USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 384 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 10 HIS :FLIP no HD1:sc= -0.0718 F(o=-3.5,f=-1) USER MOD Set 1.2: A 13 GLN : amide:sc= -0.955 K(o=-1,f=-3.4!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0376 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -106:sc= 1.04 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -142:sc= -11.3! (180deg=-14!) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -1.48! C(o=-1.5!,f=-2.7!) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0.326 K(o=0.33,f=-3.3!) USER MOD Single : A 34 TYR OH : rot 165:sc= -3.71! USER MOD Single : A 35 ASN : amide:sc= 0 K(o=0,f=-1.9) USER MOD Single : A 37 ASN : amide:sc= -3.51! C(o=-3.5!,f=-7.8!) USER MOD Single : A 39 GLN : amide:sc= -0.0125 X(o=-0.013,f=-0.18) USER MOD Single : A 44 THR OG1 : rot 3:sc= 0.741 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.109 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -149:sc= -0.267 (180deg=-1.1) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 74:sc= 1.2 USER MOD Single : A 59 GLN : amide:sc= -0.0375 K(o=-0.038,f=-0.78) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 38:sc= 0.7 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.502 17.955 -4.788 1.00 0.00 N ATOM 2 CA GLY A 1 25.080 16.858 -3.934 1.00 0.00 C ATOM 3 C GLY A 1 25.443 15.508 -4.555 1.00 0.00 C ATOM 4 O GLY A 1 26.605 15.106 -4.538 1.00 0.00 O ATOM 0 H1 GLY A 1 25.244 18.859 -4.344 1.00 0.00 H new ATOM 0 H2 GLY A 1 26.533 17.916 -4.920 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.031 17.876 -5.712 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.553 16.951 -2.956 1.00 0.00 H new ATOM 0 HA3 GLY A 1 24.003 16.911 -3.774 1.00 0.00 H new ATOM 8 N SER A 2 24.428 14.846 -5.090 1.00 0.00 N ATOM 9 CA SER A 2 24.627 13.549 -5.716 1.00 0.00 C ATOM 10 C SER A 2 23.600 13.344 -6.831 1.00 0.00 C ATOM 11 O SER A 2 22.469 12.934 -6.573 1.00 0.00 O ATOM 12 CB SER A 2 24.526 12.420 -4.688 1.00 0.00 C ATOM 13 OG SER A 2 25.405 12.622 -3.585 1.00 0.00 O ATOM 0 H SER A 2 23.465 15.183 -5.103 1.00 0.00 H new ATOM 0 HA SER A 2 25.629 13.526 -6.144 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.500 12.350 -4.326 1.00 0.00 H new ATOM 0 HB3 SER A 2 24.760 11.470 -5.169 1.00 0.00 H new ATOM 0 HG SER A 2 25.310 11.881 -2.951 1.00 0.00 H new ATOM 18 N SER A 3 24.029 13.639 -8.049 1.00 0.00 N ATOM 19 CA SER A 3 23.162 13.492 -9.206 1.00 0.00 C ATOM 20 C SER A 3 23.914 13.888 -10.478 1.00 0.00 C ATOM 21 O SER A 3 23.787 15.016 -10.953 1.00 0.00 O ATOM 22 CB SER A 3 21.894 14.335 -9.053 1.00 0.00 C ATOM 23 OG SER A 3 20.804 13.800 -9.799 1.00 0.00 O ATOM 0 H SER A 3 24.967 13.980 -8.260 1.00 0.00 H new ATOM 0 HA SER A 3 22.864 12.446 -9.280 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.620 14.390 -7.999 1.00 0.00 H new ATOM 0 HB3 SER A 3 22.094 15.354 -9.384 1.00 0.00 H new ATOM 0 HG SER A 3 20.013 14.365 -9.674 1.00 0.00 H new ATOM 28 N GLY A 4 24.681 12.940 -10.994 1.00 0.00 N ATOM 29 CA GLY A 4 25.453 13.175 -12.202 1.00 0.00 C ATOM 30 C GLY A 4 24.603 12.938 -13.452 1.00 0.00 C ATOM 31 O GLY