USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 874 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 87 LYS NZ :NH3+ -158:sc= 2.05 (180deg=0.539) USER MOD Set 1.2: A 97 SER OG : rot 81:sc= 0.87 USER MOD Set 2.1: A 26 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 39 THR OG1 : rot -162:sc= 0.862 USER MOD Single : A 1 GLU N :NH3+ -172:sc= 0 (180deg=-0.0451) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -48:sc= 0.0581 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 12 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 19 ASN : amide:sc= 0.931 K(o=0.93,f=-1.2) USER MOD Single : A 24 ASN : amide:sc= 1.19 K(o=1.2,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.506 K(o=-0.51,f=-3.6) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -111:sc= 0.363 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0.846 K(o=0.85,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0.425 K(o=0.43,f=-4.8!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00414) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HE2:sc= 0.443 K(o=0.44,f=-5!) USER MOD Single : A 77 ASN : amide:sc= 1.01 K(o=1,f=-0.077) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.00255 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -163:sc= 1.24 (180deg=1.13) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 180:sc= -0.132 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.108 X(o=-0.11,f=-0.1) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -13.262 -14.743 23.273 1.00 0.00 N ATOM 2 CA GLU A 1 -12.067 -14.162 22.607 1.00 0.00 C ATOM 3 C GLU A 1 -11.834 -14.835 21.247 1.00 0.00 C ATOM 4 O GLU A 1 -11.268 -15.927 21.173 1.00 0.00 O ATOM 5 CB GLU A 1 -10.807 -14.257 23.496 1.00 0.00 C ATOM 6 CG GLU A 1 -10.856 -13.403 24.772 1.00 0.00 C ATOM 7 CD GLU A 1 -10.797 -11.897 24.464 1.00 0.00 C ATOM 8 OE1 GLU A 1 -11.823 -11.338 24.007 1.00 0.00 O ATOM 9 OE2 GLU A 1 -9.730 -11.268 24.671 1.00 0.00 O ATOM 0 H1 GLU A 1 -13.488 -14.190 24.125 1.00 0.00 H new ATOM 0 H2 GLU A 1 -14.070 -14.718 22.619 1.00 0.00 H new ATOM 0 H3 GLU A 1 -13.065 -15.728 23.542 1.00 0.00 H new ATOM 0 HA GLU A 1 -12.261 -13.102 22.443 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -10.656 -15.299 23.778 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -9.940 -13.957 22.907 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -11.771 -13.625 25.321 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -10.022 -13.673 25.420 1.00 0.00 H new ATOM 18 N GLU A 2 -12.298 -14.209 20.161 1.00 0.00 N ATOM 19 CA GLU A 2 -12.159 -14.702 18.776 1.00 0.00 C ATOM 20 C GLU A 2 -12.225 -13.533 17.771 1.00 0.00 C ATOM 21 O GLU A 2 -12.984 -12.582 17.976 1.00 0.00 O ATOM 22 CB GLU A 2 -13.277 -15.728 18.498 1.00 0.00 C ATOM 23 CG GLU A 2 -13.147 -16.415 17.133 1.00 0.00 C ATOM 24 CD GLU A 2 -14.158 -17.570 17.000 1.00 0.00 C ATOM 25 OE1 GLU A 2 -15.345 -17.313 16.678 1.00 0.00 O ATOM 26 OE2 GLU A 2 -13.776 -18.747 17.211 1.00 0.00 O ATOM 0 H GLU A 2 -12.795 -13.320 20.216 1.00 0.00 H new ATOM 0 HA GLU A 2 -11.188 -15.183 18.656 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -13.267 -16.487 19.281 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -14.243 -15.226 18.553 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -13.313 -15.688 16.338 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -12.134 -16.797 17.009 1.00 0.00 H new ATOM 33 N LYS A 3 -11.442 -13.608 16.683 1.00 0.00 N ATOM 34 CA LYS A 3 -11.313 -12.585 15.621 1.00 0.00 C ATOM 35 C LYS A 3 -11.208 -13.235 14.226 1.00 0.00 C ATOM 36 O LYS A 3 -11.046 -14.451 14.110 1.00 0.00 O ATOM 37 CB LYS A 3 -10.073 -11.697 15.896 1.00 0.00 C ATOM 38 CG LYS A 3 -10.078 -10.909 17.223 1.00 0.00 C ATOM 39 CD LYS A 3 -11.173 -9.837 17.362 1.00 0.00 C ATOM 40 CE LYS A 3 -10.976 -8.656 16.403 1.00 0.00 C ATOM 41 NZ LYS A 3 -11.999 -7.599 16.628 1.00 0.00 N ATOM 0 H LYS A 3 -10.851 -14.421 16.507 1.00 0.00 H new ATOM 0 HA LYS A 3 -12.210 -11.966 15.632 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -9.187 -12.331 15.878 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -9.973 -10.986 15.076 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -10.184 -11.618 18.044 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -9.107 -10.427 17.341 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -12.146 -10.292 17.175 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -11.185 -9.468 18.388 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -9.980 -8.236 16.540 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -11.034 -9.008 15.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -11.839 -6.814 15.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -12.948 -7.996 16.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -11.926 -7.247 17.604 1.00 0.00 H new ATOM 55 N TYR A 4 -11.258 -12.417 13.172 1.00 0.00 N ATOM 56 CA TYR A 4 -11.316 -12.838 11.759 1.00 0.00 C ATOM 57 C TYR A 4 -10.027 -12.468 10.994 1.00 0.00 C ATOM 58 O TYR A 4 -10.045 -11.726 10.010 1.00 0.00 O ATOM 59 CB TYR A 4 -12.596 -12.279 11.114 1.00 0.00 C ATOM 60 CG TYR A 4 -13.884 -12.672 11.822 1.00 0.00 C ATOM 61 CD1 TYR A 4 -14.309 -14.015 11.813 1.00 0.00 C ATOM 62 CD2 TYR A 4 -14.653 -11.698 12.490 1.00 0.00 C ATOM 63 CE1 TYR A 4 -15.499 -14.385 12.471 1.00 0.00 C ATOM 64 CE2 TYR A 4 -15.844 -12.063 13.147 1.00 0.00 C ATOM 65 CZ TYR A 4 -16.272 -13.410 13.138 1.00 0.00 C ATOM 66 OH TYR A 4 -17.426 -13.775 13.764 1.00 0.00 O ATOM 0 H TYR A 4 -11.260 -11.402 13.277 1.00 0.00 H new ATOM 0 HA TYR A 4 -11.368 -13.926 11.707 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -12.529 -11.191 11.087 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -12.646 -12.621 10.080 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -13.722 -14.763 11.301 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -14.328 -10.668 12.498 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -15.820 -15.416 12.465 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -16.430 -11.314 13.658 1.00 0.00 H new ATOM 0 HH TYR A 4 -17.838 -12.987 14.176 1.00 0.00 H new ATOM 76 N THR A 5 -8.881 -12.931 11.502 1.00 0.00 N ATOM 77 CA THR A 5 -7.524 -12.678 10.972 1.00 0.00 C ATOM 78 C THR A 5 -7.377 -13.010 9.478 1.00 0.00 C ATOM 79 O THR A 5 -7.835 -14.050 9.005 1.00 0.00 O ATOM 80 CB THR A 5 -6.498 -13.461 11.807 1.00 0.00 C ATOM 81 OG1 THR A 5 -6.674 -13.124 13.169 1.00 0.00 O ATOM 82 CG2 THR A 5 -5.042 -13.150 11.459 1.00 0.00 C ATOM 0 H THR A 5 -8.866 -13.521 12.334 1.00 0.00 H new ATOM 0 HA THR A 5 -7.339 -11.607 11.056 1.00 0.00 H new ATOM 0 HB THR A 5 -6.676 -14.515 11.594 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.027 -13.618 13.714 1.00 0.00 H new ATOM 0 HG21 THR A 5 -4.382 -13.743 12.092 1.00 0.00 H new ATOM 0 HG22 THR A 5 -4.858 -13.395 10.413 1.00 0.00 H new ATOM 0 HG23 THR A 5 -4.847 -12.090 11.623 1.00 0.00 H new ATOM 90 N THR A 6 -6.688 -12.136 8.734 1.00 0.00 N ATOM 91 CA THR A 6 -6.548 -12.156 7.258 1.00 0.00 C ATOM 92 C THR A 6 -5.493 -13.160 6.728 1.00 0.00 C ATOM 93 O THR A 6 -4.872 -12.967 5.680 1.00 0.00 O ATOM 94 CB THR A 6 -6.345 -10.707 6.765 1.00 0.00 C ATOM 95 OG1 THR A 6 -6.652 -10.593 5.393 1.00 0.00 O ATOM 96 CG2 THR A 6 -4.955 -10.115 7.032 1.00 0.00 C ATOM 0 H THR A 6 -6.186 -11.355 9.157 1.00 0.00 H new ATOM 0 HA THR A 6 -7.470 -12.547 6.829 1.00 0.00 H new ATOM 0 HB THR A 6 -7.040 -10.118 7.363 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.206 -11.311 4.897 1.00 0.00 H new ATOM 0 HG21 THR A 6 -4.914 -9.095 6.649 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.763 -10.107 8.105 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.199 -10.721 6.532 1.00 0.00 H new ATOM 104 N LYS A 7 -5.255 -14.249 7.470 1.00 0.00 N ATOM 105 CA LYS A 7 -4.280 -15.304 7.142 1.00 0.00 C ATOM 106 C LYS A 7 -4.669 -16.123 5.900 1.00 0.00 C ATOM 107 O LYS A 7 -5.829 -16.487 5.706 1.00 0.00 O ATOM 108 CB LYS A 7 -4.036 -16.190 8.386 1.00 0.00 C ATOM 109 CG LYS A 7 -4.929 -17.437 8.532 1.00 0.00 C ATOM 110 CD LYS A 7 -6.449 -17.177 8.549 1.00 0.00 C ATOM 111 CE LYS A 7 -7.195 -18.405 8.017 1.00 0.00 C ATOM 112 NZ LYS A 7 -7.134 -19.564 8.950 1.00 0.00 N ATOM 0 H LYS A 7 -5.750 -14.428 8.344 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.341 -14.821 6.870 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.996 -16.516 8.373 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.166 -15.572 9.275 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.705 -18.119 7.711 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.657 -17.949 9.455 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.777 -16.953 9.564 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.684 -16.305 7.939 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.238 -18.142 7.838 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.770 -18.695 7.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.654 -20.366 8.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.142 -19.836 9.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.564 -19.300 9.860 1.00 0.00 H new ATOM 126 N TYR A 8 -3.672 -16.487 5.105 1.00 0.00 N ATOM 127 CA TYR A 8 -3.771 -17.429 3.983 1.00 0.00 C ATOM 128 C TYR A 8 -2.387 -18.042 3.739 1.00 0.00 C ATOM 129 O TYR A 8 -1.396 -17.319 3.782 1.00 0.00 O ATOM 130 CB TYR A 8 -4.256 -16.703 2.712 1.00 0.00 C ATOM 131 CG TYR A 8 -5.663 -16.131 2.796 1.00 0.00 C ATOM 132 CD1 TYR A 8 -6.781 -16.961 2.586 1.00 0.00 C ATOM 133 CD2 TYR A 8 -5.856 -14.787 3.172 1.00 0.00 C ATOM 134 CE1 TYR A 8 -8.084 -16.442 2.719 1.00 0.00 C ATOM 135 CE2 TYR A 8 -7.155 -14.262 3.311 1.00 0.00 C ATOM 136 CZ TYR A 8 -8.276 -15.089 3.076 1.00 0.00 C ATOM 137 OH TYR A 8 -9.539 -14.599 3.215 1.00 0.00 O ATOM 0 H TYR A 8 -2.727 -16.121 5.224 1.00 0.00 H new ATOM 0 HA TYR A 8 -4.491 -18.211 4.224 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -3.563 -15.892 2.488 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -4.213 -17.400 1.875 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -6.639 -17.999 2.322 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -5.000 -14.154 3.355 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -8.938 -17.080 2.548 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -7.294 -13.230 3.597 1.00 0.00 H new ATOM 0 HH TYR A 8 -9.497 -13.652 3.465 1.00 0.00 H new ATOM 147 N ASP A 9 -2.305 -19.356 3.496 1.00 0.00 N ATOM 148 CA ASP A 9 -1.058 -20.103 3.218 1.00 0.00 C ATOM 149 C ASP A 9 0.139 -19.751 4.143 1.00 0.00 C ATOM 150 O ASP A 9 1.287 -19.651 3.701 1.00 0.00 O ATOM 151 CB ASP A 9 -0.721 -19.998 1.717 1.00 0.00 C ATOM 152 CG ASP A 9 -1.825 -20.593 0.829 1.00 0.00 C ATOM 153 OD1 ASP A 9 -2.044 -21.828 0.880 1.00 0.00 O ATOM 154 OD2 ASP A 9 -2.470 -19.836 0.063 1.00 0.00 O ATOM 0 H ASP A 9 -3.130 -19.955 3.486 1.00 0.00 H new ATOM 0 HA ASP A 9 -1.249 -21.147 3.466 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.570 -18.951 1.453 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.218 -20.515 1.521 1.00 0.00 H new ATOM 159 N ASN A 10 -0.132 -19.556 5.443 1.00 0.00 N ATOM 160 CA ASN A 10 0.826 -19.120 6.476 1.00 0.00 C ATOM 161 C ASN A 10 1.513 -17.764 6.196 1.00 0.00 C ATOM 162 O ASN A 10 2.698 -17.573 6.489 1.00 0.00 O ATOM 163 CB ASN A 10 1.790 -20.272 6.837 1.00 0.00 C ATOM 164 CG ASN A 10 1.072 -21.520 7.326 1.00 0.00 C ATOM 165 OD1 ASN A 10 0.210 -21.475 8.194 1.00 0.00 O ATOM 166 ND2 ASN A 10 1.397 -22.677 6.792 1.00 0.00 N ATOM 0 H ASN A 10 -1.067 -19.704 5.822 1.00 0.00 H new ATOM 0 HA ASN A 10 0.247 -18.893 7.371 1.00 0.00 H new ATOM 0 HB2 ASN A 10 2.389 -20.524 5.962 1.00 0.00 H new ATOM 0 HB3 ASN A 10 2.481 -19.932 7.609 1.00 0.00 H new ATOM 0 HD21 ASN A 10 0.932 -23.530 7.101 1.00 0.00 H new ATOM 0 HD22 ASN A 10 2.114 -22.721 6.068 1.00 0.00 H new ATOM 173 N VAL A 11 0.745 -16.799 5.682 1.00 0.00 N ATOM 174 CA VAL A 11 1.144 -15.392 5.494 1.00 0.00 C ATOM 175 C VAL A 11 0.063 -14.447 6.023 1.00 0.00 C ATOM 176 O VAL A 11 -1.122 -14.788 6.044 1.00 0.00 O ATOM 177 CB VAL A 11 1.438 -15.045 4.012 1.00 0.00 C ATOM 178 CG1 VAL A 11 2.592 -14.042 3.941 1.00 0.00 C ATOM 179 CG2 VAL A 11 1.818 -16.238 3.131 1.00 0.00 C ATOM 0 H VAL A 11 -0.210 -16.979 5.372 1.00 0.00 H new ATOM 0 HA VAL A 11 2.066 -15.260 6.060 1.00 0.00 H new ATOM 0 HB VAL A 11 0.501 -14.644 3.627 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.799 -13.798 2.899 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.319 -13.134 4.479 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.482 -14.478 4.395 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.004 -15.894 2.114 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.718 -16.709 3.525 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.002 -16.961 3.126 1.00 0.00 H new ATOM 189 N ASN A 12 0.479 -13.247 6.428 1.00 0.00 N ATOM 190 CA ASN A 12 -0.365 -12.154 6.918 1.00 0.00 C ATOM 191 C ASN A 12 0.228 -10.794 6.536 1.00 0.00 C ATOM 192 O ASN A 12 1.387 -10.689 6.127 1.00 0.00 O ATOM 193 CB ASN A 12 -0.462 -12.236 8.454 1.00 0.00 C ATOM 194 CG ASN A 12 -1.650 -13.046 8.921 1.00 0.00 C ATOM 195 OD1 ASN A 12 -2.795 -12.669 8.720 1.00 0.00 O ATOM 196 ND2 ASN A 12 -1.431 -14.154 9.587 1.00 0.00 N ATOM 0 H ASN A 12 1.468 -12.996 6.423 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.352 -12.251 6.465 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.452 -12.679 8.849 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.531 -11.228 8.864 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -2.217 -14.702 9.938 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -0.475 -14.468 9.754 1.00 0.00 H new ATOM 203 N LEU A 13 -0.550 -9.737 6.780 1.00 0.00 N ATOM 204 CA LEU A 13 -0.100 -8.349 6.658 1.00 0.00 C ATOM 205 C LEU A 13 1.174 -8.040 7.454 1.00 0.00 C ATOM 206 O LEU A 13 2.030 -7.307 6.972 1.00 0.00 O ATOM 207 CB LEU A 13 -1.231 -7.403 7.097 1.00 0.00 C ATOM 208 CG LEU A 13 -1.866 -6.658 5.920 1.00 0.00 C ATOM 209 CD1 LEU A 13 -2.951 -5.730 6.475 1.00 0.00 C ATOM 210 CD2 LEU A 13 -0.844 -5.802 5.174 1.00 0.00 C ATOM 0 H LEU A 13 -1.524 -9.823 7.072 1.00 0.00 H new ATOM 0 HA LEU A 13 0.150 -8.193 5.609 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.999 -7.977 7.616 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.838 -6.679 7.811 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.272 -7.393 5.225 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.420 -5.187 5.654 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.704 -6.321 6.996 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.502 -5.021 7.170 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.334 -5.290 4.346 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.419 -5.066 5.856 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.049 -6.439 4.787 1.00 0.00 H new ATOM 222 N ASP A 14 1.336 -8.627 8.640 1.00 0.00 N ATOM 223 CA ASP A 14 2.541 -8.456 9.459 1.00 0.00 C ATOM 224 C ASP A 14 3.831 -8.836 8.714 1.00 0.00 C ATOM 225 O ASP A 14 4.861 -8.189 8.901 1.00 0.00 O ATOM 226 CB ASP A 14 2.418 -9.299 10.732 1.00 0.00 C ATOM 227 CG ASP A 14 1.314 -8.784 11.664 1.00 0.00 C ATOM 228 OD1 ASP A 14 1.593 -7.894 12.504 1.00 0.00 O ATOM 229 OD2 ASP A 14 0.162 -9.274 11.561 1.00 0.00 O ATOM 0 H ASP A 14 0.635 -9.236 9.063 1.00 0.00 H new ATOM 0 HA ASP A 14 2.614 -7.396 9.705 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.209 -10.334 10.461 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.370 -9.294 11.262 1.00 0.00 H new ATOM 234 N GLU A 15 3.777 -9.842 7.837 1.00 0.00 N ATOM 235 CA GLU A 15 4.901 -10.227 6.980 1.00 0.00 C ATOM 236 C GLU A 15 5.050 -9.281 5.773 1.00 0.00 C ATOM 237 O GLU A 15 6.166 -9.026 5.346 1.00 0.00 O ATOM 238 CB GLU A 15 4.719 -11.689 6.527 1.00 0.00 C ATOM 239 CG GLU A 15 5.964 -12.307 5.866 1.00 0.00 C ATOM 240 CD GLU A 15 7.187 -12.497 6.787 1.00 0.00 C ATOM 241 OE1 GLU A 15 7.036 -12.605 8.028 1.00 0.00 O ATOM 242 OE2 GLU A 15 8.322 -12.571 6.252 1.00 0.00 O ATOM 0 H GLU A 15 2.945 -10.417 7.701 1.00 0.00 H new ATOM 0 HA GLU A 15 5.823 -10.143 7.555 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.443 -12.293 7.391 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.887 -11.739 5.825 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.689 -13.278 5.453 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.258 -11.676 5.028 1.00 0.00 H new ATOM 249 N ILE A 16 3.961 -8.711 5.246 1.00 0.00 N ATOM 250 CA ILE A 16 3.967 -7.805 4.069 1.00 0.00 C ATOM 251 C ILE A 16 4.878 -6.594 4.287 1.00 0.00 C ATOM 252 O ILE A 16 5.831 -6.396 3.534 1.00 0.00 O ATOM 253 CB ILE A 16 2.512 -7.455 3.629 1.00 0.00 C ATOM 254 CG1 ILE A 16 1.817 -8.702 3.037 1.00 0.00 C ATOM 255 CG2 ILE A 16 2.375 -6.296 2.636 1.00 0.00 C ATOM 256 CD1 ILE A 16 2.498 -9.259 1.767 1.00 0.00 C ATOM 0 H ILE A 16 3.027 -8.863 5.626 1.00 0.00 H new ATOM 0 HA ILE A 16 4.410 -8.330 3.223 1.00 0.00 H new ATOM 0 HB ILE A 16 2.030 -7.118 4.547 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.791 -9.485 3.795 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.783 -8.451 2.802 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.322 -6.141 2.401 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.786 -5.388 3.078 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.920 -6.533 1.722 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.950 -10.133 1.414 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.501 -8.494 0.990 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.524 -9.544 1.999 1.00 0.00 H new ATOM 268 N LEU A 17 4.671 -5.836 5.362 1.00 0.00 N ATOM 269 CA LEU A 17 5.508 -4.674 5.705 1.00 0.00 C ATOM 270 C LEU A 17 6.914 -5.098 6.166 1.00 0.00 C ATOM 271 O LEU A 17 7.892 -4.402 5.886 1.00 0.00 O ATOM 272 CB LEU A 17 4.853 -3.797 6.799 1.00 0.00 C ATOM 273 CG LEU A 17 3.699 -4.434 7.599 1.00 0.00 C ATOM 274 CD1 LEU A 17 3.419 -3.655 8.873 1.00 0.00 C ATOM 275 CD2 LEU A 17 2.403 -4.330 6.808 1.00 0.00 C ATOM 0 H LEU A 17 3.916 -6.006 6.026 1.00 0.00 H new ATOM 0 HA LEU A 17 5.600 -4.086 4.792 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.629 -3.495 7.503 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.479 -2.888 6.328 1.00 0.00 H new ATOM 0 HG LEU A 17 3.996 -5.462 7.806 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.601 -4.128 9.416 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.312 -3.646 9.498 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.143 -2.631 8.620 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.591 -4.782 7.378 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.174 -3.281 6.620 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.514 -4.853 5.858 1.00 0.00 H new ATOM 287 N ALA A 18 7.017 -6.225 6.879 1.00 0.00 N ATOM 288 CA ALA A 18 8.282 -6.742 7.404 1.00 0.00 C ATOM 289 C ALA A 18 9.205 -7.336 6.314 1.00 0.00 C ATOM 290 O ALA A 18 10.422 -7.409 6.500 1.00 0.00 O ATOM 291 CB ALA A 18 7.963 -7.805 8.458 1.00 0.00 C ATOM 0 H ALA A 18 6.213 -6.810 7.110 1.00 0.00 H new ATOM 0 HA ALA A 18 8.831 -5.905 7.836 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.892 -8.205 8.864 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.379 -7.357 9.262 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.390 -8.611 8.000 1.00 0.00 H new ATOM 297 N ASN A 19 8.633 -7.747 5.179 1.00 0.00 N ATOM 298 CA ASN A 19 9.285 -8.463 4.088 1.00 0.00 C ATOM 299 C ASN A 19 9.161 -7.650 2.793 1.00 0.00 C ATOM 300 O ASN A 19 8.261 -7.856 1.977 1.00 0.00 O ATOM 301 CB ASN A 19 8.696 -9.879 3.958 1.00 0.00 C ATOM 302 CG ASN A 19 9.659 -10.844 3.303 1.00 0.00 C ATOM 303 OD1 ASN A 19 10.293 -10.541 2.305 1.00 0.00 O ATOM 304 ND2 ASN A 19 9.822 -12.022 3.856 1.00 0.00 N ATOM 0 H ASN A 19 7.645 -7.577 4.990 1.00 0.00 H new ATOM 0 HA ASN A 19 10.348 -8.581 4.299 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.429 -10.251 4.947 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.776 -9.835 3.375 1.00 0.00 H new ATOM 0 HD21 ASN A 19 10.480 -12.688 3.452 1.00 0.00 H new ATOM 0 HD22 ASN A 19 9.291 -12.272 4.690 1.00 0.00 H new ATOM 311 N ASP A 20 10.073 -6.699 2.593 1.00 0.00 N ATOM 312 CA ASP A 20 10.098 -5.853 1.396 1.00 0.00 C ATOM 313 C ASP A 20 10.133 -6.648 0.078 1.00 0.00 C ATOM 314 O ASP A 20 9.651 -6.158 -0.942 1.00 0.00 O ATOM 315 CB ASP A 20 11.279 -4.878 1.466 1.00 0.00 C ATOM 316 CG ASP A 20 12.646 -5.568 1.305 1.00 0.00 C ATOM 317 OD1 ASP A 20 13.116 -6.212 2.272 1.00 0.00 O ATOM 318 OD2 ASP A 20 13.249 -5.464 0.211 1.00 0.00 O ATOM 0 H ASP A 20 10.818 -6.492 3.258 1.00 0.00 H new ATOM 0 HA ASP A 20 9.159 -5.299 1.389 1.00 0.00 H new ATOM 0 HB2 ASP A 20 11.166 -4.124 0.687 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.254 -4.355 2.422 1.00 0.00 H new ATOM 323 N ARG A 21 10.652 -7.884 0.094 1.00 0.00 N ATOM 324 CA ARG A 21 10.617 -8.817 -1.050 1.00 0.00 C ATOM 325 C ARG A 21 9.183 -9.151 -1.487 1.00 0.00 C ATOM 326 O ARG A 21 8.918 -9.233 -2.687 1.00 0.00 O ATOM 327 CB ARG A 21 11.386 -10.123 -0.753 1.00 0.00 C ATOM 328 CG ARG A 21 12.700 -9.945 0.031 1.00 0.00 C ATOM 329 CD ARG A 21 13.468 -11.264 0.200 1.00 0.00 C ATOM 330 NE ARG A 21 14.084 -11.724 -1.063 1.00 0.00 N ATOM 331 CZ ARG A 21 13.707 -12.729 -1.835 1.00 0.00 C ATOM 332 NH1 ARG A 21 12.657 -13.458 -1.575 1.00 0.00 N ATOM 333 NH2 ARG A 21 14.387 -13.023 -2.904 1.00 0.00 N ATOM 0 H ARG A 21 11.117 -8.274 0.914 1.00 0.00 H new ATOM 0 HA ARG A 21 11.113 -8.298 -1.871 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.733 -10.791 -0.190 1.00 0.00 H new ATOM 0 HB3 ARG A 21 11.609 -10.618 -1.698 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.333 -9.224 -0.486 1.00 0.00 H new ATOM 0 HG3 ARG A 21 12.479 -9.528 1.014 1.00 0.00 H new ATOM 0 HD2 ARG A 21 14.245 -11.135 0.954 1.00 0.00 H new ATOM 0 HD3 ARG A 21 12.789 -12.032 0.570 1.00 0.00 H new ATOM 0 HE ARG A 21 14.901 -11.201 -1.378 1.00 0.00 H new ATOM 0 HH11 ARG A 21 12.092 -13.262 -0.749 1.00 0.00 H new ATOM 0 HH12 ARG A 21 12.401 -14.224 -2.198 1.00 0.00 H new ATOM 0 HH21 ARG A 21 15.214 -12.478 -3.149 1.00 0.00 H new ATOM 0 HH22 ARG A 21 14.094 -13.799 -3.498 1.00 0.00 H new ATOM 347 N LEU A 22 8.254 -9.292 -0.532 1.00 0.00 N ATOM 348 CA LEU A 22 6.811 -9.367 -0.801 1.00 0.00 C ATOM 349 C LEU A 22 6.281 -7.996 -1.227 1.00 0.00 C ATOM 350 O LEU A 22 5.595 -7.884 -2.243 1.00 0.00 O ATOM 351 CB LEU A 22 6.025 -9.821 0.447 1.00 0.00 C ATOM 352 CG LEU A 22 6.493 -11.125 1.107 1.00 0.00 C ATOM 353 CD1 LEU A 22 5.710 -11.388 2.389 1.00 0.00 C ATOM 354 CD2 LEU A 22 6.264 -12.333 0.213 1.00 0.00 C ATOM 0 H LEU A 22 8.485 -9.358 0.459 1.00 0.00 H new ATOM 0 HA LEU A 22 6.670 -10.097 -1.598 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.073 -9.025 1.190 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.977 -9.935 0.169 1.00 0.00 H new ATOM 0 HG LEU A 22 7.558 -10.996 1.302 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.056 -12.317 2.843 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.865 -10.564 3.086 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.648 -11.471 2.156 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.610 -13.233 0.721 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.200 -12.427 -0.007 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.817 -12.207 -0.718 1.00 0.00 H new ATOM 366 N LEU A 23 6.622 -6.948 -0.468 1.00 0.00 N ATOM 367 CA LEU A 23 6.086 -5.601 -0.665 1.00 0.00 C ATOM 368 C LEU A 23 6.335 -5.094 -2.100 1.00 0.00 C ATOM 369 O LEU A 23 5.417 -4.609 -2.754 1.00 0.00 O ATOM 370 CB LEU A 23 6.658 -4.650 0.410 1.00 0.00 C ATOM 371 CG LEU A 23 5.716 -3.524 0.847 1.00 0.00 C ATOM 372 CD1 LEU A 23 5.058 -2.806 -0.325 1.00 0.00 C ATOM 373 CD2 LEU A 23 4.660 -4.091 1.779 1.00 0.00 C ATOM 0 H LEU A 23 7.283 -7.014 0.306 1.00 0.00 H new ATOM 0 HA LEU A 23 5.003 -5.629 -0.544 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.928 -5.238 1.287 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.578 -4.206 0.029 1.00 0.00 H new ATOM 0 HG LEU A 23 6.317 -2.776 1.364 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.403 -2.020 0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.827 -2.365 -0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.473 -3.519 -0.906 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.986 -3.294 2.093 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.092 -4.862 1.259 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.143 -4.525 2.655 1.00 0.00 H new ATOM 385 N ASN A 24 7.545 -5.297 -2.636 1.00 0.00 N ATOM 386 CA ASN A 24 7.930 -4.934 -4.008 1.00 0.00 C ATOM 387 C ASN A 24 6.991 -5.510 -5.086 1.00 0.00 C ATOM 388 O ASN A 24 6.750 -4.840 -6.089 1.00 0.00 O ATOM 389 CB ASN A 24 9.388 -5.345 -4.276 1.00 0.00 C ATOM 390 CG ASN A 24 10.366 -4.254 -3.876 1.00 0.00 C ATOM 391 OD1 ASN A 24 10.796 -3.439 -4.679 1.00 0.00 O ATOM 392 ND2 ASN A 24 10.735 -4.185 -2.620 1.00 0.00 N ATOM 0 H ASN A 24 8.306 -5.731 -2.113 1.00 0.00 H new ATOM 0 HA ASN A 24 7.836 -3.850 -4.080 1.00 0.00 H new ATOM 0 HB2 ASN A 24 9.616 -6.257 -3.724 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.512 -5.574 -5.334 1.00 0.00 H new ATOM 0 HD21 ASN A 24 11.378 -3.454 -2.317 1.00 0.00 H new ATOM 0 HD22 ASN A 24 10.379 -4.863 -1.946 1.00 0.00 H new ATOM 399 N LYS A 25 6.419 -6.703 -4.876 1.00 0.00 N ATOM 400 CA LYS A 25 5.414 -7.306 -5.772 1.00 0.00 C ATOM 401 C LYS A 25 4.053 -6.611 -5.629 1.00 0.00 C ATOM 402 O LYS A 25 3.412 -6.277 -6.626 1.00 0.00 O ATOM 403 CB LYS A 25 5.316 -8.811 -5.455 1.00 0.00 C ATOM 404 CG LYS A 25 4.450 -9.590 -6.461 1.00 0.00 C ATOM 405 CD LYS A 25 4.201 -11.041 -6.014 1.00 0.00 C ATOM 406 CE LYS A 25 5.463 -11.897 -5.818 1.00 0.00 C ATOM 407 NZ LYS A 25 6.165 -12.180 -7.099 1.00 0.00 N ATOM 0 H LYS A 25 6.642 -7.287 -4.070 1.00 0.00 H new ATOM 0 HA LYS A 25 5.722 -7.174 -6.809 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.319 -9.238 -5.442 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.902 -8.938 -4.455 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.494 -9.081 -6.585 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.940 -9.591 -7.435 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.645 -11.024 -5.077 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.564 -11.527 -6.753 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.145 -11.383 -5.140 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.189 -12.839 -5.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.008 -12.760 -6.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.526 -12.694 -7.