 7.260 1.00 2.43 H new ATOM 0 HH12 ARG A 3 16.544 -8.324 6.697 1.00 2.43 H new ATOM 0 HH21 ARG A 3 19.223 -6.121 6.070 1.00 53.33 H new ATOM 0 HH22 ARG A 3 18.666 -7.797 6.028 1.00 53.33 H new ATOM 49 N ILE A 4 17.691 -1.880 3.486 1.00 20.34 N ATOM 50 CA ILE A 4 17.459 -1.673 2.057 1.00 1.31 C ATOM 51 C ILE A 4 17.365 -3.054 1.401 1.00 60.41 C ATOM 52 O ILE A 4 18.240 -3.892 1.649 1.00 60.31 O ATOM 53 CB ILE A 4 18.562 -0.792 1.422 1.00 31.14 C ATOM 54 CG1 ILE A 4 18.764 0.491 2.256 1.00 40.45 C ATOM 55 CG2 ILE A 4 18.175 -0.477 -0.034 1.00 12.00 C ATOM 56 CD1 ILE A 4 19.711 1.518 1.642 1.00 2.24 C ATOM 0 H ILE A 4 18.605 -2.284 3.693 1.00 20.34 H new ATOM 0 HA ILE A 4 16.528 -1.128 1.898 1.00 1.31 H new ATOM 0 HB ILE A 4 19.513 -1.325 1.417 1.00 31.14 H new ATOM 0 HG12 ILE A 4 17.793 0.962 2.411 1.00 40.45 H new ATOM 0 HG13 ILE A 4 19.144 0.211 3.239 1.00 40.45 H new ATOM 0 HG21 ILE A 4 18.947 0.144 -0.489 1.00 12.00 H new ATOM 0 HG22 ILE A 4 18.080 -1.407 -0.594 1.00 12.00 H new ATOM 0 HG23 ILE A 4 17.224 0.056 -0.051 1.00 12.00 H new ATOM 0 HD11 ILE A 4 19.787 2.383 2.301 1.00 2.24 H new ATOM 0 HD12 ILE A 4 20.697 1.072 1.513 1.00 2.24 H new ATOM 0 HD13 ILE A 4 19.326 1.834 0.673 1.00 2.24 H new ATOM 68 N PRO A 5 16.327 -3.342 0.598 1.00 0.12 N ATOM 69 CA PRO A 5 16.211 -4.597 -0.114 1.00 74.15 C ATOM 70 C PRO A 5 17.262 -4.764 -1.194 1.00 41.34 C ATOM 71 O PRO A 5 18.055 -3.875 -1.512 1.00 33.20 O ATOM 72 CB PRO A 5 14.777 -4.673 -0.664 1.00 31.33 C ATOM 73 CG PRO A 5 14.280 -3.240 -0.629 1.00 23.13 C ATOM 74 CD PRO A 5 15.096 -2.581 0.477 1.00 61.13 C ATOM 0 HA PRO A 5 16.398 -5.428 0.565 1.00 74.15 H new ATOM 0 HB2 PRO A 5 14.761 -5.074 -1.678 1.00 31.33 H new ATOM 0 HB3 PRO A 5 14.152 -5.325 -0.054 1.00 31.33 H new ATOM 0 HG2 PRO A 5 14.434 -2.743 -1.587 1.00 23.13 H new ATOM 0 HG3 PRO A 5 13.212 -3.195 -0.415 1.00 23.13 H new ATOM 0 HD2 PRO A 5 15.307 -1.540 0.234 1.00 61.13 H new ATOM 0 HD3 PRO A 5 14.546 -2.583 1.418 1.00 61.13 H new ATOM 82 N SER A 6 17.242 -5.958 -1.767 1.00 63.21 N ATOM 83 CA SER A 6 17.994 -6.334 -2.950 1.00 64.23 C ATOM 84 C SER A 6 17.086 -7.018 -3.975 1.00 22.42 C ATOM 85 O SER A 6 17.498 -7.223 -5.120 1.00 3.40 O ATOM 86 CB SER A 6 19.168 -7.210 -2.541 1.00 23.50 C ATOM 87 OG SER A 6 20.001 -6.522 -1.612 1.00 42.31 O ATOM 0 H SER A 6 16.675 -6.724 -1.402 1.00 63.21 H new ATOM 0 HA SER A 6 18.391 -5.442 -3.434 1.00 64.23 H new ATOM 0 HB2 SER A 6 18.802 -8.135 -2.095 1.00 23.50 H new ATOM 0 HB3 SER A 6 19.747 -7.488 -3.422 1.00 23.50 H new ATOM 0 HG SER A 6 20.751 -7.098 -1.356 1.00 42.31 H new ATOM 93 N ALA A 7 15.843 -7.349 -3.600 1.00 61.43 N ATOM 94 CA ALA A 7 14.799 -7.696 -4.544 1.00 32.51 C ATOM 95 C ALA A 7 13.618 -6.758 -4.327 1.00 43.01 C ATOM 96 O ALA A 7 13.004 -6.762 -3.262 1.00 3.01 O ATOM 97 CB ALA A 7 14.468 -9.187 -4.418 1.00 54.35 C ATOM 0 H ALA A 7 15.543 -7.381 -2.626 1.00 61.43 H new ATOM 0 HA ALA A 7 15.118 -7.557 -5.577 1.00 32.51 H new ATOM 0 HB1 ALA A 7 13.683 -9.447 -5.128 1.00 54.35 H new ATOM 0 HB2 ALA A 7 15.360 -9.777 -4.631 1.00 54.35 H new ATOM 0 HB3 ALA A 7 14.126 -9.399 -3.405 1.00 54.35 H new ATOM 103 N ILE A 8 13.360 -5.925 -5.331 1.00 71.41 N ATOM 104 CA ILE A 8 12.152 -5.143 -5.499 1.00 43.04 C ATOM 105 C ILE A 8 11.493 -5.792 -6.712 1.00 60.53 C ATOM 106 O ILE A 8 11.709 -5.410 -7.862 1.00 55.13 O ATOM 107 CB ILE A 8 12.511 -3.663 -5.725 1.00 53.21 C ATOM 108 CG1 ILE A 8 13.180 -2.979 -4.521 1.00 54.43 C ATOM 109 CG2 ILE A 8 11.296 -2.855 -6.188 1.00 75.42 C ATOM 110 CD1 ILE A 8 12.273 -2.881 -3.298 1.00 3.00 C ATOM 0 H ILE A 8 14.028 -5.774 -6.087 1.00 71.41 H new ATOM 0 HA ILE A 8 11.488 -5.139 -4.635 1.00 43.04 H new ATOM 0 HB ILE A 8 13.259 -3.677 -6.518 1.00 53.21 H new ATOM 0 HG12 ILE A 8 14.080 -3.532 -4.253 1.00 54.43 H new ATOM 0 HG13 ILE A 8 13.496 -1.977 -4.811 1.00 54.43 H new ATOM 0 HG21 ILE A 8 11.586 -1.815 -6.338 1.00 75.42 H new ATOM 0 HG22 ILE A 8 10.922 -3.266 -7.126 1.00 75.42 H new ATOM 0 HG23 ILE A 8 10.514 -2.908 -5.431 1.00 75.42 H new ATOM 0 HD11 ILE A 8 12.808 -2.388 -2.486 1.00 3.00 H new ATOM 0 HD12 ILE A 8 11.384 -2.303 -3.550 1.00 3.00 H new ATOM 0 HD13 ILE A 8 11.978 -3.882 -2.983 1.00 3.00 H new ATOM 122 N GLN A 9 10.756 -6.861 -6.464 1.00 14.40 N ATOM 123 CA GLN A 9 9.990 -7.535 -7.492 1.00 74.32 C ATOM 124 C GLN A 9 8.672 -6.797 -7.597 1.00 72.53 C ATOM 125 O GLN A 9 7.812 -6.989 -6.755 1.00 41.14 O ATOM 126 CB GLN A 9 9.807 -9.004 -7.117 1.00 35.24 C ATOM 127 CG GLN A 9 10.844 -9.865 -7.826 1.00 64.52 C ATOM 128 CD GLN A 9 10.904 -11.261 -7.212 1.00 41.33 C ATOM 129 OE1 GLN A 9 11.978 -11.727 -6.837 1.00 72.53 O ATOM 130 NE2 GLN A 9 9.776 -11.931 -7.062 1.00 20.11 N ATOM 0 H GLN A 9 10.673 -7.285 -5.540 1.00 14.40 H new ATOM 0 HA GLN A 9 10.493 -7.525 -8.459 1.00 74.32 H new ATOM 0 HB2 GLN A 9 9.901 -9.125 -6.038 1.00 35.24 H new ATOM 0 HB3 GLN A 9 8.804 -9.333 -7.389 1.00 35.24 H new ATOM 0 HG2 GLN A 9 10.598 -9.939 -8.885 1.00 64.52 H new ATOM 0 HG3 GLN A 9 11.823 -9.391 -7.759 1.00 64.52 H new ATOM 0 HE21 GLN A 9 8.896 -11.526 -7.380 1.00 20.11 H new ATOM 0 HE22 GLN A 9 9.785 -12.854 -6.628 1.00 20.11 H new ATOM 139 N LEU A 10 8.534 -5.922 -8.590 1.00 64.42 N ATOM 140 CA LEU A 10 7.313 -5.135 -8.820 1.00 15.13 C ATOM 141 C LEU A 10 6.140 -5.998 -9.304 1.00 42.01 C ATOM 142 O LEU A 10 4.985 -5.697 -9.009 1.00 1.21 O ATOM 143 CB LEU A 10 7.675 -3.924 -9.713 1.00 33.24 C ATOM 144 CG LEU A 10 6.830 -3.502 -10.934 1.00 31.23 C ATOM 145 CD1 LEU A 10 5.333 -3.287 -10.732 1.00 74.25 C ATOM 146 CD2 LEU A 10 7.414 -2.175 -11.429 1.00 35.22 C ATOM 0 H LEU A 10 9.272 -5.733 -9.268 1.00 64.42 H new ATOM 0 HA LEU A 10 6.931 -4.733 -7.882 1.00 15.13 H new ATOM 0 HB2 LEU A 10 7.723 -3.057 -9.055 1.00 33.24 H new ATOM 0 HB3 LEU A 10 8.685 -4.101 -10.081 1.00 33.24 H new ATOM 0 HG LEU A 10 6.890 -4.344 -11.623 1.00 31.23 H new ATOM 0 HD11 LEU A 10 4.877 -2.995 -11.678 1.00 74.25 H new ATOM 0 HD12 LEU A 10 4.877 -4.212 -10.380 1.00 74.25 H new ATOM 0 HD13 LEU A 10 5.175 -2.500 -9.994 1.00 74.25 H new ATOM 0 HD21 LEU A 10 6.850 -1.830 -12.296 1.00 35.22 H new ATOM 0 HD22 LEU A 10 7.350 -1.431 -10.635 1.00 35.22 H new ATOM 0 HD23 LEU A 10 8.458 -2.319 -11.709 1.00 35.22 H new ATOM 158 N HIS A 11 6.450 -7.084 -10.012 1.00 14.44 N ATOM 159 CA HIS A 11 5.523 -7.939 -10.747 1.00 0.31 C ATOM 160 C HIS A 11 4.545 -7.104 -11.579 1.00 62.53 C ATOM 161 O HIS A 11 3.361 -6.990 -11.260 1.00 40.03 O ATOM 162 CB HIS A 11 4.816 -8.959 -9.840 1.00 14.22 C ATOM 163 CG HIS A 11 5.713 -10.049 -9.322 1.00 40.03 C ATOM 164 ND1 HIS A 11 5.955 -11.247 -9.959 1.00 2.13 N ATOM 165 CD2 HIS A 11 6.359 -10.076 -8.115 1.00 54.02 C ATOM 166 CE1 HIS A 11 6.758 -11.975 -9.169 1.00 61.41 C ATOM 167 NE2 HIS A 11 7.034 -11.301 -8.042 1.00 13.44 N ATOM 0 H HIS A 11 7.414 -7.408 -10.091 1.00 14.44 H new ATOM 0 HA HIS A 11 6.112 -8.533 -11.446 1.00 0.31 H new ATOM 0 HB2 HIS A 11 4.377 -8.432 -8.993 1.00 14.22 H new ATOM 0 HB3 HIS A 11 3.994 -9.413 -10.394 1.00 14.22 H new ATOM 0 HD1 HIS A 11 5.589 -11.529 -10.868 1.00 2.13 H new ATOM 0 HD2 HIS A 11 6.350 -9.301 -7.363 1.00 54.02 H new ATOM 0 HE1 HIS A 11 7.129 -12.961 -9.406 1.00 61.41 H new ATOM 175 N LYS A 12 5.033 -6.542 -12.693 1.00 75.22 N ATOM 176 CA LYS A 12 4.210 -5.797 -13.649 1.00 13.43 C ATOM 177 C LYS A 12 2.932 -6.564 -14.017 1.00 22.31 C ATOM 178 O LYS A 12 1.905 -5.923 -14.221 1.00 60.11 O ATOM 179 CB LYS A 12 5.025 -5.468 -14.917 1.00 43.44 C ATOM 180 CG LYS A 12 5.859 -4.172 -14.872 1.00 24.13 C ATOM 181 CD LYS A 12 4.976 -2.933 -15.091 1.00 52.32 C ATOM 182 CE LYS A 12 5.706 -1.584 -15.174 1.00 43.01 C ATOM 183 NZ LYS A 12 6.670 -1.464 -16.296 1.00 61.35 N ATOM 0 H LYS A 12 6.017 -6.593 -12.956 1.00 75.22 H new ATOM 0 HA LYS A 12 3.908 -4.866 -13.170 1.00 13.43 H new ATOM 0 HB2 LYS A 12 5.698 -6.302 -15.118 1.00 43.44 H new ATOM 0 HB3 LYS A 12 4.337 -5.404 -15.760 1.00 43.44 H new ATOM 0 HG2 LYS A 12 6.365 -4.095 -13.909 1.00 24.13 H new ATOM 0 HG3 LYS A 12 6.634 -4.209 -15.637 1.00 24.13 H new ATOM 0 HD2 LYS A 12 4.411 -3.074 -16.013 1.00 52.32 H new ATOM 0 HD3 LYS A 12 4.252 -2.881 -14.278 1.00 52.32 H new ATOM 0 HE2 LYS A 12 4.964 -0.791 -15.265 1.00 43.01 H new ATOM 0 HE3 LYS A 12 6.238 -1.417 -14.237 1.00 43.01 H new ATOM 0 HZ1 LYS A 12 7.114 -0.524 -16.273 1.00 61.35 H new ATOM 0 HZ2 LYS A 12 7.403 -2.195 -16.203 1.00 61.35 H new ATOM 0 HZ3 LYS A 12 6.169 -1.589 -17.199 1.00 61.35 H new ATOM 197 N ALA A 13 2.960 -7.900 -14.083 1.00 54.23 N ATOM 198 CA ALA A 13 1.820 -8.682 -14.546 1.00 41.24 C ATOM 199 C ALA A 13 0.640 -8.747 -13.559 1.00 24.21 C ATOM 200 O ALA A 13 -0.453 -9.081 -14.014 1.00 40.43 O ATOM 201 CB ALA A 13 2.286 -10.093 -14.922 1.00 55.25 C ATOM 0 H ALA A 13 3.769 -8.461 -13.818 1.00 54.23 H new ATOM 0 HA ALA A 13 1.429 -8.160 -15.419 1.00 41.24 H new ATOM 0 HB1 ALA A 13 1.434 -10.678 -15.268 1.00 55.25 H new ATOM 0 HB2 ALA A 13 3.030 -10.031 -15.716 1.00 55.25 H new ATOM 0 HB3 ALA A 13 2.726 -10.575 -14.049 1.00 55.25 H new ATOM 207 N SER A 14 0.797 -8.459 -12.257 1.00 42.34 N ATOM 208 CA SER A 14 -0.318 -8.441 -11.284 1.00 23.30 C ATOM 209 C SER A 14 -0.175 -7.364 -10.193 1.00 54.22 C ATOM 210 O SER A 14 -1.021 -7.264 -9.305 1.00 35.42 O ATOM 211 CB SER A 14 -0.514 -9.830 -10.648 1.00 60.42 C ATOM 212 OG SER A 14 -1.802 -10.345 -10.932 1.00 34.22 O ATOM 0 H SER A 14 1.701 -8.231 -11.844 1.00 42.34 H new ATOM 0 HA SER A 14 -1.206 -8.176 -11.857 1.00 23.30 H new ATOM 0 HB2 SER A 14 0.246 -10.515 -11.023 1.00 60.42 H new ATOM 0 HB3 SER A 14 -0.376 -9.762 -9.569 1.00 60.42 H new ATOM 0 HG SER A 14 -1.900 -11.228 -10.518 1.00 34.22 H new ATOM 218 N LYS A 15 0.831 -6.495 -10.303 1.00 42.04 N ATOM 219 CA LYS A 15 1.149 -5.419 -9.384 1.00 11.03 C ATOM 220 C LYS A 15 1.300 -5.937 -7.946 1.00 41.44 C ATOM 221 O LYS A 15 0.521 -5.590 -7.059 1.00 43.43 O ATOM 222 CB LYS A 15 0.144 -4.273 -9.567 1.00 75.11 C ATOM 223 CG LYS A 15 -0.154 -3.887 -11.030 1.00 4.12 C ATOM 224 CD LYS A 15 -1.463 -4.518 -11.524 1.00 22.44 C ATOM 225 CE LYS A 15 -2.221 -3.654 -12.540 1.00 22.41 C ATOM 226 NZ LYS A 15 -1.758 -3.853 -13.925 1.00 75.12 N ATOM 0 H LYS A 15 1.482 -6.533 -11.088 1.00 42.04 H new ATOM 0 HA LYS A 15 2.128 -4.999 -9.615 1.00 11.03 H new ATOM 0 HB2 LYS A 15 -0.792 -4.552 -9.084 1.00 75.11 H new ATOM 0 HB3 LYS A 15 0.522 -3.393 -9.046 1.00 75.11 H new ATOM 0 HG2 LYS A 15 -0.217 -2.802 -11.115 1.00 4.12 H new ATOM 0 HG3 LYS A 15 0.669 -4.209 -11.667 1.00 4.12 H new ATOM 0 HD2 LYS A 15 -1.242 -5.485 -11.976 1.00 22.44 H new ATOM 0 HD3 LYS A 15 -2.110 -4.708 -10.668 1.00 22.44 H new ATOM 0 HE2 LYS A 15 -3.285 -3.884 -12.482 1.00 22.41 H new ATOM 0 HE3 LYS A 15 -2.107 -2.604 -12.272 1.00 22.41 H new ATOM 0 HZ1 LYS A 15 -2.306 -3.244 -14.565 1.00 75.12 H new ATOM 0 HZ2 LYS A 15 -0.750 -3.608 -13.993 1.00 75.12 H new ATOM 0 HZ3 LYS A 15 -1.891 -4.848 -14.196 1.00 75.12 H new ATOM 240 N THR A 16 2.341 -6.735 -7.712 1.00 1.44 N ATOM 241 CA THR A 16 2.648 -7.356 -6.427 1.00 74.23 C ATOM 242 C THR A 16 4.087 -6.981 -6.076 1.00 74.55 C ATOM 243 O THR A 16 4.993 -7.442 -6.756 1.00 72.12 O ATOM 244 CB THR A 16 2.472 -8.883 -6.537 1.00 54.25 C ATOM 245 OG1 THR A 16 1.248 -9.217 -7.170 1.00 22.42 O ATOM 246 CG2 THR A 16 2.600 -9.578 -5.183 1.00 40.05 C ATOM 0 H THR A 16 3.016 -6.974 -8.438 1.00 1.44 H new ATOM 0 HA THR A 16 1.977 -7.008 -5.642 1.00 74.23 H new ATOM 0 HB THR A 16 3.286 -9.250 -7.163 1.00 54.25 H new ATOM 0 HG1 THR A 16 1.165 -10.192 -7.227 1.00 22.42 H new ATOM 0 HG21 THR A 16 2.469 -10.652 -5.312 1.00 40.05 H new ATOM 0 HG22 THR A 16 3.587 -9.381 -4.765 1.00 40.05 H new ATOM 0 HG23 THR A 16 1.836 -9.198 -4.505 1.00 40.05 H new ATOM 254 N LEU A 17 4.318 -6.098 -5.104 1.00 32.33 N ATOM 255 CA LEU A 17 5.662 -5.757 -4.655 1.00 1.00 C ATOM 256 C LEU A 17 6.173 -6.817 -3.687 1.00 53.43 C ATOM 257 O LEU A 17 5.814 -6.804 -2.505 1.00 14.31 O ATOM 258 CB LEU A 17 5.698 -4.374 -4.012 1.00 63.22 C ATOM 259 CG LEU A 17 7.073 -4.031 -3.388 1.00 53.14 C ATOM 260 CD1 LEU A 17 8.278 -4.120 -4.317 1.00 51.02 C ATOM 261 CD2 LEU A 17 6.938 -2.628 -2.799 1.00 43.12 C ATOM 0 H LEU A 17 3.578 -5.601 -4.608 1.00 32.33 H new ATOM 0 HA LEU A 17 6.317 -5.730 -5.526 1.00 1.00 H new ATOM 0 HB2 LEU A 17 5.449 -3.624 -4.763 1.00 63.22 H new ATOM 0 HB3 LEU A 17 4.931 -4.319 -3.240 1.00 63.22 H new ATOM 0 HG LEU A 17 7.295 -4.793 -2.640 1.00 53.14 H new ATOM 0 HD11 LEU A 17 9.182 -3.858 -3.767 1.00 51.02 H new ATOM 0 HD12 LEU A 17 8.368 -5.137 -4.699 1.00 51.02 H new ATOM 0 HD13 LEU A 17 8.147 -3.429 -5.150 1.00 51.02 H new ATOM 0 HD21 LEU A 17 7.883 -2.332 -2.343 1.00 43.12 H new ATOM 0 HD22 LEU A 17 6.681 -1.924 -3.591 1.00 43.12 H new ATOM 0 HD23 LEU A 17 6.153 -2.625 -2.042 1.00 43.12 H new ATOM 273 N THR A 18 7.051 -7.688 -4.162 1.00 4.31 N ATOM 274 CA THR A 18 7.676 -8.716 -3.352 1.00 1.32 C ATOM 275 C THR A 18 9.040 -8.270 -2.891 1.00 13.13 C ATOM 276 O THR A 18 9.848 -7.760 -3.678 1.00 55.31 O ATOM 277 CB THR A 18 7.698 -10.064 -4.103 1.00 2.02 C ATOM 278 OG1 THR A 18 6.393 -10.455 -4.488 1.00 41.14 O ATOM 279 CG2 THR A 18 8.351 -11.212 -3.325 1.00 12.43 C ATOM 0 H THR A 18 