USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 899 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 23 MET CE :methyl -162:sc= -0.0312 (180deg=-0.308) USER MOD Set 1.2: A 96 GLN : amide:sc= 0.178 K(o=1,f=-0.37) USER MOD Set 1.3: A 102 SER OG : rot -165:sc= 0.856 USER MOD Set 2.1: A 101 ASN : amide:sc= -0.422 K(o=-0.12,f=-1!) USER MOD Set 2.2: A 132 GLN : amide:sc= 0.299 K(o=-0.12,f=-5.2!) USER MOD Set 3.1: A 95 THR OG1 : rot 95:sc= 1.12 USER MOD Set 3.2: A 128 ASN : amide:sc= 0.952 K(o=2.1,f=-2.8) USER MOD Set 4.1: A 82 THR OG1 : rot 180:sc= 0.779 USER MOD Set 4.2: A 84 GLN : amide:sc= 0.828 K(o=1.6,f=-0.42) USER MOD Set 5.1: A 78 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 94 TYR OH : rot 94:sc= 1.14 USER MOD Set 6.1: A 34 GLN : amide:sc= 0.202 K(o=-0.85,f=-2.6!) USER MOD Set 6.2: A 38 ASN :FLIP amide:sc= -1.06 F(o=-1.5,f=-0.85) USER MOD Set 7.1: A 11 HIS : no HE2:sc= 1.09 K(o=2.8,f=-9.9!) USER MOD Set 7.2: A 54 ASN : amide:sc= -0.148 X(o=2.8,f=2.6!) USER MOD Set 7.3: A 123 TYR OH : rot -152:sc= 1.85 USER MOD Set 8.1: A 1 GLN :FLIP amide:sc= 0.8 F(o=-0.015,f=1.7) USER MOD Set 8.2: A 63 THR OG1 : rot -150:sc= 0.874 USER MOD Single : A 1 GLN N :NH3+ -164:sc= 1.01 (180deg=0.899) USER MOD Single : A 2 ASN : amide:sc= 0.542 K(o=0.54,f=-4.8!) USER MOD Single : A 3 SER OG : rot -84:sc= 1.89 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 TYR OH : rot 115:sc= -0.043 USER MOD Single : A 12 ASN : amide:sc= -0.0201 K(o=-0.02,f=-3.6!) USER MOD Single : A 17 GLN : amide:sc= -0.367 X(o=-0.37,f=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 1.12 K(o=1.1,f=-0.017) USER MOD Single : A 31 SER OG : rot -41:sc= 1.1 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 74:sc= 0.37 USER MOD Single : A 45 ASN : amide:sc= -0.787 K(o=-0.79,f=-6.6!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.313 K(o=-0.31,f=-3.2!) USER MOD Single : A 73 SER OG : rot 96:sc= 0.552 USER MOD Single : A 77 SER OG : rot 18:sc= 0.799 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 80 TYR OH : rot 151:sc= 1.22 USER MOD Single : A 83 ASN : amide:sc= 1.2 K(o=1.2,f=-3!) USER MOD Single : A 93 HIS :FLIP no HD1:sc= -0.34 F(o=-1.7,f=-0.34) USER MOD Single : A 120 SER OG : rot 2:sc= 0.604 USER MOD Single : A 122 ASN : amide:sc= 0.778 K(o=0.78,f=-5.1!) USER MOD Single : A 135 TYR OH : rot 108:sc= 1.44 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -6.819 9.225 6.294 1.00 1.77 N ATOM 2 CA GLN A 1 -6.221 8.994 4.974 1.00 1.16 C ATOM 3 C GLN A 1 -4.854 8.309 5.078 1.00 1.07 C ATOM 4 O GLN A 1 -4.380 7.746 4.091 1.00 1.30 O ATOM 5 CB GLN A 1 -6.084 10.275 4.164 1.00 0.90 C ATOM 6 CG GLN A 1 -7.362 11.112 4.043 1.00 1.86 C ATOM 7 CD GLN A 1 -7.110 12.365 3.210 1.00 2.40 C ATOM 8 OE1 GLN A 1 -6.501 12.228 2.041 1.00 3.11 O flip ATOM 9 NE2 GLN A 1 -7.395 13.472 3.657 1.00 3.20 N flip ATOM 0 H1 GLN A 1 -7.832 9.432 6.185 1.00 1.77 H new ATOM 0 H2 GLN A 1 -6.701 8.375 6.882 1.00 1.77 H new ATOM 0 H3 GLN A 1 -6.348 10.031 6.752 1.00 1.77 H new ATOM 0 HA GLN A 1 -6.911 8.331 4.452 1.00 1.16 H new ATOM 0 HB2 GLN A 1 -5.307 10.891 4.617 1.00 0.90 H new ATOM 0 HB3 GLN A 1 -5.742 10.017 3.162 1.00 0.90 H new ATOM 0 HG2 GLN A 1 -8.150 10.516 3.583 1.00 1.86 H new ATOM 0 HG3 GLN A 1 -7.713 11.394 5.036 1.00 1.86 H new ATOM 0 HE21 GLN A 1 -7.864 13.552 4.559 1.00 3.20 H new ATOM 0 HE22 GLN A 1 -7.163 14.312 3.126 1.00 3.20 H new ATOM 20 N ASN A 2 -4.187 8.406 6.232 1.00 1.13 N ATOM 21 CA ASN A 2 -2.866 7.839 6.454 1.00 1.26 C ATOM 22 C ASN A 2 -2.938 6.944 7.671 1.00 1.33 C ATOM 23 O ASN A 2 -2.611 7.369 8.776 1.00 2.62 O ATOM 24 CB ASN A 2 -1.854 8.940 6.721 1.00 1.76 C ATOM 25 CG ASN A 2 -1.466 9.738 5.491 1.00 2.16 C ATOM 26 OD1 ASN A 2 -1.533 9.263 4.360 1.00 3.60 O ATOM 27 ND2 ASN A 2 -1.074 10.980 5.720 1.00 2.18 N ATOM 0 H ASN A 2 -4.562 8.890 7.048 1.00 1.13 H new ATOM 0 HA ASN A 2 -2.557 7.281 5.570 1.00 1.26 H new ATOM 0 HB2 ASN A 2 -2.263 9.620 7.468 1.00 1.76 H new ATOM 0 HB3 ASN A 2 -0.956 8.496 7.151 1.00 1.76 H new ATOM 0 HD21 ASN A 2 -0.813 11.584 4.941 1.00 2.18 H new ATOM 0 HD22 ASN A 2 -1.033 11.334 6.676 1.00 2.18 H new ATOM 34 N SER A 3 -3.369 5.707 7.497 1.00 1.03 N ATOM 35 CA SER A 3 -3.390 4.747 8.581 1.00 0.88 C ATOM 36 C SER A 3 -3.260 3.367 7.960 1.00 0.77 C ATOM 37 O SER A 3 -3.610 3.205 6.789 1.00 1.03 O ATOM 38 CB SER A 3 -4.694 4.902 9.373 1.00 1.07 C ATOM 39 OG SER A 3 -5.830 4.850 8.532 1.00 2.64 O ATOM 0 H SER A 3 -3.711 5.344 6.607 1.00 1.03 H new ATOM 0 HA SER A 3 -2.570 4.905 9.282 1.00 0.88 H new ATOM 0 HB2 SER A 3 -4.760 4.113 10.122 1.00 1.07 H new ATOM 0 HB3 SER A 3 -4.682 5.851 9.910 1.00 1.07 H new ATOM 0 HG SER A 3 -5.998 5.738 8.154 1.00 2.64 H new ATOM 45 N PRO A 4 -2.796 2.366 8.716 1.00 0.68 N ATOM 46 CA PRO A 4 -2.852 0.988 8.268 1.00 0.69 C ATOM 47 C PRO A 4 -4.296 0.637 7.887 1.00 0.57 C ATOM 48 O PRO A 4 -4.557 0.046 6.841 1.00 0.68 O ATOM 49 CB PRO A 4 -2.300 0.175 9.444 1.00 0.89 C ATOM 50 CG PRO A 4 -2.492 1.064 10.674 1.00 0.89 C ATOM 51 CD PRO A 4 -2.326 2.463 10.091 1.00 0.84 C ATOM 0 HA PRO A 4 -2.265 0.781 7.373 1.00 0.69 H new ATOM 0 HB2 PRO A 4 -2.833 -0.769 9.554 1.00 0.89 H new ATOM 0 HB3 PRO A 4 -1.248 -0.068 9.295 1.00 0.89 H new ATOM 0 HG2 PRO A 4 -3.474 0.926 11.127 1.00 0.89 H new ATOM 0 HG3 PRO A 4 -1.752 0.855 11.447 1.00 0.89 H new ATOM 0 HD2 PRO A 4 -2.906 3.195 10.654 1.00 0.84 H new ATOM 0 HD3 PRO A 4 -1.285 2.784 10.129 1.00 0.84 H new ATOM 59 N GLN A 5 -5.243 1.050 8.733 1.00 0.51 N ATOM 60 CA GLN A 5 -6.664 0.868 8.489 1.00 0.54 C ATOM 61 C GLN A 5 -7.138 1.561 7.205 1.00 0.51 C ATOM 62 O GLN A 5 -7.970 0.987 6.519 1.00 0.68 O ATOM 63 CB GLN A 5 -7.467 1.297 9.715 1.00 0.67 C ATOM 64 CG GLN A 5 -8.837 0.607 9.754 1.00 2.21 C ATOM 65 CD GLN A 5 -9.592 0.961 11.028 1.00 2.65 C ATOM 66 OE1 GLN A 5 -9.615 0.201 11.992 1.00 3.50 O ATOM 67 NE2 GLN A 5 -10.230 2.120 11.061 1.00 3.11 N ATOM 0 H GLN A 5 -5.036 1.524 9.612 1.00 0.51 H new ATOM 0 HA GLN A 5 -6.841 -0.195 8.323 1.00 0.54 H new ATOM 0 HB2 GLN A 5 -6.910 1.055 10.620 1.00 0.67 H new ATOM 0 HB3 GLN A 5 -7.602 2.378 9.703 1.00 0.67 H new ATOM 0 HG2 GLN A 5 -9.423 0.906 8.885 1.00 2.21 H new ATOM 0 HG3 GLN A 5 -8.706 -0.473 9.694 1.00 2.21 H new ATOM 0 HE21 GLN A 5 -10.202 2.741 10.252 1.00 3.11 H new ATOM 0 HE22 GLN A 5 -10.750 2.392 11.895 1.00 3.11 H new ATOM 76 N ASP A 6 -6.657 2.762 6.861 1.00 0.50 N ATOM 77 CA ASP A 6 -7.058 3.427 5.615 1.00 0.61 C ATOM 78 C ASP A 6 -6.730 2.544 4.420 1.00 0.60 C ATOM 79 O ASP A 6 -7.586 2.290 3.571 1.00 0.75 O ATOM 80 CB ASP A 6 -6.350 4.775 5.408 1.00 0.74 C ATOM 81 CG ASP A 6 -7.163 5.951 5.880 1.00 1.02 C ATOM 82 OD1 ASP A 6 -8.201 6.238 5.245 1.00 2.28 O ATOM 83 OD2 ASP A 6 -6.670 6.662 6.782 1.00 1.69 O ATOM 0 H ASP A 6 -5.992 3.291 7.425 1.00 0.50 H new ATOM 0 HA ASP A 6 -8.131 3.603 5.696 1.00 0.61 H new ATOM 0 HB2 ASP A 6 -5.398 4.763 5.939 1.00 0.74 H new ATOM 0 HB3 ASP A 6 -6.123 4.900 4.349 1.00 0.74 H new ATOM 88 N TYR A 7 -5.469 2.108 4.330 1.00 0.45 N ATOM 89 CA TYR A 7 -5.050 1.239 3.242 1.00 0.42 C ATOM 90 C TYR A 7 -5.973 0.023 3.205 1.00 0.39 C ATOM 91 O TYR A 7 -6.570 -0.274 2.169 1.00 0.39 O ATOM 92 CB TYR A 7 -3.593 0.797 3.416 1.00 0.44 C ATOM 93 CG TYR A 7 -2.555 1.886 3.225 1.00 0.62 C ATOM 94 CD1 TYR A 7 -2.149 2.262 1.933 1.00 1.40 C ATOM 95 CD2 TYR A 7 -1.867 2.395 4.338 1.00 2.23 C ATOM 96 CE1 TYR A 7 -1.111 3.191 1.761 1.00 1.37 C ATOM 97 CE2 TYR A 7 -0.777 3.259 4.165 1.00 2.59 C ATOM 98 CZ TYR A 7 -0.381 3.633 2.874 1.00 1.43 C ATOM 99 OH TYR A 7 0.752 4.366 2.703 1.00 1.91 O ATOM 0 H TYR A 7 -4.732 2.344 4.994 1.00 0.45 H new ATOM 0 HA TYR A 7 -5.115 1.786 2.301 1.00 0.42 H new ATOM 0 HB2 TYR A 7 -3.475 0.378 4.415 1.00 0.44 H new ATOM 0 HB3 TYR A 7 -3.388 -0.005 2.707 1.00 0.44 H new ATOM 0 HD1 TYR A 7 -2.637 1.835 1.070 1.00 1.40 H new ATOM 0 HD2 TYR A 7 -2.180 2.119 5.334 1.00 2.23 H new ATOM 0 HE1 TYR A 7 -0.875 3.564 0.775 1.00 1.37 H new ATOM 0 HE2 TYR A 7 -0.243 3.636 5.025 1.00 2.59 H new ATOM 0 HH TYR A 7 0.617 5.266 3.066 1.00 1.91 H new ATOM 109 N LEU A 8 -6.095 -0.659 4.344 1.00 0.37 N ATOM 110 CA LEU A 8 -6.999 -1.788 4.490 1.00 0.36 C ATOM 111 C LEU A 8 -8.402 -1.476 3.991 1.00 0.32 C ATOM 112 O LEU A 8 -8.964 -2.277 3.259 1.00 0.35 O ATOM 113 CB LEU A 8 -7.034 -2.267 5.946 1.00 0.40 C ATOM 114 CG LEU A 8 -6.070 -3.438 6.146 1.00 0.59 C ATOM 115 CD1 LEU A 8 -5.830 -3.648 7.637 1.00 0.49 C ATOM 116 CD2 LEU A 8 -6.667 -4.727 5.576 1.00 0.95 C ATOM 0 H LEU A 8 -5.567 -0.440 5.189 1.00 0.37 H new ATOM 0 HA LEU A 8 -6.611 -2.592 3.864 1.00 0.36 H new ATOM 0 HB2 LEU A 8 -6.763 -1.447 6.612 1.00 0.40 H new ATOM 0 HB3 LEU A 8 -8.046 -2.572 6.211 1.00 0.40 H new ATOM 0 HG LEU A 8 -5.137 -3.206 5.633 1.00 0.59 H new ATOM 0 HD11 LEU A 8 -5.143 -4.482 7.781 1.00 0.49 H new ATOM 0 HD12 LEU A 8 -5.398 -2.744 8.067 1.00 0.49 H new ATOM 0 HD13 LEU A 8 -6.777 -3.868 8.130 1.00 0.49 H new ATOM 0 HD21 LEU A 8 -5.968 -5.550 5.727 1.00 0.95 H new ATOM 0 HD22 LEU A 8 -7.605 -4.950 6.085 1.00 0.95 H new ATOM 0 HD23 LEU A 8 -6.854 -4.601 4.510 1.00 0.95 H new ATOM 128 N ALA A 9 -8.966 -0.336 4.373 1.00 0.34 N ATOM 129 CA ALA A 9 -10.316 0.040 4.011 1.00 0.35 C ATOM 130 C ALA A 9 -10.438 0.039 2.495 1.00 0.31 C ATOM 131 O ALA A 9 -11.253 -0.698 1.956 1.00 0.30 O ATOM 132 CB ALA A 9 -10.687 1.396 4.619 1.00 0.45 C ATOM 0 H ALA A 9 -8.488 0.357 4.949 1.00 0.34 H new ATOM 0 HA ALA A 9 -11.023 -0.684 4.416 1.00 0.35 H new ATOM 0 HB1 ALA A 9 -11.706 1.657 4.333 1.00 0.45 H new ATOM 0 HB2 ALA A 9 -10.619 1.339 5.705 1.00 0.45 H new ATOM 0 HB3 ALA A 9 -10.001 2.159 4.252 1.00 0.45 H new ATOM 138 N VAL A 10 -9.609 0.818 1.796 1.00 0.32 N ATOM 139 CA VAL A 10 -9.704 0.893 0.342 1.00 0.32 C ATOM 140 C VAL A 10 -9.511 -0.498 -0.288 1.00 0.32 C ATOM 141 O VAL A 10 -10.243 -0.871 -1.205 1.00 0.36 O ATOM 142 CB VAL A 10 -8.748 1.956 -0.237 1.00 0.35 C ATOM 143 CG1 VAL A 10 -8.969 2.088 -1.752 1.00 0.38 C ATOM 144 CG2 VAL A 10 -8.955 3.355 0.365 1.00 0.38 C ATOM 0 H VAL A 10 -8.876 1.396 2.208 1.00 0.32 H new ATOM 0 HA VAL A 10 -10.709 1.223 0.079 1.00 0.32 H new ATOM 0 HB VAL A 10 -7.743 1.613 0.008 1.00 0.35 H new ATOM 0 HG11 VAL A 10 -8.291 2.840 -2.154 1.00 0.38 H new ATOM 0 HG12 VAL A 10 -8.774 1.129 -2.233 1.00 0.38 H new ATOM 0 HG13 VAL A 10 -9.999 2.388 -1.945 1.00 0.38 H new ATOM 0 HG21 VAL A 10 -8.250 4.053 -0.087 1.00 0.38 H new ATOM 0 HG22 VAL A 10 -9.974 3.689 0.168 1.00 0.38 H new ATOM 0 HG23 VAL A 10 -8.788 3.316 1.441 1.00 0.38 H new ATOM 154 N HIS A 11 -8.536 -1.281 0.187 1.00 0.29 N ATOM 155 CA HIS A 11 -8.317 -2.620 -0.354 1.00 0.31 C ATOM 156 C HIS A 11 -9.556 -3.486 -0.178 1.00 0.30 C ATOM 157 O HIS A 11 -10.061 -4.079 -1.125 1.00 0.40 O ATOM 158 CB HIS A 11 -7.133 -3.318 0.321 1.00 0.34 C ATOM 159 CG HIS A 11 -5.795 -2.794 -0.106 1.00 0.35 C ATOM 160 ND1 HIS A 11 -5.335 -1.515 0.076 1.00 0.43 N ATOM 161 CD2 HIS A 11 -4.822 -3.502 -0.753 1.00 0.35 C ATOM 162 CE1 HIS A 11 -4.103 -1.451 -0.445 1.00 0.48 C ATOM 163 NE2 HIS A 11 -3.745 -2.636 -0.967 1.00 0.44 N ATOM 0 H HIS A 11 -7.896 -1.013 0.934 1.00 0.29 H new ATOM 0 HA HIS A 11 -8.099 -2.496 -1.415 1.00 0.31 H new ATOM 0 HB2 HIS A 11 -7.227 -3.209 1.401 1.00 0.34 H new ATOM 0 HB3 HIS A 11 -7.181 -4.385 0.103 1.00 0.34 H new ATOM 0 HD1 HIS A 11 -5.839 -0.751 0.526 1.00 0.43 H new ATOM 0 HD2 HIS A 11 -4.875 -4.540 -1.046 1.00 0.35 H new ATOM 0 HE1 HIS A 11 -3.482 -0.567 -0.445 1.00 0.48 H new ATOM 171 N ASN A 12 -10.011 -3.594 1.061 1.00 0.28 N ATOM 172 CA ASN A 12 -11.144 -4.407 1.453 1.00 0.35 C ATOM 173 C ASN A 12 -12.362 -3.988 0.639 1.00 0.35 C ATOM 174 O ASN A 12 -13.095 -4.847 0.167 1.00 0.38 O ATOM 175 CB ASN A 12 -11.414 -4.246 2.951 1.00 0.47 C ATOM 176 CG ASN A 12 -10.383 -4.907 3.869 1.00 0.63 C ATOM 177 OD1 ASN A 12 -9.591 -5.755 3.454 1.00 1.45 O ATOM 178 ND2 ASN A 12 -10.424 -4.558 5.149 1.00 0.77 N ATOM 0 H ASN A 12 -9.585 -3.100 1.845 1.00 0.28 H new ATOM 0 HA ASN A 12 -10.928 -5.458 1.259 1.00 0.35 H new ATOM 0 HB2 ASN A 12 -11.457 -3.182 3.185 1.00 0.47 H new ATOM 0 HB3 ASN A 12 -12.397 -4.662 3.174 1.00 0.47 H new ATOM 0 HD21 ASN A 12 -9.789 -4.995 5.817 1.00 0.77 H new ATOM 0 HD22 ASN A 12 -11.090 -3.853 5.464 1.00 0.77 H new ATOM 185 N ASP A 13 -12.558 -2.683 0.435 1.00 0.41 N ATOM 186 CA ASP A 13 -13.574 -2.137 -0.458 1.00 0.52 C ATOM 187 C ASP A 13 -13.486 -2.720 -1.861 1.00 0.51 C ATOM 188 O ASP A 13 -14.464 -3.253 -2.388 1.00 0.60 O ATOM 189 CB ASP A 13 -13.481 -0.610 -0.528 1.00 0.62 C ATOM 190 CG ASP A 13 -14.831 0.046 -0.469 1.00 0.81 C ATOM 191 OD1 ASP A 13 -15.652 -0.244 -1.357 1.00 1.48 O ATOM 192 OD2 ASP A 13 -15.028 0.896 0.424 1.00 2.05 O ATOM 0 H ASP A 13 -12.001 -1.964 0.897 1.00 0.41 H new ATOM 0 HA ASP A 13 -14.539 -2.421 -0.037 1.00 0.52 H new ATOM 0 HB2 ASP A 13 -12.867 -0.247 0.296 1.00 0.62 H new ATOM 0 HB3 ASP A 13 -12.979 -0.321 -1.451 1.00 0.62 H new ATOM 197 N ALA A 14 -12.317 -2.572 -2.480 1.00 0.48 N ATOM 198 CA ALA A 14 -12.057 -3.028 -3.835 1.00 0.52 C ATOM 199 C ALA A 14 -12.290 -4.533 -3.948 1.00 0.46 C ATOM 200 O ALA A 14 -12.895 -4.998 -4.910 1.00 0.56 O ATOM 201 CB ALA A 14 -10.623 -2.655 -4.217 1.00 0.57 C ATOM 0 H ALA A 14 -11.512 -2.123 -2.042 1.00 0.48 H new ATOM 0 HA ALA A 14 -12.745 -2.542 -4.527 1.00 0.52 H new ATOM 0 HB1 ALA A 14 -10.417 -2.993 -5.233 1.00 0.57 H new ATOM 0 