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.452 -11.284 -7.543 1.00 0.00 H new ATOM 421 N TYR A 26 3.647 -6.340 -4.387 1.00 0.00 N ATOM 422 CA TYR A 26 2.390 -5.665 -4.044 1.00 0.00 C ATOM 423 C TYR A 26 2.333 -4.222 -4.584 1.00 0.00 C ATOM 424 O TYR A 26 1.274 -3.787 -5.028 1.00 0.00 O ATOM 425 CB TYR A 26 2.170 -5.705 -2.518 1.00 0.00 C ATOM 426 CG TYR A 26 1.629 -7.016 -1.957 1.00 0.00 C ATOM 427 CD1 TYR A 26 2.278 -8.244 -2.203 1.00 0.00 C ATOM 428 CD2 TYR A 26 0.464 -7.004 -1.166 1.00 0.00 C ATOM 429 CE1 TYR A 26 1.745 -9.450 -1.708 1.00 0.00 C ATOM 430 CE2 TYR A 26 -0.068 -8.206 -0.656 1.00 0.00 C ATOM 431 CZ TYR A 26 0.555 -9.436 -0.950 1.00 0.00 C ATOM 432 OH TYR A 26 0.002 -10.598 -0.508 1.00 0.00 O ATOM 0 H TYR A 26 4.199 -6.591 -3.567 1.00 0.00 H new ATOM 0 HA TYR A 26 1.578 -6.205 -4.530 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.119 -5.487 -2.028 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.480 -4.905 -2.249 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.193 -8.260 -2.777 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.026 -6.066 -0.948 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.247 -10.385 -1.909 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.954 -8.184 -0.039 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.814 -10.400 -0.002 1.00 0.00 H new ATOM 442 N VAL A 27 3.459 -3.495 -4.614 1.00 0.00 N ATOM 443 CA VAL A 27 3.560 -2.168 -5.264 1.00 0.00 C ATOM 444 C VAL A 27 3.645 -2.257 -6.783 1.00 0.00 C ATOM 445 O VAL A 27 2.986 -1.482 -7.467 1.00 0.00 O ATOM 446 CB VAL A 27 4.713 -1.303 -4.716 1.00 0.00 C ATOM 447 CG1 VAL A 27 4.459 -1.002 -3.242 1.00 0.00 C ATOM 448 CG2 VAL A 27 6.087 -1.955 -4.833 1.00 0.00 C ATOM 0 H VAL A 27 4.332 -3.807 -4.188 1.00 0.00 H new ATOM 0 HA VAL A 27 2.626 -1.668 -5.007 1.00 0.00 H new ATOM 0 HB VAL A 27 4.728 -0.400 -5.326 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.272 -0.391 -2.850 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.517 -0.464 -3.138 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.406 -1.937 -2.684 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.844 -1.284 -4.426 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.094 -2.891 -4.275 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.306 -2.156 -5.882 1.00 0.00 H new ATOM 458 N GLN A 28 4.369 -3.229 -7.345 1.00 0.00 N ATOM 459 CA GLN A 28 4.477 -3.430 -8.804 1.00 0.00 C ATOM 460 C GLN A 28 3.113 -3.467 -9.513 1.00 0.00 C ATOM 461 O GLN A 28 2.997 -2.974 -10.633 1.00 0.00 O ATOM 462 CB GLN A 28 5.239 -4.736 -9.084 1.00 0.00 C ATOM 463 CG GLN A 28 6.466 -4.515 -9.980 1.00 0.00 C ATOM 464 CD GLN A 28 7.495 -5.640 -9.848 1.00 0.00 C ATOM 465 OE1 GLN A 28 8.632 -5.436 -9.445 1.00 0.00 O ATOM 466 NE2 GLN A 28 7.149 -6.868 -10.176 1.00 0.00 N ATOM 0 H GLN A 28 4.903 -3.907 -6.801 1.00 0.00 H new ATOM 0 HA GLN A 28 5.017 -2.573 -9.205 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.557 -5.178 -8.140 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.568 -5.450 -9.561 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.145 -4.440 -11.019 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.935 -3.565 -9.722 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.206 -7.059 -10.514 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.824 -7.628 -10.092 1.00 0.00 H new ATOM 475 N CYS A 29 2.089 -3.961 -8.807 1.00 0.00 N ATOM 476 CA CYS A 29 0.675 -3.963 -9.183 1.00 0.00 C ATOM 477 C CYS A 29 0.133 -2.634 -9.752 1.00 0.00 C ATOM 478 O CYS A 29 -0.763 -2.641 -10.600 1.00 0.00 O ATOM 479 CB CYS A 29 -0.114 -4.371 -7.936 1.00 0.00 C ATOM 480 SG CYS A 29 -1.910 -4.448 -8.109 1.00 0.00 S ATOM 0 H CYS A 29 2.239 -4.398 -7.898 1.00 0.00 H new ATOM 0 HA CYS A 29 0.557 -4.664 -10.010 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.240 -5.350 -7.613 1.00 0.00 H new ATOM 0 HB3 CYS A 29 0.122 -3.668 -7.137 1.00 0.00 H new ATOM 485 N LEU A 30 0.675 -1.500 -9.294 1.00 0.00 N ATOM 486 CA LEU A 30 0.293 -0.150 -9.726 1.00 0.00 C ATOM 487 C LEU A 30 1.488 0.757 -10.095 1.00 0.00 C ATOM 488 O LEU A 30 1.288 1.821 -10.684 1.00 0.00 O ATOM 489 CB LEU A 30 -0.685 0.489 -8.707 1.00 0.00 C ATOM 490 CG LEU A 30 -0.292 0.634 -7.218 1.00 0.00 C ATOM 491 CD1 LEU A 30 -0.341 -0.678 -6.430 1.00 0.00 C ATOM 492 CD2 LEU A 30 1.079 1.264 -7.006 1.00 0.00 C ATOM 0 H LEU A 30 1.414 -1.496 -8.591 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.241 -0.256 -10.670 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.923 1.487 -9.074 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.607 -0.092 -8.740 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.059 1.305 -6.832 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.052 -0.492 -5.396 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.353 -1.081 -6.457 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.348 -1.396 -6.876 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.286 1.333 -5.938 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.840 0.648 -7.484 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.092 2.262 -7.444 1.00 0.00 H new ATOM 504 N LEU A 31 2.722 0.340 -9.782 1.00 0.00 N ATOM 505 CA LEU A 31 3.960 1.033 -10.155 1.00 0.00 C ATOM 506 C LEU A 31 4.320 0.760 -11.628 1.00 0.00 C ATOM 507 O LEU A 31 4.662 1.692 -12.359 1.00 0.00 O ATOM 508 CB LEU A 31 5.065 0.672 -9.123 1.00 0.00 C ATOM 509 CG LEU A 31 6.412 0.100 -9.617 1.00 0.00 C ATOM 510 CD1 LEU A 31 7.301 1.150 -10.268 1.00 0.00 C ATOM 511 CD2 LEU A 31 7.195 -0.479 -8.438 1.00 0.00 C ATOM 0 H LEU A 31 2.890 -0.512 -9.248 1.00 0.00 H new ATOM 0 HA LEU A 31 3.837 2.115 -10.109 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.284 1.573 -8.550 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.639 -0.051 -8.428 1.00 0.00 H new ATOM 0 HG LEU A 31 6.162 -0.660 -10.357 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.232 0.687 -10.594 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.788 1.578 -11.129 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.521 1.938 -9.548 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.144 -0.881 -8.794 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.385 0.306 -7.706 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.615 -1.276 -7.972 1.00 0.00 H new ATOM 523 N GLU A 32 4.208 -0.491 -12.088 1.00 0.00 N ATOM 524 CA GLU A 32 4.470 -0.845 -13.490 1.00 0.00 C ATOM 525 C GLU A 32 3.296 -0.477 -14.423 1.00 0.00 C ATOM 526 O GLU A 32 2.176 -0.203 -13.983 1.00 0.00 O ATOM 527 CB GLU A 32 4.811 -2.343 -13.616 1.00 0.00 C ATOM 528 CG GLU A 32 6.237 -2.665 -13.147 1.00 0.00 C ATOM 529 CD GLU A 32 7.342 -1.965 -13.970 1.00 0.00 C ATOM 530 OE1 GLU A 32 7.159 -1.731 -15.190 1.00 0.00 O ATOM 531 OE2 GLU A 32 8.415 -1.652 -13.398 1.00 0.00 O ATOM 0 H GLU A 32 3.935 -1.282 -11.505 1.00 0.00 H new ATOM 0 HA GLU A 32 5.329 -0.255 -13.811 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.100 -2.924 -13.030 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.696 -2.652 -14.655 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.339 -2.375 -12.101 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.390 -3.743 -13.196 1.00 0.00 H new ATOM 538 N ASP A 33 3.540 -0.514 -15.737 1.00 0.00 N ATOM 539 CA ASP A 33 2.537 -0.287 -16.795 1.00 0.00 C ATOM 540 C ASP A 33 1.562 -1.480 -17.007 1.00 0.00 C ATOM 541 O ASP A 33 0.762 -1.485 -17.945 1.00 0.00 O ATOM 542 CB ASP A 33 3.288 0.078 -18.088 1.00 0.00 C ATOM 543 CG ASP A 33 2.381 0.692 -19.173 1.00 0.00 C ATOM 544 OD1 ASP A 33 1.657 1.674 -18.878 1.00 0.00 O ATOM 545 OD2 ASP A 33 2.438 0.241 -20.343 1.00 0.00 O ATOM 0 H ASP A 33 4.469 -0.709 -16.110 1.00 0.00 H new ATOM 0 HA ASP A 33 1.889 0.532 -16.484 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.084 0.783 -17.850 1.00 0.00 H new ATOM 0 HB3 ASP A 33 3.764 -0.817 -18.488 1.00 0.00 H new ATOM 550 N ASP A 34 1.609 -2.496 -16.138 1.00 0.00 N ATOM 551 CA ASP A 34 0.815 -3.732 -16.181 1.00 0.00 C ATOM 552 C ASP A 34 0.342 -4.140 -14.771 1.00 0.00 C ATOM 553 O ASP A 34 0.946 -3.762 -13.766 1.00 0.00 O ATOM 554 CB ASP A 34 1.662 -4.867 -16.782 1.00 0.00 C ATOM 555 CG ASP A 34 1.938 -4.683 -18.283 1.00 0.00 C ATOM 556 OD1 ASP A 34 1.020 -4.941 -19.100 1.00 0.00 O ATOM 557 OD2 ASP A 34 3.085 -4.335 -18.657 1.00 0.00 O ATOM 0 H ASP A 34 2.240 -2.477 -15.337 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.063 -3.551 -16.800 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.611 -4.926 -16.249 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.149 -5.816 -16.627 1.00 0.00 H new ATOM 562 N GLU A 35 -0.713 -4.962 -14.702 1.00 0.00 N ATOM 563 CA GLU A 35 -1.366 -5.402 -13.450 1.00 0.00 C ATOM 564 C GLU A 35 -1.449 -6.935 -13.295 1.00 0.00 C ATOM 565 O GLU A 35 -2.058 -7.451 -12.356 1.00 0.00 O ATOM 566 CB GLU A 35 -2.744 -4.724 -13.315 1.00 0.00 C ATOM 567 CG GLU A 35 -3.746 -5.135 -14.404 1.00 0.00 C ATOM 568 CD GLU A 35 -5.097 -4.420 -14.210 1.00 0.00 C ATOM 569 OE1 GLU A 35 -5.973 -4.948 -13.481 1.00 0.00 O ATOM 570 OE2 GLU A 35 -5.302 -3.328 -14.796 1.00 0.00 O ATOM 0 H GLU A 35 -1.152 -5.353 -15.535 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.731 -5.081 -12.624 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.163 -4.966 -12.338 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.611 -3.643 -13.346 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.340 -4.893 -15.386 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.895 -6.214 -14.378 1.00 0.00 H new ATOM 577 N SER A 36 -0.788 -7.684 -14.184 1.00 0.00 N ATOM 578 CA SER A 36 -0.674 -9.158 -14.106 1.00 0.00 C ATOM 579 C SER A 36 0.124 -9.653 -12.885 1.00 0.00 C ATOM 580 O SER A 36 0.111 -10.841 -12.560 1.00 0.00 O ATOM 581 CB SER A 36 -0.003 -9.706 -15.367 1.00 0.00 C ATOM 582 OG SER A 36 -0.797 -9.476 -16.523 1.00 0.00 O ATOM 0 H SER A 36 -0.308 -7.286 -14.991 1.00 0.00 H new ATOM 0 HA SER A 36 -1.696 -9.525 -14.008 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.972 -9.236 -15.495 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.172 -10.776 -15.252 1.00 0.00 H new ATOM 0 HG SER A 36 -0.339 -9.836 -17.311 1.00 0.00 H new ATOM 588 N ASN A 37 0.821 -8.737 -12.208 1.00 0.00 N ATOM 589 CA ASN A 37 1.673 -8.957 -11.038 1.00 0.00 C ATOM 590 C ASN A 37 0.979 -8.629 -9.695 1.00 0.00 C ATOM 591 O ASN A 37 1.590 -8.798 -8.638 1.00 0.00 O ATOM 592 CB ASN A 37 2.994 -8.186 -11.260 1.00 0.00 C ATOM 593 CG ASN A 37 2.805 -6.714 -11.598 1.00 0.00 C ATOM 594 OD1 ASN A 37 1.767 -6.125 -11.356 1.00 0.00 O ATOM 595 ND2 ASN A 37 3.770 -6.078 -12.218 1.00 0.00 N ATOM 0 H ASN A 37 0.803 -7.755 -12.482 1.00 0.00 H new ATOM 0 HA ASN A 37 1.890 -10.021 -10.946 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.604 -8.266 -10.360 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.550 -8.664 -12.066 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.645 -5.103 -12.491 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.645 -6.558 -12.427 1.00 0.00 H new ATOM 602 N CYS A 38 -0.295 -8.215 -9.706 1.00 0.00 N ATOM 603 CA CYS A 38 -1.110 -8.119 -8.486 1.00 0.00 C ATOM 604 C CYS A 38 -1.429 -9.523 -7.925 1.00 0.00 C ATOM 605 O CYS A 38 -1.844 -10.411 -8.677 1.00 0.00 O ATOM 606 CB CYS A 38 -2.414 -7.361 -8.782 1.00 0.00 C ATOM 607 SG CYS A 38 -2.253 -5.761 -9.614 1.00 0.00 S ATOM 0 H CYS A 38 -0.788 -7.939 -10.555 1.00 0.00 H new ATOM 0 HA CYS A 38 -0.540 -7.572 -7.735 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -3.048 -8.001 -9.395 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -2.937 -7.203 -7.839 1.00 0.00 H new ATOM 612 N THR A 39 -1.273 -9.735 -6.612 1.00 0.00 N ATOM 613 CA THR A 39 -1.622 -11.009 -5.944 1.00 0.00 C ATOM 614 C THR A 39 -3.094 -11.042 -5.513 1.00 0.00 C ATOM 615 O THR A 39 -3.750 -10.002 -5.445 1.00 0.00 O ATOM 616 CB THR A 39 -0.736 -11.265 -4.714 1.00 0.00 C ATOM 617 OG1 THR A 39 -0.957 -10.267 -3.750 1.00 0.00 O ATOM 618 CG2 THR A 39 0.754 -11.270 -5.048 1.00 0.00 C ATOM 0 H THR A 39 -0.901 -9.030 -5.976 1.00 0.00 H new ATOM 0 HA THR A 39 -1.450 -11.795 -6.680 1.00 0.00 H new ATOM 0 HB THR A 39 -1.009 -12.251 -4.338 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.213 -10.257 -3.113 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.330 -11.455 -4.141 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.961 -12.054 -5.776 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.036 -10.304 -5.466 1.00 0.00 H new ATOM 626 N ALA A 40 -3.619 -12.228 -5.182 1.00 0.00 N ATOM 627 CA ALA A 40 -5.023 -12.441 -4.799 1.00 0.00 C ATOM 628 C ALA A 40 -5.514 -11.594 -3.600 1.00 0.00 C ATOM 629 O ALA A 40 -6.712 -11.320 -3.498 1.00 0.00 O ATOM 630 CB ALA A 40 -5.226 -13.939 -4.537 1.00 0.00 C ATOM 0 H ALA A 40 -3.068 -13.087 -5.172 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.637 -12.096 -5.631 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.262 -14.121 -4.251 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.995 -14.501 -5.442 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.565 -14.260 -3.732 1.00 0.00 H new ATOM 636 N ASP A 41 -4.608 -11.151 -2.719 1.00 0.00 N ATOM 637 CA ASP A 41 -4.910 -10.253 -1.591 1.00 0.00 C ATOM 638 C ASP A 41 -4.255 -8.868 -1.739 1.00 0.00 C ATOM 639 O ASP A 41 -4.857 -7.864 -1.357 1.00 0.00 O ATOM 640 CB ASP A 41 -4.495 -10.933 -0.279 1.00 0.00 C ATOM 641 CG ASP A 41 -4.885 -10.084 0.943 1.00 0.00 C ATOM 642 OD1 ASP A 41 -6.100 -9.977 1.236 1.00 0.00 O ATOM 643 OD2 ASP A 41 -3.977 -9.543 1.617 1.00 0.00 O ATOM 0 H ASP A 41 -3.623 -11.411 -2.769 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.985 -10.071 -1.583 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.969 -11.912 -0.210 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.418 -11.100 -0.279 1.00 0.00 H new ATOM 648 N GLY A 42 -3.085 -8.767 -2.381 1.00 0.00 N ATOM 649 CA GLY A 42 -2.436 -7.491 -2.703 1.00 0.00 C ATOM 650 C GLY A 42 -3.273 -6.601 -3.617 1.00 0.00 C ATOM 651 O GLY A 42 -3.339 -5.388 -3.415 1.00 0.00 O ATOM 0 H GLY A 42 -2.556 -9.580 -2.695 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.226 -6.954 -1.778 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.477 -7.690 -3.180 1.00 0.00 H new ATOM 655 N LYS A 43 -3.986 -7.210 -4.573 1.00 0.00 N ATOM 656 CA LYS A 43 -4.973 -6.526 -5.423 1.00 0.00 C ATOM 657 C LYS A 43 -6.141 -5.922 -4.643 1.00 0.00 C ATOM 658 O LYS A 43 -6.680 -4.903 -5.061 1.00 0.00 O ATOM 659 CB LYS A 43 -5.454 -7.461 -6.547 1.00 0.00 C ATOM 660 CG LYS A 43 -6.473 -8.521 -6.105 1.00 0.00 C ATOM 661 CD LYS A 43 -7.913 -8.180 -6.508 1.00 0.00 C ATOM 662 CE LYS A 43 -8.185 -8.479 -7.989 1.00 0.00 C ATOM 663 NZ LYS A 43 -9.603 -8.211 -8.344 1.00 0.00 N ATOM 0 H LYS A 43 -3.894 -8.204 -4.782 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.463 -5.674 -5.873 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.898 -6.857 -7.339 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.589 -7.965 -6.977 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.199 -9.482 -6.539 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.423 -8.635 -5.022 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.607 -8.751 -5.890 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.104 -7.125 -6.311 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.531 -7.868 -8.611 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.946 -9.521 -8.