USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 878 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 92 GLN : amide:sc= -0.4 K(o=-0.48,f=-3.4!) USER MOD Set 1.2: A 104 HIS :FLIP no HD1:sc= -0.0798 F(o=-1.3,f=-0.48) USER MOD Set 2.1: A 91 THR OG1 : rot -116:sc= 1.12 USER MOD Set 2.2: A 93 GLN : amide:sc= -0.0492 X(o=1.1,f=1) USER MOD Set 3.1: A 19 TYR OH : rot 54:sc= 0.125 USER MOD Set 3.2: A 49 TYR OH : rot 180:sc= 0.122 USER MOD Set 4.1: A 3 SER OG : rot 180:sc= 0.17 USER MOD Set 4.2: A 6 SER OG : rot -79:sc= 0.174 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0079 USER MOD Single : A 5 SER OG : rot 180:sc= 0.0343 USER MOD Single : A 10 GLN :FLIP amide:sc= 0 F(o=-0.89,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -111:sc= 1.29 (180deg=-0.265) USER MOD Single : A 14 HIS : no HD1:sc= -1.16 X(o=-1.2,f=-1.4) USER MOD Single : A 16 GLN : amide:sc= 0.711 K(o=0.71,f=-1) USER MOD Single : A 20 HIS : no HE2:sc= -0.183 X(o=-0.18,f=-0.28) USER MOD Single : A 34 HIS : no HE2:sc= 0.853 K(o=0.85,f=-2.6!) USER MOD Single : A 35 SER OG : rot 180:sc= 0.0891 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -170:sc= 1.2 (180deg=1.17) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot -2:sc= -0.241 USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 65 GLN : amide:sc= -1.18! C(o=-1.2!,f=-3.9!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0.36 X(o=0.36,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -170:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -0.108 X(o=-0.11,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.173 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 8:sc= 1.26 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 91:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.106 11.225 -13.264 1.00 0.00 N ATOM 2 CA GLY A 1 -15.992 10.997 -14.185 1.00 0.00 C ATOM 3 C GLY A 1 -15.093 12.212 -14.177 1.00 0.00 C ATOM 4 O GLY A 1 -15.493 13.271 -14.655 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.731 10.394 -13.262 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.737 11.382 -12.305 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.643 12.061 -13.569 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.431 10.111 -13.886 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.367 10.812 -15.192 1.00 0.00 H new ATOM 8 N SER A 2 -13.891 12.064 -13.620 1.00 0.00 N ATOM 9 CA SER A 2 -12.939 13.157 -13.452 1.00 0.00 C ATOM 10 C SER A 2 -11.485 12.689 -13.619 1.00 0.00 C ATOM 11 O SER A 2 -10.575 13.517 -13.533 1.00 0.00 O ATOM 12 CB SER A 2 -13.124 13.790 -12.061 1.00 0.00 C ATOM 13 OG SER A 2 -14.468 13.746 -11.602 1.00 0.00 O ATOM 0 H SER A 2 -13.549 11.170 -13.269 1.00 0.00 H new ATOM 0 HA SER A 2 -13.138 13.893 -14.231 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.485 13.273 -11.345 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.791 14.828 -12.094 1.00 0.00 H new ATOM 0 HG SER A 2 -14.525 14.160 -10.715 1.00 0.00 H new ATOM 19 N SER A 3 -11.234 11.383 -13.777 1.00 0.00 N ATOM 20 CA SER A 3 -9.890 10.820 -13.772 1.00 0.00 C ATOM 21 C SER A 3 -9.106 11.225 -15.028 1.00 0.00 C ATOM 22 O SER A 3 -9.650 11.791 -15.980 1.00 0.00 O ATOM 23 CB SER A 3 -9.973 9.298 -13.605 1.00 0.00 C ATOM 24 OG SER A 3 -8.734 8.763 -13.191 1.00 0.00 O ATOM 0 H SER A 3 -11.968 10.687 -13.912 1.00 0.00 H new ATOM 0 HA SER A 3 -9.337 11.227 -12.925 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.742 9.051 -12.873 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.273 8.841 -14.548 1.00 0.00 H new ATOM 0 HG SER A 3 -8.814 7.791 -13.090 1.00 0.00 H new ATOM 30 N GLY A 4 -7.804 10.951 -15.003 1.00 0.00 N ATOM 31 CA GLY A 4 -6.828 11.385 -15.986 1.00 0.00 C ATOM 32 C GLY A 4 -5.534 10.623 -15.750 1.00 0.00 C ATOM 33 O GLY A 4 -5.590 9.413 -15.509 1.00 0.00 O ATOM 0 H GLY A 4 -7.386 10.393 -14.259 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.198 11.200 -16.994 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.657 12.458 -15.901 1.00 0.00 H new ATOM 37 N SER A 5 -4.385 11.309 -15.697 1.00 0.00 N ATOM 38 CA SER A 5 -3.106 10.669 -15.357 1.00 0.00 C ATOM 39 C SER A 5 -3.155 9.981 -13.980 1.00 0.00 C ATOM 40 O SER A 5 -2.371 9.068 -13.712 1.00 0.00 O ATOM 41 CB SER A 5 -1.951 11.685 -15.396 1.00 0.00 C ATOM 42 OG SER A 5 -2.157 12.733 -16.330 1.00 0.00 O ATOM 0 H SER A 5 -4.314 12.309 -15.885 1.00 0.00 H new ATOM 0 HA SER A 5 -2.927 9.902 -16.111 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.820 12.114 -14.402 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.026 11.164 -15.643 1.00 0.00 H new ATOM 0 HG SER A 5 -1.393 13.346 -16.308 1.00 0.00 H new ATOM 48 N SER A 6 -4.114 10.376 -13.129 1.00 0.00 N ATOM 49 CA SER A 6 -4.368 9.833 -11.797 1.00 0.00 C ATOM 50 C SER A 6 -3.150 9.990 -10.873 1.00 0.00 C ATOM 51 O SER A 6 -3.010 9.225 -9.919 1.00 0.00 O ATOM 52 CB SER A 6 -4.833 8.369 -11.910 1.00 0.00 C ATOM 53 OG SER A 6 -5.730 8.181 -12.996 1.00 0.00 O ATOM 0 H SER A 6 -4.765 11.123 -13.370 1.00 0.00 H new ATOM 0 HA SER A 6 -5.170 10.408 -11.334 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.966 7.721 -12.039 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.319 8.070 -10.981 1.00 0.00 H new ATOM 0 HG SER A 6 -6.626 8.482 -12.736 1.00 0.00 H new ATOM 59 N GLY A 7 -2.235 10.907 -11.198 1.00 0.00 N ATOM 60 CA GLY A 7 -0.933 11.031 -10.578 1.00 0.00 C ATOM 61 C GLY A 7 -1.074 11.779 -9.269 1.00 0.00 C ATOM 62 O GLY A 7 -0.987 13.009 -9.251 1.00 0.00 O ATOM 0 H GLY A 7 -2.395 11.603 -11.926 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.505 10.044 -10.402 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.250 11.561 -11.242 1.00 0.00 H new ATOM 66 N GLU A 8 -1.290 11.050 -8.181 1.00 0.00 N ATOM 67 CA GLU A 8 -1.511 11.579 -6.839 1.00 0.00 C ATOM 68 C GLU A 8 -0.332 11.255 -5.926 1.00 0.00 C ATOM 69 O GLU A 8 -0.417 11.432 -4.718 1.00 0.00 O ATOM 70 CB GLU A 8 -2.867 11.089 -6.300 1.00 0.00 C ATOM 71 CG GLU A 8 -3.976 11.903 -6.978 1.00 0.00 C ATOM 72 CD GLU A 8 -5.394 11.466 -6.626 1.00 0.00 C ATOM 73 OE1 GLU A 8 -5.648 10.877 -5.560 1.00 0.00 O ATOM 74 OE2 GLU A 8 -6.299 11.729 -7.457 1.00 0.00 O ATOM 0 H GLU A 8 -1.317 10.031 -8.210 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.564 12.667 -6.874 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.996 10.026 -6.506 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.913 11.212 -5.218 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.856 12.952 -6.706 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.848 11.837 -8.058 1.00 0.00 H new ATOM 81 N VAL A 9 0.799 10.838 -6.490 1.00 0.00 N ATOM 82 CA VAL A 9 2.010 10.499 -5.784 1.00 0.00 C ATOM 83 C VAL A 9 2.373 11.618 -4.813 1.00 0.00 C ATOM 84 O VAL A 9 2.711 11.330 -3.677 1.00 0.00 O ATOM 85 CB VAL A 9 3.152 10.256 -6.794 1.00 0.00 C ATOM 86 CG1 VAL A 9 4.259 9.484 -6.099 1.00 0.00 C ATOM 87 CG2 VAL A 9 2.742 9.488 -8.064 1.00 0.00 C ATOM 0 H VAL A 9 0.890 10.725 -7.500 1.00 0.00 H new ATOM 0 HA VAL A 9 1.854 9.584 -5.212 1.00 0.00 H new ATOM 0 HB VAL A 9 3.473 11.243 -7.127 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.074 9.305 -6.801 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.630 10.062 -5.253 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.870 8.530 -5.744 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.610 9.366 -8.712 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.355 8.507 -7.787 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.970 10.046 -8.593 1.00 0.00 H new ATOM 97 N GLN A 10 2.348 12.879 -5.259 1.00 0.00 N ATOM 98 CA GLN A 10 2.876 13.988 -4.476 1.00 0.00 C ATOM 99 C GLN A 10 1.853 14.542 -3.470 1.00 0.00 C ATOM 100 O GLN A 10 2.230 15.357 -2.625 1.00 0.00 O ATOM 101 CB GLN A 10 3.398 15.103 -5.394 1.00 0.00 C ATOM 102 CG GLN A 10 4.284 14.635 -6.563 1.00 0.00 C ATOM 103 CD GLN A 10 5.605 13.985 -6.144 1.00 0.00 C ATOM 104 OE1 GLN A 10 5.665 12.666 -6.076 1.00 0.00 O flip ATOM 105 NE2 GLN A 10 6.611 14.659 -5.934 1.00 0.00 N flip ATOM 0 H GLN A 10 1.964 13.152 -6.164 1.00 0.00 H new ATOM 0 HA GLN A 10 3.709 13.595 -3.893 1.00 0.00 H new ATOM 0 HB2 GLN A 10 2.544 15.644 -5.801 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.966 15.811 -4.791 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.720 13.924 -7.166 1.00 0.00 H new ATOM 0 HG3 GLN A 10 4.502 15.491 -7.201 1.00 0.00 H new ATOM 0 HE21 GLN A 10 6.563 15.677 -5.987 1.00 0.00 H new ATOM 0 HE22 GLN A 10 7.494 14.201 -5.707 1.00 0.00 H new ATOM 114 N LYS A 11 0.578 14.140 -3.559 1.00 0.00 N ATOM 115 CA LYS A 11 -0.467 14.523 -2.600 1.00 0.00 C ATOM 116 C LYS A 11 -0.090 14.052 -1.196 1.00 0.00 C ATOM 117 O LYS A 11 0.772 13.179 -1.040 1.00 0.00 O ATOM 118 CB LYS A 11 -1.822 13.921 -3.021 1.00 0.00 C ATOM 119 CG LYS A 11 -2.594 14.752 -4.055 1.00 0.00 C ATOM 120 CD LYS A 11 -3.690 15.612 -3.411 1.00 0.00 C ATOM 121 CE LYS A 11 -4.722 16.010 -4.465 1.00 0.00 C ATOM 122 NZ LYS A 11 -5.922 16.631 -3.871 1.00 0.00 N ATOM 0 H LYS A 11 0.240 13.534 -4.306 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.556 15.609 -2.592 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.652 12.925 -3.429 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.443 13.800 -2.133 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.898 15.397 -4.592 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.044 14.085 -4.791 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.174 15.058 -2.606 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.250 16.504 -2.965 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.267 16.706 -5.170 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.016 15.127 -5.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.734 15.991 -3.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.756 16.810 -2.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.123 17.530 -4.354 1.00 0.00 H new ATOM 136 N PRO A 12 -0.758 14.568 -0.152 1.00 0.00 N ATOM 137 CA PRO A 12 -0.588 14.022 1.179 1.00 0.00 C ATOM 138 C PRO A 12 -1.095 12.588 1.197 1.00 0.00 C ATOM 139 O PRO A 12 -1.928 12.198 0.373 1.00 0.00 O ATOM 140 CB PRO A 12 -1.421 14.899 2.104 1.00 0.00 C ATOM 141 CG PRO A 12 -2.483 15.512 1.196 1.00 0.00 C ATOM 142 CD PRO A 12 -1.801 15.589 -0.167 1.00 0.00 C ATOM 0 HA PRO A 12 0.456 14.011 1.492 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.873 14.314 2.905 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.811 15.669 2.577 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.381 14.895 1.159 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.788 16.498 1.547 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.514 15.407 -0.971 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.376 16.579 -0.336 1.00 0.00 H new ATOM 150 N LEU A 13 -0.673 11.817 2.197 1.00 0.00 N ATOM 151 CA LEU A 13 -1.234 10.495 2.434 1.00 0.00 C ATOM 152 C LEU A 13 -2.738 10.586 2.686 1.00 0.00 C ATOM 153 O LEU A 13 -3.474 9.704 2.249 1.00 0.00 O ATOM 154 CB LEU A 13 -0.469 9.816 3.577 1.00 0.00 C ATOM 155 CG LEU A 13 -0.834 8.328 3.788 1.00 0.00 C ATOM 156 CD1 LEU A 13 0.354 7.628 4.442 1.00 0.00 C ATOM 157 CD2 LEU A 13 -2.011 8.086 4.735 1.00 0.00 C ATOM 0 H LEU A 13 0.057 12.089 2.856 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.115 9.872 1.548 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.600 9.892 3.379 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.661 10.360 4.502 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.100 7.953 2.800 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.115 6.576 4.599 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.226 7.709 3.793 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.570 8.098 5.401 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.194 7.015 4.822 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.777 8.495 5.718 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.902 8.575 4.341 1.00 0.00 H new ATOM 169 N HIS A 14 -3.204 11.643 3.362 1.00 0.00 N ATOM 170 CA HIS A 14 -4.588 11.701 3.823 1.00 0.00 C ATOM 171 C HIS A 14 -5.615 11.901 2.689 1.00 0.00 C ATOM 172 O HIS A 14 -6.815 11.888 2.962 1.00 0.00 O ATOM 173 CB HIS A 14 -4.727 12.722 4.970 1.00 0.00 C ATOM 174 CG HIS A 14 -4.449 14.163 4.613 1.00 0.00 C ATOM 175 ND1 HIS A 14 -5.295 14.997 3.922 1.00 0.00 N ATOM 176 CD2 HIS A 14 -3.339 14.892 4.943 1.00 0.00 C ATOM 177 CE1 HIS A 14 -4.688 16.184 3.784 1.00 0.00 C ATOM 178 NE2 HIS A 14 -3.486 16.170 4.389 1.00 0.00 N ATOM 0 H HIS A 14 -2.644 12.462 3.599 1.00 0.00 H new ATOM 0 HA HIS A 14 -4.839 10.719 4.224 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -5.740 12.656 5.367 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -4.050 12.431 5.773 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.499 14.544 5.526 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -5.105 17.032 3.261 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -2.816 16.937 4.435 1.00 0.00 H new ATOM 186 N GLU A 15 -5.182 12.074 1.435 1.00 0.00 N ATOM 187 CA GLU A 15 -6.054 12.252 0.265 1.00 0.00 C ATOM 188 C GLU A 15 -5.795 11.167 -0.788 1.00 0.00 C ATOM 189 O GLU A 15 -6.253 11.293 -1.927 1.00 0.00 O ATOM 190 CB GLU A 15 -5.854 13.660 -0.327 1.00 0.00 C ATOM 191 CG GLU A 15 -6.491 14.758 0.535 1.00 0.00 C ATOM 192 CD GLU A 15 -6.167 16.167 0.030 1.00 0.00 C ATOM 193 OE1 GLU A 15 -5.935 16.349 -1.190 1.00 0.00 O ATOM 194 OE2 GLU A 15 -6.070 17.105 0.856 