A 4 24.877 12.025 -14.229 1.00 0.00 O ATOM 0 H GLY A 4 24.785 12.006 -10.597 1.00 0.00 H new ATOM 0 HA2 GLY A 4 25.830 14.198 -12.203 1.00 0.00 H new ATOM 0 HA3 GLY A 4 26.320 12.515 -12.217 1.00 0.00 H new ATOM 35 N SER A 5 23.587 13.775 -13.605 1.00 0.00 N ATOM 36 CA SER A 5 22.695 13.668 -14.747 1.00 0.00 C ATOM 37 C SER A 5 21.590 14.721 -14.647 1.00 0.00 C ATOM 38 O SER A 5 20.471 14.415 -14.238 1.00 0.00 O ATOM 39 CB SER A 5 22.086 12.267 -14.840 1.00 0.00 C ATOM 40 OG SER A 5 21.096 12.182 -15.861 1.00 0.00 O ATOM 0 H SER A 5 23.362 14.530 -12.957 1.00 0.00 H new ATOM 0 HA SER A 5 23.275 13.844 -15.653 1.00 0.00 H new ATOM 0 HB2 SER A 5 22.875 11.541 -15.039 1.00 0.00 H new ATOM 0 HB3 SER A 5 21.642 12.000 -13.881 1.00 0.00 H new ATOM 0 HG SER A 5 20.733 11.272 -15.889 1.00 0.00 H new ATOM 45 N SER A 6 21.941 15.940 -15.030 1.00 0.00 N ATOM 46 CA SER A 6 20.994 17.040 -14.990 1.00 0.00 C ATOM 47 C SER A 6 19.838 16.770 -15.955 1.00 0.00 C ATOM 48 O SER A 6 19.901 17.144 -17.125 1.00 0.00 O ATOM 49 CB SER A 6 21.674 18.367 -15.333 1.00 0.00 C ATOM 50 OG SER A 6 22.769 18.646 -14.465 1.00 0.00 O ATOM 0 H SER A 6 22.870 16.190 -15.370 1.00 0.00 H new ATOM 0 HA SER A 6 20.602 17.117 -13.976 1.00 0.00 H new ATOM 0 HB2 SER A 6 22.027 18.338 -16.364 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.945 19.175 -15.269 1.00 0.00 H new ATOM 0 HG SER A 6 23.177 19.500 -14.718 1.00 0.00 H new ATOM 55 N GLY A 7 18.808 16.124 -15.429 1.00 0.00 N ATOM 56 CA GLY A 7 17.639 15.800 -16.230 1.00 0.00 C ATOM 57 C GLY A 7 16.364 16.340 -15.582 1.00 0.00 C ATOM 58 O GLY A 7 15.587 15.581 -15.003 1.00 0.00 O ATOM 0 H GLY A 7 18.758 15.816 -14.458 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.750 16.222 -17.229 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.562 14.719 -16.347 1.00 0.00 H new ATOM 62 N PRO A 8 16.181 17.683 -15.703 1.00 0.00 N ATOM 63 CA PRO A 8 15.013 18.334 -15.135 1.00 0.00 C ATOM 64 C PRO A 8 13.766 18.055 -15.977 1.00 0.00 C ATOM 65 O PRO A 8 13.127 18.981 -16.474 1.00 0.00 O ATOM 66 CB PRO A 8 15.373 19.810 -15.080 1.00 0.00 C ATOM 67 CG PRO A 8 16.538 19.991 -16.040 1.00 0.00 C ATOM 68 CD PRO A 8 17.080 18.613 -16.381 1.00 0.00 C ATOM 0 HA PRO A 8 14.765 17.960 -14.142 1.00 0.00 H new ATOM 0 HB2 PRO A 8 14.526 20.430 -15.373 1.00 0.00 H new ATOM 0 HB3 PRO A 8 15.651 20.107 -14.069 1.00 0.00 H new ATOM 0 HG2 PRO A 8 16.212 20.507 -16.943 1.00 0.00 H new ATOM 0 HG3 PRO A 8 17.315 20.605 -15.585 1.00 0.00 H new ATOM 0 HD2 PRO A 8 17.085 18.445 -17.458 1.00 0.00 H new ATOM 0 HD3 PRO A 8 18.107 18.495 -16.035 1.00 0.00 H new ATOM 73 N SER A 9 13.458 16.773 -16.112 1.00 0.00 N ATOM 74 CA SER A 9 12.300 16.360 -16.886 1.00 0.00 C ATOM 75 C SER A 9 11.764 15.029 -16.354 1.00 0.00 C ATOM 76 O SER A 9 12.125 13.965 -16.856 1.00 0.00 O ATOM 77 CB SER A 9 12.644 16.237 -18.371 1.00 0.00 C ATOM 78 OG SER A 9 12.170 17.352 -19.122 1.00 0.00 O ATOM 0 H SER A 9 13.990 16.007 -15.699 1.00 0.00 H new ATOM 0 HA SER A 9 11.529 17.124 -16.782 1.00 0.00 H new ATOM 0 HB2 SER A 9 13.725 16.154 -18.487 1.00 0.00 H new ATOM 0 HB3 SER A 9 12.209 15.320 -18.769 1.00 0.00 