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.755 -8.423 -9.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.225 -8.812 -7.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.823 -7.211 -8.164 1.00 0.00 H new ATOM 677 N GLU A 44 -6.530 -6.531 -3.524 1.00 0.00 N ATOM 678 CA GLU A 44 -7.589 -6.024 -2.658 1.00 0.00 C ATOM 679 C GLU A 44 -7.044 -4.912 -1.748 1.00 0.00 C ATOM 680 O GLU A 44 -7.636 -3.837 -1.666 1.00 0.00 O ATOM 681 CB GLU A 44 -8.178 -7.186 -1.841 1.00 0.00 C ATOM 682 CG GLU A 44 -9.567 -6.872 -1.280 1.00 0.00 C ATOM 683 CD GLU A 44 -10.650 -6.883 -2.378 1.00 0.00 C ATOM 684 OE1 GLU A 44 -11.183 -7.972 -2.699 1.00 0.00 O ATOM 685 OE2 GLU A 44 -10.980 -5.802 -2.922 1.00 0.00 O ATOM 0 H GLU A 44 -6.113 -7.400 -3.191 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.385 -5.591 -3.263 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.238 -8.074 -2.471 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.504 -7.424 -1.018 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.822 -7.603 -0.512 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.550 -5.895 -0.797 1.00 0.00 H new ATOM 692 N LEU A 45 -5.864 -5.130 -1.145 1.00 0.00 N ATOM 693 CA LEU A 45 -5.143 -4.156 -0.318 1.00 0.00 C ATOM 694 C LEU A 45 -4.913 -2.844 -1.083 1.00 0.00 C ATOM 695 O LEU A 45 -5.326 -1.783 -0.621 1.00 0.00 O ATOM 696 CB LEU A 45 -3.837 -4.812 0.196 1.00 0.00 C ATOM 697 CG LEU A 45 -2.846 -3.854 0.900 1.00 0.00 C ATOM 698 CD1 LEU A 45 -2.121 -4.520 2.079 1.00 0.00 C ATOM 699 CD2 LEU A 45 -1.762 -3.344 -0.056 1.00 0.00 C ATOM 0 H LEU A 45 -5.372 -6.020 -1.224 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.740 -3.878 0.551 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.100 -5.610 0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.328 -5.278 -0.648 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.463 -3.029 1.256 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.438 -3.805 2.537 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.852 -4.848 2.818 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.557 -5.381 1.720 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.089 -2.675 0.481 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.197 -4.189 -0.449 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.228 -2.805 -0.880 1.00 0.00 H new ATOM 711 N LYS A 46 -4.344 -2.899 -2.293 1.00 0.00 N ATOM 712 CA LYS A 46 -4.124 -1.696 -3.116 1.00 0.00 C ATOM 713 C LYS A 46 -5.430 -1.014 -3.534 1.00 0.00 C ATOM 714 O LYS A 46 -5.447 0.196 -3.728 1.00 0.00 O ATOM 715 CB LYS A 46 -3.210 -2.008 -4.318 1.00 0.00 C ATOM 716 CG LYS A 46 -3.938 -2.682 -5.495 1.00 0.00 C ATOM 717 CD LYS A 46 -4.413 -1.688 -6.575 1.00 0.00 C ATOM 718 CE LYS A 46 -5.602 -2.210 -7.398 1.00 0.00 C ATOM 719 NZ LYS A 46 -5.214 -3.261 -8.377 1.00 0.00 N ATOM 0 H LYS A 46 -4.026 -3.765 -2.728 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.606 -0.970 -2.490 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.756 -1.081 -4.667 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.398 -2.655 -3.987 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.272 -3.413 -5.953 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.799 -3.230 -5.113 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.694 -0.750 -6.097 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.583 -1.468 -7.247 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.356 -2.612 -6.722 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.062 -1.377 -7.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.304 -2.886 -9.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.229 -3.547 -8.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.838 -4.086 -8.267 1.00 0.00 H new ATOM 733 N SER A 47 -6.520 -1.774 -3.670 1.00 0.00 N ATOM 734 CA SER A 47 -7.832 -1.256 -4.094 1.00 0.00 C ATOM 735 C SER A 47 -8.511 -0.447 -2.983 1.00 0.00 C ATOM 736 O SER A 47 -9.199 0.538 -3.260 1.00 0.00 O ATOM 737 CB SER A 47 -8.741 -2.407 -4.545 1.00 0.00 C ATOM 738 OG SER A 47 -9.929 -1.909 -5.135 1.00 0.00 O ATOM 0 H SER A 47 -6.521 -2.778 -3.488 1.00 0.00 H new ATOM 0 HA SER A 47 -7.663 -0.584 -4.935 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.211 -3.036 -5.260 1.00 0.00 H new ATOM 0 HB3 SER A 47 -8.990 -3.036 -3.690 1.00 0.00 H new ATOM 0 HG SER A 47 -10.494 -2.659 -5.417 1.00 0.00 H new ATOM 744 N VAL A 48 -8.259 -0.799 -1.716 1.00 0.00 N ATOM 745 CA VAL A 48 -8.770 -0.064 -0.550 1.00 0.00 C ATOM 746 C VAL A 48 -7.842 1.066 -0.071 1.00 0.00 C ATOM 747 O VAL A 48 -8.315 2.000 0.580 1.00 0.00 O ATOM 748 CB VAL A 48 -9.122 -1.040 0.586 1.00 0.00 C ATOM 749 CG1 VAL A 48 -7.899 -1.741 1.160 1.00 0.00 C ATOM 750 CG2 VAL A 48 -9.808 -0.337 1.749 1.00 0.00 C ATOM 0 H VAL A 48 -7.690 -1.609 -1.468 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.680 0.440 -0.873 1.00 0.00 H new ATOM 0 HB VAL A 48 -9.789 -1.768 0.124 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.208 -2.417 1.957 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.403 -2.310 0.374 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.209 -0.999 1.561 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.039 -1.063 2.528 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -9.146 0.430 2.152 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.731 0.127 1.401 1.00 0.00 H new ATOM 760 N ILE A 49 -6.546 1.053 -0.423 1.00 0.00 N ATOM 761 CA ILE A 49 -5.617 2.136 -0.054 1.00 0.00 C ATOM 762 C ILE A 49 -6.165 3.527 -0.449 1.00 0.00 C ATOM 763 O ILE A 49 -6.188 4.410 0.411 1.00 0.00 O ATOM 764 CB ILE A 49 -4.176 1.913 -0.602 1.00 0.00 C ATOM 765 CG1 ILE A 49 -3.428 0.892 0.285 1.00 0.00 C ATOM 766 CG2 ILE A 49 -3.346 3.217 -0.664 1.00 0.00 C ATOM 767 CD1 ILE A 49 -2.034 0.478 -0.205 1.00 0.00 C ATOM 0 H ILE A 49 -6.116 0.303 -0.964 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.541 2.109 1.033 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.286 1.539 -1.620 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.331 1.311 1.286 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.043 -0.004 0.373 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.352 2.997 -1.054 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.842 3.933 -1.319 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.258 3.640 0.337 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.602 -0.240 0.492 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.116 0.022 -1.192 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.393 1.358 -0.264 1.00 0.00 H new ATOM 779 N PRO A 50 -6.645 3.755 -1.694 1.00 0.00 N ATOM 780 CA PRO A 50 -7.186 5.053 -2.098 1.00 0.00 C ATOM 781 C PRO A 50 -8.581 5.325 -1.504 1.00 0.00 C ATOM 782 O PRO A 50 -8.955 6.480 -1.318 1.00 0.00 O ATOM 783 CB PRO A 50 -7.231 5.015 -3.629 1.00 0.00 C ATOM 784 CG PRO A 50 -7.412 3.532 -3.942 1.00 0.00 C ATOM 785 CD PRO A 50 -6.641 2.842 -2.830 1.00 0.00 C ATOM 0 HA PRO A 50 -6.562 5.865 -1.725 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.054 5.612 -4.022 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -6.314 5.409 -4.068 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -8.464 3.246 -3.939 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -7.015 3.277 -4.925 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.107 1.893 -2.566 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.622 2.620 -3.145 1.00 0.00 H new ATOM 793 N ASP A 51 -9.351 4.290 -1.147 1.00 0.00 N ATOM 794 CA ASP A 51 -10.638 4.434 -0.445 1.00 0.00 C ATOM 795 C ASP A 51 -10.470 5.033 0.961 1.00 0.00 C ATOM 796 O ASP A 51 -11.318 5.811 1.404 1.00 0.00 O ATOM 797 CB ASP A 51 -11.365 3.082 -0.362 1.00 0.00 C ATOM 798 CG ASP A 51 -12.450 2.929 -1.439 1.00 0.00 C ATOM 799 OD1 ASP A 51 -12.140 3.011 -2.649 1.00 0.00 O ATOM 800 OD2 ASP A 51 -13.625 2.728 -1.052 1.00 0.00 O ATOM 0 H ASP A 51 -9.099 3.320 -1.337 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.242 5.130 -1.027 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.639 2.276 -0.466 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -11.819 2.977 0.623 1.00 0.00 H new ATOM 805 N ALA A 52 -9.344 4.771 1.632 1.00 0.00 N ATOM 806 CA ALA A 52 -8.969 5.455 2.871 1.00 0.00 C ATOM 807 C ALA A 52 -8.713 6.971 2.694 1.00 0.00 C ATOM 808 O ALA A 52 -8.631 7.702 3.682 1.00 0.00 O ATOM 809 CB ALA A 52 -7.763 4.738 3.490 1.00 0.00 C ATOM 0 H ALA A 52 -8.664 4.074 1.328 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.819 5.400 3.551 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.476 5.240 4.414 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -8.027 3.703 3.707 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.928 4.761 2.790 1.00 0.00 H new ATOM 815 N LEU A 53 -8.641 7.452 1.445 1.00 0.00 N ATOM 816 CA LEU A 53 -8.426 8.851 1.055 1.00 0.00 C ATOM 817 C LEU A 53 -9.677 9.475 0.391 1.00 0.00 C ATOM 818 O LEU A 53 -9.721 10.686 0.171 1.00 0.00 O ATOM 819 CB LEU A 53 -7.220 8.944 0.092 1.00 0.00 C ATOM 820 CG LEU A 53 -6.021 8.014 0.370 1.00 0.00 C ATOM 821 CD1 LEU A 53 -4.975 8.123 -0.739 1.00 0.00 C ATOM 822 CD2 LEU A 53 -5.336 8.308 1.702 1.00 0.00 C ATOM 0 H LEU A 53 -8.737 6.840 0.635 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.224 9.417 1.964 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.578 8.741 -0.917 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.859 9.972 0.102 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.435 7.006 0.409 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.140 7.457 -0.519 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.423 7.840 -1.691 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.614 9.150 -0.799 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.501 7.622 1.841 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.967 9.334 1.703 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.051 8.179 2.515 1.00 0.00 H new ATOM 834 N SER A 54 -10.697 8.657 0.089 1.00 0.00 N ATOM 835 CA SER A 54 -11.908 9.032 -0.668 1.00 0.00 C ATOM 836 C SER A 54 -13.192 8.955 0.174 1.00 0.00 C ATOM 837 O SER A 54 -14.090 9.789 0.037 1.00 0.00 O ATOM 838 CB SER A 54 -12.042 8.097 -1.879 1.00 0.00 C ATOM 839 OG SER A 54 -12.885 8.671 -2.863 1.00 0.00 O ATOM 0 H SER A 54 -10.704 7.678 0.375 1.00 0.00 H new ATOM 0 HA SER A 54 -11.792 10.071 -0.977 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.058 7.902 -2.305 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.448 7.137 -1.560 1.00 0.00 H new ATOM 0 HG SER A 54 -12.957 8.062 -3.627 1.00 0.00 H new ATOM 845 N ASN A 55 -13.252 7.987 1.095 1.00 0.00 N ATOM 846 CA ASN A 55 -14.361 7.733 2.027 1.00 0.00 C ATOM 847 C ASN A 55 -13.845 7.248 3.398 1.00 0.00 C ATOM 848 O ASN A 55 -14.572 6.586 4.134 1.00 0.00 O ATOM 849 CB ASN A 55 -15.392 6.766 1.385 1.00 0.00 C ATOM 850 CG ASN A 55 -14.798 5.737 0.438 1.00 0.00 C ATOM 851 OD1 ASN A 55 -14.765 5.919 -0.771 1.00 0.00 O ATOM 852 ND2 ASN A 55 -14.303 4.634 0.943 1.00 0.00 N ATOM 0 H ASN A 55 -12.488 7.323 1.219 1.00 0.00 H new ATOM 0 HA ASN A 55 -14.882 8.671 2.222 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -15.923 6.243 2.181 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -16.132 7.354 0.842 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -13.892 3.931 0.328 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -14.328 4.478 1.951 1.00 0.00 H new ATOM 859 N GLU A 56 -12.584 7.545 3.745 1.00 0.00 N ATOM 860 CA GLU A 56 -11.943 7.193 5.029 1.00 0.00 C ATOM 861 C GLU A 56 -12.097 5.704 5.420 1.00 0.00 C ATOM 862 O GLU A 56 -12.180 5.354 6.599 1.00 0.00 O