1.00 0.00 O ATOM 0 H GLU A 15 -4.190 12.095 1.198 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.091 12.152 0.585 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.787 13.858 -0.431 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.284 13.694 -1.328 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.572 14.621 0.550 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.143 14.656 1.563 1.00 0.00 H new ATOM 201 N GLN A 16 -5.025 10.127 -0.455 1.00 0.00 N ATOM 202 CA GLN A 16 -4.778 9.020 -1.369 1.00 0.00 C ATOM 203 C GLN A 16 -6.034 8.154 -1.496 1.00 0.00 C ATOM 204 O GLN A 16 -6.964 8.239 -0.696 1.00 0.00 O ATOM 205 CB GLN A 16 -3.590 8.184 -0.879 1.00 0.00 C ATOM 206 CG GLN A 16 -2.295 8.993 -0.770 1.00 0.00 C ATOM 207 CD GLN A 16 -1.749 9.472 -2.109 1.00 0.00 C ATOM 208 OE1 GLN A 16 -1.838 8.781 -3.118 1.00 0.00 O ATOM 209 NE2 GLN A 16 -1.126 10.635 -2.127 1.00 0.00 N ATOM 0 H GLN A 16 -4.561 10.033 0.449 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.533 9.420 -2.353 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.829 7.758 0.096 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.434 7.349 -1.562 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.472 9.858 -0.131 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.538 8.383 -0.278 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.064 11.194 -1.276 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.707 10.976 -2.992 1.00 0.00 H new ATOM 218 N LEU A 17 -6.045 7.305 -2.520 1.00 0.00 N ATOM 219 CA LEU A 17 -7.210 6.555 -2.973 1.00 0.00 C ATOM 220 C LEU A 17 -7.169 5.160 -2.378 1.00 0.00 C ATOM 221 O LEU A 17 -8.129 4.744 -1.744 1.00 0.00 O ATOM 222 CB LEU A 17 -7.312 6.501 -4.511 1.00 0.00 C ATOM 223 CG LEU A 17 -6.017 6.292 -5.333 1.00 0.00 C ATOM 224 CD1 LEU A 17 -6.339 5.551 -6.634 1.00 0.00 C ATOM 225 CD2 LEU A 17 -5.317 7.614 -5.669 1.00 0.00 C ATOM 0 H LEU A 17 -5.212 7.114 -3.077 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.104 7.073 -2.627 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.001 5.697 -4.769 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.769 7.432 -4.845 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.339 5.702 -4.716 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.423 5.407 -7.207 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.777 4.580 -6.401 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.046 6.137 -7.221 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.415 7.412 -6.246 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.988 8.243 -6.254 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.050 8.129 -4.746 1.00 0.00 H new ATOM 237 N TRP A 18 -6.035 4.476 -2.523 1.00 0.00 N ATOM 238 CA TRP A 18 -5.734 3.208 -1.876 1.00 0.00 C ATOM 239 C TRP A 18 -5.666 3.335 -0.354 1.00 0.00 C ATOM 240 O TRP A 18 -5.537 2.325 0.337 1.00 0.00 O ATOM 241 CB TRP A 18 -4.417 2.684 -2.464 1.00 0.00 C ATOM 242 CG TRP A 18 -3.323 3.702 -2.628 1.00 0.00 C ATOM 243 CD1 TRP A 18 -2.865 4.185 -3.807 1.00 0.00 C ATOM 244 CD2 TRP A 18 -2.535 4.380 -1.598 1.00 0.00 C ATOM 245 NE1 TRP A 18 -1.875 5.107 -3.577 1.00 0.00 N ATOM 246 CE2 TRP A 18 -1.596 5.229 -2.242 1.00 0.00 C ATOM 247 CE3 TRP A 18 -2.458 4.314 -0.190 1.00 0.00 C ATOM 248 CZ2 TRP A 18 -0.639 5.963 -1.541 1.00 0.00 C ATOM 249 CZ3 TRP A 18 -1.515 5.067 0.536 1.00 0.00 C ATOM 250 CH2 TRP A 18 -0.590 5.880 -0.140 1.00 0.00 C ATOM 0 H TRP A 18 -5.275 4.806 -3.118 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.539 2.499 -2.070 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -4.049 1.882 -1.824 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.626 2.243 -3.439 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -3.225 3.889 -4.781 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -1.404 5.637 -4.311 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -3.140 3.669 0.344 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 0.060 6.591 -2.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -1.503 5.019 1.615 1.00 0.00 H new ATOM 0 HH2 TRP A 18 0.152 6.436 0.413 1.00 0.00 H new ATOM 261 N TYR A 19 -5.675 4.552 0.190 1.00 0.00 N ATOM 262 CA TYR A 19 -5.692 4.758 1.630 1.00 0.00 C ATOM 263 C TYR A 19 -7.127 4.544 2.138 1.00 0.00 C ATOM 264 O TYR A 19 -7.964 5.421 1.961 1.00 0.00 O ATOM 265 CB TYR A 19 -5.132 6.153 1.929 1.00 0.00 C ATOM 266 CG TYR A 19 -5.173 6.559 3.384 1.00 0.00 C ATOM 267 CD1 TYR A 19 -4.751 5.668 4.389 1.00 0.00 C ATOM 268 CD2 TYR A 19 -5.652 7.836 3.730 1.00 0.00 C ATOM 269 CE1 TYR A 19 -4.868 6.031 5.739 1.00 0.00 C ATOM 270 CE2 TYR A 19 -5.787 8.196 5.079 1.00 0.00 C ATOM 271 CZ TYR A 19 -5.429 7.278 6.085 1.00 0.00 C ATOM 272 OH TYR A 19 -5.634 7.592 7.387 1.00 0.00 O ATOM 0 H TYR A 19 -5.671 5.414 -0.355 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.060 4.043 2.157 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -4.099 6.195 1.585 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.692 6.885 1.347 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.338 4.707 4.121 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.916 8.541 2.955 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.529 5.357 6.512 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.164 9.173 5.345 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.799 7.478 7.886 1.00 0.00 H new ATOM 282 N HIS A 20 -7.442 3.391 2.745 1.00 0.00 N ATOM 283 CA HIS A 20 -8.789 3.120 3.275 1.00 0.00 C ATOM 284 C HIS A 20 -8.969 3.592 4.741 1.00 0.00 C ATOM 285 O HIS A 20 -10.041 3.388 5.308 1.00 0.00 O ATOM 286 CB HIS A 20 -9.197 1.652 3.059 1.00 0.00 C ATOM 287 CG HIS A 20 -9.735 1.344 1.683 1.00 0.00 C ATOM 288 ND1 HIS A 20 -11.030 0.958 1.406 1.00 0.00 N ATOM 289 CD2 HIS A 20 -9.054 1.400 0.496 1.00 0.00 C ATOM 290 CE1 HIS A 20 -11.129 0.798 0.074 1.00 0.00 C ATOM 291 NE2 HIS A 20 -9.946 1.045 -0.518 1.00 0.00 N ATOM 0 H HIS A 20 -6.780 2.627 2.882 1.00 0.00 H new ATOM 0 HA HIS A 20 -9.484 3.727 2.695 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.331 1.017 3.246 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -9.953 1.387 3.798 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -11.777 0.819 2.087 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -8.016 1.670 0.368 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -12.031 0.512 -0.447 1.00 0.00 H new ATOM 299 N GLY A 21 -7.953 4.156 5.412 1.00 0.00 N ATOM 300 CA GLY A 21 -8.052 4.705 6.767 1.00 0.00 C ATOM 301 C GLY A 21 -7.656 3.632 7.771 1.00 0.00 C ATOM 302 O GLY A 21 -6.483 3.263 7.836 1.00 0.00 O ATOM 0 H GLY A 21 -7.018 4.244 5.015 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.401 5.573 6.869 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.069 5.044 6.961 1.00 0.00 H new ATOM 306 N ALA A 22 -8.647 3.006 8.400 1.00 0.00 N ATOM 307 CA ALA A 22 -8.605 1.699 9.046 1.00 0.00 C ATOM 308 C ALA A 22 -9.716 0.816 8.463 1.00 0.00 C ATOM 309 O ALA A 22 -10.860 1.268 8.373 1.00 0.00 O ATOM 310 CB ALA A 22 -8.819 1.876 10.552 1.00 0.00 C ATOM 0 H ALA A 22 -9.570 3.433 8.477 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.638 1.227 8.872 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.789 0.902 11.041 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.032 2.511 10.959 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.789 2.341 10.730 1.00 0.00 H new ATOM 316 N ILE A 23 -9.424 -0.448 8.139 1.00 0.00 N ATOM 317 CA ILE A 23 -10.397 -1.498 7.805 1.00 0.00 C ATOM 318 C ILE A 23 -9.918 -2.797 8.485 1.00 0.00 C ATOM 319 O ILE A 23 -8.710 -2.953 8.721 1.00 0.00 O ATOM 320 CB ILE A 23 -10.627 -1.627 6.259 1.00 0.00 C ATOM 321 CG1 ILE A 23 -10.227 -2.980 5.644 1.00 0.00 C ATOM 322 CG2 ILE A 23 -9.914 -0.559 5.449 1.00 0.00 C ATOM 323 CD1 ILE A 23 -10.417 -3.093 4.135 1.00 0.00 C ATOM 0 H ILE A 23 -8.462 -0.784 8.100 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.387 -1.246 8.186 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.709 -1.512 6.194 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.179 -3.170 5.877 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.809 -3.766 6.126 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.118 -0.710 4.389 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.271 0.426 5.751 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.840 -0.625 5.625 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -10.106 -4.083 3.802 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -11.468 -2.940 3.888 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.813 -2.336 3.635 1.00 0.00 H new ATOM 335 N PRO A 24 -10.804 -3.768 8.763 1.00 0.00 N ATOM 336 CA PRO A 24 -10.427 -5.095 9.250 1.00 0.00 C ATOM 337 C PRO A 24 -9.642 -5.895 8.197 1.00 0.00 C ATOM 338 O PRO A 24 -9.511 -5.500 7.045 1.00 0.00 O ATOM 339 CB PRO A 24 -11.753 -5.777 9.611 1.00 0.00 C ATOM 340 CG PRO A 24 -12.744 -5.124 8.660 1.00 0.00 C ATOM 341 CD PRO A 24 -12.241 -3.693 8.540 1.00 0.00 C ATOM 0 HA PRO A 24 -9.757 -5.032 10.107 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -11.705 -6.856 9.465 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -12.023 -5.608 10.653 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -12.760 -5.625 7.692 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -13.760 -5.160 9.054 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -12.465 -3.279 7.557 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -12.719 -3.046 9.275 1.00 0.00 H new ATOM 349 N ARG A 25 -9.110 -7.065 8.554 1.00 0.00 N ATOM 350 CA ARG A 25 -8.550 -7.981 7.552 1.00 0.00 C ATOM 351 C ARG A 25 -9.657 -8.521 6.678 1.00 0.00 C ATOM 352 O ARG A 25 -9.475 -8.588 5.465 1.00 0.00 O ATOM 353 CB ARG A 25 -7.781 -9.108 8.265 1.00 0.00 C ATOM 354 CG ARG A 25 -7.647 -10.433 7.483 1.00 0.00 C ATOM 355 CD ARG A 25 -7.260 -11.588 8.408 1.00 0.00 C ATOM 356 NE ARG A 25 -8.421 -12.107 9.150 1.00 0.00 N ATOM 357 CZ ARG A 25 -8.716 -13.374 9.460 1.00 0.00 C ATOM 358 NH1 ARG A 25 -8.028 -14.386 8.937 1.00 0.00 N ATOM 359 NH2 ARG A 25 -9.702 -13.612 10.316 1.00 0.00 N ATOM 0 H ARG A 25 -9.054 -7.400 9.516 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.850 -7.450 6.907 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.781 -8.746 8.502 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -8.277 -9.317 9.213 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -8.590 -10.662 6.987 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -6.895 -10.322 6.702 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.816 -12.391 7.820 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.500 -11.250 9.112 1.00 0.00 H new ATOM 0 HE ARG A 25 -9.090 -11.407 9.470 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.262 -14.201 8.289 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -8.266 -15.346 9.184 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -10.221 -12.835 10.725 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -9.941 -14.572 10.564 1.00 0.00 H new ATOM 373 N ALA A 26 -10.772 -8.936 7.269 1.00 0.00 N ATOM 374 CA ALA A 26 -11.785 -9.693 6.561 1.00 0.00 C ATOM 375 C ALA A 26 -12.255 -8.976 5.295 1.00 0.00 C ATOM 376 O ALA A 26 -12.445 -9.632 4.273 1.00 0.00 O ATOM 377 CB ALA A 26 -12.925 -9.970 7.530 1.00 0.00 C ATOM 0 H ALA A 26 -10.994 -8.756 8.248 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.367 -10.638 6.214 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -13.703 -10.540 7.023 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -12.550 -10.543 8.378 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -13.339 -9.026 7.884 1.00 0.00 H new ATOM 383 N GLU A 27 -12.398 -7.652 5.355 1.00 0.00 N ATOM 384 CA GLU A 27 -12.917 -6.814 4.270 1.00 0.00 C ATOM 385 C GLU A 27 -11.956 -6.734 3.086 1.00 0.00 C ATOM 386 O GLU A 27 -12.394 -6.499 1.966 1.00 0.00 O ATOM 387 CB GLU A 27 -13.172 -5.411 4.829 1.00 0.00 C ATOM 388 CG GLU A 27 -14.422 -5.348 5.714 1.00 0.00 C ATOM 389 CD GLU A 27 -15.728 -5.238 4.937 1.00 0.00 C ATOM 390 OE1 GLU A 27 -16.214 -6.272 4.416 1.00 0.00 O ATOM 391 OE2 GLU A 27 -16.292 -4.117 4.932 1.00 0.00 O ATOM 0 H GLU A 27 -12.148 -7.115 6.185 1.00 0.00 H new ATOM 0 HA GLU A 27 -13.839 -7.262 3.898 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.305 -5.091 5.407 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.281 -4.709 4.003 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -14.457 -6.240 6.339 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.337 -4.493 6.384 1.00 0.00 H new ATOM 398 N VAL A 28 -10.659 -6.946 3.304 1.00 0.00 N ATOM 399 CA VAL A 28 -9.639 -6.761 2.287 1.00 0.00 C ATOM 400 C VAL A 28 -9.978 -7.560 1.034 1.00 0.00 C ATOM 401 O VAL A 28 -10.062 -6.980 -0.035 1.00 0.00 O ATOM 402 CB VAL A 28 -8.264 -7.139 2.849 1.00 0.00 C ATOM 403 CG1 VAL A 28 -7.217 -7.169 1.741 1.00 0.00 C ATOM 404 CG2 VAL A 28 -7.819 -6.173 3.958 1.00 0.00 C ATOM 0 H VAL A 28 -10.289 -7.254 4.203 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.607 -5.710 2.000 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.356 -8.135 3.282 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.249 -7.439 2.162 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.504 -7.904 0.989 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.149 -6.185 1.278 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.840 -6.474 4.331 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.759 -5.161 3.557 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.542 -6.198 4.774 1.00 0.00 H new ATOM 414 N ALA A 29 -10.151 -8.877 1.124 1.00 0.00 N ATOM 415 CA ALA A 29 -10.326 -9.692 -0.090 1.00 0.00 C ATOM 416 C ALA A 29 -11.644 -9.434 -0.838 1.00 0.00 C ATOM 417 O ALA A 29 -11.893 -10.022 -1.885 1.00 0.00 O ATOM 418 CB ALA A 29 -10.305 -11.163 0.249 1.00 0.00 C ATOM 0 H ALA A 29 -10.175 -9.399 2.000 1.00 0.00 H new ATOM 0 HA ALA A 29 -9.496 -9.402 -0.734 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.436 -11.748 -0.661 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.350 -11.417 0.709 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.114 -11.388 0.944 1.00 0.00 H new ATOM 424 N GLU A 30 -12.531 -8.648 -0.247 1.00 0.00 N ATOM 425 CA GLU A 30 -13.683 -8.070 -0.918 1.00 0.00 C ATOM 426 C GLU A 30 -13.244 -6.893 -1.805 1.00 0.00 C ATOM 427 O GLU A 30 -13.758 -6.740 -2.912 1.00 0.00 O ATOM 428 CB GLU A 30 -14.734 -7.721 0.157 1.00 0.00 C ATOM 429 CG GLU A 30 -15.445 -6.361 0.111 1.00 0.00 C ATOM 430 CD GLU A 30 -16.630 -6.389 -0.843 1.00 0.00 C ATOM 431 OE1 GLU A 30 -17.638 -7.044 -0.494 1.00 0.00 O ATOM 432 OE2 GLU A 30 -16.585 -5.739 -1.912 1.00 0.00 O ATOM 0 H GLU A 30 -12.467 -8.389 0.737 1.00 0.00 H new ATOM 0 HA GLU A 30 -14.153 -8.773 -1.606 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.503 -8.492 0.123 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.246 -7.801 1.128 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.786 -6.093 1.111 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -14.741 -5.590 -0.203 1.00 0.00 H new ATOM 439 N LEU A 31 -12.315 -6.057 -1.335 1.00 0.00 N ATOM 440 CA LEU A 31 -11.777 -4.918 -2.067 1.00 0.00 C ATOM 441 C LEU A 31 -10.875 -5.406 -3.192 1.00 0.00 C ATOM 442 O LEU A 31 -10.859 -4.838 -4.283 1.00 0.00 O ATOM 443 CB LEU A 31 -10.948 -4.029 -1.121 1.00 0.00 C ATOM 444 CG LEU A 31 -11.695 -3.471 0.102 1.00 0.00 C ATOM 445 CD1 LEU A 31 -10.709 -2.663 0.941 1.00 0.00 C ATOM 446 CD2 LEU A 31 -12.833 -2.551 -0.323 1.00 0.00 C ATOM 0 H LEU A 31 -11.907 -6.161 -0.406 1.00 0.00 H new ATOM 0 HA LEU A 31 -12.608 -4.345 -2.479 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.093 -4.605 -0.768 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.553 -3.191 -1.695 1.00 0.00 H new ATOM 0 HG LEU A 31 -12.111 -4.304 0.669 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.221 -2.258 1.814 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.893 -3.309 1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.308 -1.844 0.343 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -13.344 -2.171 0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -12.431 -1.716 -0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -13.540 -3.107 -0.939 1.00 0.00 H new ATOM 458 N LEU A 32 -10.082 -6.444 -2.917 1.00 0.00 N ATOM 459 CA LEU A 32 -9.103 -6.984 -3.838 1.00 0.00 C ATOM 460 C LEU A 32 -9.674 -8.253 -4.435 1.00 0.00 C ATOM 461 O LEU A 32 -9.879 -9.229 -3.716 1.00 0.00 O ATOM 462 CB LEU A 32 -7.755 -7.295 -3.157 1.00 0.00 C ATOM 463 CG LEU A 32 -7.356 -6.422 -1.964 1.00 0.00 C ATOM 464 CD1 LEU A 32 -6.025 -6.869 -1.365 1.00 0.00 C ATOM 465 CD2 LEU A 32 -7.313 -4.942 -2.325 1.00 0.00 C ATOM 0 H LEU A 32 -10.110 -6.938 -2.025 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.902 -6.236 -4.605 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.776 -8.333 -2.824 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.970 -7.218 -3.910 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.131 -6.553 -1.209 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.772 -6.228 -0.521 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.107 -7.901 -1.025 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.243 -6.798 -2.121 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.026 -4.362 -1.448 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.585 -4.782 -3.120 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.298 -4.622 -2.665 1.00 0.00 H new ATOM 477 N VAL A 33 -9.825 -8.261 -5.749 1.00 0.00 N ATOM 478 CA VAL A 33 -10.198 -9.440 -6.522 1.00 0.00 C ATOM 479 C VAL A 33 -9.014 -9.855 -7.393 1.00 0.00 C ATOM 480 O VAL A 33 -8.779 -11.039 -7.625 1.00 0.00 O ATOM 481 CB VAL A 33 -11.447 -9.103 -7.365 1.00 0.00 C ATOM 482 CG1 VAL A 33 -11.999 -10.311 -8.125 1.00 0.00 C ATOM 483 CG2 VAL A 33 -12.584 -8.541 -6.500 1.00 0.00 C ATOM 0 H VAL A 33 -9.689 -7.429 -6.324 1.00 0.00 H new ATOM 0 HA VAL A 33 -10.445 -10.279 -5.871 1.00 0.00 H new ATOM 0 HB VAL A 33 -11.106 -8.354 -8.080 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -12.876 -10.010 -8.699 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.236 -10.694 -8.803 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.279 -11.090 -7.416 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -13.444 -8.317 -7.131 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -12.867 -9.278 -5.748 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -12.249 -7.629 -6.006 1.00 0.00 H new ATOM 493 N HIS A 34 -8.248 -8.875 -7.872 1.00 0.00 N ATOM 494 CA HIS A 34 -7.243 -9.086 -8.891 1.00 0.00 C ATOM 495 C HIS A 34 -5.871 -9.155 -8.227 1.00 0.00 C ATOM 496 O HIS A 34 -5.594 -8.439 -7.260 1.00 0.00 O ATOM 497 CB HIS A 34 -7.342 -7.957 -9.919 1.00 0.00 C ATOM 498 CG HIS A 34 -8.770 -7.555 -10.238 1.00 0.00 C ATOM 499 ND1 HIS A 34 -9.382 -6.412 -9.782 1.00 0.00 N ATOM 500 CD2 HIS A 34 -9.744 -8.319 -10.830 1.00 0.00 C ATOM 501 CE1 HIS A 34 -10.671 -6.446 -10.160 1.00 0.00 C ATOM 502 NE2 HIS A 34 -10.929 -7.574 -10.848 1.00 0.00 N ATOM 0 H HIS A 34 -8.315 -7.908 -7.555 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.400 -10.028 -9.416 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.803 -7.087 -9.545 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.846 -8.268 -10.838 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -8.935 -5.666 -9.249 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -9.618 -9.320 -11.215 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -11.397 -5.677 -9.943 1.00 0.00 H new ATOM 510 N SER A 35 -5.006 -10.016 -8.746 1.00 0.00 N ATOM 511 CA SER A 35 -3.651 -10.254 -8.285 1.00 0.00 C ATOM 512 C SER A 35 -2.767 -9.039 -8.562 1.00 0.00 C ATOM 513 O SER A 35 -2.099 -8.938 -9.596 1.00 0.00 O ATOM 514 CB SER A 35 -3.142 -11.512 -8.990 1.00 0.00 C ATOM 515 OG SER A 35 -3.561 -11.568 -10.347 1.00 0.00 O ATOM 0 H SER A 35 -5.249 -10.599 -9.547 1.00 0.00 H new ATOM 0 HA SER A 35 -3.626 -10.408 -7.206 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.053 -11.537 -8.945 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.503 -12.395 -8.462 1.00 0.00 H new ATOM 0 HG SER A 35 -3.214 -12.385 -10.763 1.00 0.00 H new ATOM 521 N GLY A 36 -2.789 -8.089 -7.641 1.00 0.00 N ATOM 522 CA GLY A 36 -2.192 -6.779 -7.825 1.00 0.00 C ATOM 523 C GLY A 36 -2.884 -5.668 -7.075 1.00 0.00 C ATOM 524 O GLY A 36 -2.242 -4.641 -6.850 1.00 0.00 O ATOM 0 H GLY A 36 -3.230 -8.210 -6.729 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.150 -6.820 -7.508 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.193 -6.539 -8.888 1.00 0.00 H new ATOM 528 N ASP A 37 -4.169 -5.840 -6.755 1.00 0.00 N ATOM 529 CA ASP A 37 -4.938 -4.839 -6.031 1.00 0.00 C ATOM 530 C ASP A 37 -4.333 -4.704 -4.638 1.00 0.00 C ATOM 531 O ASP A 37 -4.100 -5.716 -3.969 1.00 0.00 O ATOM 532 CB ASP A 37 -6.447 -5.168 -6.000 1.00 0.00 C ATOM 533 CG ASP A 37 -7.238 -4.339 -7.025 1.00 0.00 C ATOM 534 OD1 ASP A 37 -7.028 -3.109 -7.108 1.00 0.00 O ATOM 535 OD2 ASP A 37 -8.115 -4.893 -7.733 1.00 0.00 O ATOM 0 H ASP A 37 -4.700 -6.678 -6.993 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.877 -3.880 -6.546 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.591 -6.229 -6.203 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.839 -4.979 -5.001 1.00 0.00 H new ATOM 540 N PHE A 38 -4.070 -3.469 -4.206 1.00 0.00 N ATOM 541 CA PHE A 38 -3.485 -3.125 -2.919 1.00 0.00 C ATOM 542 C PHE A 38 -4.232 -1.953 -2.288 1.00 0.00 C ATOM 543 O PHE A 38 -4.780 -1.099 -2.988 1.00 0.00 O ATOM 544 CB PHE A 38 -1.975 -2.831 -3.070 1.00 0.00 C ATOM 545 CG PHE A 38 -1.592 -1.631 -3.916 1.00 0.00 C ATOM 546 CD1 PHE A 38 -1.774 -0.320 -3.432 1.00 0.00 C ATOM 547 CD2 PHE A 38 -1.035 -1.833 -5.195 1.00 0.00 C ATOM 548 CE1 PHE A 38 -1.452 0.776 -4.247 1.00 0.00 C ATOM 549 CE2 PHE A 38 -0.752 -0.736 -6.022 1.00 0.00 C ATOM 550 CZ PHE A 38 -0.964 0.566 -5.544 1.00 0.00 C ATOM 0 H PHE A 38 -4.271 -2.646 -4.775 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.586 -3.977 -2.247 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.555 -2.692 -2.074 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.498 -3.713 -3.497 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.160 -0.159 -2.436 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.826 -2.835 -5.539 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.580 1.782 -3.875 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.373 -0.893 -7.021 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.750 1.412 -6.180 1.00 0.00 H new ATOM 560 N LEU A 39 -4.188 -1.871 -0.955 1.00 0.00 N ATOM 561 CA LEU A 39 -4.660 -0.763 -0.154 1.00 0.00 C ATOM 562 C LEU A 39 -3.710 -0.591 1.035 1.00 0.00 C ATOM 563 O LEU A 39 -2.953 -1.508 1.376 1.00 0.00 O ATOM 564 CB LEU A 39 -6.105 -1.036 0.284 1.00 0.00 C ATOM 565 CG LEU A 39 -6.235 -2.170 1.323 1.00 0.00 C ATOM 566 CD1 LEU A 39 -6.840 -1.637 2.608 1.00 0.00 C ATOM 567 CD2 LEU A 39 -7.063 -3.337 0.812 1.00 0.00 C ATOM 0 H LEU A 39 -3.799 -2.622 -0.385 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.665 0.167 -0.722 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.527 -0.122 0.702 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.700 -1.290 -0.594 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.228 -2.542 1.513 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.926 -2.447 3.333 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.200 -0.853 3.014 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.829 -1.227 2.402 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.122 -4.106 1.582 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.067 -2.991 0.567 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.594 -3.752 -0.080 1.00 0.00 H new ATOM 579 N VAL A 40 -3.768 0.567 1.682 1.00 0.00 N ATOM 580 CA VAL A 40 -3.124 0.858 2.957 1.00 0.00 C ATOM 581 C VAL A 40 -4.256 0.943 3.964 1.00 0.00 C ATOM 582 O VAL A 40 -5.271 1.603 3.709 1.00 0.00 O ATOM 583 CB VAL A 40 -2.281 2.147 2.861 1.00 0.00 C ATOM 584 CG1 VAL A 40 -1.750 2.679 4.197 1.00 0.00 C ATOM 585 CG2 VAL A 40 -1.070 1.867 1.969 1.00 0.00 C ATOM 0 H VAL A 40 -4.288 1.364 1.316 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.412 0.090 3.260 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.952 2.908 2.463 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.171 3.586 4.023 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.587 2.904 4.858 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.114 1.926 4.662 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.461 2.768 1.889 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.475 1.064 2.405 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.410 1.569 0.977 1.00 0.00 H new ATOM 595 N ARG A 41 -4.099 0.206 5.062 1.00 0.00 N ATOM 596 CA ARG A 41 -5.017 0.205 6.181 1.00 0.00 C ATOM 597 C ARG A 41 -4.271 0.379 7.478 1.00 0.00 C ATOM 598 O ARG A 41 -3.055 0.256 7.513 1.00 0.00 O ATOM 599 CB ARG A 41 -5.860 -1.080 6.203 1.00 0.00 C ATOM 600 CG ARG A 41 -5.006 -2.337 6.433 1.00 0.00 C ATOM 601 CD ARG A 41 -5.792 -3.626 6.158 1.00 0.00 C ATOM 602 NE ARG A 41 -6.498 -4.075 7.363 1.00 0.00 N ATOM 603 CZ ARG A 41 -6.047 -4.898 8.315 1.00 0.00 C ATOM 604 NH1 ARG A 41 -4.948 -5.636 8.157 1.00 0.00 N ATOM 605 NH2 ARG A 41 -6.721 -4.956 9.454 1.00 0.00 N ATOM 0 H ARG A 41 -3.306 -0.421 5.194 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.697 1.048 6.061 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -6.611 -1.005 6.990 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -6.396 -1.176 5.259 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.129 -2.302 5.786 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.644 -2.346 7.461 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.508 -3.456 5.354 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.111 -4.407 5.818 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.445 -3.717 7.489 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.420 -5.584 7.286 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.635 -6.253 8.907 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.555 -4.384 9.583 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.406 -5.573 10.202 1.00 0.00 H new ATOM 619 N GLU A 42 -4.985 0.623 8.563 1.00 0.00 N ATOM 620 CA GLU A 42 -4.397 0.823 9.873 1.00 0.00 C ATOM 621 C GLU A 42 -4.635 -0.423 10.727 1.00 0.00 C ATOM 622 O GLU A 42 -5.649 -1.116 10.578 1.00 0.00 O ATOM 623 CB GLU A 42 -4.983 2.111 10.449 1.00 0.00 C ATOM 624 CG GLU A 42 -4.283 2.570 11.733 1.00 0.00 C ATOM 625 CD GLU A 42 -5.171 3.590 12.446 1.00 0.00 C ATOM 626 OE1 GLU A 42 -6.169 3.210 13.097 1.00 0.00 O ATOM 627 OE2 GLU A 42 -4.887 4.805 12.327 1.00 0.00 O ATOM 0 H GLU A 42 -6.003 0.688 8.557 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.315 0.949 9.836 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.912 2.901 9.702 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.043 