7.352 -7.698 -5.137 1.00 4.31 H new ATOM 0 HA THR A 18 7.082 -8.876 -2.452 1.00 1.32 H new ATOM 0 HB THR A 18 8.318 -9.880 -4.981 1.00 2.02 H new ATOM 0 HG1 THR A 18 6.304 -11.427 -4.403 1.00 41.14 H new ATOM 0 HG21 THR A 18 8.323 -12.121 -3.926 1.00 12.43 H new ATOM 0 HG22 THR A 18 9.387 -10.957 -3.101 1.00 12.43 H new ATOM 0 HG23 THR A 18 7.808 -11.376 -2.394 1.00 12.43 H new ATOM 287 N LEU A 19 9.261 -8.480 -1.590 1.00 31.22 N ATOM 288 CA LEU A 19 10.483 -8.174 -0.911 1.00 55.11 C ATOM 289 C LEU A 19 11.006 -9.385 -0.207 1.00 42.21 C ATOM 290 O LEU A 19 10.294 -10.350 0.081 1.00 13.24 O ATOM 291 CB LEU A 19 10.240 -7.096 0.144 1.00 54.24 C ATOM 292 CG LEU A 19 10.421 -5.733 -0.495 1.00 20.34 C ATOM 293 CD1 LEU A 19 9.109 -5.201 -0.852 1.00 72.23 C ATOM 294 CD2 LEU A 19 11.055 -4.708 0.451 1.00 4.34 C ATOM 0 H LEU A 19 8.555 -8.884 -0.975 1.00 31.22 H new ATOM 0 HA LEU A 19 11.201 -7.829 -1.655 1.00 55.11 H new ATOM 0 HB2 LEU A 19 9.234 -7.190 0.554 1.00 54.24 H new ATOM 0 HB3 LEU A 19 10.935 -7.218 0.975 1.00 54.24 H new ATOM 0 HG LEU A 19 11.075 -5.878 -1.355 1.00 20.34 H new ATOM 0 HD11 LEU A 19 9.227 -4.220 -1.313 1.00 72.23 H new ATOM 0 HD12 LEU A 19 8.622 -5.876 -1.556 1.00 72.23 H new ATOM 0 HD13 LEU A 19 8.497 -5.109 0.045 1.00 72.23 H new ATOM 0 HD21 LEU A 19 11.158 -3.753 -0.064 1.00 4.34 H new ATOM 0 HD22 LEU A 19 10.420 -4.581 1.328 1.00 4.34 H new ATOM 0 HD23 LEU A 19 12.038 -5.060 0.763 1.00 4.34 H new ATOM 306 N ARG A 20 12.247 -9.202 0.210 1.00 2.32 N ATOM 307 CA ARG A 20 12.985 -10.236 0.956 1.00 35.14 C ATOM 308 C ARG A 20 13.614 -9.735 2.253 1.00 34.32 C ATOM 309 O ARG A 20 14.811 -9.459 2.272 1.00 34.50 O ATOM 310 CB ARG A 20 13.962 -10.987 0.036 1.00 21.53 C ATOM 311 CG ARG A 20 14.345 -12.331 0.673 1.00 71.44 C ATOM 312 CD ARG A 20 15.215 -13.180 -0.263 1.00 75.41 C ATOM 313 NE ARG A 20 16.609 -12.722 -0.247 1.00 22.20 N ATOM 314 CZ ARG A 20 17.632 -13.240 -0.935 1.00 62.43 C ATOM 315 NH1 ARG A 20 17.445 -14.168 -1.866 1.00 15.03 N ATOM 316 NH2 ARG A 20 18.875 -12.827 -0.701 1.00 15.12 N ATOM 0 H ARG A 20 12.777 -8.346 0.049 1.00 2.32 H new ATOM 0 HA ARG A 20 12.250 -10.965 1.299 1.00 35.14 H new ATOM 0 HB2 ARG A 20 13.503 -11.153 -0.939 1.00 21.53 H new ATOM 0 HB3 ARG A 20 14.855 -10.385 -0.130 1.00 21.53 H new ATOM 0 HG2 ARG A 20 14.882 -12.151 1.604 1.00 71.44 H new ATOM 0 HG3 ARG A 20 13.440 -12.883 0.928 1.00 71.44 H new ATOM 0 HD2 ARG A 20 15.169 -14.226 0.041 1.00 75.41 H new ATOM 0 HD3 ARG A 20 14.823 -13.126 -1.278 1.00 75.41 H new ATOM 0 HE ARG A 20 16.820 -11.924 0.352 1.00 22.20 H new ATOM 0 HH11 ARG A 20 16.503 -14.502 -2.071 1.00 15.03 H new ATOM 0 HH12 ARG A 20 18.243 -14.547 -2.376 1.00 15.03 H new ATOM 0 HH21 ARG A 20 19.051 -12.113 0.006 1.00 15.12 H new ATOM 0 HH22 ARG A 20 19.652 -13.225 -1.228 1.00 15.12 H new ATOM 330 N TYR A 21 12.839 -9.555 3.324 1.00 14.30 N ATOM 331 CA TYR A 21 13.285 -9.093 4.639 1.00 74.32 C ATOM 332 C TYR A 21 14.258 -10.116 5.231 1.00 20.03 C ATOM 333 O TYR A 21 13.863 -11.024 5.971 1.00 60.14 O ATOM 334 CB TYR A 21 12.106 -8.809 5.585 1.00 52.42 C ATOM 335 CG TYR A 21 12.455 -7.932 6.790 1.00 21.33 C ATOM 336 CD1 TYR A 21 13.413 -8.327 7.753 1.00 32.11 C ATOM 337 CD2 TYR A 21 11.785 -6.707 6.967 1.00 12.40 C ATOM 338 CE1 TYR A 21 13.681 -7.521 8.872 1.00 64.35 C ATOM 339 CE2 TYR A 21 12.027 -5.912 8.101 1.00 1.22 C ATOM 340 CZ TYR A 21 12.984 -6.310 9.055 1.00 51.33 C ATOM 341 OH TYR A 21 13.243 -5.547 10.148 1.00 53.53 O ATOM 0 H TYR A 21 11.836 -9.736 3.296 1.00 14.30 H new ATOM 0 HA TYR A 21 13.803 -8.142 4.516 1.00 74.32 H new ATOM 0 HB2 TYR A 21 11.310 -8.325 5.018 1.00 52.42 H new ATOM 0 HB3 TYR A 21 11.709 -9.758 5.945 1.00 52.42 H new ATOM 0 HD1 TYR A 21 13.944 -9.259 7.627 1.00 32.11 H new ATOM 0 HD2 TYR A 21 11.077 -6.374 6.223 1.00 12.40 H new ATOM 0 HE1 TYR A 21 14.423 -7.830 9.594 1.00 64.35 H new ATOM 0 HE2 TYR A 21 11.477 -4.993 8.241 1.00 1.22 H new ATOM 0 HH TYR A 21 12.681 -4.744 10.127 1.00 53.53 H new ATOM 351 N GLY A 22 15.544 -9.936 4.944 1.00 22.14 N ATOM 352 CA GLY A 22 16.588 -10.841 5.366 1.00 35.11 C ATOM 353 C GLY A 22 16.351 -12.211 4.771 1.00 42.42 C ATOM 354 O GLY A 22 16.516 -12.398 3.567 1.00 15.44 O ATOM 0 H GLY A 22 15.887 -9.142 4.403 1.00 22.14 H new ATOM 0 HA2 GLY A 22 17.560 -10.461 5.051 1.00 35.11 H new ATOM 0 HA3 GLY A 22 16.608 -10.906 6.454 1.00 35.11 H new ATOM 358 N GLU A 23 15.960 -13.158 5.608 1.00 12.51 N ATOM 359 CA GLU A 23 15.863 -14.561 5.245 1.00 2.53 C ATOM 360 C GLU A 23 14.444 -14.878 4.742 1.00 33.43 C ATOM 361 O GLU A 23 14.183 -15.983 4.262 1.00 14.51 O ATOM 362 CB GLU A 23 16.208 -15.442 6.463 1.00 14.22 C ATOM 363 CG GLU A 23 17.253 -14.912 7.462 1.00 20.24 C ATOM 364 CD GLU A 23 18.710 -15.137 7.080 1.00 34.24 C ATOM 365 OE1 GLU A 23 19.310 -14.315 6.343 1.00 52.24 O ATOM 366 OE2 GLU A 23 19.319 -16.046 7.687 1.00 63.43 O ATOM 0 H GLU A 23 15.697 -12.969 6.575 1.00 12.51 H new ATOM 0 HA GLU A 23 16.572 -14.773 4.445 1.00 2.53 H new ATOM 0 HB2 GLU A 23 15.285 -15.630 7.012 1.00 14.22 H new ATOM 0 HB3 GLU A 23 16.559 -16.405 6.091 1.00 14.22 H new ATOM 0 HG2 GLU A 23 17.093 -13.842 7.593 1.00 20.24 H new ATOM 0 HG3 GLU A 23 17.074 -15.382 8.429 1.00 20.24 H new ATOM 373 N ASP A 24 13.505 -13.933 4.831 1.00 74.30 N ATOM 374 CA ASP A 24 12.067 -14.176 4.736 1.00 35.12 C ATOM 375 C ASP A 24 11.549 -13.386 3.527 1.00 13.45 C ATOM 376 O ASP A 24 12.024 -12.272 3.306 1.00 13.20 O ATOM 377 CB ASP A 24 11.362 -13.679 6.017 1.00 20.22 C ATOM 378 CG ASP A 24 11.895 -14.126 7.389 1.00 31.41 C ATOM 379 OD1 ASP A 24 12.819 -14.963 7.509 1.00 15.45 O ATOM 380 OD2 ASP A 24 11.420 -13.578 8.413 1.00 2.44 O ATOM 0 H ASP A 24 13.733 -12.949 4.975 1.00 74.30 H new ATOM 0 HA ASP A 24 11.865 -15.241 4.623 1.00 35.12 H new ATOM 0 HB2 ASP A 24 11.378 -12.589 5.998 1.00 20.22 H new ATOM 0 HB3 ASP A 24 10.317 -13.984 5.956 1.00 20.22 H new ATOM 385 N SER A 25 10.597 -13.900 2.740 1.00 40.13 N ATOM 386 CA SER A 25 10.103 -13.243 1.534 1.00 71.31 C ATOM 387 C SER A 25 8.577 -13.161 1.547 1.00 55.04 C ATOM 388 O SER A 25 7.904 -14.146 1.844 1.00 44.00 O ATOM 389 CB SER A 25 10.622 -13.948 0.276 1.00 34.33 C ATOM 390 OG SER A 25 10.912 -15.324 0.470 1.00 21.52 O ATOM 0 H SER A 25 10.145 -14.795 2.929 1.00 40.13 H new ATOM 0 HA SER A 25 10.486 -12.223 1.517 1.00 71.31 H new ATOM 0 HB2 SER A 25 9.880 -13.851 -0.516 1.00 34.33 H new ATOM 0 HB3 SER A 25 11.524 -13.441 -0.068 1.00 34.33 H new ATOM 0 HG SER A 25 11.236 -15.712 -0.370 1.00 21.52 H new ATOM 396 N TYR A 26 8.059 -11.968 1.247 1.00 4.21 N ATOM 397 CA TYR A 26 6.697 -11.490 1.419 1.00 33.12 C ATOM 398 C TYR A 26 6.251 -10.835 0.108 1.00 23.11 C ATOM 399 O TYR A 26 6.997 -10.006 -0.418 1.00 32.10 O ATOM 400 CB TYR A 26 6.739 -10.431 2.534 1.00 35.14 C ATOM 401 CG TYR A 26 7.423 -10.834 3.827 1.00 32.01 C ATOM 402 CD1 TYR A 26 7.381 -12.149 4.322 1.00 42.43 C ATOM 403 CD2 TYR A 26 8.139 -9.862 4.530 1.00 64.11 C ATOM 404 CE1 TYR A 26 7.971 -12.463 5.558 1.00 24.24 C ATOM 405 CE2 TYR A 26 8.789 -10.174 5.725 1.00 61.33 C ATOM 406 CZ TYR A 26 8.644 -11.455 6.281 1.00 61.01 C ATOM 407 OH TYR A 26 9.119 -11.675 7.528 1.00 22.01 O ATOM 0 H TYR A 26 8.648 -11.244 0.836 1.00 4.21 H new ATOM 0 HA TYR A 26 6.008 -12.295 1.674 1.00 33.12 H new ATOM 0 HB2 TYR A 26 7.241 -9.546 2.144 1.00 35.14 H new ATOM 0 HB3 TYR A 26 5.715 -10.140 2.767 1.00 35.14 H new ATOM 0 HD1 TYR A 26 6.892 -12.923 3.749 1.00 42.43 H new ATOM 0 HD2 TYR A 26 8.190 -8.855 4.143 1.00 64.11 H new ATOM 0 HE1 TYR A 26 7.910 -13.467 5.951 1.00 24.24 H new ATOM 0 HE2 TYR A 26 9.400 -9.434 6.220 1.00 61.33 H new ATOM 0 HH TYR A 26 8.972 -10.878 8.079 1.00 22.01 H new ATOM 417 N ASP A 27 5.065 -11.174 -0.409 1.00 24.14 N ATOM 418 CA ASP A 27 4.615 -10.834 -1.764 1.00 61.15 C ATOM 419 C ASP A 27 3.391 -9.913 -1.714 1.00 20.33 C ATOM 420 O ASP A 27 2.255 -10.393 -1.777 1.00 21.51 O ATOM 421 CB ASP A 27 4.262 -12.112 -2.549 1.00 43.13 C ATOM 422 CG ASP A 27 5.414 -13.084 -2.758 1.00 41.11 C ATOM 423 OD1 ASP A 27 5.697 -13.884 -1.839 1.00 71.11 O ATOM 424 OD2 ASP A 27 5.976 -13.123 -3.877 1.00 32.11 O ATOM 0 H ASP A 27 4.373 -11.707 0.117 1.00 24.14 H new ATOM 0 HA ASP A 27 5.430 -10.314 -2.268 1.00 61.15 H new ATOM 0 HB2 ASP A 27 3.460 -12.632 -2.024 1.00 43.13 H new ATOM 0 HB3 ASP A 27 3.870 -11.823 -3.524 1.00 43.13 H new ATOM 429 N LEU A 28 3.591 -8.604 -1.523 1.00 32.41 N ATOM 430 CA LEU A 28 2.508 -7.722 -1.084 1.00 35.23 C ATOM 431 C LEU A 28 1.736 -7.092 -2.258 1.00 1.10 C ATOM 432 O LEU A 28 2.362 -6.719 -3.251 1.00 3.42 O ATOM 433 CB LEU A 28 3.105 -6.613 -0.207 1.00 43.15 C ATOM 434 CG LEU A 28 4.047 -7.102 0.927 1.00 2.41 C ATOM 435 CD1 LEU A 28 4.180 -6.025 1.998 1.00 12.32 C ATOM 436 CD2 LEU A 28 3.655 -8.426 1.597 1.00 71.11 C ATOM 0 H LEU A 28 4.486 -8.136 -1.665 1.00 32.41 H new ATOM 0 HA LEU A 28 1.793 -8.325 -0.525 1.00 35.23 H new ATOM 0 HB2 LEU A 28 3.659 -5.925 -0.846 1.00 43.15 H new ATOM 0 HB3 LEU A 28 2.288 -6.046 0.240 1.00 43.15 H new ATOM 0 HG LEU A 28 4.996 -7.296 0.426 1.00 2.41 H new ATOM 0 HD11 LEU A 28 4.842 -6.378 2.788 1.00 12.32 H new ATOM 0 HD12 LEU A 28 4.594 -5.120 1.554 1.00 12.32 H new ATOM 0 HD13 LEU A 28 3.198 -5.806 2.418 1.00 12.32 H new ATOM 0 HD21 LEU A 28 4.381 -8.671 2.372 1.00 71.11 H new ATOM 0 HD22 LEU A 28 2.666 -8.329 2.044 1.00 71.11 H new ATOM 0 HD23 LEU A 28 3.639 -9.221 0.851 1.00 71.11 H new ATOM 448 N PRO A 29 0.407 -6.880 -2.162 1.00 44.02 N ATOM 449 CA PRO A 29 -0.373 -6.270 -3.238 1.00 51.12 C ATOM 450 C PRO A 29 -0.174 -4.762 -3.311 1.00 71.43 C ATOM 451 O PRO A 29 -0.039 -4.089 -2.286 1.00 12.02 O ATOM 452 CB PRO A 29 -1.838 -6.552 -2.912 1.00 33.42 C ATOM 453 CG PRO A 29 -1.843 -6.705 -1.396 1.00 0.30 C ATOM 454 CD PRO A 29 -0.473 -7.311 -1.088 1.00 23.21 C ATOM 0 HA PRO A 29 -0.059 -6.683 -4.197 1.00 51.12 H new ATOM 0 HB2 PRO A 29 -2.485 -5.737 -3.235 1.00 33.42 H new ATOM 0 HB3 PRO A 29 -2.193 -7.456 -3.408 1.00 33.42 H new ATOM 0 HG2 PRO A 29 -1.978 -5.745 -0.897 1.00 0.30 H new ATOM 0 HG3 PRO A 29 -2.652 -7.354 -1.062 1.00 0.30 H new ATOM 0 HD2 PRO A 29 -0.104 -6.970 -0.121 1.00 23.21 H new ATOM 0 HD3 PRO A 29 -0.529 -8.399 -1.042 1.00 23.21 H new ATOM 462 N ALA A 30 -0.308 -4.210 -4.517 1.00 60.45 N ATOM 463 CA ALA A 30 -0.298 -2.773 -4.770 1.00 72.33 C ATOM 464 C ALA A 30 -1.331 -2.038 -3.908 1.00 20.30 C ATOM 465 O ALA A 30 -1.042 -0.959 -3.388 1.00 42.22 O ATOM 466 CB ALA A 30 -0.541 -2.505 -6.261 1.00 35.42 C ATOM 0 H ALA A 30 -0.429 -4.765 -5.364 1.00 60.45 H new ATOM 0 HA ALA A 30 0.683 -2.386 -4.494 1.00 72.33 H new ATOM 0 HB1 ALA A 30 -0.532 -1.430 -6.444 1.00 35.42 H new ATOM 0 HB2 ALA A 30 0.245 -2.979 -6.849 1.00 35.42 H new ATOM 0 HB3 ALA A 30 -1.508 -2.915 -6.551 1.00 35.42 H new ATOM 472 N GLU A 31 -2.529 -2.607 -3.729 1.00 1.12 N ATOM 473 CA GLU A 31 -3.583 -1.940 -2.977 1.00 72.21 C ATOM 474 C GLU A 31 -3.247 -1.769 -1.494 1.00 0.02 C ATOM 475 O GLU A 31 -3.734 -0.811 -0.894 1.00 0.20 O ATOM 476 CB GLU A 31 -4.963 -2.595 -3.179 1.00 55.31 C ATOM 477 CG GLU A 31 -5.278 -3.834 -2.330 1.00 31.33 C ATOM 478 CD GLU A 31 -6.777 -4.153 -2.369 1.00 1.22 C ATOM 479 OE1 GLU A 31 -7.590 -3.284 -1.957 1.00 63.34 O ATOM 480 OE2 GLU A 31 -7.139 -5.289 -2.739 1.00 60.12 O ATOM 0 H GLU A 31 -2.786 -3.524 -4.095 1.00 1.12 H new ATOM 0 HA GLU A 31 -3.645 -0.936 -3.396 1.00 72.21 H new ATOM 0 HB2 GLU A 31 -5.727 -1.844 -2.978 1.00 55.31 H new ATOM 0 HB3 GLU A 31 -5.056 -2.872 -4.229 1.00 55.31 H new ATOM 0 HG2 GLU A 31 -4.710 -4.688 -2.700 1.00 31.33 H new ATOM 0 HG3 GLU A 31 -4.964 -3.664 -1.300 1.00 31.33 H new ATOM 487 N PHE A 32 -2.418 -2.639 -0.899 1.00 75.13 N ATOM 488 CA PHE A 32 -1.963 -2.451 0.479 1.00 23.20 C ATOM 489 C PHE A 32 -1.108 -1.185 0.553 1.00 52.05 C ATOM 490 O PHE A 32 -1.370 -0.292 1.360 1.00 74.31 O ATOM 491 CB PHE A 32 -1.182 -3.687 0.960 1.00 33.41 C ATOM 492 CG PHE A 32 -0.366 -3.468 2.220 1.00 51.53 C ATOM 493 CD1 PHE A 32 -1.004 -3.128 3.427 1.00 14.32 C ATOM 494 CD2 PHE A 32 1.037 -3.588 2.187 1.00 44.45 C ATOM 495 CE1 PHE A 32 -0.248 -2.907 4.590 1.00 13.40 C ATOM 496 CE2 PHE A 32 1.787 -3.383 3.357 1.00 32.13 C ATOM 497 CZ PHE A 32 1.149 -3.032 4.555 1.00 75.25 C ATOM 0 H PHE A 32 -2.052 -3.476 -1.352 1.00 75.13 H new ATOM 0 HA PHE A 32 -2.822 -2.333 1.139 1.00 23.20 H new ATOM 0 HB2 PHE A 32 -1.887 -4.500 1.136 1.00 33.41 H new ATOM 0 HB3 PHE A 32 -0.514 -4.011 0.162 1.00 33.41 H new ATOM 0 HD1 PHE A 32 -2.080 -3.037 3.459 1.00 14.32 H new ATOM 0 HD2 PHE A 32 1.536 -3.838 1.262 1.00 44.45 H new ATOM 0 HE1 PHE A 32 -0.743 -2.641 5.512 1.00 13.40 H new ATOM 0 HE2 PHE A 32 2.861 -3.496 3.333 1.00 32.13 H new ATOM 0 HZ PHE A 32 1.731 -2.858 5.448 1.00 75.25 H new ATOM 507 N LEU A 33 -0.108 -1.106 -0.328 1.00 73.22 N ATOM 508 CA LEU A 33 0.840 -0.003 -0.387 1.00 23.30 C ATOM 509 C LEU A 33 0.125 1.334 -0.557 1.00 52.41 C ATOM 510 O LEU A 33 0.451 2.289 0.143 1.00 12.32 O ATOM 511 CB LEU A 33 1.850 -0.253 -1.518 1.00 63.45 C ATOM 512 CG LEU A 33 2.894 -1.321 -1.156 1.00 15.21 C ATOM 513 CD1 LEU A 33 3.020 -2.421 -2.209 1.00 73.31 C ATOM 514 CD2 LEU A 33 4.250 -0.648 -0.938 1.00 