USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 895 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 104 THR OG1 : rot 180:sc= 0.303 USER MOD Set 1.2: A 105 ASN : amide:sc= -7.58! K(o=-7.3!,f=0.36) USER MOD Set 2.1: A 71 ASN : amide:sc= -1.02 K(o=-1.1,f=-8.6!) USER MOD Set 2.2: A 74 THR OG1 : rot -172:sc= -0.0377 USER MOD Set 3.1: A 12 TYR OH : rot 34:sc= 0.048 USER MOD Set 3.2: A 109 TYR OH : rot -10:sc= 0.032 USER MOD Single : A 1 GLU N :NH3+ -166:sc= -0.0211 (180deg=-0.255) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 ASN : amide:sc= -0.953! K(o=-0.95!,f=-0.18) USER MOD Single : A 9 THR OG1 : rot 76:sc= 1.27 USER MOD Single : A 10 TYR OH : rot 82:sc= 0.96 USER MOD Single : A 11 HIS : no HD1:sc= -1.96! C(o=-2!,f=-2.1!) USER MOD Single : A 13 TYR OH : rot 130:sc= -0.704 USER MOD Single : A 17 GLN : amide:sc= 0.996 K(o=1,f=-0.056) USER MOD Single : A 18 ASN : amide:sc= 1.11 K(o=1.1,f=-0.075) USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=0.57) USER MOD Single : A 28 SER OG : rot 51:sc= 0.979 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0.00455 USER MOD Single : A 38 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.068) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -83:sc= 0.815 USER MOD Single : A 45 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0764) USER MOD Single : A 46 TYR OH : rot -164:sc= 1.24 USER MOD Single : A 49 THR OG1 : rot -130:sc= -1.95 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -110:sc= 1.17 (180deg=-0.398) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.218 USER MOD Single : A 77 GLN : amide:sc= 1.15 K(o=1.2,f=-5.2!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0.42 K(o=0.42,f=-4.4!) USER MOD Single : A 88 ASN : amide:sc= -1.74! C(o=-1.7!,f=-8.5!) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.415 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.33 USER MOD Single : A 101 LYS NZ :NH3+ 173:sc= 0.663 (180deg=0.641) USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 113 HIS : no HE2:sc= -1.69! C(o=-1.7!,f=-3.6!) USER MOD Single : A 115 ASN : amide:sc= 0.05 K(o=0.05,f=-3.6!) USER MOD Single : A 117 ASN : amide:sc= -0.243 K(o=-0.24,f=-6.6!) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= -5.64! C(o=-5.6!,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 3.835 16.251 -0.823 1.00 0.00 N ATOM 2 CA GLU A 1 3.563 15.551 -2.115 1.00 0.00 C ATOM 3 C GLU A 1 4.691 14.662 -2.613 1.00 0.00 C ATOM 4 O GLU A 1 4.420 13.703 -3.312 1.00 0.00 O ATOM 5 CB GLU A 1 3.289 16.556 -3.203 1.00 0.00 C ATOM 6 CG GLU A 1 2.036 17.372 -2.867 1.00 0.00 C ATOM 7 CD GLU A 1 1.744 18.298 -4.046 1.00 0.00 C ATOM 8 OE1 GLU A 1 1.540 17.747 -5.115 1.00 0.00 O ATOM 9 OE2 GLU A 1 1.754 19.486 -3.793 1.00 0.00 O ATOM 0 H1 GLU A 1 2.947 16.636 -0.443 1.00 0.00 H new ATOM 0 H2 GLU A 1 4.240 15.577 -0.142 1.00 0.00 H new ATOM 0 H3 GLU A 1 4.508 17.027 -0.984 1.00 0.00 H new ATOM 0 HA GLU A 1 2.705 14.914 -1.901 1.00 0.00 H new ATOM 0 HB2 GLU A 1 4.145 17.221 -3.318 1.00 0.00 H new ATOM 0 HB3 GLU A 1 3.154 16.044 -4.156 1.00 0.00 H new ATOM 0 HG2 GLU A 1 1.189 16.711 -2.683 1.00 0.00 H new ATOM 0 HG3 GLU A 1 2.192 17.951 -1.957 1.00 0.00 H new ATOM 18 N GLN A 2 5.907 15.004 -2.263 1.00 0.00 N ATOM 19 CA GLN A 2 7.082 14.197 -2.699 1.00 0.00 C ATOM 20 C GLN A 2 7.809 13.593 -1.491 1.00 0.00 C ATOM 21 O GLN A 2 8.112 14.281 -0.532 1.00 0.00 O ATOM 22 CB GLN A 2 8.056 15.105 -3.463 1.00 0.00 C ATOM 23 CG GLN A 2 7.332 15.926 -4.560 1.00 0.00 C ATOM 24 CD GLN A 2 8.361 16.729 -5.334 1.00 0.00 C ATOM 25 OE1 GLN A 2 8.863 17.744 -4.910 1.00 0.00 O ATOM 26 NE2 GLN A 2 8.728 16.308 -6.495 1.00 0.00 N ATOM 0 H GLN A 2 6.134 15.816 -1.689 1.00 0.00 H new ATOM 0 HA GLN A 2 6.731 13.387 -3.338 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.546 15.783 -2.764 1.00 0.00 H new ATOM 0 HB3 GLN A 2 8.838 14.498 -3.919 1.00 0.00 H new ATOM 0 HG2 GLN A 2 6.790 15.261 -5.232 1.00 0.00 H new ATOM 0 HG3 GLN A 2 6.596 16.592 -4.109 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.323 15.455 -6.880 1.00 0.00 H new ATOM 0 HE22 GLN A 2 9.424 16.828 -7.029 1.00 0.00 H new ATOM 35 N ALA A 3 8.053 12.313 -1.594 1.00 0.00 N ATOM 36 CA ALA A 3 8.760 11.564 -0.526 1.00 0.00 C ATOM 37 C ALA A 3 9.834 10.685 -1.210 1.00 0.00 C ATOM 38 O ALA A 3 9.643 10.213 -2.320 1.00 0.00 O ATOM 39 CB ALA A 3 7.723 10.728 0.188 1.00 0.00 C ATOM 0 H ALA A 3 7.782 11.745 -2.397 1.00 0.00 H new ATOM 0 HA ALA A 3 9.253 12.212 0.199 1.00 0.00 H new ATOM 0 HB1 ALA A 3 8.201 10.158 0.985 1.00 0.00 H new ATOM 0 HB2 ALA A 3 6.961 11.380 0.615 1.00 0.00 H new ATOM 0 HB3 ALA A 3 7.258 10.042 -0.520 1.00 0.00 H new ATOM 45 N ASN A 4 10.924 10.499 -0.527 1.00 0.00 N ATOM 46 CA ASN A 4 12.041 9.669 -1.054 1.00 0.00 C ATOM 47 C ASN A 4 12.519 8.716 0.046 1.00 0.00 C ATOM 48 O ASN A 4 12.168 8.893 1.197 1.00 0.00 O ATOM 49 CB ASN A 4 13.149 10.642 -1.523 1.00 0.00 C ATOM 50 CG ASN A 4 13.630 11.607 -0.446 1.00 0.00 C ATOM 51 OD1 ASN A 4 14.239 12.603 -0.747 1.00 0.00 O ATOM 52 ND2 ASN A 4 13.431 11.424 0.822 1.00 0.00 N ATOM 0 H ASN A 4 11.093 10.897 0.397 1.00 0.00 H new ATOM 0 HA ASN A 4 11.737 9.050 -1.898 1.00 0.00 H new ATOM 0 HB2 ASN A 4 13.999 10.061 -1.881 1.00 0.00 H new ATOM 0 HB3 ASN A 4 12.777 11.217 -2.371 1.00 0.00 H new ATOM 0 HD21 ASN A 4 13.783 12.103 1.497 1.00 0.00 H new ATOM 0 HD22 ASN A 4 12.922 10.601 1.145 1.00 0.00 H new ATOM 59 N ASP A 5 13.302 7.766 -0.368 1.00 0.00 N ATOM 60 CA ASP A 5 13.911 6.707 0.484 1.00 0.00 C ATOM 61 C ASP A 5 12.955 6.071 1.521 1.00 0.00 C ATOM 62 O ASP A 5 13.141 6.132 2.723 1.00 0.00 O ATOM 63 CB ASP A 5 15.158 7.402 1.105 1.00 0.00 C ATOM 64 CG ASP A 5 16.083 7.854 -0.021 1.00 0.00 C ATOM 65 OD1 ASP A 5 16.493 6.954 -0.739 1.00 0.00 O ATOM 66 OD2 ASP A 5 16.308 9.052 -0.087 1.00 0.00 O ATOM 0 H ASP A 5 13.566 7.676 -1.349 1.00 0.00 H new ATOM 0 HA ASP A 5 14.177 5.827 -0.102 1.00 0.00 H new ATOM 0 HB2 ASP A 5 14.852 8.257 1.708 1.00 0.00 H new ATOM 0 HB3 ASP A 5 15.681 6.714 1.770 1.00 0.00 H new ATOM 71 N VAL A 6 11.927 5.448 1.002 1.00 0.00 N ATOM 72 CA VAL A 6 10.917 4.785 1.898 1.00 0.00 C ATOM 73 C VAL A 6 10.873 3.245 1.668 1.00 0.00 C ATOM 74 O VAL A 6 10.989 2.761 0.556 1.00 0.00 O ATOM 75 CB VAL A 6 9.539 5.468 1.608 1.00 0.00 C ATOM 76 CG1 VAL A 6 8.491 5.085 2.666 1.00 0.00 C ATOM 77 CG2 VAL A 6 9.679 7.009 1.658 1.00 0.00 C ATOM 0 H VAL A 6 11.740 5.367 0.003 1.00 0.00 H new ATOM 0 HA VAL A 6 11.185 4.911 2.947 1.00 0.00 H new ATOM 0 HB VAL A 6 9.224 5.130 0.621 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.545 5.576 2.436 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.349 4.004 2.663 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.835 5.403 3.650 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.712 7.469 1.454 1.00 0.00 H new ATOM 0 HG22 VAL A 6 10.023 7.311 2.647 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.400 7.333 0.908 1.00 0.00 H new ATOM 87 N ARG A 7 10.715 2.524 2.753 1.00 0.00 N ATOM 88 CA ARG A 7 10.655 1.014 2.731 1.00 0.00 C ATOM 89 C ARG A 7 9.481 0.368 1.938 1.00 0.00 C ATOM 90 O ARG A 7 8.331 0.490 2.319 1.00 0.00 O ATOM 91 CB ARG A 7 10.591 0.506 4.208 1.00 0.00 C ATOM 92 CG ARG A 7 11.949 0.644 4.932 1.00 0.00 C ATOM 93 CD ARG A 7 11.791 0.344 6.441 1.00 0.00 C ATOM 94 NE ARG A 7 11.270 -1.066 6.628 1.00 0.00 N ATOM 95 CZ ARG A 7 10.207 -1.298 7.301 1.00 0.00 C ATOM 96 NH1 ARG A 7 9.105 -1.011 6.748 1.00 0.00 N ATOM 97 NH2 ARG A 7 10.296 -1.793 8.467 1.00 0.00 N ATOM 0 H ARG A 7 10.622 2.927 3.685 1.00 0.00 H new ATOM 0 HA ARG A 7 11.553 0.706 2.196 1.00 0.00 H new ATOM 0 HB2 ARG A 7 9.832 1.069 4.752 1.00 0.00 H new ATOM 0 HB3 ARG A 7 10.280 -0.539 4.218 1.00 0.00 H new ATOM 0 HG2 ARG A 7 12.673 -0.042 4.493 1.00 0.00 H new ATOM 0 HG3 ARG A 7 12.340 1.652 4.795 1.00 0.00 H new ATOM 0 HD2 ARG A 7 12.750 0.458 6.947 1.00 0.00 H new ATOM 0 HD3 ARG A 7 11.104 1.059 6.894 1.00 0.00 H new ATOM 0 HE ARG A 7 11.777 -1.846 6.209 1.00 0.00 H new ATOM 0 HH11 ARG A 7 9.094 -0.614 5.808 1.00 0.00 H new ATOM 0 HH12 ARG A 7 8.228 -1.177 7.242 1.00 0.00 H new ATOM 0 HH21 ARG A 7 11.212 -2.004 8.863 1.00 0.00 H new ATOM 0 HH22 ARG A 7 9.451 -1.980 9.008 1.00 0.00 H new ATOM 111 N ALA A 8 9.778 -0.310 0.861 1.00 0.00 N ATOM 112 CA ALA A 8 8.691 -0.962 0.052 1.00 0.00 C ATOM 113 C ALA A 8 8.730 -2.504 0.215 1.00 0.00 C ATOM 114 O ALA A 8 9.706 -3.119 -0.174 1.00 0.00 O ATOM 115 CB ALA A 8 8.910 -0.523 -1.416 1.00 0.00 C ATOM 0 H ALA A 8 10.723 -0.444 0.502 1.00 0.00 H new ATOM 0 HA ALA A 8 7.702 -0.654 0.391 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.143 -0.971 -2.048 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.847 0.563 -1.484 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.894 -0.851 -1.751 1.00 0.00 H new ATOM 121 N THR A 9 7.677 -3.048 0.789 1.00 0.00 N ATOM 122 CA THR A 9 7.545 -4.535 1.030 1.00 0.00 C ATOM 123 C THR A 9 6.238 -5.083 0.398 1.00 0.00 C ATOM 124 O THR A 9 5.202 -4.452 0.481 1.00 0.00 O ATOM 125 CB THR A 9 7.568 -4.769 2.565 1.00 0.00 C ATOM 126 OG1 THR A 9 7.546 -6.170 2.712 1.00 0.00 O ATOM 127 CG2 THR A 9 6.263 -4.459 3.253 1.00 0.00 C ATOM 0 H THR A 9 6.875 -2.507 1.112 1.00 0.00 H new ATOM 0 HA THR A 9 8.370 -5.070 0.560 1.00 0.00 H new ATOM 0 HB THR A 9 8.396 -4.180 2.960 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.430 -6.535 2.499 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.361 -4.648 4.322 1.00 0.00 H new ATOM 0 HG22 THR A 9 6.006 -3.412 3.092 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.476 -5.093 2.843 1.00 0.00 H new ATOM 135 N TYR A 10 6.349 -6.250 -0.193 1.00 0.00 N ATOM 136 CA TYR A 10 5.162 -6.899 -0.861 1.00 0.00 C ATOM 137 C TYR A 10 4.584 -8.120 -0.096 1.00 0.00 C ATOM 138 O TYR A 10 5.156 -8.571 0.881 1.00 0.00 O ATOM 139 CB TYR A 10 5.638 -7.299 -2.287 1.00 0.00 C ATOM 140 CG TYR A 10 6.759 -8.365 -2.176 1.00 0.00 C ATOM 141 CD1 TYR A 10 6.440 -9.701 -2.011 1.00 0.00 C ATOM 142 CD2 TYR A 10 8.098 -8.009 -2.206 1.00 0.00 C ATOM 143 CE1 TYR A 10 7.436 -10.653 -1.878 1.00 0.00 C ATOM 144 CE2 TYR A 10 9.086 -8.963 -2.071 1.00 0.00 C ATOM 145 CZ TYR A 10 8.757 -10.287 -1.904 1.00 0.00 C ATOM 146 OH TYR A 10 9.734 -11.247 -1.756 1.00 0.00 O ATOM 0 H TYR A 10 7.214 -6.788 -0.244 1.00 0.00 H new ATOM 0 HA TYR A 10 4.332 -6.192 -0.883 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.802 -7.694 -2.864 1.00 0.00 H new ATOM 0 HB3 TYR A 10 6.007 -6.422 -2.819 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.404 -10.004 -1.986 1.00 0.00 H new ATOM 0 HD2 TYR A 10 8.372 -6.972 -2.337 1.00 0.00 H new ATOM 0 HE1 TYR A 10 7.170 -11.692 -1.753 1.00 0.00 H new ATOM 0 HE2 TYR A 10 10.124 -8.667 -2.097 1.00 0.00 H new ATOM 0 HH TYR A 10 9.895 -11.686 -2.617 1.00 0.00 H new ATOM 156 N HIS A 11 3.462 -8.631 -0.543 1.00 0.00 N ATOM 157 CA HIS A 11 2.845 -9.813 0.141 1.00 0.00 C ATOM 158 C HIS A 11 2.210 -10.757 -0.903 1.00 0.00 C ATOM 159 O HIS A 11 2.360 -10.556 -2.085 1.00 0.00 O ATOM 160 CB HIS A 11 1.810 -9.260 1.139 1.00 0.00 C ATOM 161 CG HIS A 11 1.335 -10.370 2.069 1.00 0.00 C ATOM 162 ND1 HIS A 11 2.123 -11.128 2.754 1.00 0.00 N ATOM 163 CD2 HIS A 11 0.067 -10.812 2.394 1.00 0.00 C ATOM 164 CE1 HIS A 11 1.430 -11.975 3.447 1.00 0.00 C ATOM 165 NE2 HIS A 11 0.147 -11.811 3.252 1.00 0.00 N ATOM 0 H HIS A 11 2.947 -8.282 -1.351 1.00 0.00 H new ATOM 0 HA HIS A 11 3.587 -10.406 0.676 1.00 0.00 H new ATOM 0 HB2 HIS A 11 2.251 -8.451 1.721 1.00 0.00 H new ATOM 0 HB3 HIS A 11 0.962 -8.839 0.599 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -0.852 -10.401 2.004 1.00 0.00 H new ATOM 0 HE1 HIS A 11 1.857 -12.721 4.102 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -0.620 -12.338 3.670 1.00 0.00 H new ATOM 173 N TYR A 12 1.530 -11.776 -0.462 1.00 0.00 N ATOM 174 CA TYR A 12 0.877 -12.733 -1.419 1.00 0.00 C ATOM 175 C TYR A 12 -0.595 -12.861 -1.046 1.00 0.00 C ATOM 176 O TYR A 12 -0.913 -13.177 0.086 1.00 0.00 O ATOM 177 CB TYR A 12 1.577 -14.090 -1.320 1.00 0.00 C ATOM 178 CG TYR A 12 2.925 -14.006 -2.045 1.00 0.00 C ATOM 179 CD1 TYR A 12 2.963 -13.949 -3.425 1.00 0.00 C ATOM 180 CD2 TYR A 12 4.113 -13.978 -1.344 1.00 0.00 C ATOM 181 CE1 TYR A 12 4.175 -13.863 -4.089 1.00 0.00 C ATOM 182 CE2 TYR A 12 5.324 -13.894 -2.014 1.00 0.00 C ATOM 183 CZ TYR A 12 5.361 -13.835 -3.387 1.00 0.00 C ATOM 184 OH TYR A 12 6.564 -13.738 -4.063 1.00 0.00 O ATOM 0 H TYR A 12 1.393 -11.995 0.525 1.00 0.00 H new ATOM 0 HA TYR A 12 0.957 -12.371 -2.444 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.727 -14.362 -0.275 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.957 -14.868 -1.766 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.042 -13.972 -3.989 1.00 0.00 H new ATOM 0 HD2 TYR A 12 4.100 -14.022 -0.265 1.00 0.00 H new ATOM 0 HE1 TYR A 12 4.191 -13.817 -5.168 1.00 0.00 H new ATOM 0 HE2 TYR A 12 6.246 -13.875 -1.452 1.00 0.00 H new ATOM 0 HH TYR A 12 6.446 -13.183 -4.862 1.00 0.00 H new ATOM 194 N TYR A 13 -1.448 -12.617 -1.995 1.00 0.00 N ATOM 195 CA TYR A 13 -2.907 -12.715 -1.707 1.00 0.00 C ATOM 196 C TYR A 13 -3.615 -13.584 -2.748 1.00 0.00 C ATOM 197 O TYR A 13 -2.952 -14.385 -3.377 1.00 0.00 O ATOM 198 CB TYR A 13 -3.436 -11.253 -1.663 1.00 0.00 C ATOM 199 CG TYR A 13 -4.308 -11.082 -0.415 1.00 0.00 C ATOM 200 CD1 TYR A 13 -5.039 -12.139 0.097 1.00 0.00 C ATOM 201 CD2 TYR A 13 -4.370 -9.852 0.214 1.00 0.00 C ATOM 202 CE1 TYR A 13 -5.810 -11.970 1.206 1.00 0.00 C ATOM 203 CE2 TYR A 13 -5.154 -9.688 1.341 1.00 0.00 C ATOM 204 CZ TYR A 13 -5.874 -10.763 1.825 1.00 0.00 C ATOM 205 OH TYR A 13 -6.701 -10.691 2.914 1.00 0.00 O ATOM 0 H TYR A 13 -1.205 -12.356 -2.951 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.105 -13.208 -0.755 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.603 -10.551 -1.641 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.014 -11.033 -2.561 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.998 -13.104 -0.386 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.805 -9.018 -0.176 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -6.376 -12.803 1.597 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.203 -8.730 1.837 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.217 -10.290 3.666 1.00 0.00 H new ATOM 215 N ARG A 14 -4.904 -13.429 -2.898 1.00 0.00 N ATOM 216 CA ARG A 14 -5.620 -14.263 -3.915 1.00 0.00 C ATOM 217 C ARG A 14 -4.894 -14.274 -5.291 1.00 0.00 C ATOM 218 O ARG A 14 -4.617 -15.354 -5.778 1.00 0.00 O ATOM 219 CB ARG A 14 -7.057 -13.719 -4.068 1.00 0.00 C ATOM 220 CG ARG A 14 -8.069 -14.680 -3.460 1.00 0.00 C ATOM 221 CD ARG A 14 -7.857 -14.850 -1.943 1.00 0.00 C ATOM 222 NE ARG A 14 -7.722 -16.334 -1.720 1.00 0.00 N ATOM 223 CZ ARG A 14 -8.719 -17.132 -1.868 1.00 0.00 C ATOM 224 NH1 ARG A 14 -9.801 -16.692 -2.364 1.00 0.00 N ATOM 225 NH2 ARG A 14 -8.596 -18.345 -1.520 1.00 0.00 N ATOM 0 H ARG A 14 -5.485 -12.775 -2.373 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.636 -15.296 -3.567 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -7.136 -12.746 -3.582 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -7.282 -13.567 -5.124 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -9.078 -14.312 -3.647 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -7.988 -15.651 -3.949 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -6.965 -14.320 -1.609 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -8.698 -14.443 -1.381 1.00 0.00 H new ATOM 0 HE ARG A 14 -6.817 -16.715 -1.445 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -9.874 -15.713 -2.641 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -10.598 -17.317 -2.485 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -7.714 -18.676 -1.128 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -9.379 -18.989 -1.632 1.00 0.00 H new ATOM 239 N PRO A 15 -4.622 -13.127 -5.883 1.00 0.00 N ATOM 240 CA PRO A 15 -5.137 -11.779 -5.469 1.00 0.00 C ATOM 241 C PRO A 15 -6.445 -11.356 -6.200 1.00 0.00 C ATOM 242 O PRO A 15 -7.534 -11.370 -5.648 1.00 0.00 O ATOM 243 CB PRO A 15 -3.895 -10.908 -5.743 1.00 0.00 C ATOM 244 CG PRO A 15 -3.191 -11.563 -6.990 1.00 0.00 C ATOM 245 CD PRO A 15 -3.701 -13.034 -7.054 1.00 0.00 C ATOM 0 HA PRO A 15 -5.482 -11.711 -4.437 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.177 -9.875 -5.949 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.229 -10.891 -4.880 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.440 -11.025 -7.905 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.106 -11.531 -6.886 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.219 -13.240 -7.991 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.881 -13.748 -6.979 1.00 0.00 H new ATOM 253 N ALA A 16 -6.264 -11.000 -7.445 1.00 0.00 N ATOM 254 CA ALA A 16 -7.389 -10.558 -8.329 1.00 0.00 C ATOM 255 C ALA A 16 -8.598 -11.533 -8.389 1.00 0.00 C ATOM 256 O ALA A 16 -9.684 -11.111 -8.732 1.00 0.00 O ATOM 257 CB ALA A 16 -6.781 -10.324 -9.726 1.00 0.00 C ATOM 0 H ALA A 16 -5.352 -10.997 -7.902 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.823 -9.650 -7.911 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.562 -9.999 -10.413 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.010 -9.556 -9.663 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.340 -11.252 -10.091 1.00 0.00 H new ATOM 263 N GLN A 17 -8.375 -12.780 -8.058 1.00 0.00 N ATOM 264 CA GLN A 17 -9.440 -13.850 -8.065 1.00 0.00 C ATOM 265 C GLN A 17 -10.863 -13.352 -7.740 1.00 0.00 C ATOM 266 O GLN A 17 -11.768 -13.468 -8.536 1.00 0.00 O ATOM 267 CB GLN A 17 -9.066 -14.985 -7.038 1.00 0.00 C ATOM 268 CG GLN A 17 -7.707 -15.682 -7.388 1.00 0.00 C ATOM 269 CD GLN A 17 -7.574 -17.013 -6.628 1.00 0.00 C ATOM 270 OE1 GLN A 17 -8.350 -17.929 -6.790 1.00 0.00 O ATOM 271 NE2 GLN A 17 -6.622 -17.209 -5.780 1.00 0.00 N ATOM 0 H GLN A 17 -7.458 -13.121 -7.769 1.00 0.00 H new ATOM 0 HA GLN A 17 -9.464 -14.218 -9.091 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.006 -14.560 -6.036 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.860 -15.731 -7.020 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.649 -15.862 -8.462 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -6.877 -15.024 -7.130 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.938 -16.473 -5.602 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -6.553 -18.100 -5.287 1.00 0.00 H new ATOM 280 N ASN A 18 -11.028 -12.789 -6.574 1.00 0.00 N ATOM 281 CA ASN A 18 -12.391 -12.278 -6.172 1.00 0.00 C ATOM 282 C ASN A 18 -12.502 -10.789 -6.613 1.00 0.00 C ATOM 283 O ASN A 18 -12.985 -9.937 -5.896 1.00 0.00 O ATOM 284 CB ASN A 18 -12.471 -12.467 -4.631 1.00 0.00 C ATOM 285 CG ASN A 18 -13.908 -12.457 -4.151 1.00 0.00 C ATOM 286 OD1 ASN A 18 -14.388 -13.404 -3.570 1.00 0.00 O ATOM 287 ND2 ASN A 18 -14.656 -11.429 -4.359 1.00 0.00 N ATOM 0 H ASN A 18 -10.292 -12.657 -5.881 1.00 0.00 H new ATOM 0 HA ASN A 18 -13.221 -12.806 -6.642 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -11.999 -13.409 -4.353 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -11.914 -11.672 -4.135 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -15.624 -11.429 -4.037 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -14.280 -10.615 -4.846 1.00 0.00 H new ATOM 294 N ASN A 19 -12.031 -10.592 -7.819 1.00 0.00 N ATOM 295 CA ASN A 19 -11.969 -9.290 -8.548 1.00 0.00 C ATOM 296 C ASN A 19 -11.249 -8.280 -7.605 1.00 0.00 C ATOM 297 O ASN A 19 -11.659 -7.153 -7.395 1.00 0.00 O ATOM 298 CB ASN A 19 -13.400 -8.864 -8.890 1.00 0.00 C ATOM 299 CG ASN A 19 -13.289 -7.936 -10.079 1.00 0.00 C ATOM 300 OD1 ASN A 19 -12.677 -6.894 -10.034 1.00 0.00 O ATOM 301 ND2 ASN A 19 -13.846 -8.243 -11.201 1.00 0.00 N ATOM 0 H ASN A 19 -11.653 -11.360 -8.374 1.00 0.00 H new ATOM 0 HA ASN A 19 -11.416 -9.349 -9.485 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -14.018 -9.730 -9.128 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -13.869 -8.360 -8.045 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -13.759 -7.617 -12.002 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -14.373 -9.112 -11.288 1.00 0.00 H new ATOM 308 N TRP A 20 -10.176 -8.852 -7.088 1.00 0.00 N ATOM 309 CA TRP A 20 -9.187 -8.314 -6.149 1.00 0.00 C ATOM 310 C TRP A 20 -9.835 -8.688 -4.846 1.00 0.00 C ATOM 311 O TRP A 20 -11.020 -8.511 -4.654 1.00 0.00 O ATOM 312 CB TRP A 20 -9.047 -6.853 -6.239 1.00 0.00 C ATOM 313 CG TRP A 20 -8.449 -6.463 -7.595 1.00 0.00 C ATOM 314 CD1 TRP A 20 -9.207 -6.102 -8.674 1.00 0.00 C ATOM 315 CD2 TRP A 20 -7.123 -6.367 -7.920 1.00 0.00 C ATOM 316 NE1 TRP A 20 -8.300 -5.803 -9.584 1.00 0.00 N ATOM 317 CE2 TRP A 20 -7.030 -5.925 -9.223 1.00 0.00 C ATOM 318 CE3 TRP A 20 -5.934 -6.606 -7.225 1.00 0.00 C ATOM 319 CZ2 TRP A 20 -5.794 -5.716 -9.787 1.00 0.00 C ATOM 320 CZ3 TRP A 20 -4.708 -6.391 -7.827 1.00 0.00 C ATOM 321 CH2 TRP A 20 -4.644 -5.945 -9.103 1.00 0.00 C ATOM 0 H TRP A 20 -9.944 -9.813 -7.340 1.00 0.00 H new ATOM 0 HA TRP A 20 -8.178 -8.691 -6.314 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -10.020 -6.378 -6.112 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -8.408 -6.491 -5.434 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -10.283 -6.070 -8.760 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -8.563 -5.493 -10.520 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -5.973 -6.963 -6.206 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -5.736 -5.359 -10.805 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -3.798 -6.580 -7.277 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -3.687 -5.773 -9.573 1.00 0.00 H new ATOM 332 N ASP A 21 -9.040 -9.209 -3.987 1.00 0.00 N ATOM 333 CA ASP A 21 -9.550 -9.630 -2.647 1.00 0.00 C ATOM 334 C ASP A 21 -9.919 -8.382 -1.790 1.00 0.00 C ATOM 335 O ASP A 21 -9.585 -8.293 -0.635 1.00 0.00 O ATOM 336 CB ASP A 21 -8.413 -10.509 -2.057 1.00 0.00 C ATOM 337 CG ASP A 21 -8.874 -11.485 -0.968 1.00 0.00 C ATOM 338 OD1 ASP A 21 -9.638 -12.372 -1.323 1.00 0.00 O ATOM 339 OD2 ASP A 21 -8.442 -11.310 0.155 1.00 0.00 O ATOM 0 H ASP A 21 -8.045 -9.370 -4.141 1.00 0.00 H new ATOM 0 HA ASP A 21 -10.477 -10.203 -2.684 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.951 -11.076 -2.865 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.643 -9.858 -1.643 1.00 0.00 H new ATOM 344 N LEU A 22 -10.615 -7.416 -2.336 1.00 0.00 N ATOM 345 CA LEU A 22 -10.997 -6.212 -1.563 1.00 0.00 C ATOM 346 C LEU A 22 -12.195 -6.516 -0.688 1.00 0.00 C ATOM 347 O LEU A 22 -12.167 -6.229 0.491 1.00 0.00 O ATOM 348 CB LEU A 22 -11.375 -5.087 -2.486 1.00 0.00 C ATOM 349 CG LEU A 22 -10.216 -4.591 -3.318 1.00 0.00 C ATOM 350 CD1 LEU A 22 -10.545 -3.128 -3.635 1.00 0.00 C ATOM 351 CD2 LEU A 22 -8.829 -4.678 -2.666 1.00 0.00 C ATOM 0 H LEU A 22 -10.937 -7.419 -3.304 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.141 -5.922 -0.954 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.174 -5.421 -3.148 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -11.773 -4.260 -1.898 1.00 0.00 H new ATOM 0 HG LEU A 22 -10.127 -5.238 -4.191 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.746 -2.698 -4.239 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.484 -3.077 -4.186 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.639 -2.567 -2.705 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.078 -4.294 -3.356 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.819 -4.084 -1.752 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.604 -5.717 -2.426 1.00 0.00 H new ATOM 363 N GLY A 23 -13.212 -7.080 -1.289 1.00 0.00 N ATOM 364 CA GLY A 23 -14.446 -7.427 -0.502 1.00 0.00 C ATOM 365 C GLY A 23 -14.089 -8.340 0.689 1.00 0.00 C ATOM 366 O GLY A 23 -14.680 -8.263 1.748 1.00 0.00 O ATOM 0 H GLY A 23 -13.247 -7.315 -2.281 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -14.921 -6.516 -0.139 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -15.167 -7.927 -1.148 1.00 0.00 H new ATOM 370 N ALA A 24 -13.120 -9.179 0.436 1.00 0.00 N ATOM 371 CA ALA A 24 -12.590 -10.169 1.424 1.00 0.00 C ATOM 372 C ALA A 24 -12.332 -9.702 2.903 1.00 0.00 C ATOM 373 O ALA A 24 -11.548 -8.800 3.144 1.00 0.00 O ATOM 374 CB ALA A 24 -11.313 -10.709 0.821 1.00 0.00 C ATOM 0 H ALA A 24 -12.648 -9.220 -0.467 1.00 0.00 H new ATOM 0 HA ALA A 24 -13.385 -10.900 1.568 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.873 -11.442 1.497 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.534 -11.184 -0.135 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -10.610 -9.891 0.665 1.00 0.00 H new ATOM 380 N PRO A 25 -12.983 -10.332 3.858 1.00 0.00 N ATOM 381 CA PRO A 25 -13.033 -9.878 5.287 1.00 0.00 C ATOM 382 C PRO A 25 -11.779 -9.213 5.927 1.00 0.00 C ATOM 383 O PRO A 25 -11.909 -8.276 6.689 1.00 0.00 O ATOM 384 CB PRO A 25 -13.448 -11.136 6.088 1.00 0.00 C ATOM 385 CG PRO A 25 -13.617 -12.272 5.046 1.00 0.00 C ATOM 386 CD PRO A 25 -13.751 -11.601 3.684 1.00 0.00 C ATOM 0 HA PRO A 25 -13.728 -9.039 5.316 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -12.690 -11.395 6.827 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -14.377 -10.964 6.631 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -12.759 -12.944 5.064 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -14.498 -12.874 5.269 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.336 -12.218 2.887 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -14.793 -11.410 3.429 1.00 0.00 H new ATOM 394 N ALA A 26 -10.617 -9.714 5.605 1.00 0.00 N ATOM 395 CA ALA A 26 -9.322 -9.180 6.165 1.00 0.00 C ATOM 396 C ALA A 26 -8.649 -7.970 5.452 1.00 0.00 C ATOM 397 O ALA A 26 -7.635 -7.458 5.904 1.00 0.00 O ATOM 398 CB ALA A 26 -8.383 -10.399 6.196 1.00 0.00 C ATOM 0 H ALA A 26 -10.499 -10.494 4.959 1.00 0.00 H new ATOM 0 HA ALA A 26 -9.543 -8.737 7.136 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.412 -10.101 6.592 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.812 -11.173 6.832 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.259 -10.788 5.185 1.00 0.00 H new ATOM 404 N VAL A 27 -9.253 -7.560 4.367 1.00 0.00 N ATOM 405 CA VAL A 27 -8.725 -6.412 3.558 1.00 0.00 C ATOM 406 C VAL A 27 -9.548 -5.109 3.610 1.00 0.00 C ATOM 407 O VAL A 27 -9.140 -4.094 4.138 1.00 0.00 O ATOM 408 CB VAL A 27 -8.641 -6.879 2.078 1.00 0.00 C ATOM 409 CG1 VAL A 27 -7.672 -5.995 1.299 1.00 0.00 C ATOM 410 CG2 VAL A 27 -8.143 -8.349 1.997 1.00 0.00 C ATOM 0 H VAL A 27 -10.107 -7.978 3.998 1.00 0.00 H new ATOM 0 HA VAL A 27 -7.761 -6.156 3.998 1.00 0.00 H new ATOM 0 HB VAL A 27 -9.639 -6.806 1.647 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -7.623 -6.333 0.264 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -8.019 -4.962 1.327 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -6.681 -6.057 1.749 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -8.091 -8.658 0.953 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.153 -8.423 2.448 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.835 -8.998 2.533 1.00 0.00 H new ATOM 420 N SER A 28 -10.713 -5.242 3.035 1.00 0.00 N ATOM 421 CA SER A 28 -11.745 -4.177 2.894 1.00 0.00 C ATOM 422 C SER A 28 -11.182 -2.738 2.702 1.00 0.00 C ATOM 423 O SER A 28 -10.974 -1.970 3.630 1.00 0.00 O ATOM 424 CB SER A 28 -12.666 -4.237 4.134 1.00 0.00 C ATOM 425 OG SER A 28 -11.883 -3.815 5.250 1.00 0.00 O ATOM 0 H SER A 28 -11.010 -6.127 2.623 1.00 0.00 H new ATOM 0 HA SER A 28 -12.291 -4.380 1.973 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.533 -3.590 4.003 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.043 -5.248 4.287 1.00 0.00 H new ATOM 0 HG SER A 28 -11.448 -2.962 5.041 1.00 0.00 H new ATOM 431 N ALA A 29 -10.980 -2.455 1.435 1.00 0.00 N ATOM 432 CA ALA A 29 -10.428 -1.143 0.974 1.00 0.00 C ATOM 433 C ALA A 29 -11.440 -0.020 0.667 1.00 0.00 C ATOM 434 O ALA A 29 -12.544 -0.246 0.202 1.00 0.00 O ATOM 435 CB ALA A 29 -9.618 -1.428 -0.276 1.00 0.00 C ATOM 0 H ALA A 29 -11.184 -3.106 0.676 1.00 0.00 H new ATOM 0 HA ALA A 29 -9.853 -0.748 1.812 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.192 -0.498 -0.653 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.815 -2.125 -0.038 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.265 -1.866 -1.037 1.00 0.00 H new ATOM 441 N TYR A 30 -10.974 1.173 0.935 