1.961 10.654 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.092 1.717 12.384 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.315 3.013 11.497 1.00 0.00 H new ATOM 634 N SER A 43 -3.671 -0.718 11.600 1.00 0.00 N ATOM 635 CA SER A 43 -3.720 -1.767 12.604 1.00 0.00 C ATOM 636 C SER A 43 -4.871 -1.520 13.586 1.00 0.00 C ATOM 637 O SER A 43 -5.389 -0.409 13.687 1.00 0.00 O ATOM 638 CB SER A 43 -2.378 -1.741 13.340 1.00 0.00 C ATOM 639 OG SER A 43 -2.188 -2.882 14.148 1.00 0.00 O ATOM 0 H SER A 43 -2.792 -0.201 11.622 1.00 0.00 H new ATOM 0 HA SER A 43 -3.892 -2.738 12.140 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.569 -1.675 12.613 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.324 -0.846 13.960 1.00 0.00 H new ATOM 0 HG SER A 43 -1.319 -2.824 14.597 1.00 0.00 H new ATOM 645 N GLN A 44 -5.262 -2.553 14.335 1.00 0.00 N ATOM 646 CA GLN A 44 -6.313 -2.430 15.333 1.00 0.00 C ATOM 647 C GLN A 44 -5.789 -1.647 16.545 1.00 0.00 C ATOM 648 O GLN A 44 -5.063 -2.183 17.386 1.00 0.00 O ATOM 649 CB GLN A 44 -6.960 -3.792 15.654 1.00 0.00 C ATOM 650 CG GLN A 44 -6.026 -4.941 16.068 1.00 0.00 C ATOM 651 CD GLN A 44 -6.790 -6.259 16.215 1.00 0.00 C ATOM 652 OE1 GLN A 44 -6.881 -6.831 17.295 1.00 0.00 O ATOM 653 NE2 GLN A 44 -7.329 -6.809 15.134 1.00 0.00 N ATOM 0 H GLN A 44 -4.860 -3.488 14.264 1.00 0.00 H new ATOM 0 HA GLN A 44 -7.139 -1.842 14.933 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -7.683 -3.641 16.456 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -7.520 -4.114 14.776 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.238 -5.057 15.324 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.539 -4.694 17.012 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.257 -6.338 14.232 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.816 -7.703 15.205 1.00 0.00 H new ATOM 662 N GLY A 45 -6.117 -0.356 16.623 1.00 0.00 N ATOM 663 CA GLY A 45 -5.902 0.503 17.781 1.00 0.00 C ATOM 664 C GLY A 45 -4.459 0.945 17.993 1.00 0.00 C ATOM 665 O GLY A 45 -4.163 1.636 18.972 1.00 0.00 O ATOM 0 H GLY A 45 -6.558 0.137 15.846 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.527 1.390 17.678 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -6.240 -0.023 18.673 1.00 0.00 H new ATOM 669 N LYS A 46 -3.537 0.520 17.132 1.00 0.00 N ATOM 670 CA LYS A 46 -2.178 1.051 17.085 1.00 0.00 C ATOM 671 C LYS A 46 -2.200 2.261 16.152 1.00 0.00 C ATOM 672 O LYS A 46 -3.217 2.539 15.514 1.00 0.00 O ATOM 673 CB LYS A 46 -1.176 -0.023 16.609 1.00 0.00 C ATOM 674 CG LYS A 46 -1.416 -1.442 17.161 1.00 0.00 C ATOM 675 CD LYS A 46 -1.193 -1.543 18.677 1.00 0.00 C ATOM 676 CE LYS A 46 -1.869 -2.776 19.300 1.00 0.00 C ATOM 677 NZ LYS A 46 -3.325 -2.626 19.508 1.00 0.00 N ATOM 0 H LYS A 46 -3.715 -0.209 16.441 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.846 1.351 18.079 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.205 -0.065 15.520 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.171 0.292 16.889 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.436 -1.748 16.928 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.750 -2.140 16.654 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.123 -1.580 18.880 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.577 -0.643 19.157 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.692 -3.638 18.657 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.396 -2.991 20.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.678 -3.420 20.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.515 -1.731 20.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.809 -2.621 18.587 1.00 0.00 H new ATOM 691 N GLN A 47 -1.073 2.951 16.018 1.00 0.00 N ATOM 692 CA GLN A 47 -0.891 3.961 14.983 1.00 0.00 C ATOM 693 C GLN A 47 0.219 3.433 14.084 1.00 0.00 C ATOM 694 O GLN A 47 1.344 3.935 14.102 1.00 0.00 O ATOM 695 CB GLN A 47 -0.625 5.347 15.596 1.00 0.00 C ATOM 696 CG GLN A 47 -1.733 5.767 16.573 1.00 0.00 C ATOM 697 CD GLN A 47 -1.496 7.174 17.102 1.00 0.00 C ATOM 698 OE1 GLN A 47 -2.117 8.131 16.648 1.00 0.00 O ATOM 699 NE2 GLN A 47 -0.589 7.360 18.046 1.00 0.00 N ATOM 0 H GLN A 47 -0.261 2.826 16.623 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.788 4.121 14.385 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.332 5.335 16.117 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.545 6.086 14.799 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.700 5.722 16.072 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.773 5.065 17.406 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.074 6.564 18.422 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.404 8.299 18.398 1.00 0.00 H new ATOM 708 N GLU A 48 -0.061 2.328 13.398 1.00 0.00 N ATOM 709 CA GLU A 48 0.853 1.633 12.524 1.00 0.00 C ATOM 710 C GLU A 48 0.004 1.195 11.338 1.00 0.00 C ATOM 711 O GLU A 48 -1.099 0.666 11.531 1.00 0.00 O ATOM 712 CB GLU A 48 1.531 0.499 13.312 1.00 0.00 C ATOM 713 CG GLU A 48 1.851 -0.749 12.491 1.00 0.00 C ATOM 714 CD GLU A 48 2.868 -1.652 13.215 1.00 0.00 C ATOM 715 OE1 GLU A 48 4.046 -1.254 13.369 1.00 0.00 O ATOM 716 OE2 GLU A 48 2.512 -2.782 13.634 1.00 0.00 O ATOM 0 H GLU A 48 -0.976 1.880 13.445 1.00 0.00 H new ATOM 0 HA GLU A 48 1.682 2.233 12.149 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.456 0.879 13.745 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.884 0.215 14.142 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.934 -1.308 12.304 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.249 -0.455 11.520 1.00 0.00 H new ATOM 723 N TYR A 49 0.476 1.487 10.127 1.00 0.00 N ATOM 724 CA TYR A 49 -0.210 1.084 8.914 1.00 0.00 C ATOM 725 C TYR A 49 0.210 -0.324 8.509 1.00 0.00 C ATOM 726 O TYR A 49 1.263 -0.850 8.874 1.00 0.00 O ATOM 727 CB TYR A 49 -0.008 2.100 7.775 1.00 0.00 C ATOM 728 CG TYR A 49 -0.708 3.433 7.974 1.00 0.00 C ATOM 729 CD1 TYR A 49 -2.088 3.464 8.246 1.00 0.00 C ATOM 730 CD2 TYR A 49 -0.008 4.647 7.837 1.00 0.00 C ATOM 731 CE1 TYR A 49 -2.750 4.682 8.449 1.00 0.00 C ATOM 732 CE2 TYR A 49 -0.676 5.878 7.994 1.00 0.00 C ATOM 733 CZ TYR A 49 -2.051 5.899 8.320 1.00 0.00 C ATOM 734 OH TYR A 49 -2.717 7.072 8.505 1.00 0.00 O ATOM 0 H TYR A 49 1.339 2.006 9.966 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.280 1.067 9.120 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.060 2.282 7.655 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.362 1.656 6.845 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.643 2.539 8.299 1.00 0.00 H new ATOM 0 HD2 TYR A 49 1.048 4.635 7.610 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -3.799 4.688 8.705 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -0.137 6.805 7.865 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.098 7.822 8.383 1.00 0.00 H new ATOM 744 N VAL A 50 -0.648 -0.936 7.712 1.00 0.00 N ATOM 745 CA VAL A 50 -0.581 -2.288 7.232 1.00 0.00 C ATOM 746 C VAL A 50 -0.895 -2.185 5.759 1.00 0.00 C ATOM 747 O VAL A 50 -1.817 -1.493 5.325 1.00 0.00 O ATOM 748 CB VAL A 50 -1.586 -3.198 7.955 1.00 0.00 C ATOM 749 CG1 VAL A 50 -1.218 -4.675 7.768 1.00 0.00 C ATOM 750 CG2 VAL A 50 -1.690 -2.863 9.437 1.00 0.00 C ATOM 0 H VAL A 50 -1.474 -0.452 7.360 1.00 0.00 H new ATOM 0 HA VAL A 50 0.395 -2.736 7.416 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.563 -3.020 7.505 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.944 -5.300 8.289 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.224 -4.920 6.706 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.224 -4.857 8.176 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.411 -3.529 9.911 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.715 -2.989 9.908 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.019 -1.830 9.554 1.00 0.00 H new ATOM 760 N LEU A 51 -0.071 -2.851 4.985 1.00 0.00 N ATOM 761 CA LEU A 51 -0.353 -3.085 3.594 1.00 0.00 C ATOM 762 C LEU A 51 -1.367 -4.203 3.543 1.00 0.00 C ATOM 763 O LEU A 51 -1.266 -5.172 4.301 1.00 0.00 O ATOM 764 CB LEU A 51 0.935 -3.503 2.877 1.00 0.00 C ATOM 765 CG LEU A 51 0.778 -3.524 1.356 1.00 0.00 C ATOM 766 CD1 LEU A 51 0.462 -2.141 0.809 1.00 0.00 C ATOM 767 CD2 LEU A 51 2.091 -3.972 0.733 1.00 0.00 C ATOM 0 H LEU A 51 0.814 -3.245 5.305 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.737 -2.190 3.104 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.737 -2.816 3.147 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.234 -4.493 3.222 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.040 -4.202 1.113 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.357 -2.194 -0.275 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.469 -1.781 1.247 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.271 -1.456 1.062 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.991 -3.991 -0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.882 -3.276 1.013 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.342 -4.970 1.092 1.00 0.00 H new ATOM 779 N SER A 52 -2.280 -4.155 2.588 1.00 0.00 N ATOM 780 CA SER A 52 -2.923 -5.367 2.145 1.00 0.00 C ATOM 781 C SER A 52 -2.960 -5.353 0.627 1.00 0.00 C ATOM 782 O SER A 52 -3.569 -4.476 0.032 1.00 0.00 O ATOM 783 CB SER A 52 -4.281 -5.542 2.831 1.00 0.00 C ATOM 784 OG SER A 52 -4.311 -6.836 3.415 1.00 0.00 O ATOM 0 H SER A 52 -2.585 -3.304 2.116 1.00 0.00 H new ATOM 0 HA SER A 52 -2.362 -6.254 2.440 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.425 -4.776 3.593 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.090 -5.430 2.109 1.00 0.00 H new ATOM 0 HG SER A 52 -3.479 -7.309 3.205 1.00 0.00 H new ATOM 790 N VAL A 53 -2.269 -6.318 0.023 1.00 0.00 N ATOM 791 CA VAL A 53 -2.213 -6.587 -1.412 1.00 0.00 C ATOM 792 C VAL A 53 -2.593 -8.061 -1.636 1.00 0.00 C ATOM 793 O VAL A 53 -2.275 -8.898 -0.783 1.00 0.00 O ATOM 794 CB VAL A 53 -0.819 -6.174 -1.934 1.00 0.00 C ATOM 795 CG1 VAL A 53 0.334 -6.733 -1.085 1.00 0.00 C ATOM 796 CG2 VAL A 53 -0.603 -6.535 -3.410 1.00 0.00 C ATOM 0 H VAL A 53 -1.698 -6.974 0.556 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.928 -6.000 -1.989 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.805 -5.088 -1.844 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.286 -6.407 -1.504 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.243 -6.367 -0.062 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.291 -7.822 -1.086 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.394 -6.220 -3.719 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.699 -7.613 -3.539 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.350 -6.028 -4.022 1.00 0.00 H new ATOM 806 N LEU A 54 -3.347 -8.386 -2.692 1.00 0.00 N ATOM 807 CA LEU A 54 -3.773 -9.754 -3.008 1.00 0.00 C ATOM 808 C LEU A 54 -2.683 -10.380 -3.871 1.00 0.00 C ATOM 809 O LEU A 54 -2.428 -9.867 -4.962 1.00 0.00 O ATOM 810 CB LEU A 54 -5.114 -9.711 -3.763 1.00 0.00 C ATOM 811 CG LEU A 54 -5.843 -11.064 -3.932 1.00 0.00 C ATOM 812 CD1 LEU A 54 -6.181 -11.755 -2.616 1.00 0.00 C ATOM 813 CD2 LEU A 54 -7.092 -10.891 -4.777 1.00 0.00 C ATOM 0 H LEU A 54 -3.684 -7.695 -3.362 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.917 -10.345 -2.104 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.780 -9.025 -3.240 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.937 -9.291 -4.753 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.139 -11.722 -4.443 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.691 -12.697 -2.820 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.263 -11.952 -2.062 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.831 -11.111 -2.024 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -7.593 -11.853 -4.886 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.765 -10.184 -4.291 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.816 -10.512 -5.761 1.00 0.00 H new ATOM 825 N TRP A 55 -2.019 -11.433 -3.390 1.00 0.00 N ATOM 826 CA TRP A 55 -0.974 -12.119 -4.143 1.00 0.00 C ATOM 827 C TRP A 55 -1.125 -13.618 -3.961 1.00 0.00 C ATOM 828 O TRP A 55 -1.425 -14.063 -2.856 1.00 0.00 O ATOM 829 CB TRP A 55 0.412 -11.676 -3.664 1.00 0.00 C ATOM 830 CG TRP A 55 1.449 -11.713 -4.740 1.00 0.00 C ATOM 831 CD1 TRP A 55 2.489 -12.571 -4.826 1.00 0.00 C ATOM 832 CD2 TRP A 55 1.554 -10.841 -5.903 1.00 0.00 C ATOM 833 NE1 TRP A 55 3.218 -12.298 -5.968 1.00 0.00 N ATOM 834 CE2 TRP A 55 2.710 -11.213 -6.652 1.00 0.00 C ATOM 835 CE3 TRP A 55 0.816 -9.728 -6.354 1.00 0.00 C ATOM 836 CZ2 TRP A 55 3.145 -10.474 -7.766 1.00 0.00 C ATOM 837 CZ3 TRP A 55 1.220 -9.008 -7.489 1.00 0.00 C ATOM 838 CH2 TRP A 55 2.371 -9.391 -8.199 1.00 0.00 C ATOM 0 H TRP A 55 -2.193 -11.832 -2.467 1.00 0.00 H new ATOM 0 HA TRP A 55 -1.073 -11.865 -5.198 1.00 0.00 H new ATOM 0 HB2 TRP A 55 0.345 -10.663 -3.268 1.00 0.00 H new ATOM 0 HB3 TRP A 55 0.728 -12.319 -2.842 1.00 0.00 H new ATOM 0 HD1 TRP A 55 2.716 -13.350 -4.113 1.00 0.00 H new ATOM 0 HE1 TRP A 55 4.032 -12.834 -6.268 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.072 -9.425 -5.819 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 4.059 -10.737 -8.