ATOM 863 CB GLU A 56 -12.403 8.169 6.132 1.00 0.00 C ATOM 864 CG GLU A 56 -12.064 9.630 5.800 1.00 0.00 C ATOM 865 CD GLU A 56 -12.465 10.565 6.958 1.00 0.00 C ATOM 866 OE1 GLU A 56 -13.618 11.061 6.975 1.00 0.00 O ATOM 867 OE2 GLU A 56 -11.627 10.821 7.858 1.00 0.00 O ATOM 0 H GLU A 56 -11.958 8.054 3.121 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.867 7.312 4.901 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.479 8.072 6.274 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.931 7.895 7.076 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.996 9.724 5.605 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.582 9.930 4.889 1.00 0.00 H new ATOM 874 N CYS A 57 -12.150 4.817 4.414 1.00 0.00 N ATOM 875 CA CYS A 57 -12.397 3.376 4.558 1.00 0.00 C ATOM 876 C CYS A 57 -13.729 3.041 5.283 1.00 0.00 C ATOM 877 O CYS A 57 -13.851 2.017 5.952 1.00 0.00 O ATOM 878 CB CYS A 57 -11.160 2.719 5.204 1.00 0.00 C ATOM 879 SG CYS A 57 -10.693 1.048 4.656 1.00 0.00 S ATOM 0 H CYS A 57 -12.017 5.096 3.442 1.00 0.00 H new ATOM 0 HA CYS A 57 -12.539 2.948 3.565 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -10.307 3.376 5.035 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -11.326 2.683 6.281 1.00 0.00 H new ATOM 884 N ALA A 58 -14.751 3.897 5.192 1.00 0.00 N ATOM 885 CA ALA A 58 -16.010 3.721 5.922 1.00 0.00 C ATOM 886 C ALA A 58 -16.854 2.509 5.472 1.00 0.00 C ATOM 887 O ALA A 58 -17.651 1.988 6.257 1.00 0.00 O ATOM 888 CB ALA A 58 -16.808 5.027 5.806 1.00 0.00 C ATOM 0 H ALA A 58 -14.729 4.733 4.609 1.00 0.00 H new ATOM 0 HA ALA A 58 -15.761 3.498 6.959 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -17.752 4.925 6.341 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -16.232 5.845 6.239 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -17.007 5.240 4.756 1.00 0.00 H new ATOM 894 N LYS A 59 -16.669 2.034 4.232 1.00 0.00 N ATOM 895 CA LYS A 59 -17.301 0.809 3.696 1.00 0.00 C ATOM 896 C LYS A 59 -16.481 -0.476 3.936 1.00 0.00 C ATOM 897 O LYS A 59 -16.921 -1.564 3.561 1.00 0.00 O ATOM 898 CB LYS A 59 -17.603 1.005 2.197 1.00 0.00 C ATOM 899 CG LYS A 59 -18.511 2.199 1.836 1.00 0.00 C ATOM 900 CD LYS A 59 -19.990 2.068 2.245 1.00 0.00 C ATOM 901 CE LYS A 59 -20.271 2.426 3.713 1.00 0.00 C ATOM 902 NZ LYS A 59 -21.729 2.408 4.007 1.00 0.00 N ATOM 0 H LYS A 59 -16.063 2.498 3.555 1.00 0.00 H new ATOM 0 HA LYS A 59 -18.229 0.660 4.249 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -16.657 1.122 1.669 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -18.068 0.094 1.819 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -18.103 3.095 2.304 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -18.465 2.353 0.758 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -20.591 2.713 1.604 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -20.316 1.044 2.063 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -19.758 1.720 4.366 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -19.866 3.414 3.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -21.885 2.654 5.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -22.214 3.100 3.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -22.109 1.458 3.821 1.00 0.00 H new ATOM 916 N CYS A 60 -15.303 -0.366 4.549 1.00 0.00 N ATOM 917 CA CYS A 60 -14.392 -1.465 4.848 1.00 0.00 C ATOM 918 C CYS A 60 -14.831 -2.295 6.066 1.00 0.00 C ATOM 919 O CYS A 60 -15.625 -1.855 6.903 1.00 0.00 O ATOM 920 CB CYS A 60 -13.024 -0.850 5.153 1.00 0.00 C ATOM 921 SG CYS A 60 -12.345 0.176 3.829 1.00 0.00 S ATOM 0 H CYS A 60 -14.943 0.535 4.864 1.00 0.00 H new ATOM 0 HA CYS A 60 -14.374 -2.137 3.990 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -13.106 -0.246 6.057 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -12.320 -1.653 5.369 1.00 0.00 H new ATOM 926 N ASN A 61 -14.211 -3.465 6.211 1.00 0.00 N ATOM 927 CA ASN A 61 -14.113 -4.190 7.483 1.00 0.00 C ATOM 928 C ASN A 61 -12.922 -3.672 8.308 1.00 0.00 C ATOM 929 O ASN A 61 -11.944 -3.159 7.759 1.00 0.00 O ATOM 930 CB ASN A 61 -14.004 -5.705 7.219 1.00 0.00 C ATOM 931 CG ASN A 61 -12.850 -6.112 6.317 1.00 0.00 C ATOM 932 OD1 ASN A 61 -12.674 -5.617 5.215 1.00 0.00 O ATOM 933 ND2 ASN A 61 -12.024 -7.035 6.744 1.00 0.00 N ATOM 0 H ASN A 61 -13.754 -3.946 5.437 1.00 0.00 H new ATOM 0 HA ASN A 61 -15.017 -4.013 8.066 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.900 -6.220 8.174 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.936 -6.050 6.771 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.244 -7.332 6.158 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -12.161 -7.456 7.663 1.00 0.00 H new ATOM 940 N GLU A 62 -12.975 -3.835 9.631 1.00 0.00 N ATOM 941 CA GLU A 62 -11.979 -3.302 10.573 1.00 0.00 C ATOM 942 C GLU A 62 -10.539 -3.769 10.297 1.00 0.00 C ATOM 943 O GLU A 62 -9.589 -3.028 10.559 1.00 0.00 O ATOM 944 CB GLU A 62 -12.387 -3.590 12.032 1.00 0.00 C ATOM 945 CG GLU A 62 -12.553 -5.074 12.417 1.00 0.00 C ATOM 946 CD GLU A 62 -14.003 -5.572 12.246 1.00 0.00 C ATOM 947 OE1 GLU A 62 -14.477 -5.693 11.091 1.00 0.00 O ATOM 948 OE2 GLU A 62 -14.674 -5.850 13.271 1.00 0.00 O ATOM 0 H GLU A 62 -13.725 -4.351 10.091 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.972 -2.224 10.413 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.639 -3.148 12.690 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.328 -3.078 12.231 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.889 -5.682 11.802 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.244 -5.214 13.453 1.00 0.00 H new ATOM 955 N LYS A 63 -10.366 -4.963 9.714 1.00 0.00 N ATOM 956 CA LYS A 63 -9.040 -5.515 9.388 1.00 0.00 C ATOM 957 C LYS A 63 -8.350 -4.726 8.271 1.00 0.00 C ATOM 958 O LYS A 63 -7.162 -4.432 8.375 1.00 0.00 O ATOM 959 CB LYS A 63 -9.149 -7.009 9.037 1.00 0.00 C ATOM 960 CG LYS A 63 -9.805 -7.887 10.128 1.00 0.00 C ATOM 961 CD LYS A 63 -9.083 -7.928 11.491 1.00 0.00 C ATOM 962 CE LYS A 63 -8.092 -9.097 11.597 1.00 0.00 C ATOM 963 NZ LYS A 63 -7.283 -9.018 12.847 1.00 0.00 N ATOM 0 H LYS A 63 -11.140 -5.575 9.454 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.413 -5.417 10.274 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.723 -7.110 8.116 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.150 -7.394 8.834 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.822 -7.531 10.289 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.880 -8.906 9.749 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.550 -6.989 11.645 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.822 -8.009 12.288 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.637 -10.040 11.575 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.428 -9.092 10.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.625 -9.822 12.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.744 -8.129 12.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.915 -9.048 13.672 1.00 0.00 H new ATOM 977 N GLN A 64 -9.103 -4.315 7.250 1.00 0.00 N ATOM 978 CA GLN A 64 -8.645 -3.350 6.235 1.00 0.00 C ATOM 979 C GLN A 64 -8.413 -1.953 6.827 1.00 0.00 C ATOM 980 O GLN A 64 -7.350 -1.378 6.603 1.00 0.00 O ATOM 981 CB GLN A 64 -9.648 -3.237 5.077 1.00 0.00 C ATOM 982 CG GLN A 64 -9.735 -4.524 4.253 1.00 0.00 C ATOM 983 CD GLN A 64 -10.546 -4.370 2.966 1.00 0.00 C ATOM 984 OE1 GLN A 64 -11.354 -3.470 2.779 1.00 0.00 O ATOM 985 NE2 GLN A 64 -10.320 -5.242 2.008 1.00 0.00 N ATOM 0 H GLN A 64 -10.057 -4.642 7.098 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.696 -3.734 5.861 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -10.634 -2.997 5.476 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -9.357 -2.412 4.427 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -8.727 -4.853 4.001 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -10.183 -5.308 4.864 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.649 -5.996 2.153 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -10.816 -5.164 1.120 1.00 0.00 H new ATOM 994 N LYS A 65 -9.372 -1.429 7.608 1.00 0.00 N ATOM 995 CA LYS A 65 -9.283 -0.099 8.257 1.00 0.00 C ATOM 996 C LYS A 65 -8.008 0.080 9.086 1.00 0.00 C ATOM 997 O LYS A 65 -7.332 1.099 8.960 1.00 0.00 O ATOM 998 CB LYS A 65 -10.507 0.187 9.149 1.00 0.00 C ATOM 999 CG LYS A 65 -11.822 0.268 8.361 1.00 0.00 C ATOM 1000 CD LYS A 65 -13.059 0.547 9.227 1.00 0.00 C ATOM 1001 CE LYS A 65 -12.997 1.928 9.892 1.00 0.00 C ATOM 1002 NZ LYS A 65 -14.223 2.212 10.684 1.00 0.00 N ATOM 0 H LYS A 65 -10.243 -1.918 7.812 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.257 0.617 7.435 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.590 -0.596 9.903 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.350 1.126 9.680 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.734 1.052 7.609 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.971 -0.670 7.827 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -13.955 0.482 8.610 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -13.144 -0.222 9.995 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -12.124 1.980 10.542 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -12.872 2.695 9.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -14.145 3.154 11.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -15.054 2.187 10.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -14.329 1.494 11.429 1.00 0.00 H new ATOM 1016 N GLU A 66 -7.660 -0.904 9.917 1.00 0.00 N ATOM 1017 CA GLU A 66 -6.384 -0.923 10.646 1.00 0.00 C ATOM 1018 C GLU A 66 -5.199 -1.227 9.717 1.00 0.00 C ATOM 1019 O GLU A 66 -4.156 -0.580 9.821 1.00 0.00 O ATOM 1020 CB GLU A 66 -6.434 -1.962 11.779 1.00 0.00 C ATOM 1021 CG GLU A 66 -7.358 -1.529 12.925 1.00 0.00 C ATOM 1022 CD GLU A 66 -7.312 -2.539 14.091 1.00 0.00 C ATOM 1023 OE1 GLU A 66 -6.283 -2.591 14.809 1.00 0.00 O ATOM 1024 OE2 GLU A 66 -8.305 -3.274 14.311 1.00 0.00 O ATOM 0 H GLU A 66 -8.253 -1.712 10.106 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.235 0.071 11.067 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.777 -2.916 11.379 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.428 -2.122 12.167 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.061 -0.543 13.282 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.380 -1.440 12.558 1.00 0.00 H new ATOM 1031 N GLY A 67 -5.365 -2.187 8.801 1.00 0.00 N ATOM 1032 CA GLY A 67 -4.333 -2.690 7.895 1.00 0.00 C ATOM 1033 C GLY A 67 -3.746 -1.633 6.961 1.00 0.00 C ATOM 1034 O GLY A 67 -2.559 -1.335 7.050 1.00 0.00 O ATOM 0 H GLY A 67 -6.262 -2.653 8.667 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.527 -3.123 8.487 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.755 -3.495 7.294 1.00 0.00 H new ATOM 1038 N THR A 68 -4.537 -1.010 6.088 1.00 0.00 N ATOM 1039 CA THR A 68 -3.982 -0.004 5.163 1.00 0.00 C ATOM 1040 C THR A 68 -3.445 1.225 5.897 1.00 0.00 C ATOM 1041 O THR A 68 -2.421 1.766 5.485 1.00 0.00 O ATOM 1042 CB THR A 68 -4.970 0.423 4.071 1.00 0.00 C ATOM 1043 OG1 THR A 68 -6.198 0.866 4.608 1.00 0.00 O ATOM 1044 CG2 THR A 68 -5.244 -0.751 3.135 1.00 0.00 C ATOM 0 H THR A 68 -5.540 -1.173 5.996 1.00 0.00 H new ATOM 0 HA THR A 68 -3.147 -0.503 4.671 1.00 0.00 H new ATOM 0 HB THR A 68 -4.513 1.251 3.530 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.798 1.130 3.879 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.947 -0.443 2.361 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.311 -1.072 2.672 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.670 -1.578 3.703 1.00 0.00 H new ATOM 1052 N LYS A 69 -4.064 1.620 7.021 1.00 0.00 N ATOM 1053 CA LYS A 69 -3.612 2.728 7.882 1.00 0.00 C ATOM 1054 C LYS A 69 -2.209 2.498 8.460 1.00 0.00 C ATOM 1055 O LYS A 69 -1.370 3.394 8.384 1.00 0.00 O ATOM 1056 CB LYS A 69 -4.664 2.958 8.982 1.00 0.00 C ATOM 1057 CG LYS A 69 -4.343 4.162 9.885 1.00 0.00 C ATOM 1058 CD LYS A 69 -5.495 4.501 10.847 1.00 0.00 C ATOM 1059 CE LYS A 69 -5.859 3.386 11.841 1.00 0.00 C ATOM 1060 NZ LYS A 69 -4.796 3.159 12.859 1.00 0.00 N ATOM 0 H LYS A 69 -4.912 1.169 7.365 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.521 3.629 7.275 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.638 3.110 8.518 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.740 2.061 9.597 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.443 3.950 10.462 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.126 5.031 9.263 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.228 5.396 11.409 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.379 4.746 10.259 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.791 3.643 12.345 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.037 2.460 11.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.090 2.398 13.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.912 2.887 12.