1.00 0.00 N ATOM 442 CA TYR A 30 -11.778 2.409 0.714 1.00 0.00 C ATOM 443 C TYR A 30 -12.786 2.446 -0.425 1.00 0.00 C ATOM 444 O TYR A 30 -13.921 2.780 -0.159 1.00 0.00 O ATOM 445 CB TYR A 30 -10.811 3.623 0.558 1.00 0.00 C ATOM 446 CG TYR A 30 -11.140 4.629 1.676 1.00 0.00 C ATOM 447 CD1 TYR A 30 -12.452 5.046 1.820 1.00 0.00 C ATOM 448 CD2 TYR A 30 -10.187 5.148 2.529 1.00 0.00 C ATOM 449 CE1 TYR A 30 -12.811 5.953 2.789 1.00 0.00 C ATOM 450 CE2 TYR A 30 -10.555 6.061 3.505 1.00 0.00 C ATOM 451 CZ TYR A 30 -11.865 6.464 3.639 1.00 0.00 C ATOM 452 OH TYR A 30 -12.220 7.379 4.604 1.00 0.00 O ATOM 0 H TYR A 30 -10.041 1.344 1.309 1.00 0.00 H new ATOM 0 HA TYR A 30 -12.408 2.443 1.603 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -9.773 3.297 0.630 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -10.933 4.086 -0.421 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -13.209 4.651 1.158 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -9.155 4.843 2.436 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -13.841 6.264 2.881 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -9.804 6.462 4.170 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.427 7.636 5.119 1.00 0.00 H new ATOM 462 N CYS A 31 -12.418 2.127 -1.633 1.00 0.00 N ATOM 463 CA CYS A 31 -13.471 2.186 -2.702 1.00 0.00 C ATOM 464 C CYS A 31 -13.851 0.785 -3.189 1.00 0.00 C ATOM 465 O CYS A 31 -14.257 0.604 -4.310 1.00 0.00 O ATOM 466 CB CYS A 31 -12.906 3.103 -3.845 1.00 0.00 C ATOM 467 SG CYS A 31 -12.787 4.868 -3.443 1.00 0.00 S ATOM 0 H CYS A 31 -11.484 1.841 -1.926 1.00 0.00 H new ATOM 0 HA CYS A 31 -14.400 2.609 -2.320 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.914 2.743 -4.119 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.540 2.990 -4.724 1.00 0.00 H new ATOM 472 N ALA A 32 -13.752 -0.227 -2.366 1.00 0.00 N ATOM 473 CA ALA A 32 -14.124 -1.601 -2.844 1.00 0.00 C ATOM 474 C ALA A 32 -15.615 -1.685 -3.239 1.00 0.00 C ATOM 475 O ALA A 32 -15.995 -2.428 -4.118 1.00 0.00 O ATOM 476 CB ALA A 32 -13.795 -2.588 -1.721 1.00 0.00 C ATOM 0 H ALA A 32 -13.435 -0.169 -1.398 1.00 0.00 H new ATOM 0 HA ALA A 32 -13.557 -1.845 -3.742 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -14.054 -3.598 -2.037 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -12.730 -2.540 -1.495 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.367 -2.329 -0.830 1.00 0.00 H new ATOM 482 N THR A 33 -16.411 -0.906 -2.559 1.00 0.00 N ATOM 483 CA THR A 33 -17.897 -0.840 -2.786 1.00 0.00 C ATOM 484 C THR A 33 -18.264 -0.080 -4.060 1.00 0.00 C ATOM 485 O THR A 33 -19.377 -0.166 -4.538 1.00 0.00 O ATOM 486 CB THR A 33 -18.534 -0.134 -1.591 1.00 0.00 C ATOM 487 OG1 THR A 33 -17.980 -0.813 -0.476 1.00 0.00 O ATOM 488 CG2 THR A 33 -20.024 -0.430 -1.457 1.00 0.00 C ATOM 0 H THR A 33 -16.083 -0.283 -1.821 1.00 0.00 H new ATOM 0 HA THR A 33 -18.265 -1.860 -2.897 1.00 0.00 H new ATOM 0 HB THR A 33 -18.374 0.941 -1.678 1.00 0.00 H new ATOM 0 HG1 THR A 33 -18.333 -0.425 0.352 1.00 0.00 H new ATOM 0 HG21 THR A 33 -20.423 0.098 -0.591 1.00 0.00 H new ATOM 0 HG22 THR A 33 -20.543 -0.098 -2.356 1.00 0.00 H new ATOM 0 HG23 THR A 33 -20.172 -1.502 -1.328 1.00 0.00 H new ATOM 496 N TRP A 34 -17.303 0.646 -4.568 1.00 0.00 N ATOM 497 CA TRP A 34 -17.481 1.468 -5.811 1.00 0.00 C ATOM 498 C TRP A 34 -16.529 1.139 -6.998 1.00 0.00 C ATOM 499 O TRP A 34 -16.867 1.421 -8.132 1.00 0.00 O ATOM 500 CB TRP A 34 -17.374 2.925 -5.265 1.00 0.00 C ATOM 501 CG TRP A 34 -18.531 3.105 -4.250 1.00 0.00 C ATOM 502 CD1 TRP A 34 -19.854 2.843 -4.491 1.00 0.00 C ATOM 503 CD2 TRP A 34 -18.399 3.509 -2.969 1.00 0.00 C ATOM 504 NE1 TRP A 34 -20.421 3.107 -3.328 1.00 0.00 N ATOM 505 CE2 TRP A 34 -19.625 3.512 -2.354 1.00 0.00 C ATOM 506 CE3 TRP A 34 -17.271 3.886 -2.275 1.00 0.00 C ATOM 507 CZ2 TRP A 34 -19.727 3.886 -1.037 1.00 0.00 C ATOM 508 CZ3 TRP A 34 -17.365 4.268 -0.944 1.00 0.00 C ATOM 509 CH2 TRP A 34 -18.604 4.263 -0.328 1.00 0.00 C ATOM 0 H TRP A 34 -16.370 0.707 -4.161 1.00 0.00 H new ATOM 0 HA TRP A 34 -18.430 1.260 -6.305 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -16.409 3.089 -4.785 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -17.454 3.649 -6.076 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -20.318 2.504 -5.406 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -21.426 3.003 -3.188 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -16.310 3.884 -2.768 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -20.692 3.885 -0.552 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -16.483 4.565 -0.396 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -18.693 4.554 0.708 1.00 0.00 H new ATOM 520 N ASP A 35 -15.381 0.566 -6.728 1.00 0.00 N ATOM 521 CA ASP A 35 -14.329 0.164 -7.738 1.00 0.00 C ATOM 522 C ASP A 35 -14.302 -1.327 -8.142 1.00 0.00 C ATOM 523 O ASP A 35 -14.259 -1.615 -9.320 1.00 0.00 O ATOM 524 CB ASP A 35 -12.903 0.445 -7.217 1.00 0.00 C ATOM 525 CG ASP A 35 -12.425 1.866 -7.376 1.00 0.00 C ATOM 526 OD1 ASP A 35 -13.240 2.746 -7.588 1.00 0.00 O ATOM 527 OD2 ASP A 35 -11.206 1.948 -7.271 1.00 0.00 O ATOM 0 H ASP A 35 -15.106 0.341 -5.772 1.00 0.00 H new ATOM 0 HA ASP A 35 -14.614 0.765 -8.602 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.862 0.182 -6.160 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -12.208 -0.215 -7.737 1.00 0.00 H new ATOM 532 N ALA A 36 -14.311 -2.192 -7.156 1.00 0.00 N ATOM 533 CA ALA A 36 -14.284 -3.698 -7.326 1.00 0.00 C ATOM 534 C ALA A 36 -15.182 -4.314 -8.422 1.00 0.00 C ATOM 535 O ALA A 36 -15.098 -5.480 -8.750 1.00 0.00 O ATOM 536 CB ALA A 36 -14.648 -4.304 -5.978 1.00 0.00 C ATOM 0 H ALA A 36 -14.338 -1.904 -6.178 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.278 -3.934 -7.672 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -14.641 -5.391 -6.054 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -13.922 -3.988 -5.229 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -15.642 -3.967 -5.684 1.00 0.00 H new ATOM 542 N SER A 37 -16.027 -3.465 -8.937 1.00 0.00 N ATOM 543 CA SER A 37 -17.031 -3.753 -10.015 1.00 0.00 C ATOM 544 C SER A 37 -16.456 -3.507 -11.429 1.00 0.00 C ATOM 545 O SER A 37 -16.867 -4.152 -12.376 1.00 0.00 O ATOM 546 CB SER A 37 -18.249 -2.837 -9.784 1.00 0.00 C ATOM 547 OG SER A 37 -17.695 -1.530 -9.945 1.00 0.00 O ATOM 0 H SER A 37 -16.065 -2.495 -8.625 1.00 0.00 H new ATOM 0 HA SER A 37 -17.310 -4.805 -9.963 1.00 0.00 H new ATOM 0 HB2 SER A 37 -19.044 -3.031 -10.504 1.00 0.00 H new ATOM 0 HB3 SER A 37 -18.677 -2.976 -8.791 1.00 0.00 H new ATOM 0 HG SER A 37 -18.398 -0.859 -9.818 1.00 0.00 H new ATOM 553 N LYS A 38 -15.526 -2.579 -11.535 1.00 0.00 N ATOM 554 CA LYS A 38 -14.893 -2.248 -12.864 1.00 0.00 C ATOM 555 C LYS A 38 -14.045 -3.448 -13.371 1.00 0.00 C ATOM 556 O LYS A 38 -13.304 -4.029 -12.605 1.00 0.00 O ATOM 557 CB LYS A 38 -13.951 -0.984 -12.731 1.00 0.00 C ATOM 558 CG LYS A 38 -14.658 0.414 -12.761 1.00 0.00 C ATOM 559 CD LYS A 38 -15.663 0.570 -11.578 1.00 0.00 C ATOM 560 CE LYS A 38 -16.054 2.051 -11.286 1.00 0.00 C ATOM 561 NZ LYS A 38 -16.616 2.667 -12.538 1.00 0.00 N ATOM 0 H LYS A 38 -15.174 -2.031 -10.750 1.00 0.00 H new ATOM 0 HA LYS A 38 -15.693 -2.035 -13.573 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.397 -1.067 -11.796 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -13.220 -1.015 -13.539 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.908 1.204 -12.710 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.186 0.536 -13.707 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -16.566 0.001 -11.801 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -15.225 0.134 -10.680 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -16.789 2.094 -10.483 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -15.181 2.611 -10.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -16.972 3.621 -12.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -15.870 2.729 -13.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -17.395 2.078 -12.895 1.00 0.00 H new ATOM 575 N PRO A 39 -14.159 -3.775 -14.641 1.00 0.00 N ATOM 576 CA PRO A 39 -13.555 -5.017 -15.220 1.00 0.00 C ATOM 577 C PRO A 39 -12.029 -5.128 -14.986 1.00 0.00 C ATOM 578 O PRO A 39 -11.305 -4.150 -15.063 1.00 0.00 O ATOM 579 CB PRO A 39 -13.964 -4.940 -16.712 1.00 0.00 C ATOM 580 CG PRO A 39 -14.095 -3.410 -16.942 1.00 0.00 C ATOM 581 CD PRO A 39 -14.868 -2.981 -15.686 1.00 0.00 C ATOM 0 HA PRO A 39 -13.914 -5.927 -14.740 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -13.212 -5.386 -17.363 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -14.902 -5.462 -16.904 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -13.124 -2.921 -17.014 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -14.638 -3.177 -17.858 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -14.802 -1.908 -15.506 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -15.927 -3.230 -15.747 1.00 0.00 H new ATOM 589 N LEU A 40 -11.549 -6.317 -14.714 1.00 0.00 N ATOM 590 CA LEU A 40 -10.085 -6.491 -14.474 1.00 0.00 C ATOM 591 C LEU A 40 -9.146 -5.680 -15.361 1.00 0.00 C ATOM 592 O LEU A 40 -8.145 -5.203 -14.876 1.00 0.00 O ATOM 593 CB LEU A 40 -9.736 -7.982 -14.605 1.00 0.00 C ATOM 594 CG LEU A 40 -9.146 -8.457 -13.263 1.00 0.00 C ATOM 595 CD1 LEU A 40 -10.228 -8.596 -12.189 1.00 0.00 C ATOM 596 CD2 LEU A 40 -8.437 -9.770 -13.490 1.00 0.00 C ATOM 0 H LEU A 40 -12.105 -7.169 -14.648 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.918 -6.100 -13.470 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.625 -8.560 -14.855 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.019 -8.135 -15.411 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.439 -7.712 -12.898 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.774 -8.933 -11.257 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.709 -7.631 -12.030 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.972 -9.323 -12.514 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.013 -10.122 -12.550 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.147 -10.507 -13.866 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.639 -9.631 -14.219 1.00 0.00 H new ATOM 608 N SER A 41 -9.481 -5.560 -16.618 1.00 0.00 N ATOM 609 CA SER A 41 -8.623 -4.784 -17.563 1.00 0.00 C ATOM 610 C SER A 41 -8.023 -3.499 -16.974 1.00 0.00 C ATOM 611 O SER A 41 -6.823 -3.405 -16.824 1.00 0.00 O ATOM 612 CB SER A 41 -9.444 -4.424 -18.800 1.00 0.00 C ATOM 613 OG SER A 41 -8.504 -3.656 -19.551 1.00 0.00 O ATOM 0 H SER A 41 -10.318 -5.969 -17.034 1.00 0.00 H new ATOM 0 HA SER A 41 -7.780 -5.431 -17.804 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.778 -5.308 -19.343 1.00 0.00 H new ATOM 0 HB3 SER A 41 -10.335 -3.849 -18.548 1.00 0.00 H new ATOM 0 HG SER A 41 -8.918 -3.360 -20.388 1.00 0.00 H new ATOM 619 N TRP A 42 -8.864 -2.553 -16.614 1.00 0.00 N ATOM 620 CA TRP A 42 -8.292 -1.283 -16.056 1.00 0.00 C ATOM 621 C TRP A 42 -7.750 -1.542 -14.647 1.00 0.00 C ATOM 622 O TRP A 42 -6.676 -1.090 -14.317 1.00 0.00 O ATOM 623 CB TRP A 42 -9.401 -0.200 -16.015 1.00 0.00 C ATOM 624 CG TRP A 42 -8.779 1.234 -16.062 1.00 0.00 C ATOM 625 CD1 TRP A 42 -8.473 1.880 -17.231 1.00 0.00 C ATOM 626 CD2 TRP A 42 -8.452 2.072 -15.035 1.00 0.00 C ATOM 627 NE1 TRP A 42 -7.994 3.041 -16.840 1.00 0.00 N ATOM 628 CE2 TRP A 42 -7.940 3.255 -15.542 1.00 0.00 C ATOM 629 CE3 TRP A 42 -8.546 1.928 -13.668 1.00 0.00 C ATOM 630 CZ2 TRP A 42 -7.538 4.271 -14.706 1.00 0.00 C ATOM 631 CZ3 TRP A 42 -8.145 2.940 -12.819 1.00 0.00 C ATOM 632 CH2 TRP A 42 -7.641 4.116 -13.340 1.00 0.00 C ATOM 0 H TRP A 42 -9.881 -2.600 -16.678 1.00 0.00 H new ATOM 0 HA TRP A 42 -7.475 -0.934 -16.688 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -10.079 -0.335 -16.858 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.994 -0.314 -15.108 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -8.597 1.519 -18.241 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -7.679 3.742 -17.511 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -8.939 1.011 -13.255 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -7.143 5.187 -15.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -8.225 2.813 -11.750 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -7.329 4.911 -12.679 1.00 0.00 H new ATOM 643 N ARG A 43 -8.507 -2.266 -13.867 1.00 0.00 N ATOM 644 CA ARG A 43 -8.072 -2.577 -12.459 1.00 0.00 C ATOM 645 C ARG A 43 -6.605 -3.120 -12.358 1.00 0.00 C ATOM 646 O ARG A 43 -5.830 -2.591 -11.581 1.00 0.00 O ATOM 647 CB ARG A 43 -9.085 -3.585 -11.890 1.00 0.00 C ATOM 648 CG ARG A 43 -10.564 -3.055 -11.921 1.00 0.00 C ATOM 649 CD ARG A 43 -10.800 -1.836 -10.966 1.00 0.00 C ATOM 650 NE ARG A 43 -10.482 -0.524 -11.670 1.00 0.00 N ATOM 651 CZ ARG A 43 -10.577 0.634 -11.106 1.00 0.00 C ATOM 652 NH1 ARG A 43 -10.478 0.677 -9.841 1.00 0.00 N ATOM 653 NH2 ARG A 43 -10.764 1.692 -11.804 1.00 0.00 N ATOM 0 H ARG A 43 -9.409 -2.659 -14.137 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.059 -1.655 -11.878 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.025 -4.512 -12.460 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.812 -3.824 -10.862 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -10.818 -2.765 -12.940 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -11.239 -3.864 -11.642 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -11.836 -1.830 -10.627 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -10.175 -1.938 -10.079 1.00 0.00 H new ATOM 0 HE ARG A 43 -10.177 -0.562 -12.642 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -10.329 -0.182 -9.312 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -10.547 1.571 -9.354 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -10.840 1.627 -12.819 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -10.837 2.600 -11.345 1.00 0.00 H new ATOM 667 N SER A 44 -6.301 -4.149 -13.118 1.00 0.00 N ATOM 668 CA SER A 44 -4.933 -4.796 -13.166 1.00 0.00 C ATOM 669 C SER A 44 -4.012 -3.860 -13.988 1.00 0.00 C ATOM 670 O SER A 44 -2.898 -3.617 -13.566 1.00 0.00 O ATOM 671 CB SER A 44 -5.052 -6.179 -13.855 1.00 0.00 C ATOM 672 OG SER A 44 -5.514 -5.878 -15.168 1.00 0.00 O ATOM 0 H SER A 44 -6.977 -4.592 -13.740 1.00 0.00 H new ATOM 0 HA SER A 44 -4.524 -4.943 -12.166 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.092 -6.695 -13.879 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.750 -6.828 -13.327 1.00 0.00 H new ATOM 0 HG SER A 44 -6.488 -5.768 -15.155 1.00 0.00 H new ATOM 678 N LYS A 45 -4.474 -3.365 -15.122 1.00 0.00 N ATOM 679 CA LYS A 45 -3.666 -2.428 -15.997 1.00 0.00 C ATOM 680 C LYS A 45 -3.053 -1.337 -15.113 1.00 0.00 C ATOM 681 O LYS A 45 -1.854 -1.133 -15.102 1.00 0.00 O ATOM 682 CB LYS A 45 -4.589 -1.778 -17.050 1.00 0.00 C ATOM 683 CG LYS A 45 -3.806 -0.801 -17.967 1.00 0.00 C ATOM 684 CD LYS A 45 -4.840 0.229 -18.555 1.00 0.00 C ATOM 685 CE LYS A 45 -4.214 1.217 -19.560 1.00 0.00 C ATOM 686 NZ LYS A 45 -3.854 0.448 -20.791 1.00 0.00 N ATOM 0 H LYS A 45 -5.402 -3.576 -15.489 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.878 -2.983 -16.506 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.054 -2.555 -17.657 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.394 -1.241 -16.548 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.030 -0.285 -17.402 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.308 -1.345 -18.770 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.646 -0.316 -19.046 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.289 0.791 -17.736 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.917 2.015 -19.800 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.330 1.689 -19.