H new ATOM 0 HG SER A 9 12.411 17.237 -20.065 1.00 0.00 H new ATOM 83 N HIS A 10 10.910 15.131 -15.346 1.00 0.00 N ATOM 84 CA HIS A 10 10.320 13.950 -14.741 1.00 0.00 C ATOM 85 C HIS A 10 8.924 14.286 -14.211 1.00 0.00 C ATOM 86 O HIS A 10 8.768 15.191 -13.395 1.00 0.00 O ATOM 87 CB HIS A 10 11.240 13.374 -13.663 1.00 0.00 C ATOM 88 CG HIS A 10 10.975 11.923 -13.339 1.00 0.00 C ATOM 89 ND1 HIS A 10 9.977 11.088 -13.746 1.00 0.00 N flip ATOM 90 CD2 HIS A 10 11.790 11.181 -12.503 1.00 0.00 C flip ATOM 91 CE1 HIS A 10 10.172 9.898 -13.190 1.00 0.00 C flip ATOM 92 NE2 HIS A 10 11.295 9.955 -12.418 1.00 0.00 N flip ATOM 0 H HIS A 10 10.613 16.015 -14.933 1.00 0.00 H new ATOM 0 HA HIS A 10 10.206 13.171 -15.494 1.00 0.00 H new ATOM 0 HB2 HIS A 10 12.275 13.480 -13.989 1.00 0.00 H new ATOM 0 HB3 HIS A 10 11.131 13.964 -12.753 1.00 0.00 H new ATOM 0 HD2 HIS A 10 12.678 11.540 -12.005 1.00 0.00 H new ATOM 0 HE1 HIS A 10 9.545 9.029 -13.326 1.00 0.00 H new ATOM 0 HE2 HIS A 10 11.685 9.188 -11.871 1.00 0.00 H new ATOM 99 N SER A 11 7.945 13.537 -14.699 1.00 0.00 N ATOM 100 CA SER A 11 6.568 13.745 -14.285 1.00 0.00 C ATOM 101 C SER A 11 5.931 12.408 -13.900 1.00 0.00 C ATOM 102 O SER A 11 6.242 11.375 -14.490 1.00 0.00 O ATOM 103 CB SER A 11 5.756 14.420 -15.391 1.00 0.00 C ATOM 104 OG SER A 11 5.906 15.838 -15.374 1.00 0.00 O ATOM 0 H SER A 11 8.078 12.786 -15.376 1.00 0.00 H new ATOM 0 HA SER A 11 6.567 14.405 -13.417 1.00 0.00 H new ATOM 0 HB2 SER A 11 6.072 14.034 -16.360 1.00 0.00 H new ATOM 0 HB3 SER A 11 4.703 14.165 -15.274 1.00 0.00 H new ATOM 0 HG SER A 11 5.373 16.232 -16.096 1.00 0.00 H new ATOM 109 N LEU A 12 5.050 12.472 -12.912 1.00 0.00 N ATOM 110 CA LEU A 12 4.366 11.280 -12.441 1.00 0.00 C ATOM 111 C LEU A 12 5.392 10.301 -11.867 1.00 0.00 C ATOM 112 O LEU A 12 6.103 9.631 -12.616 1.00 0.00 O ATOM 113 CB LEU A 12 3.502 10.682 -13.554 1.00 0.00 C ATOM 114 CG LEU A 12 2.086 11.247 -13.679 1.00 0.00 C ATOM 115 CD1 LEU A 12 1.528 11.018 -15.086 1.00 0.00 C ATOM 116 CD2 LEU A 12 1.168 10.672 -12.598 1.00 0.00 C ATOM 0 H LEU A 12 4.794 13.331 -12.425 1.00 0.00 H new ATOM 0 HA LEU A 12 3.677 11.531 -11.634 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.016 10.828 -14.504 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.430 9.606 -13.393 1.00 0.00 H new ATOM 0 HG LEU A 12 2.133 12.325 -13.521 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.520 11.429 -15.149 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.168 11.513 -15.816 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.498 9.949 -15.296 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.168 11.090 -12.710 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.121 9.588 -12.699 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.560 10.928 -11.614 1.00 0.00 H new ATOM 127 N GLN A 13 5.438 10.250 -10.544 1.00 0.00 N ATOM 128 CA GLN A 13 6.366 9.364 -9.861 1.00 0.00 C ATOM 129 C GLN A 13 5.716 8.002 -9.614 1.00 0.00 C ATOM 130 O GLN A 13 4.549 7.928 -9.232 1.00 0.00 O ATOM 131 CB GLN A 13 6.853 9.985 -8.550 1.00 0.00 C ATOM 132 CG GLN A 13 8.356 9.768 -8.365 1.00 0.00 C ATOM 133 CD