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 0.644 -8.156 -7.818 1.00 0.00 H new ATOM 0 HH2 TRP A 55 2.660 -8.846 -9.085 1.00 0.00 H new ATOM 849 N ASP A 56 -0.890 -14.398 -5.016 1.00 0.00 N ATOM 850 CA ASP A 56 -1.032 -15.857 -5.021 1.00 0.00 C ATOM 851 C ASP A 56 -2.428 -16.301 -4.538 1.00 0.00 C ATOM 852 O ASP A 56 -2.591 -17.408 -4.019 1.00 0.00 O ATOM 853 CB ASP A 56 0.094 -16.542 -4.215 1.00 0.00 C ATOM 854 CG ASP A 56 1.512 -16.094 -4.561 1.00 0.00 C ATOM 855 OD1 ASP A 56 1.937 -16.206 -5.736 1.00 0.00 O ATOM 856 OD2 ASP A 56 2.227 -15.643 -3.637 1.00 0.00 O ATOM 0 H ASP A 56 -0.587 -14.024 -5.916 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.934 -16.183 -6.056 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.078 -16.359 -3.154 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.024 -17.619 -4.368 1.00 0.00 H new ATOM 861 N GLY A 57 -3.445 -15.442 -4.656 1.00 0.00 N ATOM 862 CA GLY A 57 -4.797 -15.686 -4.168 1.00 0.00 C ATOM 863 C GLY A 57 -4.940 -15.520 -2.654 1.00 0.00 C ATOM 864 O GLY A 57 -5.943 -15.952 -2.087 1.00 0.00 O ATOM 0 H GLY A 57 -3.343 -14.533 -5.107 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.483 -15.002 -4.667 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.097 -16.697 -4.444 1.00 0.00 H new ATOM 868 N LEU A 58 -3.959 -14.930 -1.968 1.00 0.00 N ATOM 869 CA LEU A 58 -3.988 -14.680 -0.537 1.00 0.00 C ATOM 870 C LEU A 58 -3.774 -13.187 -0.315 1.00 0.00 C ATOM 871 O LEU A 58 -2.723 -12.662 -0.682 1.00 0.00 O ATOM 872 CB LEU A 58 -2.914 -15.494 0.201 1.00 0.00 C ATOM 873 CG LEU A 58 -3.055 -15.291 1.730 1.00 0.00 C ATOM 874 CD1 LEU A 58 -3.452 -16.589 2.433 1.00 0.00 C ATOM 875 CD2 LEU A 58 -1.791 -14.683 2.346 1.00 0.00 C ATOM 0 H LEU A 58 -3.100 -14.606 -2.412 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.952 -14.991 -0.134 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.014 -16.551 -0.045 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.922 -15.183 -0.126 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.862 -14.574 1.884 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.542 -16.410 3.504 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.408 -16.937 2.042 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.689 -17.347 2.255 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.933 -14.558 3.419 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.944 -15.346 2.167 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.595 -13.712 1.890 1.00 0.00 H new ATOM 887 N PRO A 59 -4.717 -12.479 0.319 1.00 0.00 N ATOM 888 CA PRO A 59 -4.513 -11.099 0.714 1.00 0.00 C ATOM 889 C PRO A 59 -3.426 -11.010 1.796 1.00 0.00 C ATOM 890 O PRO A 59 -3.723 -11.089 2.997 1.00 0.00 O ATOM 891 CB PRO A 59 -5.895 -10.582 1.124 1.00 0.00 C ATOM 892 CG PRO A 59 -6.637 -11.834 1.548 1.00 0.00 C ATOM 893 CD PRO A 59 -6.005 -12.975 0.775 1.00 0.00 C ATOM 0 HA PRO A 59 -4.130 -10.464 -0.085 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.827 -9.862 1.939 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.396 -10.081 0.296 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.549 -11.995 2.623 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -7.701 -11.752 1.324 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -5.884 -13.855 1.406 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.631 -13.271 -0.067 1.00 0.00 H new ATOM 901 N ARG A 60 -2.160 -10.864 1.377 1.00 0.00 N ATOM 902 CA ARG A 60 -1.005 -10.694 2.241 1.00 0.00 C ATOM 903 C ARG A 60 -1.167 -9.436 3.077 1.00 0.00 C ATOM 904 O ARG A 60 -1.858 -8.501 2.682 1.00 0.00 O ATOM 905 CB ARG A 60 0.267 -10.542 1.390 1.00 0.00 C ATOM 906 CG ARG A 60 0.620 -11.698 0.452 1.00 0.00 C ATOM 907 CD ARG A 60 1.072 -12.898 1.281 1.00 0.00 C ATOM 908 NE ARG A 60 2.512 -13.185 1.232 1.00 0.00 N ATOM 909 CZ ARG A 60 3.341 -13.250 2.284 1.00 0.00 C ATOM 910 NH1 ARG A 60 2.931 -12.969 3.516 1.00 0.00 N ATOM 911 NH2 ARG A 60 4.616 -13.564 2.130 1.00 0.00 N ATOM 0 H ARG A 60 -1.914 -10.862 0.387 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.924 -11.569 2.887 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.166 -9.638 0.790 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.109 -10.385 2.065 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.244 -11.966 -0.156 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.411 -11.396 -0.234 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.786 -12.730 2.319 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.530 -13.780 0.940 1.00 0.00 H new ATOM 0 HE ARG A 60 2.919 -13.350 0.312 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.962 -12.695 3.681 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.585 -13.027 4.297 1.00 0.00 H new ATOM 0 HH21 ARG A 60 4.984 -13.762 1.199 1.00 0.00 H new ATOM 0 HH22 ARG A 60 5.232 -13.609 2.942 1.00 0.00 H new ATOM 925 N HIS A 61 -0.482 -9.395 4.211 1.00 0.00 N ATOM 926 CA HIS A 61 -0.638 -8.351 5.208 1.00 0.00 C ATOM 927 C HIS A 61 0.716 -7.998 5.811 1.00 0.00 C ATOM 928 O HIS A 61 1.013 -8.293 6.971 1.00 0.00 O ATOM 929 CB HIS A 61 -1.667 -8.789 6.257 1.00 0.00 C ATOM 930 CG HIS A 61 -1.539 -10.224 6.711 1.00 0.00 C ATOM 931 ND1 HIS A 61 -0.724 -10.692 7.715 1.00 0.00 N ATOM 932 CD2 HIS A 61 -2.199 -11.295 6.177 1.00 0.00 C ATOM 933 CE1 HIS A 61 -0.878 -12.024 7.785 1.00 0.00 C ATOM 934 NE2 HIS A 61 -1.763 -12.438 6.858 1.00 0.00 N ATOM 0 H HIS A 61 0.210 -10.100 4.466 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.020 -7.441 4.745 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.577 -8.138 7.127 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.667 -8.640 5.849 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -2.924 -11.265 5.377 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.366 -12.670 8.483 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -2.059 -13.399 6.685 1.00 0.00 H new ATOM 942 N PHE A 62 1.579 -7.428 4.980 1.00 0.00 N ATOM 943 CA PHE A 62 2.863 -6.901 5.391 1.00 0.00 C ATOM 944 C PHE A 62 2.575 -5.595 6.129 1.00 0.00 C ATOM 945 O PHE A 62 1.790 -4.779 5.662 1.00 0.00 O ATOM 946 CB PHE A 62 3.760 -6.710 4.154 1.00 0.00 C ATOM 947 CG PHE A 62 3.801 -7.910 3.216 1.00 0.00 C ATOM 948 CD1 PHE A 62 4.560 -9.049 3.544 1.00 0.00 C ATOM 949 CD2 PHE A 62 3.033 -7.915 2.034 1.00 0.00 C ATOM 950 CE1 PHE A 62 4.586 -10.155 2.675 1.00 0.00 C ATOM 951 CE2 PHE A 62 3.088 -9.013 1.157 1.00 0.00 C ATOM 952 CZ PHE A 62 3.905 -10.119 1.447 1.00 0.00 C ATOM 0 H PHE A 62 1.397 -7.319 3.982 1.00 0.00 H new ATOM 0 HA PHE A 62 3.404 -7.576 6.054 1.00 0.00 H new ATOM 0 HB2 PHE A 62 3.410 -5.841 3.597 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.774 -6.489 4.486 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.124 -9.074 4.465 1.00 0.00 H new ATOM 0 HD2 PHE A 62 2.400 -7.072 1.801 1.00 0.00 H new ATOM 0 HE1 PHE A 62 5.136 -11.041 2.955 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.497 -9.006 0.253 1.00 0.00 H new ATOM 0 HZ PHE A 62 4.007 -10.927 0.738 1.00 0.00 H new ATOM 962 N ILE A 63 3.150 -5.405 7.308 1.00 0.00 N ATOM 963 CA ILE A 63 3.083 -4.120 8.004 1.00 0.00 C ATOM 964 C ILE A 63 3.828 -3.096 7.147 1.00 0.00 C ATOM 965 O ILE A 63 4.845 -3.431 6.525 1.00 0.00 O ATOM 966 CB ILE A 63 3.648 -4.298 9.428 1.00 0.00 C ATOM 967 CG1 ILE A 63 2.602 -5.044 10.283 1.00 0.00 C ATOM 968 CG2 ILE A 63 4.093 -2.995 10.112 1.00 0.00 C ATOM 969 CD1 ILE A 63 1.376 -4.211 10.676 1.00 0.00 C ATOM 0 H ILE A 63 3.671 -6.126 7.808 1.00 0.00 H new ATOM 0 HA ILE A 63 2.065 -3.753 8.132 1.00 0.00 H new ATOM 0 HB ILE A 63 4.565 -4.880 9.336 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.265 -5.923 9.733 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.086 -5.403 11.192 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.476 -3.219 11.108 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.877 -2.523 9.520 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.242 -2.318 10.194 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.699 -4.820 11.275 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.695 -3.346 11.257 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.861 -3.874 9.776 1.00 0.00 H new ATOM 981 N ILE A 64 3.298 -1.874 7.056 1.00 0.00 N ATOM 982 CA ILE A 64 3.979 -0.817 6.332 1.00 0.00 C ATOM 983 C ILE A 64 5.264 -0.524 7.105 1.00 0.00 C ATOM 984 O ILE A 64 5.324 -0.549 8.341 1.00 0.00 O ATOM 985 CB ILE A 64 3.092 0.434 6.124 1.00 0.00 C ATOM 986 CG1 ILE A 64 1.788 0.133 5.365 1.00 0.00 C ATOM 987 CG2 ILE A 64 3.824 1.577 5.400 1.00 0.00 C ATOM 988 CD1 ILE A 64 1.922 -0.105 3.866 1.00 0.00 C ATOM 0 H ILE A 64 2.408 -1.601 7.473 1.00 0.00 H new ATOM 0 HA ILE A 64 4.214 -1.134 5.316 1.00 0.00 H new ATOM 0 HB ILE A 64 2.846 0.753 7.137 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.327 -0.748 5.812 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.101 0.965 5.520 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.149 2.425 5.284 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.692 1.881 5.985 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.150 1.236 4.417 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.939 -0.307 3.440 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.347 0.781 3.394 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.576 -0.959 3.690 1.00 0.00 H new ATOM 1000 N GLN A 65 6.301 -0.261 6.327 1.00 0.00 N ATOM 1001 CA GLN A 65 7.624 0.165 6.745 1.00 0.00 C ATOM 1002 C GLN A 65 7.475 1.386 7.641 1.00 0.00 C ATOM 1003 O GLN A 65 6.462 2.082 7.585 1.00 0.00 O ATOM 1004 CB GLN A 65 8.472 0.502 5.492 1.00 0.00 C ATOM 1005 CG GLN A 65 8.216 -0.458 4.310 1.00 0.00 C ATOM 1006 CD GLN A 65 7.034 -0.071 3.433 1.00 0.00 C ATOM 1007 OE1 GLN A 65 5.971 -0.679 3.519 1.00 0.00 O ATOM 1008 NE2 GLN A 65 7.195 0.949 2.607 1.00 0.00 N ATOM 0 H GLN A 65 6.234 -0.346 5.313 1.00 0.00 H new ATOM 0 HA GLN A 65 8.128 -0.627 7.299 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.254 1.522 5.177 1.00 0.00 H new ATOM 0 HB3 GLN A 65 9.529 0.469 5.757 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.113 -0.502 3.692 1.00 0.00 H new ATOM 0 HG3 GLN A 65 8.050 -1.461 4.702 1.00 0.00 H new ATOM 0 HE21 GLN A 65 8.092 1.432 2.561 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.422 1.253 2.016 1.00 0.00 H new ATOM 1017 N SER A 66 8.505 1.702 8.411 1.00 0.00 N ATOM 1018 CA SER A 66 8.634 2.967 9.106 1.00 0.00 C ATOM 1019 C SER A 66 9.980 2.910 9.810 1.00 0.00 C ATOM 1020 O SER A 66 10.310 1.883 10.411 1.00 0.00 O ATOM 1021 CB SER A 66 7.517 3.152 10.144 1.00 0.00 C ATOM 1022 OG SER A 66 7.113 4.505 10.232 1.00 0.00 O ATOM 0 H SER A 66 9.290 1.070 8.571 1.00 0.00 H new ATOM 0 HA SER A 66 8.561 3.802 8.409 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.662 2.532 9.875 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.864 2.810 11.119 1.00 0.00 H new ATOM 0 HG SER A 66 6.400 4.591 10.899 1.00 0.00 H new ATOM 1028 N LEU A 67 10.729 3.999 9.741 1.00 0.00 N ATOM 1029 CA LEU A 67 11.932 4.217 10.524 1.00 0.00 C ATOM 1030 C LEU A 67 11.752 5.545 11.249 1.00 0.00 C ATOM 1031 O LEU A 67 10.807 5.679 12.025 1.00 0.00 O ATOM 1032 CB LEU A 67 13.217 4.078 9.679 1.00 0.00 C ATOM 1033 CG LEU A 67 13.236 4.756 8.292 1.00 0.00 C ATOM 1034 CD1 LEU A 67 14.680 5.101 7.932 1.00 0.00 C ATOM 1035 CD2 LEU A 67 12.689 3.834 7.192 1.00 0.00 C ATOM 0 H LEU A 67 10.509 4.778 9.120 1.00 0.00 H new ATOM 0 HA LEU A 67 12.073 3.440 11.275 1.00 0.00 H new ATOM 0 HB2 LEU A 67 14.047 4.479 10.261 1.00 0.00 H new ATOM 0 HB3 LEU A 67 13.412 3.015 9.536 1.00 0.00 H new ATOM 0 HG LEU A 67 12.606 5.644 8.350 1.00 0.00 H new ATOM 0 HD11 LEU A 67 14.706 5.581 6.954 1.00 0.00 H new ATOM 0 HD12 LEU A 67 15.089 5.780 8.680 1.00 0.00 H new ATOM 0 HD13 LEU A 67 15.276 4.189 7.905 1.00 0.00 H new ATOM 0 HD21 LEU A 67 12.721 4.352 6.234 1.00 0.00 H new ATOM 0 HD22 LEU A 67 13.298 2.932 7.137 1.00 0.00 H new ATOM 0 HD23 LEU A 67 11.659 3.563 7.423 1.00 0.00 H new ATOM 1047 N ASP A 68 12.621 6.517 10.987 1.00 0.00 N ATOM 1048 CA ASP A 68 12.651 7.800 11.674 1.00 0.00 C ATOM 1049 C ASP A 68 11.513 8.675 11.172 1.00 0.00 C ATOM 1050 O ASP A 68 10.639 9.080 11.931 1.00 0.00 O ATOM 1051 CB ASP A 68 13.989 8.484 11.392 1.00 0.00 C ATOM 1052 CG ASP A 68 15.140 7.717 12.015 1.00 0.00 C ATOM 1053 OD1 ASP A 68 15.328 7.791 13.247 1.00 0.00 O ATOM 1054 OD2 ASP A 68 15.842 7.039 11.231 1.00 0.00 O ATOM 0 H ASP A 68 13.342 6.429 10.271 1.00 0.00 H new ATOM 0 HA ASP A 68 12.536 7.646 12.747 1.00 0.00 H new ATOM 0 HB2 ASP A 68 14.141 8.562 10.315 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.971 9.500 11.785 1.00 0.00 H new ATOM 1059 N ASN A 69 11.525 8.965 9.871 1.00 0.00 N ATOM 1060 CA ASN A 69 10.518 9.766 9.188 1.00 0.00 C ATOM 1061 C ASN A 69 10.286 9.271 7.755 1.00 0.00 C ATOM 1062 O ASN A 69 9.634 9.947 6.958 1.00 0.00 O ATOM 1063 CB ASN A 69 10.935 11.245 9.216 1.00 0.00 C ATOM 1064 CG ASN A 69 9.721 12.153 9.328 1.00 0.00 C ATOM 1065 OD1 ASN A 69 9.454 12.699 10.394 1.00 0.00 O ATOM 1066 ND2 ASN A 69 8.978 12.373 8.263 1.00 0.00 N ATOM 0 H ASN A 69 12.261 8.637 9.246 1.00 0.00 H new ATOM 0 HA ASN A 69 9.568 9.661 9.712 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.604 11.422 10.058 1.00 0.00 H new ATOM 0 HB3 ASN A 69 11.492 11.487 8.310 1.00 0.00 H new ATOM 0 HD21 ASN A 69 8.176 13.000 8.322 1.00 0.00 H new ATOM 0 HD22 ASN A 69 9.205 11.916 7.380 1.00 0.00 H new ATOM 1073 N LEU A 70 10.881 8.128 7.393 1.00 0.00 N ATOM 1074 CA LEU A 70 10.806 7.540 6.060 1.00 0.00 C ATOM 1075 C LEU A 70 10.179 6.152 6.168 1.00 0.00 C ATOM 1076 O LEU A 70 9.959 5.631 7.268 1.00 0.00 O ATOM 1077 CB LEU A 70 12.189 7.435 5.376 1.00 0.00 C ATOM 1078 CG LEU A 70 13.122 8.664 5.454 1.00 0.00 C ATOM 1079 CD1 LEU A 70 14.557 8.233 