USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 563 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 56 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 60 SER OG : rot 147:sc= 0.0623 USER MOD Single : A 1 GLY N :NH3+ -109:sc= 0.0885 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.026 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 8:sc= 0.61 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -3.1! C(o=-3.1!,f=-5.4!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -4.48! C(o=-4.5!,f=-6.3!) USER MOD Single : A 41 HIS : no HD1:sc= -1.32 K(o=-1.3,f=-0.61) USER MOD Single : A 46 THR OG1 : rot 83:sc= 1.12 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.062 K(o=-0.062,f=-1.1) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 136:sc= -1.3 (180deg=-3.86!) USER MOD Single : A 67 GLN : amide:sc= -0.0318 X(o=-0.032,f=-0.12) USER MOD Single : A 68 TYR OH : rot 98:sc= -0.493 USER MOD Single : A 70 GLN : amide:sc= -0.0841 X(o=-0.084,f=-0.46) USER MOD Single : A 73 SER OG : rot 43:sc= -0.153 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.588 -12.062 16.221 1.00 0.00 N ATOM 2 CA GLY A 1 2.789 -11.076 16.926 1.00 0.00 C ATOM 3 C GLY A 1 1.337 -11.492 17.056 1.00 0.00 C ATOM 4 O GLY A 1 0.913 -12.484 16.464 1.00 0.00 O ATOM 0 H1 GLY A 1 4.229 -12.533 16.891 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.962 -12.769 15.786 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.146 -11.591 15.480 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.208 -10.916 17.919 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.845 -10.123 16.399 1.00 0.00 H new ATOM 8 N SER A 2 0.574 -10.733 17.835 1.00 0.00 N ATOM 9 CA SER A 2 -0.838 -11.031 18.046 1.00 0.00 C ATOM 10 C SER A 2 -1.570 -11.164 16.715 1.00 0.00 C ATOM 11 O SER A 2 -2.160 -12.203 16.419 1.00 0.00 O ATOM 12 CB SER A 2 -1.491 -9.937 18.893 1.00 0.00 C ATOM 13 OG SER A 2 -1.232 -8.652 18.355 1.00 0.00 O ATOM 0 H SER A 2 0.909 -9.907 18.331 1.00 0.00 H new ATOM 0 HA SER A 2 -0.908 -11.981 18.576 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.567 -10.104 18.942 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.114 -9.990 19.914 1.00 0.00 H new ATOM 0 HG SER A 2 -1.662 -7.971 18.914 1.00 0.00 H new ATOM 19 N SER A 3 -1.528 -10.103 15.915 1.00 0.00 N ATOM 20 CA SER A 3 -2.190 -10.099 14.615 1.00 0.00 C ATOM 21 C SER A 3 -1.885 -11.380 13.846 1.00 0.00 C ATOM 22 O SER A 3 -2.774 -11.988 13.252 1.00 0.00 O ATOM 23 CB SER A 3 -1.749 -8.883 13.799 1.00 0.00 C ATOM 24 OG SER A 3 -0.340 -8.850 13.652 1.00 0.00 O ATOM 0 H SER A 3 -1.043 -9.235 16.144 1.00 0.00 H new ATOM 0 HA SER A 3 -3.266 -10.045 14.783 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.220 -8.911 12.816 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.088 -7.970 14.289 1.00 0.00 H new ATOM 0 HG SER A 3 -0.084 -8.064 13.125 1.00 0.00 H new ATOM 30 N GLY A 4 -0.618 -11.785 13.860 1.00 0.00 N ATOM 31 CA GLY A 4 -0.216 -12.991 13.160 1.00 0.00 C ATOM 32 C GLY A 4 0.425 -12.696 11.819 1.00 0.00 C ATOM 33 O GLY A 4 0.126 -13.355 10.822 1.00 0.00 O ATOM 0 H GLY A 4 0.137 -11.299 14.344 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.485 -13.550 13.779 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.088 -13.628 13.010 1.00 0.00 H new ATOM 37 N SER A 5 1.308 -11.703 11.792 1.00 0.00 N ATOM 38 CA SER A 5 1.989 -11.319 10.561 1.00 0.00 C ATOM 39 C SER A 5 0.984 -10.922 9.485 1.00 0.00 C ATOM 40 O SER A 5 1.128 -11.288 8.319 1.00 0.00 O ATOM 41 CB SER A 5 2.865 -12.468 10.058 1.00 0.00 C ATOM 42 OG SER A 5 3.874 -12.791 10.999 1.00 0.00 O ATOM 0 H SER A 5 1.569 -11.150 12.608 1.00 0.00 H new ATOM 0 HA SER A 5 2.621 -10.458 10.778 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.246 -13.345 9.869 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.324 -12.191 9.109 1.00 0.00 H new ATOM 0 HG SER A 5 4.419 -13.529 10.654 1.00 0.00 H new ATOM 48 N SER A 6 -0.036 -10.169 9.886 1.00 0.00 N ATOM 49 CA SER A 6 -1.069 -9.724 8.958 1.00 0.00 C ATOM 50 C SER A 6 -0.483 -8.798 7.896 1.00 0.00 C ATOM 51 O SER A 6 0.109 -7.768 8.214 1.00 0.00 O ATOM 52 CB SER A 6 -2.190 -9.008 9.714 1.00 0.00 C ATOM 53 OG SER A 6 -1.799 -7.697 10.082 1.00 0.00 O ATOM 0 H SER A 6 -0.169 -9.855 10.847 1.00 0.00 H new ATOM 0 HA SER A 6 -1.480 -10.603 8.462 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.083 -8.963 9.090 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.453 -9.577 10.606 1.00 0.00 H new ATOM 0 HG SER A 6 -0.937 -7.484 9.667 1.00 0.00 H new ATOM 59 N GLY A 7 -0.654 -9.174 6.632 1.00 0.00 N ATOM 60 CA GLY A 7 -0.137 -8.368 5.542 1.00 0.00 C ATOM 61 C GLY A 7 -1.235 -7.656 4.776 1.00 0.00 C ATOM 62 O GLY A 7 -1.470 -7.944 3.603 1.00 0.00 O ATOM 0 H GLY A 7 -1.141 -10.022 6.344 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.562 -7.631 5.939 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.425 -9.004 4.858 1.00 0.00 H new ATOM 66 N ASP A 8 -1.909 -6.724 5.442 1.00 0.00 N ATOM 67 CA ASP A 8 -2.988 -5.969 4.816 1.00 0.00 C ATOM 68 C ASP A 8 -2.450 -4.716 4.132 1.00 0.00 C ATOM 69 O ASP A 8 -1.510 -4.087 4.618 1.00 0.00 O ATOM 70 CB ASP A 8 -4.040 -5.584 5.858 1.00 0.00 C ATOM 71 CG ASP A 8 -4.926 -6.751 6.245 1.00 0.00 C ATOM 72 OD1 ASP A 8 -4.391 -7.862 6.447 1.00 0.00 O ATOM 73 OD2 ASP A 8 -6.155 -6.555 6.346 1.00 0.00 O ATOM 0 H ASP A 8 -1.727 -6.474 6.414 1.00 0.00 H new ATOM 0 HA ASP A 8 -3.451 -6.603 4.060 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.542 -5.199 6.748 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.658 -4.777 5.465 1.00 0.00 H new ATOM 78 N TYR A 9 -3.051 -4.361 3.002 1.00 0.00 N ATOM 79 CA TYR A 9 -2.630 -3.185 2.249 1.00 0.00 C ATOM 80 C TYR A 9 -2.541 -1.961 3.155 1.00 0.00 C ATOM 81 O TYR A 9 -1.544 -1.238 3.144 1.00 0.00 O ATOM 82 CB TYR A 9 -3.603 -2.914 1.101 1.00 0.00 C ATOM 83 CG TYR A 9 -3.726 -4.063 0.127 1.00 0.00 C ATOM 84 CD1 TYR A 9 -2.617 -4.823 -0.224 1.00 0.00 C ATOM 85 CD2 TYR A 9 -4.950 -4.389 -0.444 1.00 0.00 C ATOM 86 CE1 TYR A 9 -2.724 -5.874 -1.115 1.00 0.00 C ATOM 87 CE2 TYR A 9 -5.067 -5.439 -1.334 1.00 0.00 C ATOM 88 CZ TYR A 9 -3.951 -6.178 -1.666 1.00 0.00 C ATOM 89 OH TYR A 9 -4.063 -7.224 -2.553 1.00 0.00 O ATOM 0 H TYR A 9 -3.831 -4.870 2.587 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.640 -3.383 1.838 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.587 -2.693 1.515 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.277 -2.025 0.562 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.655 -4.588 0.207 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.826 -3.811 -0.187 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -1.852 -6.454 -1.378 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.027 -5.680 -1.767 1.00 0.00 H new ATOM 0 HH TYR A 9 -4.994 -7.305 -2.847 1.00 0.00 H new ATOM 99 N TYR A 10 -3.589 -1.736 3.940 1.00 0.00 N ATOM 100 CA TYR A 10 -3.631 -0.599 4.851 1.00 0.00 C ATOM 101 C TYR A 10 -2.389 -0.564 5.736 1.00 0.00 C ATOM 102 O TYR A 10 -1.844 0.503 6.017 1.00 0.00 O ATOM 103 CB TYR A 10 -4.888 -0.662 5.720 1.00 0.00 C ATOM 104 CG TYR A 10 -6.153 -0.282 4.984 1.00 0.00 C ATOM 105 CD1 TYR A 10 -6.241 0.914 4.284 1.00 0.00 C ATOM 106 CD2 TYR A 10 -7.260 -1.122 4.987 1.00 0.00 C ATOM 107 CE1 TYR A 10 -7.394 1.265 3.610 1.00 0.00 C ATOM 108 CE2 TYR A 10 -8.418 -0.780 4.315 1.00 0.00 C ATOM 109 CZ TYR A 10 -8.480 0.415 3.629 1.00 0.00 C ATOM 110 OH TYR A 10 -9.631 0.760 2.958 1.00 0.00 O ATOM 0 H TYR A 10 -4.421 -2.326 3.963 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.655 0.312 4.254 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.997 -1.672 6.114 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.762 0.002 6.575 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -5.392 1.582 4.266 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -7.215 -2.058 5.524 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.445 2.200 3.071 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -9.269 -1.444 4.327 1.00 0.00 H new ATOM 0 HH TYR A 10 -10.300 0.052 3.070 1.00 0.00 H new ATOM 120 N GLU A 11 -1.947 -1.739 6.172 1.00 0.00 N ATOM 121 CA GLU A 11 -0.769 -1.844 7.025 1.00 0.00 C ATOM 122 C GLU A 11 0.503 -1.554 6.234 1.00 0.00 C ATOM 123 O GLU A 11 1.326 -0.733 6.641 1.00 0.00 O ATOM 124 CB GLU A 11 -0.687 -3.238 7.651 1.00 0.00 C ATOM 125 CG GLU A 11 -1.844 -3.555 8.583 1.00 0.00 C ATOM 126 CD GLU A 11 -1.741 -2.827 9.909 1.00 0.00 C ATOM 127 OE1 GLU A 11 -2.103 -1.632 9.959 1.00 0.00 O ATOM 128 OE2 GLU A 11 -1.299 -3.450 10.897 1.00 0.00 O ATOM 0 H GLU A 11 -2.387 -2.632 5.949 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.860 -1.102 7.819 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.657 -3.983 6.856 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.248 -3.324 8.204 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.782 -3.286 8.097 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.876 -4.629 8.764 1.00 0.00 H new ATOM 135 N ILE A 12 0.657 -2.233 5.102 1.00 0.00 N ATOM 136 CA ILE A 12 1.828 -2.048 4.254 1.00 0.00 C ATOM 137 C ILE A 12 2.161 -0.569 4.092 1.00 0.00 C ATOM 138 O ILE A 12 3.331 -0.185 4.056 1.00 0.00 O ATOM 139 CB ILE A 12 1.618 -2.671 2.861 1.00 0.00 C ATOM 140 CG1 ILE A 12 1.333 -4.169 2.986 1.00 0.00 C ATOM 141 CG2 ILE A 12 2.838 -2.431 1.984 1.00 0.00 C ATOM 142 CD1 ILE A 12 0.999 -4.833 1.669 1.00 0.00 C ATOM 0 H ILE A 12 -0.014 -2.916 4.751 1.00 0.00 H new ATOM 0 HA ILE A 12 2.658 -2.553 4.748 1.00 0.00 H new ATOM 0 HB ILE A 12 0.757 -2.194 2.392 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.203 -4.661 3.421 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.504 -4.316 3.678 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.674 -2.877 1.003 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.001 -1.359 1.873 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.714 -2.885 2.447 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.809 -5.894 1.834 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.111 -4.367 1.242 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.836 -4.717 0.981 1.00 0.00 H new ATOM 154 N LEU A 13 1.126 0.258 3.996 1.00 0.00 N ATOM 155 CA LEU A 13 1.309 1.697 3.839 1.00 0.00 C ATOM 156 C LEU A 13 1.386 2.387 5.197 1.00 0.00 C ATOM 157 O LEU A 13 2.130 3.350 5.374 1.00 0.00 O ATOM 158 CB LEU A 13 0.162 2.289 3.018 1.00 0.00 C ATOM 159 CG LEU A 13 -0.148 1.588 1.695 1.00 0.00 C ATOM 160 CD1 LEU A 13 -1.552 1.934 1.223 1.00 0.00 C ATOM 161 CD2 LEU A 13 0.880 1.965 0.638 1.00 0.00 C ATOM 0 H LEU A 13 0.152 -0.043 4.024 1.00 0.00 H new ATOM 0 HA LEU A 13 2.249 1.864 3.313 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.739 2.280 3.631 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.394 3.333 2.807 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.096 0.511 1.856 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.754 1.426 0.280 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.277 1.613 1.971 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.632 3.011 1.079 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.644 1.457 -0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.861 3.043 0.480 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.873 1.665 0.973 1.00 0.00 H new ATOM 173 N GLY A 14 0.612 1.885 6.155 1.00 0.00 N ATOM 174 CA GLY A 14 0.609 2.464 7.486 1.00 0.00 C ATOM 175 C GLY A 14 -0.530 3.443 7.690 1.00 0.00 C ATOM 176 O GLY A 14 -0.309 4.597 8.057 1.00 0.00 O ATOM 0 H GLY A 14 -0.013 1.088 6.033 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.535 1.667 8.226 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.557 2.973 7.659 1.00 0.00 H new ATOM 180 N VAL A 15 -1.754 2.983 7.449 1.00 0.00 N ATOM 181 CA VAL A 15 -2.933 3.826 7.608 1.00 0.00 C ATOM 182 C VAL A 15 -4.091 3.042 8.215 1.00 0.00 C ATOM 183 O VAL A 15 -3.994 1.833 8.425 1.00 0.00 O ATOM 184 CB VAL A 15 -3.381 4.423 6.261 1.00 0.00 C ATOM 185 CG1 VAL A 15 -2.262 5.248 5.644 1.00 0.00 C ATOM 186 CG2 VAL A 15 -3.828 3.321 5.312 1.00 0.00 C ATOM 0 H VAL A 15 -1.955 2.031 7.143 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.655 4.637 8.282 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.230 5.083 6.440 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.597 5.662 4.693 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.994 6.061 6.319 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.392 4.613 5.477 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.141 3.761 4.365 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.000 2.634 5.137 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.663 2.777 5.753 1.00 0.00 H new ATOM 196 N SER A 16 -5.188 3.740 8.494 1.00 0.00 N ATOM 197 CA SER A 16 -6.365 3.110 9.081 1.00 0.00 C ATOM 198 C SER A 16 -7.253 2.504 7.998 1.00 0.00 C ATOM 199 O SER A 16 -7.102 2.807 6.814 1.00 0.00 O ATOM 200 CB SER A 16 -7.162 4.130 9.897 1.00 0.00 C ATOM 201 OG SER A 16 -6.575 4.333 11.171 1.00 0.00 O ATOM 0 H SER A 16 -5.286 4.741 8.323 1.00 0.00 H new ATOM 0 HA SER A 16 -6.028 2.311 9.741 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.207 5.077 9.358 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.188 3.783 10.017 1.00 0.00 H new ATOM 0 HG SER A 16 -7.101 4.990 11.673 1.00 0.00 H new ATOM 207 N ARG A 17 -8.179 1.645 8.413 1.00 0.00 N ATOM 208 CA ARG A 17 -9.090 0.994 7.479 1.00 0.00 C ATOM 209 C ARG A 17 -10.186 1.956 7.030 1.00 0.00 C ATOM 210 O ARG A 17 -11.161 2.181 7.746 1.00 0.00 O ATOM 211 CB ARG A 17 -9.716 -0.244 8.124 1.00 0.00 C ATOM 212 CG ARG A 17 -8.787 -1.446 8.162 1.00 0.00 C ATOM 213 CD ARG A 17 -7.741 -1.307 9.257 1.00 0.00 C ATOM 214 NE ARG A 17 -8.335 -1.340 10.590 1.00 0.00 N ATOM 215 CZ ARG A 17 -8.804 -2.446 11.158 1.00 0.00 C ATOM 216 NH1 ARG A 17 -8.748 -3.602 10.512 1.00 0.00 N ATOM 217 NH2 ARG A 17 -9.331 -2.396 12.375 1.00 0.00 N ATOM 0 H ARG A 17 -8.318 1.384 9.389 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.517 0.689 6.604 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.021 0.001 9.141 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.620 -0.511 7.576 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.370 -2.352 8.327 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.293 -1.556 7.197 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -7.012 -2.112 9.165 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.200 -0.370 9.124 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.393 -0.467 11.114 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -8.344 -3.644 9.576 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -9.109 -4.449 10.951 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -9.376 -1.508 12.875 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -9.691 -3.245 12.810 1.00 0.00 H new ATOM 231 N GLY A 18 -10.018 2.522 5.838 1.00 0.00 N ATOM 232 CA GLY A 18 -11.000 3.453 5.314 1.00 0.00 C ATOM 233 C GLY A 18 -10.395 4.800 4.969 1.00 0.00 C ATOM 234 O GLY A 18 -11.112 5.787 4.809 1.00 0.00 O ATOM 0 H GLY A 18 -9.219 2.352 5.227 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.462 3.027 4.423 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.793 3.592 6.049 1.00 0.00 H new ATOM 238 N ALA A 19 -9.072 4.841 4.856 1.00 0.00 N ATOM 239 CA ALA A 19 -8.371 6.076 4.527 1.00 0.00 C ATOM 240 C ALA A 19 -8.676 6.517 3.100 1.00 0.00 C ATOM 241 O ALA A 19 -8.569 5.730 2.160 1.00 0.00 O ATOM 242 CB ALA A 19 -6.872 5.899 4.719 1.00 0.00 C ATOM 0 H ALA A 19 -8.464 4.033 4.987 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.723 6.856 5.203 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.361 6.829 4.470 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.666 5.639 5.757 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.513 5.102 4.068 1.00 0.00 H new ATOM 248 N SER A 20 -9.056 7.782 2.945 1.00 0.00 N ATOM 249 CA SER A 20 -9.381 8.327 1.632 1.00 0.00 C ATOM 250 C SER A 20 -8.161 8.299 0.715 1.00 0.00 C ATOM 251 O SER A 20 -7.047 8.015 1.155 1.00 0.00 O ATOM 252 CB SER A 20 -9.901 9.759 1.765 1.00 0.00 C ATOM 253 OG SER A 20 -8.851 10.654 2.090 1.00 0.00 O ATOM 0 H SER A 20 -9.146 8.448 3.712 1.00 0.00 H new ATOM 0 HA SER A 20 -10.160 7.705 1.190 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.370 10.067 0.831 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.670 9.800 2.536 1.00 0.00 H new ATOM 0 HG SER A 20 -9.208 11.563 2.168 1.00 0.00 H new ATOM 259 N ASP A 21 -8.381 8.596 -0.561 1.00 0.00 N ATOM 260 CA ASP A 21 -7.301 8.607 -1.540 1.00 0.00 C ATOM 261 C ASP A 21 -6.096 9.377 -1.012 1.00 0.00 C ATOM 262 O ASP A 21 -5.030 8.804 -0.788 1.00 0.00 O ATOM 263 CB ASP A 21 -7.782 9.225 -2.854 1.00 0.00 C ATOM 264 CG ASP A 21 -8.958 8.477 -3.451 1.00 0.00 C ATOM 265 OD1 ASP A 21 -9.724 7.862 -2.679 1.00 0.00 O ATOM 266 OD2 ASP A 21 -9.112 8.507 -4.689 1.00 0.00 O ATOM 0 H ASP A 21 -9.297 8.832 -0.941 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.998 7.576 -1.722 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.066 10.263 -2.681 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.960 9.234 -3.570 1.00 0.00 H new ATOM 271 N GLU A 22 -6.272 10.680 -0.816 1.00 0.00 N ATOM 272 CA GLU A 22 -5.197 11.529 -0.315 1.00 0.00 C ATOM 273 C GLU A 22 -4.363 10.792 0.728 1.00 0.00 C ATOM 274 O GLU A 22 -3.156 10.615 0.561 1.00 0.00 O ATOM 275 CB GLU A 22 -5.771 12.813 0.289 1.00 0.00 C ATOM 276 CG GLU A 22 -4.840 14.008 