HB2 ALA A 14 -10.502 -1.573 -4.163 1.00 0.57 H new ATOM 0 HB3 ALA A 14 -9.927 -3.133 -3.528 1.00 0.57 H new ATOM 207 N ARG A 15 -11.809 -5.291 -2.966 1.00 0.38 N ATOM 208 CA ARG A 15 -11.995 -6.729 -2.873 1.00 0.38 C ATOM 209 C ARG A 15 -13.480 -7.045 -2.780 1.00 0.42 C ATOM 210 O ARG A 15 -14.008 -7.832 -3.560 1.00 0.54 O ATOM 211 CB ARG A 15 -11.190 -7.269 -1.678 1.00 0.38 C ATOM 212 CG ARG A 15 -9.713 -7.246 -2.074 1.00 0.41 C ATOM 213 CD ARG A 15 -8.714 -7.648 -0.983 1.00 0.65 C ATOM 214 NE ARG A 15 -8.098 -8.952 -1.266 1.00 1.20 N ATOM 215 CZ ARG A 15 -7.446 -9.732 -0.393 1.00 1.85 C ATOM 216 NH1 ARG A 15 -7.413 -9.420 0.897 1.00 2.52 N ATOM 217 NH2 ARG A 15 -6.803 -10.812 -0.814 1.00 2.89 N ATOM 0 H ARG A 15 -11.265 -4.907 -2.194 1.00 0.38 H new ATOM 0 HA ARG A 15 -11.619 -7.227 -3.767 1.00 0.38 H new ATOM 0 HB2 ARG A 15 -11.360 -6.656 -0.793 1.00 0.38 H new ATOM 0 HB3 ARG A 15 -11.505 -8.282 -1.429 1.00 0.38 H new ATOM 0 HG2 ARG A 15 -9.576 -7.912 -2.926 1.00 0.41 H new ATOM 0 HG3 ARG A 15 -9.465 -6.240 -2.412 1.00 0.41 H new ATOM 0 HD2 ARG A 15 -7.937 -6.888 -0.903 1.00 0.65 H new ATOM 0 HD3 ARG A 15 -9.223 -7.687 -0.020 1.00 0.65 H new ATOM 0 HE ARG A 15 -8.174 -9.298 -2.223 1.00 1.20 H new ATOM 0 HH11 ARG A 15 -7.886 -8.581 1.231 1.00 2.52 H new ATOM 0 HH12 ARG A 15 -6.914 -10.020 1.554 1.00 2.52 H new ATOM 0 HH21 ARG A 15 -6.803 -11.052 -1.805 1.00 2.89 H new ATOM 0 HH22 ARG A 15 -6.308 -11.403 -0.147 1.00 2.89 H new ATOM 231 N ALA A 16 -14.173 -6.399 -1.857 1.00 0.42 N ATOM 232 CA ALA A 16 -15.604 -6.525 -1.675 1.00 0.49 C ATOM 233 C ALA A 16 -16.359 -6.271 -2.981 1.00 0.55 C ATOM 234 O ALA A 16 -17.360 -6.938 -3.236 1.00 0.72 O ATOM 235 CB ALA A 16 -16.037 -5.572 -0.563 1.00 0.62 C ATOM 0 H ALA A 16 -13.740 -5.754 -1.196 1.00 0.42 H new ATOM 0 HA ALA A 16 -15.850 -7.546 -1.383 1.00 0.49 H new ATOM 0 HB1 ALA A 16 -17.113 -5.654 -0.412 1.00 0.62 H new ATOM 0 HB2 ALA A 16 -15.520 -5.832 0.361 1.00 0.62 H new ATOM 0 HB3 ALA A 16 -15.787 -4.549 -0.843 1.00 0.62 H new ATOM 241 N GLN A 17 -15.888 -5.352 -3.825 1.00 0.52 N ATOM 242 CA GLN A 17 -16.524 -5.072 -5.109 1.00 0.63 C ATOM 243 C GLN A 17 -16.387 -6.220 -6.122 1.00 0.64 C ATOM 244 O GLN A 17 -17.132 -6.259 -7.099 1.00 0.90 O ATOM 245 CB GLN A 17 -16.037 -3.723 -5.655 1.00 0.83 C ATOM 246 CG GLN A 17 -16.583 -2.569 -4.803 1.00 1.46 C ATOM 247 CD GLN A 17 -15.786 -1.295 -5.041 1.00 1.39 C ATOM 248 OE1 GLN A 17 -15.835 -0.720 -6.123 1.00 2.22 O ATOM 249 NE2 GLN A 17 -15.018 -0.834 -4.065 1.00 1.63 N ATOM 0 H GLN A 17 -15.061 -4.785 -3.638 1.00 0.52 H new ATOM 0 HA GLN A 17 -17.598 -4.996 -4.936 1.00 0.63 H new ATOM 0 HB2 GLN A 17 -14.947 -3.697 -5.657 1.00 0.83 H new ATOM 0 HB3 GLN A 17 -16.361 -3.604 -6.689 1.00 0.83 H new ATOM 0 HG2 GLN A 17 -17.632 -2.397 -5.045 1.00 1.46 H new ATOM 0 HG3 GLN A 17 -16.539 -2.838 -3.748 1.00 1.46 H new ATOM 0 HE21 GLN A 17 -14.985 -1.320 -3.169 1.00 1.63 H new ATOM 0 HE22 GLN A 17 -14.460 0.007 -4.209 1.00 1.63 H new ATOM 258 N VAL A 18 -15.503 -7.193 -5.895 1.00 0.56 N ATOM 259 CA VAL A 18 -15.496 -8.473 -6.610 1.00 0.64 C ATOM 260 C VAL A 18 -15.749 -9.642 -5.649 1.00 0.70 C ATOM 261 O VAL A 18 -15.472 -10.799 -5.974 1.00 0.86 O ATOM 262 CB VAL A 18 -14.197 -8.632 -7.416 1.00 0.66 C ATOM 263 CG1 VAL A 18 -14.257 -7.763 -8.673 1.00 0.78 C ATOM 264 CG2 VAL A 18 -12.946 -8.229 -6.639 1.00 0.60 C ATOM 0 H VAL A 18 -14.761 -7.114 -5.200 1.00 0.56 H new ATOM 0 HA VAL A 18 -16.317 -8.482 -7.327 1.00 0.64 H new ATOM 0 HB VAL A 18 -14.123 -9.693 -7.656 1.00 0.66 H new ATOM 0 HG11 VAL A 18 -13.334 -7.880 -9.240 1.00 0.78 H new ATOM 0 HG12 VAL A 18 -15.102 -8.071 -9.288 1.00 0.78 H new ATOM 0 HG13 VAL A 18 -14.378 -6.718 -8.387 1.00 0.78 H new ATOM 0 HG21 VAL A 18 -12.067 -8.367 -7.268 1.00 0.60 H new ATOM 0 HG22 VAL A 18 -13.022 -7.182 -6.345 1.00 0.60 H new ATOM 0 HG23 VAL A 18 -12.855 -8.850 -5.748 1.00 0.60 H new ATOM 274 N GLY A 19 -16.285 -9.364 -4.461 1.00 0.71 N ATOM 275 CA GLY A 19 -16.576 -10.369 -3.454 1.00 0.78 C ATOM 276 C GLY A 19 -15.349 -11.200 -3.066 1.00 0.82 C ATOM 277 O GLY A 19 -15.469 -12.365 -2.680 1.00 1.18 O ATOM 0 H GLY A 19 -16.531 -8.417 -4.172 1.00 0.71 H new ATOM 0 HA2 GLY A 19 -16.973 -9.880 -2.564 1.00 0.78 H new ATOM 0 HA3 GLY A 19 -17.355 -11.034 -3.827 1.00 0.78 H new ATOM 281 N VAL A 20 -14.159 -10.611 -3.147 1.00 0.66 N ATOM 282 CA VAL A 20 -12.926 -11.205 -2.665 1.00 0.66 C ATOM 283 C VAL A 20 -12.837 -10.904 -1.165 1.00 0.70 C ATOM 284 O VAL A 20 -13.285 -9.846 -0.719 1.00 0.74 O ATOM 285 CB VAL A 20 -11.729 -10.646 -3.453 1.00 0.64 C ATOM 286 CG1 VAL A 20 -10.424 -11.175 -2.863 1.00 0.73 C ATOM 287 CG2 VAL A 20 -11.753 -11.036 -4.938 1.00 0.67 C ATOM 0 H VAL A 20 -14.028 -9.687 -3.559 1.00 0.66 H new ATOM 0 HA VAL A 20 -12.911 -12.285 -2.815 1.00 0.66 H new ATOM 0 HB VAL A 20 -11.798 -9.561 -3.376 1.00 0.64 H new ATOM 0 HG11 VAL A 20 -9.581 -10.775 -3.427 1.00 0.73 H new ATOM 0 HG12 VAL A 20 -10.344 -10.865 -1.821 1.00 0.73 H new ATOM 0 HG13 VAL A 20 -10.414 -12.263 -2.920 1.00 0.73 H new ATOM 0 HG21 VAL A 20 -10.883 -10.612 -5.440 1.00 0.67 H new ATOM 0 HG22 VAL A 20 -11.731 -12.122 -5.029 1.00 0.67 H new ATOM 0 HG23 VAL A 20 -12.662 -10.651 -5.401 1.00 0.67 H new ATOM 297 N GLY A 21 -12.301 -11.839 -0.380 1.00 0.77 N ATOM 298 CA GLY A 21 -12.159 -11.657 1.057 1.00 0.85 C ATOM 299 C GLY A 21 -11.192 -10.511 1.382 1.00 0.83 C ATOM 300 O GLY A 21 -10.326 -10.189 0.566 1.00 0.76 O ATOM 0 H GLY A 21 -11.957 -12.736 -0.723 1.00 0.77 H new ATOM 0 HA2 GLY A 21 -13.134 -11.448 1.497 1.00 0.85 H new ATOM 0 HA3 GLY A 21 -11.796 -12.580 1.508 1.00 0.85 H new ATOM 304 N PRO A 22 -11.320 -9.887 2.561 1.00 0.99 N ATOM 305 CA PRO A 22 -10.440 -8.815 3.000 1.00 0.94 C ATOM 306 C PRO A 22 -9.062 -9.366 3.391 1.00 0.85 C ATOM 307 O PRO A 22 -8.815 -10.566 3.302 1.00 1.00 O ATOM 308 CB PRO A 22 -11.171 -8.182 4.190 1.00 1.16 C ATOM 309 CG PRO A 22 -11.961 -9.348 4.784 1.00 1.33 C ATOM 310 CD PRO A 22 -12.335 -10.177 3.559 1.00 1.23 C ATOM 0 HA PRO A 22 -10.243 -8.082 2.218 1.00 0.94 H new ATOM 0 HB2 PRO A 22 -10.472 -7.761 4.913 1.00 1.16 H new ATOM 0 HB3 PRO A 22 -11.828 -7.372 3.873 1.00 1.16 H new ATOM 0 HG2 PRO A 22 -11.361 -9.922 5.491 1.00 1.33 H new ATOM 0 HG3 PRO A 22 -12.844 -9.003 5.322 1.00 1.33 H new ATOM 0 HD2 PRO A 22 -12.356 -11.240 3.798 1.00 1.23 H new ATOM 0 HD3 PRO A 22 -13.328 -9.912 3.196 1.00 1.23 H new ATOM 318 N MET A 23 -8.139 -8.491 3.791 1.00 0.84 N ATOM 319 CA MET A 23 -6.821 -8.845 4.330 1.00 0.74 C ATOM 320 C MET A 23 -6.727 -8.336 5.767 1.00 0.65 C ATOM 321 O MET A 23 -7.652 -7.671 6.234 1.00 0.71 O ATOM 322 CB MET A 23 -5.692 -8.260 3.459 1.00 0.70 C ATOM 323 CG MET A 23 -5.914 -6.837 2.920 1.00 0.89 C ATOM 324 SD MET A 23 -5.933 -6.643 1.119 1.00 1.33 S ATOM 325 CE MET A 23 -4.333 -7.331 0.639 1.00 1.02 C ATOM 0 H MET A 23 -8.291 -7.483 3.748 1.00 0.84 H new ATOM 0 HA MET A 23 -6.703 -9.929 4.320 1.00 0.74 H new ATOM 0 HB2 MET A 23 -4.772 -8.265 4.043 1.00 0.70 H new ATOM 0 HB3 MET A 23 -5.534 -8.926 2.611 1.00 0.70 H new ATOM 0 HG2 MET A 23 -6.862 -6.469 3.312 1.00 0.89 H new ATOM 0 HG3 MET A 23 -5.131 -6.194 3.323 1.00 0.89 H new ATOM 0 HE1 MET A 23 -4.079 -6.994 -0.366 1.00 1.02 H new ATOM 0 HE2 MET A 23 -3.568 -6.995 1.339 1.00 1.02 H new ATOM 0 HE3 MET A 23 -4.386 -8.420 0.654 1.00 1.02 H new ATOM 335 N SER A 24 -5.621 -8.616 6.456 1.00 0.66 N ATOM 336 CA SER A 24 -5.206 -7.868 7.630 1.00 0.63 C ATOM 337 C SER A 24 -3.892 -7.159 7.357 1.00 0.56 C ATOM 338 O SER A 24 -3.228 -7.362 6.339 1.00 0.62 O ATOM 339 CB SER A 24 -5.207 -8.726 8.909 1.00 0.81 C ATOM 340 OG SER A 24 -3.930 -9.155 9.359 1.00 0.83 O ATOM 0 H SER A 24 -4.987 -9.375 6.209 1.00 0.66 H new ATOM 0 HA SER A 24 -5.947 -7.094 7.832 1.00 0.63 H new ATOM 0 HB2 SER A 24 -5.682 -8.156 9.708 1.00 0.81 H new ATOM 0 HB3 SER A 24 -5.826 -9.606 8.735 1.00 0.81 H new ATOM 0 HG SER A 24 -4.033 -9.689 10.174 1.00 0.83 H new ATOM 346 N TRP A 25 -3.526 -6.310 8.305 1.00 0.59 N ATOM 347 CA TRP A 25 -2.257 -5.625 8.278 1.00 0.59 C ATOM 348 C TRP A 25 -1.197 -6.604 8.753 1.00 0.62 C ATOM 349 O TRP A 25 -1.508 -7.497 9.549 1.00 0.99 O ATOM 350 CB TRP A 25 -2.301 -4.410 9.210 1.00 0.62 C ATOM 351 CG TRP A 25 -1.307 -3.369 8.843 1.00 0.68 C ATOM 352 CD1 TRP A 25 -0.233 -2.950 9.546 1.00 0.75 C ATOM 353 CD2 TRP A 25 -1.315 -2.605 7.617 1.00 0.72 C ATOM 354 NE1 TRP A 25 0.399 -1.947 8.837 1.00 0.84 N ATOM 355 CE2 TRP A 25 -0.224 -1.695 7.632 1.00 0.82 C ATOM 356 CE3 TRP A 25 -2.175 -2.582 6.508 1.00 0.73 C ATOM 357 CZ2 TRP A 25 -0.014 -0.773 6.596 1.00 0.90 C ATOM 358 CZ3 TRP A 25 -1.970 -1.681 5.462 1.00 0.82 C ATOM 359 CH2 TRP A 25 -0.912 -0.761 5.514 1.00 0.89 C ATOM 0 H TRP A 25 -4.106 -6.081 9.112 1.00 0.59 H new ATOM 0 HA TRP A 25 -2.031 -5.275 7.271 1.00 0.59 H new ATOM 0 HB2 TRP A 25 -3.301 -3.976 9.187 1.00 0.62 H new ATOM 0 HB3 TRP A 25 -2.118 -4.736 10.234 1.00 0.62 H new ATOM 0 HD1 TRP A 25 0.080 -3.336 10.505 1.00 0.75 H new ATOM 0 HE1 TRP A 25 1.228 -1.451 9.165 1.00 0.84 H new ATOM 0 HE3 TRP A 25 -3.006 -3.270 6.463 1.00 0.73 H new ATOM 0 HZ2 TRP A 25 0.820 -0.087 6.629 1.00 0.90 H new ATOM 0 HZ3 TRP A 25 -2.630 -1.692 4.607 1.00 0.82 H new ATOM 0 HH2 TRP A 25 -0.787 -0.040 4.719 1.00 0.89 H new ATOM 370 N ASP A 26 0.051 -6.407 8.345 1.00 0.55 N ATOM 371 CA ASP A 26 1.204 -6.967 9.028 1.00 0.50 C ATOM 372 C ASP A 26 2.200 -5.845 9.280 1.00 0.71 C ATOM 373 O ASP A 26 2.654 -5.164 8.358 1.00 1.34 O ATOM 374 CB ASP A 26 1.838 -8.089 8.220 1.00 0.51 C ATOM 375 CG ASP A 26 3.215 -8.437 8.747 1.00 1.86 C ATOM 376 OD1 ASP A 26 3.447 -8.350 9.970 1.00 3.05 O ATOM 377 OD2 ASP A 26 4.059 -8.777 7.898 1.00 2.70 O ATOM 0 H ASP A 26 0.290 -5.850 7.525 1.00 0.55 H new ATOM 0 HA ASP A 26 0.889 -7.404 9.976 1.00 0.50 H new ATOM 0 HB2 ASP A 26 1.199 -8.971 8.255 1.00 0.51 H new ATOM 0 HB3 ASP A 26 1.911 -7.790 7.174 1.00 0.51 H new ATOM 382 N ALA A 27 2.535 -5.664 10.551 1.00 0.54 N ATOM 383 CA ALA A 27 3.490 -4.670 10.976 1.00 0.62 C ATOM 384 C ALA A 27 4.881 -4.971 10.420 1.00 0.53 C ATOM 385 O ALA A 27 5.687 -4.055 10.315 1.00 0.53 O ATOM 386 CB ALA A 27 3.507 -4.602 12.501 1.00 0.83 C ATOM 0 H ALA A 27 2.143 -6.212 11.317 1.00 0.54 H new ATOM 0 HA ALA A 27 3.190 -3.698 10.583 1.00 0.62 H new ATOM 0 HB1 ALA A 27 4.228 -3.851 12.824 1.00 0.83 H new ATOM 0 HB2 ALA A 27 2.515 -4.332 12.864 1.00 0.83 H new ATOM 0 HB3 ALA A 27 3.790 -5.574 12.905 1.00 0.83 H new ATOM 392 N ASN A 28 5.221 -6.223 10.105 1.00 0.55 N ATOM 393 CA ASN A 28 6.553 -6.554 9.605 1.00 0.55 C ATOM 394 C ASN A 28 6.680 -6.136 8.150 1.00 0.47 C ATOM 395 O ASN A 28 7.664 -5.507 7.766 1.00 0.50 O ATOM 396 CB ASN A 28 6.863 -8.052 9.679 1.00 0.62 C ATOM 397 CG ASN A 28 6.808 -8.656 11.068 1.00 0.83 C ATOM 398 OD1 ASN A 28 7.842 -8.870 11.695 1.00 1.63 O ATOM 399 ND2 ASN A 28 5.618 -9.003 11.544 1.00 1.88 N ATOM 0 H ASN A 28 4.592 -7.022 10.188 1.00 0.55 H new ATOM 0 HA ASN A 28 7.257 -6.019 10.243 1.00 0.55 H new ATOM 0 HB2 ASN A 28 6.158 -8.584 9.041 1.00 0.62 H new ATOM 0 HB3 ASN A 28 7.857 -8.222 9.266 1.00 0.62 H new ATOM 0 HD21 ASN A 28 5.546 -9.460 12.453 1.00 1.88 H new ATOM 0 HD22 ASN A 28 4.776 -8.812 11.001 1.00 1.88 H new ATOM 406 N LEU A 29 5.709 -6.490 7.308 1.00 0.45 N ATOM 407 CA LEU A 29 5.666 -5.950 5.963 1.00 0.41 C ATOM 408 C LEU A 29 5.709 -4.426 6.030 1.00 0.37 C ATOM 409 O LEU A 29 6.510 -3.803 5.337 1.00 0.39 O ATOM 410 CB LEU A 29 4.385 -6.396 5.251 1.00 0.45 C ATOM 411 CG LEU A 29 4.410 -7.817 4.683 1.00 0.67 C ATOM 412 CD1 LEU A 29 2.993 -8.149 4.214 1.00 0.98 C ATOM 413 CD2 LEU A 29 5.329 -7.882 3.464 1.00 0.77 C ATOM 0 H LEU A 29 4.955 -7.139 7.535 1.00 0.45 H new ATOM 0 HA LEU A 29 6.525 -6.320 5.404 1.00 0.41 H new ATOM 0 HB2 LEU A 29 3.554 -6.318 5.952 1.00 0.45 H new ATOM 0 HB3 LEU A 29 4.181 -5.701 4.436 1.00 0.45 H new ATOM 0 HG LEU A 29 4.765 -8.511 5.445 1.00 0.67 H new ATOM 0 HD11 LEU A 29 2.973 -9.158 3.802 1.00 0.98 H new ATOM 0 HD12 LEU A 29 2.307 -8.089 5.059 1.00 0.98 H new ATOM 0 HD13 LEU A 29 2.688 -7.438 3.447 1.00 0.98 H new ATOM 0 HD21 LEU A 29 5.338 -8.898 3.069 1.00 0.77 H new ATOM 0 HD22 LEU A 29 4.965 -7.198 2.697 1.00 0.77 H new ATOM 0 HD23 LEU A 29 6.340 -7.597 3.755 1.00 0.77 H new ATOM 425 N ALA A 30 4.860 -3.824 6.864 1.00 0.39 N ATOM 426 CA ALA A 30 4.805 -2.377 6.983 1.00 0.39 C ATOM 427 C ALA A 30 6.170 -1.809 7.375 1.00 0.38 C ATOM 428 O ALA A 30 6.625 -0.836 6.778 1.00 0.38 O ATOM 429 CB ALA A 30 3.716 -1.973 7.973 1.00 0.46 C ATOM 0 H ALA A 30 4.203 -4.322 7.465 1.00 0.39 H new ATOM 0 HA ALA A 30 4.549 -1.953 6.012 1.00 0.39 H new ATOM 0 HB1 ALA A 30 3.683 -0.887 8.055 1.00 0.46 H new ATOM 0 HB2 ALA A 30 2.751 -2.340 7.622 1.00 0.46 H new ATOM 0 HB3 ALA A 30 3.935 -2.404 8.950 1.00 0.46 H new ATOM 435 N SER A 31 6.843 -2.415 8.354 1.00 0.43 N ATOM 436 CA SER A 31 8.137 -1.963 8.805 1.00 0.50 C ATOM 437 C SER A 31 9.149 -2.040 7.666 1.00 0.49 C ATOM 438 O SER A 31 9.876 -1.082 7.408 1.00 0.54 O ATOM 439 CB SER A 31 8.565 -2.795 10.014 1.00 0.58 C ATOM 440 OG SER A 31 8.940 -4.103 9.672 1.00 0.96 O ATOM 0 H SER A 31 6.495 -3.235 8.851 1.00 0.43 H new ATOM 0 HA SER A 31 8.083 -0.919 9.114 1.00 0.50 H new ATOM 0 HB2 SER A 31 9.400 -2.301 10.511 1.00 0.58 H new ATOM 0 HB3 SER A 31 7.745 -2.833 10.731 1.00 0.58 H new ATOM 0 HG SER A 31 8.324 -4.454 8.995 1.00 