2.22 C ATOM 0 H LEU A 33 0.064 -1.824 -1.032 1.00 73.22 H new ATOM 0 HA LEU A 33 1.382 0.049 0.557 1.00 23.30 H new ATOM 0 HB2 LEU A 33 1.315 -0.564 -2.415 1.00 63.45 H new ATOM 0 HB3 LEU A 33 2.359 0.680 -1.758 1.00 63.45 H new ATOM 0 HG LEU A 33 2.555 -1.807 -0.241 1.00 15.21 H new ATOM 0 HD11 LEU A 33 3.773 -3.143 -1.893 1.00 73.31 H new ATOM 0 HD12 LEU A 33 2.061 -2.925 -2.325 1.00 73.31 H new ATOM 0 HD13 LEU A 33 3.316 -1.981 -3.161 1.00 73.31 H new ATOM 0 HD21 LEU A 33 4.994 -1.402 -0.681 1.00 2.22 H new ATOM 0 HD22 LEU A 33 4.553 -0.136 -1.851 1.00 2.22 H new ATOM 0 HD23 LEU A 33 4.171 0.075 -0.126 1.00 2.22 H new ATOM 526 N ARG A 34 -0.863 1.413 -1.456 1.00 54.42 N ATOM 527 CA ARG A 34 -1.589 2.657 -1.722 1.00 4.31 C ATOM 528 C ARG A 34 -2.242 3.213 -0.465 1.00 23.41 C ATOM 529 O ARG A 34 -2.232 4.429 -0.294 1.00 24.41 O ATOM 530 CB ARG A 34 -2.615 2.433 -2.860 1.00 40.01 C ATOM 531 CG ARG A 34 -3.715 3.506 -3.007 1.00 22.42 C ATOM 532 CD ARG A 34 -3.181 4.903 -3.348 1.00 35.52 C ATOM 533 NE ARG A 34 -4.230 5.922 -3.180 1.00 22.23 N ATOM 534 CZ ARG A 34 -4.314 6.854 -2.222 1.00 51.13 C ATOM 535 NH1 ARG A 34 -3.507 6.813 -1.166 1.00 71.21 N ATOM 536 NH2 ARG A 34 -5.221 7.818 -2.316 1.00 32.54 N ATOM 0 H ARG A 34 -1.179 0.621 -2.016 1.00 54.42 H new ATOM 0 HA ARG A 34 -0.874 3.411 -2.049 1.00 4.31 H new ATOM 0 HB2 ARG A 34 -2.072 2.368 -3.803 1.00 40.01 H new ATOM 0 HB3 ARG A 34 -3.097 1.468 -2.702 1.00 40.01 H new ATOM 0 HG2 ARG A 34 -4.411 3.194 -3.786 1.00 22.42 H new ATOM 0 HG3 ARG A 34 -4.281 3.561 -2.077 1.00 22.42 H new ATOM 0 HD2 ARG A 34 -2.333 5.139 -2.706 1.00 35.52 H new ATOM 0 HD3 ARG A 34 -2.816 4.917 -4.375 1.00 35.52 H new ATOM 0 HE ARG A 34 -4.979 5.918 -3.873 1.00 22.23 H new ATOM 0 HH11 ARG A 34 -2.816 6.067 -1.081 1.00 71.21 H new ATOM 0 HH12 ARG A 34 -3.578 7.527 -0.441 1.00 71.21 H new ATOM 0 HH21 ARG A 34 -5.852 7.848 -3.117 1.00 32.54 H new ATOM 0 HH22 ARG A 34 -5.287 8.529 -1.588 1.00 32.54 H new ATOM 550 N VAL A 35 -2.861 2.381 0.370 1.00 4.41 N ATOM 551 CA VAL A 35 -3.636 2.908 1.487 1.00 2.31 C ATOM 552 C VAL A 35 -2.719 3.221 2.669 1.00 54.41 C ATOM 553 O VAL A 35 -2.954 4.235 3.321 1.00 42.12 O ATOM 554 CB VAL A 35 -4.842 2.010 1.805 1.00 74.44 C ATOM 555 CG1 VAL A 35 -5.718 1.917 0.540 1.00 51.41 C ATOM 556 CG2 VAL A 35 -4.489 0.597 2.292 1.00 11.54 C ATOM 0 H VAL A 35 -2.842 1.364 0.297 1.00 4.41 H new ATOM 0 HA VAL A 35 -4.083 3.863 1.211 1.00 2.31 H new ATOM 0 HB VAL A 35 -5.366 2.475 2.640 1.00 74.44 H new ATOM 0 HG11 VAL A 35 -6.582 1.284 0.741 1.00 51.41 H new ATOM 0 HG12 VAL A 35 -6.057 2.914 0.258 1.00 51.41 H new ATOM 0 HG13 VAL A 35 -5.136 1.488 -0.275 1.00 51.41 H new ATOM 0 HG21 VAL A 35 -5.405 0.041 2.490 1.00 11.54 H new ATOM 0 HG22 VAL A 35 -3.910 0.082 1.525 1.00 11.54 H new ATOM 0 HG23 VAL A 35 -3.900 0.664 3.207 1.00 11.54 H new ATOM 566 N HIS A 36 -1.640 2.460 2.910 1.00 11.44 N ATOM 567 CA HIS A 36 -0.697 2.767 3.993 1.00 63.31 C ATOM 568 C HIS A 36 0.401 3.748 3.528 1.00 62.15 C ATOM 569 O HIS A 36 1.582 3.578 3.848 1.00 75.04 O ATOM 570 CB HIS A 36 -0.145 1.482 4.653 1.00 72.02 C ATOM 571 CG HIS A 36 -0.068 1.571 6.167 1.00 44.11 C ATOM 572 ND1 HIS A 36 -0.150 2.716 6.939 1.00 11.40 N ATOM 573 CD2 HIS A 36 0.016 0.513 7.034 1.00 35.21 C ATOM 574 CE1 HIS A 36 -0.078 2.350 8.227 1.00 1.51 C ATOM 575 NE2 HIS A 36 0.030 1.016 8.335 1.00 64.31 N ATOM 0 H HIS A 36 -1.400 1.629 2.369 1.00 11.44 H new ATOM 0 HA HIS A 36 -1.244 3.287 4.779 1.00 63.31 H new ATOM 0 HB2 HIS A 36 -0.779 0.639 4.377 1.00 72.02 H new ATOM 0 HB3 HIS A 36 0.849 1.277 4.257 1.00 72.02 H new ATOM 0 HD1 HIS A 36 -0.248 3.670 6.590 1.00 11.40 H new ATOM 0 HD2 HIS A 36 0.063 -0.530 6.758 1.00 35.21 H new ATOM 0 HE1 HIS A 36 -0.103 3.034 9.062 1.00 1.51 H new ATOM 583 N SER A 37 0.012 4.762 2.751 1.00 64.02 N ATOM 584 CA SER A 37 0.871 5.696 2.036 1.00 53.34 C ATOM 585 C SER A 37 0.892 7.059 2.747 1.00 60.12 C ATOM 586 O SER A 37 0.031 7.894 2.460 1.00 14.41 O ATOM 587 CB SER A 37 0.404 5.772 0.580 1.00 2.12 C ATOM 588 OG SER A 37 1.233 6.567 -0.240 1.00 74.43 O ATOM 0 H SER A 37 -0.977 4.961 2.598 1.00 64.02 H new ATOM 0 HA SER A 37 1.905 5.350 2.033 1.00 53.34 H new ATOM 0 HB2 SER A 37 0.360 4.764 0.168 1.00 2.12 H new ATOM 0 HB3 SER A 37 -0.610 6.172 0.553 1.00 2.12 H new ATOM 0 HG SER A 37 2.146 6.212 -0.224 1.00 74.43 H new ATOM 594 N PRO A 38 1.764 7.288 3.746 1.00 75.43 N ATOM 595 CA PRO A 38 1.916 8.597 4.360 1.00 70.14 C ATOM 596 C PRO A 38 2.588 9.554 3.372 1.00 24.12 C ATOM 597 O PRO A 38 3.376 9.134 2.522 1.00 63.15 O ATOM 598 CB PRO A 38 2.807 8.360 5.578 1.00 54.11 C ATOM 599 CG PRO A 38 3.740 7.253 5.105 1.00 53.51 C ATOM 600 CD PRO A 38 2.829 6.415 4.208 1.00 34.23 C ATOM 0 HA PRO A 38 0.962 9.044 4.641 1.00 70.14 H new ATOM 0 HB2 PRO A 38 3.356 9.259 5.858 1.00 54.11 H new ATOM 0 HB3 PRO A 38 2.228 8.055 6.450 1.00 54.11 H new ATOM 0 HG2 PRO A 38 4.595 7.649 4.558 1.00 53.51 H new ATOM 0 HG3 PRO A 38 4.136 6.672 5.938 1.00 53.51 H new ATOM 0 HD2 PRO A 38 3.387 6.009 3.364 1.00 34.23 H new ATOM 0 HD3 PRO A 38 2.421 5.567 4.758 1.00 34.23 H new ATOM 608 N SER A 39 2.328 10.846 3.519 1.00 31.22 N ATOM 609 CA SER A 39 2.945 11.913 2.759 1.00 5.41 C ATOM 610 C SER A 39 4.037 12.601 3.586 1.00 44.24 C ATOM 611 O SER A 39 4.123 12.444 4.809 1.00 32.34 O ATOM 612 CB SER A 39 1.834 12.881 2.363 1.00 21.40 C ATOM 613 OG SER A 39 0.917 12.244 1.492 1.00 62.54 O ATOM 0 H SER A 39 1.652 11.189 4.201 1.00 31.22 H new ATOM 0 HA SER A 39 3.436 11.528 1.865 1.00 5.41 H new ATOM 0 HB2 SER A 39 1.315 13.234 3.254 1.00 21.40 H new ATOM 0 HB3 SER A 39 2.262 13.757 1.875 1.00 21.40 H new ATOM 0 HG SER A 39 0.208 12.874 1.246 1.00 62.54 H new ATOM 619 N ALA A 40 4.878 13.397 2.921 1.00 21.22 N ATOM 620 CA ALA A 40 5.892 14.193 3.600 1.00 14.11 C ATOM 621 C ALA A 40 5.246 15.321 4.410 1.00 14.34 C ATOM 622 O ALA A 40 5.727 15.680 5.481 1.00 10.41 O ATOM 623 CB ALA A 40 6.885 14.742 2.578 1.00 42.15 C ATOM 0 H ALA A 40 4.873 13.505 1.907 1.00 21.22 H new ATOM 0 HA ALA A 40 6.433 13.557 4.301 1.00 14.11 H new ATOM 0 HB1 ALA A 40 7.642 15.337 3.089 1.00 42.15 H new ATOM 0 HB2 ALA A 40 7.365 13.914 2.056 1.00 42.15 H new ATOM 0 HB3 ALA A 40 6.358 15.367 1.858 1.00 42.15 H new ATOM 629 N GLU A 41 4.108 15.821 3.947 1.00 32.04 N ATOM 630 CA GLU A 41 3.492 17.088 4.347 1.00 12.53 C ATOM 631 C GLU A 41 2.556 16.946 5.554 1.00 30.01 C ATOM 632 O GLU A 41 1.624 17.722 5.747 1.00 14.33 O ATOM 633 CB GLU A 41 2.762 17.697 3.137 1.00 70.42 C ATOM 634 CG GLU A 41 3.591 17.601 1.846 1.00 3.14 C ATOM 635 CD GLU A 41 3.052 18.397 0.659 1.00 23.10 C ATOM 636 OE1 GLU A 41 1.879 18.834 0.670 1.00 71.54 O ATOM 637 OE2 GLU A 41 3.843 18.575 -0.299 1.00 41.34 O ATOM 0 H GLU A 41 3.556 15.330 3.244 1.00 32.04 H new ATOM 0 HA GLU A 41 4.286 17.760 4.673 1.00 12.53 H new ATOM 0 HB2 GLU A 41 1.811 17.185 2.994 1.00 70.42 H new ATOM 0 HB3 GLU A 41 2.533 18.743 3.342 1.00 70.42 H new ATOM 0 HG2 GLU A 41 4.604 17.941 2.059 1.00 3.14 H new ATOM 0 HG3 GLU A 41 3.661 16.552 1.557 1.00 3.14 H new ATOM 644 N VAL A 42 2.774 15.917 6.364 1.00 24.40 N ATOM 645 CA VAL A 42 1.832 15.461 7.364 1.00 44.15 C ATOM 646 C VAL A 42 2.016 16.221 8.664 1.00 64.04 C ATOM 647 O VAL A 42 1.075 16.235 9.436 1.00 45.14 O ATOM 648 CB VAL A 42 2.020 13.941 7.548 1.00 11.12 C ATOM 649 CG1 VAL A 42 1.367 13.370 8.812 1.00 32.01 C ATOM 650 CG2 VAL A 42 1.474 13.222 6.310 1.00 3.13 C ATOM 0 H VAL A 42 3.633 15.367 6.339 1.00 24.40 H new ATOM 0 HA VAL A 42 0.810 15.655 7.038 1.00 44.15 H new ATOM 0 HB VAL A 42 3.090 13.771 7.670 1.00 11.12 H new ATOM 0 HG11 VAL A 42 1.548 12.296 8.862 1.00 32.01 H new ATOM 0 HG12 VAL A 42 1.794 13.851 9.692 1.00 32.01 H new ATOM 0 HG13 VAL A 42 0.293 13.556 8.782 1.00 32.01 H new ATOM 0 HG21 VAL A 42 1.601 12.146 6.428 1.00 3.13 H new ATOM 0 HG22 VAL A 42 0.415 13.451 6.194 1.00 3.13 H new ATOM 0 HG23 VAL A 42 2.017 13.557 5.426 1.00 3.13 H new ATOM 660 N GLN A 43 3.184 16.820 8.924 1.00 24.14 N ATOM 661 CA GLN A 43 3.695 17.063 10.273 1.00 23.01 C ATOM 662 C GLN A 43 2.643 17.604 11.240 1.00 32.11 C ATOM 663 O GLN A 43 2.373 18.802 11.291 1.00 51.34 O ATOM 664 CB GLN A 43 4.945 17.954 10.243 1.00 30.10 C ATOM 665 CG GLN A 43 6.130 17.216 9.603 1.00 31.22 C ATOM 666 CD GLN A 43 6.420 17.516 8.134 1.00 71.13 C ATOM 667 OE1 GLN A 43 5.496 18.051 7.352 1.00 50.22 O flip ATOM 668 NE2 GLN A 43 7.536 17.264 7.681 1.00 64.21 N flip ATOM 0 H GLN A 43 3.808 17.154 8.190 1.00 24.14 H new ATOM 0 HA GLN A 43 3.979 16.087 10.665 1.00 23.01 H new ATOM 0 HB2 GLN A 43 4.734 18.865 9.683 1.00 30.10 H new ATOM 0 HB3 GLN A 43 5.205 18.257 11.257 1.00 30.10 H new ATOM 0 HG2 GLN A 43 7.025 17.448 10.180 1.00 31.22 H new ATOM 0 HG3 GLN A 43 5.956 16.145 9.702 1.00 31.22 H new ATOM 0 HE21 GLN A 43 8.249 16.852 8.282 1.00 64.21 H new ATOM 0 HE22 GLN A 43 7.748 17.467 6.704 1.00 64.21 H new ATOM 677 N GLY A 44 2.045 16.681 11.990 1.00 10.32 N ATOM 678 CA GLY A 44 1.126 16.957 13.095 1.00 43.12 C ATOM 679 C GLY A 44 -0.355 16.966 12.715 1.00 42.34 C ATOM 680 O GLY A 44 -1.214 17.038 13.594 1.00 25.42 O ATOM 0 H GLY A 44 2.192 15.683 11.840 1.00 10.32 H new ATOM 0 HA2 GLY A 44 1.282 16.210 13.873 1.00 43.12 H new ATOM 0 HA3 GLY A 44 1.381 17.925 13.527 1.00 43.12 H new ATOM 684 N HIS A 45 -0.684 16.837 11.432 1.00 71.03 N ATOM 685 CA HIS A 45 -2.005 16.564 10.875 1.00 53.43 C ATOM 686 C HIS A 45 -2.327 15.074 11.094 1.00 25.32 C ATOM 687 O HIS A 45 -2.665 14.342 10.157 1.00 2.32 O ATOM 688 CB HIS A 45 -2.042 16.969 9.385 1.00 61.05 C ATOM 689 CG HIS A 45 -1.729 18.426 9.102 1.00 24.11 C ATOM 690 ND1 HIS A 45 -2.567 19.323 8.480 1.00 34.23 N ATOM 691 CD2 HIS A 45 -0.550 19.081 9.346 1.00 12.41 C ATOM 692 CE1 HIS A 45 -1.910 20.492 8.368 1.00 30.21 C ATOM 693 NE2 HIS A 45 -0.685 20.407 8.918 1.00 32.44 N ATOM 0 H HIS A 45 0.020 16.928 10.700 1.00 71.03 H new ATOM 0 HA HIS A 45 -2.771 17.155 11.377 1.00 53.43 H new ATOM 0 HB2 HIS A 45 -1.331 16.349 8.839 1.00 61.05 H new ATOM 0 HB3 HIS A 45 -3.032 16.743 8.988 1.00 61.05 H new ATOM 0 HD2 HIS A 45 0.333 18.648 9.792 1.00 12.41 H new ATOM 0 HE1 HIS A 45 -2.312 21.379 7.900 1.00 30.21 H new ATOM 0 HE2 HIS A 45 0.003 21.155 9.005 1.00 32.44 H new ATOM 701 N GLY A 46 -2.177 14.596 12.334 1.00 44.14 N ATOM 702 CA GLY A 46 -2.390 13.215 12.731 1.00 62.11 C ATOM 703 C GLY A 46 -3.878 12.999 12.936 1.00 14.31 C ATOM 704 O GLY A 46 -4.365 13.002 14.067 1.00 11.40 O ATOM 0 H GLY A 46 -1.893 15.190 13.113 1.00 44.14 H new ATOM 0 HA2 GLY A 46 -2.010 12.538 11.966 1.00 62.11 H new ATOM 0 HA3 GLY A 46 -1.845 12.996 13.649 1.00 62.11 H new ATOM 708 N ASN A 47 -4.617 12.897 11.835 1.00 74.43 N ATOM 709 CA ASN A 47 -6.059 12.683 11.824 1.00 41.23 C ATOM 710 C ASN A 47 -6.351 11.281 11.283 1.00 61.25 C ATOM 711 O ASN A 47 -5.641 10.833 10.377 1.00 63.05 O ATOM 712 CB ASN A 47 -6.764 13.789 11.010 1.00 52.43 C ATOM 713 CG ASN A 47 -6.185 14.136 9.631 1.00 50.14 C ATOM 714 OD1 ASN A 47 -6.285 15.277 9.189 1.00 63.42 O ATOM 715 ND2 ASN A 47 -5.604 13.212 8.883 1.00 34.12 N ATOM 0 H ASN A 47 -4.217 12.963 10.899 1.00 74.43 H new ATOM 0 HA ASN A 47 -6.456 12.744 12.837 1.00 41.23 H new ATOM 0 HB2 ASN A 47 -7.804 13.494 10.873 1.00 52.43 H new ATOM 0 HB3 ASN A 47 -6.767 14.698 11.611 1.00 52.43 H new ATOM 0 HD21 ASN A 47 -5.249 13.454 7.958 1.00 34.12 H new ATOM 0 HD22 ASN A 47 -5.511 12.258 9.232 1.00 34.12 H new ATOM 722 N PRO A 48 -7.375 10.572 11.786 1.00 61.22 N ATOM 723 CA PRO A 48 -7.748 9.266 11.264 1.00 5.51 C ATOM 724 C PRO A 48 -8.498 9.473 9.950 1.00 64.11 C ATOM 725 O PRO A 48 -9.473 10.227 9.892 1.00 4.22 O ATOM 726 CB PRO A 48 -8.614 8.617 12.346 1.00 61.13 C ATOM 727 CG PRO A 48 -9.260 9.808 13.051 1.00 12.20 C ATOM 728 CD PRO A 48 -8.223 10.929 12.915 1.00 70.05 C ATOM 0 HA PRO A 48 -6.898 8.619 11.046 1.00 5.51 H new ATOM 0 HB2 PRO A 48 -9.362 7.952 11.915 1.00 61.13 H new ATOM 0 HB3 PRO A 48 -8.015 8.020 13.034 1.00 61.13 H new ATOM 0 HG2 PRO A 48 -10.207 10.082 12.585 1.00 12.20 H new ATOM 0 HG3 PRO A 48 -9.472 9.585 14.097 1.00 12.20 H new ATOM 0 HD2 PRO A 48 -8.710 11.890 12.746 1.00 70.05 H new ATOM 0 HD3 PRO A 48 -7.634 11.026 13.827 1.00 70.05 H new ATOM 736 N VAL A 49 -8.008 8.882 8.869 1.00 65.13 N ATOM 737 CA VAL A 49 -8.582 8.973 7.548 1.00 21.43 C ATOM 738 C VAL A 49 -8.401 7.660 6.822 1.00 13.43 C ATOM 739 O VAL A 49 -7.322 7.065 6.868 1.00 41.31 O ATOM 740 CB VAL A 49 -7.902 10.133 6.829 1.00 30.13 C ATOM 741 CG1 VAL A 49 -6.366 10.156 6.848 1.00 25.21 C ATOM 742 CG2 VAL A 49 -8.473 10.336 5.419 1.00 24.11 C ATOM 0 H VAL A 49 -7.167 8.305 8.897 1.00 65.13 H new ATOM 0 HA VAL A 49 -9.654 9.163 7.589 1.00 21.43 H new ATOM 0 HB VAL A 49 -8.158 10.997 7.442 1.00 30.13 H new ATOM 0 HG11 VAL A 49 -6.008 11.030 6.303 1.00 25.21 H new ATOM 0 HG12 VAL A 49 -6.016 10.203 7.879 1.00 25.21 H new ATOM 0 HG13 VAL A 49 -5.983 9.252 6.375 1.00 25.21 H new ATOM 0 HG21 VAL A 49 -7.964 11.171 4.937 1.00 24.11 H new ATOM 0 HG22 VAL A 49 -8.321 9.431 4.831 1.00 24.11 H new ATOM 0 HG23 VAL A 49 -9.540 10.551 5.486 1.00 24.11 H new ATOM 752 N LEU A 50 -9.435 7.253 6.093 1.00 45.31 N ATOM 753 