0.174 1.00 0.00 C ATOM 277 CD GLU A 22 -5.023 14.768 -1.125 1.00 0.00 C ATOM 278 OE1 GLU A 22 -5.028 14.122 -2.194 1.00 0.00 O ATOM 279 OE2 GLU A 22 -5.162 16.008 -1.073 1.00 0.00 O ATOM 0 H GLU A 22 -7.148 11.170 -0.996 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.551 11.788 -1.154 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.713 13.048 -0.206 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.998 12.640 1.341 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.015 14.682 1.013 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.807 13.668 0.249 1.00 0.00 H new ATOM 286 N ASP A 23 -5.014 10.365 1.804 1.00 0.00 N ATOM 287 CA ASP A 23 -4.333 9.646 2.875 1.00 0.00 C ATOM 288 C ASP A 23 -3.458 8.531 2.310 1.00 0.00 C ATOM 289 O ASP A 23 -2.268 8.446 2.617 1.00 0.00 O ATOM 290 CB ASP A 23 -5.352 9.064 3.856 1.00 0.00 C ATOM 291 CG ASP A 23 -4.803 8.957 5.265 1.00 0.00 C ATOM 292 OD1 ASP A 23 -3.605 8.638 5.413 1.00 0.00 O ATOM 293 OD2 ASP A 23 -5.572 9.192 6.220 1.00 0.00 O ATOM 0 H ASP A 23 -6.013 10.504 1.958 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.694 10.353 3.404 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.244 9.691 3.863 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.659 8.076 3.513 1.00 0.00 H new ATOM 298 N LEU A 24 -4.055 7.678 1.485 1.00 0.00 N ATOM 299 CA LEU A 24 -3.331 6.567 0.878 1.00 0.00 C ATOM 300 C LEU A 24 -2.144 7.071 0.063 1.00 0.00 C ATOM 301 O LEU A 24 -1.065 6.478 0.084 1.00 0.00 O ATOM 302 CB LEU A 24 -4.266 5.749 -0.014 1.00 0.00 C ATOM 303 CG LEU A 24 -5.526 5.202 0.658 1.00 0.00 C ATOM 304 CD1 LEU A 24 -6.618 4.960 -0.372 1.00 0.00 C ATOM 305 CD2 LEU A 24 -5.212 3.920 1.416 1.00 0.00 C ATOM 0 H LEU A 24 -5.039 7.735 1.221 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.955 5.931 1.679 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.569 6.371 -0.856 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.703 4.910 -0.423 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.886 5.944 1.371 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.507 4.571 0.125 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.862 5.898 -0.871 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.269 4.237 -1.110 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.120 3.545 1.888 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.828 3.172 0.722 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.463 4.124 2.181 1.00 0.00 H new ATOM 317 N LYS A 25 -2.350 8.171 -0.654 1.00 0.00 N ATOM 318 CA LYS A 25 -1.297 8.758 -1.474 1.00 0.00 C ATOM 319 C LYS A 25 -0.166 9.296 -0.604 1.00 0.00 C ATOM 320 O LYS A 25 0.935 8.744 -0.588 1.00 0.00 O ATOM 321 CB LYS A 25 -1.866 9.884 -2.341 1.00 0.00 C ATOM 322 CG LYS A 25 -0.910 10.362 -3.421 1.00 0.00 C ATOM 323 CD LYS A 25 -1.348 11.695 -4.002 1.00 0.00 C ATOM 324 CE LYS A 25 -2.331 11.508 -5.148 1.00 0.00 C ATOM 325 NZ LYS A 25 -3.086 12.758 -5.441 1.00 0.00 N ATOM 0 H LYS A 25 -3.237 8.674 -0.684 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.896 7.977 -2.119 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.788 9.540 -2.810 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.129 10.726 -1.701 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.093 10.457 -3.004 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.856 9.618 -4.216 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.809 12.300 -3.221 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.475 12.243 -4.356 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.792 11.192 -6.041 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.031 10.711 -4.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.745 12.589 -6.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.621 13.046 -4.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.420 13.512 -5.703 1.00 0.00 H new ATOM 339 N LYS A 26 -0.444 10.374 0.121 1.00 0.00 N ATOM 340 CA LYS A 26 0.549 10.985 0.997 1.00 0.00 C ATOM 341 C LYS A 26 1.390 9.919 1.693 1.00 0.00 C ATOM 342 O LYS A 26 2.616 9.916 1.588 1.00 0.00 O ATOM 343 CB LYS A 26 -0.136 11.870 2.040 1.00 0.00 C ATOM 344 CG LYS A 26 -0.877 13.053 1.441 1.00 0.00 C ATOM 345 CD LYS A 26 -1.204 14.098 2.494 1.00 0.00 C ATOM 346 CE LYS A 26 -2.230 15.099 1.987 1.00 0.00 C ATOM 347 NZ LYS A 26 -2.130 16.405 2.696 1.00 0.00 N ATOM 0 H LYS A 26 -1.350 10.843 0.119 1.00 0.00 H new ATOM 0 HA LYS A 26 1.208 11.600 0.384 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.838 11.265 2.613 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.613 12.238 2.741 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.270 13.504 0.656 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.798 12.707 0.972 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.585 13.607 3.389 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.293 14.623 2.782 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.087 15.255 0.918 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.232 14.690 2.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.846 17.059 2.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.291 16.261 3.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.183 16.808 2.549 1.00 0.00 H new ATOM 361 N ALA A 27 0.722 9.015 2.403 1.00 0.00 N ATOM 362 CA ALA A 27 1.408 7.943 3.113 1.00 0.00 C ATOM 363 C ALA A 27 2.217 7.078 2.152 1.00 0.00 C ATOM 364 O ALA A 27 3.397 6.812 2.384 1.00 0.00 O ATOM 365 CB ALA A 27 0.406 7.091 3.877 1.00 0.00 C ATOM 0 H ALA A 27 -0.293 9.004 2.501 1.00 0.00 H new ATOM 0 HA ALA A 27 2.100 8.395 3.823 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.932 6.294 4.403 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.125 7.712 4.598 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.308 6.655 3.178 1.00 0.00 H new ATOM 371 N TYR A 28 1.576 6.641 1.074 1.00 0.00 N ATOM 372 CA TYR A 28 2.235 5.803 0.079 1.00 0.00 C ATOM 373 C TYR A 28 3.558 6.422 -0.364 1.00 0.00 C ATOM 374 O TYR A 28 4.597 5.762 -0.361 1.00 0.00 O ATOM 375 CB TYR A 28 1.324 5.600 -1.132 1.00 0.00 C ATOM 376 CG TYR A 28 1.999 4.896 -2.287 1.00 0.00 C ATOM 377 CD1 TYR A 28 2.777 3.764 -2.078 1.00 0.00 C ATOM 378 CD2 TYR A 28 1.859 5.363 -3.588 1.00 0.00 C ATOM 379 CE1 TYR A 28 3.397 3.118 -3.130 1.00 0.00 C ATOM 380 CE2 TYR A 28 2.474 4.723 -4.647 1.00 0.00 C ATOM 381 CZ TYR A 28 3.243 3.601 -4.413 1.00 0.00 C ATOM 382 OH TYR A 28 3.857 2.961 -5.464 1.00 0.00 O ATOM 0 H TYR A 28 0.600 6.853 0.867 1.00 0.00 H new ATOM 0 HA TYR A 28 2.442 4.835 0.536 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.451 5.023 -0.826 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.962 6.571 -1.471 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.899 3.382 -1.075 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.259 6.241 -3.775 1.00 0.00 H new ATOM 0 HE1 TYR A 28 3.999 2.240 -2.949 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.354 5.099 -5.652 1.00 0.00 H new ATOM 0 HH TYR A 28 3.646 3.428 -6.299 1.00 0.00 H new ATOM 392 N ARG A 29 3.510 7.695 -0.744 1.00 0.00 N ATOM 393 CA ARG A 29 4.703 8.404 -1.191 1.00 0.00 C ATOM 394 C ARG A 29 5.783 8.382 -0.114 1.00 0.00 C ATOM 395 O ARG A 29 6.825 7.747 -0.279 1.00 0.00 O ATOM 396 CB ARG A 29 4.357 9.850 -1.552 1.00 0.00 C ATOM 397 CG ARG A 29 3.453 9.974 -2.767 1.00 0.00 C ATOM 398 CD ARG A 29 3.169 11.430 -3.104 1.00 0.00 C ATOM 399 NE ARG A 29 2.007 11.942 -2.382 1.00 0.00 N ATOM 400 CZ ARG A 29 1.330 13.023 -2.752 1.00 0.00 C ATOM 401 NH1 ARG A 29 1.697 13.703 -3.830 1.00 0.00 N ATOM 402 NH2 ARG A 29 0.283 13.427 -2.044 1.00 0.00 N ATOM 0 H ARG A 29 2.658 8.256 -0.751 1.00 0.00 H new ATOM 0 HA ARG A 29 5.087 7.897 -2.077 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.871 10.322 -0.698 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.280 10.400 -1.738 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.922 9.486 -3.622 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.514 9.453 -2.578 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.042 12.035 -2.861 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.001 11.528 -4.177 1.00 0.00 H new ATOM 0 HE ARG A 29 1.699 11.442 -1.548 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.501 13.396 -4.377 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.175 14.533 -4.112 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.003 12.907 -1.214 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.236 14.257 -2.329 1.00 0.00 H new ATOM 416 N ARG A 30 5.528 9.080 0.988 1.00 0.00 N ATOM 417 CA ARG A 30 6.479 9.142 2.091 1.00 0.00 C ATOM 418 C ARG A 30 7.227 7.820 2.239 1.00 0.00 C ATOM 419 O ARG A 30 8.396 7.796 2.627 1.00 0.00 O ATOM 420 CB ARG A 30 5.757 9.481 3.397 1.00 