GLN A 13 9.146 10.380 -9.523 1.00 0.00 C ATOM 134 OE1 GLN A 13 8.606 11.035 -10.398 1.00 0.00 O ATOM 135 NE2 GLN A 13 10.452 10.131 -9.478 1.00 0.00 N ATOM 0 H GLN A 13 4.848 10.808 -9.927 1.00 0.00 H new ATOM 0 HA GLN A 13 7.236 9.218 -10.501 1.00 0.00 H new ATOM 0 HB2 GLN A 13 6.633 11.053 -8.545 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.313 9.545 -7.712 1.00 0.00 H new ATOM 0 HG2 GLN A 13 8.678 10.215 -7.424 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.567 8.701 -8.300 1.00 0.00 H new ATOM 0 HE21 GLN A 13 10.839 9.575 -8.716 1.00 0.00 H new ATOM 0 HE22 GLN A 13 11.066 10.497 -10.206 1.00 0.00 H new ATOM 142 N ALA A 14 6.499 6.958 -9.842 1.00 0.00 N ATOM 143 CA ALA A 14 6.014 5.602 -9.649 1.00 0.00 C ATOM 144 C ALA A 14 5.177 5.542 -8.370 1.00 0.00 C ATOM 145 O ALA A 14 5.361 6.353 -7.464 1.00 0.00 O ATOM 146 CB ALA A 14 7.199 4.636 -9.615 1.00 0.00 C ATOM 0 H ALA A 14 7.466 7.024 -10.159 1.00 0.00 H new ATOM 0 HA ALA A 14 5.373 5.302 -10.478 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.835 3.619 -9.470 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.744 4.696 -10.557 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.863 4.904 -8.794 1.00 0.00 H new ATOM 152 N PRO A 15 4.249 4.548 -8.336 1.00 0.00 N ATOM 153 CA PRO A 15 3.383 4.371 -7.184 1.00 0.00 C ATOM 154 C PRO A 15 4.147 3.747 -6.014 1.00 0.00 C ATOM 155 O PRO A 15 4.469 4.429 -5.043 1.00 0.00 O ATOM 156 CB PRO A 15 2.241 3.499 -7.680 1.00 0.00 C ATOM 157 CG PRO A 15 2.743 2.838 -8.953 1.00 0.00 C ATOM 158 CD PRO A 15 4.003 3.568 -9.390 1.00 0.00 C ATOM 0 HA PRO A 15 3.005 5.316 -6.794 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.967 2.753 -6.934 1.00 0.00 H new ATOM 0 HB3 PRO A 15 1.350 4.096 -7.875 1.00 0.00 H new ATOM 0 HG2 PRO A 15 2.954 1.783 -8.778 1.00 0.00 H new ATOM 0 HG3 PRO A 15 1.984 2.886 -9.733 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.842 2.881 -9.495 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.865 4.052 -10.357 1.00 0.00 H new ATOM 163 N GLU A 16 4.414 2.456 -6.146 1.00 0.00 N ATOM 164 CA GLU A 16 5.134 1.731 -5.112 1.00 0.00 C ATOM 165 C GLU A 16 6.247 2.605 -4.530 1.00 0.00 C ATOM 166 O GLU A 16 6.456 2.622 -3.317 1.00 0.00 O ATOM 167 CB GLU A 16 5.697 0.416 -5.654 1.00 0.00 C ATOM 168 CG GLU A 16 6.364 0.625 -7.016 1.00 0.00 C ATOM 169 CD GLU A 16 7.867 0.351 -6.936 1.00 0.00 C ATOM 170 OE1 GLU A 16 8.446 0.663 -5.873 1.00 0.00 O ATOM 171 OE2 GLU A 16 8.404 -0.163 -7.942 1.00 0.00 O ATOM 0 H GLU A 16 4.145 1.893 -6.953 1.00 0.00 H new ATOM 0 HA GLU A 16 4.434 1.486 -4.313 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.421 0.008 -4.949 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.895 -0.317 -5.746 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.909 -0.036 -7.754 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.194 1.647 -7.356 1.00 0.00 H new ATOM 176 N VAL A 17 6.933 3.307 -5.420 1.00 0.00 N ATOM 177 CA VAL A 17 8.019 4.180 -5.009 1.00 0.00 C ATOM 178 C VAL A 17 7.464 5.291 -4.114 1.00 0.00 C ATOM 179 O VAL A 17 7.976 5.526 -3.021 1.00 0.00 O ATOM 180 CB VAL A 17 8.755 4.714 -6.239 1.00 0.00 C ATOM 