0.96 H new ATOM 446 N ARG A 32 9.190 -3.177 6.969 1.00 0.49 N ATOM 447 CA ARG A 32 10.110 -3.376 5.868 1.00 0.62 C ATOM 448 C ARG A 32 9.838 -2.338 4.788 1.00 0.53 C ATOM 449 O ARG A 32 10.774 -1.796 4.216 1.00 0.55 O ATOM 450 CB ARG A 32 9.951 -4.790 5.296 1.00 0.79 C ATOM 451 CG ARG A 32 11.042 -5.088 4.262 1.00 1.05 C ATOM 452 CD ARG A 32 10.461 -5.289 2.853 1.00 2.42 C ATOM 453 NE ARG A 32 11.527 -5.512 1.864 1.00 3.33 N ATOM 454 CZ ARG A 32 12.285 -6.613 1.764 1.00 3.79 C ATOM 455 NH1 ARG A 32 11.994 -7.705 2.475 1.00 3.80 N ATOM 456 NH2 ARG A 32 13.348 -6.594 0.965 1.00 4.74 N ATOM 0 H ARG A 32 8.586 -3.977 7.157 1.00 0.49 H new ATOM 0 HA ARG A 32 11.133 -3.261 6.227 1.00 0.62 H new ATOM 0 HB2 ARG A 32 10.000 -5.521 6.103 1.00 0.79 H new ATOM 0 HB3 ARG A 32 8.969 -4.891 4.834 1.00 0.79 H new ATOM 0 HG2 ARG A 32 11.759 -4.267 4.245 1.00 1.05 H new ATOM 0 HG3 ARG A 32 11.589 -5.983 4.560 1.00 1.05 H new ATOM 0 HD2 ARG A 32 9.780 -6.140 2.856 1.00 2.42 H new ATOM 0 HD3 ARG A 32 9.876 -4.414 2.570 1.00 2.42 H new ATOM 0 HE ARG A 32 11.705 -4.763 1.195 1.00 3.33 H new ATOM 0 HH11 ARG A 32 11.189 -7.706 3.101 1.00 3.80 H new ATOM 0 HH12 ARG A 32 12.577 -8.538 2.392 1.00 3.80 H new ATOM 0 HH21 ARG A 32 13.576 -5.750 0.440 1.00 4.74 H new ATOM 0 HH22 ARG A 32 13.935 -7.423 0.878 1.00 4.74 H new ATOM 470 N ALA A 33 8.568 -2.073 4.489 1.00 0.48 N ATOM 471 CA ALA A 33 8.181 -1.083 3.502 1.00 0.49 C ATOM 472 C ALA A 33 8.630 0.313 3.944 1.00 0.50 C ATOM 473 O ALA A 33 9.143 1.078 3.132 1.00 0.56 O ATOM 474 CB ALA A 33 6.670 -1.154 3.274 1.00 0.46 C ATOM 0 H ALA A 33 7.779 -2.545 4.930 1.00 0.48 H new ATOM 0 HA ALA A 33 8.676 -1.294 2.554 1.00 0.49 H new ATOM 0 HB1 ALA A 33 6.379 -0.410 2.532 1.00 0.46 H new ATOM 0 HB2 ALA A 33 6.402 -2.148 2.916 1.00 0.46 H new ATOM 0 HB3 ALA A 33 6.151 -0.954 4.211 1.00 0.46 H new ATOM 480 N GLN A 34 8.430 0.655 5.219 1.00 0.50 N ATOM 481 CA GLN A 34 8.822 1.940 5.782 1.00 0.57 C ATOM 482 C GLN A 34 10.329 2.119 5.644 1.00 0.60 C ATOM 483 O GLN A 34 10.778 3.099 5.053 1.00 0.56 O ATOM 484 CB GLN A 34 8.350 2.026 7.245 1.00 0.68 C ATOM 485 CG GLN A 34 8.750 3.333 7.947 1.00 1.02 C ATOM 486 CD GLN A 34 8.252 4.546 7.182 1.00 0.90 C ATOM 487 OE1 GLN A 34 7.090 4.587 6.784 1.00 2.06 O ATOM 488 NE2 GLN A 34 9.122 5.503 6.897 1.00 1.34 N ATOM 0 H GLN A 34 7.984 0.035 5.895 1.00 0.50 H new ATOM 0 HA GLN A 34 8.346 2.756 5.237 1.00 0.57 H new ATOM 0 HB2 GLN A 34 7.265 1.926 7.274 1.00 0.68 H new ATOM 0 HB3 GLN A 34 8.763 1.184 7.801 1.00 0.68 H new ATOM 0 HG2 GLN A 34 8.342 3.345 8.957 1.00 1.02 H new ATOM 0 HG3 GLN A 34 9.835 3.380 8.041 1.00 1.02 H new ATOM 0 HE21 GLN A 34 10.080 5.441 7.242 1.00 1.34 H new ATOM 0 HE22 GLN A 34 8.834 6.302 6.333 1.00 1.34 H new ATOM 497 N ASN A 35 11.100 1.163 6.164 1.00 0.73 N ATOM 498 CA ASN A 35 12.521 1.068 5.866 1.00 0.70 C ATOM 499 C ASN A 35 12.797 1.280 4.394 1.00 0.73 C ATOM 500 O ASN A 35 13.425 2.257 4.041 1.00 0.97 O ATOM 501 CB ASN A 35 13.134 -0.271 6.310 1.00 0.80 C ATOM 502 CG ASN A 35 13.817 -0.185 7.661 1.00 1.13 C ATOM 503 OD1 ASN A 35 13.348 -0.690 8.679 1.00 1.45 O ATOM 504 ND2 ASN A 35 14.993 0.422 7.654 1.00 2.80 N ATOM 0 H ASN A 35 10.757 0.441 6.797 1.00 0.73 H new ATOM 0 HA ASN A 35 12.995 1.864 6.440 1.00 0.70 H new ATOM 0 HB2 ASN A 35 12.351 -1.028 6.351 1.00 0.80 H new ATOM 0 HB3 ASN A 35 13.856 -0.600 5.563 1.00 0.80 H new ATOM 0 HD21 ASN A 35 15.541 0.482 8.512 1.00 2.80 H new ATOM 0 HD22 ASN A 35 15.351 0.830 6.790 1.00 2.80 H new ATOM 511 N TYR A 36 12.338 0.380 3.536 1.00 0.65 N ATOM 512 CA TYR A 36 12.672 0.368 2.123 1.00 0.70 C ATOM 513 C TYR A 36 12.480 1.749 1.497 1.00 0.63 C ATOM 514 O TYR A 36 13.374 2.257 0.819 1.00 0.67 O ATOM 515 CB TYR A 36 11.810 -0.701 1.436 1.00 0.75 C ATOM 516 CG TYR A 36 12.083 -0.931 -0.033 1.00 0.81 C ATOM 517 CD1 TYR A 36 13.402 -1.108 -0.488 1.00 2.18 C ATOM 518 CD2 TYR A 36 11.006 -1.128 -0.920 1.00 1.78 C ATOM 519 CE1 TYR A 36 13.641 -1.485 -1.818 1.00 2.32 C ATOM 520 CE2 TYR A 36 11.250 -1.527 -2.243 1.00 1.93 C ATOM 521 CZ TYR A 36 12.563 -1.769 -2.670 1.00 1.38 C ATOM 522 OH TYR A 36 12.805 -2.185 -3.942 1.00 1.78 O ATOM 0 H TYR A 36 11.711 -0.376 3.810 1.00 0.65 H new ATOM 0 HA TYR A 36 13.725 0.120 1.990 1.00 0.70 H new ATOM 0 HB2 TYR A 36 11.949 -1.645 1.963 1.00 0.75 H new ATOM 0 HB3 TYR A 36 10.762 -0.423 1.551 1.00 0.75 H new ATOM 0 HD1 TYR A 36 14.231 -0.954 0.187 1.00 2.18 H new ATOM 0 HD2 TYR A 36 9.992 -0.972 -0.581 1.00 1.78 H new ATOM 0 HE1 TYR A 36 14.654 -1.557 -2.186 1.00 2.32 H new ATOM 0 HE2 TYR A 36 10.427 -1.648 -2.932 1.00 1.93 H new ATOM 0 HH TYR A 36 11.954 -2.341 -4.403 1.00 1.78 H new ATOM 532 N ALA A 37 11.317 2.348 1.735 1.00 0.57 N ATOM 533 CA ALA A 37 10.994 3.690 1.286 1.00 0.59 C ATOM 534 C ALA A 37 12.039 4.698 1.783 1.00 0.61 C ATOM 535 O ALA A 37 12.502 5.551 1.029 1.00 0.77 O ATOM 536 CB ALA A 37 9.583 4.033 1.785 1.00 0.58 C ATOM 0 H ALA A 37 10.561 1.902 2.255 1.00 0.57 H new ATOM 0 HA ALA A 37 11.012 3.740 0.197 1.00 0.59 H new ATOM 0 HB1 ALA A 37 9.317 5.039 1.460 1.00 0.58 H new ATOM 0 HB2 ALA A 37 8.869 3.318 1.376 1.00 0.58 H new ATOM 0 HB3 ALA A 37 9.561 3.986 2.874 1.00 0.58 H new ATOM 542 N ASN A 38 12.404 4.609 3.061 1.00 0.55 N ATOM 543 CA ASN A 38 13.397 5.475 3.687 1.00 0.62 C ATOM 544 C ASN A 38 14.782 5.273 3.074 1.00 0.63 C ATOM 545 O ASN A 38 15.399 6.218 2.588 1.00 0.68 O ATOM 546 CB ASN A 38 13.458 5.213 5.204 1.00 0.76 C ATOM 547 CG ASN A 38 12.802 6.300 6.042 1.00 1.06 C ATOM 548 OD1 ASN A 38 12.273 5.938 7.207 1.00 1.72 O flip ATOM 549 ND2 ASN A 38 12.780 7.474 5.671 1.00 1.30 N flip ATOM 0 H ASN A 38 12.009 3.919 3.701 1.00 0.55 H new ATOM 0 HA ASN A 38 13.092 6.506 3.509 1.00 0.62 H new ATOM 0 HB2 ASN A 38 12.974 4.260 5.418 1.00 0.76 H new ATOM 0 HB3 ASN A 38 14.501 5.115 5.505 1.00 0.76 H new ATOM 0 HD21 ASN A 38 13.191 7.733 4.774 1.00 1.30 H new ATOM 0 HD22 ASN A 38 12.351 8.187 6.261 1.00 1.30 H new ATOM 556 N SER A 39 15.293 4.045 3.134 1.00 0.73 N ATOM 557 CA SER A 39 16.650 3.662 2.809 1.00 0.92 C ATOM 558 C SER A 39 17.050 4.077 1.395 1.00 1.06 C ATOM 559 O SER A 39 18.234 4.292 1.138 1.00 1.40 O ATOM 560 CB SER A 39 16.770 2.143 2.982 1.00 1.07 C ATOM 561 OG SER A 39 16.201 1.737 4.219 1.00 2.24 O ATOM 0 H SER A 39 14.730 3.248 3.430 1.00 0.73 H new ATOM 0 HA SER A 39 17.333 4.181 3.482 1.00 0.92 H new ATOM 0 HB2 SER A 39 16.266 1.636 2.159 1.00 1.07 H new ATOM 0 HB3 SER A 39 17.819 1.848 2.943 1.00 1.07 H new ATOM 0 HG SER A 39 15.224 1.780 4.160 1.00 2.24 H new ATOM 567 N ARG A 40 16.092 4.151 0.472 1.00 1.06 N ATOM 568 CA ARG A 40 16.336 4.507 -0.917 1.00 1.34 C ATOM 569 C ARG A 40 15.951 5.956 -1.233 1.00 1.29 C ATOM 570 O ARG A 40 15.959 6.327 -2.403 1.00 1.82 O ATOM 571 CB ARG A 40 15.541 3.545 -1.803 1.00 1.60 C ATOM 572 CG ARG A 40 16.113 2.119 -1.800 1.00 2.27 C ATOM 573 CD ARG A 40 15.819 1.371 -3.111 1.00 2.24 C ATOM 574 NE ARG A 40 16.447 2.047 -4.260 1.00 2.28 N ATOM 575 CZ ARG A 40 17.355 1.528 -5.096 1.00 3.18 C ATOM 576 NH1 ARG A 40 17.506 0.209 -5.239 1.00 3.82 N ATOM 577 NH2 ARG A 40 18.119 2.373 -5.778 1.00 3.91 N ATOM 0 H ARG A 40 15.111 3.962 0.676 1.00 1.06 H new ATOM 0 HA ARG A 40 17.406 4.425 -1.111 1.00 1.34 H new ATOM 0 HB2 ARG A 40 14.506 3.517 -1.463 1.00 1.60 H new ATOM 0 HB3 ARG A 40 15.530 3.925 -2.825 1.00 1.60 H new ATOM 0 HG2 ARG A 40 17.191 2.162 -1.643 1.00 2.27 H new ATOM 0 HG3 ARG A 40 15.691 1.562 -0.964 1.00 2.27 H new ATOM 0 HD2 ARG A 40 16.189 0.348 -3.040 1.00 2.24 H new ATOM 0 HD3 ARG A 40 14.742 1.311 -3.265 1.00 2.24 H new ATOM 0 HE ARG A 40 16.160 3.010 -4.437 1.00 2.28 H new ATOM 0 HH11 ARG A 40 16.921 -0.432 -4.703 1.00 3.82 H new ATOM 0 HH12 ARG A 40 18.206 -0.157 -5.884 1.00 3.82 H new ATOM 0 HH21 ARG A 40 18.003 3.379 -5.655 1.00 3.91 H new ATOM 0 HH22 ARG A 40 18.822 2.016 -6.425 1.00 3.91 H new ATOM 591 N ALA A 41 15.603 6.779 -0.242 1.00 1.17 N ATOM 592 CA ALA A 41 14.938 8.066 -0.447 1.00 1.10 C ATOM 593 C ALA A 41 15.592 9.003 -1.469 1.00 1.27 C ATOM 594 O ALA A 41 14.902 9.832 -2.064 1.00 2.25 O ATOM 595 CB ALA A 41 14.772 8.766 0.904 1.00 1.21 C ATOM 0 H ALA A 41 15.778 6.566 0.740 1.00 1.17 H new ATOM 0 HA ALA A 41 13.972 7.830 -0.892 1.00 1.10 H new ATOM 0 HB1 ALA A 41 14.277 9.726 0.758 1.00 1.21 H new ATOM 0 HB2 ALA A 41 14.169 8.143 1.565 1.00 1.21 H new ATOM 0 HB3 ALA A 41 15.752 8.928 1.353 1.00 1.21 H new ATOM 601 N GLY A 42 16.897 8.893 -1.693 1.00 1.17 N ATOM 602 CA GLY A 42 17.577 9.661 -2.720 1.00 1.37 C ATOM 603 C GLY A 42 17.015 9.396 -4.119 1.00 1.33 C ATOM 604 O GLY A 42 16.878 10.334 -4.905 1.00 1.73 O ATOM 0 H GLY A 42 17.509 8.269 -1.167 1.00 1.17 H new ATOM 0 HA2 GLY A 42 17.490 10.723 -2.492 1.00 1.37 H new ATOM 0 HA3 GLY A 42 18.640 9.418 -2.707 1.00 1.37 H new ATOM 608 N ASP A 43 16.733 8.129 -4.436 1.00 1.14 N ATOM 609 CA ASP A 43 16.226 7.685 -5.740 1.00 1.45 C ATOM 610 C ASP A 43 14.759 7.279 -5.661 1.00 1.55 C ATOM 611 O ASP A 43 14.099 7.142 -6.692 1.00 2.43 O ATOM 612 CB ASP A 43 17.037 6.511 -6.305 1.00 1.74 C ATOM 613 CG ASP A 43 17.035 5.292 -5.409 1.00 2.68 C ATOM 614 OD1 ASP A 43 16.019 4.571 -5.334 1.00 3.80 O ATOM 615 OD2 ASP A 43 18.120 5.004 -4.855 1.00 3.66 O ATOM 0 H ASP A 43 16.854 7.362 -3.775 1.00 1.14 H new ATOM 0 HA ASP A 43 16.330 8.539 -6.410 1.00 1.45 H new ATOM 0 HB2 ASP A 43 16.634 6.237 -7.280 1.00 1.74 H new ATOM 0 HB3 ASP A 43 18.066 6.833 -6.465 1.00 1.74 H new ATOM 620 N CYS A 44 14.253 7.058 -4.454 1.00 1.30 N ATOM 621 CA CYS A 44 12.854 6.796 -4.178 1.00 1.42 C ATOM 622 C CYS A 44 12.378 5.461 -4.729 1.00 2.07 C ATOM 623 O CYS A 44 11.200 5.276 -5.025 1.00 2.46 O ATOM 624 CB CYS A 44 11.998 7.933 -4.716 1.00 1.55 C ATOM 625 SG CYS A 44 10.418 8.048 -3.890 1.00 1.99 S ATOM 0 H CYS A 44 14.830 7.057 -3.613 1.00 1.30 H new ATOM 0 HA CYS A 44 12.747 6.736 -3.095 1.00 1.42 H new ATOM 0 HB2 CYS A 44 12.535 8.874 -4.600 1.00 1.55 H new ATOM 0 HB3 CYS A 44 11.836 7.788 -5.784 1.00 1.55 H new ATOM 630 N ASN A 45 13.290 4.499 -4.857 1.00 2.89 N ATOM 631 CA ASN A 45 12.977 3.125 -5.201 1.00 4.15 C ATOM 632 C ASN A 45 12.359 3.086 -6.592 1.00 2.70 C ATOM 633 O ASN A 45 13.075 2.956 -7.580 1.00 2.83 O ATOM 634 CB ASN A 45 12.085 2.393 -4.166 1.00 5.92 C ATOM 635 CG ASN A 45 12.367 2.712 -2.702 1.00 7.95 C ATOM 636 OD1 ASN A 45 12.329 3.862 -2.281 1.00 8.49 O ATOM 637 ND2 ASN A 45 12.613 1.701 -1.885 1.00 9.50 N ATOM 0 H ASN A 45 14.287 4.663 -4.720 1.00 2.89 H new ATOM 0 HA ASN A 45 13.917 2.573 -5.190 1.00 4.15 H new ATOM 0 HB2 ASN A 45 11.043 2.635 -4.377 1.00 5.92 H new ATOM 0 HB3 ASN A 45 12.198 1.319 -4.312 1.00 5.92 H new ATOM 0 HD21 ASN A 45 12.774 1.875 -0.893 1.00 9.50 H new ATOM 0 HD22 ASN A 45 12.642 0.748 -2.247 1.00 9.50 H new ATOM 644 N LEU A 46 11.031 3.171 -6.673 1.00 2.64 N ATOM 645 CA LEU A 46 10.216 2.839 -7.826 1.00 1.58 C ATOM 646 C LEU A 46 10.827 1.684 -8.621 1.00 1.52 C ATOM 647 O LEU A 46 11.046 1.812 -9.822 1.00 1.91 O ATOM 648 CB LEU A 46 9.899 4.098 -8.642 1.00 1.93 C ATOM 649 CG LEU A 46 8.870 4.979 -7.908 1.00 1.80 C ATOM 650 CD1 LEU A 46 8.791 6.339 -8.588 1.00 2.82 C ATOM 651 CD2 LEU A 46 7.456 4.387 -7.947 1.00 1.20 C ATOM 0 H LEU A 46 10.469 3.493 -5.885 1.00 2.64 H new ATOM 0 HA LEU A 46 9.248 2.461 -7.496 1.00 1.58 H new ATOM 0 HB2 LEU A 46 10.814 4.665 -8.814 1.00 1.93 H new ATOM 0 HB3 LEU A 46 9.511 3.815 -9.620 1.00 1.93 H new ATOM 0 HG LEU A 46 9.204 5.050 -6.873 1.00 1.80 H new ATOM 0 HD11 LEU A 46 8.063 6.963 -8.070 1.00 2.82 H new ATOM 0 HD12 LEU A 46 9.769 6.819 -8.556 1.00 2.82 H new ATOM 0 HD13 LEU A 46 8.484 6.210 -9.626 1.00 2.82 H new ATOM 0 HD21 LEU A 46 6.770 5.047 -7.415 1.00 1.20 H new ATOM 0 HD22 LEU A 46 7.132 4.286 -8.983 1.00 1.20 H new ATOM 0 HD23 LEU A 46 7.459 3.407 -7.470 1.00 1.20 H new ATOM 718 N ALA A 51 6.690 -9.751 -8.130 1.00 2.43 N ATOM 719 CA ALA A 51 5.297 -10.037 -7.828 1.00 2.18 C ATOM 720 C ALA A 51 5.100 -9.968 -6.318 1.00 1.65 C ATOM 721 O ALA A 51 5.912 -10.501 -5.567 1.00 2.17 O ATOM 722 CB ALA A 51 4.911 -11.415 -8.364 1.00 3.04 C ATOM 0 HA ALA A 51 4.654 -9.301 -8.310 1.00 2.18 H new ATOM 0 HB1 ALA A 51 3.865 -11.616 -8.131 1.00 3.04 H new ATOM 0 HB2 ALA A 51 5.053 -11.438 -9.444 1.00 3.04 H new ATOM 0 HB3 ALA A 51 5.539 -12.175 -7.899 1.00 3.04 H new ATOM 728 N GLY A 52 4.042 -9.296 -5.870 1.00 1.71 N ATOM 729 CA GLY A 52 3.719 -9.031 -4.480 1.00 1.17 C ATOM 730 C GLY A 52 3.557 -7.527 -4.312 1.00 1.28 C ATOM 731 O GLY A 52 2.461 -7.048 -4.046 1.00 2.36 O ATOM 0 H GLY A 52 3.351 -8.902 -6.508 1.00 1.71 H new ATOM 0 HA2 GLY A 52 2.801 -9.547 -4.197 1.00 1.17 H new ATOM 0 HA3 GLY A 52 4.508 -9.404 -3.828 1.00 1.17 H new ATOM 735 N GLU A 53 4.613 -6.766 -4.570 1.00 0.86 N ATOM 736 CA GLU A 53 4.695 -5.368 -4.172 1.00 0.82 C ATOM 737 C GLU A 53 3.994 -4.449 -5.176 1.00 0.80 C ATOM 738 O GLU A 53 3.791 -4.812 -6.336 1.00 1.01 O ATOM 739 CB GLU A 53 6.182 -4.992 -4.056 1.00 0.98 C ATOM 740 CG GLU A 53 6.520 -3.966 -2.969 1.00 1.10 C ATOM 741 CD GLU A 53 8.017 -3.797 -2.841 1.00 1.91 C ATOM 742 OE1 GLU A 53 8.653 -3.576 -3.892 1.00 2.93 O ATOM 743 OE2 GLU A 53 8.532 -3.961 -1.715 1.00 2.67 O ATOM 0 H GLU A 53 5.440 -7.103 -5.063 1.00 0.86 H new ATOM 0 HA GLU A 53 4.188 -5.239 -3.216 1.00 0.82 H new ATOM 0 HB2 GLU A 53 6.755 -5.900 -3.865 1.00 0.98 H new ATOM 0 HB3 GLU A 53 6.516 -4.601 -5.017 