CA LEU A 50 -9.485 6.004 5.366 1.00 33.40 C ATOM 754 C LEU A 50 -9.695 6.277 3.889 1.00 12.33 C ATOM 755 O LEU A 50 -10.514 7.099 3.481 1.00 52.32 O ATOM 756 CB LEU A 50 -10.618 5.167 5.972 1.00 75.11 C ATOM 757 CG LEU A 50 -10.857 3.814 5.290 1.00 11.10 C ATOM 758 CD1 LEU A 50 -9.655 2.886 5.498 1.00 12.30 C ATOM 759 CD2 LEU A 50 -12.144 3.248 5.881 1.00 61.12 C ATOM 0 H LEU A 50 -10.286 7.807 5.993 1.00 45.31 H new ATOM 0 HA LEU A 50 -8.549 5.451 5.450 1.00 33.40 H new ATOM 0 HB2 LEU A 50 -10.398 4.993 7.025 1.00 75.11 H new ATOM 0 HB3 LEU A 50 -11.540 5.746 5.931 1.00 75.11 H new ATOM 0 HG LEU A 50 -10.964 3.919 4.210 1.00 11.10 H new ATOM 0 HD11 LEU A 50 -9.843 1.931 5.007 1.00 12.30 H new ATOM 0 HD12 LEU A 50 -8.763 3.344 5.070 1.00 12.30 H new ATOM 0 HD13 LEU A 50 -9.503 2.722 6.565 1.00 12.30 H new ATOM 0 HD21 LEU A 50 -12.359 2.281 5.426 1.00 61.12 H new ATOM 0 HD22 LEU A 50 -12.026 3.124 6.958 1.00 61.12 H new ATOM 0 HD23 LEU A 50 -12.968 3.933 5.682 1.00 61.12 H new ATOM 771 N GLN A 51 -8.893 5.584 3.097 1.00 2.22 N ATOM 772 CA GLN A 51 -8.767 5.687 1.666 1.00 24.41 C ATOM 773 C GLN A 51 -9.541 4.484 1.130 1.00 75.11 C ATOM 774 O GLN A 51 -9.249 3.349 1.526 1.00 53.22 O ATOM 775 CB GLN A 51 -7.263 5.636 1.318 1.00 23.32 C ATOM 776 CG GLN A 51 -6.364 6.691 2.012 1.00 41.34 C ATOM 777 CD GLN A 51 -6.257 6.575 3.533 1.00 34.33 C ATOM 778 OE1 GLN A 51 -6.210 5.474 4.073 1.00 4.23 O ATOM 779 NE2 GLN A 51 -6.229 7.670 4.279 1.00 74.25 N ATOM 0 H GLN A 51 -8.264 4.878 3.479 1.00 2.22 H new ATOM 0 HA GLN A 51 -9.159 6.608 1.235 1.00 24.41 H new ATOM 0 HB2 GLN A 51 -6.886 4.645 1.571 1.00 23.32 H new ATOM 0 HB3 GLN A 51 -7.157 5.752 0.239 1.00 23.32 H new ATOM 0 HG2 GLN A 51 -5.362 6.621 1.590 1.00 41.34 H new ATOM 0 HG3 GLN A 51 -6.745 7.683 1.768 1.00 41.34 H new ATOM 0 HE21 GLN A 51 -6.268 8.589 3.838 1.00 74.25 H new ATOM 0 HE22 GLN A 51 -6.169 7.594 5.294 1.00 74.25 H new ATOM 788 N TYR A 52 -10.575 4.706 0.319 1.00 12.23 N ATOM 789 CA TYR A 52 -11.424 3.661 -0.252 1.00 11.44 C ATOM 790 C TYR A 52 -11.682 3.951 -1.733 1.00 13.42 C ATOM 791 O TYR A 52 -11.116 4.899 -2.284 1.00 31.54 O ATOM 792 CB TYR A 52 -12.701 3.464 0.580 1.00 24.40 C ATOM 793 CG TYR A 52 -13.547 4.720 0.686 1.00 44.01 C ATOM 794 CD1 TYR A 52 -14.480 5.049 -0.315 1.00 72.41 C ATOM 795 CD2 TYR A 52 -13.333 5.613 1.756 1.00 31.20 C ATOM 796 CE1 TYR A 52 -15.190 6.260 -0.246 1.00 12.23 C ATOM 797 CE2 TYR A 52 -14.056 6.815 1.837 1.00 31.22 C ATOM 798 CZ TYR A 52 -14.994 7.146 0.838 1.00 11.23 C ATOM 799 OH TYR A 52 -15.702 8.306 0.941 1.00 55.21 O ATOM 0 H TYR A 52 -10.853 5.645 0.033 1.00 12.23 H new ATOM 0 HA TYR A 52 -10.906 2.703 -0.208 1.00 11.44 H new ATOM 0 HB2 TYR A 52 -13.298 2.668 0.134 1.00 24.40 H new ATOM 0 HB3 TYR A 52 -12.427 3.133 1.582 1.00 24.40 H new ATOM 0 HD1 TYR A 52 -14.651 4.370 -1.137 1.00 72.41 H new ATOM 0 HD2 TYR A 52 -12.608 5.371 2.519 1.00 31.20 H new ATOM 0 HE1 TYR A 52 -15.891 6.516 -1.027 1.00 12.23 H new ATOM 0 HE2 TYR A 52 -13.893 7.487 2.667 1.00 31.22 H new ATOM 0 HH TYR A 52 -15.431 8.784 1.753 1.00 55.21 H new ATOM 809 N GLY A 53 -12.480 3.103 -2.385 1.00 32.11 N ATOM 810 CA GLY A 53 -12.671 3.154 -3.834 1.00 75.25 C ATOM 811 C GLY A 53 -11.391 2.784 -4.587 1.00 55.44 C ATOM 812 O GLY A 53 -10.944 3.533 -5.452 1.00 52.15 O ATOM 0 H GLY A 53 -13.010 2.364 -1.924 1.00 32.11 H new ATOM 0 HA2 GLY A 53 -13.471 2.472 -4.120 1.00 75.25 H new ATOM 0 HA3 GLY A 53 -12.987 4.156 -4.124 1.00 75.25 H new ATOM 816 N LYS A 54 -10.789 1.645 -4.227 1.00 2.42 N ATOM 817 CA LYS A 54 -9.452 1.198 -4.633 1.00 20.50 C ATOM 818 C LYS A 54 -9.388 -0.259 -5.102 1.00 61.22 C ATOM 819 O LYS A 54 -8.292 -0.777 -5.310 1.00 41.12 O ATOM 820 CB LYS A 54 -8.350 1.581 -3.621 1.00 31.54 C ATOM 821 CG LYS A 54 -8.213 0.718 -2.354 1.00 52.15 C ATOM 822 CD LYS A 54 -9.539 0.616 -1.601 1.00 22.31 C ATOM 823 CE LYS A 54 -9.451 0.738 -0.068 1.00 40.14 C ATOM 824 NZ LYS A 54 -8.688 -0.295 0.655 1.00 33.11 N ATOM 0 H LYS A 54 -11.247 0.973 -3.611 1.00 2.42 H new ATOM 0 HA LYS A 54 -9.228 1.771 -5.533 1.00 20.50 H new ATOM 0 HB2 LYS A 54 -7.394 1.564 -4.144 1.00 31.54 H new ATOM 0 HB3 LYS A 54 -8.524 2.611 -3.309 1.00 31.54 H new ATOM 0 HG2 LYS A 54 -7.871 -0.280 -2.627 1.00 52.15 H new ATOM 0 HG3 LYS A 54 -7.454 1.147 -1.700 1.00 52.15 H new ATOM 0 HD2 LYS A 54 -10.206 1.395 -1.971 1.00 22.31 H new ATOM 0 HD3 LYS A 54 -10.001 -0.341 -1.844 1.00 22.31 H new ATOM 0 HE2 LYS A 54 -9.011 1.707 0.167 1.00 40.14 H new ATOM 0 HE3 LYS A 54 -10.467 0.744 0.328 1.00 40.14 H new ATOM 0 HZ1 LYS A 54 -9.347 -0.963 1.104 1.00 33.11 H new ATOM 0 HZ2 LYS A 54 -8.077 -0.807 -0.013 1.00 33.11 H new ATOM 0 HZ3 LYS A 54 -8.100 0.155 1.386 1.00 33.11 H new ATOM 838 N LEU A 55 -10.523 -0.948 -5.255 1.00 40.31 N ATOM 839 CA LEU A 55 -10.605 -2.379 -5.568 1.00 2.10 C ATOM 840 C LEU A 55 -9.878 -2.762 -6.864 1.00 55.45 C ATOM 841 O LEU A 55 -9.547 -3.932 -7.056 1.00 31.43 O ATOM 842 CB LEU A 55 -12.089 -2.814 -5.562 1.00 42.32 C ATOM 843 CG LEU A 55 -12.361 -4.303 -5.844 1.00 20.41 C ATOM 844 CD1 LEU A 55 -11.682 -5.215 -4.811 1.00 52.43 C ATOM 845 CD2 LEU A 55 -13.868 -4.542 -5.752 1.00 24.30 C ATOM 0 H LEU A 55 -11.440 -0.511 -5.161 1.00 40.31 H new ATOM 0 HA LEU A 55 -10.073 -2.929 -4.792 1.00 2.10 H new ATOM 0 HB2 LEU A 55 -12.515 -2.566 -4.590 1.00 42.32 H new ATOM 0 HB3 LEU A 55 -12.623 -2.221 -6.305 1.00 42.32 H new ATOM 0 HG LEU A 55 -11.965 -4.537 -6.832 1.00 20.41 H new ATOM 0 HD11 LEU A 55 -11.899 -6.257 -5.047 1.00 52.43 H new ATOM 0 HD12 LEU A 55 -10.604 -5.054 -4.837 1.00 52.43 H new ATOM 0 HD13 LEU A 55 -12.060 -4.982 -3.816 1.00 52.43 H new ATOM 0 HD21 LEU A 55 -14.082 -5.592 -5.949 1.00 24.30 H new ATOM 0 HD22 LEU A 55 -14.217 -4.281 -4.753 1.00 24.30 H new ATOM 0 HD23 LEU A 55 -14.380 -3.923 -6.489 1.00 24.30 H new ATOM 857 N ASN A 56 -9.576 -1.798 -7.734 1.00 72.13 N ATOM 858 CA ASN A 56 -8.879 -1.999 -9.000 1.00 53.35 C ATOM 859 C ASN A 56 -7.768 -0.961 -9.221 1.00 72.14 C ATOM 860 O ASN A 56 -7.416 -0.655 -10.362 1.00 51.21 O ATOM 861 CB ASN A 56 -9.889 -2.093 -10.155 1.00 73.14 C ATOM 862 CG ASN A 56 -10.873 -0.938 -10.218 1.00 75.21 C ATOM 863 OD1 ASN A 56 -10.471 0.217 -10.319 1.00 24.31 O ATOM 864 ND2 ASN A 56 -12.164 -1.211 -10.113 1.00 11.30 N ATOM 0 H ASN A 56 -9.820 -0.821 -7.568 1.00 72.13 H new ATOM 0 HA ASN A 56 -8.356 -2.955 -8.965 1.00 53.35 H new ATOM 0 HB2 ASN A 56 -9.343 -2.142 -11.097 1.00 73.14 H new ATOM 0 HB3 ASN A 56 -10.446 -3.025 -10.061 1.00 73.14 H new ATOM 0 HD21 ASN A 56 -12.847 -0.454 -10.115 1.00 11.30 H new ATOM 0 HD22 ASN A 56 -12.476 -2.179 -10.030 1.00 11.30 H new ATOM 871 N VAL A 57 -7.141 -0.457 -8.152 1.00 53.23 N ATOM 872 CA VAL A 57 -5.815 0.168 -8.250 1.00 53.43 C ATOM 873 C VAL A 57 -4.823 -0.800 -8.890 1.00 0.01 C ATOM 874 O VAL A 57 -4.932 -2.021 -8.704 1.00 42.14 O ATOM 875 CB VAL A 57 -5.332 0.616 -6.849 1.00 52.23 C ATOM 876 CG1 VAL A 57 -5.150 -0.534 -5.849 1.00 75.23 C ATOM 877 CG2 VAL A 57 -3.989 1.373 -6.882 1.00 3.14 C ATOM 0 H VAL A 57 -7.529 -0.469 -7.209 1.00 53.23 H new ATOM 0 HA VAL A 57 -5.883 1.052 -8.884 1.00 53.43 H new ATOM 0 HB VAL A 57 -6.140 1.270 -6.521 1.00 52.23 H new ATOM 0 HG11 VAL A 57 -4.810 -0.135 -4.893 1.00 75.23 H new ATOM 0 HG12 VAL A 57 -6.101 -1.049 -5.710 1.00 75.23 H new ATOM 0 HG13 VAL A 57 -4.410 -1.236 -6.233 1.00 75.23 H new ATOM 0 HG21 VAL A 57 -3.707 1.659 -5.869 1.00 3.14 H new ATOM 0 HG22 VAL A 57 -3.218 0.728 -7.305 1.00 3.14 H new ATOM 0 HG23 VAL A 57 -4.091 2.268 -7.496 1.00 3.14 H new ATOM 887 N GLY A 58 -3.794 -0.264 -9.539 1.00 2.13 N ATOM 888 CA GLY A 58 -2.533 -0.943 -9.705 1.00 33.10 C ATOM 889 C GLY A 58 -1.353 -0.008 -9.454 1.00 34.34 C ATOM 890 O GLY A 58 -1.467 1.212 -9.321 1.00 62.53 O ATOM 0 H GLY A 58 -3.822 0.662 -9.965 1.00 2.13 H new ATOM 0 HA2 GLY A 58 -2.481 -1.788 -9.018 1.00 33.10 H new ATOM 0 HA3 GLY A 58 -2.468 -1.349 -10.715 1.00 33.10 H new ATOM 894 N LEU A 59 -0.175 -0.615 -9.386 1.00 32.22 N ATOM 895 CA LEU A 59 1.097 0.086 -9.411 1.00 40.25 C ATOM 896 C LEU A 59 1.404 0.459 -10.853 1.00 41.44 C ATOM 897 O LEU A 59 1.058 -0.290 -11.771 1.00 42.44 O ATOM 898 CB LEU A 59 2.191 -0.854 -8.871 1.00 51.32 C ATOM 899 CG LEU A 59 3.058 -0.288 -7.748 1.00 54.31 C ATOM 900 CD1 LEU A 59 3.965 0.796 -8.303 1.00 33.43 C ATOM 901 CD2 LEU A 59 2.219 0.261 -6.592 1.00 2.34 C ATOM 0 H LEU A 59 -0.078 -1.628 -9.311 1.00 32.22 H new ATOM 0 HA LEU A 59 1.058 0.985 -8.796 1.00 40.25 H new ATOM 0 HB2 LEU A 59 1.715 -1.767 -8.512 1.00 51.32 H new ATOM 0 HB3 LEU A 59 2.841 -1.138 -9.699 1.00 51.32 H new ATOM 0 HG LEU A 59 3.660 -1.103 -7.347 1.00 54.31 H new ATOM 0 HD11 LEU A 59 4.583 1.199 -7.501 1.00 33.43 H new ATOM 0 HD12 LEU A 59 4.605 0.373 -9.077 1.00 33.43 H new ATOM 0 HD13 LEU A 59 3.358 1.595 -8.730 1.00 33.43 H new ATOM 0 HD21 LEU A 59 2.879 0.652 -5.818 1.00 2.34 H new ATOM 0 HD22 LEU A 59 1.574 1.060 -6.958 1.00 2.34 H new ATOM 0 HD23 LEU A 59 1.605 -0.538 -6.176 1.00 2.34 H new ATOM 913 N VAL A 60 2.113 1.563 -11.051 1.00 62.44 N ATOM 914 CA VAL A 60 2.592 2.018 -12.351 1.00 21.52 C ATOM 915 C VAL A 60 4.114 2.001 -12.416 1.00 62.53 C ATOM 916 O VAL A 60 4.668 1.618 -13.447 1.00 62.41 O ATOM 917 CB VAL A 60 1.964 3.376 -12.718 1.00 71.53 C ATOM 918 CG1 VAL A 60 0.669 3.088 -13.472 1.00 43.23 C ATOM 919 CG2 VAL A 60 1.635 4.279 -11.529 1.00 32.42 C ATOM 0 H VAL A 60 2.379 2.186 -10.288 1.00 62.44 H new ATOM 0 HA VAL A 60 2.262 1.317 -13.118 1.00 21.52 H new ATOM 0 HB VAL A 60 2.705 3.917 -13.307 1.00 71.53 H new ATOM 0 HG11 VAL A 60 0.193 4.028 -13.750 1.00 43.23 H new ATOM 0 HG12 VAL A 60 0.892 2.514 -14.372 1.00 43.23 H new ATOM 0 HG13 VAL A 60 -0.004 2.516 -12.834 1.00 43.23 H new ATOM 0 HG21 VAL A 60 1.198 5.210 -11.889 1.00 32.42 H new ATOM 0 HG22 VAL A 60 0.925 3.774 -10.874 1.00 32.42 H new ATOM 0 HG23 VAL A 60 2.548 4.497 -10.975 1.00 32.42 H new ATOM 929 N GLY A 61 4.793 2.290 -11.310 1.00 51.45 N ATOM 930 CA GLY A 61 6.233 2.123 -11.205 1.00 72.24 C ATOM 931 C GLY A 61 6.732 2.588 -9.854 1.00 3.22 C ATOM 932 O GLY A 61 6.018 3.272 -9.116 1.00 21.20 O ATOM 0 H GLY A 61 4.356 2.647 -10.461 1.00 51.45 H new ATOM 0 HA2 GLY A 61 6.494 1.075 -11.353 1.00 72.24 H new ATOM 0 HA3 GLY A 61 6.728 2.689 -11.995 1.00 72.24 H new ATOM 936 N VAL A 62 7.960 2.199 -9.522 1.00 64.51 N ATOM 937 CA VAL A 62 8.635 2.657 -8.325 1.00 14.04 C ATOM 938 C VAL A 62 10.092 2.838 -8.743 1.00 20.42 C ATOM 939 O VAL A 62 10.654 1.983 -9.435 1.00 63.22 O ATOM 940 CB VAL A 62 8.467 1.661 -7.153 1.00 13.30 C ATOM 941 CG1 VAL A 62 8.586 2.384 -5.806 1.00 1.23 C ATOM 942 CG2 VAL A 62 7.135 0.917 -7.129 1.00 34.53 C ATOM 0 H VAL A 62 8.513 1.552 -10.084 1.00 64.51 H new ATOM 0 HA VAL A 62 8.215 3.588 -7.946 1.00 14.04 H new ATOM 0 HB VAL A 62 9.263 0.933 -7.311 1.00 13.30 H new ATOM 0 HG11 VAL A 62 8.465 1.665 -4.995 1.00 1.23 H new ATOM 0 HG12 VAL A 62 9.567 2.854 -5.731 1.00 1.23 H new ATOM 0 HG13 VAL A 62 7.811 3.147 -5.733 1.00 1.23 H new ATOM 0 HG21 VAL A 62 7.110 0.243 -6.273 1.00 34.53 H new ATOM 0 HG22 VAL A 62 6.319 1.635 -7.049 1.00 34.53 H new ATOM 0 HG23 VAL A 62 7.023 0.341 -8.048 1.00 34.53 H new ATOM 952 N GLU A 63 10.703 3.966 -8.402 1.00 12.10 N ATOM 953 CA GLU A 63 12.093 4.262 -8.764 1.00 74.23 C ATOM 954 C GLU A 63 12.784 5.031 -7.631 1.00 51.03 C ATOM 955 O GLU A 63 12.115 5.711 -6.855 1.00 61.25 O ATOM 956 CB GLU A 63 12.183 4.928 -10.152 1.00 41.05 C ATOM 957 CG GLU A 63 11.250 6.116 -10.390 1.00 73.23 C ATOM 958 CD GLU A 63 11.903 7.482 -10.225 1.00 73.52 C ATOM 959 OE1 GLU A 63 12.450 7.771 -9.150 1.00 74.13 O ATOM 960 OE2 GLU A 63 11.869 8.244 -11.226 1.00 43.43 O ATOM 0 H GLU A 63 10.251 4.706 -7.865 1.00 12.10 H new ATOM 0 HA GLU A 63 12.651 3.332 -8.873 1.00 74.23 H new ATOM 0 HB2 GLU A 63 13.209 5.261 -10.307 1.00 41.05 H new ATOM 0 HB3 GLU A 63 11.976 4.172 -10.909 1.00 41.05 H new ATOM 0 HG2 GLU A 63 10.841 6.043 -11.398 1.00 73.23 H new ATOM 0 HG3 GLU A 63 10.410 6.044 -9.699 1.00 73.23 H new ATOM 967 N PRO A 64 14.088 4.806 -7.420 1.00 54.04 N ATOM 968 CA PRO A 64 14.770 5.140 -6.180 1.00 4.31 C ATOM 969 C PRO A 64 14.940 6.654 -6.064 1.00 12.14 C ATOM 970 O PRO A 64 15.695 7.262 -6.824 1.00 71.25 O ATOM 971 CB PRO A 64 16.095 4.378 -6.235 1.00 13.21 C ATOM 972 CG PRO A 64 16.368 4.234 -7.733 1.00 32.21 C ATOM 973 CD PRO A 64 14.972 4.109 -8.335 1.00 2.21 C ATOM 0 HA PRO A 64 14.212 4.852 -5.289 1.00 4.31 H new ATOM 0 HB2 PRO A 64 16.893 4.925 -5.733 1.00 13.21 H new ATOM 0 HB3 PRO A 64 16.019 3.407 -5.747 1.00 13.21 H new ATOM 0 HG2 PRO A 64 16.901 5.098 -8.129 1.00 32.21 H new ATOM 0 HG3 PRO A 64 16.979 3.357 -7.948 1.00 32.21 H new ATOM 0 HD2 PRO A 64 14.933 4.551 -9.330 1.00 2.21 H new ATOM 0 HD3 PRO A 64 14.682 3.063 -8.439 1.00 2.21 H new ATOM 981 N ALA A 65 14.236 7.264 -5.114 1.00 44.31 N ATOM 982 CA ALA A 65 14.261 8.693 -4.871 1.00 60.44 C ATOM 983 C ALA A 65 15.357 9.002 -3.853 1.00 62.43 C ATOM 984 O ALA A 65 15.278 8.596 -2.689 1.00 71.31 O ATOM 985 CB ALA A 65 12.883 9.154 -4.386 1.00 33.12 C ATOM 0 H ALA A 65 13.618 6.760 -4.478 1.00 44.31 H new ATOM 0 HA ALA A 65 14.485 9.236 -5.789 1.00 