5.750 1.00 0.00 C ATOM 1080 CD2 LEU A 70 13.099 9.457 4.150 1.00 0.00 C ATOM 0 H LEU A 70 11.442 7.575 8.041 1.00 0.00 H new ATOM 0 HA LEU A 70 10.194 8.196 5.440 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.715 6.586 5.812 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.026 7.203 4.323 1.00 0.00 H new ATOM 0 HG LEU A 70 12.758 9.298 6.262 1.00 0.00 H new ATOM 0 HD11 LEU A 70 15.198 9.113 5.801 1.00 0.00 H new ATOM 0 HD12 LEU A 70 14.589 7.705 6.703 1.00 0.00 H new ATOM 0 HD13 LEU A 70 14.909 7.573 4.958 1.00 0.00 H new ATOM 0 HD21 LEU A 70 13.765 10.316 4.235 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.431 8.820 3.331 1.00 0.00 H new ATOM 0 HD23 LEU A 70 12.084 9.803 3.952 1.00 0.00 H new ATOM 1092 N TYR A 71 9.968 5.521 5.020 1.00 0.00 N ATOM 1093 CA TYR A 71 9.395 4.194 4.846 1.00 0.00 C ATOM 1094 C TYR A 71 10.289 3.517 3.815 1.00 0.00 C ATOM 1095 O TYR A 71 10.544 4.155 2.800 1.00 0.00 O ATOM 1096 CB TYR A 71 7.967 4.360 4.295 1.00 0.00 C ATOM 1097 CG TYR A 71 7.162 5.407 5.038 1.00 0.00 C ATOM 1098 CD1 TYR A 71 6.547 5.072 6.247 1.00 0.00 C ATOM 1099 CD2 TYR A 71 7.104 6.736 4.585 1.00 0.00 C ATOM 1100 CE1 TYR A 71 5.815 6.012 6.977 1.00 0.00 C ATOM 1101 CE2 TYR A 71 6.394 7.700 5.321 1.00 0.00 C ATOM 1102 CZ TYR A 71 5.694 7.328 6.488 1.00 0.00 C ATOM 1103 OH TYR A 71 4.882 8.228 7.107 1.00 0.00 O ATOM 0 H TYR A 71 10.209 5.952 4.127 1.00 0.00 H new ATOM 0 HA TYR A 71 9.342 3.615 5.768 1.00 0.00 H new ATOM 0 HB2 TYR A 71 8.020 4.631 3.241 1.00 0.00 H new ATOM 0 HB3 TYR A 71 7.448 3.403 4.352 1.00 0.00 H new ATOM 0 HD1 TYR A 71 6.639 4.065 6.625 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.605 7.017 3.671 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.346 5.732 7.909 1.00 0.00 H new ATOM 0 HE2 TYR A 71 6.384 8.729 4.992 1.00 0.00 H new ATOM 0 HH TYR A 71 4.923 9.085 6.634 1.00 0.00 H new ATOM 1113 N ARG A 72 10.792 2.294 4.039 1.00 0.00 N ATOM 1114 CA ARG A 72 11.735 1.630 3.127 1.00 0.00 C ATOM 1115 C ARG A 72 11.486 0.129 3.091 1.00 0.00 C ATOM 1116 O ARG A 72 11.355 -0.444 4.171 1.00 0.00 O ATOM 1117 CB ARG A 72 13.173 1.938 3.570 1.00 0.00 C ATOM 1118 CG ARG A 72 13.709 1.336 4.881 1.00 0.00 C ATOM 1119 CD ARG A 72 14.240 -0.097 4.717 1.00 0.00 C ATOM 1120 NE ARG A 72 15.639 -0.239 5.154 1.00 0.00 N ATOM 1121 CZ ARG A 72 16.665 -0.715 4.438 1.00 0.00 C ATOM 1122 NH1 ARG A 72 16.554 -0.926 3.137 1.00 0.00 N ATOM 1123 NH2 ARG A 72 17.811 -1.019 5.033 1.00 0.00 N ATOM 0 H ARG A 72 10.556 1.736 4.860 1.00 0.00 H new ATOM 0 HA ARG A 72 11.585 2.011 2.117 1.00 0.00 H new ATOM 0 HB2 ARG A 72 13.837 1.617 2.768 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.266 3.021 3.646 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.508 1.971 5.265 1.00 0.00 H new ATOM 0 HG3 ARG A 72 12.914 1.339 5.626 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.614 -0.780 5.291 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.159 -0.393 3.671 1.00 0.00 H new ATOM 0 HE ARG A 72 15.849 0.058 6.107 1.00 0.00 H new ATOM 0 HH11 ARG A 72 15.674 -0.725 2.661 1.00 0.00 H new ATOM 0 HH12 ARG A 72 17.348 -1.289 2.610 1.00 0.00 H new ATOM 0 HH21 ARG A 72 17.913 -0.890 6.040 1.00 0.00 H new ATOM 0 HH22 ARG A 72 18.590 -1.381 4.484 1.00 0.00 H new ATOM 1137 N LEU A 73 11.350 -0.493 1.910 1.00 0.00 N ATOM 1138 CA LEU A 73 10.868 -1.880 1.802 1.00 0.00 C ATOM 1139 C LEU A 73 11.933 -2.825 1.256 1.00 0.00 C ATOM 1140 O LEU A 73 12.422 -3.663 2.018 1.00 0.00 O ATOM 1141 CB LEU A 73 9.520 -1.964 1.048 1.00 0.00 C ATOM 1142 CG LEU A 73 8.747 -3.273 1.202 1.00 0.00 C ATOM 1143 CD1 LEU A 73 8.686 -3.853 2.610 1.00 0.00 C ATOM 1144 CD2 LEU A 73 7.314 -3.017 0.742 1.00 0.00 C ATOM 0 H LEU A 73 11.567 -0.057 1.014 1.00 0.00 H new ATOM 0 HA LEU A 73 10.666 -2.231 2.814 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.884 -1.147 1.389 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.709 -1.799 -0.013 1.00 0.00 H new ATOM 0 HG LEU A 73 9.287 -4.009 0.606 1.00 0.00 H new ATOM 0 HD11 LEU A 73 8.113 -4.780 2.597 1.00 0.00 H new ATOM 0 HD12 LEU A 73 9.697 -4.056 2.964 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.205 -3.138 3.277 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.732 -3.933 0.839 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.868 -2.237 1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.318 -2.698 -0.300 1.00 0.00 H new ATOM 1156 N GLU A 74 12.285 -2.716 -0.029 1.00 0.00 N ATOM 1157 CA GLU A 74 13.374 -3.493 -0.617 1.00 0.00 C ATOM 1158 C GLU A 74 14.683 -2.724 -0.401 1.00 0.00 C ATOM 1159 O GLU A 74 15.642 -3.255 0.175 1.00 0.00 O ATOM 1160 CB GLU A 74 13.122 -3.739 -2.120 1.00 0.00 C ATOM 1161 CG GLU A 74 14.146 -4.715 -2.720 1.00 0.00 C ATOM 1162 CD GLU A 74 14.358 -4.484 -4.219 1.00 0.00 C ATOM 1163 OE1 GLU A 74 13.597 -5.030 -5.040 1.00 0.00 O ATOM 1164 OE2 GLU A 74 15.343 -3.793 -4.575 1.00 0.00 O ATOM 0 H GLU A 74 11.823 -2.088 -0.687 1.00 0.00 H new ATOM 0 HA GLU A 74 13.435 -4.469 -0.136 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.117 -4.136 -2.259 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.167 -2.791 -2.656 1.00 0.00 H new ATOM 0 HG2 GLU A 74 15.097 -4.606 -2.199 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.809 -5.738 -2.556 1.00 0.00 H new ATOM 1171 N GLY A 75 14.708 -1.472 -0.868 1.00 0.00 N ATOM 1172 CA GLY A 75 15.869 -0.603 -0.941 1.00 0.00 C ATOM 1173 C GLY A 75 15.701 0.607 -0.031 1.00 0.00 C ATOM 1174 O GLY A 75 15.299 0.454 1.125 1.00 0.00 O ATOM 0 H GLY A 75 13.866 -1.019 -1.224 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.762 -1.158 -0.654 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.016 -0.272 -1.969 1.00 0.00 H new ATOM 1178 N GLU A 76 16.079 1.787 -0.527 1.00 0.00 N ATOM 1179 CA GLU A 76 16.076 3.055 0.206 1.00 0.00 C ATOM 1180 C GLU A 76 14.667 3.483 0.642 1.00 0.00 C ATOM 1181 O GLU A 76 13.671 2.863 0.251 1.00 0.00 O ATOM 1182 CB GLU A 76 16.741 4.142 -0.654 1.00 0.00 C ATOM 1183 CG GLU A 76 15.863 4.610 -1.823 1.00 0.00 C ATOM 1184 CD GLU A 76 16.656 5.519 -2.755 1.00 0.00 C ATOM 1185 OE1 GLU A 76 16.939 6.678 -2.378 1.00 0.00 O ATOM 1186 OE2 GLU A 76 17.001 5.048 -3.862 1.00 0.00 O ATOM 0 H GLU A 76 16.408 1.890 -1.487 1.00 0.00 H new ATOM 0 HA GLU A 76 16.647 2.913 1.124 1.00 0.00 H new ATOM 0 HB2 GLU A 76 16.982 4.998 -0.024 1.00 0.00 H new ATOM 0 HB3 GLU A 76 17.683 3.760 -1.046 1.00 0.00 H new ATOM 0 HG2 GLU A 76 15.492 3.747 -2.376 1.00 0.00 H new ATOM 0 HG3 GLU A 76 14.992 5.142 -1.441 1.00 0.00 H new ATOM 1193 N GLY A 77 14.585 4.547 1.445 1.00 0.00 N ATOM 1194 CA GLY A 77 13.327 5.052 1.966 1.00 0.00 C ATOM 1195 C GLY A 77 12.854 6.320 1.273 1.00 0.00 C ATOM 1196 O GLY A 77 13.648 7.007 0.626 1.00 0.00 O ATOM 0 H GLY A 77 15.399 5.081 1.750 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.563 4.282 1.860 1.00 0.00 H new ATOM 0 HA3 GLY A 77 13.436 5.248 3.033 1.00 0.00 H new ATOM 1200 N PHE A 78 11.577 6.663 1.455 1.00 0.00 N ATOM 1201 CA PHE A 78 11.012 7.945 1.036 1.00 0.00 C ATOM 1202 C PHE A 78 10.270 8.576 2.210 1.00 0.00 C ATOM 1203 O PHE A 78 9.803 7.847 3.085 1.00 0.00 O ATOM 1204 CB PHE A 78 10.094 7.803 -0.190 1.00 0.00 C ATOM 1205 CG PHE A 78 10.859 7.774 -1.500 1.00 0.00 C ATOM 1206 CD1 PHE A 78 11.624 6.651 -1.865 1.00 0.00 C ATOM 1207 CD2 PHE A 78 10.829 8.897 -2.348 1.00 0.00 C ATOM 1208 CE1 PHE A 78 12.316 6.628 -3.089 1.00 0.00 C ATOM 1209 CE2 PHE A 78 11.514 8.873 -3.575 1.00 0.00 C ATOM 1210 CZ PHE A 78 12.249 7.734 -3.952 1.00 0.00 C ATOM 0 H PHE A 78 10.898 6.049 1.904 1.00 0.00 H new ATOM 0 HA PHE A 78 11.831 8.597 0.732 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.510 6.888 -0.096 1.00 0.00 H new ATOM 0 HB3 PHE A 78 9.387 8.632 -0.206 1.00 0.00 H new ATOM 0 HD1 PHE A 78 11.680 5.801 -1.201 1.00 0.00 H new ATOM 0 HD2 PHE A 78 10.279 9.779 -2.055 1.00 0.00 H new ATOM 0 HE1 PHE A 78 12.898 5.761 -3.365 1.00 0.00 H new ATOM 0 HE2 PHE A 78 11.476 9.731 -4.230 1.00 0.00 H new ATOM 0 HZ PHE A 78 12.761 7.710 -4.903 1.00 0.00 H new ATOM 1220 N PRO A 79 10.136 9.912 2.222 1.00 0.00 N ATOM 1221 CA PRO A 79 9.528 10.684 3.308 1.00 0.00 C ATOM 1222 C PRO A 79 8.017 10.492 3.450 1.00 0.00 C ATOM 1223 O PRO A 79 7.444 10.893 4.469 1.00 0.00 O ATOM 1224 CB PRO A 79 9.846 12.143 2.971 1.00 0.00 C ATOM 1225 CG PRO A 79 10.010 12.135 1.455 1.00 0.00 C ATOM 1226 CD PRO A 79 10.682 10.805 1.211 1.00 0.00 C ATOM 0 HA PRO A 79 9.930 10.353 4.265 1.00 0.00 H new ATOM 0 HB2 PRO A 79 9.043 12.811 3.284 1.00 0.00 H new ATOM 0 HB3 PRO A 79 10.754 12.481 3.470 1.00 0.00 H new ATOM 0 HG2 PRO A 79 9.051 12.206 0.942 1.00 0.00 H new ATOM 0 HG3 PRO A 79 10.620 12.969 1.108 1.00 0.00 H new ATOM 0 HD2 PRO A 79 10.474 10.437 0.206 1.00 0.00 H new ATOM 0 HD3 PRO A 79 11.765 10.888 1.302 1.00 0.00 H new ATOM 1234 N SER A 80 7.360 9.899 2.455 1.00 0.00 N ATOM 1235 CA SER A 80 5.928 9.663 2.438 1.00 0.00 C ATOM 1236 C SER A 80 5.727 8.240 1.933 1.00 0.00 C ATOM 1237 O SER A 80 6.543 7.739 1.157 1.00 0.00 O ATOM 1238 CB SER A 80 5.242 10.704 1.556 1.00 0.00 C ATOM 1239 OG SER A 80 5.737 12.010 1.790 1.00 0.00 O ATOM 0 H SER A 80 7.829 9.561 1.615 1.00 0.00 H new ATOM 0 HA SER A 80 5.481 9.762 3.427 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.389 10.444 0.508 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.168 10.685 1.742 1.00 0.00 H new ATOM 0 HG SER A 80 5.170 12.662 1.328 1.00 0.00 H new ATOM 1245 N ILE A 81 4.664 7.579 2.386 1.00 0.00 N ATOM 1246 CA ILE A 81 4.241 6.305 1.822 1.00 0.00 C ATOM 1247 C ILE A 81 3.852 6.546 0.361 1.00 0.00 C ATOM 1248 O ILE A 81 4.338 5.802 -0.486 1.00 0.00 O ATOM 1249 CB ILE A 81 3.122 5.649 2.671 1.00 0.00 C ATOM 1250 CG1 ILE A 81 3.696 5.228 4.041 1.00 0.00 C ATOM 1251 CG2 ILE A 81 2.511 4.421 1.969 1.00 0.00 C ATOM 1252 CD1 ILE A 81 2.651 5.048 5.144 1.00 0.00 C ATOM 0 H ILE A 81 4.076 7.912 3.150 1.00 0.00 H new ATOM 0 HA ILE A 81 5.056 5.581 1.845 1.00 0.00 H new ATOM 0 HB ILE A 81 2.329 6.385 2.803 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.241 4.292 3.919 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.419 5.978 4.363 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.731 3.992 2.599 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.081 4.724 1.015 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.288 3.676 1.796 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.146 4.752 6.069 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.121 5.988 5.300 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.941 4.275 4.850 1.00 0.00 H new ATOM 1264 N PRO A 82 3.038 7.567 0.011 1.00 0.00 N ATOM 1265 CA PRO A 82 2.590 7.726 -1.367 1.00 0.00 C ATOM 1266 C PRO A 82 3.751 7.959 -2.337 1.00 0.00 C ATOM 1267 O PRO A 82 3.689 7.512 -3.478 1.00 0.00 O ATOM 1268 CB PRO A 82 1.563 8.863 -1.356 1.00 0.00 C ATOM 1269 CG PRO A 82 1.854 9.625 -0.072 1.00 0.00 C ATOM 1270 CD PRO A 82 2.376 8.551 0.860 1.00 0.00 C ATOM 0 HA PRO A 82 2.129 6.811 -1.739 1.00 0.00 H new ATOM 0 HB2 PRO A 82 1.671 9.504 -2.231 1.00 0.00 H new ATOM 0 HB3 PRO A 82 0.544 8.477 -1.367 1.00 0.00 H new ATOM 0 HG2 PRO A 82 2.590 10.413 -0.230 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.958 10.101 0.325 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.072 8.970 1.587 1.00 0.00 H new ATOM 0 HD3 PRO A 82 1.562 8.095 1.424 1.00 0.00 H new ATOM 1278 N LEU A 83 4.844 8.570 -1.875 1.00 0.00 N ATOM 1279 CA LEU A 83 6.067 8.836 -2.632 1.00 0.00 C ATOM 1280 C LEU A 83 6.989 7.614 -2.701 1.00 0.00 C ATOM 1281 O LEU A 83 8.062 7.713 -3.284 1.00 0.00 O ATOM 1282 CB LEU A 83 6.841 9.978 -1.953 1.00 0.00 C ATOM 1283 CG LEU A 83 6.346 11.391 -2.292 1.00 0.00 C ATOM 1284 CD1 LEU A 83 4.966 11.787 -1.775 1.00 0.00 C ATOM 1285 CD2 LEU A 83 7.365 12.389 -1.752 1.00 0.00 C ATOM 0 H LEU A 83 4.902 8.909 -0.915 1.00 0.00 H new ATOM 0 HA LEU A 83 5.768 9.099 -3.647 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.788 9.840 -0.873 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.892 9.901 -2.233 1.00 0.00 H new ATOM 0 HG LEU A 83 6.244 11.399 -3.377 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.740 12.807 -2.085 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.216 11.110 -2.184 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.954 11.727 -0.687 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.037 13.403 -1.980 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.454 12.270 -0.672 1.00 0.00 H new ATOM 0 HD23 LEU A 83 8.334 12.208 -2.218 1.00 0.00 H new ATOM 1297 N LEU A 84 6.559 6.453 -2.208 1.00 0.00 N ATOM 1298 CA LEU A 84 7.217 5.182 -2.494 1.00 0.00 C ATOM 1299 C LEU A 84 6.394 4.258 -3.381 1.00 0.00 C ATOM 1300 O LEU A 84 6.969 3.417 -4.072 1.00 0.00 O ATOM 1301 CB LEU A 84 7.515 4.510 -1.156 1.00 0.00 C ATOM 1302 CG LEU A 84 8.497 3.327 -1.186 1.00 0.00 C ATOM 1303 CD1 LEU A 84 9.693 3.507 -2.128 1.00 0.00 C ATOM 1304 CD2 LEU A 84 9.012 3.159 0.249 1.00 0.00 C ATOM 0 H LEU A 84 5.745 6.369 -1.599 1.00 0.00 H new ATOM 0 HA LEU A 84 8.129 5.384 -3.055 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.910 5.264 -0.476 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.573 4.161 -0.732 1.00 0.00 H new ATOM 0 HG LEU A 84 7.963 2.457 -1.567 1.00 0.00 H new ATOM 0 HD11 LEU A 84 10.329 2.623 -2.082 1.00 0.00 H new ATOM 0 HD12 LEU A 84 9.335 3.643 -3.148 1.00 0.00 H new ATOM 0 HD13 LEU A 84 10.267 4.383 -1.825 1.00 0.00 H new ATOM 0 HD21 LEU A 84 9.717 