0.00 C ATOM 421 CG ARG A 30 6.640 9.364 4.629 1.00 0.00 C ATOM 422 CD ARG A 30 6.097 10.191 5.783 1.00 0.00 C ATOM 423 NE ARG A 30 7.154 10.614 6.698 1.00 0.00 N ATOM 424 CZ ARG A 30 6.942 11.383 7.760 1.00 0.00 C ATOM 425 NH1 ARG A 30 5.718 11.809 8.041 1.00 0.00 N ATOM 426 NH2 ARG A 30 7.956 11.725 8.545 1.00 0.00 N ATOM 0 H ARG A 30 4.670 9.611 1.141 1.00 0.00 H new ATOM 0 HA ARG A 30 7.203 9.926 1.870 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.368 10.497 3.334 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.899 8.818 3.511 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.710 8.319 4.930 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.650 9.694 4.387 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.585 11.069 5.390 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.356 9.608 6.330 1.00 0.00 H new ATOM 0 HE ARG A 30 8.107 10.302 6.511 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.936 11.546 7.441 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.558 12.399 8.857 1.00 0.00 H new ATOM 0 HH21 ARG A 30 8.898 11.397 8.333 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.793 12.316 9.361 1.00 0.00 H new ATOM 440 N LEU A 31 6.545 6.723 1.929 1.00 0.00 N ATOM 441 CA LEU A 31 7.144 5.397 2.027 1.00 0.00 C ATOM 442 C LEU A 31 7.993 5.090 0.797 1.00 0.00 C ATOM 443 O LEU A 31 9.186 4.810 0.909 1.00 0.00 O ATOM 444 CB LEU A 31 6.056 4.334 2.188 1.00 0.00 C ATOM 445 CG LEU A 31 5.161 4.470 3.421 1.00 0.00 C ATOM 446 CD1 LEU A 31 3.977 3.521 3.329 1.00 0.00 C ATOM 447 CD2 LEU A 31 5.960 4.210 4.690 1.00 0.00 C ATOM 0 H LEU A 31 5.577 6.726 1.608 1.00 0.00 H new ATOM 0 HA LEU A 31 7.790 5.382 2.905 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.423 4.353 1.301 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.534 3.355 2.217 1.00 0.00 H new ATOM 0 HG LEU A 31 4.779 5.490 3.459 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.352 3.632 4.215 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.391 3.755 2.440 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.338 2.494 3.266 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.308 4.311 5.558 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.371 3.201 4.661 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.774 4.932 4.762 1.00 0.00 H new ATOM 459 N ALA A 32 7.369 5.146 -0.375 1.00 0.00 N ATOM 460 CA ALA A 32 8.068 4.878 -1.626 1.00 0.00 C ATOM 461 C ALA A 32 9.403 5.614 -1.677 1.00 0.00 C ATOM 462 O ALA A 32 10.432 5.030 -2.019 1.00 0.00 O ATOM 463 CB ALA A 32 7.199 5.273 -2.810 1.00 0.00 C ATOM 0 H ALA A 32 6.381 5.374 -0.484 1.00 0.00 H new ATOM 0 HA ALA A 32 8.271 3.808 -1.679 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.733 5.068 -3.738 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.273 4.698 -2.789 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.967 6.337 -2.753 1.00 0.00 H new ATOM 469 N LEU A 33 9.378 6.898 -1.337 1.00 0.00 N ATOM 470 CA LEU A 33 10.587 7.714 -1.346 1.00 0.00 C ATOM 471 C LEU A 33 11.600 7.199 -0.328 1.00 0.00 C ATOM 472 O LEU A 33 12.806 7.382 -0.489 1.00 0.00 O ATOM 473 CB LEU A 33 10.242 9.174 -1.044 1.00 0.00 C ATOM 474 CG LEU A 33 9.650 9.977 -2.203 1.00 0.00 C ATOM 475 CD1 LEU A 33 10.653 10.090 -3.341 1.00 0.00 C ATOM 476 CD2 LEU A 33 8.358 9.338 -2.690 1.00 0.00 C ATOM 0 H LEU A 33 8.535 7.396 -1.052 1.00 0.00 H new ATOM 0 HA LEU A 33 11.032 7.649 -2.339 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.535 9.195 -0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 33 11.147 9.678 -0.704 1.00 0.00 H new ATOM 0 HG LEU A 33 9.422 10.981 -1.845 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.214 10.665 -4.157 1.00 0.00 H new ATOM 0 HD12 LEU A 33 11.552 10.593 -2.985 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.912 9.093 -3.698 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.951 9.923 -3.515 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.560 8.322 -3.030 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.636 9.310 -1.874 1.00 0.00 H new ATOM 488 N LYS A 34 11.101 6.551 0.719 1.00 0.00 N ATOM 489 CA LYS A 34 11.961 6.005 1.762 1.00 0.00 C ATOM 490 C LYS A 34 12.626 4.713 1.297 1.00 0.00 C ATOM 491 O LYS A 34 13.777 4.439 1.638 1.00 0.00 O ATOM 492 CB LYS A 34 11.152 5.744 3.035 1.00 0.00 C ATOM 493 CG LYS A 34 11.935 5.020 4.116 1.00 0.00 C ATOM 494 CD LYS A 34 11.028 4.157 4.978 1.00 0.00 C ATOM 495 CE LYS A 34 10.097 5.005 5.830 1.00 0.00 C ATOM 496 NZ LYS A 34 10.755 5.461 7.086 1.00 0.00 N ATOM 0 H LYS A 34 10.105 6.391 0.868 1.00 0.00 H new ATOM 0 HA LYS A 34 12.739 6.738 1.977 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.797 6.695 3.431 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.270 5.155 2.781 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.702 4.397 3.656 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.450 5.748 4.743 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.439 3.497 4.341 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.634 3.521 5.623 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.769 5.872 5.257 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.205 4.429 6.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.087 6.036 7.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.046 4.634 7.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.592 6.032 6.852 1.00 0.00 H new ATOM 510 N PHE A 35 11.896 3.924 0.516 1.00 0.00 N ATOM 511 CA PHE A 35 12.417 2.662 0.004 1.00 0.00 C ATOM 512 C PHE A 35 12.932 2.825 -1.423 1.00 0.00 C ATOM 513 O PHE A 35 13.578 1.929 -1.968 1.00 0.00 O ATOM 514 CB PHE A 35 11.331 1.584 0.046 1.00 0.00 C ATOM 515 CG PHE A 35 10.858 1.264 1.435 1.00 0.00 C ATOM 516 CD1 PHE A 35 11.541 0.349 2.220 1.00 0.00 C ATOM 517 CD2 PHE A 35 9.730 1.878 1.956 1.00 0.00 C ATOM 518 CE1 PHE A 35 11.108 0.052 3.499 1.00 0.00 C ATOM 519 CE2 PHE A 35 9.293 1.586 3.234 1.00 0.00 C ATOM 520 CZ PHE A 35 9.982 0.671 4.006 1.00 0.00 C ATOM 0 H PHE A 35 10.942 4.136 0.224 1.00 0.00 H new ATOM 0 HA PHE A 35 13.249 2.356 0.639 1.00 0.00 H new ATOM 0 HB2 PHE A 35 10.481 1.912 -0.552 1.00 0.00 H new ATOM 0 HB3 PHE A 35 11.714 0.675 -0.417 1.00 0.00 H new ATOM 0 HD1 PHE A 35 12.422 -0.138 1.828 1.00 0.00 H new ATOM 0 HD2 PHE A 35 9.186 2.593 1.356 1.00 0.00 H new ATOM 0 HE1 PHE A 35 11.649 -0.663 4.101 1.00 0.00 H new ATOM 0 HE2 PHE A 35 8.414 2.073 3.629 1.00 0.00 H new ATOM 0 HZ PHE A 35 9.641 0.440 5.004 1.00 0.00 H new ATOM 530 N HIS A 36 12.642 3.975 -2.023 1.00 0.00 N ATOM 531 CA HIS A 36 13.075 4.257 -3.387 1.00 0.00 C ATOM 532 C HIS A 36 14.552 3.916 -3.569 1.00 0.00 C ATOM 533 O HIS A 36 15.381 4.152 -2.690 1.00 0.00 O ATOM 534 CB HIS A 36 12.833 5.727 -3.728 1.00 0.00 C ATOM 535 CG HIS A 36 12.550 5.966 -5.179 1.00 0.00 C ATOM 536 ND1 HIS A 36 13.422 6.630 -6.017 1.00 0.00 N ATOM 537 CD2 HIS A 36 11.485 5.625 -5.941 1.00 0.00 C ATOM 538 CE1 HIS A 36 12.905 6.688 -7.231 1.00 0.00 C ATOM 539 NE2 HIS A 36 11.729 6.085 -7.212 1.00 0.00 N ATOM 0 H HIS A 36 12.109 4.727 -1.586 1.00 0.00 H new ATOM 0 HA HIS A 36 12.490 3.634 -4.064 1.00 0.00 H new ATOM 0 HB2 HIS A 36 11.994 6.095 -3.137 1.00 0.00 H new ATOM 0 HB3 HIS A 36 13.708 6.308 -3.436 1.00 0.00 H new ATOM 0 HD2 HIS A 36 10.606 5.090 -5.611 1.00 0.00 H new ATOM 0 HE1 HIS A 36 13.365 7.149 -8.092 1.00 0.00 H new ATOM 0 HE2 HIS A 36 11.104 5.979 -8.011 1.00 0.00 H new ATOM 547 N PRO A 37 14.889 3.348 -4.736 1.00 0.00 N ATOM 548 CA PRO A 37 16.266 2.962 -5.060 1.00 0.00 C ATOM 549 C PRO A 37 17.170 4.171 -5.275 1.00 0.00 C ATOM 550 O PRO A 37 18.379 4.101 -5.052 1.00 0.00 O ATOM 551 CB PRO A 37 16.115 2.169 -6.360 1.00 0.00 C ATOM 552 CG PRO A 37 14.860 2.683 -6.975 1.00 0.00 C ATOM 553 CD PRO A 37 13.952 3.037 -5.829 1.00 0.00 C ATOM 0 HA PRO A 37 16.733 2.398 -4.253 1.00 0.00 H new ATOM 0 HB2 PRO A 37 16.970 2.322 -7.019 1.00 0.00 H new ATOM 0 HB3 PRO A 37 16.051 1.098 -6.165 1.00 0.00 H new ATOM 0 HG2 PRO A 37 15.059 3.555 -7.598 1.00 0.00 H new ATOM 0 HG3 PRO A 37 14.403 1.930 -7.617 1.00 0.00 H new ATOM 0 HD2 PRO A 37 13.316 3.889 -6.068 1.00 0.00 H new ATOM 0 HD3 PRO A 37 13.291 2.210 -5.569 1.00 0.00 H new ATOM 561 N ASP A 38 16.578 5.278 -5.709 1.00 0.00 N ATOM 562 CA ASP A 38 17.330 6.503 -5.953 1.00 0.00 C ATOM 563 C ASP A 38 17.656 7.211 -4.641 1.00 0.00 C ATOM 564 O ASP A 38 18.742 7.767 -4.476 1.00 0.00 O ATOM 565 CB ASP A 38 16.540 7.438 -6.869 1.00 0.00 C ATOM 566 CG ASP A 38 17.324 8.681 -7.244 1.00 0.00 C ATOM 567 OD1 ASP A 38 18.536 8.557 -7.520 1.00 0.00 O ATOM 568 OD2 ASP A 38 16.726 9.777 -7.261 1.00 0.00 O ATOM 0 H ASP A 38 15.579 5.352 -5.899 1.00 0.00 H new ATOM 0 HA ASP A 38 18.266 6.234 -6.442 1.00 0.00 H new ATOM 0 HB2 ASP A 38 16.259 6.902 -7.776 1.00 0.00 H new ATOM 0 HB3 ASP A 38 15.615 7.732 -6.373 1.00 0.00 H new ATOM 573 N LYS A 39 16.708 7.187 -3.711 1.00 0.00 N ATOM 574 CA LYS A 39 16.893 7.826 -2.413 1.00 0.00 C ATOM 575 C LYS A 39 17.628 6.899 -1.450 1.00 0.00 C ATOM 576 O LYS A 39 18.441 7.347 -0.643 1.00 0.00 O ATOM 577 CB LYS A 39 15.539 8.224 -1.820 1.00 0.00 C ATOM 578 CG LYS A 39 14.908 9.427 -2.500 1.00 0.00 C ATOM 579 CD LYS A 39 14.020 10.206 -1.544 1.00 0.00 C ATOM 580 CE LYS A 39 13.811 11.636 -2.018 1.00 0.00 C ATOM 581 NZ LYS A 39 14.886 12.545 -1.533 1.00 0.00 N ATOM 0 H LYS A 39 15.803 6.732 -3.832 1.00 0.00 H new ATOM 0 HA LYS A 39 17.497 8.722 -2.560 1.00 0.00 H new ATOM 0 HB2 LYS A 39 14.857 7.377 -1.892 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.666 8.442 -0.759 1.00 0.00 H new ATOM 0 HG2 LYS A 39 15.691 10.080 -2.885 1.00 0.00 H new ATOM 0 HG3 LYS A 39 14.320 9.095 -3.356 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.055 9.707 -1.453 1.00 0.00 H new ATOM 0 HD3 LYS A 39 14.470 10.213 -0.551 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.782 11.657 -3.107 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.844 11.997 -1.