60.44 H new ATOM 0 HB1 ALA A 65 12.902 10.228 -4.203 1.00 33.12 H new ATOM 0 HB2 ALA A 65 12.135 8.928 -5.147 1.00 33.12 H new ATOM 0 HB3 ALA A 65 12.629 8.634 -3.462 1.00 33.12 H new ATOM 991 N GLY A 66 16.380 9.747 -4.253 1.00 63.11 N ATOM 992 CA GLY A 66 17.319 10.361 -3.323 1.00 43.24 C ATOM 993 C GLY A 66 18.365 9.423 -2.735 1.00 2.13 C ATOM 994 O GLY A 66 19.271 9.919 -2.092 1.00 60.32 O ATOM 0 H GLY A 66 16.582 9.943 -5.233 1.00 63.11 H new ATOM 0 HA2 GLY A 66 17.832 11.174 -3.836 1.00 43.24 H new ATOM 0 HA3 GLY A 66 16.754 10.807 -2.504 1.00 43.24 H new ATOM 998 N GLN A 67 18.327 8.132 -3.054 1.00 1.13 N ATOM 999 CA GLN A 67 19.097 6.972 -2.633 1.00 2.23 C ATOM 1000 C GLN A 67 18.666 6.434 -1.267 1.00 13.14 C ATOM 1001 O GLN A 67 19.143 5.387 -0.840 1.00 42.02 O ATOM 1002 CB GLN A 67 20.596 7.286 -2.605 1.00 3.44 C ATOM 1003 CG GLN A 67 21.161 8.132 -3.765 1.00 64.44 C ATOM 1004 CD GLN A 67 22.641 7.907 -4.080 1.00 1.20 C ATOM 1005 OE1 GLN A 67 23.227 6.852 -3.822 1.00 43.35 O ATOM 1006 NE2 GLN A 67 23.287 8.896 -4.676 1.00 63.14 N ATOM 0 H GLN A 67 17.629 7.831 -3.735 1.00 1.13 H new ATOM 0 HA GLN A 67 18.898 6.197 -3.373 1.00 2.23 H new ATOM 0 HB2 GLN A 67 20.815 7.804 -1.671 1.00 3.44 H new ATOM 0 HB3 GLN A 67 21.139 6.341 -2.581 1.00 3.44 H new ATOM 0 HG2 GLN A 67 20.580 7.921 -4.663 1.00 64.44 H new ATOM 0 HG3 GLN A 67 21.013 9.186 -3.529 1.00 64.44 H new ATOM 0 HE21 GLN A 67 22.801 9.767 -4.889 1.00 63.14 H new ATOM 0 HE22 GLN A 67 24.271 8.787 -4.923 1.00 63.14 H new ATOM 1015 N TYR A 68 17.692 7.085 -0.627 1.00 34.10 N ATOM 1016 CA TYR A 68 17.180 6.712 0.682 1.00 63.24 C ATOM 1017 C TYR A 68 15.664 6.474 0.697 1.00 64.24 C ATOM 1018 O TYR A 68 15.120 6.052 1.721 1.00 34.20 O ATOM 1019 CB TYR A 68 17.579 7.776 1.705 1.00 1.03 C ATOM 1020 CG TYR A 68 17.869 9.173 1.199 1.00 23.43 C ATOM 1021 CD1 TYR A 68 16.808 10.074 0.997 1.00 2.31 C ATOM 1022 CD2 TYR A 68 19.191 9.569 0.942 1.00 20.34 C ATOM 1023 CE1 TYR A 68 17.069 11.378 0.558 1.00 62.41 C ATOM 1024 CE2 TYR A 68 19.463 10.870 0.480 1.00 32.53 C ATOM 1025 CZ TYR A 68 18.399 11.785 0.308 1.00 31.41 C ATOM 1026 OH TYR A 68 18.659 13.044 -0.136 1.00 62.11 O ATOM 0 H TYR A 68 17.230 7.905 -1.019 1.00 34.10 H new ATOM 0 HA TYR A 68 17.630 5.755 0.948 1.00 63.24 H new ATOM 0 HB2 TYR A 68 16.780 7.847 2.443 1.00 1.03 H new ATOM 0 HB3 TYR A 68 18.466 7.420 2.229 1.00 1.03 H new ATOM 0 HD1 TYR A 68 15.791 9.760 1.181 1.00 2.31 H new ATOM 0 HD2 TYR A 68 20.002 8.873 1.099 1.00 20.34 H new ATOM 0 HE1 TYR A 68 16.255 12.072 0.411 1.00 62.41 H new ATOM 0 HE2 TYR A 68 20.477 11.167 0.258 1.00 32.53 H new ATOM 0 HH TYR A 68 19.625 13.156 -0.255 1.00 62.11 H new ATOM 1036 N ALA A 69 14.975 6.750 -0.408 1.00 42.44 N ATOM 1037 CA ALA A 69 13.538 6.627 -0.550 1.00 53.14 C ATOM 1038 C ALA A 69 13.234 5.937 -1.891 1.00 31.42 C ATOM 1039 O ALA A 69 14.126 5.756 -2.721 1.00 64.12 O ATOM 1040 CB ALA A 69 12.910 8.017 -0.402 1.00 62.11 C ATOM 0 H ALA A 69 15.428 7.079 -1.261 1.00 42.44 H new ATOM 0 HA ALA A 69 13.097 6.003 0.227 1.00 53.14 H new ATOM 0 HB1 ALA A 69 11.828 7.940 -0.507 1.00 62.11 H new ATOM 0 HB2 ALA A 69 13.152 8.423 0.580 1.00 62.11 H new ATOM 0 HB3 ALA A 69 13.303 8.678 -1.174 1.00 62.11 H new ATOM 1046 N LEU A 70 11.973 5.581 -2.135 1.00 20.34 N ATOM 1047 CA LEU A 70 11.490 4.990 -3.382 1.00 23.32 C ATOM 1048 C LEU A 70 10.237 5.779 -3.760 1.00 34.33 C ATOM 1049 O LEU A 70 9.349 5.925 -2.920 1.00 51.04 O ATOM 1050 CB LEU A 70 11.175 3.489 -3.206 1.00 40.05 C ATOM 1051 CG LEU A 70 12.064 2.548 -4.032 1.00 53.22 C ATOM 1052 CD1 LEU A 70 11.691 1.099 -3.707 1.00 61.41 C ATOM 1053 CD2 LEU A 70 11.931 2.734 -5.546 1.00 32.23 C ATOM 0 H LEU A 70 11.233 5.701 -1.444 1.00 20.34 H new ATOM 0 HA LEU A 70 12.245 5.046 -4.166 1.00 23.32 H new ATOM 0 HB2 LEU A 70 11.277 3.231 -2.152 1.00 40.05 H new ATOM 0 HB3 LEU A 70 10.134 3.315 -3.478 1.00 40.05 H new ATOM 0 HG LEU A 70 13.092 2.788 -3.762 1.00 53.22 H new ATOM 0 HD11 LEU A 70 12.317 0.423 -4.289 1.00 61.41 H new ATOM 0 HD12 LEU A 70 11.846 0.913 -2.644 1.00 61.41 H new ATOM 0 HD13 LEU A 70 10.644 0.928 -3.956 1.00 61.41 H new ATOM 0 HD21 LEU A 70 12.590 2.033 -6.058 1.00 32.23 H new ATOM 0 HD22 LEU A 70 10.900 2.548 -5.846 1.00 32.23 H new ATOM 0 HD23 LEU A 70 12.208 3.754 -5.813 1.00 32.23 H new ATOM 1065 N LYS A 71 10.178 6.301 -4.982 1.00 31.54 N ATOM 1066 CA LYS A 71 9.087 7.078 -5.558 1.00 53.21 C ATOM 1067 C LYS A 71 7.894 6.173 -5.857 1.00 42.42 C ATOM 1068 O LYS A 71 7.804 5.629 -6.961 1.00 33.33 O ATOM 1069 CB LYS A 71 9.618 7.717 -6.849 1.00 1.40 C ATOM 1070 CG LYS A 71 8.594 8.632 -7.535 1.00 62.43 C ATOM 1071 CD LYS A 71 9.124 9.008 -8.918 1.00 15.01 C ATOM 1072 CE LYS A 71 8.076 9.774 -9.725 1.00 72.14 C ATOM 1073 NZ LYS A 71 7.162 8.887 -10.486 1.00 53.32 N ATOM 0 H LYS A 71 10.947 6.183 -5.642 1.00 31.54 H new ATOM 0 HA LYS A 71 8.748 7.846 -4.863 1.00 53.21 H new ATOM 0 HB2 LYS A 71 10.515 8.293 -6.620 1.00 1.40 H new ATOM 0 HB3 LYS A 71 9.914 6.929 -7.542 1.00 1.40 H new ATOM 0 HG2 LYS A 71 7.633 8.125 -7.623 1.00 62.43 H new ATOM 0 HG3 LYS A 71 8.428 9.528 -6.937 1.00 62.43 H new ATOM 0 HD2 LYS A 71 10.022 9.617 -8.812 1.00 15.01 H new ATOM 0 HD3 LYS A 71 9.413 8.106 -9.457 1.00 15.01 H new ATOM 0 HE2 LYS A 71 7.489 10.396 -9.049 1.00 72.14 H new ATOM 0 HE3 LYS A 71 8.581 10.446 -10.419 1.00 72.14 H new ATOM 0 HZ1 LYS A 71 6.405 9.456 -10.916 1.00 53.32 H new ATOM 0 HZ2 LYS A 71 7.695 8.398 -11.234 1.00 53.32 H new ATOM 0 HZ3 LYS A 71 6.745 8.184 -9.843 1.00 53.32 H new ATOM 1087 N LEU A 72 6.994 5.961 -4.905 1.00 52.25 N ATOM 1088 CA LEU A 72 5.867 5.084 -5.098 1.00 21.23 C ATOM 1089 C LEU A 72 4.794 5.754 -5.953 1.00 71.43 C ATOM 1090 O LEU A 72 4.190 6.732 -5.521 1.00 31.52 O ATOM 1091 CB LEU A 72 5.365 4.656 -3.721 1.00 23.12 C ATOM 1092 CG LEU A 72 5.063 3.162 -3.613 1.00 53.34 C ATOM 1093 CD1 LEU A 72 4.552 2.454 -4.864 1.00 60.52 C ATOM 1094 CD2 LEU A 72 6.168 2.332 -2.982 1.00 53.21 C ATOM 0 H LEU A 72 7.033 6.395 -3.983 1.00 52.25 H new ATOM 0 HA LEU A 72 6.157 4.191 -5.652 1.00 21.23 H new ATOM 0 HB2 LEU A 72 6.112 4.921 -2.973 1.00 23.12 H new ATOM 0 HB3 LEU A 72 4.462 5.218 -3.483 1.00 23.12 H new ATOM 0 HG LEU A 72 4.215 3.209 -2.930 1.00 53.34 H new ATOM 0 HD11 LEU A 72 4.380 1.401 -4.642 1.00 60.52 H new ATOM 0 HD12 LEU A 72 3.618 2.914 -5.186 1.00 60.52 H new ATOM 0 HD13 LEU A 72 5.292 2.541 -5.659 1.00 60.52 H new ATOM 0 HD21 LEU A 72 5.863 1.286 -2.948 1.00 53.21 H new ATOM 0 HD22 LEU A 72 7.078 2.426 -3.575 1.00 53.21 H new ATOM 0 HD23 LEU A 72 6.357 2.688 -1.969 1.00 53.21 H new ATOM 1106 N SER A 73 4.574 5.245 -7.169 1.00 20.44 N ATOM 1107 CA SER A 73 3.653 5.818 -8.145 1.00 21.13 C ATOM 1108 C SER A 73 2.450 4.873 -8.251 1.00 14.21 C ATOM 1109 O SER A 73 2.617 3.701 -8.598 1.00 33.24 O ATOM 1110 CB SER A 73 4.398 6.012 -9.477 1.00 0.14 C ATOM 1111 OG SER A 73 5.629 6.704 -9.273 1.00 51.14 O ATOM 0 H SER A 73 5.044 4.405 -7.506 1.00 20.44 H new ATOM 0 HA SER A 73 3.285 6.800 -7.849 1.00 21.13 H new ATOM 0 HB2 SER A 73 4.592 5.042 -9.935 1.00 0.14 H new ATOM 0 HB3 SER A 73 3.771 6.572 -10.171 1.00 0.14 H new ATOM 0 HG SER A 73 6.324 6.308 -9.839 1.00 51.14 H new ATOM 1117 N PHE A 74 1.248 5.346 -7.919 1.00 63.24 N ATOM 1118 CA PHE A 74 0.036 4.544 -7.806 1.00 34.30 C ATOM 1119 C PHE A 74 -1.016 5.114 -8.750 1.00 54.43 C ATOM 1120 O PHE A 74 -1.359 6.292 -8.636 1.00 52.01 O ATOM 1121 CB PHE A 74 -0.502 4.627 -6.374 1.00 14.12 C ATOM 1122 CG PHE A 74 0.403 4.112 -5.278 1.00 32.14 C ATOM 1123 CD1 PHE A 74 0.452 2.736 -5.005 1.00 73.14 C ATOM 1124 CD2 PHE A 74 1.124 5.006 -4.464 1.00 40.31 C ATOM 1125 CE1 PHE A 74 1.133 2.269 -3.874 1.00 43.15 C ATOM 1126 CE2 PHE A 74 1.765 4.542 -3.305 1.00 41.13 C ATOM 1127 CZ PHE A 74 1.739 3.177 -2.991 1.00 3.30 C ATOM 0 H PHE A 74 1.089 6.333 -7.715 1.00 63.24 H new ATOM 0 HA PHE A 74 0.259 3.507 -8.058 1.00 34.30 H new ATOM 0 HB2 PHE A 74 -0.738 5.669 -6.159 1.00 14.12 H new ATOM 0 HB3 PHE A 74 -1.439 4.072 -6.330 1.00 14.12 H new ATOM 0 HD1 PHE A 74 -0.036 2.037 -5.668 1.00 73.14 H new ATOM 0 HD2 PHE A 74 1.184 6.051 -4.732 1.00 40.31 H new ATOM 0 HE1 PHE A 74 1.192 1.208 -3.681 1.00 43.15 H new ATOM 0 HE2 PHE A 74 2.278 5.236 -2.656 1.00 41.13 H new ATOM 0 HZ PHE A 74 2.184 2.824 -2.072 1.00 3.30 H new ATOM 1137 N ASP A 75 -1.557 4.298 -9.657 1.00 11.41 N ATOM 1138 CA ASP A 75 -2.548 4.786 -10.629 1.00 34.20 C ATOM 1139 C ASP A 75 -3.947 5.030 -10.045 1.00 23.12 C ATOM 1140 O ASP A 75 -4.785 5.638 -10.716 1.00 64.24 O ATOM 1141 CB ASP A 75 -2.582 3.944 -11.913 1.00 12.11 C ATOM 1142 CG ASP A 75 -3.075 2.496 -11.810 1.00 43.41 C ATOM 1143 OD1 ASP A 75 -3.850 2.166 -10.894 1.00 43.34 O ATOM 1144 OD2 ASP A 75 -2.682 1.696 -12.704 1.00 0.21 O ATOM 0 H ASP A 75 -1.332 3.307 -9.742 1.00 11.41 H new ATOM 0 HA ASP A 75 -2.191 5.777 -10.911 1.00 34.20 H new ATOM 0 HB2 ASP A 75 -3.214 4.461 -12.635 1.00 12.11 H new ATOM 0 HB3 ASP A 75 -1.574 3.925 -12.327 1.00 12.11 H new ATOM 1149 N ASP A 76 -4.180 4.676 -8.778 1.00 34.41 N ATOM 1150 CA ASP A 76 -5.355 5.138 -8.034 1.00 64.22 C ATOM 1151 C ASP A 76 -5.327 6.646 -7.792 1.00 41.14 C ATOM 1152 O ASP A 76 -6.387 7.267 -7.720 1.00 60.52 O ATOM 1153 CB ASP A 76 -5.463 4.418 -6.690 1.00 51.11 C ATOM 1154 CG ASP A 76 -6.659 4.892 -5.868 1.00 0.10 C ATOM 1155 OD1 ASP A 76 -7.791 4.804 -6.393 1.00 53.42 O ATOM 1156 OD2 ASP A 76 -6.462 5.284 -4.698 1.00 35.42 O ATOM 0 H ASP A 76 -3.564 4.065 -8.242 1.00 34.41 H new ATOM 0 HA ASP A 76 -6.224 4.905 -8.649 1.00 64.22 H new ATOM 0 HB2 ASP A 76 -5.547 3.345 -6.862 1.00 51.11 H new ATOM 0 HB3 ASP A 76 -4.548 4.579 -6.120 1.00 51.11 H new ATOM 1161 N GLY A 77 -4.132 7.230 -7.713 1.00 15.42 N ATOM 1162 CA GLY A 77 -3.923 8.639 -7.454 1.00 2.21 C ATOM 1163 C GLY A 77 -3.122 8.849 -6.172 1.00 52.11 C ATOM 1164 O GLY A 77 -2.776 7.912 -5.451 1.00 72.31 O ATOM 0 H GLY A 77 -3.261 6.713 -7.832 1.00 15.42 H new ATOM 0 HA2 GLY A 77 -3.396 9.092 -8.294 1.00 2.21 H new ATOM 0 HA3 GLY A 77 -4.886 9.144 -7.372 1.00 2.21 H new ATOM 1168 N HIS A 78 -2.855 10.130 -5.917 1.00 72.25 N ATOM 1169 CA HIS A 78 -2.117 10.708 -4.812 1.00 71.23 C ATOM 1170 C HIS A 78 -0.825 9.949 -4.512 1.00 54.25 C ATOM 1171 O HIS A 78 -0.685 9.319 -3.455 1.00 72.14 O ATOM 1172 CB HIS A 78 -3.028 10.972 -3.607 1.00 2.22 C ATOM 1173 CG HIS A 78 -2.506 12.119 -2.779 1.00 12.23 C ATOM 1174 ND1 HIS A 78 -1.917 12.038 -1.540 1.00 64.42 N ATOM 1175 CD2 HIS A 78 -2.443 13.425 -3.182 1.00 3.30 C ATOM 1176 CE1 HIS A 78 -1.475 13.259 -1.209 1.00 34.43 C ATOM 1177 NE2 HIS A 78 -1.773 14.136 -2.184 1.00 4.34 N ATOM 0 H HIS A 78 -3.189 10.857 -6.550 1.00 72.25 H new ATOM 0 HA HIS A 78 -1.765 11.695 -5.112 1.00 71.23 H new ATOM 0 HB2 HIS A 78 -4.037 11.197 -3.951 1.00 2.22 H new ATOM 0 HB3 HIS A 78 -3.094 10.074 -2.992 1.00 2.22 H new ATOM 0 HD2 HIS A 78 -2.838 13.831 -4.102 1.00 3.30 H new ATOM 0 HE1 HIS A 78 -0.956 13.503 -0.294 1.00 34.43 H new ATOM 0 HE2 HIS A 78 -1.552 15.132 -2.193 1.00 4.34 H new ATOM 1185 N ASP A 79 0.133 10.031 -5.438 1.00 75.42 N ATOM 1186 CA ASP A 79 1.515 9.646 -5.173 1.00 15.34 C ATOM 1187 C ASP A 79 2.038 10.505 -4.022 1.00 32.11 C ATOM 1188 O ASP A 79 1.811 11.720 -3.974 1.00 63.21 O ATOM 1189 CB ASP A 79 2.409 9.700 -6.426 1.00 44.32 C ATOM 1190 CG ASP A 79 3.034 11.060 -6.758 1.00 72.43 C ATOM 1191 OD1 ASP A 79 2.393 11.861 -7.481 1.00 40.02 O ATOM 1192 OD2 ASP A 79 4.242 11.251 -6.502 1.00 15.12 O ATOM 0 H ASP A 79 -0.030 10.365 -6.388 1.00 75.42 H new ATOM 0 HA ASP A 79 1.545 8.597 -4.878 1.00 15.34 H new ATOM 0 HB2 ASP A 79 3.213 8.975 -6.303 1.00 44.32 H new ATOM 0 HB3 ASP A 79 1.817 9.378 -7.283 1.00 44.32 H new ATOM 1197 N SER A 80 2.642 9.845 -3.038 1.00 74.44 N ATOM 1198 CA SER A 80 3.193 10.476 -1.853 1.00 11.03 C ATOM 1199 C SER A 80 4.689 10.695 -2.067 1.00 4.33 C ATOM 1200 O SER A 80 5.319 9.989 -2.856 1.00 31.54 O ATOM 1201 CB SER A 80 2.953 9.569 -0.647 1.00 44.31 C ATOM 1202 OG SER A 80 1.582 9.284 -0.473 1.00 35.14 O ATOM 0 H SER A 80 2.762 8.832 -3.047 1.00 74.44 H new ATOM 0 HA SER A 80 2.712 11.437 -1.671 1.00 11.03 H new ATOM 0 HB2 SER A 80 3.505 8.638 -0.776 1.00 44.31 H new ATOM 0 HB3 SER A 80 3.342 10.048 0.252 1.00 44.31 H new ATOM 0 HG SER A 80 1.443 8.314 -0.504 1.00 35.14 H new ATOM 1208 N GLY A 81 5.269 11.651 -1.339 1.00 64.54 N ATOM 1209 CA GLY A 81 6.652 12.059 -1.530 1.00 42.01 C ATOM 1210 C GLY A 81 7.660 10.987 -1.118 1.00 62.15 C ATOM 1211 O GLY A 81 8.395 10.470 -1.969 1.00 12.14 O ATOM 0 H GLY A 81 4.787 12.162 -0.600 1.00 64.54 H new ATOM 0 HA2 GLY A 81 6.808 12.311 -2.579 1.00 42.01 H new ATOM 0 HA3 GLY A 81 6.839 12.965 -0.954 1.00 42.01 H new ATOM 1215 N LEU A 82 7.750 10.695 0.185 1.00 41.04 N ATOM 1216 CA LEU A 82 8.993 10.254 0.810 1.00 31.53 C ATOM 1217 C LEU A 82 8.747 9.099 1.794 1.00 15.00 C ATOM 1218 O LEU A 82 8.739 9.275 3.008 1.00 2.44 O ATOM 1219 CB LEU A 82 9.684 11.485 1.446 1.00 52.23 C ATOM 1220 CG LEU A 82 11.212 11.394 1.599 1.00 2.34 C ATOM 1221 CD1 LEU A 82 11.672 10.168 2.382 1.00 51.22 C ATOM 1222 CD2 LEU A 82 11.926 11.423 0.244 1.00 2.41 C ATOM 0 H LEU A 82 6.963 10.759 0.830 1.00 