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.571 1.109 -21.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.064 -0.195 -20.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.676 -0.105 -21.107 1.00 0.00 H new ATOM 700 N TYR A 46 -3.903 -0.660 -14.400 1.00 0.00 N ATOM 701 CA TYR A 46 -3.408 0.419 -13.508 1.00 0.00 C ATOM 702 C TYR A 46 -3.346 -0.002 -12.057 1.00 0.00 C ATOM 703 O TYR A 46 -4.367 -0.067 -11.383 1.00 0.00 O ATOM 704 CB TYR A 46 -4.312 1.691 -13.610 1.00 0.00 C ATOM 705 CG TYR A 46 -3.453 2.866 -14.088 1.00 0.00 C ATOM 706 CD1 TYR A 46 -2.272 3.139 -13.421 1.00 0.00 C ATOM 707 CD2 TYR A 46 -3.813 3.662 -15.147 1.00 0.00 C ATOM 708 CE1 TYR A 46 -1.475 4.183 -13.812 1.00 0.00 C ATOM 709 CE2 TYR A 46 -3.004 4.724 -15.539 1.00 0.00 C ATOM 710 CZ TYR A 46 -1.826 4.979 -14.861 1.00 0.00 C ATOM 711 OH TYR A 46 -0.946 5.993 -15.170 1.00 0.00 O ATOM 0 H TYR A 46 -4.913 -0.805 -14.395 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.397 0.642 -13.849 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.134 1.516 -14.305 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.757 1.917 -12.641 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.975 2.524 -12.584 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.731 3.462 -15.680 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.555 4.378 -13.281 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.295 5.348 -16.371 1.00 0.00 H new ATOM 0 HH TYR A 46 -1.391 6.647 -15.748 1.00 0.00 H new ATOM 721 N GLY A 47 -2.122 -0.281 -11.645 1.00 0.00 N ATOM 722 CA GLY A 47 -1.838 -0.711 -10.219 1.00 0.00 C ATOM 723 C GLY A 47 -2.653 0.098 -9.188 1.00 0.00 C ATOM 724 O GLY A 47 -3.273 1.081 -9.512 1.00 0.00 O ATOM 0 H GLY A 47 -1.296 -0.229 -12.241 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.068 -1.771 -10.109 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.775 -0.592 -10.011 1.00 0.00 H new ATOM 728 N TRP A 48 -2.645 -0.275 -7.945 1.00 0.00 N ATOM 729 CA TRP A 48 -3.426 0.459 -6.885 1.00 0.00 C ATOM 730 C TRP A 48 -2.871 0.131 -5.518 1.00 0.00 C ATOM 731 O TRP A 48 -3.259 -0.790 -4.849 1.00 0.00 O ATOM 732 CB TRP A 48 -4.943 0.072 -7.112 1.00 0.00 C ATOM 733 CG TRP A 48 -5.309 -1.378 -6.816 1.00 0.00 C ATOM 734 CD1 TRP A 48 -4.367 -2.329 -6.763 1.00 0.00 C ATOM 735 CD2 TRP A 48 -6.533 -1.922 -6.551 1.00 0.00 C ATOM 736 NE1 TRP A 48 -5.040 -3.419 -6.464 1.00 0.00 N ATOM 737 CE2 TRP A 48 -6.322 -3.257 -6.320 1.00 0.00 C ATOM 738 CE3 TRP A 48 -7.846 -1.500 -6.480 1.00 0.00 C ATOM 739 CZ2 TRP A 48 -7.290 -4.140 -6.028 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -8.867 -2.393 -6.192 1.00 0.00 C ATOM 741 CH2 TRP A 48 -8.578 -3.726 -5.961 1.00 0.00 C ATOM 0 H TRP A 48 -2.120 -1.077 -7.598 1.00 0.00 H new ATOM 0 HA TRP A 48 -3.342 1.544 -6.951 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.560 0.718 -6.487 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -5.202 0.288 -8.148 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -3.305 -2.225 -6.927 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -4.588 -4.327 -6.353 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -8.081 -0.460 -6.651 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -7.043 -5.176 -5.847 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -9.889 -2.047 -6.148 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -9.367 -4.426 -5.731 1.00 0.00 H new ATOM 752 N THR A 49 -1.934 0.925 -5.123 1.00 0.00 N ATOM 753 CA THR A 49 -1.279 0.724 -3.800 1.00 0.00 C ATOM 754 C THR A 49 -1.999 1.463 -2.658 1.00 0.00 C ATOM 755 O THR A 49 -3.108 1.959 -2.794 1.00 0.00 O ATOM 756 CB THR A 49 0.185 1.178 -3.993 1.00 0.00 C ATOM 757 OG1 THR A 49 0.913 0.754 -2.855 1.00 0.00 O ATOM 758 CG2 THR A 49 0.410 2.675 -3.902 1.00 0.00 C ATOM 0 H THR A 49 -1.583 1.718 -5.661 1.00 0.00 H new ATOM 0 HA THR A 49 -1.325 -0.320 -3.489 1.00 0.00 H new ATOM 0 HB THR A 49 0.467 0.788 -4.971 1.00 0.00 H new ATOM 0 HG1 THR A 49 1.429 1.507 -2.498 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.467 2.894 -4.051 1.00 0.00 H new ATOM 0 HG22 THR A 49 -0.176 3.178 -4.671 1.00 0.00 H new ATOM 0 HG23 THR A 49 0.101 3.030 -2.919 1.00 0.00 H new ATOM 766 N ALA A 50 -1.330 1.520 -1.536 1.00 0.00 N ATOM 767 CA ALA A 50 -1.939 2.198 -0.360 1.00 0.00 C ATOM 768 C ALA A 50 -1.087 3.332 0.208 1.00 0.00 C ATOM 769 O ALA A 50 0.124 3.336 0.095 1.00 0.00 O ATOM 770 CB ALA A 50 -2.153 1.126 0.691 1.00 0.00 C ATOM 0 H ALA A 50 -0.399 1.131 -1.386 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.870 2.672 -0.669 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.600 1.572 1.580 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.818 0.358 0.297 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.195 0.677 0.953 1.00 0.00 H new ATOM 776 N PHE A 51 -1.741 4.280 0.811 1.00 0.00 N ATOM 777 CA PHE A 51 -0.998 5.424 1.413 1.00 0.00 C ATOM 778 C PHE A 51 -1.431 5.514 2.880 1.00 0.00 C ATOM 779 O PHE A 51 -2.592 5.341 3.185 1.00 0.00 O ATOM 780 CB PHE A 51 -1.352 6.711 0.660 1.00 0.00 C ATOM 781 CG PHE A 51 -0.187 7.667 0.927 1.00 0.00 C ATOM 782 CD1 PHE A 51 1.054 7.381 0.388 1.00 0.00 C ATOM 783 CD2 PHE A 51 -0.345 8.792 1.705 1.00 0.00 C ATOM 784 CE1 PHE A 51 2.129 8.204 0.622 1.00 0.00 C ATOM 785 CE2 PHE A 51 0.730 9.622 1.943 1.00 0.00 C ATOM 786 CZ PHE A 51 1.966 9.328 1.403 1.00 0.00 C ATOM 0 H PHE A 51 -2.755 4.315 0.915 1.00 0.00 H new ATOM 0 HA PHE A 51 0.081 5.284 1.347 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.470 6.523 -0.407 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -2.294 7.129 1.016 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.180 6.500 -0.224 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.311 9.024 2.129 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.094 7.972 0.197 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.605 10.504 2.553 1.00 0.00 H new ATOM 0 HZ PHE A 51 2.806 9.979 1.593 1.00 0.00 H new ATOM 796 N CYS A 52 -0.499 5.788 3.747 1.00 0.00 N ATOM 797 CA CYS A 52 -0.834 5.888 5.205 1.00 0.00 C ATOM 798 C CYS A 52 -0.779 7.392 5.519 1.00 0.00 C ATOM 799 O CYS A 52 -1.807 8.026 5.622 1.00 0.00 O ATOM 800 CB CYS A 52 0.230 4.999 5.929 1.00 0.00 C ATOM 801 SG CYS A 52 -0.094 4.376 7.597 1.00 0.00 S ATOM 0 H CYS A 52 0.481 5.948 3.516 1.00 0.00 H new ATOM 0 HA CYS A 52 -1.813 5.530 5.523 1.00 0.00 H new ATOM 0 HB2 CYS A 52 0.418 4.135 5.291 1.00 0.00 H new ATOM 0 HB3 CYS A 52 1.156 5.572 5.971 1.00 0.00 H new ATOM 806 N GLY A 53 0.399 7.945 5.655 1.00 0.00 N ATOM 807 CA GLY A 53 0.533 9.416 5.951 1.00 0.00 C ATOM 808 C GLY A 53 1.536 10.433 5.350 1.00 0.00 C ATOM 809 O GLY A 53 1.148 11.459 4.820 1.00 0.00 O ATOM 0 H GLY A 53 1.283 7.443 5.574 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.452 9.836 5.745 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.685 9.474 7.029 1.00 0.00 H new ATOM 813 N PRO A 54 2.812 10.114 5.425 1.00 0.00 N ATOM 814 CA PRO A 54 3.893 11.127 5.639 1.00 0.00 C ATOM 815 C PRO A 54 3.809 12.412 4.787 1.00 0.00 C ATOM 816 O PRO A 54 3.695 13.499 5.324 1.00 0.00 O ATOM 817 CB PRO A 54 5.198 10.298 5.422 1.00 0.00 C ATOM 818 CG PRO A 54 4.728 9.015 4.671 1.00 0.00 C ATOM 819 CD PRO A 54 3.353 8.733 5.272 1.00 0.00 C ATOM 0 HA PRO A 54 3.822 11.574 6.631 1.00 0.00 H new ATOM 0 HB2 PRO A 54 5.929 10.855 4.836 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.673 10.050 6.371 1.00 0.00 H new ATOM 0 HG2 PRO A 54 4.670 9.179 3.595 1.00 0.00 H new ATOM 0 HG3 PRO A 54 5.414 8.183 4.830 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.735 8.120 4.616 1.00 0.00 H new ATOM 0 HD3 PRO A 54 3.421 8.210 6.226 1.00 0.00 H new ATOM 827 N ALA A 55 3.873 12.241 3.491 1.00 0.00 N ATOM 828 CA ALA A 55 3.803 13.427 2.568 1.00 0.00 C ATOM 829 C ALA A 55 2.815 13.280 1.370 1.00 0.00 C ATOM 830 O ALA A 55 3.134 13.559 0.226 1.00 0.00 O ATOM 831 CB ALA A 55 5.267 13.666 2.124 1.00 0.00 C ATOM 0 H ALA A 55 3.970 11.337 3.028 1.00 0.00 H new ATOM 0 HA ALA A 55 3.380 14.286 3.089 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.307 14.518 1.445 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.884 13.870 2.999 1.00 0.00 H new ATOM 0 HB3 ALA A 55 5.642 12.778 1.615 1.00 0.00 H new ATOM 837 N GLY A 56 1.622 12.849 1.694 1.00 0.00 N ATOM 838 CA GLY A 56 0.535 12.647 0.667 1.00 0.00 C ATOM 839 C GLY A 56 -0.877 13.079 1.125 1.00 0.00 C ATOM 840 O GLY A 56 -1.514 12.315 1.833 1.00 0.00 O ATOM 0 H GLY A 56 1.343 12.621 2.648 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.796 13.204 -0.233 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.506 11.593 0.392 1.00 0.00 H new ATOM 844 N PRO A 57 -1.358 14.249 0.739 1.00 0.00 N ATOM 845 CA PRO A 57 -2.740 14.672 1.123 1.00 0.00 C ATOM 846 C PRO A 57 -3.816 13.904 0.297 1.00 0.00 C ATOM 847 O PRO A 57 -4.130 14.207 -0.834 1.00 0.00 O ATOM 848 CB PRO A 57 -2.737 16.216 0.889 1.00 0.00 C ATOM 849 CG PRO A 57 -1.308 16.579 0.370 1.00 0.00 C ATOM 850 CD PRO A 57 -0.644 15.267 -0.073 1.00 0.00 C ATOM 0 HA PRO A 57 -3.000 14.437 2.155 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.498 16.501 0.163 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.962 16.750 1.812 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.367 17.281 -0.461 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.724 17.061 1.154 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.767 15.092 -1.142 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.427 15.267 0.129 1.00 0.00 H new ATOM 858 N ARG A 58 -4.372 12.911 0.911 1.00 0.00 N ATOM 859 CA ARG A 58 -5.419 12.070 0.264 1.00 0.00 C ATOM 860 C ARG A 58 -6.491 11.639 1.297 1.00 0.00 C ATOM 861 O ARG A 58 -6.502 12.121 2.416 1.00 0.00 O ATOM 862 CB ARG A 58 -4.600 10.912 -0.443 1.00 0.00 C ATOM 863 CG ARG A 58 -4.889 9.431 -0.016 1.00 0.00 C ATOM 864 CD ARG A 58 -4.484 9.120 1.400 1.00 0.00 C ATOM 865 NE ARG A 58 -5.721 8.996 2.236 1.00 0.00 N ATOM 866 CZ ARG A 58 -5.677 9.329 3.476 1.00 0.00 C ATOM 867 NH1 ARG A 58 -5.199 10.452 3.823 1.00 0.00 N ATOM 868 NH2 ARG A 58 -6.120 8.513 4.337 1.00 0.00 N ATOM 0 H ARG A 58 -4.142 12.633 1.865 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.024 12.580 -0.486 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.774 10.989 -1.516 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.540 11.105 -0.277 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.954 9.230 -0.133 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.362 8.758 -0.692 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.910 8.194 1.434 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.841 9.908 1.791 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.589 8.651 1.825 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.847 11.097 3.116 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.167 10.710 4.809 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.501 7.615 4.040 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.096 8.754 5.328 1.00 0.00 H new ATOM 882 N GLY A 59 -7.357 10.739 0.923 1.00 0.00 N ATOM 883 CA GLY A 59 -8.461 10.229 1.805 1.00 0.00 C ATOM 884 C GLY A 59 -9.624 9.989 0.852 1.00 0.00 C ATOM 885 O GLY A 59 -9.444 9.245 -0.091 1.00 0.00 O ATOM 0 H GLY A 59 -7.348 10.312 -0.003 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.170 9.311 2.316 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.722 10.954 2.576 1.00 0.00 H new ATOM 889 N GLN A 60 -10.739 10.617 1.119 1.00 0.00 N ATOM 890 CA GLN A 60 -11.945 10.450 0.243 1.00 0.00 C ATOM 891 C GLN A 60 -11.701 10.973 -1.207 1.00 0.00 C ATOM 892 O GLN A 60 -11.685 10.234 -2.176 1.00 0.00 O ATOM 893 CB GLN A 60 -13.128 11.226 0.911 1.00 0.00 C ATOM 894 CG GLN A 60 -13.444 10.686 2.349 1.00 0.00 C ATOM 895 CD GLN A 60 -14.488 11.571 3.060 1.00 0.00 C ATOM 896 OE1 GLN A 60 -15.647 11.618 2.719 1.00 0.00 O ATOM 897 NE2 GLN A 60 -14.137 12.306 4.065 1.00 0.00 N ATOM 0 H GLN A 60 -10.870 11.245 1.912 1.00 0.00 H new ATOM 0 HA GLN A 60 -12.175 9.389 0.151 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -12.881 12.286 0.968 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -14.017 11.139 0.287 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -13.815 9.663 2.283 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -12.528 10.655 2.938 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -13.170 12.299 4.389 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -14.828 12.892 4.534 1.00 0.00 H new ATOM 906 N ALA A 61 -11.496 12.264 -1.309 1.00 0.00 N ATOM 907 CA ALA A 61 -11.252 12.928 -2.638 1.00 