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.642 4.033 13.401 1.00 0.00 H new ATOM 1074 N LYS A 70 -1.920 1.303 8.992 1.00 0.00 N ATOM 1075 CA LYS A 70 -0.559 0.938 9.444 1.00 0.00 C ATOM 1076 C LYS A 70 0.401 0.780 8.262 1.00 0.00 C ATOM 1077 O LYS A 70 1.525 1.275 8.307 1.00 0.00 O ATOM 1078 CB LYS A 70 -0.573 -0.285 10.397 1.00 0.00 C ATOM 1079 CG LYS A 70 -0.923 -1.635 9.746 1.00 0.00 C ATOM 1080 CD LYS A 70 -0.950 -2.884 10.639 1.00 0.00 C ATOM 1081 CE LYS A 70 -2.007 -2.832 11.755 1.00 0.00 C ATOM 1082 NZ LYS A 70 -1.460 -2.327 13.045 1.00 0.00 N ATOM 0 H LYS A 70 -2.611 0.564 9.123 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.172 1.766 10.038 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.409 -0.371 10.862 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.289 -0.091 11.196 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.904 -1.536 9.281 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.207 -1.814 8.944 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.136 -3.759 10.017 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.033 -3.017 11.090 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.831 -2.192 11.439 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.419 -3.830 11.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.229 -2.249 13.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.739 -2.987 13.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.030 -1.391 12.897 1.00 0.00 H new ATOM 1096 N VAL A 71 -0.020 0.113 7.190 1.00 0.00 N ATOM 1097 CA VAL A 71 0.826 -0.214 6.025 1.00 0.00 C ATOM 1098 C VAL A 71 1.329 1.028 5.299 1.00 0.00 C ATOM 1099 O VAL A 71 2.522 1.103 5.018 1.00 0.00 O ATOM 1100 CB VAL A 71 0.067 -1.170 5.091 1.00 0.00 C ATOM 1101 CG1 VAL A 71 0.736 -1.382 3.727 1.00 0.00 C ATOM 1102 CG2 VAL A 71 -0.063 -2.526 5.798 1.00 0.00 C ATOM 0 H VAL A 71 -0.977 -0.226 7.097 1.00 0.00 H new ATOM 0 HA VAL A 71 1.723 -0.719 6.384 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.901 -0.712 4.886 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.136 -2.069 3.130 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.816 -0.427 3.209 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.732 -1.801 3.871 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.599 -3.222 5.153 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.930 -2.921 6.013 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.612 -2.399 6.731 1.00 0.00 H new ATOM 1112 N LEU A 72 0.476 2.034 5.092 1.00 0.00 N ATOM 1113 CA LEU A 72 0.856 3.330 4.516 1.00 0.00 C ATOM 1114 C LEU A 72 2.071 3.957 5.209 1.00 0.00 C ATOM 1115 O LEU A 72 2.964 4.449 4.522 1.00 0.00 O ATOM 1116 CB LEU A 72 -0.401 4.223 4.433 1.00 0.00 C ATOM 1117 CG LEU A 72 -0.315 5.726 4.745 1.00 0.00 C ATOM 1118 CD1 LEU A 72 -1.600 6.351 4.215 1.00 0.00 C ATOM 1119 CD2 LEU A 72 -0.269 6.001 6.252 1.00 0.00 C ATOM 0 H LEU A 72 -0.515 1.972 5.323 1.00 0.00 H new ATOM 0 HA LEU A 72 1.217 3.195 3.497 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.797 4.127 3.422 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.143 3.797 5.108 1.00 0.00 H new ATOM 0 HG LEU A 72 0.591 6.131 4.294 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.591 7.423 4.411 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.672 6.179 3.141 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.457 5.898 4.713 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.209 7.076 6.424 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.171 5.609 6.721 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.606 5.515 6.684 1.00 0.00 H new ATOM 1131 N LYS A 73 2.156 3.868 6.546 1.00 0.00 N ATOM 1132 CA LYS A 73 3.220 4.495 7.343 1.00 0.00 C ATOM 1133 C LYS A 73 4.557 3.768 7.167 1.00 0.00 C ATOM 1134 O LYS A 73 5.597 4.394 6.964 1.00 0.00 O ATOM 1135 CB LYS A 73 2.777 4.499 8.820 1.00 0.00 C ATOM 1136 CG LYS A 73 3.796 5.107 9.800 1.00 0.00 C ATOM 1137 CD LYS A 73 4.216 6.553 9.487 1.00 0.00 C ATOM 1138 CE LYS A 73 3.067 7.574 9.522 1.00 0.00 C ATOM 1139 NZ LYS A 73 2.492 7.738 10.887 1.00 0.00 N ATOM 0 H LYS A 73 1.480 3.353 7.109 1.00 0.00 H new ATOM 0 HA LYS A 73 3.378 5.518 7.001 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.841 5.052 8.902 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.569 3.473 9.125 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.374 5.077 10.805 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.687 4.480 9.809 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.979 6.859 10.203 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.677 6.578 8.500 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.431 8.538 9.166 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.282 7.256 8.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.722 8.436 10.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.120 6.825 11.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.233 8.067 11.539 1.00 0.00 H new ATOM 1153 N HIS A 74 4.519 2.435 7.193 1.00 0.00 N ATOM 1154 CA HIS A 74 5.667 1.564 6.908 1.00 0.00 C ATOM 1155 C HIS A 74 6.153 1.748 5.470 1.00 0.00 C ATOM 1156 O HIS A 74 7.352 1.872 5.261 1.00 0.00 O ATOM 1157 CB HIS A 74 5.315 0.089 7.152 1.00 0.00 C ATOM 1158 CG HIS A 74 4.966 -0.250 8.578 1.00 0.00 C ATOM 1159 ND1 HIS A 74 3.708 -0.161 9.128 1.00 0.00 N ATOM 1160 CD2 HIS A 74 5.779 -0.841 9.508 1.00 0.00 C ATOM 1161 CE1 HIS A 74 3.726 -0.730 10.343 1.00 0.00 C ATOM 1162 NE2 HIS A 74 4.991 -1.120 10.615 1.00 0.00 N ATOM 0 H HIS A 74 3.670 1.916 7.418 1.00 0.00 H new ATOM 0 HA HIS A 74 6.469 1.850 7.588 1.00 0.00 H new ATOM 0 HB2 HIS A 74 4.474 -0.180 6.513 1.00 0.00 H new ATOM 0 HB3 HIS A 74 6.159 -0.527 6.843 1.00 0.00 H new ATOM 0 HD1 HIS A 74 2.895 0.267 8.685 1.00 0.00 H new ATOM 0 HD2 HIS A 74 6.833 -1.050 9.400 1.00 0.00 H new ATOM 0 HE1 HIS A 74 2.873 -0.855 10.994 1.00 0.00 H new ATOM 1171 N LEU A 75 5.253 1.811 4.490 1.00 0.00 N ATOM 1172 CA LEU A 75 5.615 1.981 3.081 1.00 0.00 C ATOM 1173 C LEU A 75 6.356 3.309 2.846 1.00 0.00 C ATOM 1174 O LEU A 75 7.417 3.302 2.228 1.00 0.00 O ATOM 1175 CB LEU A 75 4.348 1.896 2.205 1.00 0.00 C ATOM 1176 CG LEU A 75 4.158 0.544 1.494 1.00 0.00 C ATOM 1177 CD1 LEU A 75 4.310 -0.664 2.425 1.00 0.00 C ATOM 1178 CD2 LEU A 75 2.778 0.528 0.836 1.00 0.00 C ATOM 0 H LEU A 75 4.248 1.745 4.650 1.00 0.00 H new ATOM 0 HA LEU A 75 6.296 1.178 2.801 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.476 2.091 2.829 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.386 2.686 1.455 1.00 0.00 H new ATOM 0 HG LEU A 75 4.949 0.451 0.750 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.163 -1.582 1.856 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.309 -0.663 2.862 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.566 -0.607 3.220 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.628 -0.424 0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.010 0.657 1.598 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.711 1.340 0.112 1.00 0.00 H new ATOM 1190 N ILE A 76 5.865 4.432 3.389 1.00 0.00 N ATOM 1191 CA ILE A 76 6.569 5.728 3.292 1.00 0.00 C ATOM 1192 C ILE A 76 7.919 5.718 4.037 1.00 0.00 C ATOM 1193 O ILE A 76 8.886 6.308 3.561 1.00 0.00 O ATOM 1194 CB ILE A 76 5.629 6.897 3.690 1.00 0.00 C ATOM 1195 CG1 ILE A 76 6.177 8.294 3.342 1.00 0.00 C ATOM 1196 CG2 ILE A 76 5.130 6.899 5.139 1.00 0.00 C ATOM 1197 CD1 ILE A 76 6.999 8.991 4.433 1.00 0.00 C ATOM 0 H ILE A 76 4.984 4.474 3.901 1.00 0.00 H new ATOM 0 HA ILE A 76 6.836 5.897 2.249 1.00 0.00 H new ATOM 0 HB ILE A 76 4.765 6.686 3.060 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.797 8.206 2.450 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.336 8.937 3.084 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.483 7.761 5.300 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.570 5.984 5.332 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.982 6.954 5.817 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.330 9.965 4.073 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.384 9.123 5.323 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.868 8.381 4.680 1.00 0.00 H new ATOM 1209 N ASN A 77 8.026 4.988 5.156 1.00 0.00 N ATOM 1210 CA ASN A 77 9.282 4.807 5.906 1.00 0.00 C ATOM 1211 C ASN A 77 10.329 3.934 5.180 1.00 0.00 C ATOM 1212 O ASN A 77 11.515 4.271 5.165 1.00 0.00 O ATOM 1213 CB ASN A 77 8.964 4.197 7.287 1.00 0.00 C ATOM 1214 CG ASN A 77 8.739 5.268 8.336 1.00 0.00 C ATOM 1215 OD1 ASN A 77 9.596 5.521 9.170 1.00 0.00 O ATOM 1216 ND2 ASN A 77 7.615 5.946 8.308 1.00 0.00 N ATOM 0 H ASN A 77 7.234 4.499 5.573 1.00 0.00 H new ATOM 0 HA ASN A 77 9.731 5.795 6.005 1.00 0.00 H new ATOM 0 HB2 ASN A 77 8.076 3.570 7.212 1.00 0.00 H new ATOM 0 HB3 ASN A 77 9.785 3.551 7.597 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.452 6.691 8.986 1.00 0.00 H new ATOM 0 HD22 ASN A 77 6.905 5.728 7.609 1.00 0.00 H new ATOM 1223 N HIS A 78 9.902 2.806 4.603 1.00 0.00 N ATOM 1224 CA HIS A 78 10.783 1.729 4.108 1.00 0.00 C ATOM 1225 C HIS A 78 10.958 1.694 2.586 1.00 0.00 C ATOM 1226 O HIS A 78 11.960 1.171 2.092 1.00 0.00 O ATOM 1227 CB HIS A 78 10.233 0.378 4.584 1.00 0.00 C ATOM 1228 CG HIS A 78 10.417 0.125 6.063 1.00 0.00 C ATOM 1229 ND1 HIS A 78 11.608 -0.238 6.670 1.00 0.00 N ATOM 1230 CD2 HIS A 78 9.456 0.192 7.040 1.00 0.00 C ATOM 1231 CE1 HIS A 78 11.380 -0.381 7.991 1.00 0.00 C ATOM 1232 NE2 HIS A 78 10.080 -0.119 8.238 1.00 0.00 N ATOM 0 H HIS A 78 8.912 2.606 4.461 1.00 0.00 H new ATOM 0 HA HIS A 78 11.772 1.934 4.517 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.170 0.326 4.347 1.00 0.00 H new ATOM 0 HB3 HIS A 78 10.724 -0.419 4.026 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.414 0.439 6.902 1.00 0.00 H new ATOM 0 HE1 HIS A 78 12.117 -0.659 8.730 1.00 0.00 H new ATOM 0 HE2 HIS A 78 9.631 -0.145 9.154 1.00 0.00 H new ATOM 1241 N LYS A 79 10.011 2.266 1.842 1.00 0.00 N ATOM 1242 CA LYS A 79 10.006 2.389 0.376 1.00 0.00 C ATOM 1243 C LYS A 79 9.670 3.829 -0.046 1.00 0.00 C ATOM 1244 O LYS A 79 8.750 4.028 -0.832 1.00 0.00 O ATOM 1245 CB LYS A 79 9.048 1.326 -0.217 1.00 0.00 C ATOM 1246 CG LYS A 79 9.645 -0.081 -0.368 1.00 0.00 C ATOM 1247 CD LYS A 79 10.530 -0.241 -1.617 1.00 0.00 C ATOM 1248 CE LYS A 79 11.893 0.459 -1.498 1.00 0.00 C ATOM 1249 NZ LYS A 79 12.897 -0.098 -2.446 1.00 0.00 N ATOM 0 H LYS A 79 9.180 2.680 2.265 1.00 0.00 H new ATOM 0 HA LYS A 79 10.999 2.191 -0.028 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.164 1.262 0.418 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.713 1.668 -1.196 1.00 0.00 H new ATOM 0 HG2 LYS A 79 10.235 -0.314 0.518 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.834 -0.808 -0.411 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.691 -1.303 -1.804 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.000 0.159 -2.482 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.769 1.525 -1.688 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.264 0.357 -0.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.800 0.404 -2.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 13.036 -1.110 -2.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.557 0.022 -3.422 1.00 0.00 H new ATOM 1263 N PRO A 80 10.413 4.845 0.433 1.00 0.00 N ATOM 1264 CA PRO A 80 10.107 6.261 0.183 1.00 0.00 C ATOM 1265 C PRO A 80 10.123 6.621 -1.315 1.00 0.00 C ATOM 1266 O PRO A 80 9.257 7.354 -1.794 1.00 0.00 O ATOM 1267 CB PRO A 80 11.165 7.043 0.970 1.00 0.00 C ATOM 1268 CG PRO A 80 12.342 6.070 1.057 1.00 0.00 C ATOM 1269 CD PRO A 80 11.673 4.702 1.151 1.00 0.00 C ATOM 0 HA PRO A 80 9.095 6.505 0.505 1.00 0.00 H new ATOM 0 HB2 PRO A 80 11.444 7.965 0.460 1.00 0.00 H new ATOM 0 HB3 PRO A 80 10.803 7.323 1.959 1.00 0.00 H new ATOM 0 HG2 PRO A 80 12.986 6.141 0.181 1.00 0.00 H new ATOM 0 HG3 PRO A 80 12.965 6.272 1.928 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.296 3.927 0.704 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.505 4.416 2.189 1.00 0.00 H new ATOM 1277 N ASP A 81 11.075 6.061 -2.067 1.00 0.00 N ATOM 1278 CA ASP A 81 11.204 6.256 -3.520 1.00 0.00 C ATOM 1279 C ASP A 81 10.029 5.670 -4.334 1.00 0.00 C ATOM 1280 O ASP A 81 9.575 6.288 -5.298 1.00 0.00 O ATOM 1281 CB ASP A 81 12.533 5.638 -3.976 1.00 0.00 C ATOM 1282 CG ASP A 81 12.804 5.886 -5.469 1.00 0.00 C ATOM 1283 OD1 ASP A 81 13.207 7.017 -5.831 1.00 0.00 O ATOM 1284 OD2 ASP A 81 12.635 4.944 -6.279 1.00 0.00 O ATOM 0 H ASP A 81 11.792 5.448 -1.679 1.00 0.00 H new ATOM 0 HA ASP A 81 11.183 7.329 -3.712 1.00 0.00 H new ATOM 0 HB2 ASP A 81 13.348 6.056 -3.386 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.518 4.565 -3.784 1.00 0.00 H new ATOM 1289 N VAL A 82 9.508 4.497 -3.946 1.00 0.00 N ATOM 1290 CA VAL A 82 8.325 3.883 -4.587 1.00 0.00 C ATOM 1291 C VAL A 82 7.024 4.503 -4.073 1.00 0.00 C ATOM 1292 O VAL A 82 6.111 4.756 -4.858 1.00 0.00 O ATOM 1293 CB VAL A 82 8.302 2.355 -4.412 1.00 0.00 C ATOM 1294 CG1 VAL A 82 7.053 1.750 -5.063 1.00 0.00 C ATOM 1295 CG2 VAL A 82 9.536 1.710 -5.055 1.00 0.00 C ATOM 0 H VAL A 82 9.891 3.944 -3.180 1.00 0.00 H new ATOM 0 HA VAL A 82 8.404 4.092 -5.654 1.00 0.00 H new ATOM 0 HB VAL A 82 8.297 2.156 -3.340 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.059 0.669 -4.926 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.161 2.170 -4.598 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.050 1.981 -6.128 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.495 0.630 -4.917 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.553 1.939 -6.120 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.438 2.102 -4.585 1.00 0.00 H new ATOM 1305 N TRP A 83 6.950 4.826 -2.780 1.00 0.00 N ATOM 1306 CA TRP A 83 5.851 5.589 -2.187 1.00 0.00 C ATOM 1307 C TRP A 83 5.561 6.879 -2.961 1.00 0.00 C ATOM 1308 O TRP A 83 4.402 7.138 -3.274 1.00 0.00 O ATOM 1309 CB TRP A 83 6.172 5.894 -0.719 1.00 0.00 C ATOM 1310 CG TRP A 83 5.384 7.034 -0.160 1.00 0.00 C ATOM 1311 CD1 TRP A 83 5.859 8.281 0.049 1.00 0.00 C ATOM 1312 CD2 TRP A 83 3.955 7.101 0.110 1.00 0.00 C ATOM 1313 NE1 TRP A 83 4.834 9.111 0.454 1.00 0.00 N ATOM 1314 CE2 TRP A 83 3.632 8.437 0.499 1.00 0.00 C ATOM 1315 CE3 TRP A 83 2.899 6.171 0.027 1.00 0.00 C ATOM 1316 CZ2 TRP A 83 2.320 8.829 0.796 1.00 0.00 C ATOM 1317 CZ3 TRP A 83 1.574 6.561 0.291 1.00 0.00 C ATOM 1318 CH2 TRP A 83 1.287 7.887 0.657 1.00 0.00 C ATOM 0 H TRP A 83 7.666 4.559 -2.104 1.00 0.00 H new ATOM 0 HA TRP A 83 4.948 4.981 -2.242 1.00 0.00 H new ATOM 0 HB2 TRP A 83 5.981 5.003 -0.121 1.00 0.00 H new ATOM 0 HB3 TRP A 83 7.235 6.118 -0.627 1.00 0.00 H new ATOM 0 HD1 TRP A 83 6.888 8.583 -0.081 1.00 0.00 H new ATOM 0 HE1 TRP A 83 4.950 10.097 0.690 1.00 0.00 H new ATOM 0 HE3 TRP A 83 3.110 5.147 -0.