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.707 13.510 -1.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 14.897 12.545 -0.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 15.806 12.216 -1.889 1.00 0.00 H new ATOM 595 N ASN A 40 17.337 5.606 -1.543 1.00 0.00 N ATOM 596 CA ASN A 40 17.972 4.616 -0.680 1.00 0.00 C ATOM 597 C ASN A 40 18.955 3.756 -1.470 1.00 0.00 C ATOM 598 O ASN A 40 18.636 3.268 -2.554 1.00 0.00 O ATOM 599 CB ASN A 40 16.914 3.728 -0.023 1.00 0.00 C ATOM 600 CG ASN A 40 17.435 3.029 1.218 1.00 0.00 C ATOM 601 OD1 ASN A 40 18.636 3.028 1.485 1.00 0.00 O ATOM 602 ND2 ASN A 40 16.530 2.430 1.983 1.00 0.00 N ATOM 0 H ASN A 40 16.666 5.219 -2.207 1.00 0.00 H new ATOM 0 HA ASN A 40 18.523 5.147 0.096 1.00 0.00 H new ATOM 0 HB2 ASN A 40 16.048 4.335 0.242 1.00 0.00 H new ATOM 0 HB3 ASN A 40 16.573 2.982 -0.741 1.00 0.00 H new ATOM 0 HD21 ASN A 40 16.821 1.943 2.831 1.00 0.00 H new ATOM 0 HD22 ASN A 40 15.544 2.456 1.723 1.00 0.00 H new ATOM 609 N HIS A 41 20.150 3.576 -0.918 1.00 0.00 N ATOM 610 CA HIS A 41 21.180 2.774 -1.570 1.00 0.00 C ATOM 611 C HIS A 41 21.259 1.383 -0.949 1.00 0.00 C ATOM 612 O HIS A 41 22.341 0.813 -0.816 1.00 0.00 O ATOM 613 CB HIS A 41 22.538 3.469 -1.468 1.00 0.00 C ATOM 614 CG HIS A 41 23.183 3.328 -0.123 1.00 0.00 C ATOM 615 ND1 HIS A 41 24.548 3.387 0.066 1.00 0.00 N ATOM 616 CD2 HIS A 41 22.643 3.132 1.102 1.00 0.00 C ATOM 617 CE1 HIS A 41 24.818 3.232 1.350 1.00 0.00 C ATOM 618 NE2 HIS A 41 23.680 3.075 2.000 1.00 0.00 N ATOM 0 H HIS A 41 20.430 3.974 -0.021 1.00 0.00 H new ATOM 0 HA HIS A 41 20.913 2.669 -2.621 1.00 0.00 H new ATOM 0 HB2 HIS A 41 23.205 3.059 -2.226 1.00 0.00 H new ATOM 0 HB3 HIS A 41 22.413 4.528 -1.693 1.00 0.00 H new ATOM 0 HD2 HIS A 41 21.592 3.038 1.331 1.00 0.00 H new ATOM 0 HE1 HIS A 41 25.803 3.234 1.793 1.00 0.00 H new ATOM 0 HE2 HIS A 41 23.586 2.934 3.006 1.00 0.00 H new ATOM 626 N ALA A 42 20.105 0.842 -0.570 1.00 0.00 N ATOM 627 CA ALA A 42 20.044 -0.482 0.035 1.00 0.00 C ATOM 628 C ALA A 42 19.016 -1.361 -0.669 1.00 0.00 C ATOM 629 O ALA A 42 17.934 -0.911 -1.046 1.00 0.00 O ATOM 630 CB ALA A 42 19.719 -0.370 1.517 1.00 0.00 C ATOM 0 H ALA A 42 19.200 1.301 -0.672 1.00 0.00 H new ATOM 0 HA ALA A 42 21.022 -0.951 -0.077 1.00 0.00 H new ATOM 0 HB1 ALA A 42 19.676 -1.367 1.956 1.00 0.00 H new ATOM 0 HB2 ALA A 42 20.492 0.214 2.016 1.00 0.00 H new ATOM 0 HB3 ALA A 42 18.755 0.123 1.642 1.00 0.00 H new ATOM 636 N PRO A 43 19.360 -2.644 -0.852 1.00 0.00 N ATOM 637 CA PRO A 43 18.480 -3.613 -1.513 1.00 0.00 C ATOM 638 C PRO A 43 17.260 -3.959 -0.667 1.00 0.00 C ATOM 639 O PRO A 43 16.131 -3.948 -1.155 1.00 0.00 O ATOM 640 CB PRO A 43 19.375 -4.843 -1.689 1.00 0.00 C ATOM 641 CG PRO A 43 20.399 -4.722 -0.614 1.00 0.00 C ATOM 642 CD PRO A 43 20.634 -3.249 -0.428 1.00 0.00 C ATOM 0 HA PRO A 43 18.077 -3.225 -2.448 1.00 0.00 H new ATOM 0 HB2 PRO A 43 18.804 -5.766 -1.590 1.00 0.00 H new ATOM 0 HB3 PRO A 43 19.837 -4.859 -2.676 1.00 0.00 H new ATOM 0 HG2 PRO A 43 20.050 -5.181 0.311 1.00 0.00 H new ATOM 0 HG3 PRO A 43 21.321 -5.232 -0.894 1.00 0.00 H new ATOM 0 HD2 PRO A 43 20.868 -3.007 0.609 1.00 0.00 H new ATOM 0 HD3 PRO A 43 21.468 -2.895 -1.034 1.00 0.00 H new ATOM 650 N GLY A 44 17.495 -4.265 0.606 1.00 0.00 N ATOM 651 CA GLY A 44 16.405 -4.609 1.499 1.00 0.00 C ATOM 652 C GLY A 44 15.279 -3.595 1.458 1.00 0.00 C ATOM 653 O GLY A 44 14.105 -3.958 1.523 1.00 0.00 O ATOM 0 H GLY A 44 18.421 -4.281 1.034 1.00 0.00 H new ATOM 0 HA2 GLY A 44 16.015 -5.591 1.230 1.00 0.00 H new ATOM 0 HA3 GLY A 44 16.784 -4.685 2.518 1.00 0.00 H new ATOM 657 N ALA A 45 15.637 -2.320 1.351 1.00 0.00 N ATOM 658 CA ALA A 45 14.648 -1.250 1.301 1.00 0.00 C ATOM 659 C ALA A 45 13.918 -1.240 -0.038 1.00 0.00 C ATOM 660 O ALA A 45 12.692 -1.339 -0.090 1.00 0.00 O ATOM 661 CB ALA A 45 15.312 0.095 1.553 1.00 0.00 C ATOM 0 H ALA A 45 16.605 -2.003 1.297 1.00 0.00 H new ATOM 0 HA ALA A 45 13.913 -1.431 2.085 1.00 0.00 H new ATOM 0 HB1 ALA A 45 14.562 0.884 1.513 1.00 0.00 H new ATOM 0 HB2 ALA A 45 15.781 0.090 2.537 1.00 0.00 H new ATOM 0 HB3 ALA A 45 16.070 0.275 0.790 1.00 0.00 H new ATOM 667 N THR A 46 14.680 -1.117 -1.121 1.00 0.00 N ATOM 668 CA THR A 46 14.106 -1.092 -2.460 1.00 0.00 C ATOM 669 C THR A 46 13.202 -2.297 -2.694 1.00 0.00 C ATOM 670 O THR A 46 12.133 -2.175 -3.292 1.00 0.00 O ATOM 671 CB THR A 46 15.202 -1.069 -3.541 1.00 0.00 C ATOM 672 OG1 THR A 46 16.336 -0.330 -3.074 1.00 0.00 O ATOM 673 CG2 THR A 46 14.681 -0.448 -4.828 1.00 0.00 C ATOM 0 H THR A 46 15.696 -1.033 -1.096 1.00 0.00 H new ATOM 0 HA THR A 46 13.515 -0.179 -2.533 1.00 0.00 H new ATOM 0 HB THR A 46 15.499 -2.097 -3.747 1.00 0.00 H new ATOM 0 HG1 THR A 46 16.902 -0.912 -2.524 1.00 0.00 H new ATOM 0 HG21 THR A 46 15.473 -0.443 -5.576 1.00 0.00 H new ATOM 0 HG22 THR A 46 13.837 -1.030 -5.197 1.00 0.00 H new ATOM 0 HG23 THR A 46 14.359 0.575 -4.634 1.00 0.00 H new ATOM 681 N GLU A 47 13.638 -3.459 -2.218 1.00 0.00 N ATOM 682 CA GLU A 47 12.866 -4.686 -2.377 1.00 0.00 C ATOM 683 C GLU A 47 11.455 -4.517 -1.822 1.00 0.00 C ATOM 684 O GLU A 47 10.531 -5.227 -2.219 1.00 0.00 O ATOM 685 CB GLU A 47 13.567 -5.850 -1.673 1.00 0.00 C ATOM 686 CG GLU A 47 14.759 -6.397 -2.441 1.00 0.00 C ATOM 687 CD GLU A 47 14.986 -7.875 -2.190 1.00 0.00 C ATOM 688 OE1 GLU A 47 14.039 -8.663 -2.393 1.00 0.00 O ATOM 689 OE2 GLU A 47 16.111 -8.243 -1.790 1.00 0.00 O ATOM 0 H GLU A 47 14.520 -3.577 -1.720 1.00 0.00 H new ATOM 0 HA GLU A 47 12.795 -4.905 -3.442 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.900 -5.521 -0.689 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.848 -6.654 -1.514 1.00 0.00 H new ATOM 0 HG2 GLU A 47 14.606 -6.233 -3.508 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.654 -5.843 -2.159 1.00 0.00 H new ATOM 696 N ALA A 48 11.297 -3.573 -0.900 1.00 0.00 N ATOM 697 CA ALA A 48 10.000 -3.309 -0.291 1.00 0.00 C ATOM 698 C ALA A 48 9.168 -2.368 -1.156 1.00 0.00 C ATOM 699 O ALA A 48 7.976 -2.594 -1.368 1.00 0.00 O ATOM 700 CB ALA A 48 10.180 -2.726 1.103 1.00 0.00 C ATOM 0 H ALA A 48 12.052 -2.978 -0.559 1.00 0.00 H new ATOM 0 HA ALA A 48 9.465 -4.255 -0.211 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.203 -2.534 1.546 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.728 -3.434 1.725 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.739 -1.792 1.038 1.00 0.00 H new ATOM 706 N PHE A 49 9.803 -1.312 -1.653 1.00 0.00 N ATOM 707 CA PHE A 49 9.121 -0.336 -2.494 1.00 0.00 C ATOM 708 C PHE A 49 8.159 -1.025 -3.457 1.00 0.00 C ATOM 709 O PHE A 49 7.057 -0.537 -3.708 1.00 0.00 O ATOM 710 CB PHE A 49 10.140 0.493 -3.279 1.00 0.00 C ATOM 711 CG PHE A 49 9.524 1.328 -4.365 1.00 0.00 C ATOM 712 CD1 PHE A 49 8.349 2.027 -4.138 1.00 0.00 C ATOM 713 CD2 PHE A 49 10.119 1.414 -5.613 1.00 0.00 C ATOM 714 CE1 PHE A 49 7.780 2.797 -5.135 1.00 0.00 C ATOM 715 CE2 PHE A 49 9.555 2.183 -6.614 1.00 0.00 C ATOM 716 CZ PHE A 49 8.383 2.874 -6.374 1.00 0.00 C ATOM 0 H PHE A 49 10.789 -1.110 -1.488 1.00 0.00 H new ATOM 0 HA PHE A 49 8.546 0.326 -1.846 1.00 0.00 H new ATOM 0 HB2 PHE A 49 10.674 1.146 -2.589 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.878 -0.176 -3.721 1.00 0.00 H new ATOM 0 HD1 PHE A 49 7.872 1.969 -3.171 1.00 0.00 H new ATOM 0 HD2 PHE A 49 11.034 0.874 -5.806 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.865 3.338 -4.945 1.00 0.00 H new ATOM 0 HE2 PHE A 49 10.030 2.243 -7.582 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.939 3.474 -7.155 1.00 0.00 H new ATOM 726 N LYS A 50 8.584 -2.164 -3.994 1.00 0.00 N ATOM 727 CA LYS A 50 7.762 -2.923 -4.929 1.00 0.00 C ATOM 728 C LYS A 50 6.439 -3.327 -4.287 1.00 0.00 C ATOM 729 O LYS A 50 5.368 -3.081 -4.842 1.00 0.00 O ATOM 730 CB LYS A 50 8.512 -4.169 -5.404 1.00 0.00 C ATOM 731 CG LYS A 50 9.368 -3.932 -6.636 1.00 0.00 C ATOM 732 CD LYS A 50 9.548 -5.206 -7.445 1.00 0.00 C ATOM 733 CE LYS A 50 9.778 -4.903 -8.917 1.00 0.00 C ATOM 734 NZ LYS A 50 8.498 -4.831 -9.675 1.00 0.00 N ATOM 0 H LYS A 50 9.494 -2.582 -3.797 1.00 0.00 H new ATOM 0 HA LYS A 50 7.549 -2.285 -5.787 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.147 -4.531 -4.595 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.790 -4.957 -5.620 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.906 -3.167 -7.259 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.344 -3.551 -6.334 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.393 -5.771 -7.052 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.665 -5.836 -7.336 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.311 -3.957 -9.014 1.00 0.00 H new ATOM 0 HE3 LYS A 50 10.414 -5.674 -9.