0.00 C ATOM 908 C ALA A 61 -9.800 12.737 -3.146 1.00 0.00 C ATOM 909 O ALA A 61 -9.064 13.625 -3.544 1.00 0.00 O ATOM 910 CB ALA A 61 -11.611 14.412 -2.449 1.00 0.00 C ATOM 0 H ALA A 61 -11.487 12.902 -0.513 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.870 12.471 -3.411 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -11.453 14.947 -3.386 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -12.657 14.499 -2.154 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.978 14.844 -1.673 1.00 0.00 H new ATOM 916 N ALA A 62 -9.454 11.488 -3.078 1.00 0.00 N ATOM 917 CA ALA A 62 -8.144 10.916 -3.488 1.00 0.00 C ATOM 918 C ALA A 62 -8.401 9.690 -4.391 1.00 0.00 C ATOM 919 O ALA A 62 -7.547 9.345 -5.186 1.00 0.00 O ATOM 920 CB ALA A 62 -7.407 10.527 -2.239 1.00 0.00 C ATOM 0 H ALA A 62 -10.091 10.776 -2.720 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.546 11.634 -4.050 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.439 10.103 -2.505 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.258 11.408 -1.615 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.989 9.787 -1.689 1.00 0.00 H new ATOM 926 N CYS A 63 -9.560 9.073 -4.257 1.00 0.00 N ATOM 927 CA CYS A 63 -9.944 7.859 -5.076 1.00 0.00 C ATOM 928 C CYS A 63 -10.097 8.145 -6.608 1.00 0.00 C ATOM 929 O CYS A 63 -10.901 7.565 -7.305 1.00 0.00 O ATOM 930 CB CYS A 63 -11.280 7.322 -4.452 1.00 0.00 C ATOM 931 SG CYS A 63 -12.114 5.838 -5.086 1.00 0.00 S ATOM 0 H CYS A 63 -10.278 9.367 -3.595 1.00 0.00 H new ATOM 0 HA CYS A 63 -9.144 7.120 -5.030 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -11.083 7.144 -3.395 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -12.002 8.136 -4.509 1.00 0.00 H new ATOM 936 N GLY A 64 -9.319 9.064 -7.103 1.00 0.00 N ATOM 937 CA GLY A 64 -9.293 9.479 -8.541 1.00 0.00 C ATOM 938 C GLY A 64 -7.874 9.922 -8.931 1.00 0.00 C ATOM 939 O GLY A 64 -7.677 10.380 -10.038 1.00 0.00 O ATOM 0 H GLY A 64 -8.653 9.581 -6.529 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.612 8.651 -9.174 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.997 10.295 -8.706 1.00 0.00 H new ATOM 943 N LYS A 65 -6.929 9.773 -8.023 1.00 0.00 N ATOM 944 CA LYS A 65 -5.514 10.177 -8.291 1.00 0.00 C ATOM 945 C LYS A 65 -4.581 8.951 -8.260 1.00 0.00 C ATOM 946 O LYS A 65 -4.891 7.895 -7.728 1.00 0.00 O ATOM 947 CB LYS A 65 -5.085 11.200 -7.197 1.00 0.00 C ATOM 948 CG LYS A 65 -6.107 12.372 -7.113 1.00 0.00 C ATOM 949 CD LYS A 65 -5.792 13.240 -5.861 1.00 0.00 C ATOM 950 CE LYS A 65 -6.917 14.268 -5.691 1.00 0.00 C ATOM 951 NZ LYS A 65 -6.795 14.936 -4.351 1.00 0.00 N ATOM 0 H LYS A 65 -7.087 9.382 -7.094 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.442 10.626 -9.281 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.016 10.700 -6.231 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.093 11.591 -7.425 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.054 12.982 -8.015 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.122 11.981 -7.052 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.715 12.612 -4.974 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.833 13.743 -5.980 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.865 15.013 -6.485 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.887 13.778 -5.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.575 14.626 -3.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.887 14.677 -3.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.839 15.968 -4.472 1.00 0.00 H new ATOM 965 N CYS A 66 -3.426 9.150 -8.832 1.00 0.00 N ATOM 966 CA CYS A 66 -2.396 8.084 -8.897 1.00 0.00 C ATOM 967 C CYS A 66 -1.097 8.536 -8.175 1.00 0.00 C ATOM 968 O CYS A 66 -0.867 9.673 -7.819 1.00 0.00 O ATOM 969 CB CYS A 66 -2.206 7.771 -10.411 1.00 0.00 C ATOM 970 SG CYS A 66 -3.437 6.646 -11.134 1.00 0.00 S ATOM 0 H CYS A 66 -3.150 10.030 -9.267 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.693 7.174 -8.376 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.227 8.710 -10.964 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -1.215 7.339 -10.554 1.00 0.00 H new ATOM 975 N LEU A 67 -0.249 7.585 -7.959 1.00 0.00 N ATOM 976 CA LEU A 67 1.064 7.796 -7.268 1.00 0.00 C ATOM 977 C LEU A 67 2.222 7.263 -8.153 1.00 0.00 C ATOM 978 O LEU A 67 2.180 6.111 -8.552 1.00 0.00 O ATOM 979 CB LEU A 67 0.915 7.045 -5.928 1.00 0.00 C ATOM 980 CG LEU A 67 1.616 7.737 -4.760 1.00 0.00 C ATOM 981 CD1 LEU A 67 1.368 6.889 -3.495 1.00 0.00 C ATOM 982 CD2 LEU A 67 3.116 7.800 -5.018 1.00 0.00 C ATOM 0 H LEU A 67 -0.411 6.619 -8.243 1.00 0.00 H new ATOM 0 HA LEU A 67 1.308 8.844 -7.092 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.145 6.941 -5.695 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.318 6.038 -6.038 1.00 0.00 H new ATOM 0 HG LEU A 67 1.231 8.750 -4.640 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.857 7.358 -2.641 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.297 6.821 -3.307 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.775 5.889 -3.642 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.609 8.295 -4.181 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.510 6.789 -5.125 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.305 8.361 -5.933 1.00 0.00 H new ATOM 994 N ARG A 68 3.225 8.063 -8.432 1.00 0.00 N ATOM 995 CA ARG A 68 4.342 7.543 -9.293 1.00 0.00 C ATOM 996 C ARG A 68 5.426 7.109 -8.310 1.00 0.00 C ATOM 997 O ARG A 68 5.820 7.876 -7.448 1.00 0.00 O ATOM 998 CB ARG A 68 4.902 8.666 -10.245 1.00 0.00 C ATOM 999 CG ARG A 68 6.259 8.173 -10.875 1.00 0.00 C ATOM 1000 CD ARG A 68 6.993 9.259 -11.700 1.00 0.00 C ATOM 1001 NE ARG A 68 6.860 8.919 -13.157 1.00 0.00 N ATOM 1002 CZ ARG A 68 6.999 9.808 -14.059 1.00 0.00 C ATOM 1003 NH1 ARG A 68 6.120 10.711 -14.170 1.00 0.00 N ATOM 1004 NH2 ARG A 68 8.016 9.745 -14.809 1.00 0.00 N ATOM 0 H ARG A 68 3.321 9.027 -8.113 1.00 0.00 H new ATOM 0 HA ARG A 68 4.003 6.730 -9.936 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.180 8.888 -11.031 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.059 9.589 -9.687 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.917 7.830 -10.076 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.061 7.314 -11.516 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.565 10.241 -11.499 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.044 9.305 -11.416 1.00 0.00 H new ATOM 0 HE ARG A 68 6.654 7.958 -13.430 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.316 10.720 -13.543 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.216 11.430 -14.887 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.697 8.997 -14.683 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.154 10.443 -15.540 1.00 0.00 H new ATOM 1018 N VAL A 69 5.859 5.891 -8.501 1.00 0.00 N ATOM 1019 CA VAL A 69 6.910 5.251 -7.660 1.00 0.00 C ATOM 1020 C VAL A 69 8.087 4.925 -8.587 1.00 0.00 C ATOM 1021 O VAL A 69 7.913 4.413 -9.679 1.00 0.00 O ATOM 1022 CB VAL A 69 6.345 3.941 -7.027 1.00 0.00 C ATOM 1023 CG1 VAL A 69 7.415 3.282 -6.152 1.00 0.00 C ATOM 1024 CG2 VAL A 69 5.099 4.222 -6.172 1.00 0.00 C ATOM 0 H VAL A 69 5.507 5.286 -9.243 1.00 0.00 H new ATOM 0 HA VAL A 69 7.227 5.910 -6.852 1.00 0.00 H new ATOM 0 HB VAL A 69 6.063 3.274 -7.841 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.014 2.368 -5.713 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.285 3.040 -6.762 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.708 3.968 -5.357 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.732 3.288 -5.746 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.357 4.911 -5.367 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.323 4.667 -6.795 1.00 0.00 H new ATOM 1034 N THR A 70 9.261 5.240 -8.117 1.00 0.00 N ATOM 1035 CA THR A 70 10.545 5.003 -8.866 1.00 0.00 C ATOM 1036 C THR A 70 11.574 4.206 -8.032 1.00 0.00 C ATOM 1037 O THR A 70 11.671 4.372 -6.827 1.00 0.00 O ATOM 1038 CB THR A 70 11.102 6.375 -9.256 1.00 0.00 C ATOM 1039 OG1 THR A 70 10.187 6.861 -10.236 1.00 0.00 O ATOM 1040 CG2 THR A 70 12.412 6.238 -10.019 1.00 0.00 C ATOM 0 H THR A 70 9.396 5.672 -7.203 1.00 0.00 H new ATOM 0 HA THR A 70 10.346 4.396 -9.749 1.00 0.00 H new ATOM 0 HB THR A 70 11.240 6.990 -8.366 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.474 7.747 -10.541 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.784 7.228 -10.283 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.146 5.729 -9.394 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.245 5.659 -10.927 1.00 0.00 H new ATOM 1048 N ASN A 71 12.316 3.378 -8.723 1.00 0.00 N ATOM 1049 CA ASN A 71 13.387 2.480 -8.150 1.00 0.00 C ATOM 1050 C ASN A 71 14.887 2.888 -8.395 1.00 0.00 C ATOM 1051 O ASN A 71 15.435 2.461 -9.397 1.00 0.00 O ATOM 1052 CB ASN A 71 13.099 1.074 -8.747 1.00 0.00 C ATOM 1053 CG ASN A 71 14.059 0.015 -8.193 1.00 0.00 C ATOM 1054 OD1 ASN A 71 15.047 0.319 -7.553 1.00 0.00 O ATOM 1055 ND2 ASN A 71 13.849 -1.244 -8.398 1.00 0.00 N ATOM 0 H ASN A 71 12.219 3.278 -9.733 1.00 0.00 H new ATOM 0 HA ASN A 71 13.317 2.540 -7.064 1.00 0.00 H new ATOM 0 HB2 ASN A 71 12.072 0.787 -8.523 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.189 1.114 -9.833 1.00 0.00 H new ATOM 0 HD21 ASN A 71 14.500 -1.937 -8.028 1.00 0.00 H new ATOM 0 HD22 ASN A 71 13.032 -1.545 -8.930 1.00 0.00 H new ATOM 1062 N PRO A 72 15.517 3.647 -7.511 1.00 0.00 N ATOM 1063 CA PRO A 72 16.840 4.314 -7.785 1.00 0.00 C ATOM 1064 C PRO A 72 17.967 3.335 -8.181 1.00 0.00 C ATOM 1065 O PRO A 72 19.016 3.729 -8.653 1.00 0.00 O ATOM 1066 CB PRO A 72 17.177 5.075 -6.496 1.00 0.00 C ATOM 1067 CG PRO A 72 15.812 5.223 -5.776 1.00 0.00 C ATOM 1068 CD PRO A 72 15.033 3.944 -6.134 1.00 0.00 C ATOM 0 HA PRO A 72 16.759 4.971 -8.651 1.00 0.00 H new ATOM 0 HB2 PRO A 72 17.893 4.526 -5.884 1.00 0.00 H new ATOM 0 HB3 PRO A 72 17.621 6.047 -6.711 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.942 5.317 -4.698 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.283 6.115 -6.112 1.00 0.00 H new ATOM 0 HD2 PRO A 72 15.250 3.130 -5.443 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.955 4.105 -6.108 1.00 0.00 H new ATOM 1076 N ALA A 73 17.689 2.077 -7.950 1.00 0.00 N ATOM 1077 CA ALA A 73 18.637 0.975 -8.253 1.00 0.00 C ATOM 1078 C ALA A 73 18.419 0.459 -9.691 1.00 0.00 C ATOM 1079 O ALA A 73 19.375 0.273 -10.413 1.00 0.00 O ATOM 1080 CB ALA A 73 18.398 -0.130 -7.211 1.00 0.00 C ATOM 0 H ALA A 73 16.806 1.763 -7.547 1.00 0.00 H new ATOM 0 HA ALA A 73 19.670 1.318 -8.198 1.00 0.00 H new ATOM 0 HB1 ALA A 73 19.078 -0.961 -7.400 1.00 0.00 H new ATOM 0 HB2 ALA A 73 18.578 0.267 -6.212 1.00 0.00 H new ATOM 0 HB3 ALA A 73 17.368 -0.480 -7.282 1.00 0.00 H new ATOM 1086 N THR A 74 17.191 0.243 -10.082 1.00 0.00 N ATOM 1087 CA THR A 74 16.953 -0.266 -11.494 1.00 0.00 C ATOM 1088 C THR A 74 16.660 0.847 -12.493 1.00 0.00 C ATOM 1089 O THR A 74 16.795 0.654 -13.684 1.00 0.00 O ATOM 1090 CB THR A 74 15.748 -1.222 -11.547 1.00 0.00 C ATOM 1091 OG1 THR A 74 14.675 -0.432 -11.054 1.00 0.00 O ATOM 1092 CG2 THR A 74 15.885 -2.352 -10.543 1.00 0.00 C ATOM 0 H THR A 74 16.355 0.387 -9.515 1.00 0.00 H new ATOM 0 HA THR A 74 17.881 -0.769 -11.765 1.00 0.00 H new ATOM 0 HB THR A 74 15.635 -1.637 -12.548 1.00 0.00 H new ATOM 0 HG1 THR A 74 13.883 -0.996 -10.931 1.00 0.00 H new ATOM 0 HG21 THR A 74 15.015 -3.006 -10.610 1.00 0.00 H new ATOM 0 HG22 THR A 74 16.787 -2.924 -10.760 1.00 0.00 H new ATOM 0 HG23 THR A 74 15.951 -1.939 -9.537 1.00 0.00 H new ATOM 1100 N GLY A 75 16.245 1.973 -11.976 1.00 0.00 N ATOM 1101 CA GLY A 75 15.912 3.143 -12.848 1.00 0.00 C ATOM 1102 C GLY A 75 14.461 2.997 -13.310 1.00 0.00 C ATOM 1103 O GLY A 75 13.927 3.870 -13.958 1.00 0.00 O ATOM 0 H GLY A 75 16.121 2.136 -10.977 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.044 4.076 -12.300 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.582 3.180 -13.707 1.00 0.00 H new ATOM 1107 N ALA A 76 13.852 1.893 -12.950 1.00 0.00 N ATOM 1108 CA ALA A 76 12.447 1.655 -13.357 1.00 0.00 C ATOM 1109 C ALA A 76 11.491 2.504 -12.509 1.00 0.00 C ATOM 1110 O ALA A 76 11.710 2.766 -11.342 1.00 0.00 O ATOM 1111 CB ALA A 76 12.190 0.149 -13.183 1.00 0.00 C ATOM 0 H ALA A 76 14.274 1.151 -12.392 1.00 0.00 H new ATOM 0 HA ALA A 76 12.273 1.947 -14.393 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.164 -0.081 -13.471 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.878 -0.413 -13.814 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.345 -0.129 -12.140 1.00 0.00 H new ATOM 1117 N GLN A 77 10.447 2.914 -13.160 1.00 0.00 N ATOM 1118 CA GLN A 77 9.378 3.751 -12.535 1.00 0.00 C ATOM 1119 C GLN A 77 8.015 3.221 -12.978 1.00 0.00 C ATOM 1120 O GLN A 77 7.793 2.939 -14.139 1.00 0.00 O ATOM 1121 CB GLN A 77 9.549 5.234 -12.986 1.00 0.00 C ATOM 1122 CG GLN A 77 9.986 5.250 -14.486 1.00 0.00 C ATOM 1123 CD GLN A 77 9.774 6.593 -15.173 1.00 0.00 C ATOM 1124 OE1 GLN A 77 9.732 7.648 -14.583 1.00 0.00 O ATOM 1125 NE2 GLN A 77 9.631 6.629 -16.456 1.00 0.00 N ATOM 0 H GLN A 77 10.279 2.697 -14.142 1.00 0.00 H new ATOM 0 HA GLN A 77 9.451 3.703 -11.449 1.00 0.00 H new ATOM 0 HB2 GLN A 77 8.614 5.779 -12.858 1.00 0.00 H new ATOM 0 HB3 GLN A 77 10.296 5.734 -12.369 1.00 0.00 H new ATOM 0 HG2 GLN A 77 11.040 4.982 -14.551 1.00 0.00 H new ATOM 0 HG3 GLN A 77 9.429 4.484 -15.026 1.00 0.00 H new ATOM 0 HE21 GLN A 77 9.659 5.765 -16.997 1.00 0.00 H new ATOM 0 HE22 GLN A 77 9.490 7.522 -16.929 1.00 0.00 H new ATOM 1134 N ILE A 78 7.140 3.106 -12.030 1.00 0.00 N ATOM 1135 CA ILE A 78 5.760 2.609 -12.283 1.00 0.00 C ATOM 1136 C ILE A 78 4.756 3.590 -11.661 1.00 0.00 C ATOM 1137 O ILE A 78 5.100 4.345 -10.768 1.00 0.00 O ATOM 1138 CB ILE A 78 5.684 1.215 -11.654 1.00 0.00 C ATOM 1139 CG1 ILE A 78 4.519 0.432 -12.293 1.00 0.00 C ATOM 1140 CG2 ILE A 78 5.491 1.274 -10.112 1.00 0.00 C ATOM 1141 CD1 ILE A 78 4.922 -0.112 -13.686 1.00 0.00 C ATOM 0 H ILE A 78 7.327 3.343 -11.056 1.00 0.00 H new ATOM 0 HA ILE A 78 5.519 2.542 -13.344 1.00 0.00 H new ATOM 0 HB ILE A 78 6.632 0.712 -11.844 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.231 -0.395 -11.644 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.648 1.080 -12.389 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.443 0.261 -9.712 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.330 1.803 -9.660 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.564 1.799 -9.881 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.085 -0.661 -14.118 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.186 0.720 -14.339 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.778 -0.778 -13.583 1.00 0.00 H new ATOM 1153 N THR A 79 3.546 3.562 -12.143 1.00 0.00 N ATOM 1154 CA THR A 79 2.479 4.476 -11.599 1.00 0.00 C ATOM 1155 C THR A 79 1.333 3.601 -11.089 1.00 0.00 C ATOM 1156 O THR A 79 0.767 2.786 -11.796 1.00 0.00 O ATOM 1157 CB THR A 79 1.997 5.433 -12.713 1.00 0.00 C ATOM 1158 OG1 THR A 79 3.124 6.287 -12.884 1.00 0.00 O ATOM 1159 CG2 THR A 79 0.948 6.431 -12.195 1.00 0.00 C ATOM 0 H THR A 79 3.239 2.945 -12.895 1.00 0.00 H new ATOM 0 HA THR A 79 2.864 5.087 -10.782 1.00 0.00 H new ATOM 0 HB THR A 79 1.616 4.864 -13.561 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.931 6.948 -13.582 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.635 7.085 -13.009 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.084 5.886 -11.815 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.380 7.030 -11.393 1.00 0.00 H new ATOM 1167 N ALA A 80 1.023 3.823 -9.846 1.00 0.00 N ATOM 1168 CA ALA A 80 -0.070 3.043 -9.183 1.00 0.00 C ATOM 1169 C ALA A 80 -1.236 3.956 -8.839 1.00 0.00 C ATOM 1170 O ALA A 80 -1.084 5.157 -8.866 1.00 0.00 O ATOM 1171 CB ALA A 80 0.550 2.410 -7.928 1.00 0.00 C ATOM 0 H ALA A 80 1.479 4.515 -9.251 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.470 2.269 -9.838 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.207 1.827 -7.403 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.374 1.758 -8.218 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.923 3.195 -7.271 1.00 0.00 H new ATOM 1177 N ARG A 81 -2.361 3.397 -8.526 1.00 0.00 N ATOM 1178 CA ARG A 81 -3.502 4.253 -8.181 1.00 0.00 C ATOM 1179 C ARG A 81 -3.534 4.444 -6.671 1.00 0.00 C ATOM 1180 O ARG A 81 -3.033 3.597 -5.966 1.00 0.00 O ATOM 1181 CB ARG A 81 -4.609 3.495 -8.701 1.00 0.00 C ATOM 1182 CG ARG A 81 -5.926 4.317 -8.674 1.00 0.00 C ATOM 1183 CD ARG A 81 -6.860 3.658 -9.698 1.00 0.00 C ATOM 1184 NE ARG A 81 -6.427 2.214 -9.748 1.00 0.00 N ATOM 1185 CZ ARG A 81 -6.962 1.323 -9.028 1.00 0.00 C ATOM 1186 NH1 ARG A 81 -7.547 1.716 -7.966 1.00 0.00 N ATOM 1187 NH2 ARG A 81 -6.841 0.120 -9.428 1.00 0.00 N ATOM 0 H ARG A 81 -2.534 2.392 -8.496 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.489 5.264 -8.587 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.392 3.188 -9.724 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -4.735 2.585 -8.115 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -6.371 4.308 -7.679 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.740 5.360 -8.931 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.903 3.747 -9.395 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -6.770 4.131 -10.676 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.676 1.947 -10.385 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -7.567 2.709 -7.732 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -7.995 1.038 -7.350 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -6.333 -0.083 -10.289 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -7.252 -0.641 -8.887 1.00 0.00 H new ATOM 1201 N ILE A 82 -4.089 5.533 -6.224 1.00 0.00 N ATOM 1202 CA ILE A 82 -4.187 5.810 -4.755 1.00 0.00 C ATOM 1203 C ILE A 82 -5.517 5.210 -4.275 1.00 0.00 C ATOM 1204 O ILE A 82 -6.518 5.829 -4.548 1.00 0.00 O ATOM 1205 CB ILE A 82 -4.162 7.359 -4.504 1.00 0.00 C ATOM 1206 CG1 ILE A 82 -2.779 7.873 -5.000 1.00 0.00 C ATOM 1207 CG2 ILE A 82 -4.331 7.630 -2.963 1.00 0.00 C ATOM 1208 CD1 ILE A 82 -2.575 9.373 -4.714 1.00 0.00 C ATOM 0 H ILE A 82 -4.487 6.259 -6.820 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.350 5.371 -4.213 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.968 7.869 -5.031 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.987 7.302 -4.516 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.691 7.695 -6.072 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.315 8.704 -2.779 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.281 7.218 -2.623 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.514 7.156 -2.419 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.596 9.683 -5.079 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -3.350 9.949 -5.220 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.635 9.550 -3.640 1.00 0.00 H new ATOM 1220 N VAL A 83 -5.574 4.079 -3.620 1.00 0.00 N ATOM 1221 CA VAL A 83 -6.943 3.576 -3.186 1.00 0.00 C ATOM 1222 C VAL A 83 -7.022 3.136 -1.712 1.00 0.00 C ATOM 1223 O VAL A 83 -7.961 3.445 -0.997 1.00 0.00 O ATOM 1224 CB VAL A 83 -7.349 2.394 -4.136 1.00 0.00 C ATOM 1225 CG1 VAL A 83 -6.615 1.072 -3.811 1.00 0.00 C ATOM 1226 CG2 VAL A 83 -8.870 2.161 -4.040 1.00 0.00 C ATOM 0 H VAL A 83 -4.778 3.493 -3.368 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.639 4.411 -3.265 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.058 2.685 -5.145 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.940 0.296 -4.503 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.540 1.219 -3.910 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.847 0.768 -2.790 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -9.155 1.341 -4.699 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.136 1.911 -3.013 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.397 3.067 -4.340 1.00 0.00 H new ATOM 1236 N ASP A 84 -5.995 2.419 -1.334 1.00 0.00 N ATOM 1237 CA ASP A 84 -5.857 1.870 0.048 1.00 0.00 C ATOM 1238 C ASP A 84 -5.019 2.679 1.053 1.00 0.00 C ATOM 1239 O ASP A 84 -4.481 3.750 0.836 1.00 0.00 O ATOM 1240 CB ASP A 84 -5.206 0.470 -0.024 1.00 0.00 C ATOM 1241 CG ASP A 84 -6.197 -0.599 -0.308 1.00 0.00 C ATOM 1242 OD1 ASP A 84 -6.989 -0.752 0.606 1.00 0.00 O ATOM 1243 OD2 ASP A 84 -6.074 -1.154 -1.380 1.00 0.00 O ATOM 0 H ASP A 84 -5.218 2.183 -1.951 1.00 0.00 H new ATOM 0 HA ASP A 84 -6.881 1.884 0.422 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -4.440 0.467 -0.800 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -4.705 0.256 0.920 1.00 0.00 H new ATOM 1248 N GLN A 85 -4.962 2.052 2.187 1.00 0.00 N ATOM 1249 CA GLN A 85 -4.212 2.565 3.365 1.00 0.00 C ATOM 1250 C GLN A 85 -3.322 1.436 3.939 1.00 0.00 C ATOM 1251 O GLN A 85 -3.192 0.370 3.364 1.00 0.00 O ATOM 1252 CB GLN A 85 -5.276 3.070 4.346 1.00 0.00 C ATOM 1253 CG GLN A 85 -5.906 4.356 3.702 1.00 0.00 C ATOM 1254 CD GLN A 85 -6.983 4.995 4.568 1.00 0.00 C ATOM 1255 OE1 GLN A 85 -7.390 6.121 4.356 1.00 0.00 O ATOM 1256 NE2 GLN A 85 -7.489 4.337 5.556 1.00 0.00 N ATOM 0 H GLN A 85 -5.428 1.160 2.355 1.00 0.00 H new ATOM 0 HA GLN A 85 -3.530 3.380 3.125 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -6.038 2.309 4.517 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -4.832 3.300 5.315 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -5.117 5.085 3.517 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -6.334 4.097 2.734 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -7.166 3.390 5.757 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -8.212 4.763 6.136 1.00 0.00 H new ATOM 1265 N CYS A 86 -2.732 1.714 5.064 1.00 0.00 N ATOM 1266 CA CYS A 86 -1.847 0.711 5.733 1.00 0.00 C ATOM 1267 C CYS A 86 -2.718 -0.270 6.575 1.00 0.00 C ATOM 1268 O CYS A 86 -3.703 0.123 7.165 1.00 0.00 O ATOM 1269 CB CYS A 86 -0.860 1.534 6.593 1.00 0.00 C ATOM 1270 SG CYS A 86 -1.570 3.011 7.371 1.00 0.00 S ATOM 0 H CYS A 86 -2.823 2.602 5.558 1.00 0.00 H new ATOM 0 HA CYS A 86 -1.292 0.090 5.030 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -0.456 0.889 7.373 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -0.022 1.839 5.966 1.00 0.00 H new ATOM 1275 N ALA A 87 -2.303 -1.515 6.605 1.00 0.00 N ATOM 1276 CA ALA A 87 -3.004 -2.629 7.357 1.00 0.00 C ATOM 1277 C ALA A 87 -2.444 -4.019 6.966 1.00 0.00 C ATOM 1278 O ALA A 87 -2.338 -4.924 7.771 1.00 0.00 O ATOM 1279 CB ALA A 87 -4.528 -2.621 7.041 1.00 0.00 C ATOM 0 H ALA A 87 -1.464 -1.827 6.116 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.831 -2.453 8.419 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.017 -3.427 7.588 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.957 -1.665 7.342 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -4.679 -2.766 5.971 1.00 0.00 H new ATOM 1285 N ASN A 88 -2.110 -4.132 5.712 1.00 0.00 N ATOM 1286 CA ASN A 88 -1.553 -5.408 5.161 1.00 0.00 C ATOM 1287 C ASN A 88 0.011 -5.438 5.064 1.00 0.00 C ATOM 1288 O ASN A 88 0.645 -5.801 6.037 1.00 0.00 O ATOM 1289 CB ASN A 88 -2.304 -5.551 3.797 1.00 0.00 C ATOM 1290 CG ASN A 88 -1.998 -4.374 2.870 1.00 0.00 C ATOM 1291 OD1 ASN A 88 -1.698 -3.276 3.279 1.00 0.00 O ATOM 1292 ND2 ASN A 88 -2.043 -4.539 1.594 1.00 0.00 N ATOM 0 H ASN A 88 -2.200 -3.381 5.028 1.00 0.00 H new ATOM 0 HA ASN A 88 -1.721 -6.264 5.815 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -2.011 -6.483 3.314 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -3.378 -5.608 3.975 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -1.830 -3.760 0.971 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -2.292 -5.449 1.206 1.00 0.00 H new ATOM 1299 N GLY A 89 0.590 -5.070 3.939 1.00 0.00 N ATOM 1300 CA GLY A 89 2.095 -5.071 3.769 1.00 0.00 C ATOM 1301 C GLY A 89 2.664 -3.642 3.692 1.00 0.00 C ATOM 1302 O GLY A 89 2.628 -2.971 4.702 1.00 0.00 O ATOM 0 H GLY A 89 0.077 -4.762 3.113 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.554 -5.600 4.604 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.358 -5.616 2.862 1.00 0.00 H new ATOM 1306 N GLY A 90 3.177 -3.174 2.569 1.00 0.00 N ATOM 1307 CA GLY A 90 3.725 -1.756 2.551 1.00 0.00 C ATOM 1308 C GLY A 90 3.259 -0.812 1.435 1.00 0.00 C ATOM 1309 O GLY A 90 2.176 -0.269 1.475 1.00 0.00 O ATOM 0 H GLY A 90 3.242 -3.687 1.690 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.477 -1.291 3.505 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.812 -1.820 2.501 1.00 0.00 H new ATOM 1313 N LEU A 91 4.082 -0.627 0.443 1.00 0.00 N ATOM 1314 CA LEU A 91 3.743 0.275 -0.703 1.00 0.00 C ATOM 1315 C LEU A 91 3.113 -0.552 -1.844 1.00 0.00 C ATOM 1316 O LEU A 91 3.502 -0.510 -3.001 1.00 0.00 O ATOM 1317 CB LEU A 91 5.054 0.923 -1.109 1.00 0.00 C ATOM 1318 CG LEU A 91 4.832 1.971 -2.193 1.00 0.00 C ATOM 1319 CD1 LEU A 91 4.456 3.297 -1.521 1.00 0.00 C ATOM 1320 CD2 LEU A 91 6.131 2.091 -2.971 1.00 0.00 C ATOM 0 H LEU A 91 4.997 -1.071 0.373 1.00 0.00 H new ATOM 0 HA LEU A 91 3.010 1.039 -0.444 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.519 1.387 -0.239 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.744 0.161 -1.471 1.00 0.00 H new ATOM 0 HG LEU A 91 4.025 1.698 -2.873 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.294 4.058 -2.284 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.543 3.165 -0.940 1.00 0.00 H new ATOM 0 HD13 LEU A 91 5.264 3.612 -0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.015 2.834 -3.760 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.931 2.398 -2.298 1.00 0.00 H new ATOM 0 HD23 LEU A 91 6.380 1.127 -3.414 1.00 0.00 H new ATOM 1332 N ASP A 92 2.114 -1.282 -1.442 1.00 0.00 N ATOM 1333 CA ASP A 92 1.367 -2.159 -2.380 1.00 0.00 C ATOM 1334 C ASP A 92 0.216 -2.868 -1.670 1.00 0.00 C ATOM 1335 O ASP A 92 -0.078 -2.649 -0.507 1.00 0.00 O ATOM 1336 CB ASP A 92 2.355 -3.188 -2.944 1.00 0.00 C ATOM 1337 CG ASP A 92 3.194 -3.856 -1.848 1.00 0.00 C ATOM 1338 OD1 ASP A 92 2.679 -4.193 -0.787 1.00 0.00 O ATOM 1339 OD2 ASP A 92 4.344 -3.982 -2.217 1.00 0.00 O ATOM 0 H ASP A 92 1.777 -1.308 -0.480 1.00 0.00 H new ATOM 0 HA ASP A 92 0.935 -1.560 -3.181 1.00 0.00 H new ATOM 0 HB2 ASP A 92 1.805 -3.952 -3.493 1.00 0.00 H new ATOM 0 HB3 ASP A 92 3.018 -2.698 -3.657 1.00 0.00 H new ATOM 1344 N LEU A 93 -0.389 -3.686 -2.488 1.00 0.00 N ATOM 1345 CA LEU A 93 -1.527 -4.534 -2.077 1.00 0.00 C ATOM 1346 C LEU A 93 -0.975 -5.962 -2.107 1.00 0.00 C ATOM 1347 O LEU A 93 -0.415 -6.363 -1.112 1.00 0.00 O ATOM 1348 CB LEU A 93 -2.678 -4.307 -3.082 1.00 0.00 C ATOM 1349 CG LEU A 93 -3.719 -3.420 -2.412 1.00 0.00 C ATOM 1350 CD1 LEU A 93 -3.060 -2.091 -2.076 1.00 0.00 C ATOM 1351 CD2 LEU A 93 -4.823 -3.176 -3.438 1.00 0.00 C ATOM 0 H LEU A 93 -0.122 -3.800 -3.466 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.929 -4.313 -1.088 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.303 -3.835 -3.990 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.121 -5.259 -3.376 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.119 -3.878 -1.507 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.786 -1.436 -1.594 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.221 -2.261 -1.401 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.700 -1.622 -2.992 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.594 -2.542 -2.999 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.403 -2.682 -4.314 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.262 -4.129 -3.734 1.00 0.00 H new ATOM 1363 N ASP A 94 -1.097 -6.727 -3.155 1.00 0.00 N ATOM 1364 CA ASP A 94 -0.536 -8.087 -3.103 1.00 0.00 C ATOM 1365 C ASP A 94 0.922 -8.220 -3.564 1.00 0.00 C ATOM 1366 O ASP A 94 1.865 -8.069 -2.810 1.00 0.00 O ATOM 1367 CB ASP A 94 -1.549 -8.931 -3.926 1.00 0.00 C ATOM 1368 CG ASP A 94 -1.848 -8.375 -5.301 1.00 0.00 C ATOM 1369 OD1 ASP A 94 -2.626 -7.446 -5.290 1.00 0.00 O ATOM 1370 OD2 ASP A 94 -1.290 -8.884 -6.253 1.00 0.00 O ATOM 0 H ASP A 94 -1.555 -6.467 -4.029 1.00 0.00 H new ATOM 0 HA ASP A 94 -0.437 -8.436 -2.075 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -1.159 -9.943 -4.033 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -2.481 -9.006 -3.366 1.00 0.00 H new ATOM 1375 N TRP A 95 1.054 -8.496 -4.826 1.00 0.00 N ATOM 1376 CA TRP A 95 2.395 -8.677 -5.421 1.00 0.00 C ATOM 1377 C TRP A 95 2.606 -8.280 -6.865 1.00 0.00 C ATOM 1378 O TRP A 95 3.536 -7.573 -7.185 1.00 0.00 O ATOM 1379 CB TRP A 95 2.657 -10.099 -5.232 1.00 0.00 C ATOM 1380 CG TRP A 95 4.033 -10.513 -5.751 1.00 0.00 C ATOM 1381 CD1 TRP A 95 5.227 -9.944 -5.413 1.00 0.00 C ATOM 1382 CD2 TRP A 95 4.241 -11.514 -6.618 1.00 0.00 C ATOM 1383 NE1 TRP A 95 6.091 -10.660 -6.118 1.00 0.00 N ATOM 1384 CE2 TRP A 95 5.586 -11.625 -6.868 1.00 0.00 C ATOM 1385 CE3 TRP A 95 3.341 -12.364 -7.231 1.00 0.00 C ATOM 1386 CZ2 TRP A 95 6.047 -12.584 -7.729 1.00 0.00 C ATOM 1387 CZ3 TRP A 95 3.800 -13.329 -8.097 1.00 0.00 C ATOM 1388 CH2 TRP A 95 5.154 -13.437 -8.344 1.00 0.00 C ATOM 0 H TRP A 95 0.277 -8.605 -5.478 1.00 0.00 H new ATOM 0 HA TRP A 95 3.081 -7.988 -4.928 1.00 0.00 H new ATOM 0 HB2 TRP A 95 2.584 -10.341 -4.172 1.00 0.00 H new ATOM 0 HB3 TRP A 95 1.889 -10.678 -5.745 1.00 0.00 H new ATOM 0 HD1 TRP A 95 5.419 -9.120 -4.742 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.094 -10.476 -6.084 1.00 0.00 H new ATOM 0 HE3 TRP A 95 2.284 -12.271 -7.