1.00 0.98 H new ATOM 0 HG2 GLU A 53 6.060 -3.008 -3.211 1.00 1.10 H new ATOM 0 HG3 GLU A 53 6.102 -4.288 -2.015 1.00 1.10 H new ATOM 750 N ASN A 54 3.640 -3.244 -4.740 1.00 0.71 N ATOM 751 CA ASN A 54 3.319 -2.101 -5.586 1.00 0.80 C ATOM 752 C ASN A 54 3.882 -0.860 -4.902 1.00 0.76 C ATOM 753 O ASN A 54 4.201 -0.907 -3.716 1.00 1.09 O ATOM 754 CB ASN A 54 1.820 -1.949 -5.860 1.00 1.04 C ATOM 755 CG ASN A 54 1.016 -1.552 -4.634 1.00 1.29 C ATOM 756 OD1 ASN A 54 1.199 -0.473 -4.092 1.00 2.64 O ATOM 757 ND2 ASN A 54 0.080 -2.398 -4.231 1.00 1.61 N ATOM 0 H ASN A 54 3.566 -3.029 -3.746 1.00 0.71 H new ATOM 0 HA ASN A 54 3.769 -2.250 -6.568 1.00 0.80 H new ATOM 0 HB2 ASN A 54 1.675 -1.199 -6.638 1.00 1.04 H new ATOM 0 HB3 ASN A 54 1.433 -2.891 -6.249 1.00 1.04 H new ATOM 0 HD21 ASN A 54 -0.519 -2.157 -3.441 1.00 1.61 H new ATOM 0 HD22 ASN A 54 -0.042 -3.290 -4.710 1.00 1.61 H new ATOM 764 N LEU A 55 4.043 0.233 -5.646 1.00 0.50 N ATOM 765 CA LEU A 55 4.657 1.454 -5.151 1.00 0.49 C ATOM 766 C LEU A 55 3.889 2.644 -5.727 1.00 0.53 C ATOM 767 O LEU A 55 3.176 2.487 -6.725 1.00 0.61 O ATOM 768 CB LEU A 55 6.121 1.537 -5.615 1.00 0.64 C ATOM 769 CG LEU A 55 6.964 0.247 -5.494 1.00 0.68 C ATOM 770 CD1 LEU A 55 8.218 0.362 -6.361 1.00 0.82 C ATOM 771 CD2 LEU A 55 7.411 -0.069 -4.064 1.00 0.80 C ATOM 0 H LEU A 55 3.746 0.292 -6.620 1.00 0.50 H new ATOM 0 HA LEU A 55 4.628 1.462 -4.061 1.00 0.49 H new ATOM 0 HB2 LEU A 55 6.129 1.852 -6.659 1.00 0.64 H new ATOM 0 HB3 LEU A 55 6.615 2.321 -5.041 1.00 0.64 H new ATOM 0 HG LEU A 55 6.313 -0.561 -5.826 1.00 0.68 H new ATOM 0 HD11 LEU A 55 8.807 -0.550 -6.271 1.00 0.82 H new ATOM 0 HD12 LEU A 55 7.929 0.506 -7.402 1.00 0.82 H new ATOM 0 HD13 LEU A 55 8.813 1.213 -6.029 1.00 0.82 H new ATOM 0 HD21 LEU A 55 7.997 -0.988 -4.061 1.00 0.80 H new ATOM 0 HD22 LEU A 55 8.020 0.751 -3.683 1.00 0.80 H new ATOM 0 HD23 LEU A 55 6.535 -0.196 -3.428 1.00 0.80 H new ATOM 783 N ALA A 56 4.068 3.832 -5.149 1.00 0.53 N ATOM 784 CA ALA A 56 3.436 5.066 -5.595 1.00 0.49 C ATOM 785 C ALA A 56 4.294 6.257 -5.177 1.00 0.44 C ATOM 786 O ALA A 56 4.663 6.327 -4.008 1.00 0.56 O ATOM 787 CB ALA A 56 2.068 5.179 -4.927 1.00 0.57 C ATOM 0 H ALA A 56 4.672 3.962 -4.338 1.00 0.53 H new ATOM 0 HA ALA A 56 3.329 5.058 -6.680 1.00 0.49 H new ATOM 0 HB1 ALA A 56 1.580 6.099 -5.250 1.00 0.57 H new ATOM 0 HB2 ALA A 56 1.454 4.324 -5.209 1.00 0.57 H new ATOM 0 HB3 ALA A 56 2.192 5.195 -3.844 1.00 0.57 H new ATOM 793 N LYS A 57 4.587 7.180 -6.099 1.00 0.66 N ATOM 794 CA LYS A 57 5.086 8.510 -5.755 1.00 0.59 C ATOM 795 C LYS A 57 3.925 9.501 -5.838 1.00 0.75 C ATOM 796 O LYS A 57 2.925 9.196 -6.486 1.00 1.11 O ATOM 797 CB LYS A 57 6.263 8.930 -6.656 1.00 0.84 C ATOM 798 CG LYS A 57 5.979 9.003 -8.170 1.00 1.26 C ATOM 799 CD LYS A 57 7.097 9.811 -8.857 1.00 1.87 C ATOM 800 CE LYS A 57 6.857 10.096 -10.352 1.00 2.20 C ATOM 801 NZ LYS A 57 7.424 9.072 -11.258 1.00 3.29 N ATOM 0 H LYS A 57 4.484 7.024 -7.102 1.00 0.66 H new ATOM 0 HA LYS A 57 5.478 8.497 -4.738 1.00 0.59 H new ATOM 0 HB2 LYS A 57 6.612 9.909 -6.327 1.00 0.84 H new ATOM 0 HB3 LYS A 57 7.082 8.229 -6.496 1.00 0.84 H new ATOM 0 HG2 LYS A 57 5.928 7.999 -8.591 1.00 1.26 H new ATOM 0 HG3 LYS A 57 5.012 9.473 -8.348 1.00 1.26 H new ATOM 0 HD2 LYS A 57 7.215 10.760 -8.334 1.00 1.87 H new ATOM 0 HD3 LYS A 57 8.037 9.269 -8.750 1.00 1.87 H new ATOM 0 HE2 LYS A 57 5.784 10.170 -10.530 1.00 2.20 H new ATOM 0 HE3 LYS A 57 7.289 11.066 -10.601 1.00 2.20 H new ATOM 0 HZ1 LYS A 57 7.223 9.332 -12.245 1.00 3.29 H new ATOM 0 HZ2 LYS A 57 8.453 9.016 -11.118 1.00 3.29 H new ATOM 0 HZ3 LYS A 57 6.995 8.148 -11.049 1.00 3.29 H new ATOM 815 N GLY A 58 4.075 10.672 -5.228 1.00 0.72 N ATOM 816 CA GLY A 58 3.081 11.730 -5.205 1.00 1.02 C ATOM 817 C GLY A 58 3.766 13.090 -5.135 1.00 0.84 C ATOM 818 O GLY A 58 4.551 13.414 -6.023 1.00 1.85 O ATOM 0 H GLY A 58 4.924 10.916 -4.719 1.00 0.72 H new ATOM 0 HA2 GLY A 58 2.458 11.674 -6.097 1.00 1.02 H new ATOM 0 HA3 GLY A 58 2.421 11.602 -4.347 1.00 1.02 H new ATOM 822 N GLY A 59 3.493 13.875 -4.087 1.00 1.24 N ATOM 823 CA GLY A 59 4.040 15.216 -3.882 1.00 1.20 C ATOM 824 C GLY A 59 2.957 16.219 -3.522 1.00 1.34 C ATOM 825 O GLY A 59 3.161 17.052 -2.638 1.00 2.37 O ATOM 0 H GLY A 59 2.866 13.584 -3.337 1.00 1.24 H new ATOM 0 HA2 GLY A 59 4.786 15.187 -3.088 1.00 1.20 H new ATOM 0 HA3 GLY A 59 4.551 15.542 -4.788 1.00 1.20 H new ATOM 829 N GLY A 60 1.794 16.100 -4.156 1.00 2.11 N ATOM 830 CA GLY A 60 0.606 16.822 -3.743 1.00 2.88 C ATOM 831 C GLY A 60 0.126 16.287 -2.391 1.00 2.53 C ATOM 832 O GLY A 60 0.906 15.720 -1.624 1.00 2.25 O ATOM 0 H GLY A 60 1.654 15.500 -4.969 1.00 2.11 H new ATOM 0 HA2 GLY A 60 0.823 17.888 -3.668 1.00 2.88 H new ATOM 0 HA3 GLY A 60 -0.179 16.709 -4.490 1.00 2.88 H new ATOM 836 N ASP A 61 -1.170 16.409 -2.111 1.00 3.19 N ATOM 837 CA ASP A 61 -1.808 15.865 -0.912 1.00 3.10 C ATOM 838 C ASP A 61 -2.001 14.342 -1.023 1.00 2.51 C ATOM 839 O ASP A 61 -3.066 13.786 -0.739 1.00 2.65 O ATOM 840 CB ASP A 61 -3.105 16.634 -0.618 1.00 3.75 C ATOM 841 CG ASP A 61 -4.153 16.570 -1.711 1.00 4.04 C ATOM 842 OD1 ASP A 61 -5.015 15.673 -1.699 1.00 4.59 O ATOM 843 OD2 ASP A 61 -4.213 17.513 -2.528 1.00 4.53 O ATOM 0 H ASP A 61 -1.821 16.899 -2.724 1.00 3.19 H new ATOM 0 HA ASP A 61 -1.153 16.009 -0.053 1.00 3.10 H new ATOM 0 HB2 ASP A 61 -3.539 16.245 0.303 1.00 3.75 H new ATOM 0 HB3 ASP A 61 -2.856 17.679 -0.436 1.00 3.75 H new ATOM 848 N PHE A 62 -0.940 13.661 -1.450 1.00 1.97 N ATOM 849 CA PHE A 62 -0.945 12.273 -1.852 1.00 1.44 C ATOM 850 C PHE A 62 -0.808 11.368 -0.630 1.00 1.03 C ATOM 851 O PHE A 62 0.263 10.844 -0.328 1.00 1.37 O ATOM 852 CB PHE A 62 0.170 12.052 -2.874 1.00 1.30 C ATOM 853 CG PHE A 62 0.021 10.758 -3.640 1.00 1.09 C ATOM 854 CD1 PHE A 62 -0.895 10.678 -4.704 1.00 2.53 C ATOM 855 CD2 PHE A 62 0.782 9.633 -3.280 1.00 2.06 C ATOM 856 CE1 PHE A 62 -1.022 9.485 -5.433 1.00 2.35 C ATOM 857 CE2 PHE A 62 0.671 8.449 -4.023 1.00 2.35 C ATOM 858 CZ PHE A 62 -0.224 8.377 -5.105 1.00 1.26 C ATOM 0 H PHE A 62 -0.017 14.088 -1.525 1.00 1.97 H new ATOM 0 HA PHE A 62 -1.893 12.016 -2.324 1.00 1.44 H new ATOM 0 HB2 PHE A 62 0.181 12.885 -3.577 1.00 1.30 H new ATOM 0 HB3 PHE A 62 1.132 12.055 -2.361 1.00 1.30 H new ATOM 0 HD1 PHE A 62 -1.501 11.534 -4.960 1.00 2.53 H new ATOM 0 HD2 PHE A 62 1.451 9.680 -2.433 1.00 2.06 H new ATOM 0 HE1 PHE A 62 -1.732 9.419 -6.244 1.00 2.35 H new ATOM 0 HE2 PHE A 62 1.274 7.591 -3.764 1.00 2.35 H new ATOM 0 HZ PHE A 62 -0.298 7.469 -5.684 1.00 1.26 H new ATOM 868 N THR A 63 -1.926 11.163 0.054 1.00 0.91 N ATOM 869 CA THR A 63 -1.979 10.312 1.225 1.00 0.63 C ATOM 870 C THR A 63 -1.891 8.843 0.802 1.00 0.77 C ATOM 871 O THR A 63 -2.112 8.491 -0.355 1.00 1.57 O ATOM 872 CB THR A 63 -3.291 10.606 1.966 1.00 0.66 C ATOM 873 OG1 THR A 63 -4.419 10.519 1.104 1.00 0.95 O ATOM 874 CG2 THR A 63 -3.234 12.008 2.578 1.00 0.96 C ATOM 0 H THR A 63 -2.821 11.585 -0.192 1.00 0.91 H new ATOM 0 HA THR A 63 -1.139 10.511 1.890 1.00 0.63 H new ATOM 0 HB THR A 63 -3.403 9.854 2.747 1.00 0.66 H new ATOM 0 HG1 THR A 63 -5.117 11.132 1.416 1.00 0.95 H new ATOM 0 HG21 THR A 63 -4.167 12.214 3.103 1.00 0.96 H new ATOM 0 HG22 THR A 63 -2.402 12.065 3.280 1.00 0.96 H new ATOM 0 HG23 THR A 63 -3.093 12.745 1.787 1.00 0.96 H new ATOM 882 N GLY A 64 -1.599 7.952 1.746 1.00 0.49 N ATOM 883 CA GLY A 64 -1.540 6.531 1.449 1.00 0.46 C ATOM 884 C GLY A 64 -2.868 6.029 0.875 1.00 0.40 C ATOM 885 O GLY A 64 -2.877 5.246 -0.071 1.00 0.41 O ATOM 0 H GLY A 64 -1.401 8.191 2.718 1.00 0.49 H new ATOM 0 HA2 GLY A 64 -0.737 6.339 0.737 1.00 0.46 H new ATOM 0 HA3 GLY A 64 -1.301 5.977 2.357 1.00 0.46 H new ATOM 889 N ARG A 65 -3.991 6.507 1.414 1.00 0.39 N ATOM 890 CA ARG A 65 -5.306 6.293 0.826 1.00 0.39 C ATOM 891 C ARG A 65 -5.277 6.658 -0.663 1.00 0.42 C ATOM 892 O ARG A 65 -5.632 5.832 -1.499 1.00 0.45 O ATOM 893 CB ARG A 65 -6.339 7.102 1.623 1.00 0.48 C ATOM 894 CG ARG A 65 -7.686 7.249 0.910 1.00 1.09 C ATOM 895 CD ARG A 65 -8.729 7.881 1.833 1.00 1.43 C ATOM 896 NE ARG A 65 -9.207 6.931 2.852 1.00 2.17 N ATOM 897 CZ ARG A 65 -10.374 6.269 2.862 1.00 2.45 C ATOM 898 NH1 ARG A 65 -11.274 6.457 1.899 1.00 2.67 N ATOM 899 NH2 ARG A 65 -10.628 5.420 3.853 1.00 3.85 N ATOM 0 H ARG A 65 -4.009 7.055 2.274 1.00 0.39 H new ATOM 0 HA ARG A 65 -5.593 5.243 0.881 1.00 0.39 H new ATOM 0 HB2 ARG A 65 -6.499 6.621 2.588 1.00 0.48 H new ATOM 0 HB3 ARG A 65 -5.934 8.094 1.825 1.00 0.48 H new ATOM 0 HG2 ARG A 65 -7.564 7.864 0.018 1.00 1.09 H new ATOM 0 HG3 ARG A 65 -8.034 6.271 0.578 1.00 1.09 H new ATOM 0 HD2 ARG A 65 -8.298 8.754 2.324 1.00 1.43 H new ATOM 0 HD3 ARG A 65 -9.573 8.233 1.240 1.00 1.43 H new ATOM 0 HE ARG A 65 -8.581 6.757 3.638 1.00 2.17 H new ATOM 0 HH11 ARG A 65 -11.080 7.111 1.141 1.00 2.67 H new ATOM 0 HH12 ARG A 65 -12.157 5.947 1.919 1.00 2.67 H new ATOM 0 HH21 ARG A 65 -9.940 5.279 4.593 1.00 3.85 H new ATOM 0 HH22 ARG A 65 -11.511 4.910 3.874 1.00 3.85 H new ATOM 913 N ALA A 66 -4.835 7.872 -0.999 1.00 0.44 N ATOM 914 CA ALA A 66 -4.735 8.317 -2.388 1.00 0.51 C ATOM 915 C ALA A 66 -3.843 7.373 -3.203 1.00 0.50 C ATOM 916 O ALA A 66 -4.105 7.128 -4.375 1.00 0.56 O ATOM 917 CB ALA A 66 -4.214 9.755 -2.462 1.00 0.60 C ATOM 0 H ALA A 66 -4.538 8.571 -0.318 1.00 0.44 H new ATOM 0 HA ALA A 66 -5.735 8.295 -2.822 1.00 0.51 H new ATOM 0 HB1 ALA A 66 -4.148 10.065 -3.505 1.00 0.60 H new ATOM 0 HB2 ALA A 66 -4.897 10.417 -1.929 1.00 0.60 H new ATOM 0 HB3 ALA A 66 -3.226 9.808 -2.004 1.00 0.60 H new ATOM 923 N ALA A 67 -2.801 6.805 -2.599 1.00 0.47 N ATOM 924 CA ALA A 67 -2.003 5.794 -3.275 1.00 0.49 C ATOM 925 C ALA A 67 -2.869 4.590 -3.653 1.00 0.40 C ATOM 926 O ALA A 67 -2.894 4.191 -4.815 1.00 0.45 O ATOM 927 CB ALA A 67 -0.793 5.402 -2.424 1.00 0.55 C ATOM 0 H ALA A 67 -2.495 7.027 -1.652 1.00 0.47 H new ATOM 0 HA ALA A 67 -1.614 6.211 -4.204 1.00 0.49 H new ATOM 0 HB1 ALA A 67 -0.210 4.645 -2.948 1.00 0.55 H new ATOM 0 HB2 ALA A 67 -0.172 6.280 -2.248 1.00 0.55 H new ATOM 0 HB3 ALA A 67 -1.134 5.001 -1.469 1.00 0.55 H new ATOM 933 N VAL A 68 -3.610 4.012 -2.706 1.00 0.32 N ATOM 934 CA VAL A 68 -4.526 2.928 -3.062 1.00 0.31 C ATOM 935 C VAL A 68 -5.505 3.376 -4.148 1.00 0.35 C ATOM 936 O VAL A 68 -5.733 2.657 -5.115 1.00 0.37 O ATOM 937 CB VAL A 68 -5.274 2.332 -1.861 1.00 0.36 C ATOM 938 CG1 VAL A 68 -5.837 0.961 -2.270 1.00 0.37 C ATOM 939 CG2 VAL A 68 -4.351 2.136 -0.664 1.00 0.45 C ATOM 0 H VAL A 68 -3.597 4.265 -1.718 1.00 0.32 H new ATOM 0 HA VAL A 68 -3.902 2.125 -3.454 1.00 0.31 H new ATOM 0 HB VAL A 68 -6.067 3.022 -1.574 1.00 0.36 H new ATOM 0 HG11 VAL A 68 -6.372 0.522 -1.428 1.00 0.37 H new ATOM 0 HG12 VAL A 68 -6.520 1.084 -3.110 1.00 0.37 H new ATOM 0 HG13 VAL A 68 -5.018 0.304 -2.562 1.00 0.37 H new ATOM 0 HG21 VAL A 68 -4.917 1.713 0.166 1.00 0.45 H new ATOM 0 HG22 VAL A 68 -3.542 1.458 -0.935 1.00 0.45 H new ATOM 0 HG23 VAL A 68 -3.933 3.097 -0.365 1.00 0.45 H new ATOM 949 N GLN A 69 -6.078 4.566 -4.010 1.00 0.42 N ATOM 950 CA GLN A 69 -6.943 5.140 -5.026 1.00 0.55 C ATOM 951 C GLN A 69 -6.249 5.141 -6.392 1.00 0.55 C ATOM 952 O GLN A 69 -6.850 4.737 -7.386 1.00 0.62 O ATOM 953 CB GLN A 69 -7.362 6.541 -4.583 1.00 0.77 C ATOM 954 CG GLN A 69 -8.327 6.487 -3.406 1.00 0.98 C ATOM 955 CD GLN A 69 -8.886 7.862 -3.079 1.00 2.25 C ATOM 956 OE1 GLN A 69 -8.545 8.466 -2.071 1.00 3.84 O ATOM 957 NE2 GLN A 69 -9.770 8.366 -3.927 1.00 2.53 N ATOM 0 H GLN A 69 -5.954 5.158 -3.189 1.00 0.42 H new ATOM 0 HA GLN A 69 -7.842 4.534 -5.140 1.00 0.55 H new ATOM 0 HB2 GLN A 69 -6.478 7.116 -4.305 1.00 0.77 H new ATOM 0 HB3 GLN A 69 -7.832 7.062 -5.417 1.00 0.77 H new ATOM 0 HG2 GLN A 69 -9.146 5.806 -3.637 1.00 0.98 H new ATOM 0 HG3 GLN A 69 -7.814 6.085 -2.532 1.00 0.98 H new ATOM 0 HE21 GLN A 69 -10.036 7.840 -4.760 1.00 2.53 H new ATOM 0 HE22 GLN A 69 -10.185 9.280 -3.747 1.00 2.53 H new ATOM 966 N LEU A 70 -4.970 5.522 -6.452 1.00 0.58 N ATOM 967 CA LEU A 70 -4.230 5.506 -7.698 1.00 0.68 C ATOM 968 C LEU A 70 -4.231 4.065 -8.208 1.00 0.61 C ATOM 969 O LEU A 70 -4.493 3.819 -9.382 1.00 0.67 O ATOM 970 CB LEU A 70 -2.822 6.099 -7.482 1.00 0.81 C ATOM 971 CG LEU A 70 -1.834 5.842 -8.629 1.00 1.01 C ATOM 972 CD1 LEU A 70 -2.299 6.554 -9.900 1.00 1.61 C ATOM 973 CD2 LEU A 70 -0.433 6.343 -8.264 1.00 2.17 C ATOM 0 H LEU A 70 -4.433 5.844 -5.647 1.00 0.58 H new ATOM 0 HA LEU A 70 -4.690 6.133 -8.462 1.00 0.68 H new ATOM 0 HB2 LEU A 70 -2.915 7.175 -7.335 1.00 0.81 H new ATOM 0 HB3 LEU A 70 -2.406 5.686 -6.563 1.00 0.81 H new ATOM 0 HG LEU A 70 -1.797 4.766 -8.802 1.00 1.01 H new ATOM 0 HD11 LEU A 70 -1.589 6.363 -10.705 1.00 1.61 H new ATOM 0 HD12 LEU A 70 -3.282 6.181 -10.187 1.00 1.61 H new ATOM 0 HD13 LEU A 70 -2.358 7.627 -9.715 1.00 1.61 H new ATOM 0 HD21 LEU A 70 0.249 6.150 -9.092 1.00 2.17 H new ATOM 0 HD22 LEU A 70 -0.470 7.414 -8.066 1.00 2.17 H new ATOM 0 HD23 LEU A 70 -0.081 5.822 -7.374 1.00 2.17 H new ATOM 985 N TRP A 71 -3.988 3.090 -7.337 1.00 0.54 N ATOM 986 CA TRP A 71 -3.981 1.680 -7.710 1.00 0.56 C ATOM 987 C TRP A 71 -5.350 1.210 -8.199 1.00 0.54 C ATOM 988 O TRP A 71 -5.414 0.346 -9.067 1.00 0.79 O ATOM 989 CB TRP A 71 -3.444 0.832 -6.551 1.00 0.57 C ATOM 990 CG TRP A 71 -2.145 1.311 -5.981 1.00 0.56 C ATOM 991 CD1 TRP A 71 -1.313 2.197 -6.572 1.00 0.62 C