41.04 H new ATOM 0 HA LEU A 82 9.671 9.840 0.064 1.00 31.53 H new ATOM 0 HB2 LEU A 82 9.450 12.361 0.841 1.00 52.23 H new ATOM 0 HB3 LEU A 82 9.249 11.653 2.431 1.00 52.23 H new ATOM 0 HG LEU A 82 11.487 12.279 2.173 1.00 2.34 H new ATOM 0 HD11 LEU A 82 12.760 10.168 2.451 1.00 51.22 H new ATOM 0 HD12 LEU A 82 11.245 10.195 3.384 1.00 51.22 H new ATOM 0 HD13 LEU A 82 11.341 9.264 1.871 1.00 51.22 H new ATOM 0 HD21 LEU A 82 13.003 11.357 0.399 1.00 2.41 H new ATOM 0 HD22 LEU A 82 11.593 10.579 -0.361 1.00 2.41 H new ATOM 0 HD23 LEU A 82 11.690 12.354 -0.272 1.00 2.41 H new ATOM 1234 N PHE A 83 8.598 7.889 1.253 1.00 64.54 N ATOM 1235 CA PHE A 83 8.362 6.656 2.011 1.00 23.12 C ATOM 1236 C PHE A 83 9.520 6.302 2.962 1.00 23.04 C ATOM 1237 O PHE A 83 9.287 6.039 4.142 1.00 31.30 O ATOM 1238 CB PHE A 83 8.093 5.517 1.013 1.00 4.04 C ATOM 1239 CG PHE A 83 6.624 5.223 0.778 1.00 14.11 C ATOM 1240 CD1 PHE A 83 5.921 5.925 -0.220 1.00 1.01 C ATOM 1241 CD2 PHE A 83 5.954 4.248 1.548 1.00 41.24 C ATOM 1242 CE1 PHE A 83 4.555 5.670 -0.428 1.00 22.53 C ATOM 1243 CE2 PHE A 83 4.594 3.986 1.330 1.00 20.31 C ATOM 1244 CZ PHE A 83 3.899 4.698 0.349 1.00 60.12 C ATOM 0 H PHE A 83 8.639 7.734 0.246 1.00 64.54 H new ATOM 0 HA PHE A 83 7.495 6.808 2.654 1.00 23.12 H new ATOM 0 HB2 PHE A 83 8.558 5.769 0.060 1.00 4.04 H new ATOM 0 HB3 PHE A 83 8.579 4.611 1.375 1.00 4.04 H new ATOM 0 HD1 PHE A 83 6.432 6.659 -0.825 1.00 1.01 H new ATOM 0 HD2 PHE A 83 6.491 3.701 2.309 1.00 41.24 H new ATOM 0 HE1 PHE A 83 4.010 6.219 -1.182 1.00 22.53 H new ATOM 0 HE2 PHE A 83 4.085 3.237 1.918 1.00 20.31 H new ATOM 0 HZ PHE A 83 2.850 4.501 0.186 1.00 60.12 H new ATOM 1254 N THR A 84 10.761 6.281 2.463 1.00 75.54 N ATOM 1255 CA THR A 84 12.000 5.885 3.155 1.00 73.31 C ATOM 1256 C THR A 84 12.149 4.358 3.339 1.00 31.33 C ATOM 1257 O THR A 84 11.168 3.622 3.453 1.00 52.54 O ATOM 1258 CB THR A 84 12.154 6.604 4.516 1.00 61.42 C ATOM 1259 OG1 THR A 84 11.559 7.882 4.532 1.00 14.10 O ATOM 1260 CG2 THR A 84 13.622 6.840 4.860 1.00 14.30 C ATOM 0 H THR A 84 10.942 6.559 1.498 1.00 75.54 H new ATOM 0 HA THR A 84 12.806 6.203 2.494 1.00 73.31 H new ATOM 0 HB THR A 84 11.665 5.942 5.230 1.00 61.42 H new ATOM 0 HG1 THR A 84 11.684 8.290 5.414 1.00 14.10 H new ATOM 0 HG21 THR A 84 13.693 7.347 5.822 1.00 14.30 H new ATOM 0 HG22 THR A 84 14.141 5.883 4.915 1.00 14.30 H new ATOM 0 HG23 THR A 84 14.081 7.459 4.089 1.00 14.30 H new ATOM 1268 N TRP A 85 13.393 3.869 3.403 1.00 44.21 N ATOM 1269 CA TRP A 85 13.707 2.442 3.418 1.00 24.33 C ATOM 1270 C TRP A 85 13.213 1.663 4.647 1.00 12.51 C ATOM 1271 O TRP A 85 12.747 0.538 4.475 1.00 72.21 O ATOM 1272 CB TRP A 85 15.216 2.243 3.201 1.00 34.52 C ATOM 1273 CG TRP A 85 15.676 2.472 1.792 1.00 42.41 C ATOM 1274 CD1 TRP A 85 16.640 3.323 1.375 1.00 14.20 C ATOM 1275 CD2 TRP A 85 15.203 1.811 0.586 1.00 74.11 C ATOM 1276 NE1 TRP A 85 16.757 3.272 0.000 1.00 42.34 N ATOM 1277 CE2 TRP A 85 15.848 2.395 -0.542 1.00 2.21 C ATOM 1278 CE3 TRP A 85 14.238 0.816 0.329 1.00 52.41 C ATOM 1279 CZ2 TRP A 85 15.509 2.046 -1.854 1.00 33.33 C ATOM 1280 CZ3 TRP A 85 13.899 0.450 -0.983 1.00 61.24 C ATOM 1281 CH2 TRP A 85 14.519 1.082 -2.072 1.00 14.41 C ATOM 0 H TRP A 85 14.219 4.465 3.446 1.00 44.21 H new ATOM 0 HA TRP A 85 13.141 2.009 2.593 1.00 24.33 H new ATOM 0 HB2 TRP A 85 15.758 2.920 3.861 1.00 34.52 H new ATOM 0 HB3 TRP A 85 15.482 1.228 3.497 1.00 34.52 H new ATOM 0 HD1 TRP A 85 17.233 3.952 2.023 1.00 14.20 H new ATOM 0 HE1 TRP A 85 17.430 3.814 -0.542 1.00 42.34 H new ATOM 0 HE3 TRP A 85 13.750 0.326 1.158 1.00 52.41 H new ATOM 0 HZ2 TRP A 85 16.006 2.516 -2.690 1.00 33.33 H new ATOM 0 HZ3 TRP A 85 13.160 -0.319 -1.155 1.00 61.24 H new ATOM 0 HH2 TRP A 85 14.231 0.824 -3.080 1.00 14.41 H new ATOM 1292 N ASP A 86 13.304 2.209 5.865 1.00 14.22 N ATOM 1293 CA ASP A 86 13.004 1.446 7.089 1.00 21.33 C ATOM 1294 C ASP A 86 11.543 1.000 7.095 1.00 63.23 C ATOM 1295 O ASP A 86 11.253 -0.193 7.216 1.00 33.20 O ATOM 1296 CB ASP A 86 13.324 2.258 8.359 1.00 42.25 C ATOM 1297 CG ASP A 86 14.809 2.208 8.713 1.00 54.41 C ATOM 1298 OD1 ASP A 86 15.621 2.730 7.907 1.00 31.12 O ATOM 1299 OD2 ASP A 86 15.178 1.625 9.756 1.00 13.24 O ATOM 0 H ASP A 86 13.583 3.176 6.033 1.00 14.22 H new ATOM 0 HA ASP A 86 13.643 0.563 7.092 1.00 21.33 H new ATOM 0 HB2 ASP A 86 13.021 3.295 8.212 1.00 42.25 H new ATOM 0 HB3 ASP A 86 12.739 1.871 9.193 1.00 42.25 H new ATOM 1304 N TYR A 87 10.637 1.964 6.922 1.00 2.31 N ATOM 1305 CA TYR A 87 9.192 1.775 6.884 1.00 60.13 C ATOM 1306 C TYR A 87 8.783 0.819 5.746 1.00 22.22 C ATOM 1307 O TYR A 87 7.842 0.048 5.915 1.00 23.23 O ATOM 1308 CB TYR A 87 8.549 3.171 6.804 1.00 13.31 C ATOM 1309 CG TYR A 87 7.031 3.223 6.728 1.00 62.44 C ATOM 1310 CD1 TYR A 87 6.254 2.526 7.668 1.00 22.04 C ATOM 1311 CD2 TYR A 87 6.387 3.977 5.726 1.00 74.01 C ATOM 1312 CE1 TYR A 87 4.854 2.565 7.588 1.00 61.03 C ATOM 1313 CE2 TYR A 87 4.991 3.951 5.583 1.00 40.43 C ATOM 1314 CZ TYR A 87 4.212 3.264 6.538 1.00 51.33 C ATOM 1315 OH TYR A 87 2.858 3.224 6.412 1.00 2.33 O ATOM 0 H TYR A 87 10.906 2.940 6.799 1.00 2.31 H new ATOM 0 HA TYR A 87 8.828 1.283 7.786 1.00 60.13 H new ATOM 0 HB2 TYR A 87 8.865 3.741 7.677 1.00 13.31 H new ATOM 0 HB3 TYR A 87 8.951 3.680 5.928 1.00 13.31 H new ATOM 0 HD1 TYR A 87 6.734 1.960 8.452 1.00 22.04 H new ATOM 0 HD2 TYR A 87 6.978 4.585 5.057 1.00 74.01 H new ATOM 0 HE1 TYR A 87 4.261 2.057 8.334 1.00 61.03 H new ATOM 0 HE2 TYR A 87 4.518 4.451 4.751 1.00 40.43 H new ATOM 0 HH TYR A 87 2.612 3.364 5.474 1.00 2.33 H new ATOM 1325 N LEU A 88 9.518 0.759 4.627 1.00 31.40 N ATOM 1326 CA LEU A 88 9.187 -0.148 3.524 1.00 40.12 C ATOM 1327 C LEU A 88 9.360 -1.615 3.907 1.00 55.31 C ATOM 1328 O LEU A 88 8.515 -2.440 3.548 1.00 71.44 O ATOM 1329 CB LEU A 88 10.053 0.119 2.287 1.00 44.34 C ATOM 1330 CG LEU A 88 9.611 1.288 1.404 1.00 20.31 C ATOM 1331 CD1 LEU A 88 10.678 1.481 0.335 1.00 63.21 C ATOM 1332 CD2 LEU A 88 8.220 1.097 0.786 1.00 2.10 C ATOM 0 H LEU A 88 10.347 1.330 4.464 1.00 31.40 H new ATOM 0 HA LEU A 88 8.139 0.047 3.296 1.00 40.12 H new ATOM 0 HB2 LEU A 88 11.076 0.303 2.616 1.00 44.34 H new ATOM 0 HB3 LEU A 88 10.072 -0.785 1.678 1.00 44.34 H new ATOM 0 HG LEU A 88 9.514 2.180 2.022 1.00 20.31 H new ATOM 0 HD11 LEU A 88 10.396 2.309 -0.315 1.00 63.21 H new ATOM 0 HD12 LEU A 88 11.634 1.702 0.810 1.00 63.21 H new ATOM 0 HD13 LEU A 88 10.770 0.570 -0.256 1.00 63.21 H new ATOM 0 HD21 LEU A 88 7.972 1.964 0.173 1.00 2.10 H new ATOM 0 HD22 LEU A 88 8.217 0.201 0.165 1.00 2.10 H new ATOM 0 HD23 LEU A 88 7.481 0.991 1.580 1.00 2.10 H new ATOM 1344 N TYR A 89 10.464 -1.968 4.567 1.00 35.34 N ATOM 1345 CA TYR A 89 10.694 -3.347 4.994 1.00 61.11 C ATOM 1346 C TYR A 89 9.842 -3.659 6.215 1.00 40.21 C ATOM 1347 O TYR A 89 9.349 -4.778 6.318 1.00 24.21 O ATOM 1348 CB TYR A 89 12.185 -3.612 5.255 1.00 32.03 C ATOM 1349 CG TYR A 89 12.901 -4.494 4.242 1.00 11.22 C ATOM 1350 CD1 TYR A 89 12.304 -5.641 3.666 1.00 52.55 C ATOM 1351 CD2 TYR A 89 14.228 -4.184 3.915 1.00 60.34 C ATOM 1352 CE1 TYR A 89 13.018 -6.428 2.750 1.00 20.53 C ATOM 1353 CE2 TYR A 89 14.971 -5.014 3.072 1.00 44.21 C ATOM 1354 CZ TYR A 89 14.379 -6.157 2.507 1.00 13.42 C ATOM 1355 OH TYR A 89 15.137 -6.953 1.717 1.00 4.23 O ATOM 0 H TYR A 89 11.211 -1.319 4.817 1.00 35.34 H new ATOM 0 HA TYR A 89 10.395 -4.017 4.188 1.00 61.11 H new ATOM 0 HB2 TYR A 89 12.701 -2.653 5.298 1.00 32.03 H new ATOM 0 HB3 TYR A 89 12.284 -4.071 6.239 1.00 32.03 H new ATOM 0 HD1 TYR A 89 11.293 -5.912 3.933 1.00 52.55 H new ATOM 0 HD2 TYR A 89 14.682 -3.292 4.320 1.00 60.34 H new ATOM 0 HE1 TYR A 89 12.526 -7.239 2.233 1.00 20.53 H new ATOM 0 HE2 TYR A 89 16.002 -4.777 2.854 1.00 44.21 H new ATOM 0 HH TYR A 89 15.269 -7.819 2.156 1.00 4.23 H new ATOM 1365 N GLU A 90 9.605 -2.681 7.087 1.00 2.13 N ATOM 1366 CA GLU A 90 8.688 -2.820 8.204 1.00 63.11 C ATOM 1367 C GLU A 90 7.323 -3.246 7.653 1.00 40.23 C ATOM 1368 O GLU A 90 6.821 -4.318 7.969 1.00 1.43 O ATOM 1369 CB GLU A 90 8.653 -1.492 8.964 1.00 62.21 C ATOM 1370 CG GLU A 90 7.960 -1.633 10.315 1.00 70.05 C ATOM 1371 CD GLU A 90 7.874 -0.275 10.992 1.00 43.22 C ATOM 1372 OE1 GLU A 90 6.892 0.470 10.760 1.00 63.15 O ATOM 1373 OE2 GLU A 90 8.799 0.089 11.755 1.00 50.12 O ATOM 0 H GLU A 90 10.050 -1.765 7.033 1.00 2.13 H new ATOM 0 HA GLU A 90 9.004 -3.587 8.911 1.00 63.11 H new ATOM 0 HB2 GLU A 90 9.671 -1.131 9.113 1.00 62.21 H new ATOM 0 HB3 GLU A 90 8.134 -0.744 8.365 1.00 62.21 H new ATOM 0 HG2 GLU A 90 6.961 -2.047 10.180 1.00 70.05 H new ATOM 0 HG3 GLU A 90 8.511 -2.330 10.946 1.00 70.05 H new ATOM 1380 N LEU A 91 6.764 -2.477 6.718 1.00 20.42 N ATOM 1381 CA LEU A 91 5.518 -2.817 6.045 1.00 75.11 C ATOM 1382 C LEU A 91 5.606 -4.183 5.350 1.00 53.51 C ATOM 1383 O LEU A 91 4.618 -4.914 5.384 1.00 53.11 O ATOM 1384 CB LEU A 91 5.172 -1.713 5.028 1.00 22.44 C ATOM 1385 CG LEU A 91 4.692 -0.376 5.630 1.00 74.05 C ATOM 1386 CD1 LEU A 91 4.672 0.719 4.552 1.00 63.14 C ATOM 1387 CD2 LEU A 91 3.295 -0.507 6.235 1.00 63.24 C ATOM 0 H LEU A 91 7.169 -1.594 6.407 1.00 20.42 H new ATOM 0 HA LEU A 91 4.728 -2.886 6.792 1.00 75.11 H new ATOM 0 HB2 LEU A 91 6.053 -1.519 4.416 1.00 22.44 H new ATOM 0 HB3 LEU A 91 4.397 -2.089 4.361 1.00 22.44 H new ATOM 0 HG LEU A 91 5.392 -0.104 6.420 1.00 74.05 H new ATOM 0 HD11 LEU A 91 4.331 1.656 4.992 1.00 63.14 H new ATOM 0 HD12 LEU A 91 5.676 0.851 4.149 1.00 63.14 H new ATOM 0 HD13 LEU A 91 3.994 0.427 3.750 1.00 63.14 H new ATOM 0 HD21 LEU A 91 2.987 0.453 6.650 1.00 63.24 H new ATOM 0 HD22 LEU A 91 2.590 -0.810 5.461 1.00 63.24 H new ATOM 0 HD23 LEU A 91 3.310 -1.257 7.026 1.00 63.24 H new ATOM 1399 N ALA A 92 6.759 -4.572 4.775 1.00 75.13 N ATOM 1400 CA ALA A 92 6.953 -5.923 4.232 1.00 41.22 C ATOM 1401 C ALA A 92 6.592 -6.978 5.268 1.00 41.51 C ATOM 1402 O ALA A 92 5.742 -7.828 5.021 1.00 35.31 O ATOM 1403 CB ALA A 92 8.341 -6.170 3.615 1.00 42.11 C ATOM 0 H ALA A 92 7.572 -3.964 4.676 1.00 75.13 H new ATOM 0 HA ALA A 92 6.264 -6.008 3.392 1.00 41.22 H new ATOM 0 HB1 ALA A 92 8.396 -7.192 3.240 1.00 42.11 H new ATOM 0 HB2 ALA A 92 8.503 -5.472 2.793 1.00 42.11 H new ATOM 0 HB3 ALA A 92 9.109 -6.021 4.374 1.00 42.11 H new ATOM 1409 N THR A 93 7.219 -6.907 6.435 1.00 40.54 N ATOM 1410 CA THR A 93 7.071 -7.907 7.490 1.00 41.44 C ATOM 1411 C THR A 93 5.805 -7.683 8.337 1.00 0.10 C ATOM 1412 O THR A 93 5.622 -8.334 9.372 1.00 20.10 O ATOM 1413 CB THR A 93 8.402 -7.972 8.257 1.00 1.13 C ATOM 1414 OG1 THR A 93 8.569 -9.188 8.962 1.00 52.21 O ATOM 1415 CG2 THR A 93 8.649 -6.761 9.132 1.00 4.50 C ATOM 0 H THR A 93 7.852 -6.146 6.681 1.00 40.54 H new ATOM 0 HA THR A 93 6.889 -8.900 7.078 1.00 41.44 H new ATOM 0 HB THR A 93 9.178 -7.949 7.491 1.00 1.13 H new ATOM 0 HG1 THR A 93 7.719 -9.445 9.376 1.00 52.21 H new ATOM 0 HG21 THR A 93 9.605 -6.871 9.645 1.00 4.50 H new ATOM 0 HG22 THR A 93 8.670 -5.864 8.514 1.00 4.50 H new ATOM 0 HG23 THR A 93 7.850 -6.675 9.868 1.00 4.50 H new ATOM 1423 N ARG A 94 4.915 -6.768 7.926 1.00 23.04 N ATOM 1424 CA ARG A 94 3.736 -6.364 8.694 1.00 14.34 C ATOM 1425 C ARG A 94 2.456 -6.326 7.885 1.00 71.33 C ATOM 1426 O ARG A 94 1.385 -6.218 8.482 1.00 41.53 O ATOM 1427 CB ARG A 94 4.005 -4.981 9.306 1.00 54.44 C ATOM 1428 CG ARG A 94 5.151 -4.945 10.326 1.00 14.34 C ATOM 1429 CD ARG A 94 4.677 -5.440 11.691 1.00 4.23 C ATOM 1430 NE ARG A 94 4.575 -6.910 11.698 1.00 52.32 N ATOM 1431 CZ ARG A 94 3.859 -7.672 12.526 1.00 21.22 C ATOM 1432 NH1 ARG A 94 3.133 -7.122 13.492 1.00 23.22 N ATOM 1433 NH2 ARG A 94 3.872 -8.988 12.361 1.00 55.12 N ATOM 0 H ARG A 94 4.999 -6.281 7.034 1.00 23.04 H new ATOM 0 HA ARG A 94 3.578 -7.120 9.463 1.00 14.34 H new ATOM 0 HB2 ARG A 94 4.230 -4.280 8.502 1.00 54.44 H new ATOM 0 HB3 ARG A 94 3.094 -4.629 9.790 1.00 54.44 H new ATOM 0 HG2 ARG A 94 5.976 -5.565 9.975 1.00 14.34 H new ATOM 0 HG3 ARG A 94 5.533 -3.928 10.415 1.00 14.34 H new ATOM 0 HD2 ARG A 94 5.372 -5.114 12.465 1.00 4.23 H new ATOM 0 HD3 ARG A 94 3.708 -5.001 11.928 1.00 4.23 H new ATOM 0 HE ARG A 94 5.115 -7.402 10.986 1.00 52.32 H new ATOM 0 HH11 ARG A 94 3.120 -6.108 13.606 1.00 23.22 H new ATOM 0 HH12 ARG A 94 2.589 -7.713 14.120 1.00 23.22 H new ATOM 0 HH21 ARG A 94 4.424 -9.402 11.610 1.00 55.12 H new ATOM 0 HH22 ARG A 94 3.330 -9.586 12.985 1.00 55.12 H new ATOM 1447 N LYS A 95 2.528 -6.438 6.557 1.00 52.13 N ATOM 1448 CA LYS A 95 1.369 -6.322 5.682 1.00 1.32 C ATOM 1449 C LYS A 95 0.222 -7.168 6.149 1.00 4.21 C ATOM 1450 O LYS A 95 -0.891 -6.679 6.178 1.00 40.42 O ATOM 1451 CB LYS A 95 1.764 -6.674 4.253 1.00 51.25 C ATOM 1452 CG LYS A 95 0.616 -6.798 3.226 1.00 35.24 C ATOM 1453 CD LYS A 95 0.130 -8.232 2.941 1.00 61.45 C ATOM 1454 CE LYS A 95 -1.237 -8.602 3.528 1.00 24.41 C ATOM 1455 NZ LYS A 95 -2.355 -8.507 2.572 1.00 61.01 N ATOM 0 H LYS A 95 3.401 -6.613 6.059 1.00 52.13 H new ATOM 0 HA LYS A 95 1.026 -5.288 5.712 1.00 1.32 H new ATOM 0 HB2 LYS A 95 2.460 -5.915 3.896 1.00 51.25 H new ATOM 0 HB3 LYS A 95 2.306 -7.619 4.273 1.00 51.25 H new ATOM 0 HG2 LYS A 95 -0.231 -6.211 3.581 1.00 35.24 H new ATOM 0 HG3 LYS A 95 0.943 -6.351 2.287 