2.329 0.288 1.00 0.00 H new ATOM 0 HD22 LEU A 84 9.512 4.074 0.566 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.174 2.955 0.915 1.00 0.00 H new ATOM 1316 N ILE A 85 5.067 4.404 -3.386 1.00 0.00 N ATOM 1317 CA ILE A 85 4.185 3.539 -4.162 1.00 0.00 C ATOM 1318 C ILE A 85 4.581 3.556 -5.628 1.00 0.00 C ATOM 1319 O ILE A 85 4.639 2.509 -6.250 1.00 0.00 O ATOM 1320 CB ILE A 85 2.705 3.936 -3.974 1.00 0.00 C ATOM 1321 CG1 ILE A 85 2.332 3.918 -2.484 1.00 0.00 C ATOM 1322 CG2 ILE A 85 1.744 3.029 -4.762 1.00 0.00 C ATOM 1323 CD1 ILE A 85 2.655 2.626 -1.737 1.00 0.00 C ATOM 0 H ILE A 85 4.578 5.123 -2.853 1.00 0.00 H new ATOM 0 HA ILE A 85 4.295 2.519 -3.793 1.00 0.00 H new ATOM 0 HB ILE A 85 2.598 4.946 -4.369 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.848 4.741 -1.989 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.263 4.111 -2.393 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.717 3.353 -4.593 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.974 3.092 -5.826 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.859 1.998 -4.426 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.351 2.723 -0.695 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.118 1.796 -2.196 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.727 2.436 -1.786 1.00 0.00 H new ATOM 1335 N ASP A 86 4.778 4.733 -6.200 1.00 0.00 N ATOM 1336 CA ASP A 86 4.996 4.956 -7.624 1.00 0.00 C ATOM 1337 C ASP A 86 6.310 4.319 -8.041 1.00 0.00 C ATOM 1338 O ASP A 86 6.387 3.640 -9.066 1.00 0.00 O ATOM 1339 CB ASP A 86 5.026 6.465 -7.896 1.00 0.00 C ATOM 1340 CG ASP A 86 4.937 6.806 -9.378 1.00 0.00 C ATOM 1341 OD1 ASP A 86 4.124 6.194 -10.113 1.00 0.00 O ATOM 1342 OD2 ASP A 86 5.647 7.753 -9.790 1.00 0.00 O ATOM 0 H ASP A 86 4.791 5.599 -5.662 1.00 0.00 H new ATOM 0 HA ASP A 86 4.189 4.504 -8.200 1.00 0.00 H new ATOM 0 HB2 ASP A 86 4.198 6.940 -7.370 1.00 0.00 H new ATOM 0 HB3 ASP A 86 5.946 6.884 -7.487 1.00 0.00 H new ATOM 1347 N HIS A 87 7.330 4.487 -7.197 1.00 0.00 N ATOM 1348 CA HIS A 87 8.638 3.903 -7.421 1.00 0.00 C ATOM 1349 C HIS A 87 8.615 2.382 -7.245 1.00 0.00 C ATOM 1350 O HIS A 87 9.579 1.740 -7.646 1.00 0.00 O ATOM 1351 CB HIS A 87 9.710 4.515 -6.510 1.00 0.00 C ATOM 1352 CG HIS A 87 9.871 6.009 -6.651 1.00 0.00 C ATOM 1353 ND1 HIS A 87 10.897 6.661 -7.299 1.00 0.00 N ATOM 1354 CD2 HIS A 87 9.020 6.963 -6.168 1.00 0.00 C ATOM 1355 CE1 HIS A 87 10.651 7.979 -7.225 1.00 0.00 C ATOM 1356 NE2 HIS A 87 9.505 8.212 -6.565 1.00 0.00 N ATOM 0 H HIS A 87 7.264 5.035 -6.339 1.00 0.00 H new ATOM 0 HA HIS A 87 8.899 4.132 -8.454 1.00 0.00 H new ATOM 0 HB2 HIS A 87 9.463 4.285 -5.474 1.00 0.00 H new ATOM 0 HB3 HIS A 87 10.666 4.037 -6.723 1.00 0.00 H new ATOM 0 HD2 HIS A 87 8.130 6.783 -5.583 1.00 0.00 H new ATOM 0 HE1 HIS A 87 11.288 8.747 -7.640 1.00 0.00 H new ATOM 0 HE2 HIS A 87 9.074 9.120 -6.389 1.00 0.00 H new ATOM 1364 N LEU A 88 7.546 1.766 -6.721 1.00 0.00 N ATOM 1365 CA LEU A 88 7.334 0.327 -6.747 1.00 0.00 C ATOM 1366 C LEU A 88 6.372 -0.101 -7.857 1.00 0.00 C ATOM 1367 O LEU A 88 6.509 -1.191 -8.410 1.00 0.00 O ATOM 1368 CB LEU A 88 6.777 -0.073 -5.383 1.00 0.00 C ATOM 1369 CG LEU A 88 7.808 -0.051 -4.240 1.00 0.00 C ATOM 1370 CD1 LEU A 88 7.734 -1.413 -3.542 1.00 0.00 C ATOM 1371 CD2 LEU A 88 9.282 0.256 -4.554 1.00 0.00 C ATOM 0 H LEU A 88 6.792 2.274 -6.258 1.00 0.00 H new ATOM 0 HA LEU A 88 8.280 -0.172 -6.954 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.957 0.599 -5.128 1.00 0.00 H new ATOM 0 HB3 LEU A 88 6.356 -1.076 -5.456 1.00 0.00 H new ATOM 0 HG LEU A 88 7.514 0.810 -3.639 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.451 -1.441 -2.722 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.729 -1.567 -3.150 1.00 0.00 H new ATOM 0 HD13 LEU A 88 7.969 -2.201 -4.257 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.864 0.229 -3.632 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.669 -0.489 -5.249 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.360 1.246 -5.003 1.00 0.00 H new ATOM 1383 N LEU A 89 5.390 0.732 -8.190 1.00 0.00 N ATOM 1384 CA LEU A 89 4.336 0.425 -9.147 1.00 0.00 C ATOM 1385 C LEU A 89 4.885 0.480 -10.557 1.00 0.00 C ATOM 1386 O LEU A 89 4.570 -0.380 -11.375 1.00 0.00 O ATOM 1387 CB LEU A 89 3.164 1.403 -8.973 1.00 0.00 C ATOM 1388 CG LEU A 89 1.808 0.705 -9.130 1.00 0.00 C ATOM 1389 CD1 LEU A 89 0.821 1.304 -8.140 1.00 0.00 C ATOM 1390 CD2 LEU A 89 1.230 0.773 -10.528 1.00 0.00 C ATOM 0 H LEU A 89 5.305 1.666 -7.789 1.00 0.00 H new ATOM 0 HA LEU A 89 3.967 -0.584 -8.963 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.222 1.867 -7.988 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.247 2.204 -9.708 1.00 0.00 H new ATOM 0 HG LEU A 89 1.981 -0.352 -8.929 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.146 0.812 -8.247 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.191 1.160 -7.125 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.709 2.370 -8.338 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.271 0.255 -10.551 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.086 1.815 -10.812 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.916 0.297 -11.229 1.00 0.00 H new ATOM 1402 N SER A 90 5.723 1.467 -10.854 1.00 0.00 N ATOM 1403 CA SER A 90 6.244 1.614 -12.199 1.00 0.00 C ATOM 1404 C SER A 90 7.316 0.559 -12.458 1.00 0.00 C ATOM 1405 O SER A 90 7.575 0.206 -13.602 1.00 0.00 O ATOM 1406 CB SER A 90 6.824 3.021 -12.413 1.00 0.00 C ATOM 1407 OG SER A 90 6.946 3.295 -13.799 1.00 0.00 O ATOM 0 H SER A 90 6.050 2.167 -10.188 1.00 0.00 H new ATOM 0 HA SER A 90 5.424 1.474 -12.903 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.179 3.764 -11.944 1.00 0.00 H new ATOM 0 HB3 SER A 90 7.799 3.097 -11.933 1.00 0.00 H new ATOM 0 HG SER A 90 7.315 4.194 -13.923 1.00 0.00 H new ATOM 1413 N THR A 91 7.947 0.073 -11.395 1.00 0.00 N ATOM 1414 CA THR A 91 9.183 -0.688 -11.447 1.00 0.00 C ATOM 1415 C THR A 91 8.885 -2.169 -11.254 1.00 0.00 C ATOM 1416 O THR A 91 9.638 -3.015 -11.733 1.00 0.00 O ATOM 1417 CB THR A 91 10.098 -0.144 -10.348 1.00 0.00 C ATOM 1418 OG1 THR A 91 9.501 -0.394 -9.095 1.00 0.00 O ATOM 1419 CG2 THR A 91 10.314 1.372 -10.483 1.00 0.00 C ATOM 0 H THR A 91 7.599 0.204 -10.445 1.00 0.00 H new ATOM 0 HA THR A 91 9.676 -0.586 -12.414 1.00 0.00 H new ATOM 0 HB THR A 91 11.064 -0.641 -10.438 1.00 0.00 H new ATOM 0 HG1 THR A 91 9.287 0.457 -8.659 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.969 1.719 -9.684 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.772 1.590 -11.448 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.354 1.884 -10.413 1.00 0.00 H new ATOM 1427 N GLN A 92 7.724 -2.465 -10.645 1.00 0.00 N ATOM 1428 CA GLN A 92 7.259 -3.818 -10.352 1.00 0.00 C ATOM 1429 C GLN A 92 8.172 -4.469 -9.311 1.00 0.00 C ATOM 1430 O GLN A 92 8.443 -5.669 -9.377 1.00 0.00 O ATOM 1431 CB GLN A 92 7.101 -4.656 -11.645 1.00 0.00 C ATOM 1432 CG GLN A 92 6.276 -3.990 -12.760 1.00 0.00 C ATOM 1433 CD GLN A 92 4.802 -3.985 -12.405 1.00 0.00 C ATOM 1434 OE1 GLN A 92 4.022 -4.752 -12.956 1.00 0.00 O ATOM 1435 NE2 GLN A 92 4.380 -3.139 -11.484 1.00 0.00 N ATOM 0 H GLN A 92 7.070 -1.745 -10.337 1.00 0.00 H new ATOM 0 HA GLN A 92 6.261 -3.769 -9.916 1.00 0.00 H new ATOM 0 HB2 GLN A 92 8.093 -4.883 -12.035 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.634 -5.607 -11.388 1.00 0.00 H new ATOM 0 HG2 GLN A 92 6.622 -2.968 -12.914 1.00 0.00 H new ATOM 0 HG3 GLN A 92 6.427 -4.523 -13.699 1.00 0.00 H new ATOM 0 HE21 GLN A 92 5.040 -2.506 -11.033 1.00 0.00 H new ATOM 0 HE22 GLN A 92 3.394 -3.119 -11.224 1.00 0.00 H new ATOM 1444 N GLN A 93 8.673 -3.661 -8.373 1.00 0.00 N ATOM 1445 CA GLN A 93 9.607 -4.138 -7.366 1.00 0.00 C ATOM 1446 C GLN A 93 8.930 -5.129 -6.408 1.00 0.00 C ATOM 1447 O GLN A 93 7.787 -4.906 -5.994 1.00 0.00 O ATOM 1448 CB GLN A 93 10.204 -2.982 -6.555 1.00 0.00 C ATOM 1449 CG GLN A 93 11.610 -2.603 -7.024 1.00 0.00 C ATOM 1450 CD GLN A 93 12.119 -1.375 -6.274 1.00 0.00 C ATOM 1451 OE1 GLN A 93 12.393 -1.396 -5.070 1.00 0.00 O ATOM 1452 NE2 GLN A 93 12.251 -0.267 -6.975 1.00 0.00 N ATOM 0 H GLN A 93 8.442 -2.670 -8.295 1.00 0.00 H new ATOM 0 HA GLN A 93 10.411 -4.644 -7.900 1.00 0.00 H new ATOM 0 HB2 GLN A 93 9.552 -2.112 -6.633 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.238 -3.261 -5.502 1.00 0.00 H new ATOM 0 HG2 GLN A 93 12.290 -3.440 -6.864 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.599 -2.402 -8.095 1.00 0.00 H new ATOM 0 HE21 GLN A 93 12.022 -0.262 -7.969 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.583 0.586 -6.524 1.00 0.00 H new ATOM 1461 N PRO A 94 9.666 -6.164 -5.977 1.00 0.00 N ATOM 1462 CA PRO A 94 9.229 -7.131 -5.000 1.00 0.00 C ATOM 1463 C PRO A 94 9.213 -6.562 -3.578 1.00 0.00 C ATOM 1464 O PRO A 94 10.202 -6.050 -3.058 1.00 0.00 O ATOM 1465 CB PRO A 94 10.204 -8.291 -5.110 1.00 0.00 C ATOM 1466 CG PRO A 94 11.500 -7.625 -5.563 1.00 0.00 C ATOM 1467 CD PRO A 94 11.004 -6.474 -6.434 1.00 0.00 C ATOM 0 HA PRO A 94 8.201 -7.437 -5.196 1.00 0.00 H new ATOM 0 HB2 PRO A 94 10.328 -8.803 -4.156 1.00 0.00 H new ATOM 0 HB3 PRO A 94 9.863 -9.036 -5.829 1.00 0.00 H new ATOM 0 HG2 PRO A 94 12.088 -7.268 -4.717 1.00 0.00 H new ATOM 0 HG3 PRO A 94 12.133 -8.313 -6.124 1.00 0.00 H new ATOM 0 HD2 PRO A 94 11.657 -5.606 -6.340 1.00 0.00 H new ATOM 0 HD3 PRO A 94 10.999 -6.757 -7.487 1.00 0.00 H new ATOM 1475 N LEU A 95 8.089 -6.754 -2.899 1.00 0.00 N ATOM 1476 CA LEU A 95 7.845 -6.230 -1.552 1.00 0.00 C ATOM 1477 C LEU A 95 8.611 -6.998 -0.479 1.00 0.00 C ATOM 1478 O LEU A 95 8.935 -6.473 0.588 1.00 0.00 O ATOM 1479 CB LEU A 95 6.358 -6.308 -1.202 1.00 0.00 C ATOM 1480 CG LEU A 95 5.426 -5.535 -2.148 1.00 0.00 C ATOM 1481 CD1 LEU A 95 4.071 -5.416 -1.466 1.00 0.00 C ATOM 1482 CD2 LEU A 95 5.919 -4.150 -2.561 1.00 0.00 C ATOM 0 H LEU A 95 7.304 -7.288 -3.272 1.00 0.00 H new ATOM 0 HA LEU A 95 8.189 -5.196 -1.567 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.056 -7.355 -1.195 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.218 -5.929 -0.189 1.00 0.00 H new ATOM 0 HG LEU A 95 5.380 -6.101 -3.079 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.384 -4.871 -2.114 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.673 -6.412 -1.272 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.184 -4.880 -0.524 1.00 0.00 H new ATOM 0 HD21 LEU A 95 5.191 -3.688 -3.228 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.044 -3.529 -1.674 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.875 -4.243 -3.076 1.00 0.00 H new ATOM 1494 N THR A 96 8.844 -8.283 -0.708 1.00 0.00 N ATOM 1495 CA THR A 96 9.590 -9.124 0.203 1.00 0.00 C ATOM 1496 C THR A 96 10.156 -10.277 -0.605 1.00 0.00 C ATOM 1497 O THR A 96 9.567 -10.703 -1.605 1.00 0.00 O ATOM 1498 CB THR A 96 8.687 -9.610 1.354 1.00 0.00 C ATOM 1499 OG1 THR A 96 9.422 -10.480 2.195 1.00 0.00 O ATOM 1500 CG2 THR A 96 7.421 -10.319 0.856 1.00 0.00 C ATOM 0 H THR A 96 8.515 -8.771 -1.541 1.00 0.00 H new ATOM 0 HA THR A 96 10.406 -8.571 0.668 1.00 0.00 H new ATOM 0 HB THR A 96 8.363 -8.728 1.907 1.00 0.00 H new ATOM 0 HG1 THR A 96 8.849 -10.788 2.928 1.00 0.00 H new ATOM 0 HG21 THR A 96 6.824 -10.639 1.710 1.00 0.00 H new ATOM 0 HG22 THR A 96 6.838 -9.633 0.242 1.00 0.00 H new ATOM 0 HG23 THR A 96 7.701 -11.189 0.262 1.00 0.00 H new ATOM 1508 N LYS A 97 11.268 -10.821 -0.119 1.00 0.00 N ATOM 1509 CA LYS A 97 11.894 -12.014 -0.659 1.00 0.00 C ATOM 1510 C LYS A 97 11.034 -13.245 -0.356 1.00 0.00 C ATOM 1511 O LYS A 97 11.235 -14.292 -0.956 1.00 0.00 O ATOM 1512 CB LYS A 97 13.298 -12.168 -0.060 1.00 0.00 C ATOM 1513 CG LYS A 97 14.346 -11.271 -0.738 1.00 0.00 C ATOM 1514 CD LYS A 97 14.177 -9.761 -0.491 1.00 0.00 C ATOM 1515 CE LYS A 97 15.060 -8.938 -1.419 1.00 0.00 C ATOM 1516 NZ LYS A 97 16.507 -9.120 -1.195 1.00 0.00 N ATOM 0 H LYS A 97 11.767 -10.432 0.681 1.00 0.00 H new ATOM 0 HA LYS A 97 11.981 -11.922 -1.742 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.260 -11.932 1.004 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.610 -13.209 -0.145 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.335 -11.571 -0.392 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.315 -11.453 -1.812 1.00 0.00 H new ATOM 0 HD2 LYS A 97 13.134 -9.482 -0.639 1.00 0.00 H new ATOM 0 HD3 LYS A 97 14.424 -9.532 0.545 1.00 0.00 H new ATOM 0 HE2 LYS A 97 14.828 -9.201 -2.451 1.00 0.00 H new ATOM 0 HE3 LYS A 97 14.814 -7.883 -1.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 17.039 -8.528 -1.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.745 -8.842 -0.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 16.758 -10.119 -1.341 1.00 0.00 H new ATOM 1530 N LYS A 98 10.063 -13.143 0.561 1.00 0.00 N ATOM 1531 CA LYS A 98 9.172 -14.246 0.892 1.00 0.00 C ATOM 1532 C LYS A 98 8.144 -14.553 -0.193 1.00 0.00 C ATOM 1533 O LYS A 98 7.580 -15.644 -0.140 1.00 0.00 O ATOM 1534 CB LYS A 98 8.455 -13.952 2.224 1.00 0.00 C ATOM 1535 CG LYS A 98 9.336 -14.276 3.438 1.00 0.00 C ATOM 1536 CD LYS A 98 9.559 -15.793 3.548 1.00 0.00 C ATOM 1537 CE LYS A 98 11.031 -16.201 3.445 1.00 0.00 C ATOM 1538 NZ LYS A 98 11.663 -16.320 4.774 1.00 0.00 N ATOM 0 H LYS A 98 9.879 -12.291 1.090 1.00 0.00 H new ATOM 0 HA LYS A 98 9.798 -15.134 0.980 1.00 0.00 H new ATOM 0 HB2 LYS A 98 8.167 -12.901 2.256 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.536 -14.536 2.277 1.00 0.00 H new ATOM 0 HG2 LYS A 98 10.295 -13.767 3.346 1.00 0.00 H new ATOM 0 HG3 LYS A 98 8.864 -13.904 4.348 1.00 0.00 H new ATOM 0 HD2 LYS A 98 9.158 -16.143 4.499 1.00 0.00 H new ATOM 0 HD3 LYS A 98 8.995 -16.294 2.761 1.00 0.00 H new ATOM 0 HE2 LYS A 98 11.108 -17.153 2.920 1.00 0.00 H new ATOM 0 HE3 LYS A 98 11.571 -15.464 2.