ATOM 992 CD2 TRP A 71 -1.625 1.119 -4.633 1.00 0.52 C ATOM 993 NE1 TRP A 71 -0.433 2.681 -5.640 1.00 0.56 N ATOM 994 CE2 TRP A 71 -0.558 2.039 -4.427 1.00 0.52 C ATOM 995 CE3 TRP A 71 -1.985 0.299 -3.545 1.00 0.57 C ATOM 996 CZ2 TRP A 71 0.080 2.174 -3.186 1.00 0.55 C ATOM 997 CZ3 TRP A 71 -1.333 0.409 -2.307 1.00 0.66 C ATOM 998 CH2 TRP A 71 -0.359 1.397 -2.110 1.00 0.70 C ATOM 0 H TRP A 71 -3.790 3.256 -6.350 1.00 0.54 H new ATOM 0 HA TRP A 71 -3.307 1.550 -8.557 1.00 0.56 H new ATOM 0 HB2 TRP A 71 -4.190 0.812 -5.756 1.00 0.57 H new ATOM 0 HB3 TRP A 71 -3.318 -0.194 -6.896 1.00 0.57 H new ATOM 0 HD1 TRP A 71 -1.338 2.479 -7.614 1.00 0.62 H new ATOM 0 HE1 TRP A 71 0.236 3.429 -5.823 1.00 0.56 H new ATOM 0 HE3 TRP A 71 -2.776 -0.426 -3.666 1.00 0.57 H new ATOM 0 HZ2 TRP A 71 0.898 2.868 -3.063 1.00 0.55 H new ATOM 0 HZ3 TRP A 71 -1.583 -0.269 -1.504 1.00 0.66 H new ATOM 0 HH2 TRP A 71 0.053 1.558 -1.125 1.00 0.70 H new ATOM 1009 N VAL A 72 -6.433 1.773 -7.670 1.00 0.43 N ATOM 1010 CA VAL A 72 -7.799 1.442 -8.056 1.00 0.45 C ATOM 1011 C VAL A 72 -8.262 2.250 -9.283 1.00 0.50 C ATOM 1012 O VAL A 72 -9.381 2.064 -9.768 1.00 0.61 O ATOM 1013 CB VAL A 72 -8.699 1.539 -6.808 1.00 0.47 C ATOM 1014 CG1 VAL A 72 -10.176 1.221 -7.059 1.00 0.50 C ATOM 1015 CG2 VAL A 72 -8.234 0.532 -5.747 1.00 0.49 C ATOM 0 H VAL A 72 -6.383 2.488 -6.945 1.00 0.43 H new ATOM 0 HA VAL A 72 -7.866 0.412 -8.407 1.00 0.45 H new ATOM 0 HB VAL A 72 -8.612 2.578 -6.492 1.00 0.47 H new ATOM 0 HG11 VAL A 72 -10.732 1.315 -6.126 1.00 0.50 H new ATOM 0 HG12 VAL A 72 -10.579 1.919 -7.793 1.00 0.50 H new ATOM 0 HG13 VAL A 72 -10.270 0.203 -7.437 1.00 0.50 H new ATOM 0 HG21 VAL A 72 -8.875 0.607 -4.869 1.00 0.49 H new ATOM 0 HG22 VAL A 72 -8.292 -0.478 -6.153 1.00 0.49 H new ATOM 0 HG23 VAL A 72 -7.204 0.751 -5.464 1.00 0.49 H new ATOM 1025 N SER A 73 -7.379 3.069 -9.863 1.00 0.69 N ATOM 1026 CA SER A 73 -7.578 3.651 -11.187 1.00 0.97 C ATOM 1027 C SER A 73 -7.953 2.605 -12.240 1.00 0.81 C ATOM 1028 O SER A 73 -8.657 2.930 -13.193 1.00 0.91 O ATOM 1029 CB SER A 73 -6.319 4.391 -11.643 1.00 1.66 C ATOM 1030 OG SER A 73 -6.109 5.528 -10.828 1.00 1.83 O ATOM 0 H SER A 73 -6.502 3.346 -9.422 1.00 0.69 H new ATOM 0 HA SER A 73 -8.411 4.348 -11.095 1.00 0.97 H new ATOM 0 HB2 SER A 73 -5.456 3.728 -11.587 1.00 1.66 H new ATOM 0 HB3 SER A 73 -6.421 4.693 -12.685 1.00 1.66 H new ATOM 0 HG SER A 73 -5.478 5.305 -10.112 1.00 1.83 H new ATOM 1036 N GLU A 74 -7.492 1.362 -12.103 1.00 0.83 N ATOM 1037 CA GLU A 74 -7.647 0.381 -13.167 1.00 0.88 C ATOM 1038 C GLU A 74 -9.071 -0.208 -13.241 1.00 0.80 C ATOM 1039 O GLU A 74 -9.268 -1.249 -13.870 1.00 0.98 O ATOM 1040 CB GLU A 74 -6.574 -0.713 -13.042 1.00 1.06 C ATOM 1041 CG GLU A 74 -5.200 -0.302 -12.468 1.00 1.57 C ATOM 1042 CD GLU A 74 -4.420 0.689 -13.311 1.00 2.11 C ATOM 1043 OE1 GLU A 74 -5.031 1.597 -13.908 1.00 3.06 O ATOM 1044 OE2 GLU A 74 -3.184 0.536 -13.389 1.00 2.75 O ATOM 0 H GLU A 74 -7.013 1.016 -11.272 1.00 0.83 H new ATOM 0 HA GLU A 74 -7.500 0.900 -14.114 1.00 0.88 H new ATOM 0 HB2 GLU A 74 -6.976 -1.509 -12.415 1.00 1.06 H new ATOM 0 HB3 GLU A 74 -6.411 -1.139 -14.032 1.00 1.06 H new ATOM 0 HG2 GLU A 74 -5.351 0.127 -11.478 1.00 1.57 H new ATOM 0 HG3 GLU A 74 -4.595 -1.199 -12.337 1.00 1.57 H new ATOM 1051 N ARG A 75 -10.061 0.428 -12.607 1.00 0.71 N ATOM 1052 CA ARG A 75 -11.460 0.014 -12.641 1.00 0.76 C ATOM 1053 C ARG A 75 -11.946 -0.338 -14.054 1.00 0.88 C ATOM 1054 O ARG A 75 -12.331 -1.483 -14.274 1.00 1.01 O ATOM 1055 CB ARG A 75 -12.348 1.014 -11.886 1.00 0.82 C ATOM 1056 CG ARG A 75 -13.770 0.466 -11.733 1.00 1.10 C ATOM 1057 CD ARG A 75 -14.642 1.391 -10.880 1.00 1.37 C ATOM 1058 NE ARG A 75 -15.158 2.527 -11.658 1.00 2.78 N ATOM 1059 CZ ARG A 75 -15.160 3.814 -11.286 1.00 3.66 C ATOM 1060 NH1 ARG A 75 -14.382 4.246 -10.295 1.00 3.79 N ATOM 1061 NH2 ARG A 75 -15.977 4.648 -11.926 1.00 5.16 N ATOM 0 H ARG A 75 -9.904 1.264 -12.044 1.00 0.71 H new ATOM 0 HA ARG A 75 -11.545 -0.928 -12.099 1.00 0.76 H new ATOM 0 HB2 ARG A 75 -11.923 1.216 -10.903 1.00 0.82 H new ATOM 0 HB3 ARG A 75 -12.374 1.962 -12.423 1.00 0.82 H new ATOM 0 HG2 ARG A 75 -14.222 0.345 -12.718 1.00 1.10 H new ATOM 0 HG3 ARG A 75 -13.732 -0.523 -11.276 1.00 1.10 H new ATOM 0 HD2 ARG A 75 -15.477 0.825 -10.467 1.00 1.37 H new ATOM 0 HD3 ARG A 75 -14.060 1.763 -10.036 1.00 1.37 H new ATOM 0 HE ARG A 75 -15.554 2.314 -12.573 1.00 2.78 H new ATOM 0 HH11 ARG A 75 -13.771 3.593 -9.805 1.00 3.79 H new ATOM 0 HH12 ARG A 75 -14.398 5.230 -10.026 1.00 3.79 H new ATOM 0 HH21 ARG A 75 -16.576 4.300 -12.675 1.00 5.16 H new ATOM 0 HH22 ARG A 75 -16.003 5.634 -11.668 1.00 5.16 H new ATOM 1075 N PRO A 76 -11.898 0.583 -15.029 1.00 0.97 N ATOM 1076 CA PRO A 76 -12.264 0.297 -16.410 1.00 1.18 C ATOM 1077 C PRO A 76 -11.622 -0.956 -17.023 1.00 1.20 C ATOM 1078 O PRO A 76 -12.145 -1.459 -18.020 1.00 1.59 O ATOM 1079 CB PRO A 76 -11.915 1.557 -17.213 1.00 1.49 C ATOM 1080 CG PRO A 76 -11.110 2.435 -16.257 1.00 1.22 C ATOM 1081 CD PRO A 76 -11.609 2.001 -14.888 1.00 1.01 C ATOM 0 HA PRO A 76 -13.327 0.058 -16.440 1.00 1.18 H new ATOM 0 HB2 PRO A 76 -11.335 1.309 -18.102 1.00 1.49 H new ATOM 0 HB3 PRO A 76 -12.815 2.069 -17.553 1.00 1.49 H new ATOM 0 HG2 PRO A 76 -10.038 2.272 -16.366 1.00 1.22 H new ATOM 0 HG3 PRO A 76 -11.291 3.495 -16.434 1.00 1.22 H new ATOM 0 HD2 PRO A 76 -10.857 2.177 -14.119 1.00 1.01 H new ATOM 0 HD3 PRO A 76 -12.499 2.559 -14.596 1.00 1.01 H new ATOM 1089 N SER A 77 -10.493 -1.454 -16.508 1.00 1.08 N ATOM 1090 CA SER A 77 -9.904 -2.688 -17.009 1.00 1.27 C ATOM 1091 C SER A 77 -10.254 -3.900 -16.145 1.00 1.25 C ATOM 1092 O SER A 77 -10.468 -4.987 -16.673 1.00 1.59 O ATOM 1093 CB SER A 77 -8.396 -2.543 -17.191 1.00 1.59 C ATOM 1094 OG SER A 77 -7.788 -1.861 -16.111 1.00 1.85 O ATOM 0 H SER A 77 -9.974 -1.018 -15.746 1.00 1.08 H new ATOM 0 HA SER A 77 -10.344 -2.874 -17.989 1.00 1.27 H new ATOM 0 HB2 SER A 77 -7.948 -3.531 -17.292 1.00 1.59 H new ATOM 0 HB3 SER A 77 -8.194 -2.005 -18.117 1.00 1.59 H new ATOM 0 HG SER A 77 -8.395 -1.861 -15.341 1.00 1.85 H new ATOM 1100 N TYR A 78 -10.316 -3.777 -14.821 1.00 1.10 N ATOM 1101 CA TYR A 78 -10.544 -4.970 -14.021 1.00 1.10 C ATOM 1102 C TYR A 78 -12.057 -5.190 -14.027 1.00 1.11 C ATOM 1103 O TYR A 78 -12.814 -4.260 -13.765 1.00 1.31 O ATOM 1104 CB TYR A 78 -9.941 -4.827 -12.611 1.00 1.25 C ATOM 1105 CG TYR A 78 -10.945 -4.505 -11.525 1.00 0.82 C ATOM 1106 CD1 TYR A 78 -11.864 -5.492 -11.123 1.00 1.76 C ATOM 1107 CD2 TYR A 78 -11.059 -3.202 -11.013 1.00 1.75 C ATOM 1108 CE1 TYR A 78 -13.039 -5.113 -10.462 1.00 1.91 C ATOM 1109 CE2 TYR A 78 -12.160 -2.863 -10.206 1.00 2.07 C ATOM 1110 CZ TYR A 78 -13.178 -3.804 -9.982 1.00 1.56 C ATOM 1111 OH TYR A 78 -14.239 -3.476 -9.196 1.00 2.23 O ATOM 0 H TYR A 78 -10.216 -2.905 -14.301 1.00 1.10 H new ATOM 0 HA TYR A 78 -10.042 -5.846 -14.432 1.00 1.10 H new ATOM 0 HB2 TYR A 78 -9.431 -5.755 -12.352 1.00 1.25 H new ATOM 0 HB3 TYR A 78 -9.184 -4.043 -12.632 1.00 1.25 H new ATOM 0 HD1 TYR A 78 -11.665 -6.534 -11.323 1.00 1.76 H new ATOM 0 HD2 TYR A 78 -10.304 -2.463 -11.238 1.00 1.75 H new ATOM 0 HE1 TYR A 78 -13.836 -5.828 -10.323 1.00 1.91 H new ATOM 0 HE2 TYR A 78 -12.222 -1.881 -9.760 1.00 2.07 H new ATOM 0 HH TYR A 78 -14.183 -2.529 -8.949 1.00 2.23 H new ATOM 1121 N ASN A 79 -12.512 -6.393 -14.365 1.00 1.08 N ATOM 1122 CA ASN A 79 -13.937 -6.662 -14.511 1.00 1.17 C ATOM 1123 C ASN A 79 -14.167 -8.148 -14.302 1.00 1.14 C ATOM 1124 O ASN A 79 -13.485 -8.934 -14.959 1.00 1.73 O ATOM 1125 CB ASN A 79 -14.364 -6.276 -15.929 1.00 1.35 C ATOM 1126 CG ASN A 79 -15.880 -6.237 -16.044 1.00 1.74 C ATOM 1127 OD1 ASN A 79 -16.515 -7.260 -16.272 1.00 1.63 O ATOM 1128 ND2 ASN A 79 -16.480 -5.069 -15.860 1.00 2.95 N ATOM 0 H ASN A 79 -11.912 -7.198 -14.543 1.00 1.08 H new ATOM 0 HA ASN A 79 -14.514 -6.090 -13.784 1.00 1.17 H new ATOM 0 HB2 ASN A 79 -13.950 -5.301 -16.186 1.00 1.35 H new ATOM 0 HB3 ASN A 79 -13.959 -6.992 -16.644 1.00 1.35 H new ATOM 0 HD21 ASN A 79 -17.497 -5.005 -15.907 1.00 2.95 H new ATOM 0 HD22 ASN A 79 -15.925 -4.234 -15.672 1.00 2.95 H new ATOM 1135 N TYR A 80 -15.061 -8.562 -13.401 1.00 1.33 N ATOM 1136 CA TYR A 80 -15.469 -9.950 -13.317 1.00 1.33 C ATOM 1137 C TYR A 80 -16.356 -10.209 -14.527 1.00 1.73 C ATOM 1138 O TYR A 80 -17.488 -9.740 -14.623 1.00 3.29 O ATOM 1139 CB TYR A 80 -16.216 -10.291 -12.022 1.00 1.42 C ATOM 1140 CG TYR A 80 -15.728 -11.524 -11.278 1.00 1.24 C ATOM 1141 CD1 TYR A 80 -15.899 -12.810 -11.827 1.00 2.50 C ATOM 1142 CD2 TYR A 80 -15.229 -11.393 -9.971 1.00 1.77 C ATOM 1143 CE1 TYR A 80 -15.519 -13.948 -11.089 1.00 2.63 C ATOM 1144 CE2 TYR A 80 -14.871 -12.529 -9.228 1.00 1.73 C ATOM 1145 CZ TYR A 80 -14.989 -13.807 -9.795 1.00 1.46 C ATOM 1146 OH TYR A 80 -14.495 -14.895 -9.131 1.00 1.79 O ATOM 0 H TYR A 80 -15.512 -7.948 -12.722 1.00 1.33 H new ATOM 0 HA TYR A 80 -14.583 -10.585 -13.308 1.00 1.33 H new ATOM 0 HB2 TYR A 80 -16.149 -9.435 -11.351 1.00 1.42 H new ATOM 0 HB3 TYR A 80 -17.271 -10.428 -12.259 1.00 1.42 H new ATOM 0 HD1 TYR A 80 -16.322 -12.923 -12.814 1.00 2.50 H new ATOM 0 HD2 TYR A 80 -15.120 -10.411 -9.535 1.00 1.77 H new ATOM 0 HE1 TYR A 80 -15.635 -14.932 -11.519 1.00 2.63 H new ATOM 0 HE2 TYR A 80 -14.504 -12.419 -8.218 1.00 1.73 H new ATOM 0 HH TYR A 80 -13.789 -14.609 -8.514 1.00 1.79 H new ATOM 1156 N ALA A 81 -15.794 -10.980 -15.427 1.00 1.55 N ATOM 1157 CA ALA A 81 -16.477 -11.681 -16.489 1.00 1.81 C ATOM 1158 C ALA A 81 -15.763 -13.020 -16.603 1.00 1.92 C ATOM 1159 O ALA A 81 -16.004 -13.922 -15.809 1.00 2.38 O ATOM 1160 CB ALA A 81 -16.463 -10.843 -17.774 1.00 2.10 C ATOM 0 H ALA A 81 -14.787 -11.145 -15.438 1.00 1.55 H new ATOM 0 HA ALA A 81 -17.536 -11.850 -16.292 1.00 1.81 H new ATOM 0 HB1 ALA A 81 -16.981 -11.383 -18.566 1.00 2.10 H new ATOM 0 HB2 ALA A 81 -16.966 -9.893 -17.594 1.00 2.10 H new ATOM 0 HB3 ALA A 81 -15.432 -10.657 -18.076 1.00 2.10 H new ATOM 1166 N THR A 82 -14.795 -13.127 -17.504 1.00 2.01 N ATOM 1167 CA THR A 82 -14.098 -14.358 -17.824 1.00 2.41 C ATOM 1168 C THR A 82 -12.712 -14.336 -17.180 1.00 2.09 C ATOM 1169 O THR A 82 -11.720 -14.751 -17.767 1.00 2.28 O ATOM 1170 CB THR A 82 -14.108 -14.483 -19.351 1.00 3.23 C ATOM 1171 OG1 THR A 82 -13.802 -13.226 -19.936 1.00 3.48 O ATOM 1172 CG2 THR A 82 -15.535 -14.843 -19.777 1.00 3.87 C ATOM 0 H THR A 82 -14.465 -12.330 -18.048 1.00 2.01 H new ATOM 0 HA THR A 82 -14.577 -15.250 -17.419 1.00 2.41 H new ATOM 0 HB THR A 82 -13.382 -15.233 -19.665 1.00 3.23 H new ATOM 0 HG1 THR A 82 -13.807 -13.310 -20.912 1.00 3.48 H new ATOM 0 HG21 THR A 82 -15.577 -14.940 -20.862 1.00 3.87 H new ATOM 0 HG22 THR A 82 -15.825 -15.788 -19.317 1.00 3.87 H new ATOM 0 HG23 THR A 82 -16.220 -14.058 -19.456 1.00 3.87 H new ATOM 1180 N ASN A 83 -12.683 -13.846 -15.941 1.00 1.84 N ATOM 1181 CA ASN A 83 -11.532 -13.854 -15.044 1.00 1.68 C ATOM 1182 C ASN A 83 -10.307 -13.209 -15.692 1.00 1.67 C ATOM 1183 O ASN A 83 -9.296 -13.863 -15.932 1.00 2.04 O ATOM 1184 CB ASN A 83 -11.257 -15.265 -14.502 1.00 1.78 C ATOM 1185 CG ASN A 83 -10.505 -15.189 -13.174 1.00 1.66 C ATOM 1186 OD1 ASN A 83 -9.281 -15.156 -13.127 1.00 2.15 O ATOM 1187 ND2 ASN A 83 -11.248 -15.160 -12.072 1.00 1.68 N ATOM 0 H ASN A 83 -13.503 -13.412 -15.517 1.00 1.84 H new ATOM 0 HA ASN A 83 -11.774 -13.235 -14.180 1.00 1.68 H new ATOM 0 HB2 ASN A 83 -12.198 -15.798 -14.364 1.00 1.78 H new ATOM 0 HB3 ASN A 83 -10.672 -15.832 -15.226 1.00 1.78 H new ATOM 0 HD21 ASN A 83 -10.801 -15.109 -11.157 1.00 1.68 H new ATOM 0 HD22 ASN A 83 -12.265 -15.189 -12.142 1.00 1.68 H new ATOM 1194 N GLN A 84 -10.400 -11.913 -15.999 1.00 1.47 N ATOM 1195 CA GLN A 84 -9.368 -11.207 -16.742 1.00 1.60 C ATOM 1196 C GLN A 84 -9.325 -9.736 -16.327 1.00 1.37 C ATOM 1197 O GLN A 84 -10.000 -9.334 -15.376 1.00 1.74 O ATOM 1198 CB GLN A 84 -9.609 -11.396 -18.249 1.00 2.09 C ATOM 1199 CG GLN A 84 -10.990 -10.897 -18.697 1.00 2.98 C ATOM 1200 CD GLN A 84 -11.034 -10.741 -20.212 1.00 4.16 C ATOM 1201 OE1 GLN A 84 -10.467 -9.797 -20.749 1.00 4.69 O ATOM 1202 NE2 GLN A 84 -11.696 -11.645 -20.916 1.00 5.21 N ATOM 0 H GLN A 84 -11.194 -11.329 -15.737 1.00 1.47 H new ATOM 0 HA GLN A 84 -8.387 -11.621 -16.511 1.00 1.60 H new ATOM 0 HB2 GLN A 84 -8.837 -10.864 -18.805 1.00 2.09 H new ATOM 0 HB3 GLN A 84 -9.511 -12.453 -18.498 1.00 2.09 H new ATOM 0 HG2 GLN A 84 -11.759 -11.599 -18.375 1.00 2.98 H new ATOM 0 HG3 GLN A 84 -11.211 -9.942 -18.220 1.00 2.98 H new ATOM 0 HE21 GLN A 84 -12.159 -12.421 -20.443 1.00 5.21 H new ATOM 0 HE22 GLN A 84 -11.743 -11.566 -21.932 1.00 5.21 H new ATOM 1211 N CYS A 85 -8.529 -8.933 -17.035 1.00 1.44 N ATOM 1212 CA CYS A 85 -8.421 -7.491 -16.824 1.00 1.28 C ATOM 1213 C CYS A 85 -8.803 -6.747 -18.104 1.00 1.28 C ATOM 1214 O CYS A 85 -8.121 -5.820 -18.532 1.00 2.45 O ATOM 1215 CB CYS A 85 -7.023 -7.115 -16.349 1.00 1.49 C ATOM 1216 SG CYS A 85 -6.997 -5.508 -15.531 1.00 2.01 S ATOM 0 H CYS A 85 -7.930 -9.275 -17.786 1.00 1.44 H new ATOM 0 HA CYS A 85 -9.117 -7.194 -16.039 1.00 1.28 H new ATOM 0 HB2 CYS A 85 -6.656 -7.878 -15.662 1.00 1.49 H new ATOM 0 HB3 CYS A 85 -6.343 -7.099 -17.201 1.00 1.49 H new ATOM 1221 N VAL A 86 -9.900 -7.201 -18.720 1.00 1.59 N ATOM 1222 CA VAL A 86 -10.441 -6.737 -19.998 1.00 1.48 C ATOM 1223 C VAL A 86 -9.320 -6.804 -21.056 1.00 1.76 C ATOM 1224 O VAL A 86 -8.232 -7.334 -20.812 1.00 2.58 O ATOM 1225 CB VAL A 86 -11.095 -5.347 -19.760 1.00 1.27 C ATOM 1226 CG1 VAL A 86 -11.275 -4.359 -20.921 1.00 1.26 C ATOM 1227 CG2 VAL A 86 -12.438 -5.531 -19.041 1.00 1.33 C ATOM 0 H VAL A 86 -10.466 -7.946 -18.314 1.00 1.59 H new ATOM 0 HA VAL A 86 -11.236 -7.365 -20.399 1.00 1.48 H new ATOM 0 HB VAL A 86 -10.327 -4.849 -19.168 1.00 1.27 H new ATOM 0 HG11 VAL A 86 -11.749 -3.449 -20.554 1.00 1.26 H new ATOM 0 HG12 VAL A 86 -10.301 -4.116 -21.346 1.00 1.26 H new ATOM 0 HG13 VAL A 86 -11.903 -4.810 -21.689 1.00 1.26 H new ATOM 0 HG21 VAL A 86 -12.898 -4.557 -18.874 1.00 1.33 H new ATOM 0 HG22 VAL A 86 -13.099 -6.143 -19.655 1.00 1.33 H new ATOM 0 HG23 VAL A 86 -12.273 -6.024 -18.083 1.00 1.33 H new ATOM 1295 N CYS A 91 -2.746 -2.332 -16.271 1.00 1.42 N ATOM 1296 CA CYS A 91 -3.665 -2.519 -15.139 1.00 1.18 C ATOM 1297 C CYS A 91 -2.947 -3.142 -13.937 1.00 1.07 C ATOM 1298 O CYS A 91 -3.551 -3.696 -13.020 1.00 1.97 O ATOM 1299 CB CYS A 91 -4.909 -3.320 -15.553 1.00 1.38 C ATOM 1300 SG CYS A 91 -4.974 -5.093 -15.200 1.00 2.09 S ATOM 0 HA CYS A 91 -4.014 -1.535 -14.825 1.00 1.18 H new ATOM 0 HB2 CYS A 91 -5.772 -2.858 -15.073 1.00 1.38 H new ATOM 0 HB3 CYS A 91 -5.037 -3.194 -16.628 1.00 1.38 H new ATOM 1305 N ARG A 92 -1.619 -3.053 -13.926 1.00 0.98 N ATOM 1306 CA ARG A 92 -0.771 -3.745 -12.973 1.00 0.79 C ATOM 1307 C ARG A 92 -0.694 -2.971 -11.659 1.00 0.92 C ATOM 1308 O ARG A 92 0.390 -2.600 -11.218 1.00 1.73 O ATOM 1309 CB ARG A 92 0.613 -3.981 -13.611 1.00 0.92 C ATOM 1310 CG ARG A 92 0.714 -5.376 -14.230 1.00 1.36 C ATOM 1311 CD ARG A 92 0.687 -6.443 -13.121 1.00 1.07 C ATOM 1312 NE ARG A 92 1.670 -7.502 -13.388 1.00 1.58 N ATOM 1313 CZ ARG A 92 1.443 -8.618 -14.101 1.00 2.61 C ATOM 1314 NH1 ARG A 92 0.246 -8.836 -14.653 1.00 3.74 N ATOM 1315 NH2 ARG A 92 2.424 -9.505 -14.263 1.00 3.01 N ATOM 0 H ARG A 92 -1.097 -2.486 -14.594 1.00 0.98 H new ATOM 0 HA ARG A 92 -1.197 -4.718 -12.727 1.00 0.79 H new ATOM 0 HB2 ARG A 92 0.795 -3.228 -14.377 1.00 0.92 H new ATOM 0 HB3 ARG A 92 1.389 -3.860 -12.855 1.00 0.92 H new ATOM 0 HG2 ARG A 92 -0.112 -5.537 -14.922 1.00 1.36 H new ATOM 0 HG3 ARG A 92 1.635 -5.462 -14.807 1.00 1.36 H new ATOM 0 HD2 ARG A 92 0.900 -5.978 -12.158 1.00 1.07 H new ATOM 0 HD3 ARG A 92 -0.311 -6.876 -13.052 1.00 1.07 H new ATOM 0 HE ARG A 92 2.605 -7.379 -12.999 1.00 1.58 H new ATOM 0 HH11 ARG A 92 -0.502 -8.153 -14.534 1.00 3.74 H new ATOM 0 HH12 ARG A 92 0.080 -9.685 -15.193 1.00 3.74 H new ATOM 0 HH21 ARG A 92 3.340 -9.334 -13.847 1.00 3.01 H new ATOM 0 HH22 ARG A 92 2.259 -10.355 -14.803 1.00 3.01 H new ATOM 1329 N HIS A 93 -1.827 -2.752 -10.998 1.00 0.56 N ATOM 1330 CA HIS A 93 -1.862 -2.277 -9.623 1.00 0.54 C ATOM 1331 C HIS A 93 -3.118 -2.799 -8.936 1.00 0.47 C ATOM 1332 O HIS A 93 -2.987 -3.521 -7.948 1.00 0.45 O ATOM 1333 CB HIS A 93 -1.740 -0.748 -9.530 1.00 0.64 C ATOM 1334 CG HIS A 93 -0.340 -0.168 -9.485 1.00 0.80 C ATOM 1335 ND1 HIS A 93 0.822 -0.794 -9.113 1.00 1.27 N flip ATOM 1336 CD2 HIS A 93 -0.024 1.141 -9.789 1.00 0.88 C flip ATOM 1337 CE1 HIS A 93 1.835 0.132 -9.245 1.00 1.51 C flip ATOM 1338 NE2 HIS A 93 1.300 1.302 -9.634 1.00 1.26 N flip ATOM 0 H HIS A 93 -2.750 -2.901 -11.405 1.00 0.56 H new ATOM 0 HA HIS A 93 -0.991 -2.671 -9.099 1.00 0.54 H new ATOM 0 HB2 HIS A 93 -2.258 -0.315 -10.385 1.00 0.64 H new ATOM 0 HB3 HIS A 93 -2.271 -0.420 -8.636 1.00 0.64 H new ATOM 0 HD2 HIS A 93 -0.722 1.905 -10.098 1.00 0.88 H new ATOM 0 HE1 HIS A 93 2.884 -0.052 -9.066 1.00 1.51 H new ATOM 0 HE2 HIS A 93 1.815 2.169 -9.786 1.00 1.26 H new ATOM 1347 N TYR A 94 -4.308 -2.481 -9.459 1.00 0.51 N ATOM 1348 CA TYR A 94 -5.567 -2.969 -8.895 1.00 0.47 C ATOM 1349 C TYR A 94 -5.485 -4.462 -8.598 1.00 0.46 C ATOM 1350 O TYR A 94 -5.943 -4.915 -7.554 1.00 0.46 O ATOM 1351 CB TYR A 94 -6.751 -2.719 -9.837 1.00 0.49 C ATOM 1352 CG TYR A 94 -8.057 -3.287 -9.301 1.00 0.70 C ATOM 1353 CD1 TYR A 94 -8.850 -2.526 -8.424 1.00 2.02 C ATOM 1354 CD2 TYR A 94 -8.406 -4.626 -9.556 1.00 1.25 C ATOM 1355 CE1 TYR A 94 -10.002 -3.076 -7.840 1.00 2.33 C ATOM 1356 CE2 TYR A 94 -9.529 -5.192 -8.928 1.00 1.38 C ATOM 1357 CZ TYR A 94 -10.342 -4.413 -8.089 1.00 1.50 C ATOM 1358 OH TYR A 94 -11.492 -4.945 -7.588 1.00 1.91 O ATOM 0 H TYR A 94 -4.423 -1.883 -10.278 1.00 0.51 H new ATOM 0 HA TYR A 94 -5.730 -2.415 -7.971 1.00 0.47 H new ATOM 0 HB2 TYR A 94 -6.864 -1.647 -9.996 1.00 0.49 H new ATOM 0 HB3 TYR A 94 -6.537 -3.164 -10.809 1.00 0.49 H new ATOM 0 HD1 TYR A 94 -8.570 -1.508 -8.197 1.00 2.02 H new ATOM 0 HD2 TYR A 94 -7.811 -5.219 -10.234 1.00 1.25 H new ATOM 0 HE1 TYR A 94 -10.626 -2.470 -7.200 1.00 2.33 H new ATOM 0 HE2 TYR A 94 -9.768 -6.232 -9.092 1.00 1.38 H new ATOM 0 HH TYR A 94 -12.207 -4.865 -8.254 1.00 1.91 H new ATOM 1368 N THR A 95 -4.900 -5.225 -9.519 1.00 0.48 N ATOM 1369 CA THR A 95 -4.726 -6.651 -9.353 1.00 0.50 C ATOM 1370 C THR A 95 -4.167 -6.983 -7.965 1.00 0.52 C ATOM 1371 O THR A 95 -4.739 -7.846 -7.316 1.00 0.66 O ATOM 1372 CB THR A 95 -3.869 -7.185 -10.512 1.00 0.59 C ATOM 1373 OG1 THR A 95 -2.828 -6.273 -10.826 1.00 0.72 O ATOM 1374 CG2 THR A 95 -4.723 -7.344 -11.773 1.00 0.73 C ATOM 0 H THR A 95 -4.535 -4.863 -10.400 1.00 0.48 H new ATOM 0 HA THR A 95 -5.690 -7.158 -9.397 1.00 0.50 H new ATOM 0 HB THR A 95 -3.456 -8.144 -10.197 1.00 0.59 H new ATOM 0 HG1 THR A 95 -2.009 -6.536 -10.356 1.00 0.72 H new ATOM 0 HG21 THR A 95 -4.104 -7.723 -12.586 1.00 0.73 H new ATOM 0 HG22 THR A 95 -5.534 -8.045 -11.577 1.00 0.73 H new ATOM 0 HG23 THR A 95 -5.140 -6.377 -12.054 1.00 0.73 H new ATOM 1382 N GLN A 96 -3.126 -6.301 -7.469 1.00 0.52 N ATOM 1383 CA GLN A 96 -2.642 -6.565 -6.115 1.00 0.69 C ATOM 1384 C GLN A 96 -3.695 -6.156 -5.084 1.00 0.74 C ATOM 1385 O GLN A 96 -3.934 -6.879 -4.124 1.00 0.94 O ATOM 1386 CB GLN A 96 -1.281 -5.912 -5.828 1.00 0.89 C ATOM 1387 CG GLN A 96 -0.811 -6.183 -4.382 1.00 1.58 C ATOM 1388 CD GLN A 96 -0.772 -7.668 -3.997 1.00 1.64 C ATOM 1389 OE1 GLN A 96 -1.564 -8.155 -3.198 1.00 3.60 O ATOM 1390 NE2 GLN A 96 0.161 -8.422 -4.559 1.00 1.02 N ATOM 0 H GLN A 96 -2.615 -5.578 -7.975 1.00 0.52 H new ATOM 0 HA GLN A 96 -2.477 -7.639 -6.035 1.00 0.69 H new ATOM 0 HB2 GLN A 96 -0.539 -6.294 -6.529 1.00 0.89 H new ATOM 0 HB3 GLN A 96 -1.351 -4.837 -5.992 1.00 0.89 H new ATOM 0 HG2 GLN A 96 0.185 -5.760 -4.251 1.00 1.58 H new ATOM 0 HG3 GLN A 96 -1.473 -5.659 -3.693 1.00 1.58 H new ATOM 0 HE21 GLN A 96 0.817 -8.011 -5.223 1.00 1.02 H new ATOM 0 HE22 GLN A 96 0.223 -9.413 -4.328 1.00 1.02 H new ATOM 1399 N VAL A 97 -4.307 -4.988 -5.267 1.00 0.62 N ATOM 1400 CA VAL A 97 -5.273 -4.459 -4.313 1.00 0.66 C ATOM 1401 C VAL A 97 -6.386 -5.482 -4.068 1.00 0.77 C ATOM 1402 O VAL A 97 -6.838 -5.657 -2.937 1.00 0.98 O ATOM 1403 CB VAL A 97 -5.815 -3.103 -4.792 1.00 0.57 C ATOM 1404 CG1 VAL A 97 -6.785 -2.497 -3.778 1.00 0.60 C ATOM 1405 CG2 VAL A 97 -4.654 -2.123 -4.965 1.00 0.51 C ATOM 0 H VAL A 97 -4.147 -4.387 -6.076 1.00 0.62 H new ATOM 0 HA VAL A 97 -4.779 -4.283 -3.357 1.00 0.66 H new ATOM 0 HB VAL A 97 -6.337 -3.272 -5.734 1.00 0.57 H new ATOM 0 HG11 VAL A 97 -7.148 -1.539 -4.150 1.00 0.60 H new ATOM 0 HG12 VAL A 97 -7.628 -3.173 -3.632 1.00 0.60 H new ATOM 0 HG13 VAL A 97 -6.272 -2.347 -2.828 1.00 0.60 H new ATOM 0 HG21 VAL A 97 -5.038 -1.161 -5.305 1.00 0.51 H new ATOM 0 HG22 VAL A 97 -4.142 -1.993 -4.011 1.00 0.51 H new ATOM 0 HG23 VAL A 97 -3.954 -2.515 -5.702 1.00 0.51 H new ATOM 1415 N VAL A 98 -6.783 -6.182 -5.128 1.00 0.63 N ATOM 1416 CA VAL A 98 -7.775 -7.234 -5.081 1.00 0.60 C ATOM 1417 C VAL A 98 -7.220 -8.589 -4.674 1.00 0.64 C ATOM 1418 O VAL A 98 -7.895 -9.350 -3.985 1.00 0.80 O ATOM 1419 CB VAL A 98 -8.531 -7.272 -6.422 1.00 0.51 C ATOM 1420 CG1 VAL A 98 -8.305 -8.523 -7.279 1.00 0.47 C ATOM 1421 CG2 VAL A 98 -10.020 -7.198 -6.118 1.00 0.61 C ATOM 0 H VAL A 98 -6.409 -6.023 -6.064 1.00 0.63 H new ATOM 0 HA VAL A 98 -8.478 -6.997 -4.283 1.00 0.60 H new ATOM 0 HB VAL A 98 -8.146 -6.432 -7.001 1.00 0.51 H new ATOM 0 HG11 VAL A 98 -8.885 -8.444 -8.199 1.00 0.47 H new ATOM 0 HG12 VAL A 98 -7.246 -8.610 -7.524 1.00 0.47 H new ATOM 0 HG13 VAL A 98 -8.623 -9.406 -6.725 1.00 0.47 H new ATOM 0 HG21 VAL A 98 -10.583 -7.223 -7.051 1.00 0.61 H new ATOM 0 HG22 VAL A 98 -10.307 -8.047 -5.498 1.00 0.61 H new ATOM 0 HG23 VAL A 98 -10.237 -6.271 -5.587 1.00 0.61 H new ATOM 1431 N TRP A 99 -6.014 -8.888 -5.132 1.00 0.72 N ATOM 1432 CA TRP A 99 -5.444 -10.217 -5.266 1.00 0.77 C ATOM 1433 C TRP A 99 -5.893 -11.172 -4.172 1.00 0.74 C ATOM 1434 O TRP A 99 -5.394 -11.115 -3.055 1.00 0.72 O ATOM 1435 CB TRP A 99 -3.928 -10.113 -5.263 1.00 0.80 C ATOM 1436 CG TRP A 99 -3.266 -11.299 -5.841 1.00 0.92 C ATOM 1437 CD1 TRP A 99 -2.666 -12.278 -5.140 1.00 1.00 C ATOM 1438 CD2 TRP A 99 -3.091 -11.619 -7.249 1.00 1.04 C ATOM 1439 NE1 TRP A 99 -2.136 -13.187 -6.022 1.00 1.13 N ATOM 1440 CE2 TRP A 99 -2.353 -12.829 -7.335 1.00 1.14 C ATOM 1441 CE3 TRP A 99 -3.419 -10.974 -8.459 1.00 1.10 C ATOM 1442 CZ2 TRP A 99 -1.934 -13.357 -8.562 1.00 1.26 C ATOM 1443 CZ3 TRP A 99 -3.034 -11.515 -9.699 1.00 1.21 C ATOM 1444 CH2 TRP A 99 -2.298 -12.709 -9.753 1.00 1.28 C ATOM 0 H TRP A 99 -5.367 -8.161 -5.439 1.00 0.72 H new ATOM 0 HA TRP A 99 -5.803 -10.629 -6.209 1.00 0.77 H new ATOM 0 HB2 TRP A 99 -3.629 -9.228 -5.824 1.00 0.80 H new ATOM 0 HB3 TRP A 99 -3.581 -9.973 -4.239 1.00 0.80 H new ATOM 0 HD1 TRP A 99 -2.610 -12.339 -4.063 1.00 1.00 H new ATOM 0 HE1 TRP A 99 -1.638 -14.031 -5.738 1.00 1.13 H new ATOM 0 HE3 TRP A 99 -3.975 -10.049 -8.433 1.00 1.10 H new ATOM 0 HZ2 TRP A 99 -1.336 -14.256 -8.592 1.00 1.26 H new ATOM 0 HZ3 TRP A 99 -3.306 -11.009 -10.614 1.00 1.21 H new ATOM 0 HH2 TRP A 99 -2.013 -13.127 -10.707 1.00 1.28 H new ATOM 1455 N ARG A 100 -6.841 -12.056 -4.458 1.00 0.78 N ATOM 1456 CA ARG A 100 -7.437 -12.921 -3.460 1.00 0.76 C ATOM 1457 C ARG A 100 -6.378 -13.654 -2.638 1.00 0.74 C ATOM 1458 O ARG A 100 -6.558 -13.827 -1.435 1.00 0.78 O ATOM 1459 CB ARG A 100 -8.458 -13.856 -4.117 1.00 0.91 C ATOM 1460 CG ARG A 100 -9.109 -14.766 -3.068 1.00 1.03 C ATOM 1461 CD ARG A 100 -8.503 -16.175 -3.119 1.00 1.38 C ATOM 1462 NE ARG A 100 -9.359 -17.051 -3.926 1.00 2.29 N ATOM 1463 CZ ARG A 100 -10.422 -17.723 -3.463 1.00 3.19 C ATOM 1464 NH1 ARG A 100 -10.744 -17.734 -2.172 1.00 3.71 N ATOM 1465 NH2 ARG A 100 -11.200 -18.366 -4.322 1.00 4.45 N ATOM 0 H ARG A 100 -7.217 -12.190 -5.397 1.00 0.78 H new ATOM 0 HA ARG A 100 -7.981 -12.309 -2.741 1.00 0.76 H new ATOM 0 HB2 ARG A 100 -9.224 -13.269 -4.623 1.00 0.91 H new ATOM 0 HB3 ARG A 100 -7.967 -14.462 -4.878 1.00 0.91 H new ATOM 0 HG2 ARG A 100 -8.970 -14.341 -2.074 1.00 1.03 H new ATOM 0 HG3 ARG A 100 -10.183 -14.821 -3.243 1.00 1.03 H new ATOM 0 HD2 ARG A 100 -7.501 -16.135 -3.546 1.00 1.38 H new ATOM 0 HD3 ARG A 100 -8.404 -16.576 -2.110 1.00 1.38 H new ATOM 0 HE ARG A 100 -9.128 -17.157 -4.914 1.00 2.29 H new ATOM 0 HH11 ARG A 100 -10.174 -17.220 -1.500 1.00 3.71 H new ATOM 0 HH12 ARG A 100 -11.560 -18.256 -1.854 1.00 3.71 H new ATOM 0 HH21 ARG A 100 -10.986 -18.345 -5.319 1.00 4.45 H new ATOM 0 HH22 ARG A 100 -12.013 -18.882 -3.986 1.00 4.45 H new ATOM 1479 N ASN A 101 -5.266 -14.056 -3.253 1.00 0.72 N ATOM 1480 CA ASN A 101 -4.269 -14.827 -2.525 1.00 0.72 C ATOM 1481 C ASN A 101 -3.662 -14.064 -1.345 1.00 0.82 C ATOM 1482 O ASN A 101 -3.320 -14.697 -0.350 1.00 1.44 O ATOM 1483 CB ASN A 101 -3.161 -15.352 -3.445 1.00 0.79 C ATOM 1484 CG ASN A 101 -2.414 -16.533 -2.822 1.00 1.22 C ATOM 1485 OD1 ASN A 101 -2.972 -17.325 -2.076 1.00 2.02 O ATOM 1486 ND2 ASN A 101 -1.149 -16.719 -3.160 1.00 2.31 N ATOM 0 H ASN A 101 -5.039 -13.865 -4.229 1.00 0.72 H new ATOM 0 HA ASN A 101 -4.809 -15.680 -2.115 1.00 0.72 H new ATOM 0 HB2 ASN A 101 -3.594 -15.658 -4.397 1.00 0.79 H new ATOM 0 HB3 ASN A 101 -2.456 -14.549 -3.659 1.00 0.79 H new ATOM 0 HD21 ASN A 101 -0.638 -17.524 -2.798 1.00 2.31 H new ATOM 0 HD22 ASN A 101 -0.685 -16.058 -3.782 1.00 2.31 H new ATOM 1493 N SER A 102 -3.519 -12.734 -1.410 1.00 0.73 N ATOM 1494 CA SER A 102 -2.699 -12.023 -0.436 1.00 0.65 C ATOM 1495 C SER A 102 -3.535 -11.764 0.818 1.00 0.61 C ATOM 1496 O SER A 102 -4.718 -11.429 0.721 1.00 0.96 O ATOM 1497 CB SER A 102 -2.144 -10.724 -1.039 1.00 0.74 C ATOM 1498 OG SER A 102 -3.153 -10.009 -1.722 1.00 2.33 O ATOM 0 H SER A 102 -3.955 -12.141 -2.117 1.00 0.73 H new ATOM 0 HA SER A 102 -1.838 -12.631 -0.159 1.00 0.65 H new ATOM 0 HB2 SER A 102 -1.725 -10.102 -0.248 1.00 0.74 H new ATOM 0 HB3 SER A 102 -1.330 -10.957 -1.726 1.00 0.74 H new ATOM 0 HG SER A 102 -2.741 -9.329 -2.295 1.00 2.33 H new ATOM 1504 N VAL A 103 -2.954 -11.976 2.000 1.00 0.54 N ATOM 1505 CA VAL A 103 -3.680 -11.861 3.262 1.00 0.54 C ATOM 1506 C VAL A 103 -3.019 -10.883 4.220 1.00 0.51 C ATOM 1507 O VAL A 103 -3.694 -10.293 5.062 1.00 0.71 O ATOM 1508 CB VAL A 103 -3.940 -13.239 3.895 1.00 0.68 C ATOM 1509 CG1 VAL A 103 -4.800 -14.114 2.976 1.00 0.81 C ATOM 1510 CG2 VAL A 103 -2.646 -13.978 4.248 1.00 0.79 C ATOM 0 H VAL A 103 -1.972 -12.231 2.108 1.00 0.54 H new ATOM 0 HA VAL A 103 -4.658 -11.437 3.035 1.00 0.54 H new ATOM 0 HB VAL A 103 -4.479 -13.051 4.824 1.00 0.68 H new ATOM 0 HG11 VAL A 103 -4.968 -15.082 3.448 1.00 0.81 H new ATOM 0 HG12 VAL A 103 -5.758 -13.625 2.800 1.00 0.81 H new ATOM 0 HG13 VAL A 