1.00 35.24 H new ATOM 0 HD2 LYS A 95 0.091 -8.374 1.861 1.00 61.45 H new ATOM 0 HD3 LYS A 95 0.872 -8.931 3.328 1.00 61.45 H new ATOM 0 HE2 LYS A 95 -1.190 -9.620 3.913 1.00 24.41 H new ATOM 0 HE3 LYS A 95 -1.444 -7.949 4.376 1.00 24.41 H new ATOM 0 HZ1 LYS A 95 -3.165 -8.043 3.030 1.00 61.01 H new ATOM 0 HZ2 LYS A 95 -2.059 -7.950 1.745 1.00 61.01 H new ATOM 0 HZ3 LYS A 95 -2.631 -9.461 2.265 1.00 61.01 H new ATOM 1469 N ASP A 96 0.454 -8.437 6.429 1.00 31.31 N ATOM 1470 CA ASP A 96 -0.645 -9.350 6.726 1.00 23.21 C ATOM 1471 C ASP A 96 -1.407 -8.970 8.002 1.00 55.51 C ATOM 1472 O ASP A 96 -2.629 -9.106 8.040 1.00 63.22 O ATOM 1473 CB ASP A 96 -0.119 -10.785 6.713 1.00 14.41 C ATOM 1474 CG ASP A 96 -1.160 -11.788 6.214 1.00 74.22 C ATOM 1475 OD1 ASP A 96 -1.895 -11.477 5.241 1.00 12.42 O ATOM 1476 OD2 ASP A 96 -1.129 -12.934 6.711 1.00 41.54 O ATOM 0 H ASP A 96 1.382 -8.860 6.458 1.00 31.31 H new ATOM 0 HA ASP A 96 -1.401 -9.267 5.945 1.00 23.21 H new ATOM 0 HB2 ASP A 96 0.765 -10.838 6.078 1.00 14.41 H new ATOM 0 HB3 ASP A 96 0.194 -11.062 7.719 1.00 14.41 H new ATOM 1481 N GLN A 97 -0.727 -8.403 9.000 1.00 41.42 N ATOM 1482 CA GLN A 97 -1.339 -7.846 10.206 1.00 62.44 C ATOM 1483 C GLN A 97 -2.111 -6.559 9.864 1.00 14.24 C ATOM 1484 O GLN A 97 -3.304 -6.439 10.145 1.00 32.44 O ATOM 1485 CB GLN A 97 -0.213 -7.633 11.242 1.00 22.01 C ATOM 1486 CG GLN A 97 -0.663 -7.087 12.604 1.00 54.23 C ATOM 1487 CD GLN A 97 -1.710 -7.971 13.275 1.00 35.32 C ATOM 1488 OE1 GLN A 97 -1.498 -9.156 13.526 1.00 63.45 O ATOM 1489 NE2 GLN A 97 -2.888 -7.431 13.518 1.00 12.31 N ATOM 0 H GLN A 97 0.289 -8.317 8.991 1.00 41.42 H new ATOM 0 HA GLN A 97 -2.077 -8.524 10.636 1.00 62.44 H new ATOM 0 HB2 GLN A 97 0.295 -8.584 11.401 1.00 22.01 H new ATOM 0 HB3 GLN A 97 0.521 -6.947 10.819 1.00 22.01 H new ATOM 0 HG2 GLN A 97 0.204 -6.996 13.259 1.00 54.23 H new ATOM 0 HG3 GLN A 97 -1.070 -6.084 12.473 1.00 54.23 H new ATOM 0 HE21 GLN A 97 -3.052 -6.447 13.305 1.00 12.31 H new ATOM 0 HE22 GLN A 97 -3.636 -7.997 13.919 1.00 12.31 H new ATOM 1498 N LEU A 98 -1.435 -5.601 9.228 1.00 22.12 N ATOM 1499 CA LEU A 98 -1.957 -4.282 8.869 1.00 20.33 C ATOM 1500 C LEU A 98 -3.095 -4.358 7.862 1.00 62.01 C ATOM 1501 O LEU A 98 -3.960 -3.495 7.819 1.00 11.44 O ATOM 1502 CB LEU A 98 -0.817 -3.486 8.225 1.00 1.20 C ATOM 1503 CG LEU A 98 0.068 -2.676 9.178 1.00 2.11 C ATOM 1504 CD1 LEU A 98 0.310 -3.302 10.546 1.00 64.45 C ATOM 1505 CD2 LEU A 98 1.426 -2.450 8.514 1.00 31.10 C ATOM 0 H LEU A 98 -0.466 -5.729 8.936 1.00 22.12 H new ATOM 0 HA LEU A 98 -2.339 -3.814 9.776 1.00 20.33 H new ATOM 0 HB2 LEU A 98 -0.182 -4.181 7.676 1.00 1.20 H new ATOM 0 HB3 LEU A 98 -1.248 -2.802 7.494 1.00 1.20 H new ATOM 0 HG LEU A 98 -0.480 -1.752 9.363 1.00 2.11 H new ATOM 0 HD11 LEU A 98 0.948 -2.646 11.139 1.00 64.45 H new ATOM 0 HD12 LEU A 98 -0.643 -3.440 11.057 1.00 64.45 H new ATOM 0 HD13 LEU A 98 0.799 -4.269 10.423 1.00 64.45 H new ATOM 0 HD21 LEU A 98 2.066 -1.874 9.182 1.00 31.10 H new ATOM 0 HD22 LEU A 98 1.893 -3.412 8.304 1.00 31.10 H new ATOM 0 HD23 LEU A 98 1.289 -1.902 7.582 1.00 31.10 H new ATOM 1517 N TRP A 99 -3.079 -5.351 6.989 1.00 41.45 N ATOM 1518 CA TRP A 99 -4.093 -5.529 5.970 1.00 62.34 C ATOM 1519 C TRP A 99 -5.373 -6.041 6.596 1.00 75.22 C ATOM 1520 O TRP A 99 -6.437 -5.546 6.254 1.00 54.55 O ATOM 1521 CB TRP A 99 -3.613 -6.471 4.870 1.00 2.31 C ATOM 1522 CG TRP A 99 -4.581 -6.620 3.746 1.00 72.22 C ATOM 1523 CD1 TRP A 99 -5.242 -7.751 3.407 1.00 20.02 C ATOM 1524 CD2 TRP A 99 -5.128 -5.565 2.898 1.00 35.34 C ATOM 1525 NE1 TRP A 99 -6.069 -7.489 2.334 1.00 31.04 N ATOM 1526 CE2 TRP A 99 -6.088 -6.149 2.024 1.00 2.11 C ATOM 1527 CE3 TRP A 99 -4.949 -4.167 2.811 1.00 23.22 C ATOM 1528 CZ2 TRP A 99 -6.843 -5.391 1.124 1.00 41.43 C ATOM 1529 CZ3 TRP A 99 -5.696 -3.392 1.908 1.00 34.12 C ATOM 1530 CH2 TRP A 99 -6.645 -4.005 1.074 1.00 23.22 C ATOM 0 H TRP A 99 -2.350 -6.065 6.970 1.00 41.45 H new ATOM 0 HA TRP A 99 -4.290 -4.561 5.510 1.00 62.34 H new ATOM 0 HB2 TRP A 99 -2.666 -6.103 4.476 1.00 2.31 H new ATOM 0 HB3 TRP A 99 -3.418 -7.452 5.303 1.00 2.31 H new ATOM 0 HD1 TRP A 99 -5.139 -8.707 3.898 1.00 20.02 H new ATOM 0 HE1 TRP A 99 -6.600 -8.201 1.833 1.00 31.04 H new ATOM 0 HE3 TRP A 99 -4.225 -3.685 3.450 1.00 23.22 H new ATOM 0 HZ2 TRP A 99 -7.567 -5.866 0.478 1.00 41.43 H new ATOM 0 HZ3 TRP A 99 -5.540 -2.325 1.855 1.00 34.12 H new ATOM 0 HH2 TRP A 99 -7.226 -3.404 0.390 1.00 23.22 H new ATOM 1541 N ALA A 100 -5.288 -6.977 7.541 1.00 13.11 N ATOM 1542 CA ALA A 100 -6.449 -7.400 8.310 1.00 1.42 C ATOM 1543 C ALA A 100 -7.043 -6.236 9.123 1.00 24.33 C ATOM 1544 O ALA A 100 -8.232 -6.251 9.456 1.00 62.25 O ATOM 1545 CB ALA A 100 -6.032 -8.580 9.185 1.00 62.45 C ATOM 0 H ALA A 100 -4.422 -7.456 7.790 1.00 13.11 H new ATOM 0 HA ALA A 100 -7.248 -7.720 7.641 1.00 1.42 H new ATOM 0 HB1 ALA A 100 -6.886 -8.917 9.773 1.00 62.45 H new ATOM 0 HB2 ALA A 100 -5.682 -9.396 8.553 1.00 62.45 H new ATOM 0 HB3 ALA A 100 -5.230 -8.271 9.855 1.00 62.45 H new ATOM 1551 N ASP A 101 -6.238 -5.210 9.408 1.00 71.05 N ATOM 1552 CA ASP A 101 -6.678 -3.952 10.000 1.00 34.23 C ATOM 1553 C ASP A 101 -7.342 -3.047 8.952 1.00 0.12 C ATOM 1554 O ASP A 101 -8.492 -2.656 9.113 1.00 2.10 O ATOM 1555 CB ASP A 101 -5.497 -3.284 10.704 1.00 63.22 C ATOM 1556 CG ASP A 101 -6.005 -2.272 11.712 1.00 31.41 C ATOM 1557 OD1 ASP A 101 -6.423 -2.703 12.810 1.00 30.11 O ATOM 1558 OD2 ASP A 101 -5.948 -1.060 11.428 1.00 61.41 O ATOM 0 H ASP A 101 -5.235 -5.236 9.227 1.00 71.05 H new ATOM 0 HA ASP A 101 -7.445 -4.147 10.750 1.00 34.23 H new ATOM 0 HB2 ASP A 101 -4.888 -4.036 11.206 1.00 63.22 H new ATOM 0 HB3 ASP A 101 -4.857 -2.792 9.972 1.00 63.22 H new ATOM 1563 N TYR A 102 -6.693 -2.781 7.815 1.00 35.21 N ATOM 1564 CA TYR A 102 -7.275 -1.972 6.739 1.00 24.10 C ATOM 1565 C TYR A 102 -8.512 -2.603 6.077 1.00 62.45 C ATOM 1566 O TYR A 102 -9.326 -1.892 5.476 1.00 20.00 O ATOM 1567 CB TYR A 102 -6.206 -1.654 5.680 1.00 63.04 C ATOM 1568 CG TYR A 102 -5.632 -0.256 5.812 1.00 72.41 C ATOM 1569 CD1 TYR A 102 -6.490 0.856 5.698 1.00 41.34 C ATOM 1570 CD2 TYR A 102 -4.266 -0.065 6.096 1.00 53.33 C ATOM 1571 CE1 TYR A 102 -5.988 2.157 5.873 1.00 53.11 C ATOM 1572 CE2 TYR A 102 -3.761 1.236 6.278 1.00 41.14 C ATOM 1573 CZ TYR A 102 -4.623 2.351 6.178 1.00 23.42 C ATOM 1574 OH TYR A 102 -4.154 3.604 6.423 1.00 74.24 O ATOM 0 H TYR A 102 -5.752 -3.119 7.614 1.00 35.21 H new ATOM 0 HA TYR A 102 -7.625 -1.053 7.208 1.00 24.10 H new ATOM 0 HB2 TYR A 102 -5.398 -2.381 5.759 1.00 63.04 H new ATOM 0 HB3 TYR A 102 -6.642 -1.769 4.687 1.00 63.04 H new ATOM 0 HD1 TYR A 102 -7.536 0.708 5.475 1.00 41.34 H new ATOM 0 HD2 TYR A 102 -3.606 -0.916 6.174 1.00 53.33 H new ATOM 0 HE1 TYR A 102 -6.646 3.008 5.774 1.00 53.11 H new ATOM 0 HE2 TYR A 102 -2.713 1.382 6.494 1.00 41.14 H new ATOM 0 HH TYR A 102 -3.194 3.562 6.617 1.00 74.24 H new ATOM 1584 N LEU A 103 -8.656 -3.928 6.116 1.00 24.04 N ATOM 1585 CA LEU A 103 -9.874 -4.641 5.770 1.00 20.34 C ATOM 1586 C LEU A 103 -10.948 -4.396 6.811 1.00 72.34 C ATOM 1587 O LEU A 103 -12.111 -4.268 6.435 1.00 2.34 O ATOM 1588 CB LEU A 103 -9.616 -6.153 5.736 1.00 11.51 C ATOM 1589 CG LEU A 103 -8.908 -6.642 4.462 1.00 3.43 C ATOM 1590 CD1 LEU A 103 -8.544 -8.112 4.665 1.00 21.40 C ATOM 1591 CD2 LEU A 103 -9.774 -6.467 3.213 1.00 61.22 C ATOM 0 H LEU A 103 -7.899 -4.550 6.400 1.00 24.04 H new ATOM 0 HA LEU A 103 -10.196 -4.280 4.793 1.00 20.34 H new ATOM 0 HB2 LEU A 103 -9.013 -6.427 6.602 1.00 11.51 H new ATOM 0 HB3 LEU A 103 -10.568 -6.675 5.833 1.00 11.51 H new ATOM 0 HG LEU A 103 -8.014 -6.041 4.297 1.00 3.43 H new ATOM 0 HD11 LEU A 103 -8.039 -8.488 3.775 1.00 21.40 H new ATOM 0 HD12 LEU A 103 -7.882 -8.207 5.526 1.00 21.40 H new ATOM 0 HD13 LEU A 103 -9.451 -8.691 4.839 1.00 21.40 H new ATOM 0 HD21 LEU A 103 -9.230 -6.827 2.340 1.00 61.22 H new ATOM 0 HD22 LEU A 103 -10.696 -7.037 3.327 1.00 61.22 H new ATOM 0 HD23 LEU A 103 -10.014 -5.412 3.082 1.00 61.22 H new ATOM 1603 N ALA A 104 -10.580 -4.374 8.094 1.00 32.00 N ATOM 1604 CA ALA A 104 -11.526 -4.118 9.164 1.00 20.03 C ATOM 1605 C ALA A 104 -12.145 -2.744 8.983 1.00 3.21 C ATOM 1606 O ALA A 104 -13.363 -2.641 8.993 1.00 73.31 O ATOM 1607 CB ALA A 104 -10.872 -4.255 10.534 1.00 20.33 C ATOM 0 H ALA A 104 -9.624 -4.533 8.411 1.00 32.00 H new ATOM 0 HA ALA A 104 -12.316 -4.868 9.115 1.00 20.03 H new ATOM 0 HB1 ALA A 104 -11.610 -4.056 11.311 1.00 20.33 H new ATOM 0 HB2 ALA A 104 -10.484 -5.267 10.652 1.00 20.33 H new ATOM 0 HB3 ALA A 104 -10.054 -3.540 10.620 1.00 20.33 H new ATOM 1613 N GLU A 105 -11.334 -1.722 8.712 1.00 32.32 N ATOM 1614 CA GLU A 105 -11.817 -0.398 8.365 1.00 13.50 C ATOM 1615 C GLU A 105 -12.798 -0.455 7.194 1.00 23.01 C ATOM 1616 O GLU A 105 -13.929 0.000 7.304 1.00 12.50 O ATOM 1617 CB GLU A 105 -10.620 0.504 8.059 1.00 61.13 C ATOM 1618 CG GLU A 105 -10.203 1.279 9.309 1.00 30.30 C ATOM 1619 CD GLU A 105 -11.046 2.542 9.527 1.00 72.04 C ATOM 1620 OE1 GLU A 105 -12.290 2.449 9.417 1.00 24.04 O ATOM 1621 OE2 GLU A 105 -10.462 3.613 9.804 1.00 2.43 O ATOM 0 H GLU A 105 -10.317 -1.796 8.729 1.00 32.32 H new ATOM 0 HA GLU A 105 -12.367 0.020 9.209 1.00 13.50 H new ATOM 0 HB2 GLU A 105 -9.785 -0.098 7.701 1.00 61.13 H new ATOM 0 HB3 GLU A 105 -10.876 1.200 7.260 1.00 61.13 H new ATOM 0 HG2 GLU A 105 -10.293 0.631 10.181 1.00 30.30 H new ATOM 0 HG3 GLU A 105 -9.152 1.557 9.226 1.00 30.30 H new ATOM 1628 N LEU A 106 -12.427 -1.088 6.075 1.00 12.13 N ATOM 1629 CA LEU A 106 -13.322 -1.211 4.918 1.00 63.32 C ATOM 1630 C LEU A 106 -14.502 -2.182 5.131 1.00 44.33 C ATOM 1631 O LEU A 106 -15.251 -2.449 4.194 1.00 53.25 O ATOM 1632 CB LEU A 106 -12.516 -1.567 3.645 1.00 22.24 C ATOM 1633 CG LEU A 106 -12.371 -0.428 2.598 1.00 75.42 C ATOM 1634 CD1 LEU A 106 -13.661 0.362 2.410 1.00 34.02 C ATOM 1635 CD2 LEU A 106 -11.266 0.528 3.033 1.00 43.42 C ATOM 0 H LEU A 106 -11.513 -1.523 5.946 1.00 12.13 H new ATOM 0 HA LEU A 106 -13.783 -0.232 4.787 1.00 63.32 H new ATOM 0 HB2 LEU A 106 -11.519 -1.887 3.947 1.00 22.24 H new ATOM 0 HB3 LEU A 106 -12.993 -2.420 3.163 1.00 22.24 H new ATOM 0 HG LEU A 106 -12.126 -0.898 1.645 1.00 75.42 H new ATOM 0 HD11 LEU A 106 -13.503 1.145 1.668 1.00 34.02 H new ATOM 0 HD12 LEU A 106 -14.451 -0.307 2.069 1.00 34.02 H new ATOM 0 HD13 LEU A 106 -13.952 0.814 3.358 1.00 34.02 H new ATOM 0 HD21 LEU A 106 -11.165 1.326 2.298 1.00 43.42 H new ATOM 0 HD22 LEU A 106 -11.517 0.957 4.003 1.00 43.42 H new ATOM 0 HD23 LEU A 106 -10.324 -0.015 3.110 1.00 43.42 H new ATOM 1647 N ALA A 107 -14.648 -2.731 6.331 1.00 11.21 N ATOM 1648 CA ALA A 107 -15.769 -3.529 6.836 1.00 40.12 C ATOM 1649 C ALA A 107 -16.478 -2.888 8.043 1.00 31.03 C ATOM 1650 O ALA A 107 -17.414 -3.467 8.596 1.00 13.32 O ATOM 1651 CB ALA A 107 -15.230 -4.884 7.276 1.00 22.43 C ATOM 0 H ALA A 107 -13.924 -2.622 7.041 1.00 11.21 H new ATOM 0 HA ALA A 107 -16.498 -3.608 6.029 1.00 40.12 H new ATOM 0 HB1 ALA A 107 -16.049 -5.495 7.656 1.00 22.43 H new ATOM 0 HB2 ALA A 107 -14.767 -5.385 6.426 1.00 22.43 H new ATOM 0 HB3 ALA A 107 -14.488 -4.743 8.062 1.00 22.43 H new ATOM 1657 N SER A 108 -16.014 -1.723 8.479 1.00 41.45 N ATOM 1658 CA SER A 108 -16.452 -1.020 9.668 1.00 3.50 C ATOM 1659 C SER A 108 -17.037 0.319 9.238 1.00 42.14 C ATOM 1660 O SER A 108 -18.124 0.692 9.687 1.00 72.25 O ATOM 1661 CB SER A 108 -15.233 -0.875 10.591 1.00 13.24 C ATOM 1662 OG SER A 108 -15.479 -0.074 11.731 1.00 41.53 O ATOM 0 H SER A 108 -15.281 -1.219 7.980 1.00 41.45 H new ATOM 0 HA SER A 108 -17.229 -1.553 10.216 1.00 3.50 H new ATOM 0 HB2 SER A 108 -14.913 -1.865 10.915 1.00 13.24 H new ATOM 0 HB3 SER A 108 -14.408 -0.443 10.025 1.00 13.24 H new ATOM 0 HG SER A 108 -14.666 -0.023 12.277 1.00 41.53 H new ATOM 1668 N ALA A 109 -16.316 1.036 8.375 1.00 35.13 N ATOM 1669 CA ALA A 109 -16.638 2.380 7.922 1.00 43.12 C ATOM 1670 C ALA A 109 -17.812 2.404 6.935 1.00 35.34 C ATOM 1671 O ALA A 109 -18.150 3.476 6.437 1.00 51.15 O ATOM 1672 CB ALA A 109 -15.387 3.013 7.285 1.00 35.13 C ATOM 0 H ALA A 109 -15.457 0.677 7.958 1.00 35.13 H new ATOM 0 HA ALA A 109 -16.951 2.959 8.791 1.00 43.12 H new ATOM 0 HB1 ALA A 109 -15.623 4.021 6.944 1.00 35.13 H new ATOM 0 HB2 ALA A 109 -14.586 3.058 8.023 1.00 35.13 H new ATOM 0 HB3 ALA A 109 -15.065 2.409 6.437 1.00 35.13 H new ATOM 1678 N GLY A 110 -18.397 1.258 6.562 1.00 13.42 N ATOM 1679 CA GLY A 110 -19.542 1.207 5.652 1.00 63.43 C ATOM 1680 C GLY A 110 -19.195 1.587 4.216 1.00 54.35 C ATOM 1681 O GLY A 110 -20.090 1.623 3.369 1.00 63.35 O ATOM 0 H GLY A 110 -18.087 0.341 6.885 1.00 13.42 H new ATOM 0 HA2 GLY A 110 -19.960 0.200 5.662 1.00 63.43 H new ATOM 0 HA3 GLY A 110 -20.318 1.878 6.020 1.00 63.43 H new ATOM 1685 N LYS A 111 -17.931 1.904 3.912 1.00 42.21 N ATOM 1686 CA LYS A 111 -17.503 2.142 2.538 1.00 55.31 C ATOM 1687 C LYS A 111 -17.228 0.779 1.923 1.00 20.42 C ATOM 1688 O LYS A 111 -17.319 -0.237 2.619 1.00 13.21 O ATOM 1689 CB LYS A 111 -16.266 3.049 2.468 1.00 51.44 C ATOM 1690 CG LYS A 111 -16.309 4.247 3.422 1.00 14.20 C ATOM 1691 CD LYS A 111 -17.453 5.211 3.096 1.00 41.23 C