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 12.659 -16.598 4.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 11.612 -15.405 5.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 11.164 -17.041 5.333 1.00 0.00 H new ATOM 1552 N SER A 99 7.832 -13.609 -1.089 1.00 0.00 N ATOM 1553 CA SER A 99 6.747 -13.788 -2.054 1.00 0.00 C ATOM 1554 C SER A 99 6.947 -13.076 -3.389 1.00 0.00 C ATOM 1555 O SER A 99 6.204 -13.345 -4.332 1.00 0.00 O ATOM 1556 CB SER A 99 5.421 -13.360 -1.434 1.00 0.00 C ATOM 1557 OG SER A 99 5.026 -14.319 -0.483 1.00 0.00 O ATOM 0 H SER A 99 8.317 -12.715 -1.164 1.00 0.00 H new ATOM 0 HA SER A 99 6.743 -14.853 -2.288 1.00 0.00 H new ATOM 0 HB2 SER A 99 5.525 -12.383 -0.962 1.00 0.00 H new ATOM 0 HB3 SER A 99 4.659 -13.261 -2.207 1.00 0.00 H new ATOM 0 HG SER A 99 5.750 -14.966 -0.350 1.00 0.00 H new ATOM 1563 N GLY A 100 7.874 -12.119 -3.486 1.00 0.00 N ATOM 1564 CA GLY A 100 8.014 -11.302 -4.682 1.00 0.00 C ATOM 1565 C GLY A 100 6.706 -10.628 -5.087 1.00 0.00 C ATOM 1566 O GLY A 100 6.467 -10.469 -6.283 1.00 0.00 O ATOM 0 H GLY A 100 8.538 -11.895 -2.745 1.00 0.00 H new ATOM 0 HA2 GLY A 100 8.774 -10.539 -4.510 1.00 0.00 H new ATOM 0 HA3 GLY A 100 8.368 -11.925 -5.504 1.00 0.00 H new ATOM 1570 N VAL A 101 5.846 -10.274 -4.123 1.00 0.00 N ATOM 1571 CA VAL A 101 4.666 -9.458 -4.362 1.00 0.00 C ATOM 1572 C VAL A 101 5.110 -8.200 -5.088 1.00 0.00 C ATOM 1573 O VAL A 101 6.116 -7.640 -4.670 1.00 0.00 O ATOM 1574 CB VAL A 101 4.019 -9.103 -3.016 1.00 0.00 C ATOM 1575 CG1 VAL A 101 2.687 -8.381 -3.181 1.00 0.00 C ATOM 1576 CG2 VAL A 101 3.862 -10.334 -2.116 1.00 0.00 C ATOM 0 H VAL A 101 5.958 -10.553 -3.148 1.00 0.00 H new ATOM 0 HA VAL A 101 3.934 -9.993 -4.967 1.00 0.00 H new ATOM 0 HB VAL A 101 4.704 -8.411 -2.525 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.273 -8.153 -2.199 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.842 -7.454 -3.734 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.993 -9.019 -3.729 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.400 -10.039 -1.174 1.00 0.00 H new ATOM 0 HG22 VAL A 101 3.232 -11.071 -2.614 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.842 -10.768 -1.920 1.00 0.00 H new ATOM 1586 N VAL A 102 4.396 -7.738 -6.107 1.00 0.00 N ATOM 1587 CA VAL A 102 4.675 -6.453 -6.739 1.00 0.00 C ATOM 1588 C VAL A 102 3.395 -5.618 -6.696 1.00 0.00 C ATOM 1589 O VAL A 102 2.314 -6.143 -6.411 1.00 0.00 O ATOM 1590 CB VAL A 102 5.309 -6.630 -8.144 1.00 0.00 C ATOM 1591 CG1 VAL A 102 6.190 -7.885 -8.274 1.00 0.00 C ATOM 1592 CG2 VAL A 102 4.322 -6.496 -9.315 1.00 0.00 C ATOM 0 H VAL A 102 3.610 -8.241 -6.518 1.00 0.00 H new ATOM 0 HA VAL A 102 5.439 -5.900 -6.192 1.00 0.00 H new ATOM 0 HB VAL A 102 5.977 -5.772 -8.227 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.598 -7.940 -9.283 1.00 0.00 H new ATOM 0 HG12 VAL A 102 7.007 -7.832 -7.555 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.590 -8.773 -8.076 1.00 0.00 H new ATOM 0 HG21 VAL A 102 4.854 -6.634 -10.257 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.543 -7.253 -9.223 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.868 -5.505 -9.297 1.00 0.00 H new ATOM 1602 N LEU A 103 3.504 -4.314 -6.942 1.00 0.00 N ATOM 1603 CA LEU A 103 2.349 -3.434 -6.973 1.00 0.00 C ATOM 1604 C LEU A 103 1.852 -3.332 -8.396 1.00 0.00 C ATOM 1605 O LEU A 103 2.637 -3.087 -9.308 1.00 0.00 O ATOM 1606 CB LEU A 103 2.699 -2.042 -6.447 1.00 0.00 C ATOM 1607 CG LEU A 103 3.320 -2.006 -5.044 1.00 0.00 C ATOM 1608 CD1 LEU A 103 3.352 -0.549 -4.584 1.00 0.00 C ATOM 1609 CD2 LEU A 103 2.553 -2.869 -4.034 1.00 0.00 C ATOM 0 H LEU A 103 4.391 -3.845 -7.124 1.00 0.00 H new ATOM 0 HA LEU A 103 1.573 -3.849 -6.330 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.392 -1.572 -7.145 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.793 -1.436 -6.441 1.00 0.00 H new ATOM 0 HG LEU A 103 4.325 -2.424 -5.095 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.789 -0.492 -3.587 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.953 0.039 -5.278 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.337 -0.153 -4.558 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.037 -2.805 -3.059 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.527 -2.510 -3.954 1.00 0.00 H new ATOM 0 HD23 LEU A 103 2.549 -3.906 -4.370 1.00 0.00 H new ATOM 1621 N HIS A 104 0.541 -3.454 -8.569 1.00 0.00 N ATOM 1622 CA HIS A 104 -0.093 -3.328 -9.868 1.00 0.00 C ATOM 1623 C HIS A 104 -1.294 -2.389 -9.796 1.00 0.00 C ATOM 1624 O HIS A 104 -1.439 -1.563 -10.697 1.00 0.00 O ATOM 1625 CB HIS A 104 -0.571 -4.698 -10.340 1.00 0.00 C ATOM 1626 CG HIS A 104 0.439 -5.643 -10.932 1.00 0.00 C ATOM 1627 ND1 HIS A 104 0.605 -6.953 -10.573 1.00 0.00 N flip ATOM 1628 CD2 HIS A 104 1.203 -5.424 -12.054 1.00 0.00 C flip ATOM 1629 CE1 HIS A 104 1.502 -7.539 -11.473 1.00 0.00 C flip ATOM 1630 NE2 HIS A 104 1.854 -6.567 -12.334 1.00 0.00 N flip ATOM 0 H HIS A 104 -0.111 -3.644 -7.808 1.00 0.00 H new ATOM 0 HA HIS A 104 0.638 -2.921 -10.566 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -1.036 -5.198 -9.490 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -1.353 -4.539 -11.083 1.00 0.00 H new ATOM 0 HD2 HIS A 104 1.269 -4.501 -12.610 1.00 0.00 H new ATOM 0 HE1 HIS A 104 1.843 -8.564 -11.476 1.00 0.00 H new ATOM 0 HE2 HIS A 104 2.523 -6.681 -13.095 1.00 0.00 H new ATOM 1638 N ARG A 105 -2.204 -2.531 -8.820 1.00 0.00 N ATOM 1639 CA ARG A 105 -3.501 -1.863 -8.897 1.00 0.00 C ATOM 1640 C ARG A 105 -3.921 -1.295 -7.546 1.00 0.00 C ATOM 1641 O ARG A 105 -3.634 -1.895 -6.519 1.00 0.00 O ATOM 1642 CB ARG A 105 -4.539 -2.833 -9.480 1.00 0.00 C ATOM 1643 CG ARG A 105 -5.758 -2.115 -10.071 1.00 0.00 C ATOM 1644 CD ARG A 105 -5.419 -1.464 -11.424 1.00 0.00 C ATOM 1645 NE ARG A 105 -6.538 -0.672 -11.958 1.00 0.00 N ATOM 1646 CZ ARG A 105 -6.905 -0.597 -13.246 1.00 0.00 C ATOM 1647 NH1 ARG A 105 -6.230 -1.218 -14.207 1.00 0.00 N ATOM 1648 NH2 ARG A 105 -7.964 0.114 -13.600 1.00 0.00 N ATOM 0 H ARG A 105 -2.064 -3.095 -7.982 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.425 -1.006 -9.566 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -4.069 -3.438 -10.255 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -4.870 -3.517 -8.698 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -6.574 -2.826 -10.201 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -6.107 -1.352 -9.375 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -4.546 -0.822 -11.307 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -5.151 -2.240 -12.141 1.00 0.00 H new ATOM 0 HE ARG A 105 -7.084 -0.131 -11.288 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -5.406 -1.772 -13.975 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -6.536 -1.140 -15.177 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -8.506 0.609 -12.892 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -8.238 0.167 -14.581 1.00 0.00 H new ATOM 1662 N ALA A 106 -4.598 -0.149 -7.532 1.00 0.00 N ATOM 1663 CA ALA A 106 -4.931 0.582 -6.316 1.00 0.00 C ATOM 1664 C ALA A 106 -6.444 0.769 -6.221 1.00 0.00 C ATOM 1665 O ALA A 106 -7.021 1.478 -7.053 1.00 0.00 O ATOM 1666 CB ALA A 106 -4.205 1.927 -6.340 1.00 0.00 C ATOM 0 H ALA A 106 -4.936 0.304 -8.381 1.00 0.00 H new ATOM 0 HA ALA A 106 -4.611 0.023 -5.437 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -4.445 2.486 -5.435 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -3.129 1.759 -6.388 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -4.523 2.496 -7.213 1.00 0.00 H new ATOM 1672 N VAL A 107 -7.082 0.143 -5.230 1.00 0.00 N ATOM 1673 CA VAL A 107 -8.521 0.266 -4.992 1.00 0.00 C ATOM 1674 C VAL A 107 -8.826 1.709 -4.584 1.00 0.00 C ATOM 1675 O VAL A 107 -8.251 2.194 -3.611 1.00 0.00 O ATOM 1676 CB VAL A 107 -9.026 -0.712 -3.902 1.00 0.00 C ATOM 1677 CG1 VAL A 107 -10.485 -1.101 -4.183 1.00 0.00 C ATOM 1678 CG2 VAL A 107 -8.212 -2.005 -3.772 1.00 0.00 C ATOM 0 H VAL A 107 -6.610 -0.469 -4.564 1.00 0.00 H new ATOM 0 HA VAL A 107 -9.043 0.006 -5.913 1.00 0.00 H new ATOM 0 HB VAL A 107 -8.917 -0.168 -2.964 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -10.833 -1.789 -3.412 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -11.107 -0.206 -4.179 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -10.551 -1.584 -5.158 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -8.639 -2.626 -2.985 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -8.238 -2.548 -4.717 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -7.180 -1.761 -3.521 1.00 0.00 H new ATOM 1688 N PRO A 108 -9.712 2.419 -5.291 1.00 0.00 N ATOM 1689 CA PRO A 108 -10.173 3.721 -4.872 1.00 0.00 C ATOM 1690 C PRO A 108 -11.188 3.619 -3.736 1.00 0.00 C ATOM 1691 O PRO A 108 -12.344 3.242 -3.953 1.00 0.00 O ATOM 1692 CB PRO A 108 -10.753 4.362 -6.125 1.00 0.00 C ATOM 1693 CG PRO A 108 -11.287 3.158 -6.911 1.00 0.00 C ATOM 1694 CD PRO A 108 -10.433 1.977 -6.466 1.00 0.00 C ATOM 0 HA PRO A 108 -9.367 4.329 -4.462 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -11.545 5.072 -5.886 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -9.995 4.908 -6.687 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -12.341 2.984 -6.696 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -11.203 3.321 -7.985 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -11.055 1.111 -6.238 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -9.744 1.676 -7.255 1.00 0.00 H new ATOM 1702 N SER A 109 -10.776 4.046 -2.546 1.00 0.00 N ATOM 1703 CA SER A 109 -11.689 4.434 -1.477 1.00 0.00 C ATOM 1704 C SER A 109 -12.471 5.658 -1.977 1.00 0.00 C ATOM 1705 O SER A 109 -13.702 5.667 -2.016 1.00 0.00 O ATOM 1706 CB SER A 109 -10.884 4.704 -0.196 1.00 0.00 C ATOM 1707 OG SER A 109 -11.728 4.895 0.923 1.00 0.00 O ATOM 0 H SER A 109 -9.791 4.133 -2.295 1.00 0.00 H new ATOM 0 HA SER A 109 -12.402 3.648 -1.227 1.00 0.00 H new ATOM 0 HB2 SER A 109 -10.212 3.867 -0.006 1.00 0.00 H new ATOM 0 HB3 SER A 109 -10.261 5.588 -0.337 1.00 0.00 H new ATOM 0 HG SER A 109 -11.182 5.062 1.720 1.00 0.00 H new ATOM 1713 N GLY A 110 -11.735 6.656 -2.471 1.00 0.00 N ATOM 1714 CA GLY A 110 -12.206 7.973 -2.864 1.00 0.00 C ATOM 1715 C GLY A 110 -11.253 9.008 -2.258 1.00 0.00 C ATOM 1716 O GLY A 110 -10.352 8.628 -1.507 1.00 0.00 O ATOM 0 H GLY A 110 -10.730 6.552 -2.614 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.228 8.063 -3.950 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -13.224 8.137 -2.510 1.00 0.00 H new ATOM 1720 N PRO A 111 -11.407 10.306 -2.545 1.00 0.00 N ATOM 1721 CA PRO A 111 -10.540 11.352 -2.005 1.00 0.00 C ATOM 1722 C PRO A 111 -10.786 11.665 -0.516 1.00 0.00 C ATOM 1723 O PRO A 111 -10.185 12.611 -0.006 1.00 0.00 O ATOM 1724 CB PRO A 111 -10.812 12.564 -2.907 1.00 0.00 C ATOM 1725 CG PRO A 111 -12.282 12.386 -3.287 1.00 0.00 C ATOM 1726 CD PRO A 111 -12.420 10.871 -3.421 1.00 0.00 C ATOM 0 HA PRO A 111 -9.495 11.041 -2.015 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -10.642 13.504 -2.382 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -10.166 12.567 -3.785 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -12.948 12.786 -2.522 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -12.523 12.897 -4.219 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -13.417 10.541 -3.130 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -12.267 10.553 -4.452 1.00 0.00 H new ATOM 1734 N SER A 112 -11.660 10.943 0.194 1.00 0.00 N ATOM 1735 CA SER A 112 -12.058 11.245 1.564 1.00 0.00 C ATOM 1736 C SER A 112 -11.886 9.986 2.420 1.00 0.00 C ATOM 1737 O SER A 112 -12.820 9.197 2.584 1.00 0.00 O ATOM 1738 CB SER A 112 -13.496 11.788 1.536 1.00 0.00 C ATOM 1739 OG SER A 112 -13.788 12.602 2.653 1.00 0.00 O ATOM 0 H SER A 112 -12.119 10.113 -0.182 1.00 0.00 H new ATOM 0 HA SER A 112 -11.432 12.013 2.018 1.00 0.00 H new ATOM 0 HB2 SER A 112 -13.646 12.363 0.622 1.00 0.00 H new ATOM 0 HB3 SER A 112 -14.196 10.953 1.506 1.00 0.00 H new ATOM 0 HG SER A 112 -14.711 12.925 2.590 1.00 0.00 H new ATOM 1745 N SER A 113 -10.678 9.780 2.951 1.00 0.00 N ATOM 1746 CA SER A 113 -10.383 8.644 3.810 1.00 0.00 C ATOM 1747 C SER A 113 -10.943 8.907 5.210 1.00 0.00 C ATOM 1748 O SER A 113 -10.344 9.651 6.001 1.00 0.00 O ATOM 1749 CB SER A 113 -8.879 8.368 3.839 1.00 0.00 C ATOM 1750 OG SER A 113 -8.659 6.985 4.022 1.00 0.00 O ATOM 0 H SER A 113 -9.882 10.398 2.794 1.00 0.00 H new ATOM 0 HA SER A 113 -10.863 7.750 3.413 1.00 0.00 H new ATOM 0 HB2 SER A 113 -8.419 8.701 2.908 1.00 0.00 H new ATOM 0 HB3 SER A 113 -8.410 8.932 4.645 1.00 0.00 H new ATOM 0 HG SER A 113 -8.606 6.544 3.149 1.00 0.00 H new ATOM 1756 N GLY A 114 -12.093 8.303 5.503 1.00 0.00 N ATOM 1757 CA GLY A 114 -12.813 8.410 6.756 1.00 0.00 C ATOM 1758 C GLY A 114 -13.826 7.290 6.782 1.00 0.00 C ATOM 1759 O GLY A 114 -14.732 7.319 5.919 1.00 0.00 O ATOM 0 H GLY A 114 -12.566 7.696 4.834 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -12.129 8.331 7.601 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -13.307 9.378 6.835 1.00 0.00 H new TER 1763 GLY A 114