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 7.105 -12.673 -7.926 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.105 -13.999 -8.581 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.517 -14.194 -9.023 1.00 0.00 H new ATOM 1399 N ASP A 96 1.727 -8.722 -7.721 1.00 0.00 N ATOM 1400 CA ASP A 96 1.900 -8.384 -9.167 1.00 0.00 C ATOM 1401 C ASP A 96 1.399 -6.982 -9.519 1.00 0.00 C ATOM 1402 O ASP A 96 1.172 -6.615 -10.657 1.00 0.00 O ATOM 1403 CB ASP A 96 1.171 -9.524 -9.936 1.00 0.00 C ATOM 1404 CG ASP A 96 -0.321 -9.635 -9.599 1.00 0.00 C ATOM 1405 OD1 ASP A 96 -1.031 -8.661 -9.825 1.00 0.00 O ATOM 1406 OD2 ASP A 96 -0.658 -10.714 -9.139 1.00 0.00 O ATOM 0 H ASP A 96 0.912 -9.291 -7.492 1.00 0.00 H new ATOM 0 HA ASP A 96 2.952 -8.335 -9.448 1.00 0.00 H new ATOM 0 HB2 ASP A 96 1.282 -9.357 -11.007 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.658 -10.473 -9.710 1.00 0.00 H new ATOM 1411 N THR A 97 1.281 -6.192 -8.497 1.00 0.00 N ATOM 1412 CA THR A 97 0.797 -4.784 -8.640 1.00 0.00 C ATOM 1413 C THR A 97 1.920 -3.772 -8.881 1.00 0.00 C ATOM 1414 O THR A 97 2.173 -3.438 -10.021 1.00 0.00 O ATOM 1415 CB THR A 97 -0.007 -4.475 -7.336 1.00 0.00 C ATOM 1416 OG1 THR A 97 0.947 -4.580 -6.284 1.00 0.00 O ATOM 1417 CG2 THR A 97 -0.968 -5.650 -7.019 1.00 0.00 C ATOM 0 H THR A 97 1.504 -6.464 -7.540 1.00 0.00 H new ATOM 0 HA THR A 97 0.173 -4.689 -9.529 1.00 0.00 H new ATOM 0 HB THR A 97 -0.529 -3.523 -7.437 1.00 0.00 H new ATOM 0 HG1 THR A 97 0.510 -4.395 -5.426 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.526 -5.429 -6.109 1.00 0.00 H new ATOM 0 HG22 THR A 97 -1.664 -5.785 -7.847 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.391 -6.564 -6.878 1.00 0.00 H new ATOM 1425 N VAL A 98 2.580 -3.309 -7.859 1.00 0.00 N ATOM 1426 CA VAL A 98 3.692 -2.311 -8.003 1.00 0.00 C ATOM 1427 C VAL A 98 5.073 -2.965 -8.178 1.00 0.00 C ATOM 1428 O VAL A 98 5.630 -3.001 -9.257 1.00 0.00 O ATOM 1429 CB VAL A 98 3.612 -1.410 -6.724 1.00 0.00 C ATOM 1430 CG1 VAL A 98 4.709 -0.332 -6.672 1.00 0.00 C ATOM 1431 CG2 VAL A 98 2.301 -0.645 -6.751 1.00 0.00 C ATOM 0 H VAL A 98 2.393 -3.586 -6.895 1.00 0.00 H new ATOM 0 HA VAL A 98 3.571 -1.724 -8.913 1.00 0.00 H new ATOM 0 HB VAL A 98 3.718 -2.080 -5.871 1.00 0.00 H new ATOM 0 HG11 VAL A 98 4.597 0.257 -5.762 1.00 0.00 H new ATOM 0 HG12 VAL A 98 5.689 -0.809 -6.677 1.00 0.00 H new ATOM 0 HG13 VAL A 98 4.619 0.321 -7.540 1.00 0.00 H new ATOM 0 HG21 VAL A 98 2.230 -0.013 -5.866 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.261 -0.023 -7.645 1.00 0.00 H new ATOM 0 HG23 VAL A 98 1.469 -1.349 -6.761 1.00 0.00 H new ATOM 1441 N PHE A 99 5.531 -3.449 -7.055 1.00 0.00 N ATOM 1442 CA PHE A 99 6.852 -4.146 -6.855 1.00 0.00 C ATOM 1443 C PHE A 99 7.468 -4.892 -8.061 1.00 0.00 C ATOM 1444 O PHE A 99 8.151 -4.268 -8.840 1.00 0.00 O ATOM 1445 CB PHE A 99 6.675 -5.120 -5.608 1.00 0.00 C ATOM 1446 CG PHE A 99 8.082 -5.355 -5.017 1.00 0.00 C ATOM 1447 CD1 PHE A 99 8.702 -4.289 -4.396 1.00 0.00 C ATOM 1448 CD2 PHE A 99 8.755 -6.564 -5.112 1.00 0.00 C ATOM 1449 CE1 PHE A 99 9.973 -4.411 -3.877 1.00 0.00 C ATOM 1450 CE2 PHE A 99 10.034 -6.689 -4.590 1.00 0.00 C ATOM 1451 CZ PHE A 99 10.640 -5.612 -3.977 1.00 0.00 C ATOM 0 H PHE A 99 4.996 -3.384 -6.189 1.00 0.00 H new ATOM 0 HA PHE A 99 7.587 -3.358 -6.693 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.013 -4.678 -4.864 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.223 -6.063 -5.916 1.00 0.00 H new ATOM 0 HD1 PHE A 99 8.183 -3.345 -4.316 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.283 -7.408 -5.593 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.444 -3.568 -3.394 1.00 0.00 H new ATOM 0 HE2 PHE A 99 10.556 -7.631 -4.664 1.00 0.00 H new ATOM 0 HZ PHE A 99 11.638 -5.711 -3.575 1.00 0.00 H new ATOM 1461 N THR A 100 7.246 -6.170 -8.225 1.00 0.00 N ATOM 1462 CA THR A 100 7.832 -6.950 -9.393 1.00 0.00 C ATOM 1463 C THR A 100 8.066 -6.131 -10.671 1.00 0.00 C ATOM 1464 O THR A 100 9.062 -6.275 -11.345 1.00 0.00 O ATOM 1465 CB THR A 100 6.921 -8.150 -9.805 1.00 0.00 C ATOM 1466 OG1 THR A 100 6.142 -7.686 -10.896 1.00 0.00 O ATOM 1467 CG2 THR A 100 5.779 -8.373 -8.845 1.00 0.00 C ATOM 0 H THR A 100 6.674 -6.730 -7.594 1.00 0.00 H new ATOM 0 HA THR A 100 8.796 -7.278 -9.005 1.00 0.00 H new ATOM 0 HB THR A 100 7.578 -9.011 -9.924 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.547 -8.402 -11.201 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.180 -9.219 -9.182 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.175 -8.582 -7.851 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.156 -7.480 -8.807 1.00 0.00 H new ATOM 1475 N LYS A 101 7.118 -5.268 -10.968 1.00 0.00 N ATOM 1476 CA LYS A 101 7.194 -4.422 -12.177 1.00 0.00 C ATOM 1477 C LYS A 101 8.562 -3.714 -12.266 1.00 0.00 C ATOM 1478 O LYS A 101 9.212 -3.744 -13.290 1.00 0.00 O ATOM 1479 CB LYS A 101 6.086 -3.349 -12.145 1.00 0.00 C ATOM 1480 CG LYS A 101 4.625 -3.838 -11.997 1.00 0.00 C ATOM 1481 CD LYS A 101 4.193 -4.739 -13.174 1.00 0.00 C ATOM 1482 CE LYS A 101 2.656 -4.685 -13.413 1.00 0.00 C ATOM 1483 NZ LYS A 101 1.897 -4.629 -12.131 1.00 0.00 N ATOM 0 H LYS A 101 6.282 -5.122 -10.402 1.00 0.00 H new ATOM 0 HA LYS A 101 7.064 -5.068 -13.045 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.299 -2.669 -11.320 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.155 -2.766 -13.064 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.520 -4.388 -11.062 1.00 0.00 H new ATOM 0 HG3 LYS A 101 3.959 -2.977 -11.936 1.00 0.00 H new ATOM 0 HD2 LYS A 101 4.712 -4.427 -14.080 1.00 0.00 H new ATOM 0 HD3 LYS A 101 4.493 -5.767 -12.973 1.00 0.00 H new ATOM 0 HE2 LYS A 101 2.413 -3.811 -14.018 1.00 0.00 H new ATOM 0 HE3 LYS A 101 2.346 -5.562 -13.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 0.888 -4.475 -12.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 2.015 -5.526 -11.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.258 -3.847 -11.548 1.00 0.00 H new ATOM 1497 N ILE A 102 8.896 -3.107 -11.152 1.00 0.00 N ATOM 1498 CA ILE A 102 10.177 -2.346 -11.007 1.00 0.00 C ATOM 1499 C ILE A 102 11.348 -3.204 -10.507 1.00 0.00 C ATOM 1500 O ILE A 102 12.424 -2.657 -10.329 1.00 0.00 O ATOM 1501 CB ILE A 102 9.953 -1.123 -10.033 1.00 0.00 C ATOM 1502 CG1 ILE A 102 9.545 -1.609 -8.609 1.00 0.00 C ATOM 1503 CG2 ILE A 102 8.870 -0.188 -10.623 1.00 0.00 C ATOM 1504 CD1 ILE A 102 9.273 -0.439 -7.645 1.00 0.00 C ATOM 0 H ILE A 102 8.316 -3.108 -10.313 1.00 0.00 H new ATOM 0 HA ILE A 102 10.454 -2.001 -12.003 1.00 0.00 H new ATOM 0 HB ILE A 102 10.889 -0.573 -9.937 1.00 0.00 H new ATOM 0 HG12 ILE A 102 8.653 -2.231 -8.682 1.00 0.00 H new ATOM 0 HG13 ILE A 102 10.338 -2.236 -8.201 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.714 0.657 -9.952 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.196 0.177 -11.597 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.936 -0.739 -10.736 1.00 0.00 H new ATOM 0 HD11 ILE A 102 8.993 -0.831 -6.667 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.172 0.169 -7.548 1.00 0.00 H new ATOM 0 HD13 ILE A 102 8.461 0.174 -8.037 1.00 0.00 H new ATOM 1516 N ASP A 103 11.104 -4.476 -10.305 1.00 0.00 N ATOM 1517 CA ASP A 103 12.178 -5.393 -9.824 1.00 0.00 C ATOM 1518 C ASP A 103 12.605 -6.358 -10.930 1.00 0.00 C ATOM 1519 O ASP A 103 11.944 -7.295 -11.333 1.00 0.00 O ATOM 1520 CB ASP A 103 11.680 -6.185 -8.623 1.00 0.00 C ATOM 1521 CG ASP A 103 11.490 -5.193 -7.504 1.00 0.00 C ATOM 1522 OD1 ASP A 103 12.514 -4.747 -6.992 1.00 0.00 O ATOM 1523 OD2 ASP A 103 10.329 -4.951 -7.250 1.00 0.00 O ATOM 0 H ASP A 103 10.198 -4.920 -10.455 1.00 0.00 H new ATOM 0 HA ASP A 103 13.039 -4.791 -9.536 1.00 0.00 H new ATOM 0 HB2 ASP A 103 10.744 -6.693 -8.854 1.00 0.00 H new ATOM 0 HB3 ASP A 103 12.398 -6.955 -8.341 1.00 0.00 H new ATOM 1528 N THR A 104 13.774 -6.047 -11.384 1.00 0.00 N ATOM 1529 CA THR A 104 14.430 -6.817 -12.470 1.00 0.00 C ATOM 1530 C THR A 104 14.875 -8.201 -11.995 1.00 0.00 C ATOM 1531 O THR A 104 14.408 -9.225 -12.442 1.00 0.00 O ATOM 1532 CB THR A 104 15.620 -5.958 -12.937 1.00 0.00 C ATOM 1533 OG1 THR A 104 16.301 -5.623 -11.723 1.00 0.00 O ATOM 1534 CG2 THR A 104 15.169 -4.586 -13.403 1.00 0.00 C ATOM 0 H THR A 104 14.325 -5.262 -11.037 1.00 0.00 H new ATOM 0 HA THR A 104 13.739 -7.008 -13.291 1.00 0.00 H new ATOM 0 HB THR A 104 16.167 -6.492 -13.714 1.00 0.00 H new ATOM 0 HG1 THR A 104 17.084 -5.071 -11.929 1.00 0.00 H new ATOM 0 HG21 THR A 104 16.035 -4.008 -13.725 1.00 0.00 H new ATOM 0 HG22 THR A 104 14.475 -4.695 -14.237 1.00 0.00 H new ATOM 0 HG23 THR A 104 14.672 -4.068 -12.583 1.00 0.00 H new ATOM 1542 N ASN A 105 15.785 -8.167 -11.073 1.00 0.00 N ATOM 1543 CA ASN A 105 16.363 -9.430 -10.476 1.00 0.00 C ATOM 1544 C ASN A 105 15.711 -9.992 -9.184 1.00 0.00 C ATOM 1545 O ASN A 105 15.058 -11.013 -9.239 1.00 0.00 O ATOM 1546 CB ASN A 105 17.867 -9.123 -10.266 1.00 0.00 C ATOM 1547 CG ASN A 105 18.080 -7.813 -9.502 1.00 0.00 C ATOM 1548 OD1 ASN A 105 19.179 -7.387 -9.258 1.00 0.00 O ATOM 1549 ND2 ASN A 105 17.105 -7.078 -9.071 1.00 0.00 N ATOM 0 H ASN A 105 16.172 -7.305 -10.688 1.00 0.00 H new ATOM 0 HA ASN A 105 16.159 -10.245 -11.171 1.00 0.00 H new ATOM 0 HB2 ASN A 105 18.332 -9.943 -9.718 1.00 0.00 H new ATOM 0 HB3 ASN A 105 18.364 -9.064 -11.234 1.00 0.00 H new ATOM 0 HD21 ASN A 105 17.302 -6.213 -8.568 1.00 0.00 H new ATOM 0 HD22 ASN A 105 16.140 -7.364 -9.234 1.00 0.00 H new ATOM 1556 N GLY A 106 15.886 -9.345 -8.064 1.00 0.00 N ATOM 1557 CA GLY A 106 15.271 -9.849 -6.781 1.00 0.00 C ATOM 1558 C GLY A 106 16.175 -9.784 -5.559 1.00 0.00 C ATOM 1559 O GLY A 106 16.304 -10.729 -4.809 1.00 0.00 O ATOM 0 H GLY A 106 16.428 -8.486 -7.972 1.00 0.00 H new ATOM 0 HA2 GLY A 106 14.370 -9.271 -6.577 1.00 0.00 H new ATOM 0 HA3 GLY A 106 14.960 -10.883 -6.928 1.00 0.00 H new ATOM 1563 N ILE A 107 16.764 -8.629 -5.400 1.00 0.00 N ATOM 1564 CA ILE A 107 17.679 -8.384 -4.252 1.00 0.00 C ATOM 1565 C ILE A 107 16.694 -8.131 -3.087 1.00 0.00 C ATOM 1566 O ILE A 107 16.684 -8.800 -2.069 1.00 0.00 O ATOM 1567 CB ILE A 107 18.580 -7.137 -4.619 1.00 0.00 C ATOM 1568 CG1 ILE A 107 19.281 -7.323 -6.001 1.00 0.00 C ATOM 1569 CG2 ILE A 107 19.669 -6.880 -3.554 1.00 0.00 C ATOM 1570 CD1 ILE A 107 20.192 -8.571 -6.055 1.00 0.00 C ATOM 0 H ILE A 107 16.647 -7.834 -6.028 1.00 0.00 H new ATOM 0 HA ILE A 107 18.373 -9.185 -3.998 1.00 0.00 H new ATOM 0 HB ILE A 107 17.906 -6.282 -4.661 1.00 0.00 H new ATOM 0 HG12 ILE A 107 18.522 -7.401 -6.779 1.00 0.00 H new ATOM 0 HG13 ILE A 107 19.875 -6.437 -6.223 1.00 0.00 H new ATOM 0 HG21 ILE A 107 20.265 -6.015 -3.845 1.00 0.00 H new ATOM 0 HG22 ILE A 107 19.197 -6.688 -2.590 1.00 0.00 H new ATOM 0 HG23 ILE A 107 20.314 -7.755 -3.475 1.00 0.00 H new ATOM 0 HD11 ILE A 107 20.650 -8.645 -7.041 1.00 0.00 H new ATOM 0 HD12 ILE A 107 20.972 -8.485 -5.298 1.00 0.00 H new ATOM 0 HD13 ILE A 107 19.597 -9.464 -5.864 1.00 0.00 H new ATOM 1582 N GLY A 108 15.856 -7.145 -3.285 1.00 0.00 N ATOM 1583 CA GLY A 108 14.827 -6.777 -2.258 1.00 0.00 C ATOM 1584 C GLY A 108 14.085 -8.036 -1.779 1.00 0.00 C ATOM 1585 O GLY A 108 13.890 -8.195 -0.599 1.00 0.00 O ATOM 0 H GLY A 108 15.839 -6.569 -4.127 1.00 0.00 H new ATOM 0 HA2 GLY A 108 15.306 -6.284 -1.412 1.00 0.00 H new ATOM 0 HA3 GLY A 108 14.117 -6.066 -2.681 1.00 0.00 H new ATOM 1589 N TYR A 109 13.701 -8.873 -2.714 1.00 0.00 N ATOM 1590 CA TYR A 109 12.966 -10.150 -2.445 1.00 0.00 C ATOM 1591 C TYR A 109 13.452 -10.826 -1.129 1.00 0.00 C ATOM 1592 O TYR A 109 12.636 -11.158 -0.288 1.00 0.00 O ATOM 1593 CB TYR A 109 13.185 -11.054 -3.697 1.00 0.00 C ATOM 1594 CG TYR A 109 12.200 -12.246 -3.676 1.00 0.00 C ATOM 1595 CD1 TYR A 109 10.884 -12.047 -4.049 1.00 0.00 C ATOM 1596 CD2 TYR A 109 12.580 -13.512 -3.276 1.00 0.00 C ATOM 1597 CE1 TYR A 109 9.973 -13.085 -4.020 1.00 0.00 C ATOM 1598 CE2 TYR A 109 11.662 -14.552 -3.248 1.00 0.00 C ATOM 1599 CZ TYR A 109 10.347 -14.340 -3.621 1.00 0.00 C ATOM 1600 OH TYR A 109 9.389 -15.336 -3.596 1.00 0.00 O ATOM 0 H TYR A 109 13.878 -8.711 -3.705 1.00 0.00 H new ATOM 0 HA TYR A 109 11.902 -9.968 -2.290 1.00 0.00 H new ATOM 0 HB2 TYR A 109 13.040 -10.470 -4.606 1.00 0.00 H new ATOM 0 HB3 TYR A 109 14.211 -11.421 -3.714 1.00 0.00 H new ATOM 0 HD1 TYR A 109 10.563 -11.066 -4.368 1.00 0.00 H new ATOM 0 HD2 TYR A 109 13.603 -13.695 -2.982 1.00 0.00 H new ATOM 0 HE1 TYR A 109 8.950 -12.904 -4.317 1.00 0.00 H new ATOM 0 HE2 TYR A 109 11.977 -15.536 -2.932 1.00 0.00 H new ATOM 0 HH TYR A 109 8.502 -14.940 -3.729 1.00 0.00 H new ATOM 1610 N GLN A 110 14.763 -10.969 -1.048 1.00 0.00 N ATOM 1611 CA GLN A 110 15.495 -11.591 0.120 1.00 0.00 C ATOM 1612 C GLN A 110 15.329 -10.797 1.427 1.00 0.00 C ATOM 1613 O GLN A 110 15.087 -11.344 2.483 1.00 0.00 O ATOM 1614 CB GLN A 110 17.006 -11.668 -0.201 1.00 0.00 C ATOM 1615 CG GLN A 110 17.331 -12.756 -1.252 1.00 0.00 C ATOM 1616 CD GLN A 110 18.844 -12.782 -1.485 1.00 0.00 C ATOM 1617 OE1 GLN A 110 19.431 -11.919 -2.099 1.00 0.00 O ATOM 1618 NE2 GLN A 110 19.553 -13.750 -1.012 1.00 0.00 N ATOM 0 H GLN A 110 15.391 -10.660 -1.790 1.00 0.00 H new ATOM 0 HA GLN A 110 15.061 -12.580 0.267 1.00 0.00 H new ATOM 0 HB2 GLN A 110 17.347 -10.700 -0.567 1.00 0.00 H new ATOM 0 HB3 GLN A 110 17.559 -11.875 0.715 1.00 0.00 H new ATOM 0 HG2 GLN A 110 16.986 -13.730 -0.906 1.00 0.00 H new ATOM 0 HG3 GLN A 110 16.809 -12.546 -2.186 1.00 0.00 H new ATOM 0 HE21 GLN A 110 19.105 -14.501 -0.487 1.00 0.00 H new ATOM 0 HE22 GLN A 110 20.562 -13.764 -1.163 1.00 0.00 H new ATOM 1627 N GLN A 111 15.492 -9.514 1.258 1.00 0.00 N ATOM 1628 CA GLN A 111 15.378 -8.516 2.385 1.00 0.00 C ATOM 1629 C GLN A 111 13.870 -8.303 2.696 1.00 0.00 C ATOM 1630 O GLN A 111 13.463 -7.824 3.736 1.00 0.00 O ATOM 1631 CB GLN A 111 16.084 -7.196 1.892 1.00 0.00 C ATOM 1632 CG GLN A 111 17.248 -6.758 2.848 1.00 0.00 C ATOM 1633 CD GLN A 111 16.752 -6.208 4.186 1.00 0.00 C ATOM 1634 OE1 GLN A 111 15.936 -6.768 4.879 1.00 0.00 O ATOM 1635 NE2 GLN A 111 17.218 -5.087 4.632 1.00 0.00 N ATOM 0 H GLN A 111 15.708 -9.092 0.355 1.00 0.00 H new ATOM 0 HA GLN A 111 15.856 -8.852 3.305 1.00 0.00 H new ATOM 0 HB2 GLN A 111 16.479 -7.350 0.888 1.00 0.00 H new ATOM 0 HB3 GLN A 111 15.348 -6.395 1.826 1.00 0.00 H new ATOM 0 HG2 GLN A 111 17.899 -7.612 3.032 1.00 0.00 H new ATOM 0 HG3 GLN A 111 17.852 -5.998 2.351 1.00 0.00 H new ATOM 0 HE21 GLN A 111 17.910 -4.570 4.089 1.00 0.00 H new ATOM 0 HE22 GLN A 111 16.894 -4.720 5.527 1.00 0.00 H new ATOM 1644 N GLY A 112 13.076 -8.676 1.727 1.00 0.00 N ATOM 1645 CA GLY A 112 11.589 -8.560 1.800 1.00 0.00 C ATOM 1646 C GLY A 112 11.219 -7.080 1.791 1.00 0.00 C ATOM 1647 O GLY A 112 10.102 -6.720 2.099 1.00 0.00 O ATOM 0 H GLY A 112 13.414 -9.073 0.850 1.00 0.00 H new ATOM 0 HA2 GLY A 112 11.127 -9.071 0.955 1.00 0.00 H new ATOM 0 HA3 GLY A 112 11.216 -9.039 2.705 1.00 0.00 H new ATOM 1651 N HIS A 113 12.171 -6.258 1.434 1.00 0.00 N ATOM 1652 CA HIS A 113 11.955 -4.773 1.385 1.00 0.00 C ATOM 1653 C HIS A 113 12.995 -4.057 0.499 1.00 0.00 C ATOM 1654 O HIS A 113 14.171 -4.364 0.543 1.00 0.00 O ATOM 1655 CB HIS A 113 12.007 -4.252 2.863 1.00 0.00 C ATOM 1656 CG HIS A 113 13.125 -3.225 3.080 1.00 0.00 C ATOM 1657 ND1 HIS A 113 13.254 -2.101 2.449 1.00 0.00 N ATOM 1658 CD2 HIS A 113 14.202 -3.250 3.947 1.00 0.00 C ATOM 1659 CE1 HIS A 113 14.309 -1.476 2.880 1.00 0.00 C ATOM 1660 NE2 HIS A 113 14.927 -2.157 3.810 1.00 0.00 N ATOM 0 H HIS A 113 13.110 -6.556 1.168 1.00 0.00 H new ATOM 0 HA HIS A 113 10.989 -4.554 0.930 1.00 0.00 H new ATOM 0 HB2 HIS A 113 11.048 -3.802 3.121 1.00 0.00 H new ATOM 0 HB3 HIS A 113 12.155 -5.095 3.538 1.00 0.00 H new ATOM 0 HD1 HIS A 113 12.623 -1.758 1.724 1.00 0.00 H new ATOM 0 HD2 HIS A 113 14.419 -4.051 4.638 1.00 0.00 H new ATOM 0 HE1 HIS A 113 14.635 -0.513 2.515 1.00 0.00 H new ATOM 1668 N LEU A 114 12.556 -3.131 -0.297 1.00 0.00 N ATOM 1669 CA LEU A 114 13.514 -2.383 -1.173 1.00 0.00 C ATOM 1670 C LEU A 114 13.427 -0.892 -0.817 1.00 0.00 C ATOM 1671 O LEU A 114 12.541 -0.506 -0.068 1.00 0.00 O ATOM 1672 CB LEU A 114 13.121 -2.649 -2.649 1.00 0.00 C ATOM 1673 CG LEU A 114 14.131 -2.037 -3.649 1.00 0.00 C ATOM 1674 CD1 LEU A 114 15.561 -2.594 -3.403 1.00 0.00 C ATOM 1675 CD2 LEU A 114 13.699 -2.468 -5.043 1.00 0.00 C ATOM 0 H LEU A 114 11.578 -2.854 -0.385 1.00 0.00 H new ATOM 0 HA LEU A 114 14.544 -2.709 -1.026 1.00 0.00 H new ATOM 0 HB2 LEU A 114 13.055 -3.724 -2.816 1.00 0.00 H new ATOM 0 HB3 LEU A 114 12.131 -2.235 -2.838 1.00 0.00 H new ATOM 0 HG LEU A 114 14.148 -0.953 -3.532 1.00 0.00 H new ATOM 0 HD11 LEU A 114 16.253 -2.149 -4.118 1.00 0.00 H new ATOM 0 HD12 LEU A 114 15.878 -2.347 -2.390 1.00 0.00 H new ATOM 0 HD13 LEU A 114 15.556 -3.677 -3.528 1.00 0.00 H new ATOM 0 HD21 LEU A 114 14.387 -2.056 -5.781 1.00 0.00 H new ATOM 0 HD22 LEU A 114 13.708 -3.556 -5.106 1.00 0.00 H new ATOM 0 HD23 LEU A 114 12.692 -2.101 -5.242 1.00 0.00 H new ATOM 1687 N ASN A 115 14.331 -0.113 -1.355 1.00 0.00 N ATOM 1688 CA ASN A 115 14.343 1.357 -1.085 1.00 0.00 C ATOM 1689 C ASN A 115 13.947 2.056 -2.401 1.00 0.00 C ATOM 1690 O ASN A 115 14.569 1.899 -3.436 1.00 0.00 O ATOM 1691 CB ASN A 115 15.755 1.784 -0.665 1.00 0.00 C ATOM 1692 CG ASN A 115 15.777 3.297 -0.478 1.00 0.00 C ATOM 1693 OD1 ASN A 115 15.159 3.819 0.420 1.00 0.00 O ATOM 1694 ND2 ASN A 115 16.455 4.050 -1.290 1.00 0.00 N ATOM 0 H ASN A 115 15.071 -0.437 -1.978 1.00 0.00 H new ATOM 0 HA ASN A 115 13.653 1.622 -0.284 1.00 0.00 H new ATOM 0 HB2 ASN A 115 16.040 1.285 0.261 1.00 0.00 H new ATOM 0 HB3 ASN A 115 16.480 1.487 -1.423 1.00 0.00 H new ATOM 0 HD21 ASN A 115 16.459 5.062 -1.163 1.00 0.00 H new ATOM 0 HD22 ASN A 115 16.983 3.629 -2.054 1.00 0.00 H new ATOM 1701 N VAL A 116 12.897 2.815 -2.291 1.00 0.00 N ATOM 1702 CA VAL A 116 12.354 3.576 -3.458 1.00 0.00 C ATOM 1703 C VAL A 116 11.961 5.025 -3.109 1.00 0.00 C ATOM 1704 O VAL A 116 11.962 5.410 -1.951 1.00 0.00 O ATOM 1705 CB VAL A 116 11.119 2.804 -3.991 1.00 0.00 C ATOM 1706 CG1 VAL A 116 11.506 1.338 -4.313 1.00 0.00 C ATOM 1707 CG2 VAL A 116 10.028 2.775 -2.893 1.00 0.00 C ATOM 0 H VAL A 116 12.377 2.946 -1.423 1.00 0.00 H new ATOM 0 HA VAL A 116 13.137 3.652 -4.213 1.00 0.00 H new ATOM 0 HB VAL A 116 10.756 3.301 -4.891 1.00 0.00 H new ATOM 0 HG11 VAL A 116 10.632 0.805 -4.686 1.00 0.00 H new ATOM 0 HG12 VAL A 116 12.289 1.327 -5.071 1.00 0.00 H new ATOM 0 HG13 VAL A 116 11.869 0.851 -3.408 1.00 0.00 H new ATOM 0 HG21 VAL A 116 9.156 2.234 -3.261 1.00 0.00 H new ATOM 0 HG22 VAL A 116 10.418 2.276 -2.006 1.00 0.00 H new ATOM 0 HG23 VAL A 116 9.741 3.795 -2.638 1.00 0.00 H new ATOM 1717 N ASN A 117 11.623 5.737 -4.158 1.00 0.00 N ATOM 1718 CA ASN A 117 11.195 7.175 -4.088 1.00 0.00 C ATOM 1719 C ASN A 117 9.806 7.328 -4.755 1.00 0.00 C ATOM 1720 O ASN A 117 9.497 6.558 -5.648 1.00 0.00 O ATOM 1721 CB ASN A 117 12.240 8.060 -4.841 1.00 0.00 C ATOM 1722 CG ASN A 117 13.608 7.949 -4.206 1.00 0.00 C ATOM 1723 OD1 ASN A 117 13.743 7.782 -3.026 1.00 0.00 O ATOM 1724 ND2 ASN A 117 14.686 8.040 -4.903 1.00 0.00 N ATOM 0 H ASN A 117 11.627 5.361 -5.106 1.00 0.00 H new ATOM 0 HA ASN A 117 11.134 7.492 -3.047 1.00 0.00 H new ATOM 0 HB2 ASN A 117 12.295 7.753 -5.886 1.00 0.00 H new ATOM 0 HB3 ASN A 117 11.915 9.100 -4.831 1.00 0.00 H new ATOM 0 HD21 ASN A 117 15.596 7.970 -4.447 1.00 0.00 H new ATOM 0 HD22 ASN A 117 14.631 8.182 -5.912 1.00 0.00 H new ATOM 1731 N TYR A 118 9.010 8.289 -4.339 1.00 0.00 N ATOM 1732 CA TYR A 118 7.661 8.453 -4.984 1.00 0.00 C ATOM 1733 C TYR A 118 7.071 9.876 -4.814 1.00 0.00 C ATOM 1734 O TYR A 118 7.370 10.614 -3.889 1.00 0.00 O ATOM 1735 CB TYR A 118 6.692 7.397 -4.403 1.00 0.00 C ATOM 1736 CG TYR A 118 6.454 7.619 -2.917 1.00 0.00 C ATOM 1737 CD1 TYR A 118 5.578 8.590 -2.467 1.00 0.00 C ATOM 1738 CD2 TYR A 118 7.131 6.841 -2.010 1.00 0.00 C ATOM 1739 CE1 TYR A 118 5.391 8.771 -1.115 1.00 0.00 C ATOM 1740 CE2 TYR A 118 6.944 7.025 -0.669 1.00 0.00 C ATOM 1741 CZ TYR A 118 6.082 7.982 -0.217 1.00 0.00 C ATOM 1742 OH TYR A 118 5.941 8.148 1.138 1.00 0.00 O ATOM 0 H TYR A 118 9.228 8.954 -3.597 1.00 0.00 H new ATOM 0 HA TYR A 118 7.791 8.305 -6.056 1.00 0.00 H new ATOM 0 HB2 TYR A 118 5.742 7.441 -4.936 1.00 0.00 H new ATOM 0 HB3 TYR A 118 7.101 6.399 -4.562 1.00 0.00 H new ATOM 0 HD1 TYR A 118 5.042 9.205 -3.175 1.00 0.00 H new ATOM 0 HD2 TYR A 118 7.814 6.080 -2.358 1.00 0.00 H new ATOM 0 HE1 TYR A 118 4.707 9.527 -0.758 1.00 0.00 H new ATOM 0 HE2 TYR A 118 7.481 6.410 0.037 1.00 0.00 H new ATOM 0 HH TYR A 118 6.507 7.500 1.608 1.00 0.00 H new ATOM 1752 N GLN A 119 6.226 10.201 -5.749 1.00 0.00 N ATOM 1753 CA GLN A 119 5.550 11.536 -5.785 1.00 0.00 C ATOM 1754 C GLN A 119 4.055 11.420 -6.205 1.00 0.00 C ATOM 1755 O GLN A 119 3.739 10.558 -7.015 1.00 0.00 O ATOM 1756 CB GLN A 119 6.383 12.428 -6.800 1.00 0.00 C ATOM 1757 CG GLN A 119 7.698 11.685 -7.395 1.00 0.00 C ATOM 1758 CD GLN A 119 8.839 11.459 -6.372 1.00 0.00 C ATOM 1759 OE1 GLN A 119 9.718 10.632 -6.536 1.00 0.00 O ATOM 1760 NE2 GLN A 119 8.876 12.177 -5.295 1.00 0.00 N ATOM 0 H GLN A 119 5.965 9.581 -6.515 1.00 0.00 H new ATOM 0 HA GLN A 119 5.532 11.989 -4.794 1.00 0.00 H new ATOM 0 HB2 GLN A 119 5.737 12.721 -7.627 1.00 0.00 H new ATOM 0 HB3 GLN A 119 6.691 13.344 -6.296 1.00 0.00 H new ATOM 0 HG2 GLN A 119 7.399 10.719 -7.802 1.00 0.00 H new ATOM 0 HG3 GLN A 119 8.086 12.275 -8.225 1.00 0.00 H new ATOM 0 HE21 GLN A 119 8.156 12.879 -5.125 1.00 0.00 H new ATOM 0 HE22 GLN A 119 9.625 12.040 -4.617 1.00 0.00 H new ATOM 1769 N PHE A 120 3.166 12.234 -5.687 1.00 0.00 N ATOM 1770 CA PHE A 120 1.742 12.050 -6.173 1.00 0.00 C ATOM 1771 C PHE A 120 1.674 12.391 -7.710 1.00 0.00 C ATOM 1772 O PHE A 120 2.339 13.285 -8.185 1.00 0.00 O ATOM 1773 CB PHE A 120 0.811 12.975 -5.307 1.00 0.00 C ATOM 1774 CG PHE A 120 0.378 12.217 -4.023 1.00 0.00 C ATOM 1775 CD1 PHE A 120 1.299 11.543 -3.236 1.00 0.00 C ATOM 1776 CD2 PHE A 120 -0.956 12.182 -3.637 1.00 0.00 C ATOM 1777 CE1 PHE A 120 0.892 10.857 -2.109 1.00 0.00 C ATOM 1778 CE2 PHE A 120 -1.353 11.496 -2.507 1.00 0.00 C ATOM 1779 CZ PHE A 120 -0.434 10.830 -1.740 1.00 0.00 C ATOM 0 H PHE A 120 3.333 12.969 -4.999 1.00 0.00 H new ATOM 0 HA PHE A 120 1.404 11.020 -6.057 1.00 0.00 H new ATOM 0 HB2 PHE A 120 1.337 13.892 -5.041 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -0.067 13.267 -5.883 1.00 0.00 H new ATOM 0 HD1 PHE A 120 2.344 11.555 -3.507 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -1.695 12.700 -4.231 1.00 0.00 H new ATOM 0 HE1 PHE A 120 1.623 10.335 -1.509 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -2.396 11.484 -2.226 1.00 0.00 H new ATOM 0 HZ PHE A 120 -0.746 10.291 -0.858 1.00 0.00 H new ATOM 1789 N VAL A 121 0.884 11.664 -8.459 1.00 0.00 N ATOM 1790 CA VAL A 121 0.742 11.893 -9.949 1.00 0.00 C ATOM 1791 C VAL A 121 -0.706 11.632 -10.521 1.00 0.00 C ATOM 1792 O VAL A 121 -1.606 11.157 -9.849 1.00 0.00 O ATOM 1793 CB VAL A 121 1.848 10.957 -10.593 1.00 0.00 C ATOM 1794 CG1 VAL A 121 1.267 9.914 -11.546 1.00 0.00 C ATOM 1795 CG2 VAL A 121 2.887 11.788 -11.381 1.00 0.00 C ATOM 0 H VAL A 121 0.313 10.899 -8.100 1.00 0.00 H new ATOM 0 HA VAL A 121 0.888 12.944 -10.199 1.00 0.00 H new ATOM 0 HB VAL A 121 2.317 10.443 -9.754 1.00 0.00 H new ATOM 0 HG11 VAL A 121 2.073 9.305 -11.954 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.568 9.276 -11.005 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.744 10.416 -12.360 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.634 11.122 -11.812 1.00 0.00 H new ATOM 0 HG22 VAL A 121 2.385 12.336 -12.179 1.00 0.00 H new ATOM 0 HG23 VAL A 121 3.375 12.493 -10.708 1.00 0.00 H new ATOM 1805 N ASP A 122 -0.843 11.963 -11.777 1.00 0.00 N ATOM 1806 CA ASP A 122 -2.138 11.778 -12.497 1.00 0.00 C ATOM 1807 C ASP A 122 -2.166 10.373 -13.144 1.00 0.00 C ATOM 1808 O ASP A 122 -1.131 9.759 -13.344 1.00 0.00 O ATOM 1809 CB ASP A 122 -2.232 12.902 -13.561 1.00 0.00 C ATOM 1810 CG ASP A 122 -2.533 14.242 -12.909 1.00 0.00 C ATOM 1811 OD1 ASP A 122 -1.863 14.548 -11.937 1.00 0.00 O ATOM 1812 OD2 ASP A 122 -3.420 14.879 -13.452 1.00 0.00 O ATOM 0 H ASP A 122 -0.097 12.362 -12.346 1.00 0.00 H new ATOM 0 HA ASP A 122 -2.992 11.842 -11.823 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -1.295 12.964 -14.114 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -3.012 12.661 -14.283 1.00 0.00 H new ATOM 1817 N CYS A 123 -3.337 9.888 -13.472 1.00 0.00 N ATOM 1818 CA CYS A 123 -3.368 8.533 -14.096 1.00 0.00 C ATOM 1819 C CYS A 123 -3.265 8.601 -15.605 1.00 0.00 C ATOM 1820 O CYS A 123 -2.680 7.724 -16.196 1.00 0.00 O ATOM 1821 CB CYS A 123 -4.654 7.837 -13.669 1.00 0.00 C ATOM 1822 SG CYS A 123 -4.937 7.775 -11.881 1.00 0.00 S ATOM 0 H CYS A 123 -4.237 10.349 -13.342 1.00 0.00 H new ATOM 0 HA CYS A 123 -2.503 7.965 -13.754 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -5.497 8.346 -14.137 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -4.643 6.818 -14.055 1.00 0.00 H new ATOM 1827 N ARG A 124 -3.814 9.632 -16.174 1.00 0.00 N ATOM 1828 CA ARG A 124 -3.779 9.811 -17.673 1.00 0.00 C ATOM 1829 C ARG A 124 -3.756 8.469 -18.459 1.00 0.00 C ATOM 1830 O ARG A 124 -2.835 8.223 -19.227 1.00 0.00 O ATOM 1831 CB ARG A 124 -2.511 10.669 -18.036 1.00 0.00 C ATOM 1832 CG ARG A 124 -1.183 10.029 -17.465 1.00 0.00 C ATOM 1833 CD ARG A 124 0.006 10.437 -18.362 1.00 0.00 C ATOM 1834 NE ARG A 124 -0.028 9.456 -19.513 1.00 0.00 N ATOM 1835 CZ ARG A 124 1.023 9.174 -20.191 1.00 0.00 C ATOM 1836 NH1 ARG A 124 1.913 8.435 -19.666 1.00 0.00 N ATOM 1837 NH2 ARG A 124 1.115 9.653 -21.361 1.00 0.00 N ATOM 0 H ARG A 124 -4.295 10.376 -15.669 1.00 0.00 H new ATOM 0 HA ARG A 124 -4.699 10.314 -17.969 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -2.433 10.761 -19.119 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -2.629 11.677 -17.638 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -1.014 10.365 -16.442 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -1.273 8.943 -17.433 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -0.097 11.464 -18.713 1.00 0.00 H new ATOM 0 HD3 ARG A 124 0.950 10.379 -17.820 1.00 0.00 H new ATOM 0 HE ARG A 124 -0.911 9.007 -19.756 1.00 0.00 H new ATOM 0 HH11 ARG A 124 1.785 8.076 -18.720 1.00 0.00 H new ATOM 0 HH12 ARG A 124 2.756 8.200 -20.191 1.00 0.00 H new ATOM 0 HH21 ARG A 124 0.368 10.240 -21.732 1.00 0.00 H new ATOM 0 HH22 ARG A 124 1.936 9.451 -21.932 1.00 0.00 H new ATOM 1851 N ASP A 125 -4.773 7.685 -18.212 1.00 0.00 N ATOM 1852 CA ASP A 125 -4.876 6.360 -18.899 1.00 0.00 C ATOM 1853 C ASP A 125 -5.272 6.564 -20.386 1.00 0.00 C ATOM 1854 O ASP A 125 -4.782 5.793 -21.196 1.00 0.00 O ATOM 1855 CB ASP A 125 -5.930 5.524 -18.108 1.00 0.00 C ATOM 1856 CG ASP A 125 -5.788 4.064 -18.461 1.00 0.00 C ATOM 1857 OD1 ASP A 125 -4.798 3.513 -18.013 1.00 0.00 O ATOM 1858 OD2 ASP A 125 -6.668 3.564 -19.135 1.00 0.00 O ATOM 1859 OXT ASP A 125 -6.039 7.479 -20.641 1.00 0.00 O ATOM 0 H ASP A 125 -5.534 7.902 -17.568 1.00 0.00 H new ATOM 0 HA ASP A 125 -3.924 5.828 -18.908 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -5.790 5.664 -17.036 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -6.936 5.870 -18.346 1.00 0.00 H new