103 -4.286 -14.258 2.026 1.00 0.81 H new ATOM 0 HG21 VAL A 103 -2.888 -14.944 4.691 1.00 0.79 H new ATOM 0 HG22 VAL A 103 -2.056 -14.131 3.344 1.00 0.79 H new ATOM 0 HG23 VAL A 103 -2.071 -13.386 4.960 1.00 0.79 H new ATOM 1520 N ARG A 104 -1.715 -10.693 4.068 1.00 0.58 N ATOM 1521 CA ARG A 104 -0.957 -9.706 4.813 1.00 0.55 C ATOM 1522 C ARG A 104 -0.725 -8.502 3.908 1.00 0.50 C ATOM 1523 O ARG A 104 -0.354 -8.675 2.745 1.00 0.71 O ATOM 1524 CB ARG A 104 0.389 -10.273 5.269 1.00 0.67 C ATOM 1525 CG ARG A 104 0.294 -11.668 5.896 1.00 0.95 C ATOM 1526 CD ARG A 104 1.074 -11.767 7.213 1.00 1.96 C ATOM 1527 NE ARG A 104 2.434 -11.200 7.135 1.00 2.75 N ATOM 1528 CZ ARG A 104 3.573 -11.898 7.036 1.00 3.35 C ATOM 1529 NH1 ARG A 104 3.545 -13.164 6.625 1.00 3.62 N ATOM 1530 NH2 ARG A 104 4.725 -11.311 7.344 1.00 4.70 N ATOM 0 H ARG A 104 -1.148 -11.231 3.412 1.00 0.58 H new ATOM 0 HA ARG A 104 -1.517 -9.419 5.703 1.00 0.55 H new ATOM 0 HB2 ARG A 104 1.063 -10.315 4.414 1.00 0.67 H new ATOM 0 HB3 ARG A 104 0.834 -9.590 5.992 1.00 0.67 H new ATOM 0 HG2 ARG A 104 -0.753 -11.912 6.077 1.00 0.95 H new ATOM 0 HG3 ARG A 104 0.677 -12.407 5.193 1.00 0.95 H new ATOM 0 HD2 ARG A 104 0.518 -11.251 7.995 1.00 1.96 H new ATOM 0 HD3 ARG A 104 1.142 -12.814 7.508 1.00 1.96 H new ATOM 0 HE ARG A 104 2.514 -10.183 7.159 1.00 2.75 H new ATOM 0 HH11 ARG A 104 2.656 -13.603 6.385 1.00 3.62 H new ATOM 0 HH12 ARG A 104 4.413 -13.695 6.550 1.00 3.62 H new ATOM 0 HH21 ARG A 104 4.736 -10.339 7.652 1.00 4.70 H new ATOM 0 HH22 ARG A 104 5.598 -11.833 7.272 1.00 4.70 H new ATOM 1544 N LEU A 105 -0.939 -7.300 4.435 1.00 0.46 N ATOM 1545 CA LEU A 105 -0.720 -6.037 3.749 1.00 0.44 C ATOM 1546 C LEU A 105 0.211 -5.198 4.622 1.00 0.47 C ATOM 1547 O LEU A 105 0.003 -5.122 5.833 1.00 0.69 O ATOM 1548 CB LEU A 105 -2.086 -5.347 3.600 1.00 0.57 C ATOM 1549 CG LEU A 105 -2.194 -4.325 2.461 1.00 0.75 C ATOM 1550 CD1 LEU A 105 -3.566 -3.644 2.538 1.00 2.27 C ATOM 1551 CD2 LEU A 105 -1.077 -3.281 2.407 1.00 1.77 C ATOM 0 H LEU A 105 -1.283 -7.178 5.388 1.00 0.46 H new ATOM 0 HA LEU A 105 -0.273 -6.172 2.764 1.00 0.44 H new ATOM 0 HB2 LEU A 105 -2.845 -6.114 3.448 1.00 0.57 H new ATOM 0 HB3 LEU A 105 -2.323 -4.845 4.538 1.00 0.57 H new ATOM 0 HG LEU A 105 -2.079 -4.888 1.535 1.00 0.75 H new ATOM 0 HD11 LEU A 105 -3.656 -2.914 1.733 1.00 2.27 H new ATOM 0 HD12 LEU A 105 -4.351 -4.394 2.437 1.00 2.27 H new ATOM 0 HD13 LEU A 105 -3.668 -3.139 3.499 1.00 2.27 H new ATOM 0 HD21 LEU A 105 -1.248 -2.608 1.567 1.00 1.77 H new ATOM 0 HD22 LEU A 105 -1.069 -2.708 3.334 1.00 1.77 H new ATOM 0 HD23 LEU A 105 -0.117 -3.782 2.281 1.00 1.77 H new ATOM 1563 N GLY A 106 1.220 -4.553 4.042 1.00 0.55 N ATOM 1564 CA GLY A 106 2.053 -3.619 4.774 1.00 0.63 C ATOM 1565 C GLY A 106 2.606 -2.539 3.854 1.00 0.64 C ATOM 1566 O GLY A 106 3.505 -2.792 3.054 1.00 0.64 O ATOM 0 H GLY A 106 1.477 -4.665 3.061 1.00 0.55 H new ATOM 0 HA2 GLY A 106 1.472 -3.158 5.573 1.00 0.63 H new ATOM 0 HA3 GLY A 106 2.876 -4.155 5.247 1.00 0.63 H new ATOM 1570 N CYS A 107 2.084 -1.322 3.988 1.00 0.81 N ATOM 1571 CA CYS A 107 2.654 -0.128 3.379 1.00 0.62 C ATOM 1572 C CYS A 107 3.582 0.579 4.337 1.00 0.53 C ATOM 1573 O CYS A 107 3.383 0.531 5.549 1.00 0.68 O ATOM 1574 CB CYS A 107 1.583 0.872 2.946 1.00 0.72 C ATOM 1575 SG CYS A 107 1.022 0.887 1.242 1.00 1.96 S ATOM 0 H CYS A 107 1.241 -1.137 4.531 1.00 0.81 H new ATOM 0 HA CYS A 107 3.199 -0.474 2.501 1.00 0.62 H new ATOM 0 HB2 CYS A 107 0.709 0.707 3.576 1.00 0.72 H new ATOM 0 HB3 CYS A 107 1.957 1.870 3.175 1.00 0.72 H new ATOM 1580 N GLY A 108 4.539 1.303 3.768 1.00 0.57 N ATOM 1581 CA GLY A 108 5.383 2.247 4.468 1.00 0.61 C ATOM 1582 C GLY A 108 4.993 3.656 4.045 1.00 0.73 C ATOM 1583 O GLY A 108 3.888 3.886 3.546 1.00 1.54 O ATOM 0 H GLY A 108 4.751 1.242 2.772 1.00 0.57 H new ATOM 0 HA2 GLY A 108 5.268 2.130 5.546 1.00 0.61 H new ATOM 0 HA3 GLY A 108 6.432 2.060 4.237 1.00 0.61 H new ATOM 1587 N ARG A 109 5.910 4.599 4.213 1.00 0.71 N ATOM 1588 CA ARG A 109 5.841 5.943 3.678 1.00 0.66 C ATOM 1589 C ARG A 109 7.278 6.464 3.641 1.00 0.80 C ATOM 1590 O ARG A 109 8.093 6.008 4.435 1.00 1.69 O ATOM 1591 CB ARG A 109 4.968 6.824 4.565 1.00 0.99 C ATOM 1592 CG ARG A 109 4.123 7.740 3.675 1.00 0.81 C ATOM 1593 CD ARG A 109 2.720 7.178 3.400 1.00 2.05 C ATOM 1594 NE ARG A 109 1.855 7.255 4.587 1.00 2.90 N ATOM 1595 CZ ARG A 109 1.557 6.251 5.430 1.00 4.71 C ATOM 1596 NH1 ARG A 109 1.999 5.007 5.226 1.00 5.91 N ATOM 1597 NH2 ARG A 109 0.816 6.538 6.493 1.00 5.72 N ATOM 0 H ARG A 109 6.760 4.435 4.752 1.00 0.71 H new ATOM 0 HA ARG A 109 5.396 5.953 2.683 1.00 0.66 H new ATOM 0 HB2 ARG A 109 4.323 6.207 5.191 1.00 0.99 H new ATOM 0 HB3 ARG A 109 5.590 7.418 5.235 1.00 0.99 H new ATOM 0 HG2 ARG A 109 4.031 8.716 4.151 1.00 0.81 H new ATOM 0 HG3 ARG A 109 4.639 7.895 2.727 1.00 0.81 H new ATOM 0 HD2 ARG A 109 2.262 7.732 2.580 1.00 2.05 H new ATOM 0 HD3 ARG A 109 2.802 6.140 3.077 1.00 2.05 H new ATOM 0 HE ARG A 109 1.438 8.163 4.792 1.00 2.90 H new ATOM 0 HH11 ARG A 109 2.579 4.799 4.413 1.00 5.91 H new ATOM 0 HH12 ARG A 109 1.757 4.265 5.883 1.00 5.91 H new ATOM 0 HH21 ARG A 109 0.494 7.493 6.647 1.00 5.72 H new ATOM 0 HH22 ARG A 109 0.569 5.803 7.156 1.00 5.72 H new ATOM 1611 N ALA A 110 7.606 7.424 2.785 1.00 0.46 N ATOM 1612 CA ALA A 110 8.803 8.238 2.966 1.00 0.52 C ATOM 1613 C ALA A 110 8.630 9.494 2.130 1.00 0.58 C ATOM 1614 O ALA A 110 7.952 9.430 1.108 1.00 0.76 O ATOM 1615 CB ALA A 110 10.072 7.493 2.536 1.00 0.71 C ATOM 0 H ALA A 110 7.059 7.659 1.957 1.00 0.46 H new ATOM 0 HA ALA A 110 8.921 8.478 4.023 1.00 0.52 H new ATOM 0 HB1 ALA A 110 10.940 8.135 2.687 1.00 0.71 H new ATOM 0 HB2 ALA A 110 10.182 6.587 3.133 1.00 0.71 H new ATOM 0 HB3 ALA A 110 9.998 7.226 1.482 1.00 0.71 H new ATOM 1621 N ARG A 111 9.228 10.619 2.524 1.00 0.57 N ATOM 1622 CA ARG A 111 9.294 11.782 1.647 1.00 0.62 C ATOM 1623 C ARG A 111 10.664 11.760 0.964 1.00 0.67 C ATOM 1624 O ARG A 111 11.664 12.191 1.541 1.00 1.16 O ATOM 1625 CB ARG A 111 8.994 13.080 2.410 1.00 0.80 C ATOM 1626 CG ARG A 111 8.411 14.134 1.457 1.00 1.09 C ATOM 1627 CD ARG A 111 8.093 15.456 2.173 1.00 1.56 C ATOM 1628 NE ARG A 111 7.141 16.278 1.402 1.00 2.98 N ATOM 1629 CZ ARG A 111 7.446 17.088 0.376 1.00 3.47 C ATOM 1630 NH1 ARG A 111 8.710 17.253 -0.005 1.00 3.47 N ATOM 1631 NH2 ARG A 111 6.476 17.704 -0.293 1.00 5.07 N ATOM 0 H ARG A 111 9.668 10.747 3.435 1.00 0.57 H new ATOM 0 HA ARG A 111 8.523 11.743 0.878 1.00 0.62 H new ATOM 0 HB2 ARG A 111 8.290 12.881 3.218 1.00 0.80 H new ATOM 0 HB3 ARG A 111 9.907 13.460 2.869 1.00 0.80 H new ATOM 0 HG2 ARG A 111 9.119 14.322 0.650 1.00 1.09 H new ATOM 0 HG3 ARG A 111 7.502 13.744 0.999 1.00 1.09 H new ATOM 0 HD2 ARG A 111 7.677 15.245 3.158 1.00 1.56 H new ATOM 0 HD3 ARG A 111 9.015 16.016 2.329 1.00 1.56 H new ATOM 0 HE ARG A 111 6.159 16.226 1.674 1.00 2.98 H new ATOM 0 HH11 ARG A 111 9.458 16.762 0.484 1.00 3.47 H new ATOM 0 HH12 ARG A 111 8.931 17.871 -0.786 1.00 3.47 H new ATOM 0 HH21 ARG A 111 5.502 17.561 -0.026 1.00 5.07 H new ATOM 0 HH22 ARG A 111 6.706 18.320 -1.073 1.00 5.07 H new ATOM 1645 N CYS A 112 10.725 11.193 -0.234 1.00 0.70 N ATOM 1646 CA CYS A 112 11.917 11.110 -1.066 1.00 0.79 C ATOM 1647 C CYS A 112 12.398 12.445 -1.597 1.00 0.95 C ATOM 1648 O CYS A 112 11.704 13.456 -1.489 1.00 1.11 O ATOM 1649 CB CYS A 112 11.700 10.178 -2.252 1.00 1.18 C ATOM 1650 SG CYS A 112 10.964 8.574 -1.950 1.00 1.66 S ATOM 0 H CYS A 112 9.911 10.760 -0.670 1.00 0.70 H new ATOM 0 HA CYS A 112 12.686 10.720 -0.400 1.00 0.79 H new ATOM 0 HB2 CYS A 112 11.073 10.700 -2.975 1.00 1.18 H new ATOM 0 HB3 CYS A 112 12.667 10.015 -2.728 1.00 1.18 H new ATOM 1690 N TRP A 116 9.190 12.621 -4.291 1.00 1.88 N ATOM 1691 CA TRP A 116 8.237 13.363 -3.493 1.00 0.90 C ATOM 1692 C TRP A 116 7.680 12.546 -2.318 1.00 0.69 C ATOM 1693 O TRP A 116 8.458 11.955 -1.573 1.00 0.86 O ATOM 1694 CB TRP A 116 7.162 13.839 -4.460 1.00 1.05 C ATOM 1695 CG TRP A 116 7.546 14.880 -5.454 1.00 1.22 C ATOM 1696 CD1 TRP A 116 7.658 16.188 -5.159 1.00 1.70 C ATOM 1697 CD2 TRP A 116 7.792 14.774 -6.889 1.00 1.27 C ATOM 1698 NE1 TRP A 116 7.858 16.910 -6.312 1.00 1.95 N ATOM 1699 CE2 TRP A 116 7.966 16.089 -7.411 1.00 1.67 C ATOM 1700 CE3 TRP A 116 7.918 13.706 -7.802 1.00 1.37 C ATOM 1701 CZ2 TRP A 116 8.231 16.335 -8.764 1.00 1.88 C ATOM 1702 CZ3 TRP A 116 8.222 13.936 -9.156 1.00 1.69 C ATOM 1703 CH2 TRP A 116 8.400 15.247 -9.633 1.00 1.83 C ATOM 0 HA TRP A 116 8.714 14.213 -3.004 1.00 0.90 H new ATOM 0 HB2 TRP A 116 6.793 12.971 -5.007 1.00 1.05 H new ATOM 0 HB3 TRP A 116 6.328 14.225 -3.873 1.00 1.05 H new ATOM 0 HD1 TRP A 116 7.600 16.608 -4.166 1.00 1.70 H new ATOM 0 HE1 TRP A 116 7.919 17.928 -6.348 1.00 1.95 H new ATOM 0 HE3 TRP A 116 7.778 12.693 -7.455 1.00 1.37 H new ATOM 0 HZ2 TRP A 116 8.304 17.347 -9.133 1.00 1.88 H new ATOM 0 HZ3 TRP A 116 8.319 13.101 -9.834 1.00 1.69 H new ATOM 0 HH2 TRP A 116 8.666 15.416 -10.666 1.00 1.83 H new ATOM 1714 N TRP A 117 6.355 12.501 -2.146 1.00 0.69 N ATOM 1715 CA TRP A 117 5.730 11.680 -1.131 1.00 0.84 C ATOM 1716 C TRP A 117 5.602 10.291 -1.721 1.00 0.88 C ATOM 1717 O TRP A 117 4.964 10.118 -2.757 1.00 1.11 O ATOM 1718 CB TRP A 117 4.357 12.232 -0.729 1.00 1.10 C ATOM 1719 CG TRP A 117 4.381 13.117 0.475 1.00 1.05 C ATOM 1720 CD1 TRP A 117 3.849 14.355 0.573 1.00 1.23 C ATOM 1721 CD2 TRP A 117 4.924 12.804 1.792 1.00 0.95 C ATOM 1722 NE1 TRP A 117 4.087 14.848 1.840 1.00 1.21 N ATOM 1723 CE2 TRP A 117 4.747 13.935 2.636 1.00 1.04 C ATOM 1724 CE3 TRP A 117 5.552 11.674 2.358 1.00 0.91 C ATOM 1725 CZ2 TRP A 117 5.195 13.953 3.965 1.00 1.06 C ATOM 1726 CZ3 TRP A 117 5.958 11.663 3.701 1.00 0.95 C ATOM 1727 CH2 TRP A 117 5.814 12.810 4.497 1.00 1.01 C ATOM 0 H TRP A 117 5.695 13.036 -2.711 1.00 0.69 H new ATOM 0 HA TRP A 117 6.331 11.669 -0.222 1.00 0.84 H new ATOM 0 HB2 TRP A 117 3.943 12.790 -1.568 1.00 1.10 H new ATOM 0 HB3 TRP A 117 3.684 11.396 -0.538 1.00 1.10 H new ATOM 0 HD1 TRP A 117 3.322 14.875 -0.213 1.00 1.23 H new ATOM 0 HE1 TRP A 117 3.808 15.778 2.151 1.00 1.21 H new ATOM 0 HE3 TRP A 117 5.723 10.801 1.746 1.00 0.91 H new ATOM 0 HZ2 TRP A 117 5.065 14.836 4.573 1.00 1.06 H new ATOM 0 HZ3 TRP A 117 6.384 10.766 4.125 1.00 0.95 H new ATOM 0 HH2 TRP A 117 6.178 12.814 5.514 1.00 1.01 H new ATOM 1738 N PHE A 118 6.249 9.331 -1.077 1.00 0.91 N ATOM 1739 CA PHE A 118 6.399 7.971 -1.538 1.00 0.85 C ATOM 1740 C PHE A 118 5.752 6.961 -0.620 1.00 0.68 C ATOM 1741 O PHE A 118 5.774 7.110 0.601 1.00 1.06 O ATOM 1742 CB PHE A 118 7.878 7.661 -1.677 1.00 0.89 C ATOM 1743 CG PHE A 118 8.177 6.389 -2.441 1.00 0.93 C ATOM 1744 CD1 PHE A 118 7.628 6.165 -3.716 1.00 2.26 C ATOM 1745 CD2 PHE A 118 8.985 5.402 -1.850 1.00 1.62 C ATOM 1746 CE1 PHE A 118 7.745 4.905 -4.319 1.00 2.49 C ATOM 1747 CE2 PHE A 118 9.168 4.171 -2.492 1.00 1.69 C ATOM 1748 CZ PHE A 118 8.514 3.904 -3.704 1.00 1.47 C ATOM 0 H PHE A 118 6.702 9.493 -0.178 1.00 0.91 H new ATOM 0 HA PHE A 118 5.890 7.892 -2.499 1.00 0.85 H new ATOM 0 HB2 PHE A 118 8.367 8.496 -2.179 1.00 0.89 H new ATOM 0 HB3 PHE A 118 8.317 7.585 -0.682 1.00 0.89 H new ATOM 0 HD1 PHE A 118 7.116 6.964 -4.231 1.00 2.26 H new ATOM 0 HD2 PHE A 118 9.464 5.593 -0.901 1.00 1.62 H new ATOM 0 HE1 PHE A 118 7.245 4.705 -5.255 1.00 2.49 H new ATOM 0 HE2 PHE A 118 9.814 3.425 -2.053 1.00 1.69 H new ATOM 0 HZ PHE A 118 8.602 2.930 -4.163 1.00 1.47 H new ATOM 1758 N ILE A 119 5.210 5.917 -1.238 1.00 0.44 N ATOM 1759 CA ILE A 119 4.597 4.781 -0.602 1.00 0.50 C ATOM 1760 C ILE A 119 5.145 3.543 -1.305 1.00 0.50 C ATOM 1761 O ILE A 119 4.886 3.348 -2.491 1.00 0.50 O ATOM 1762 CB ILE A 119 3.064 4.904 -0.729 1.00 0.66 C ATOM 1763 CG1 ILE A 119 2.549 6.066 0.135 1.00 0.64 C ATOM 1764 CG2 ILE A 119 2.388 3.591 -0.327 1.00 0.80 C ATOM 1765 CD1 ILE A 119 2.338 7.368 -0.647 1.00 0.97 C ATOM 0 H ILE A 119 5.191 5.848 -2.255 1.00 0.44 H new ATOM 0 HA ILE A 119 4.822 4.719 0.463 1.00 0.50 H new ATOM 0 HB ILE A 119 2.815 5.112 -1.770 1.00 0.66 H new ATOM 0 HG12 ILE A 119 1.606 5.773 0.598 1.00 0.64 H new ATOM 0 HG13 ILE A 119 3.258 6.248 0.943 1.00 0.64 H new ATOM 0 HG21 ILE A 119 1.307 3.694 -0.422 1.00 0.80 H new ATOM 0 HG22 ILE A 119 2.735 2.789 -0.979 1.00 0.80 H new ATOM 0 HG23 ILE A 119 2.640 3.353 0.706 1.00 0.80 H new ATOM 0 HD11 ILE A 119 1.974 8.143 0.028 1.00 0.97 H new ATOM 0 HD12 ILE A 119 3.283 7.685 -1.087 1.00 0.97 H new ATOM 0 HD13 ILE A 119 1.607 7.203 -1.438 1.00 0.97 H new ATOM 1777 N SER A 120 5.881 2.708 -0.571 1.00 0.79 N ATOM 1778 CA SER A 120 6.085 1.318 -0.947 1.00 0.78 C ATOM 1779 C SER A 120 4.979 0.518 -0.267 1.00 0.70 C ATOM 1780 O SER A 120 4.660 0.822 0.886 1.00 0.69 O ATOM 1781 CB SER A 120 7.453 0.830 -0.459 1.00 0.81 C ATOM 1782 OG SER A 120 8.473 1.653 -0.980 1.00 1.79 O ATOM 0 H SER A 120 6.348 2.978 0.295 1.00 0.79 H new ATOM 0 HA SER A 120 6.056 1.199 -2.030 1.00 0.78 H new ATOM 0 HB2 SER A 120 7.485 0.843 0.630 1.00 0.81 H new ATOM 0 HB3 SER A 120 7.612 -0.202 -0.771 1.00 0.81 H new ATOM 0 HG SER A 120 8.073 2.376 -1.507 1.00 1.79 H new ATOM 1788 N CYS A 121 4.401 -0.475 -0.942 1.00 0.75 N ATOM 1789 CA CYS A 121 3.397 -1.356 -0.361 1.00 0.75 C ATOM 1790 C CYS A 121 3.720 -2.799 -0.687 1.00 0.67 C ATOM 1791 O CYS A 121 3.751 -3.169 -1.857 1.00 0.82 O ATOM 1792 