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.698 -4.623 -10.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.001 -5.742 -9.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.901 -4.078 -9.277 1.00 0.00 H new ATOM 748 N ALA A 51 6.521 -3.947 -3.114 1.00 0.00 N ATOM 749 CA ALA A 51 5.330 -4.381 -2.395 1.00 0.00 C ATOM 750 C ALA A 51 4.417 -3.201 -2.082 1.00 0.00 C ATOM 751 O ALA A 51 3.209 -3.258 -2.317 1.00 0.00 O ATOM 752 CB ALA A 51 5.720 -5.104 -1.114 1.00 0.00 C ATOM 0 H ALA A 51 7.400 -4.160 -2.642 1.00 0.00 H new ATOM 0 HA ALA A 51 4.781 -5.071 -3.036 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.820 -5.422 -0.588 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.325 -5.977 -1.359 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.294 -4.431 -0.477 1.00 0.00 H new ATOM 758 N ILE A 52 5.000 -2.133 -1.549 1.00 0.00 N ATOM 759 CA ILE A 52 4.238 -0.939 -1.203 1.00 0.00 C ATOM 760 C ILE A 52 3.177 -0.641 -2.257 1.00 0.00 C ATOM 761 O ILE A 52 1.982 -0.630 -1.963 1.00 0.00 O ATOM 762 CB ILE A 52 5.154 0.289 -1.052 1.00 0.00 C ATOM 763 CG1 ILE A 52 6.403 -0.075 -0.246 1.00 0.00 C ATOM 764 CG2 ILE A 52 4.402 1.432 -0.387 1.00 0.00 C ATOM 765 CD1 ILE A 52 7.167 1.129 0.260 1.00 0.00 C ATOM 0 H ILE A 52 5.998 -2.070 -1.347 1.00 0.00 H new ATOM 0 HA ILE A 52 3.753 -1.139 -0.248 1.00 0.00 H new ATOM 0 HB ILE A 52 5.467 0.615 -2.044 1.00 0.00 H new ATOM 0 HG12 ILE A 52 6.111 -0.693 0.603 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.063 -0.680 -0.868 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.063 2.293 -0.287 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.541 1.704 -0.997 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.063 1.119 0.600 1.00 0.00 H new ATOM 0 HD11 ILE A 52 8.039 0.796 0.822 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.490 1.736 -0.585 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.522 1.723 0.908 1.00 0.00 H new ATOM 777 N GLY A 53 3.621 -0.401 -3.486 1.00 0.00 N ATOM 778 CA GLY A 53 2.697 -0.107 -4.566 1.00 0.00 C ATOM 779 C GLY A 53 1.570 -1.118 -4.655 1.00 0.00 C ATOM 780 O GLY A 53 0.395 -0.759 -4.569 1.00 0.00 O ATOM 0 H GLY A 53 4.605 -0.405 -3.754 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.278 0.889 -4.421 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.241 -0.089 -5.511 1.00 0.00 H new ATOM 784 N THR A 54 1.928 -2.387 -4.829 1.00 0.00 N ATOM 785 CA THR A 54 0.939 -3.452 -4.933 1.00 0.00 C ATOM 786 C THR A 54 -0.253 -3.187 -4.020 1.00 0.00 C ATOM 787 O THR A 54 -1.380 -3.571 -4.329 1.00 0.00 O ATOM 788 CB THR A 54 1.549 -4.821 -4.578 1.00 0.00 C ATOM 789 OG1 THR A 54 2.653 -5.105 -5.444 1.00 0.00 O ATOM 790 CG2 THR A 54 0.508 -5.924 -4.698 1.00 0.00 C ATOM 0 H THR A 54 2.896 -2.701 -4.901 1.00 0.00 H new ATOM 0 HA THR A 54 0.602 -3.470 -5.969 1.00 0.00 H new ATOM 0 HB THR A 54 1.898 -4.782 -3.546 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.036 -5.976 -5.211 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.962 -6.882 -4.443 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.318 -5.720 -4.017 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.134 -5.961 -5.721 1.00 0.00 H new ATOM 798 N ALA A 55 0.005 -2.528 -2.895 1.00 0.00 N ATOM 799 CA ALA A 55 -1.048 -2.210 -1.938 1.00 0.00 C ATOM 800 C ALA A 55 -1.791 -0.941 -2.342 1.00 0.00 C ATOM 801 O ALA A 55 -3.017 -0.939 -2.458 1.00 0.00 O ATOM 802 CB ALA A 55 -0.463 -2.059 -0.542 1.00 0.00 C ATOM 0 H ALA A 55 0.933 -2.204 -2.624 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.763 -3.033 -1.934 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.260 -1.822 0.163 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.017 -2.992 -0.246 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.273 -1.255 -0.541 1.00 0.00 H new ATOM 808 N TYR A 56 -1.043 0.135 -2.555 1.00 0.00 N ATOM 809 CA TYR A 56 -1.633 1.411 -2.943 1.00 0.00 C ATOM 810 C TYR A 56 -2.506 1.253 -4.184 1.00 0.00 C ATOM 811 O TYR A 56 -3.593 1.824 -4.268 1.00 0.00 O ATOM 812 CB TYR A 56 -0.536 2.444 -3.207 1.00 0.00 C ATOM 813 CG TYR A 56 -1.059 3.763 -3.731 1.00 0.00 C ATOM 814 CD1 TYR A 56 -1.558 4.728 -2.865 1.00 0.00 C ATOM 815 CD2 TYR A 56 -1.053 4.043 -5.092 1.00 0.00 C ATOM 816 CE1 TYR A 56 -2.037 5.933 -3.340 1.00 0.00 C ATOM 817 CE2 TYR A 56 -1.530 5.246 -5.575 1.00 0.00 C ATOM 818 CZ TYR A 56 -2.021 6.188 -4.695 1.00 0.00 C ATOM 819 OH TYR A 56 -2.497 7.388 -5.171 1.00 0.00 O ATOM 0 H TYR A 56 -0.027 0.150 -2.466 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.260 1.757 -2.121 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.014 2.622 -2.283 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.173 2.033 -3.925 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -1.572 4.533 -1.803 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -0.669 3.308 -5.784 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -2.422 6.672 -2.653 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -1.519 5.448 -6.636 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.414 7.409 -6.147 1.00 0.00 H new ATOM 829 N ALA A 57 -2.023 0.472 -5.144 1.00 0.00 N ATOM 830 CA ALA A 57 -2.759 0.235 -6.380 1.00 0.00 C ATOM 831 C ALA A 57 -4.126 -0.378 -6.095 1.00 0.00 C ATOM 832 O ALA A 57 -5.102 -0.092 -6.788 1.00 0.00 O ATOM 833 CB ALA A 57 -1.958 -0.666 -7.307 1.00 0.00 C ATOM 0 H ALA A 57 -1.125 -0.008 -5.090 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.915 1.196 -6.871 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.520 -0.834 -8.226 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.007 -0.190 -7.545 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.772 -1.621 -6.815 1.00 0.00 H new ATOM 839 N VAL A 58 -4.189 -1.222 -5.070 1.00 0.00 N ATOM 840 CA VAL A 58 -5.438 -1.874 -4.693 1.00 0.00 C ATOM 841 C VAL A 58 -6.452 -0.862 -4.173 1.00 0.00 C ATOM 842 O VAL A 58 -7.476 -0.610 -4.810 1.00 0.00 O ATOM 843 CB VAL A 58 -5.205 -2.951 -3.616 1.00 0.00 C ATOM 844 CG1 VAL A 58 -6.531 -3.519 -3.134 1.00 0.00 C ATOM 845 CG2 VAL A 58 -4.305 -4.054 -4.152 1.00 0.00 C ATOM 0 H VAL A 58 -3.390 -1.470 -4.486 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.832 -2.348 -5.592 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.705 -2.488 -2.765 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.347 -4.278 -2.374 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.136 -2.719 -2.709 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -7.061 -3.968 -3.974 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.151 -4.806 -3.378 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.774 -4.517 -5.020 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.344 -3.630 -4.442 1.00 0.00 H new ATOM 855 N LEU A 59 -6.161 -0.284 -3.013 1.00 0.00 N ATOM 856 CA LEU A 59 -7.048 0.703 -2.407 1.00 0.00 C ATOM 857 C LEU A 59 -7.253 1.896 -3.336 1.00 0.00 C ATOM 858 O LEU A 59 -8.379 2.344 -3.548 1.00 0.00 O ATOM 859 CB LEU A 59 -6.478 1.177 -1.069 1.00 0.00 C ATOM 860 CG LEU A 59 -6.057 0.078 -0.092 1.00 0.00 C ATOM 861 CD1 LEU A 59 -5.394 0.681 1.136 1.00 0.00 C ATOM 862 CD2 LEU A 59 -7.257 -0.768 0.308 1.00 0.00 C ATOM 0 H LEU A 59 -5.318 -0.481 -2.473 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.015 0.229 -2.236 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.613 1.809 -1.269 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.224 1.804 -0.580 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.333 -0.567 -0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.101 -0.116 1.820 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.510 