ATOM 1692 CE LYS A 111 -17.549 6.272 4.188 1.00 35.01 C ATOM 1693 NZ LYS A 111 -18.524 5.939 5.248 1.00 23.43 N ATOM 0 H LYS A 111 -17.188 2.001 4.605 1.00 42.21 H new ATOM 0 HA LYS A 111 -18.281 2.669 1.986 1.00 55.31 H new ATOM 0 HB2 LYS A 111 -15.380 2.454 2.690 1.00 51.44 H new ATOM 0 HB3 LYS A 111 -16.156 3.416 1.447 1.00 51.44 H new ATOM 0 HG2 LYS A 111 -16.419 3.889 4.446 1.00 14.20 H new ATOM 0 HG3 LYS A 111 -15.361 4.782 3.372 1.00 14.20 H new ATOM 0 HD2 LYS A 111 -17.281 5.683 2.129 1.00 41.23 H new ATOM 0 HD3 LYS A 111 -18.393 4.665 3.021 1.00 41.23 H new ATOM 0 HE2 LYS A 111 -16.566 6.408 4.639 1.00 35.01 H new ATOM 0 HE3 LYS A 111 -17.827 7.224 3.736 1.00 35.01 H new ATOM 0 HZ1 LYS A 111 -18.491 6.666 5.991 1.00 23.43 H new ATOM 0 HZ2 LYS A 111 -19.480 5.903 4.841 1.00 23.43 H new ATOM 0 HZ3 LYS A 111 -18.288 5.013 5.659 1.00 23.43 H new ATOM 1707 N SER A 112 -16.764 0.733 0.684 1.00 2.33 N ATOM 1708 CA SER A 112 -16.231 -0.498 0.141 1.00 52.23 C ATOM 1709 C SER A 112 -14.976 -0.220 -0.643 1.00 14.23 C ATOM 1710 O SER A 112 -14.609 0.914 -0.953 1.00 64.31 O ATOM 1711 CB SER A 112 -17.275 -1.200 -0.712 1.00 52.14 C ATOM 1712 OG SER A 112 -18.352 -1.673 0.065 1.00 34.22 O ATOM 0 H SER A 112 -16.747 1.527 0.044 1.00 2.33 H new ATOM 0 HA SER A 112 -15.973 -1.165 0.963 1.00 52.23 H new ATOM 0 HB2 SER A 112 -17.648 -0.511 -1.470 1.00 52.14 H new ATOM 0 HB3 SER A 112 -16.813 -2.035 -1.239 1.00 52.14 H new ATOM 0 HG SER A 112 -19.195 -1.340 -0.308 1.00 34.22 H new ATOM 1718 N ARG A 113 -14.278 -1.308 -0.931 1.00 44.43 N ATOM 1719 CA ARG A 113 -13.116 -1.253 -1.792 1.00 13.04 C ATOM 1720 C ARG A 113 -13.584 -0.852 -3.181 1.00 63.52 C ATOM 1721 O ARG A 113 -12.821 -0.179 -3.865 1.00 3.34 O ATOM 1722 CB ARG A 113 -12.397 -2.610 -1.782 1.00 4.20 C ATOM 1723 CG ARG A 113 -12.144 -3.124 -0.351 1.00 24.52 C ATOM 1724 CD ARG A 113 -10.696 -3.388 0.065 1.00 15.41 C ATOM 1725 NE ARG A 113 -9.997 -4.315 -0.822 1.00 3.04 N ATOM 1726 CZ ARG A 113 -10.255 -5.620 -0.997 1.00 13.10 C ATOM 1727 NH1 ARG A 113 -11.232 -6.233 -0.332 1.00 22.33 N ATOM 1728 NH2 ARG A 113 -9.518 -6.307 -1.852 1.00 51.04 N ATOM 0 H ARG A 113 -14.500 -2.239 -0.578 1.00 44.43 H new ATOM 0 HA ARG A 113 -12.395 -0.515 -1.441 1.00 13.04 H new ATOM 0 HB2 ARG A 113 -12.995 -3.340 -2.328 1.00 4.20 H new ATOM 0 HB3 ARG A 113 -11.446 -2.519 -2.307 1.00 4.20 H new ATOM 0 HG2 ARG A 113 -12.566 -2.399 0.345 1.00 24.52 H new ATOM 0 HG3 ARG A 113 -12.704 -4.051 -0.224 1.00 24.52 H new ATOM 0 HD2 ARG A 113 -10.155 -2.442 0.089 1.00 15.41 H new ATOM 0 HD3 ARG A 113 -10.684 -3.788 1.079 1.00 15.41 H new ATOM 0 HE ARG A 113 -9.228 -3.927 -1.369 1.00 3.04 H new ATOM 0 HH11 ARG A 113 -11.805 -5.709 0.329 1.00 22.33 H new ATOM 0 HH12 ARG A 113 -11.407 -7.226 -0.484 1.00 22.33 H new ATOM 0 HH21 ARG A 113 -8.768 -5.844 -2.366 1.00 51.04 H new ATOM 0 HH22 ARG A 113 -9.699 -7.300 -1.998 1.00 51.04 H new ATOM 1742 N ASP A 114 -14.783 -1.273 -3.593 1.00 31.20 N ATOM 1743 CA ASP A 114 -15.384 -0.903 -4.876 1.00 55.45 C ATOM 1744 C ASP A 114 -15.375 0.623 -5.024 1.00 34.34 C ATOM 1745 O ASP A 114 -15.635 1.321 -4.034 1.00 54.23 O ATOM 1746 CB ASP A 114 -16.864 -1.308 -4.918 1.00 72.33 C ATOM 1747 CG ASP A 114 -17.273 -2.446 -5.833 1.00 40.22 C ATOM 1748 OD1 ASP A 114 -16.546 -2.794 -6.779 1.00 35.41 O ATOM 1749 OD2 ASP A 114 -18.397 -2.958 -5.620 1.00 73.21 O ATOM 0 H ASP A 114 -15.372 -1.891 -3.035 1.00 31.20 H new ATOM 0 HA ASP A 114 -14.813 -1.402 -5.659 1.00 55.45 H new ATOM 0 HB2 ASP A 114 -17.165 -1.572 -3.904 1.00 72.33 H new ATOM 0 HB3 ASP A 114 -17.441 -0.428 -5.203 1.00 72.33 H new ATOM 1754 N PRO A 115 -15.182 1.141 -6.246 1.00 13.21 N ATOM 1755 CA PRO A 115 -15.325 2.559 -6.533 1.00 62.55 C ATOM 1756 C PRO A 115 -16.786 2.987 -6.504 1.00 34.32 C ATOM 1757 O PRO A 115 -17.106 4.081 -6.031 1.00 62.42 O ATOM 1758 CB PRO A 115 -14.683 2.750 -7.906 1.00 34.21 C ATOM 1759 CG PRO A 115 -14.885 1.406 -8.604 1.00 12.41 C ATOM 1760 CD PRO A 115 -14.895 0.392 -7.461 1.00 44.42 C ATOM 0 HA PRO A 115 -14.841 3.185 -5.783 1.00 62.55 H new ATOM 0 HB2 PRO A 115 -15.158 3.561 -8.458 1.00 34.21 H new ATOM 0 HB3 PRO A 115 -13.625 2.999 -7.820 1.00 34.21 H new ATOM 0 HG2 PRO A 115 -15.819 1.384 -9.165 1.00 12.41 H new ATOM 0 HG3 PRO A 115 -14.083 1.200 -9.313 1.00 12.41 H new ATOM 0 HD2 PRO A 115 -15.650 -0.376 -7.631 1.00 44.42 H new ATOM 0 HD3 PRO A 115 -13.934 -0.117 -7.385 1.00 44.42 H new ATOM 1768 N ASP A 116 -17.679 2.115 -6.956 1.00 31.43 N ATOM 1769 CA ASP A 116 -19.105 2.361 -6.977 1.00 44.01 C ATOM 1770 C ASP A 116 -19.783 1.134 -6.413 1.00 72.55 C ATOM 1771 O ASP A 116 -20.234 0.242 -7.133 1.00 35.44 O ATOM 1772 CB ASP A 116 -19.547 2.739 -8.387 1.00 23.20 C ATOM 1773 CG ASP A 116 -20.986 3.244 -8.380 1.00 35.22 C ATOM 1774 OD1 ASP A 116 -21.286 4.107 -7.520 1.00 53.25 O ATOM 1775 OD2 ASP A 116 -21.779 2.825 -9.251 1.00 62.42 O ATOM 0 H ASP A 116 -17.421 1.200 -7.325 1.00 31.43 H new ATOM 0 HA ASP A 116 -19.391 3.210 -6.356 1.00 44.01 H new ATOM 0 HB2 ASP A 116 -18.887 3.509 -8.787 1.00 23.20 H new ATOM 0 HB3 ASP A 116 -19.462 1.874 -9.045 1.00 23.20 H new ATOM 1780 N GLU A 117 -19.689 1.016 -5.093 1.00 20.11 N ATOM 1781 CA GLU A 117 -20.232 -0.100 -4.358 1.00 71.35 C ATOM 1782 C GLU A 117 -21.752 -0.151 -4.463 1.00 4.22 C ATOM 1783 O GLU A 117 -22.410 0.883 -4.612 1.00 42.13 O ATOM 1784 CB GLU A 117 -19.667 -0.111 -2.951 1.00 71.11 C ATOM 1785 CG GLU A 117 -20.385 0.820 -1.994 1.00 60.24 C ATOM 1786 CD GLU A 117 -21.591 0.208 -1.272 1.00 62.22 C ATOM 1787 OE1 GLU A 117 -21.470 -0.922 -0.738 1.00 31.51 O ATOM 1788 OE2 GLU A 117 -22.649 0.872 -1.230 1.00 53.41 O ATOM 0 H GLU A 117 -19.225 1.707 -4.503 1.00 20.11 H new ATOM 0 HA GLU A 117 -19.914 -1.041 -4.807 1.00 71.35 H new ATOM 0 HB2 GLU A 117 -19.715 -1.127 -2.559 1.00 71.11 H new ATOM 0 HB3 GLU A 117 -18.614 0.166 -2.991 1.00 71.11 H new ATOM 0 HG2 GLU A 117 -19.672 1.168 -1.246 1.00 60.24 H new ATOM 0 HG3 GLU A 117 -20.720 1.697 -2.548 1.00 60.24 H new ATOM 1795 N SER A 118 -22.284 -1.364 -4.368 1.00 51.45 N ATOM 1796 CA SER A 118 -23.697 -1.651 -4.452 1.00 41.35 C ATOM 1797 C SER A 118 -23.946 -2.881 -3.611 1.00 13.00 C ATOM 1798 O SER A 118 -23.853 -4.018 -4.082 1.00 33.52 O ATOM 1799 CB SER A 118 -24.110 -1.907 -5.889 1.00 63.41 C ATOM 1800 OG SER A 118 -23.944 -0.737 -6.659 1.00 0.22 O ATOM 0 H SER A 118 -21.716 -2.199 -4.225 1.00 51.45 H new ATOM 0 HA SER A 118 -24.282 -0.804 -4.093 1.00 41.35 H new ATOM 0 HB2 SER A 118 -23.511 -2.715 -6.309 1.00 63.41 H new ATOM 0 HB3 SER A 118 -25.151 -2.230 -5.924 1.00 63.41 H new ATOM 0 HG SER A 118 -23.738 -0.982 -7.585 1.00 0.22 H new ATOM 1806 N VAL A 119 -24.195 -2.663 -2.334 1.00 54.31 N ATOM 1807 CA VAL A 119 -24.622 -3.711 -1.433 1.00 11.12 C ATOM 1808 C VAL A 119 -26.130 -3.899 -1.622 1.00 1.40 C ATOM 1809 O VAL A 119 -26.948 -3.280 -0.939 1.00 43.43 O ATOM 1810 CB VAL A 119 -24.134 -3.401 -0.012 1.00 0.44 C ATOM 1811 CG1 VAL A 119 -24.458 -1.973 0.438 1.00 62.04 C ATOM 1812 CG2 VAL A 119 -24.648 -4.452 0.968 1.00 43.22 C ATOM 0 H VAL A 119 -24.106 -1.748 -1.892 1.00 54.31 H new ATOM 0 HA VAL A 119 -24.174 -4.681 -1.650 1.00 11.12 H new ATOM 0 HB VAL A 119 -23.045 -3.453 -0.024 1.00 0.44 H new ATOM 0 HG11 VAL A 119 -24.087 -1.818 1.451 1.00 62.04 H new ATOM 0 HG12 VAL A 119 -23.981 -1.262 -0.236 1.00 62.04 H new ATOM 0 HG13 VAL A 119 -25.537 -1.822 0.420 1.00 62.04 H new ATOM 0 HG21 VAL A 119 -24.293 -4.218 1.972 1.00 43.22 H new ATOM 0 HG22 VAL A 119 -25.738 -4.455 0.960 1.00 43.22 H new ATOM 0 HG23 VAL A 119 -24.280 -5.435 0.673 1.00 43.22 H new ATOM 1822 N VAL A 120 -26.483 -4.715 -2.612 1.00 21.22 N ATOM 1823 CA VAL A 120 -27.840 -5.122 -2.949 1.00 63.23 C ATOM 1824 C VAL A 120 -28.787 -3.917 -2.971 1.00 54.32 C ATOM 1825 O VAL A 120 -29.591 -3.692 -2.058 1.00 53.44 O ATOM 1826 CB VAL A 120 -28.303 -6.307 -2.077 1.00 1.41 C ATOM 1827 CG1 VAL A 120 -29.626 -6.905 -2.586 1.00 22.23 C ATOM 1828 CG2 VAL A 120 -27.245 -7.425 -2.069 1.00 42.11 C ATOM 0 H VAL A 120 -25.790 -5.132 -3.233 1.00 21.22 H new ATOM 0 HA VAL A 120 -27.858 -5.509 -3.968 1.00 63.23 H new ATOM 0 HB VAL A 120 -28.447 -5.915 -1.070 1.00 1.41 H new ATOM 0 HG11 VAL A 120 -29.919 -7.737 -1.946 1.00 22.23 H new ATOM 0 HG12 VAL A 120 -30.403 -6.140 -2.566 1.00 22.23 H new ATOM 0 HG13 VAL A 120 -29.495 -7.262 -3.608 1.00 22.23 H new ATOM 0 HG21 VAL A 120 -27.593 -8.250 -1.448 1.00 42.11 H new ATOM 0 HG22 VAL A 120 -27.083 -7.780 -3.087 1.00 42.11 H new ATOM 0 HG23 VAL A 120 -26.309 -7.037 -1.667 1.00 42.11 H new ATOM 1838 N LYS A 121 -28.691 -3.160 -4.075 1.00 41.42 N ATOM 1839 CA LYS A 121 -29.643 -2.112 -4.457 1.00 4.22 C ATOM 1840 C LYS A 121 -31.073 -2.609 -4.248 1.00 24.23 C ATOM 1841 O LYS A 121 -31.366 -3.777 -4.522 1.00 32.50 O ATOM 1842 CB LYS A 121 -29.498 -1.758 -5.957 1.00 0.11 C ATOM 1843 CG LYS A 121 -28.164 -1.102 -6.334 1.00 41.35 C ATOM 1844 CD LYS A 121 -28.027 -0.857 -7.846 1.00 52.43 C ATOM 1845 CE LYS A 121 -26.649 -0.236 -8.100 1.00 51.22 C ATOM 1846 NZ LYS A 121 -26.390 0.132 -9.507 1.00 21.30 N ATOM 0 H LYS A 121 -27.927 -3.265 -4.743 1.00 41.42 H new ATOM 0 HA LYS A 121 -29.435 -1.237 -3.841 1.00 4.22 H new ATOM 0 HB2 LYS A 121 -29.619 -2.668 -6.545 1.00 0.11 H new ATOM 0 HB3 LYS A 121 -30.310 -1.087 -6.238 1.00 0.11 H new ATOM 0 HG2 LYS A 121 -28.069 -0.153 -5.807 1.00 41.35 H new ATOM 0 HG3 LYS A 121 -27.344 -1.737 -5.998 1.00 41.35 H new ATOM 0 HD2 LYS A 121 -28.131 -1.793 -8.395 1.00 52.43 H new ATOM 0 HD3 LYS A 121 -28.816 -0.192 -8.198 1.00 52.43 H new ATOM 0 HE2 LYS A 121 -26.547 0.655 -7.480 1.00 51.22 H new ATOM 0 HE3 LYS A 121 -25.883 -0.940 -7.775 1.00 51.22 H new ATOM 0 HZ1 LYS A 121 -25.438 0.544 -9.589 1.00 21.30 H new ATOM 0 HZ2 LYS A 121 -26.453 -0.717 -10.105 1.00 21.30 H new ATOM 0 HZ3 LYS A 121 -27.096 0.829 -9.819 1.00 21.30 H new ATOM 1860 N LEU A 122 -31.952 -1.715 -3.788 1.00 3.14 N ATOM 1861 CA LEU A 122 -33.389 -1.966 -3.790 1.00 24.51 C ATOM 1862 C LEU A 122 -33.839 -2.278 -5.217 1.00 23.23 C ATOM 1863 O LEU A 122 -33.194 -1.878 -6.189 1.00 62.51 O ATOM 1864 CB LEU A 122 -34.160 -0.766 -3.213 1.00 13.44 C ATOM 1865 CG LEU A 122 -34.206 -0.757 -1.672 1.00 43.14 C ATOM 1866 CD1 LEU A 122 -34.635 0.625 -1.165 1.00 42.45 C ATOM 1867 CD2 LEU A 122 -35.185 -1.806 -1.126 1.00 72.15 C ATOM 0 H LEU A 122 -31.688 -0.806 -3.408 1.00 3.14 H new ATOM 0 HA LEU A 122 -33.606 -2.823 -3.152 1.00 24.51 H new ATOM 0 HB2 LEU A 122 -33.696 0.157 -3.561 1.00 13.44 H new ATOM 0 HB3 LEU A 122 -35.179 -0.777 -3.600 1.00 13.44 H new ATOM 0 HG LEU A 122 -33.203 -0.997 -1.318 1.00 43.14 H new ATOM 0 HD11 LEU A 122 -34.664 0.620 -0.075 1.00 42.45 H new ATOM 0 HD12 LEU A 122 -33.921 1.375 -1.505 1.00 42.45 H new ATOM 0 HD13 LEU A 122 -35.625 0.864 -1.553 1.00 42.45 H new ATOM 0 HD21 LEU A 122 -35.189 -1.768 -0.037 1.00 72.15 H new ATOM 0 HD22 LEU A 122 -36.187 -1.597 -1.500 1.00 72.15 H new ATOM 0 HD23 LEU A 122 -34.875 -2.798 -1.453 1.00 72.15 H new ATOM 1879 N MET A 123 -34.933 -3.022 -5.321 1.00 13.01 N ATOM 1880 CA MET A 123 -35.343 -3.744 -6.513 1.00 61.12 C ATOM 1881 C MET A 123 -36.881 -3.770 -6.543 1.00 51.22 C ATOM 1882 O MET A 123 -37.515 -2.999 -5.817 1.00 74.22 O ATOM 1883 CB MET A 123 -34.699 -5.146 -6.442 1.00 74.53 C ATOM 1884 CG MET A 123 -34.408 -5.748 -7.820 1.00 52.24 C ATOM 1885 SD MET A 123 -32.964 -5.010 -8.643 1.00 22.20 S ATOM 1886 CE MET A 123 -33.142 -5.761 -10.280 1.00 35.51 C ATOM 0 H MET A 123 -35.583 -3.142 -4.544 1.00 13.01 H new ATOM 0 HA MET A 123 -35.014 -3.276 -7.441 1.00 61.12 H new ATOM 0 HB2 MET A 123 -33.769 -5.083 -5.877 1.00 74.53 H new ATOM 0 HB3 MET A 123 -35.361 -5.815 -5.893 1.00 74.53 H new ATOM 0 HG2 MET A 123 -34.246 -6.821 -7.712 1.00 52.24 H new ATOM 0 HG3 MET A 123 -35.284 -5.620 -8.456 1.00 52.24 H new ATOM 0 HE1 MET A 123 -32.334 -5.419 -10.927 1.00 35.51 H new ATOM 0 HE2 MET A 123 -33.099 -6.846 -10.189 1.00 35.51 H new ATOM 0 HE3 MET A 123 -34.100 -5.471 -10.711 1.00 35.51 H new ATOM 1896 N LEU A 124 -37.475 -4.614 -7.391 1.00 62.10 N ATOM 1897 CA LEU A 124 -38.735 -5.265 -7.053 1.00 21.41 C ATOM 1898 C LEU A 124 -38.305 -6.455 -6.211 1.00 75.23 C ATOM 1899 O LEU A 124 -38.939 -6.670 -5.152 1.00 4.23 O ATOM 1900 CB LEU A 124 -39.474 -5.796 -8.296 1.00 35.23 C ATOM 1901 CG LEU A 124 -39.911 -4.740 -9.318 1.00 51.43 C ATOM 1902 CD1 LEU A 124 -40.593 -5.444 -10.497 1.00 3.45 C ATOM 1903 CD2 LEU A 124 -40.867 -3.705 -8.716 1.00 75.13 C ATOM 0 H LEU A 124 -37.104 -4.859 -8.309 1.00 62.10 H new ATOM 0 HA LEU A 124 -39.415 -4.571 -6.559 1.00 21.41 H new ATOM 0 HB2 LEU A 124 -38.828 -6.515 -8.799 1.00 35.23 H new ATOM 0 HB3 LEU A 124 -40.358 -6.340 -7.964 1.00 35.23 H new ATOM 0 HG LEU A 124 -39.021 -4.204 -9.648 1.00 51.43 H new ATOM 0 HD11 LEU A 124 -40.908 -4.702 -11.231 1.00 3.45 H new ATOM 0 HD12 LEU A 124 -39.892 -6.138 -10.961 1.00 3.45 H new ATOM 0 HD13 LEU A 124 -41.464 -5.993 -10.139 1.00 3.45 H new ATOM 0 HD21 LEU A 124 -41.146 -2.980 -9.480 1.00 75.13 H new ATOM 0 HD22 LEU A 124 -41.762 -4.207 -8.348 1.00 75.13 H new ATOM 0 HD23 LEU A 124 -40.374 -3.191 -7.891 1.00 75.13 H new TER 1915 LEU A 124