CB CYS A 121 1.989 -1.003 -0.833 1.00 1.07 C ATOM 1793 SG CYS A 121 0.787 -1.050 0.506 1.00 1.26 S ATOM 0 H CYS A 121 4.620 -0.690 -1.915 1.00 0.75 H new ATOM 0 HA CYS A 121 3.420 -1.219 0.720 1.00 0.75 H new ATOM 0 HB2 CYS A 121 1.996 -0.008 -1.277 1.00 1.07 H new ATOM 0 HB3 CYS A 121 1.685 -1.699 -1.615 1.00 1.07 H new ATOM 1798 N ASN A 122 3.992 -3.601 0.339 1.00 0.56 N ATOM 1799 CA ASN A 122 4.428 -4.982 0.211 1.00 0.52 C ATOM 1800 C ASN A 122 3.368 -5.893 0.831 1.00 0.44 C ATOM 1801 O ASN A 122 2.556 -5.440 1.643 1.00 0.50 O ATOM 1802 CB ASN A 122 5.816 -5.126 0.842 1.00 0.77 C ATOM 1803 CG ASN A 122 6.537 -6.372 0.335 1.00 1.21 C ATOM 1804 OD1 ASN A 122 6.143 -7.494 0.632 1.00 2.66 O ATOM 1805 ND2 ASN A 122 7.599 -6.199 -0.437 1.00 1.33 N ATOM 0 H ASN A 122 3.912 -3.296 1.309 1.00 0.56 H new ATOM 0 HA ASN A 122 4.528 -5.282 -0.832 1.00 0.52 H new ATOM 0 HB2 ASN A 122 6.413 -4.242 0.616 1.00 0.77 H new ATOM 0 HB3 ASN A 122 5.720 -5.177 1.927 1.00 0.77 H new ATOM 0 HD21 ASN A 122 8.106 -7.008 -0.796 1.00 1.33 H new ATOM 0 HD22 ASN A 122 7.910 -5.257 -0.672 1.00 1.33 H new ATOM 1812 N TYR A 123 3.305 -7.139 0.363 1.00 0.48 N ATOM 1813 CA TYR A 123 2.211 -8.069 0.604 1.00 0.51 C ATOM 1814 C TYR A 123 2.788 -9.476 0.693 1.00 0.54 C ATOM 1815 O TYR A 123 3.831 -9.738 0.083 1.00 0.61 O ATOM 1816 CB TYR A 123 1.210 -8.033 -0.562 1.00 0.50 C ATOM 1817 CG TYR A 123 0.581 -6.685 -0.854 1.00 0.51 C ATOM 1818 CD1 TYR A 123 1.325 -5.703 -1.529 1.00 1.74 C ATOM 1819 CD2 TYR A 123 -0.774 -6.447 -0.558 1.00 1.77 C ATOM 1820 CE1 TYR A 123 0.752 -4.460 -1.823 1.00 1.78 C ATOM 1821 CE2 TYR A 123 -1.362 -5.220 -0.910 1.00 1.75 C ATOM 1822 CZ TYR A 123 -0.581 -4.203 -1.480 1.00 0.64 C ATOM 1823 OH TYR A 123 -1.130 -3.003 -1.810 1.00 0.76 O ATOM 0 H TYR A 123 4.043 -7.540 -0.215 1.00 0.48 H new ATOM 0 HA TYR A 123 1.701 -7.790 1.526 1.00 0.51 H new ATOM 0 HB2 TYR A 123 1.718 -8.378 -1.462 1.00 0.50 H new ATOM 0 HB3 TYR A 123 0.413 -8.746 -0.353 1.00 0.50 H new ATOM 0 HD1 TYR A 123 2.344 -5.908 -1.823 1.00 1.74 H new ATOM 0 HD2 TYR A 123 -1.361 -7.206 -0.061 1.00 1.77 H new ATOM 0 HE1 TYR A 123 1.339 -3.698 -2.315 1.00 1.78 H new ATOM 0 HE2 TYR A 123 -2.417 -5.060 -0.742 1.00 1.75 H new ATOM 0 HH TYR A 123 -1.839 -2.781 -1.171 1.00 0.76 H new ATOM 1833 N ASP A 124 2.082 -10.389 1.364 1.00 0.58 N ATOM 1834 CA ASP A 124 2.280 -11.826 1.201 1.00 0.76 C ATOM 1835 C ASP A 124 0.948 -12.571 1.376 1.00 0.68 C ATOM 1836 O ASP A 124 0.051 -12.072 2.070 1.00 0.61 O ATOM 1837 CB ASP A 124 3.401 -12.383 2.093 1.00 1.20 C ATOM 1838 CG ASP A 124 3.011 -12.504 3.545 1.00 1.60 C ATOM 1839 OD1 ASP A 124 2.553 -13.589 3.963 1.00 2.59 O ATOM 1840 OD2 ASP A 124 3.309 -11.548 4.280 1.00 2.90 O ATOM 0 H ASP A 124 1.355 -10.149 2.038 1.00 0.58 H new ATOM 0 HA ASP A 124 2.626 -11.999 0.182 1.00 0.76 H new ATOM 0 HB2 ASP A 124 3.696 -13.364 1.721 1.00 1.20 H new ATOM 0 HB3 ASP A 124 4.274 -11.736 2.012 1.00 1.20 H new ATOM 1845 N PRO A 125 0.781 -13.749 0.746 1.00 0.87 N ATOM 1846 CA PRO A 125 1.621 -14.307 -0.318 1.00 1.09 C ATOM 1847 C PRO A 125 1.633 -13.428 -1.581 1.00 1.12 C ATOM 1848 O PRO A 125 0.945 -12.407 -1.639 1.00 0.96 O ATOM 1849 CB PRO A 125 1.041 -15.696 -0.608 1.00 1.30 C ATOM 1850 CG PRO A 125 -0.425 -15.525 -0.229 1.00 1.27 C ATOM 1851 CD PRO A 125 -0.336 -14.639 1.007 1.00 1.00 C ATOM 0 HA PRO A 125 2.664 -14.358 -0.004 1.00 1.09 H new ATOM 0 HB2 PRO A 125 1.160 -15.975 -1.655 1.00 1.30 H new ATOM 0 HB3 PRO A 125 1.526 -16.471 -0.014 1.00 1.30 H new ATOM 0 HG2 PRO A 125 -1.000 -15.054 -1.027 1.00 1.27 H new ATOM 0 HG3 PRO A 125 -0.904 -16.480 -0.012 1.00 1.27 H new ATOM 0 HD2 PRO A 125 -1.259 -14.080 1.161 1.00 1.00 H new ATOM 0 HD3 PRO A 125 -0.168 -15.231 1.907 1.00 1.00 H new ATOM 1859 N VAL A 126 2.465 -13.786 -2.567 1.00 1.37 N ATOM 1860 CA VAL A 126 2.704 -12.946 -3.738 1.00 1.40 C ATOM 1861 C VAL A 126 1.432 -12.678 -4.544 1.00 1.35 C ATOM 1862 O VAL A 126 0.443 -13.407 -4.451 1.00 1.54 O ATOM 1863 CB VAL A 126 3.846 -13.481 -4.631 1.00 1.70 C ATOM 1864 CG1 VAL A 126 5.148 -13.642 -3.837 1.00 1.80 C ATOM 1865 CG2 VAL A 126 3.501 -14.798 -5.350 1.00 1.95 C ATOM 0 H VAL A 126 2.987 -14.662 -2.572 1.00 1.37 H new ATOM 0 HA VAL A 126 3.034 -11.984 -3.347 1.00 1.40 H new ATOM 0 HB VAL A 126 3.986 -12.726 -5.404 1.00 1.70 H new ATOM 0 HG11 VAL A 126 5.931 -14.020 -4.495 1.00 1.80 H new ATOM 0 HG12 VAL A 126 5.449 -12.676 -3.432 1.00 1.80 H new ATOM 0 HG13 VAL A 126 4.991 -14.345 -3.019 1.00 1.80 H new ATOM 0 HG21 VAL A 126 4.349 -15.113 -5.958 1.00 1.95 H new ATOM 0 HG22 VAL A 126 3.278 -15.568 -4.612 1.00 1.95 H new ATOM 0 HG23 VAL A 126 2.632 -14.646 -5.990 1.00 1.95 H new ATOM 1875 N GLY A 127 1.474 -11.637 -5.378 1.00 1.32 N ATOM 1876 CA GLY A 127 0.388 -11.327 -6.280 1.00 1.35 C ATOM 1877 C GLY A 127 0.852 -10.470 -7.443 1.00 1.14 C ATOM 1878 O GLY A 127 1.985 -9.995 -7.457 1.00 1.14 O ATOM 0 H GLY A 127 2.263 -10.994 -5.439 1.00 1.32 H new ATOM 0 HA2 GLY A 127 -0.045 -12.252 -6.660 1.00 1.35 H new ATOM 0 HA3 GLY A 127 -0.400 -10.806 -5.736 1.00 1.35 H new ATOM 1882 N ASN A 128 -0.005 -10.347 -8.458 1.00 1.13 N ATOM 1883 CA ASN A 128 0.357 -9.956 -9.822 1.00 1.12 C ATOM 1884 C ASN A 128 1.196 -11.052 -10.489 1.00 1.32 C ATOM 1885 O ASN A 128 1.758 -10.837 -11.564 1.00 1.57 O ATOM 1886 CB ASN A 128 1.069 -8.591 -9.898 1.00 1.00 C ATOM 1887 CG ASN A 128 0.262 -7.450 -9.294 1.00 1.16 C ATOM 1888 OD1 ASN A 128 -0.961 -7.505 -9.237 1.00 2.11 O ATOM 1889 ND2 ASN A 128 0.912 -6.379 -8.856 1.00 1.66 N ATOM 0 H ASN A 128 -1.004 -10.523 -8.350 1.00 1.13 H new ATOM 0 HA ASN A 128 -0.578 -9.838 -10.370 1.00 1.12 H new ATOM 0 HB2 ASN A 128 2.027 -8.661 -9.382 1.00 1.00 H new ATOM 0 HB3 ASN A 128 1.285 -8.360 -10.941 1.00 1.00 H new ATOM 0 HD21 ASN A 128 0.394 -5.591 -8.467 1.00 1.66 H new ATOM 0 HD22 ASN A 128 1.930 -6.344 -8.908 1.00 1.66 H new ATOM 1896 N TRP A 129 1.262 -12.233 -9.874 1.00 1.34 N ATOM 1897 CA TRP A 129 2.059 -13.375 -10.289 1.00 1.54 C ATOM 1898 C TRP A 129 1.147 -14.292 -11.106 1.00 1.72 C ATOM 1899 O TRP A 129 0.038 -14.603 -10.678 1.00 1.63 O ATOM 1900 CB TRP A 129 2.642 -14.031 -9.022 1.00 1.53 C ATOM 1901 CG TRP A 129 2.612 -15.516 -8.895 1.00 1.76 C ATOM 1902 CD1 TRP A 129 1.540 -16.227 -8.494 1.00 1.93 C ATOM 1903 CD2 TRP A 129 3.705 -16.473 -9.011 1.00 1.97 C ATOM 1904 NE1 TRP A 129 1.880 -17.556 -8.372 1.00 2.21 N ATOM 1905 CE2 TRP A 129 3.213 -17.756 -8.635 1.00 2.22 C ATOM 1906 CE3 TRP A 129 5.073 -16.385 -9.345 1.00 2.03 C ATOM 1907 CZ2 TRP A 129 4.036 -18.885 -8.576 1.00 2.46 C ATOM 1908 CZ3 TRP A 129 5.898 -17.526 -9.338 1.00 2.32 C ATOM 1909 CH2 TRP A 129 5.382 -18.776 -8.953 1.00 2.51 C ATOM 0 H TRP A 129 0.729 -12.423 -9.026 1.00 1.34 H new ATOM 0 HA TRP A 129 2.906 -13.111 -10.923 1.00 1.54 H new ATOM 0 HB2 TRP A 129 3.682 -13.715 -8.937 1.00 1.53 H new ATOM 0 HB3 TRP A 129 2.112 -13.617 -8.164 1.00 1.53 H new ATOM 0 HD1 TRP A 129 0.561 -15.816 -8.298 1.00 1.93 H new ATOM 0 HE1 TRP A 129 1.226 -18.297 -8.119 1.00 2.21 H new ATOM 0 HE3 TRP A 129 5.494 -15.427 -9.610 1.00 2.03 H new ATOM 0 HZ2 TRP A 129 3.638 -19.832 -8.243 1.00 2.46 H new ATOM 0 HZ3 TRP A 129 6.934 -17.440 -9.630 1.00 2.32 H new ATOM 0 HH2 TRP A 129 6.019 -19.648 -8.948 1.00 2.51 H new ATOM 1920 N ILE A 130 1.573 -14.690 -12.304 1.00 2.22 N ATOM 1921 CA ILE A 130 0.757 -15.545 -13.155 1.00 2.45 C ATOM 1922 C ILE A 130 0.587 -16.933 -12.521 1.00 2.33 C ATOM 1923 O ILE A 130 1.409 -17.356 -11.712 1.00 2.38 O ATOM 1924 CB ILE A 130 1.319 -15.548 -14.597 1.00 3.12 C ATOM 1925 CG1 ILE A 130 0.211 -15.173 -15.597 1.00 3.49 C ATOM 1926 CG2 ILE A 130 2.044 -16.847 -14.975 1.00 3.46 C ATOM 1927 CD1 ILE A 130 0.725 -15.008 -17.031 1.00 4.05 C ATOM 0 H ILE A 130 2.476 -14.433 -12.703 1.00 2.22 H new ATOM 0 HA ILE A 130 -0.255 -15.148 -13.237 1.00 2.45 H new ATOM 0 HB ILE A 130 2.095 -14.784 -14.642 1.00 3.12 H new ATOM 0 HG12 ILE A 130 -0.561 -15.943 -15.580 1.00 3.49 H new ATOM 0 HG13 ILE A 130 -0.259 -14.243 -15.277 1.00 3.49 H new ATOM 0 HG21 ILE A 130 2.410 -16.775 -15.999 1.00 3.46 H new ATOM 0 HG22 ILE A 130 2.885 -17.004 -14.299 1.00 3.46 H new ATOM 0 HG23 ILE A 130 1.353 -17.686 -14.895 1.00 3.46 H new ATOM 0 HD11 ILE A 130 -0.105 -14.744 -17.687 1.00 4.05 H new ATOM 0 HD12 ILE A 130 1.476 -14.218 -17.060 1.00 4.05 H new ATOM 0 HD13 ILE A 130 1.170 -15.944 -17.368 1.00 4.05 H new ATOM 1939 N GLY A 131 -0.466 -17.656 -12.910 1.00 2.44 N ATOM 1940 CA GLY A 131 -0.715 -19.007 -12.424 1.00 2.57 C ATOM 1941 C GLY A 131 -1.151 -18.987 -10.960 1.00 1.99 C ATOM 1942 O GLY A 131 -0.533 -19.623 -10.107 1.00 2.37 O ATOM 0 H GLY A 131 -1.167 -17.318 -13.570 1.00 2.44 H new ATOM 0 HA2 GLY A 131 -1.487 -19.480 -13.031 1.00 2.57 H new ATOM 0 HA3 GLY A 131 0.188 -19.609 -12.531 1.00 2.57 H new ATOM 1946 N GLN A 132 -2.225 -18.246 -10.670 1.00 2.10 N ATOM 1947 CA GLN A 132 -2.787 -18.149 -9.328 1.00 1.67 C ATOM 1948 C GLN A 132 -4.261 -17.766 -9.329 1.00 1.88 C ATOM 1949 O GLN A 132 -5.043 -18.411 -8.634 1.00 3.50 O ATOM 1950 CB GLN A 132 -1.965 -17.172 -8.491 1.00 1.63 C ATOM 1951 CG GLN A 132 -2.120 -17.449 -6.996 1.00 1.97 C ATOM 1952 CD GLN A 132 -0.980 -16.834 -6.197 1.00 1.77 C ATOM 1953 OE1 GLN A 132 -1.075 -15.703 -5.747 1.00 2.70 O ATOM 1954 NE2 GLN A 132 0.115 -17.552 -6.012 1.00 1.90 N ATOM 0 H GLN A 132 -2.728 -17.696 -11.366 1.00 2.10 H new ATOM 0 HA GLN A 132 -2.734 -19.141 -8.880 1.00 1.67 H new ATOM 0 HB2 GLN A 132 -0.914 -17.248 -8.769 1.00 1.63 H new ATOM 0 HB3 GLN A 132 -2.280 -16.151 -8.708 1.00 1.63 H new ATOM 0 HG2 GLN A 132 -3.070 -17.046 -6.646 1.00 1.97 H new ATOM 0 HG3 GLN A 132 -2.148 -18.525 -6.825 1.00 1.97 H new ATOM 0 HE21 GLN A 132 0.177 -18.495 -6.395 1.00 1.90 H new ATOM 0 HE22 GLN A 132 0.897 -17.163 -5.486 1.00 1.90 H new ATOM 1963 N ARG A 133 -4.613 -16.736 -10.113 1.00 1.65 N ATOM 1964 CA ARG A 133 -5.959 -16.177 -10.283 1.00 1.59 C ATOM 1965 C ARG A 133 -6.136 -14.967 -9.345 1.00 1.39 C ATOM 1966 O ARG A 133 -5.866 -15.100 -8.152 1.00 1.33 O ATOM 1967 CB ARG A 133 -7.041 -17.235 -10.019 1.00 1.64 C ATOM 1968 CG ARG A 133 -8.374 -17.011 -10.728 1.00 2.46 C ATOM 1969 CD ARG A 133 -9.493 -17.767 -9.997 1.00 3.16 C ATOM 1970 NE ARG A 133 -9.062 -19.012 -9.331 1.00 3.69 N ATOM 1971 CZ ARG A 133 -9.788 -19.649 -8.396 1.00 5.34 C ATOM 1972 NH1 ARG A 133 -11.102 -19.424 -8.301 1.00 6.28 N ATOM 1973 NH2 ARG A 133 -9.178 -20.485 -7.554 1.00 6.66 N ATOM 0 H ARG A 133 -3.922 -16.243 -10.679 1.00 1.65 H new ATOM 0 HA ARG A 133 -6.072 -15.849 -11.316 1.00 1.59 H new ATOM 0 HB2 ARG A 133 -6.651 -18.208 -10.317 1.00 1.64 H new ATOM 0 HB3 ARG A 133 -7.225 -17.280 -8.946 1.00 1.64 H new ATOM 0 HG2 ARG A 133 -8.604 -15.946 -10.759 1.00 2.46 H new ATOM 0 HG3 ARG A 133 -8.308 -17.353 -11.761 1.00 2.46 H new ATOM 0 HD2 ARG A 133 -9.933 -17.105 -9.251 1.00 3.16 H new ATOM 0 HD3 ARG A 133 -10.279 -18.007 -10.713 1.00 3.16 H new ATOM 0 HE ARG A 133 -8.162 -19.412 -9.595 1.00 3.69 H new ATOM 0 HH11 ARG A 133 -11.555 -18.769 -8.938 1.00 6.28 H new ATOM 0 HH12 ARG A 133 -11.652 -19.908 -7.591 1.00 6.28 H new ATOM 0 HH21 ARG A 133 -8.172 -20.635 -7.624 1.00 6.66 H new ATOM 0 HH22 ARG A 133 -9.718 -20.974 -6.840 1.00 6.66 H new ATOM 1987 N PRO A 134 -6.534 -13.786 -9.848 1.00 1.33 N ATOM 1988 CA PRO A 134 -6.676 -12.592 -9.025 1.00 1.13 C ATOM 1989 C PRO A 134 -7.927 -12.606 -8.152 1.00 0.98 C ATOM 1990 O PRO A 134 -7.896 -12.058 -7.054 1.00 0.93 O ATOM 1991 CB PRO A 134 -6.744 -11.409 -9.992 1.00 1.24 C ATOM 1992 CG PRO A 134 -7.246 -12.031 -11.298 1.00 1.47 C ATOM 1993 CD PRO A 134 -6.716 -13.464 -11.254 1.00 1.49 C ATOM 0 HA PRO A 134 -5.832 -12.531 -8.338 1.00 1.13 H new ATOM 0 HB2 PRO A 134 -7.422 -10.636 -9.631 1.00 1.24 H new ATOM 0 HB3 PRO A 134 -5.768 -10.942 -10.121 1.00 1.24 H new ATOM 0 HG2 PRO A 134 -8.334 -12.010 -11.358 1.00 1.47 H new ATOM 0 HG3 PRO A 134 -6.869 -11.493 -12.167 1.00 1.47 H new ATOM 0 HD2 PRO A 134 -7.418 -14.153 -11.724 1.00 1.49 H new ATOM 0 HD3 PRO A 134 -5.775 -13.548 -11.798 1.00 1.49 H new ATOM 2001 N TYR A 135 -9.040 -13.137 -8.649 1.00 1.08 N ATOM 2002 CA TYR A 135 -10.333 -13.039 -8.004 1.00 1.00 C ATOM 2003 C TYR A 135 -11.118 -14.284 -8.398 1.00 1.28 C ATOM 2004 O TYR A 135 -10.715 -14.939 -9.383 1.00 1.53 O ATOM 2005 CB TYR A 135 -11.026 -11.719 -8.401 1.00 0.86 C ATOM 2006 CG TYR A 135 -11.220 -11.459 -9.890 1.00 1.02 C ATOM 2007 CD1 TYR A 135 -12.034 -12.320 -10.644 1.00 2.62 C ATOM 2008 CD2 TYR A 135 -10.757 -10.266 -10.483 1.00 1.52 C ATOM 2009 CE1 TYR A 135 -12.377 -12.008 -11.962 1.00 3.04 C ATOM 2010 CE2 TYR A 135 -11.059 -9.976 -11.828 1.00 1.56 C ATOM 2011 CZ TYR A 135 -11.832 -10.880 -12.578 1.00 1.86 C ATOM 2012 OH TYR A 135 -11.959 -10.764 -13.927 1.00 2.39 O ATOM 2013 OXT TYR A 135 -12.195 -14.532 -7.821 1.00 2.54 O ATOM 0 H TYR A 135 -9.063 -13.655 -9.527 1.00 1.08 H new ATOM 0 HA TYR A 135 -10.252 -13.006 -6.918 1.00 1.00 H new ATOM 0 HB2 TYR A 135 -12.005 -11.693 -7.922 1.00 0.86 H new ATOM 0 HB3 TYR A 135 -10.447 -10.894 -7.986 1.00 0.86 H new ATOM 0 HD1 TYR A 135 -12.399 -13.234 -10.200 1.00 2.62 H new ATOM 0 HD2 TYR A 135 -10.168 -9.571 -9.903 1.00 1.52 H new ATOM 0 HE1 TYR A 135 -13.064 -12.640 -12.505 1.00 3.04 H new ATOM 0 HE2 TYR A 135 -10.699 -9.064 -12.281 1.00 1.56 H new ATOM 0 HH TYR A 135 -12.607 -10.059 -14.135 1.00 2.39 H new