1.243 0.833 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.095 1.349 1.637 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.939 -1.545 1.003 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.004 -0.136 0.787 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.688 -1.230 -0.580 1.00 0.00 H new ATOM 874 N SER A 60 -6.156 2.403 -3.889 1.00 0.00 N ATOM 875 CA SER A 60 -6.214 3.544 -4.795 1.00 0.00 C ATOM 876 C SER A 60 -7.315 3.357 -5.834 1.00 0.00 C ATOM 877 O SER A 60 -7.943 4.321 -6.269 1.00 0.00 O ATOM 878 CB SER A 60 -4.866 3.739 -5.492 1.00 0.00 C ATOM 879 OG SER A 60 -4.902 4.849 -6.372 1.00 0.00 O ATOM 0 H SER A 60 -5.216 2.042 -3.726 1.00 0.00 H new ATOM 0 HA SER A 60 -6.441 4.433 -4.206 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.086 3.888 -4.746 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.607 2.838 -6.048 1.00 0.00 H new ATOM 0 HG SER A 60 -4.021 5.277 -6.394 1.00 0.00 H new ATOM 885 N ASN A 61 -7.541 2.108 -6.229 1.00 0.00 N ATOM 886 CA ASN A 61 -8.565 1.793 -7.218 1.00 0.00 C ATOM 887 C ASN A 61 -9.874 1.402 -6.540 1.00 0.00 C ATOM 888 O ASN A 61 -9.893 0.703 -5.527 1.00 0.00 O ATOM 889 CB ASN A 61 -8.091 0.659 -8.130 1.00 0.00 C ATOM 890 CG ASN A 61 -7.043 1.117 -9.126 1.00 0.00 C ATOM 891 OD1 ASN A 61 -7.058 2.262 -9.577 1.00 0.00 O ATOM 892 ND2 ASN A 61 -6.127 0.221 -9.474 1.00 0.00 N ATOM 0 H ASN A 61 -7.029 1.298 -5.879 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.740 2.685 -7.820 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -7.681 -0.147 -7.521 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -8.945 0.249 -8.669 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -5.397 0.471 -10.141 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -6.154 -0.717 -9.074 1.00 0.00 H new ATOM 899 N PRO A 62 -10.997 1.864 -7.111 1.00 0.00 N ATOM 900 CA PRO A 62 -12.332 1.574 -6.580 1.00 0.00 C ATOM 901 C PRO A 62 -12.724 0.112 -6.761 1.00 0.00 C ATOM 902 O PRO A 62 -13.452 -0.451 -5.944 1.00 0.00 O ATOM 903 CB PRO A 62 -13.248 2.480 -7.407 1.00 0.00 C ATOM 904 CG PRO A 62 -12.509 2.702 -8.682 1.00 0.00 C ATOM 905 CD PRO A 62 -11.050 2.703 -8.320 1.00 0.00 C ATOM 0 HA PRO A 62 -12.390 1.752 -5.506 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -14.214 2.009 -7.586 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -13.443 3.421 -6.893 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -12.731 1.916 -9.404 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -12.798 3.648 -9.141 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -10.437 2.291 -9.122 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -10.685 3.712 -8.125 1.00 0.00 H new ATOM 913 N GLU A 63 -12.236 -0.498 -7.837 1.00 0.00 N ATOM 914 CA GLU A 63 -12.537 -1.895 -8.125 1.00 0.00 C ATOM 915 C GLU A 63 -11.744 -2.822 -7.208 1.00 0.00 C ATOM 916 O GLU A 63 -12.290 -3.770 -6.642 1.00 0.00 O ATOM 917 CB GLU A 63 -12.223 -2.217 -9.588 1.00 0.00 C ATOM 918 CG GLU A 63 -13.273 -1.709 -10.562 1.00 0.00 C ATOM 919 CD GLU A 63 -13.066 -2.235 -11.969 1.00 0.00 C ATOM 920 OE1 GLU A 63 -12.095 -1.804 -12.626 1.00 0.00 O ATOM 921 OE2 GLU A 63 -13.875 -3.076 -12.413 1.00 0.00 O ATOM 0 H GLU A 63 -11.631 -0.047 -8.523 1.00 0.00 H new ATOM 0 HA GLU A 63 -13.600 -2.055 -7.945 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.258 -1.782 -9.848 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.127 -3.297 -9.701 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.262 -2.003 -10.210 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.251 -0.619 -10.579 1.00 0.00 H new ATOM 928 N LYS A 64 -10.453 -2.542 -7.065 1.00 0.00 N ATOM 929 CA LYS A 64 -9.584 -3.348 -6.217 1.00 0.00 C ATOM 930 C LYS A 64 -9.776 -2.993 -4.746 1.00 0.00 C ATOM 931 O LYS A 64 -9.400 -3.758 -3.858 1.00 0.00 O ATOM 932 CB LYS A 64 -8.120 -3.147 -6.614 1.00 0.00 C ATOM 933 CG LYS A 64 -7.859 -3.344 -8.097 1.00 0.00 C ATOM 934 CD LYS A 64 -6.380 -3.547 -8.381 1.00 0.00 C ATOM 935 CE LYS A 64 -6.118 -3.725 -9.869 1.00 0.00 C ATOM 936 NZ LYS A 64 -4.667 -3.898 -10.159 1.00 0.00 N ATOM 0 H LYS A 64 -9.985 -1.762 -7.526 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.852 -4.395 -6.357 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.810 -2.141 -6.330 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.500 -3.843 -6.049 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.421 -4.207 -8.455 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.221 -2.477 -8.649 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.816 -2.691 -8.011 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.021 -4.423 -7.840 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.667 -4.593 -10.233 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.496 -2.858 -10.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.529 -4.016 -11.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.146 -3.059 -9.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.312 -4.740 -9.662 1.00 0.00 H new ATOM 950 N ARG A 65 -10.366 -1.828 -4.496 1.00 0.00 N ATOM 951 CA ARG A 65 -10.609 -1.372 -3.133 1.00 0.00 C ATOM 952 C ARG A 65 -11.932 -1.918 -2.604 1.00 0.00 C ATOM 953 O ARG A 65 -11.980 -2.537 -1.540 1.00 0.00 O ATOM 954 CB ARG A 65 -10.618 0.157 -3.078 1.00 0.00 C ATOM 955 CG ARG A 65 -10.971 0.715 -1.709 1.00 0.00 C ATOM 956 CD ARG A 65 -10.882 2.233 -1.687 1.00 0.00 C ATOM 957 NE ARG A 65 -11.518 2.801 -0.501 1.00 0.00 N ATOM 958 CZ ARG A 65 -12.829 2.980 -0.384 1.00 0.00 C ATOM 959 NH1 ARG A 65 -13.639 2.638 -1.376 1.00 0.00 N ATOM 960 NH2 ARG A 65 -13.332 3.503 0.726 1.00 0.00 N ATOM 0 H ARG A 65 -10.684 -1.183 -5.220 1.00 0.00 H new ATOM 0 HA ARG A 65 -9.803 -1.747 -2.502 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.636 0.528 -3.370 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.332 0.534 -3.810 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -11.980 0.405 -1.437 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -10.297 0.299 -0.960 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -9.835 2.535 -1.717 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.356 2.637 -2.581 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.923 3.075 0.280 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -13.256 2.236 -2.232 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -14.645 2.777 -1.284 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -12.712 3.768 1.491 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -14.339 3.640 0.815 1.00 0.00 H new ATOM 974 N LYS A 66 -13.004 -1.686 -3.354 1.00 0.00 N ATOM 975 CA LYS A 66 -14.328 -2.154 -2.962 1.00 0.00 C ATOM 976 C LYS A 66 -14.278 -3.609 -2.508 1.00 0.00 C ATOM 977 O LYS A 66 -14.747 -3.945 -1.421 1.00 0.00 O ATOM 978 CB LYS A 66 -15.309 -2.007 -4.128 1.00 0.00 C ATOM 979 CG LYS A 66 -15.036 -2.961 -5.277 1.00 0.00 C ATOM 980 CD LYS A 66 -15.842 -2.593 -6.511 1.00 0.00 C ATOM 981 CE LYS A 66 -17.301 -3.000 -6.366 1.00 0.00 C ATOM 982 NZ LYS A 66 -18.035 -2.106 -5.428 1.00 0.00 N ATOM 0 H LYS A 66 -12.982 -1.176 -4.237 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.670 -1.542 -2.127 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -16.322 -2.173 -3.762 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -15.268 -0.983 -4.499 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -13.973 -2.947 -5.518 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -15.280 -3.979 -4.972 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -15.778 -1.518 -6.681 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -15.412 -3.081 -7.386 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -17.784 -2.976 -7.343 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -17.358 -4.028 -6.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -18.961 -1.862 -5.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -18.173 -2.594 -4.