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 2.107 9.835 1.125 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 0.775 5.839 0.212 1.00 0.00 H new ATOM 0 HH2 TRP A 83 0.264 8.184 0.833 1.00 0.00 H new ATOM 1329 N ALA A 84 6.588 7.640 -3.359 1.00 0.00 N ATOM 1330 CA ALA A 84 6.433 8.850 -4.170 1.00 0.00 C ATOM 1331 C ALA A 84 5.641 8.619 -5.478 1.00 0.00 C ATOM 1332 O ALA A 84 4.978 9.535 -5.961 1.00 0.00 O ATOM 1333 CB ALA A 84 7.825 9.428 -4.444 1.00 0.00 C ATOM 0 H ALA A 84 7.558 7.430 -3.124 1.00 0.00 H new ATOM 0 HA ALA A 84 5.833 9.565 -3.607 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.732 10.331 -5.047 1.00 0.00 H new ATOM 0 HB2 ALA A 84 8.310 9.672 -3.499 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.425 8.693 -4.981 1.00 0.00 H new ATOM 1339 N GLN A 85 5.658 7.400 -6.032 1.00 0.00 N ATOM 1340 CA GLN A 85 4.877 7.000 -7.212 1.00 0.00 C ATOM 1341 C GLN A 85 3.405 6.719 -6.865 1.00 0.00 C ATOM 1342 O GLN A 85 2.510 7.107 -7.619 1.00 0.00 O ATOM 1343 CB GLN A 85 5.515 5.767 -7.883 1.00 0.00 C ATOM 1344 CG GLN A 85 7.042 5.915 -7.993 1.00 0.00 C ATOM 1345 CD GLN A 85 7.700 4.950 -8.976 1.00 0.00 C ATOM 1346 OE1 GLN A 85 7.196 4.659 -10.053 1.00 0.00 O ATOM 1347 NE2 GLN A 85 8.861 4.420 -8.654 1.00 0.00 N ATOM 0 H GLN A 85 6.232 6.642 -5.662 1.00 0.00 H new ATOM 0 HA GLN A 85 4.891 7.837 -7.910 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.275 4.873 -7.308 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.089 5.630 -8.877 1.00 0.00 H new ATOM 0 HG2 GLN A 85 7.275 6.936 -8.294 1.00 0.00 H new ATOM 0 HG3 GLN A 85 7.481 5.765 -7.007 1.00 0.00 H new ATOM 0 HE21 GLN A 85 9.297 4.650 -7.761 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.325 3.779 -9.297 1.00 0.00 H new ATOM 1356 N LEU A 86 3.153 6.104 -5.699 1.00 0.00 N ATOM 1357 CA LEU A 86 1.807 5.886 -5.139 1.00 0.00 C ATOM 1358 C LEU A 86 1.093 7.229 -4.963 1.00 0.00 C ATOM 1359 O LEU A 86 0.123 7.512 -5.664 1.00 0.00 O ATOM 1360 CB LEU A 86 1.913 5.138 -3.782 1.00 0.00 C ATOM 1361 CG LEU A 86 0.645 4.546 -3.135 1.00 0.00 C ATOM 1362 CD1 LEU A 86 -0.371 5.599 -2.691 1.00 0.00 C ATOM 1363 CD2 LEU A 86 -0.047 3.529 -4.035 1.00 0.00 C ATOM 0 H LEU A 86 3.895 5.735 -5.105 1.00 0.00 H new ATOM 0 HA LEU A 86 1.225 5.272 -5.827 1.00 0.00 H new ATOM 0 HB2 LEU A 86 2.622 4.321 -3.915 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.353 5.829 -3.063 1.00 0.00 H new ATOM 0 HG LEU A 86 1.013 4.042 -2.241 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.235 5.106 -2.246 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.088 6.260 -1.956 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.691 6.182 -3.554 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.934 3.143 -3.533 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.339 4.009 -4.969 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.636 2.707 -4.248 1.00 0.00 H new ATOM 1375 N LYS A 87 1.623 8.095 -4.087 1.00 0.00 N ATOM 1376 CA LYS A 87 1.002 9.382 -3.731 1.00 0.00 C ATOM 1377 C LYS A 87 0.851 10.338 -4.914 1.00 0.00 C ATOM 1378 O LYS A 87 -0.057 11.155 -4.917 1.00 0.00 O ATOM 1379 CB LYS A 87 1.741 10.079 -2.587 1.00 0.00 C ATOM 1380 CG LYS A 87 3.260 10.123 -2.770 1.00 0.00 C ATOM 1381 CD LYS A 87 3.929 11.247 -1.995 1.00 0.00 C ATOM 1382 CE LYS A 87 3.629 12.617 -2.607 1.00 0.00 C ATOM 1383 NZ LYS A 87 3.014 13.523 -1.607 1.00 0.00 N ATOM 0 H LYS A 87 2.503 7.921 -3.601 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.003 9.124 -3.397 1.00 0.00 H new ATOM 0 HB2 LYS A 87 1.366 11.098 -2.492 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.511 9.566 -1.653 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.684 9.170 -2.453 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.488 10.237 -3.830 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.587 11.229 -0.960 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.007 11.085 -1.977 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.550 13.060 -2.986 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.958 12.500 -3.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 2.490 14.276 -2.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 2.361 12.983 -1.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 3.759 13.946 -1.018 1.00 0.00 H new ATOM 1397 N ALA A 88 1.715 10.255 -5.918 1.00 0.00 N ATOM 1398 CA ALA A 88 1.640 11.110 -7.105 1.00 0.00 C ATOM 1399 C ALA A 88 0.398 10.803 -7.956 1.00 0.00 C ATOM 1400 O ALA A 88 -0.319 11.717 -8.374 1.00 0.00 O ATOM 1401 CB ALA A 88 2.917 10.930 -7.927 1.00 0.00 C ATOM 0 H ALA A 88 2.491 9.593 -5.936 1.00 0.00 H new ATOM 0 HA ALA A 88 1.550 12.147 -6.782 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.871 11.563 -8.814 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.780 11.212 -7.324 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.011 9.887 -8.230 1.00 0.00 H new ATOM 1407 N LYS A 89 0.119 9.511 -8.180 1.00 0.00 N ATOM 1408 CA LYS A 89 -1.073 9.035 -8.896 1.00 0.00 C ATOM 1409 C LYS A 89 -2.335 9.091 -8.025 1.00 0.00 C ATOM 1410 O LYS A 89 -3.420 9.377 -8.530 1.00 0.00 O ATOM 1411 CB LYS A 89 -0.774 7.618 -9.418 1.00 0.00 C ATOM 1412 CG LYS A 89 -1.808 7.134 -10.445 1.00 0.00 C ATOM 1413 CD LYS A 89 -1.332 5.843 -11.131 1.00 0.00 C ATOM 1414 CE LYS A 89 -2.262 5.404 -12.271 1.00 0.00 C ATOM 1415 NZ LYS A 89 -3.565 4.884 -11.780 1.00 0.00 N ATOM 0 H LYS A 89 0.726 8.755 -7.863 1.00 0.00 H new ATOM 0 HA LYS A 89 -1.288 9.694 -9.738 1.00 0.00 H new ATOM 0 HB2 LYS A 89 0.217 7.604 -9.872 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -0.750 6.924 -8.578 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -2.763 6.958 -9.951 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -1.974 7.909 -11.193 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.327 5.994 -11.525 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -1.268 5.045 -10.391 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -2.440 6.250 -12.935 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -1.767 4.633 -12.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -4.154 4.602 -12.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -3.401 4.060 -11.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -4.053 5.626 -11.239 1.00 0.00 H new ATOM 1429 N TYR A 90 -2.193 8.836 -6.721 1.00 0.00 N ATOM 1430 CA TYR A 90 -3.304 8.739 -5.762 1.00 0.00 C ATOM 1431 C TYR A 90 -3.696 10.087 -5.127 1.00 0.00 C ATOM 1432 O TYR A 90 -4.816 10.221 -4.636 1.00 0.00 O ATOM 1433 CB TYR A 90 -2.954 7.704 -4.673 1.00 0.00 C ATOM 1434 CG TYR A 90 -3.146 6.235 -5.045 1.00 0.00 C ATOM 1435 CD1 TYR A 90 -3.050 5.768 -6.375 1.00 0.00 C ATOM 1436 CD2 TYR A 90 -3.389 5.312 -4.010 1.00 0.00 C ATOM 1437 CE1 TYR A 90 -3.193 4.398 -6.667 1.00 0.00 C ATOM 1438 CE2 TYR A 90 -3.500 3.936 -4.295 1.00 0.00 C ATOM 1439 CZ TYR A 90 -3.417 3.475 -5.625 1.00 0.00 C ATOM 1440 OH TYR A 90 -3.549 2.149 -5.895 1.00 0.00 O ATOM 0 H TYR A 90 -1.281 8.687 -6.290 1.00 0.00 H new ATOM 0 HA TYR A 90 -4.180 8.414 -6.323 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.913 7.850 -4.385 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -3.561 7.916 -3.793 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.865 6.469 -7.176 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -3.491 5.660 -2.993 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -3.131 4.054 -7.689 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.649 3.231 -3.490 1.00 0.00 H new ATOM 0 HH TYR A 90 -3.697 1.658 -5.060 1.00 0.00 H new ATOM 1450 N ASP A 91 -2.811 11.087 -5.148 1.00 0.00 N ATOM 1451 CA ASP A 91 -3.018 12.413 -4.550 1.00 0.00 C ATOM 1452 C ASP A 91 -2.228 13.509 -5.312 1.00 0.00 C ATOM 1453 O ASP A 91 -1.201 14.001 -4.825 1.00 0.00 O ATOM 1454 CB ASP A 91 -2.656 12.386 -3.053 1.00 0.00 C ATOM 1455 CG ASP A 91 -3.099 13.681 -2.334 1.00 0.00 C ATOM 1456 OD1 ASP A 91 -3.702 14.579 -2.972 1.00 0.00 O ATOM 1457 OD2 ASP A 91 -2.800 13.822 -1.126 1.00 0.00 O ATOM 0 H ASP A 91 -1.899 10.995 -5.596 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.074 12.668 -4.638 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.130 11.526 -2.579 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -1.579 12.258 -2.941 1.00 0.00 H new ATOM 1462 N PRO A 92 -2.666 13.900 -6.526 1.00 0.00 N ATOM 1463 CA PRO A 92 -1.928 14.814 -7.409 1.00 0.00 C ATOM 1464 C PRO A 92 -1.769 16.256 -6.880 1.00 0.00 C ATOM 1465 O PRO A 92 -1.032 17.044 -7.476 1.00 0.00 O ATOM 1466 CB PRO A 92 -2.673 14.770 -8.749 1.00 0.00 C ATOM 1467 CG PRO A 92 -4.101 14.411 -8.345 1.00 0.00 C ATOM 1468 CD PRO A 92 -3.892 13.456 -7.175 1.00 0.00 C ATOM 0 HA PRO A 92 -0.893 14.483 -7.491 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.630 15.729 -9.265 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -2.246 14.027 -9.422 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -4.672 15.292 -8.051 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -4.645 13.937 -9.162 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.736 13.489 -6.485 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.803 12.426 -7.520 1.00 0.00 H new ATOM 1476 N ASP A 93 -2.408 16.607 -5.758 1.00 0.00 N ATOM 1477 CA ASP A 93 -2.255 17.892 -5.055 1.00 0.00 C ATOM 1478 C ASP A 93 -1.553 17.748 -3.683 1.00 0.00 C ATOM 1479 O ASP A 93 -1.199 18.749 -3.055 1.00 0.00 O ATOM 1480 CB ASP A 93 -3.636 18.546 -4.893 1.00 0.00 C ATOM 1481 CG ASP A 93 -4.233 18.986 -6.239 1.00 0.00 C ATOM 1482 OD1 ASP A 93 -3.772 20.010 -6.800 1.00 0.00 O ATOM 1483 OD2 ASP A 93 -5.183 18.331 -6.733 1.00 0.00 O ATOM 0 H ASP A 93 -3.070 15.984 -5.296 1.00 0.00 H new ATOM 0 HA ASP A 93 -1.609 18.527 -5.660 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.314 17.843 -4.409 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.551 19.411 -4.235 1.00 0.00 H new ATOM 1488 N GLY A 94 -1.317 16.514 -3.222 1.00 0.00 N ATOM 1489 CA GLY A 94 -0.681 16.181 -1.941 1.00 0.00 C ATOM 1490 C GLY A 94 -1.511 16.498 -0.683 1.00 0.00 C ATOM 1491 O GLY A 94 -0.991 16.362 0.427 1.00 0.00 O ATOM 0 H GLY A 94 -1.575 15.683 -3.755 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -0.444 15.117 -1.939 1.00 0.00 H new ATOM 0 HA3 GLY A 94 0.265 16.718 -1.875 1.00 0.00 H new ATOM 1495 N THR A 95 -2.764 16.937 -0.833 1.00 0.00 N ATOM 1496 CA THR A 95 -3.599 17.576 0.204 1.00 0.00 C ATOM 1497 C THR A 95 -3.841 16.717 1.453 1.00 0.00 C ATOM 1498 O THR A 95 -3.988 17.262 2.549 1.00 0.00 O ATOM 1499 CB THR A 95 -4.954 17.998 -0.396 1.00 0.00 C ATOM 1500 OG1 THR A 95 -4.752 18.683 -1.617 1.00 0.00 O ATOM 1501 CG2 THR A 95 -5.749 18.949 0.504 1.00 0.00 C ATOM 0 H THR A 95 -3.254 16.855 -1.724 1.00 0.00 H new ATOM 0 HA THR A 95 -3.030 18.443 0.539 1.00 0.00 H new ATOM 0 HB THR A 95 -5.515 17.072 -0.523 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.618 18.946 -1.992 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.691 19.205 0.020 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.951 18.463 1.458 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.170 19.857 0.675 1.00 0.00 H new ATOM 1509 N TYR A 96 -3.832 15.387 1.321 1.00 0.00 N ATOM 1510 CA TYR A 96 -4.000 14.437 2.433 1.00 0.00 C ATOM 1511 C TYR A 96 -2.798 13.495 2.585 1.00 0.00 C ATOM 1512 O TYR A 96 -2.495 13.076 3.700 1.00 0.00 O ATOM 1513 CB TYR A 96 -5.332 13.677 2.323 1.00 0.00 C ATOM 1514 CG TYR A 96 -5.748 13.340 0.909 1.00 0.00 C ATOM 1515 CD1 TYR A 96 -5.203 12.218 0.263 1.00 0.00 C ATOM 1516 CD2 TYR A 96 -6.620 14.204 0.221 1.00 0.00 C ATOM 1517 CE1 TYR A 96 -5.531 11.961 -1.079 1.00 0.00 C ATOM 1518 CE2 TYR A 96 -6.944 13.951 -1.123 1.00 0.00 C ATOM 1519 CZ TYR A 96 -6.402 12.825 -1.780 1.00 0.00 C ATOM 1520 OH TYR A 96 -6.711 12.574 -3.082 1.00 0.00 O ATOM 0 H TYR A 96 -3.705 14.927 0.419 1.00 0.00 H new ATOM 0 HA TYR A 96 -4.039 15.021 3.352 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.257 12.753 2.896 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -6.116 14.276 2.786 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -4.535 11.556 0.795 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -7.040 15.061 0.726 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -5.115 11.098 -1.578 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -7.608 14.618 -1.653 1.00 0.00 H new ATOM 0 HH TYR A 96 -7.323 13.265 -3.412 1.00 0.00 H new ATOM 1530 N SER A 97 -2.041 13.252 1.512 1.00 0.00 N ATOM 1531 CA SER A 97 -0.740 12.571 1.526 1.00 0.00 C ATOM 1532 C SER A 97 0.256 13.221 2.502 1.00 0.00 C ATOM 1533 O SER A 97 0.959 12.529 3.246 1.00 0.00 O ATOM 1534 CB SER A 97 -0.196 12.599 0.094 1.00 0.00 C ATOM 1535 OG SER A 97 1.110 12.069 0.002 1.00 0.00 O ATOM 0 H SER A 97 -2.326 13.534 0.574 1.00 0.00 H new ATOM 0 HA SER A 97 -0.872 11.547 1.877 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.862 12.031 -0.556 1.00 0.00 H new ATOM 0 HB3 SER A 97 -0.195 13.626 -0.271 1.00 0.00 H new ATOM 0 HG SER A 97 1.065 11.090 -0.024 1.00 0.00 H new ATOM 1541 N LYS A 98 0.274 14.563 2.568 1.00 0.00 N ATOM 1542 CA LYS A 98 1.180 15.324 3.447 1.00 0.00 C ATOM 1543 C LYS A 98 1.030 15.023 4.941 1.00 0.00 C ATOM 1544 O LYS A 98 2.001 15.186 5.677 1.00 0.00 O ATOM 1545 CB LYS A 98 1.022 16.846 3.206 1.00 0.00 C ATOM 1546 CG LYS A 98 2.323 17.517 2.745 1.00 0.00 C ATOM 1547 CD LYS A 98 2.756 17.063 1.345 1.00 0.00 C ATOM 1548 CE LYS A 98 4.133 17.652 1.018 1.00 0.00 C ATOM 1549 NZ LYS A 98 4.743 16.971 -0.151 1.00 0.00 N ATOM 0 H LYS A 98 -0.343 15.154 2.010 1.00 0.00 H new ATOM 0 HA LYS A 98 2.181 14.992 3.172 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.249 17.011 2.456 1.00 0.00 H new ATOM 0 HB3 LYS A 98 0.681 17.321 4.126 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.190 18.599 2.747 1.00 0.00 H new ATOM 0 HG3 LYS A 98 3.116 17.292 3.458 1.00 0.00 H new ATOM 0 HD2 LYS A 98 2.795 15.975 1.300 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.025 17.387 0.604 1.00 0.00 H new ATOM 0 HE2 LYS A 98 4.036 18.718 0.812 1.00 0.00 H new ATOM 0 HE3 LYS A 98 4.789 17.553 1.