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -17.485 -1.237 -5.274 1.00 0.00 H new ATOM 996 N GLN A 67 -13.706 -4.467 -3.346 1.00 0.00 N ATOM 997 CA GLN A 67 -13.594 -5.886 -3.029 1.00 0.00 C ATOM 998 C GLN A 67 -12.826 -6.094 -1.728 1.00 0.00 C ATOM 999 O GLN A 67 -13.206 -6.917 -0.895 1.00 0.00 O ATOM 1000 CB GLN A 67 -12.901 -6.633 -4.170 1.00 0.00 C ATOM 1001 CG GLN A 67 -11.399 -6.403 -4.223 1.00 0.00 C ATOM 1002 CD GLN A 67 -10.776 -6.914 -5.506 1.00 0.00 C ATOM 1003 OE1 GLN A 67 -11.209 -6.562 -6.604 1.00 0.00 O ATOM 1004 NE2 GLN A 67 -9.752 -7.751 -5.376 1.00 0.00 N ATOM 0 H GLN A 67 -13.313 -4.205 -4.250 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.601 -6.285 -2.903 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -13.093 -7.701 -4.064 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -13.342 -6.322 -5.117 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -11.195 -5.337 -4.124 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -10.929 -6.898 -3.373 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -9.425 -8.017 -4.447 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.293 -8.128 -6.205 1.00 0.00 H new ATOM 1013 N TYR A 68 -11.743 -5.343 -1.560 1.00 0.00 N ATOM 1014 CA TYR A 68 -10.919 -5.447 -0.362 1.00 0.00 C ATOM 1015 C TYR A 68 -11.723 -5.093 0.885 1.00 0.00 C ATOM 1016 O TYR A 68 -11.568 -5.716 1.935 1.00 0.00 O ATOM 1017 CB TYR A 68 -9.700 -4.529 -0.474 1.00 0.00 C ATOM 1018 CG TYR A 68 -8.861 -4.480 0.783 1.00 0.00 C ATOM 1019 CD1 TYR A 68 -9.350 -3.899 1.946 1.00 0.00 C ATOM 1020 CD2 TYR A 68 -7.579 -5.017 0.807 1.00 0.00 C ATOM 1021 CE1 TYR A 68 -8.586 -3.852 3.096 1.00 0.00 C ATOM 1022 CE2 TYR A 68 -6.809 -4.975 1.953 1.00 0.00 C ATOM 1023 CZ TYR A 68 -7.317 -4.391 3.095 1.00 0.00 C ATOM 1024 OH TYR A 68 -6.553 -4.347 4.239 1.00 0.00 O ATOM 0 H TYR A 68 -11.416 -4.656 -2.239 1.00 0.00 H new ATOM 0 HA TYR A 68 -10.581 -6.479 -0.273 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.078 -4.865 -1.303 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -10.036 -3.521 -0.716 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -10.344 -3.477 1.951 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -7.178 -5.475 -0.085 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -8.981 -3.395 3.991 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -5.815 -5.397 1.955 1.00 0.00 H new ATOM 0 HH TYR A 68 -6.623 -5.202 4.712 1.00 0.00 H new ATOM 1034 N ASP A 69 -12.583 -4.088 0.760 1.00 0.00 N ATOM 1035 CA ASP A 69 -13.414 -3.650 1.876 1.00 0.00 C ATOM 1036 C ASP A 69 -14.527 -4.656 2.151 1.00 0.00 C ATOM 1037 O ASP A 69 -14.710 -5.098 3.285 1.00 0.00 O ATOM 1038 CB ASP A 69 -14.015 -2.274 1.583 1.00 0.00 C ATOM 1039 CG ASP A 69 -13.118 -1.142 2.042 1.00 0.00 C ATOM 1040 OD1 ASP A 69 -12.195 -0.773 1.288 1.00 0.00 O ATOM 1041 OD2 ASP A 69 -13.340 -0.624 3.158 1.00 0.00 O ATOM 0 H ASP A 69 -12.723 -3.562 -0.102 1.00 0.00 H new ATOM 0 HA ASP A 69 -12.783 -3.581 2.762 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -14.195 -2.180 0.512 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -14.983 -2.190 2.078 1.00 0.00 H new ATOM 1046 N GLN A 70 -15.268 -5.013 1.107 1.00 0.00 N ATOM 1047 CA GLN A 70 -16.365 -5.965 1.238 1.00 0.00 C ATOM 1048 C GLN A 70 -15.862 -7.304 1.766 1.00 0.00 C ATOM 1049 O GLN A 70 -16.215 -7.721 2.870 1.00 0.00 O ATOM 1050 CB GLN A 70 -17.060 -6.163 -0.110 1.00 0.00 C ATOM 1051 CG GLN A 70 -18.028 -5.047 -0.465 1.00 0.00 C ATOM 1052 CD GLN A 70 -19.284 -5.071 0.382 1.00 0.00 C ATOM 1053 OE1 GLN A 70 -19.874 -6.128 0.608 1.00 0.00 O ATOM 1054 NE2 GLN A 70 -19.701 -3.904 0.858 1.00 0.00 N ATOM 0 H GLN A 70 -15.129 -4.657 0.161 1.00 0.00 H new ATOM 0 HA GLN A 70 -17.082 -5.560 1.952 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -16.304 -6.239 -0.891 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -17.600 -7.110 -0.095 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -17.529 -4.086 -0.341 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -18.302 -5.130 -1.517 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -19.182 -3.052 0.646 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -20.541 -3.859 1.436 1.00 0.00 H new ATOM 1063 N PHE A 71 -15.035 -7.976 0.971 1.00 0.00 N ATOM 1064 CA PHE A 71 -14.484 -9.269 1.358 1.00 0.00 C ATOM 1065 C PHE A 71 -13.414 -9.105 2.433 1.00 0.00 C ATOM 1066 O PHE A 71 -13.574 -9.574 3.560 1.00 0.00 O ATOM 1067 CB PHE A 71 -13.893 -9.981 0.139 1.00 0.00 C ATOM 1068 CG PHE A 71 -14.911 -10.734 -0.668 1.00 0.00 C ATOM 1069 CD1 PHE A 71 -15.647 -10.092 -1.651 1.00 0.00 C ATOM 1070 CD2 PHE A 71 -15.133 -12.083 -0.443 1.00 0.00 C ATOM 1071 CE1 PHE A 71 -16.585 -10.782 -2.396 1.00 0.00 C ATOM 1072 CE2 PHE A 71 -16.069 -12.778 -1.185 1.00 0.00 C ATOM 1073 CZ PHE A 71 -16.797 -12.127 -2.162 1.00 0.00 C ATOM 0 H PHE A 71 -14.732 -7.646 0.055 1.00 0.00 H new ATOM 0 HA PHE A 71 -15.294 -9.873 1.766 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -13.406 -9.245 -0.501 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -13.121 -10.674 0.472 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -15.486 -9.040 -1.837 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -14.568 -12.597 0.321 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -17.151 -10.270 -3.160 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -16.231 -13.830 -1.001 1.00 0.00 H new ATOM 0 HZ PHE A 71 -17.530 -12.668 -2.742 1.00 0.00 H new ATOM 1083 N GLY A 72 -12.322 -8.435 2.077 1.00 0.00 N ATOM 1084 CA GLY A 72 -11.242 -8.222 3.022 1.00 0.00 C ATOM 1085 C GLY A 72 -11.675 -7.405 4.223 1.00 0.00 C ATOM 1086 O GLY A 72 -12.734 -7.652 4.800 1.00 0.00 O ATOM 0 H GLY A 72 -12.166 -8.036 1.151 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.864 -9.187 3.360 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.418 -7.715 2.519 1.00 0.00 H new ATOM 1090 N SER A 73 -10.854 -6.432 4.602 1.00 0.00 N ATOM 1091 CA SER A 73 -11.155 -5.580 5.747 1.00 0.00 C ATOM 1092 C SER A 73 -11.750 -6.396 6.890 1.00 0.00 C ATOM 1093 O SER A 73 -12.826 -6.083 7.398 1.00 0.00 O ATOM 1094 CB SER A 73 -12.125 -4.468 5.341 1.00 0.00 C ATOM 1095 OG SER A 73 -11.454 -3.441 4.632 1.00 0.00 O ATOM 0 H SER A 73 -9.975 -6.213 4.133 1.00 0.00 H new ATOM 0 HA SER A 73 -10.222 -5.132 6.090 1.00 0.00 H new ATOM 0 HB2 SER A 73 -12.920 -4.883 4.721 1.00 0.00 H new ATOM 0 HB3 SER A 73 -12.598 -4.051 6.230 1.00 0.00 H new ATOM 0 HG SER A 73 -10.832 -3.840 3.988 1.00 0.00 H new ATOM 1101 N GLY A 74 -11.040 -7.447 7.290 1.00 0.00 N ATOM 1102 CA GLY A 74 -11.512 -8.294 8.370 1.00 0.00 C ATOM 1103 C GLY A 74 -10.481 -8.462 9.468 1.00 0.00 C ATOM 1104 O GLY A 74 -9.275 -8.458 9.222 1.00 0.00 O ATOM 0 H GLY A 74 -10.146 -7.727 6.885 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -12.421 -7.866 8.792 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.776 -9.273 7.971 1.00 0.00 H new ATOM 1108 N PRO A 75 -10.956 -8.613 10.714 1.00 0.00 N ATOM 1109 CA PRO A 75 -10.083 -8.786 11.878 1.00 0.00 C ATOM 1110 C PRO A 75 -9.377 -10.137 11.879 1.00 0.00 C ATOM 1111 O PRO A 75 -8.219 -10.243 12.284 1.00 0.00 O ATOM 1112 CB PRO A 75 -11.048 -8.686 13.063 1.00 0.00 C ATOM 1113 CG PRO A 75 -12.369 -9.094 12.510 1.00 0.00 C ATOM 1114 CD PRO A 75 -12.382 -8.628 11.080 1.00 0.00 C ATOM 0 HA PRO A 75 -9.282 -8.047 11.899 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -10.742 -9.340 13.880 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -11.082 -7.672 13.462 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -12.500 -10.174 12.569 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -13.185 -8.643 13.075 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -12.954 -9.303 10.443 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -12.832 -7.640 10.983 1.00 0.00 H new ATOM 1122 N SER A 76 -10.081 -11.168 11.422 1.00 0.00 N ATOM 1123 CA SER A 76 -9.522 -12.514 11.372 1.00 0.00 C ATOM 1124 C SER A 76 -9.123 -12.884 9.947 1.00 0.00 C ATOM 1125 O SER A 76 -9.492 -12.204 8.991 1.00 0.00 O ATOM 1126 CB SER A 76 -10.532 -13.528 11.912 1.00 0.00 C ATOM 1127 OG SER A 76 -10.883 -13.236 13.253 1.00 0.00 O ATOM 0 H SER A 76 -11.040 -11.097 11.081 1.00 0.00 H new ATOM 0 HA SER A 76 -8.629 -12.534 11.997 1.00 0.00 H new ATOM 0 HB2 SER A 76 -11.427 -13.521 11.289 1.00 0.00 H new ATOM 0 HB3 SER A 76 -10.111 -14.532 11.854 1.00 0.00 H new ATOM 0 HG SER A 76 -11.531 -13.898 13.573 1.00 0.00 H new ATOM 1133 N SER A 77 -8.366 -13.969 9.815 1.00 0.00 N ATOM 1134 CA SER A 77 -7.912 -14.429 8.508 1.00 0.00 C ATOM 1135 C SER A 77 -7.742 -15.945 8.495 1.00 0.00 C ATOM 1136 O SER A 77 -7.174 -16.525 9.419 1.00 0.00 O ATOM 1137 CB SER A 77 -6.592 -13.753 8.135 1.00 0.00 C ATOM 1138 OG SER A 77 -5.603 -13.984 9.124 1.00 0.00 O ATOM 0 H SER A 77 -8.055 -14.545 10.597 1.00 0.00 H new ATOM 0 HA SER A 77 -8.670 -14.159 7.772 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.245 -14.132 7.174 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.749 -12.681 8.017 1.00 0.00 H new ATOM 0 HG SER A 77 -4.768 -13.543 8.861 1.00 0.00 H new ATOM 1144 N GLY A 78 -8.239 -16.582 7.439 1.00 0.00 N ATOM 1145 CA GLY A 78 -8.132 -18.025 7.324 1.00 0.00 C ATOM 1146 C GLY A 78 -8.955 -18.752 8.369 1.00 0.00 C ATOM 1147 O GLY A 78 -8.721 -18.602 9.568 1.00 0.00 O ATOM 0 H GLY A 78 -8.714 -16.124 6.661 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.458 -18.332 6.330 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.087 -18.318 7.421 1.00 0.00 H new TER 1151 GLY A 78