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 5.763 17.174 -0.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 4.596 15.945 -0.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 4.298 17.317 -1.025 1.00 0.00 H new ATOM 1563 N LYS A 99 -0.153 14.577 5.387 1.00 0.00 N ATOM 1564 CA LYS A 99 -0.502 14.342 6.804 1.00 0.00 C ATOM 1565 C LYS A 99 0.364 13.279 7.503 1.00 0.00 C ATOM 1566 O LYS A 99 0.402 13.242 8.734 1.00 0.00 O ATOM 1567 CB LYS A 99 -1.995 14.002 6.924 1.00 0.00 C ATOM 1568 CG LYS A 99 -2.874 15.167 6.430 1.00 0.00 C ATOM 1569 CD LYS A 99 -4.361 14.972 6.752 1.00 0.00 C ATOM 1570 CE LYS A 99 -4.597 15.080 8.263 1.00 0.00 C ATOM 1571 NZ LYS A 99 -6.042 15.007 8.603 1.00 0.00 N ATOM 0 H LYS A 99 -0.923 14.361 4.753 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.288 15.272 7.331 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.214 13.106 6.343 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.237 13.776 7.963 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -2.528 16.095 6.885 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -2.752 15.276 5.352 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -4.955 15.722 6.230 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.693 13.997 6.394 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.063 14.278 8.772 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.185 16.020 8.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -6.160 15.084 9.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.548 15.787 8.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -6.430 14.099 8.277 1.00 0.00 H new ATOM 1585 N TYR A 100 1.048 12.427 6.732 1.00 0.00 N ATOM 1586 CA TYR A 100 1.950 11.378 7.221 1.00 0.00 C ATOM 1587 C TYR A 100 3.245 11.259 6.397 1.00 0.00 C ATOM 1588 O TYR A 100 4.237 10.752 6.920 1.00 0.00 O ATOM 1589 CB TYR A 100 1.189 10.046 7.299 1.00 0.00 C ATOM 1590 CG TYR A 100 0.326 9.800 6.084 1.00 0.00 C ATOM 1591 CD1 TYR A 100 -0.982 10.318 6.043 1.00 0.00 C ATOM 1592 CD2 TYR A 100 0.868 9.167 4.955 1.00 0.00 C ATOM 1593 CE1 TYR A 100 -1.735 10.246 4.863 1.00 0.00 C ATOM 1594 CE2 TYR A 100 0.105 9.076 3.784 1.00 0.00 C ATOM 1595 CZ TYR A 100 -1.196 9.620 3.721 1.00 0.00 C ATOM 1596 OH TYR A 100 -1.943 9.472 2.593 1.00 0.00 O ATOM 0 H TYR A 100 0.987 12.449 5.714 1.00 0.00 H new ATOM 0 HA TYR A 100 2.279 11.659 8.221 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.903 9.229 7.405 1.00 0.00 H new ATOM 0 HB3 TYR A 100 0.564 10.040 8.192 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -1.408 10.773 6.925 1.00 0.00 H new ATOM 0 HD2 TYR A 100 1.865 8.753 4.989 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -2.728 10.670 4.829 1.00 0.00 H new ATOM 0 HE2 TYR A 100 0.518 8.582 2.917 1.00 0.00 H new ATOM 0 HH TYR A 100 -1.411 9.020 1.905 1.00 0.00 H new ATOM 1606 N GLU A 101 3.297 11.765 5.154 1.00 0.00 N ATOM 1607 CA GLU A 101 4.561 11.938 4.418 1.00 0.00 C ATOM 1608 C GLU A 101 5.560 12.826 5.183 1.00 0.00 C ATOM 1609 O GLU A 101 6.748 12.502 5.267 1.00 0.00 O ATOM 1610 CB GLU A 101 4.281 12.528 3.023 1.00 0.00 C ATOM 1611 CG GLU A 101 5.577 12.856 2.272 1.00 0.00 C ATOM 1612 CD GLU A 101 5.326 13.246 0.812 1.00 0.00 C ATOM 1613 OE1 GLU A 101 4.648 14.268 0.536 1.00 0.00 O ATOM 1614 OE2 GLU A 101 5.804 12.523 -0.081 1.00 0.00 O ATOM 0 H GLU A 101 2.472 12.064 4.634 1.00 0.00 H new ATOM 0 HA GLU A 101 5.018 10.954 4.312 1.00 0.00 H new ATOM 0 HB2 GLU A 101 3.693 11.819 2.440 1.00 0.00 H new ATOM 0 HB3 GLU A 101 3.681 13.432 3.125 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.091 13.672 2.780 1.00 0.00 H new ATOM 0 HG3 GLU A 101 6.241 11.992 2.305 1.00 0.00 H new ATOM 1621 N ASP A 102 5.078 13.928 5.767 1.00 0.00 N ATOM 1622 CA ASP A 102 5.885 14.906 6.507 1.00 0.00 C ATOM 1623 C ASP A 102 6.670 14.315 7.696 1.00 0.00 C ATOM 1624 O ASP A 102 7.666 14.901 8.128 1.00 0.00 O ATOM 1625 CB ASP A 102 5.017 16.101 6.938 1.00 0.00 C ATOM 1626 CG ASP A 102 4.179 15.867 8.215 1.00 0.00 C ATOM 1627 OD1 ASP A 102 3.646 14.753 8.424 1.00 0.00 O ATOM 1628 OD2 ASP A 102 4.063 16.817 9.027 1.00 0.00 O ATOM 0 H ASP A 102 4.088 14.172 5.738 1.00 0.00 H new ATOM 0 HA ASP A 102 6.652 15.252 5.814 1.00 0.00 H new ATOM 0 HB2 ASP A 102 5.665 16.963 7.098 1.00 0.00 H new ATOM 0 HB3 ASP A 102 4.343 16.356 6.120 1.00 0.00 H new ATOM 1633 N ARG A 103 6.235 13.159 8.218 1.00 0.00 N ATOM 1634 CA ARG A 103 6.898 12.425 9.305 1.00 0.00 C ATOM 1635 C ARG A 103 8.318 11.976 8.944 1.00 0.00 C ATOM 1636 O ARG A 103 9.164 11.891 9.835 1.00 0.00 O ATOM 1637 CB ARG A 103 6.023 11.221 9.712 1.00 0.00 C ATOM 1638 CG ARG A 103 6.253 10.747 11.157 1.00 0.00 C ATOM 1639 CD ARG A 103 5.693 11.736 12.190 1.00 0.00 C ATOM 1640 NE ARG A 103 5.928 11.270 13.571 1.00 0.00 N ATOM 1641 CZ ARG A 103 5.517 11.859 14.681 1.00 0.00 C ATOM 1642 NH1 ARG A 103 4.806 12.951 14.665 1.00 0.00 N ATOM 1643 NH2 ARG A 103 5.819 11.357 15.844 1.00 0.00 N ATOM 0 H ARG A 103 5.389 12.696 7.886 1.00 0.00 H new ATOM 0 HA ARG A 103 7.007 13.106 10.149 1.00 0.00 H new ATOM 0 HB2 ARG A 103 4.973 11.489 9.590 1.00 0.00 H new ATOM 0 HB3 ARG A 103 6.222 10.393 9.032 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.783 9.774 11.297 1.00 0.00 H new ATOM 0 HG3 ARG A 103 7.321 10.613 11.327 1.00 0.00 H new ATOM 0 HD2 ARG A 103 6.159 12.712 12.050 1.00 0.00 H new ATOM 0 HD3 ARG A 103 4.623 11.867 12.027 1.00 0.00 H new ATOM 0 HE ARG A 103 6.461 10.407 13.680 1.00 0.00 H new ATOM 0 HH11 ARG A 103 4.549 13.379 13.776 1.00 0.00 H new ATOM 0 HH12 ARG A 103 4.507 13.377 15.542 1.00 0.00 H new ATOM 0 HH21 ARG A 103 6.376 10.504 15.902 1.00 0.00 H new ATOM 0 HH22 ARG A 103 5.499 11.816 16.697 1.00 0.00 H new ATOM 1657 N GLU A 104 8.598 11.742 7.657 1.00 0.00 N ATOM 1658 CA GLU A 104 9.908 11.272 7.172 1.00 0.00 C ATOM 1659 C GLU A 104 10.483 12.161 6.053 1.00 0.00 C ATOM 1660 O GLU A 104 11.641 12.575 6.130 1.00 0.00 O ATOM 1661 CB GLU A 104 9.836 9.819 6.661 1.00 0.00 C ATOM 1662 CG GLU A 104 8.936 8.843 7.433 1.00 0.00 C ATOM 1663 CD GLU A 104 9.245 8.710 8.938 1.00 0.00 C ATOM 1664 OE1 GLU A 104 10.420 8.853 9.356 1.00 0.00 O ATOM 1665 OE2 GLU A 104 8.287 8.419 9.697 1.00 0.00 O ATOM 0 H GLU A 104 7.915 11.874 6.911 1.00 0.00 H new ATOM 0 HA GLU A 104 10.573 11.327 8.034 1.00 0.00 H new ATOM 0 HB2 GLU A 104 9.497 9.842 5.625 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.848 9.413 6.656 1.00 0.00 H new ATOM 0 HG2 GLU A 104 7.900 9.162 7.319 1.00 0.00 H new ATOM 0 HG3 GLU A 104 9.019 7.858 6.974 1.00 0.00 H new ATOM 1672 N LYS A 105 9.669 12.481 5.031 1.00 0.00 N ATOM 1673 CA LYS A 105 9.995 13.317 3.853 1.00 0.00 C ATOM 1674 C LYS A 105 11.307 12.957 3.117 1.00 0.00 C ATOM 1675 O LYS A 105 11.902 13.792 2.439 1.00 0.00 O ATOM 1676 CB LYS A 105 9.858 14.801 4.276 1.00 0.00 C ATOM 1677 CG LYS A 105 9.218 15.734 3.224 1.00 0.00 C ATOM 1678 CD LYS A 105 10.176 16.554 2.343 1.00 0.00 C ATOM 1679 CE LYS A 105 11.072 17.477 3.182 1.00 0.00 C ATOM 1680 NZ LYS A 105 11.863 18.407 2.335 1.00 0.00 N ATOM 0 H LYS A 105 8.707 12.144 5.000 1.00 0.00 H new ATOM 0 HA LYS A 105 9.276 13.103 3.063 1.00 0.00 H new ATOM 0 HB2 LYS A 105 9.263 14.848 5.188 1.00 0.00 H new ATOM 0 HB3 LYS A 105 10.848 15.184 4.522 1.00 0.00 H new ATOM 0 HG2 LYS A 105 8.592 15.128 2.570 1.00 0.00 H new ATOM 0 HG3 LYS A 105 8.558 16.428 3.744 1.00 0.00 H new ATOM 0 HD2 LYS A 105 10.798 15.878 1.756 1.00 0.00 H new ATOM 0 HD3 LYS A 105 9.599 17.151 1.637 1.00 0.00 H new ATOM 0 HE2 LYS A 105 10.455 18.052 3.872 1.00 0.00 H new ATOM 0 HE3 LYS A 105 11.749 16.873 3.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 12.454 19.011 2.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 12.472 17.860 1.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 11.218 19.002 1.777 1.00 0.00 H new ATOM 1694 N GLU A 106 11.752 11.700 3.194 1.00 0.00 N ATOM 1695 CA GLU A 106 12.985 11.159 2.574 1.00 0.00 C ATOM 1696 C GLU A 106 12.883 10.916 1.041 1.00 0.00 C ATOM 1697 O GLU A 106 13.391 9.924 0.515 1.00 0.00 O ATOM 1698 CB GLU A 106 13.426 9.879 3.316 1.00 0.00 C ATOM 1699 CG GLU A 106 13.710 10.112 4.805 1.00 0.00 C ATOM 1700 CD GLU A 106 14.465 8.918 5.419 1.00 0.00 C ATOM 1701 OE1 GLU A 106 13.813 7.944 5.868 1.00 0.00 O ATOM 1702 OE2 GLU A 106 15.721 8.946 5.464 1.00 0.00 O ATOM 0 H GLU A 106 11.242 10.987 3.716 1.00 0.00 H new ATOM 0 HA GLU A 106 13.747 11.931 2.682 1.00 0.00 H new ATOM 0 HB2 GLU A 106 12.648 9.122 3.215 1.00 0.00 H new ATOM 0 HB3 GLU A 106 14.322 9.481 2.840 1.00 0.00 H new ATOM 0 HG2 GLU A 106 14.299 11.021 4.928 1.00 0.00 H new ATOM 0 HG3 GLU A 106 12.772 10.266 5.338 1.00 0.00 H new ATOM 1709 N LEU A 107 12.200 11.808 0.314 1.00 0.00 N ATOM 1710 CA LEU A 107 11.864 11.687 -1.117 1.00 0.00 C ATOM 1711 C LEU A 107 12.086 12.988 -1.929 1.00 0.00 C ATOM 1712 O LEU A 107 11.451 13.206 -2.963 1.00 0.00 O ATOM 1713 CB LEU A 107 10.476 11.049 -1.300 1.00 0.00 C ATOM 1714 CG LEU A 107 9.257 11.660 -0.592 1.00 0.00 C ATOM 1715 CD1 LEU A 107 8.995 10.984 0.756 1.00 0.00 C ATOM 1716 CD2 LEU A 107 9.272 13.182 -0.402 1.00 0.00 C ATOM 0 H LEU A 107 11.849 12.674 0.722 1.00 0.00 H new ATOM 0 HA LEU A 107 12.584 11.000 -1.561 1.00 0.00 H new ATOM 0 HB2 LEU A 107 10.261 11.039 -2.368 1.00 0.00 H new ATOM 0 HB3 LEU A 107 10.551 10.010 -0.980 1.00 0.00 H new ATOM 0 HG LEU A 107 8.444 11.463 -1.291 1.00 0.00 H new ATOM 0 HD11 LEU A 107 8.126 11.441 1.229 1.00 0.00 H new ATOM 0 HD12 LEU A 107 8.807 9.922 0.600 1.00 0.00 H new ATOM 0 HD13 LEU A 107 9.866 11.107 1.400 1.00 0.00 H new ATOM 0 HD21 LEU A 107 8.361 13.494 0.108 1.00 0.00 H new ATOM 0 HD22 LEU A 107 10.138 13.465 0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 107 9.328 13.670 -1.375 1.00 0.00 H new ATOM 1728 N HIS A 108 12.993 13.856 -1.463 1.00 0.00 N ATOM 1729 CA HIS A 108 13.298 15.173 -2.054 1.00 0.00 C ATOM 1730 C HIS A 108 14.810 15.373 -2.282 1.00 0.00 C ATOM 1731 O HIS A 108 15.634 14.676 -1.681 1.00 0.00 O ATOM 1732 CB HIS A 108 12.692 16.255 -1.140 1.00 0.00 C ATOM 1733 CG HIS A 108 12.682 17.641 -1.742 1.00 0.00 C ATOM 1734 ND1 HIS A 108 11.739 18.140 -2.625 1.00 0.00 N ATOM 1735 CD2 HIS A 108 13.607 18.626 -1.523 1.00 0.00 C ATOM 1736 CE1 HIS A 108 12.088 19.404 -2.940 1.00 0.00 C ATOM 1737 NE2 HIS A 108 13.222 19.719 -2.281 1.00 0.00 N ATOM 0 H HIS A 108 13.556 13.657 -0.636 1.00 0.00 H new ATOM 0 HA HIS A 108 12.852 15.244 -3.046 1.00 0.00 H new ATOM 0 HB2 HIS A 108 11.669 15.972 -0.890 1.00 0.00 H new ATOM 0 HB3 HIS A 108 13.253 16.281 -0.206 1.00 0.00 H new ATOM 0 HD2 HIS A 108 14.473 18.563 -0.881 1.00 0.00 H new ATOM 0 HE1 HIS A 108 11.548 20.057 -3.610 1.00 0.00 H new ATOM 0 HE2 HIS A 108 13.713 20.612 -2.332 1.00 0.00 H new ATOM 1746 N GLN A 109 15.160 16.320 -3.163 1.00 0.00 N ATOM 1747 CA GLN A 109 16.537 16.703 -3.537 1.00 0.00 C ATOM 1748 C GLN A 109 17.410 17.105 -2.331 1.00 0.00 C ATOM 1749 O GLN A 109 16.937 17.882 -1.469 1.00 0.00 O ATOM 1750 CB GLN A 109 16.497 17.834 -4.582 1.00 0.00 C ATOM 1751 CG GLN A 109 15.841 17.408 -5.911 1.00 0.00 C ATOM 1752 CD GLN A 109 15.877 18.495 -6.995 1.00 0.00 C ATOM 1753 OE1 GLN A 109 16.030 19.686 -6.745 1.00 0.00 O ATOM 1754 NE2 GLN A 109 15.736 18.133 -8.255 1.00 0.00 N ATOM 1755 OXT GLN A 109 18.578 16.656 -2.269 1.00 0.00 O ATOM 0 H GLN A 109 14.460 16.869 -3.661 1.00 0.00 H new ATOM 0 HA GLN A 109 17.008 15.819 -3.966 1.00 0.00 H new ATOM 0 HB2 GLN A 109 15.950 18.682 -4.170 1.00 0.00 H new ATOM 0 HB3 GLN A 109 17.514 18.175 -4.779 1.00 0.00 H new ATOM 0 HG2 GLN A 109 16.345 16.517 -6.286 1.00 0.00 H new ATOM 0 HG3 GLN A 109 14.804 17.131 -5.721 1.00 0.00 H new ATOM 0 HE21 GLN A 109 15.607 17.149 -8.492 1.00 0.00 H new ATOM 0 HE22 GLN A 109 15.756 18.837 -8.993 1.00 0.00 H new TER 1764 GLN A 109