181 CG1 VAL A 17 9.807 5.751 -5.842 1.00 0.00 C ATOM 182 CG2 VAL A 17 9.385 3.573 -7.040 1.00 0.00 C ATOM 0 H VAL A 17 6.758 3.289 -6.425 1.00 0.00 H new ATOM 0 HA VAL A 17 8.753 3.627 -4.423 1.00 0.00 H new ATOM 0 HB VAL A 17 8.023 5.208 -6.878 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.315 6.114 -6.735 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.322 6.586 -5.336 1.00 0.00 H new ATOM 0 HG13 VAL A 17 10.534 5.293 -5.172 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.902 3.980 -7.909 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.097 3.038 -6.412 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.605 2.887 -7.370 1.00 0.00 H new ATOM 192 N ARG A 18 6.425 5.944 -4.613 1.00 0.00 N ATOM 193 CA ARG A 18 5.796 7.025 -3.873 1.00 0.00 C ATOM 194 C ARG A 18 5.355 6.535 -2.492 1.00 0.00 C ATOM 195 O ARG A 18 5.761 7.091 -1.473 1.00 0.00 O ATOM 196 CB ARG A 18 4.581 7.572 -4.624 1.00 0.00 C ATOM 197 CG ARG A 18 4.016 8.811 -3.926 1.00 0.00 C ATOM 198 CD ARG A 18 2.798 9.356 -4.674 1.00 0.00 C ATOM 199 NE ARG A 18 2.872 10.831 -4.756 1.00 0.00 N ATOM 200 CZ ARG A 18 1.854 11.615 -5.138 1.00 0.00 C ATOM 201 NH1 ARG A 18 0.678 11.067 -5.475 1.00 0.00 N ATOM 202 NH2 ARG A 18 2.012 12.944 -5.183 1.00 0.00 N ATOM 0 H ARG A 18 6.003 5.746 -5.520 1.00 0.00 H new ATOM 0 HA ARG A 18 6.530 7.823 -3.763 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.864 7.824 -5.646 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.811 6.803 -4.686 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.736 8.560 -2.903 1.00 0.00 H new ATOM 0 HG3 ARG A 18 4.785 9.581 -3.866 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.756 8.930 -5.676 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.883 9.058 -4.162 1.00 0.00 H new ATOM 0 HE ARG A 18 3.753 11.280 -4.506 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.559 10.055 -5.441 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.097 11.662 -5.766 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.907 13.360 -4.927 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.237 13.540 -5.474 1.00 0.00 H new ATOM 213 N PHE A 19 4.527 5.501 -2.503 1.00 0.00 N ATOM 214 CA PHE A 19 4.026 4.930 -1.264 1.00 0.00 C ATOM 215 C PHE A 19 4.839 3.699 -0.858 1.00 0.00 C ATOM 216 O PHE A 19 4.287 2.611 -0.699 1.00 0.00 O ATOM 217 CB PHE A 19 2.577 4.508 -1.520 1.00 0.00 C ATOM 218 CG PHE A 19 1.778 5.506 -2.360 1.00 0.00 C ATOM 219 CD1 PHE A 19 1.471 6.730 -1.854 1.00 0.00 C ATOM 220 CD2 PHE A 19 1.374 5.168 -3.614 1.00 0.00 C ATOM 221 CE1 PHE A 19 0.729 7.655 -2.635 1.00 0.00 C ATOM 222 CE2 PHE A 19 0.632 6.093 -4.395 1.00 0.00 C ATOM 223 CZ PHE A 19 0.325 7.318 -3.888 1.00 0.00 C ATOM 0 H PHE A 19 4.190 5.044 -3.350 1.00 0.00 H new ATOM 0 HA PHE A 19 4.101 5.662 -0.460 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.574 3.541 -2.023 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.075 4.370 -0.562 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.791 6.999 -0.858 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.618 4.196 -4.016 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.485 8.627 -2.233 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.311 5.825 -5.391 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.240 8.022 -4.481 1.00 0.00 H new ATOM 232 N SER A 20 6.137 3.912 -0.703 1.00 0.00 N ATOM 233 CA SER A 20 7.032 2.834 -0.320 1.00 0.00 C ATOM 234 C SER A 20 7.136 2.757 1.205 1.00 0.00 C ATOM 235 O SER A 20 6.880 1.710 1.796 1.00 0.00 O ATOM 236 CB SER A 20 8.419 3.023 -0.937 1.00 0.00 C ATOM 237 OG SER A 20 8.768 4.399 -1.054 1.00 0.00 O ATOM 0 H SER A 20 6.591 4.816 -0.836 1.00 0.00 H new ATOM 0 HA SER A 20 6.621 1.898 -0.698 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.161 2.512 -0.324 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.444 2.558 -1.922 1.00 0.00 H new ATOM 0 HG SER A 20 8.706 4.673 -1.993 1.00 0.00 H new ATOM 242 N LYS A 21 7.511 3.881 1.797 1.00 0.00 N ATOM 243 CA LYS A 21 7.653 3.955 3.242 1.00 0.00 C ATOM 244 C LYS A 21 6.497 3.198 3.902 1.00 0.00 C ATOM 245 O LYS A 21 6.675 2.579 4.950 1.00 0.00 O ATOM 246 CB LYS A 21 7.772 5.410 3.696 1.00 0.00 C ATOM 247 CG LYS A 21 9.191 5.720 4.176 1.00 0.00 C ATOM 248 CD LYS A 21 9.175 6.735 5.320 1.00 0.00 C ATOM 249 CE LYS A 21 9.474 6.057 6.659 1.00 0.00 C ATOM 250 NZ LYS A 21 8.314 6.173 7.570 1.00 0.00 N ATOM 0 H LYS A 21 7.721 4.748 1.303 1.00 0.00 H new ATOM 0 HA LYS A 21 8.576 3.470 3.559 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.510 6.074 2.873 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.062 5.603 4.500 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.675 4.801 4.507 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.782 6.111 3.347 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.913 7.514 5.130 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.201 7.223 5.365 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.712 5.006 6.496 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.351 6.515 7.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.534 5.708 8.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.105 7.178 7.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.486 5.715 7.138 1.00 0.00 H new ATOM 260 N GLU A 22 5.340 3.274 3.261 1.00 0.00 N ATOM 261 CA GLU A 22 4.156 2.604 3.772 1.00 0.00 C ATOM 262 C GLU A 22 4.261 1.094 3.547 1.00 0.00 C ATOM 263 O GLU A 22 4.234 0.317 4.499 1.00 0.00 O ATOM 264 CB GLU A 22 2.887 3.167 3.130 1.00 0.00 C ATOM 265 CG GLU A 22 2.695 4.640 3.497 1.00 0.00 C ATOM 266 CD GLU A 22 2.942 5.543 2.287 1.00 0.00 C ATOM 267 OE1 GLU A 22 2.123 5.467 1.346 1.00 0.00 O ATOM 268 OE2 GLU A 22 3.944 6.289 2.331 1.00 0.00 O ATOM 0 H GLU A 22 5.197 3.789 2.392 1.00 0.00 H new ATOM 0 HA GLU A 22 4.093 2.788 4.845 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.946 3.063 2.047 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.022 2.591 3.459 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.683 4.796 3.871 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.378 4.910 4.302 1.00 0.00 H new ATOM 273 N MET A 23 4.379 0.724 2.280 1.00 0.00 N ATOM 274 CA MET A 23 4.488 -0.679 1.917 1.00 0.00 C ATOM 275 C MET A 23 5.421 -1.422 2.875 1.00 0.00 C ATOM 276 O MET A 23 5.142 -2.555 3.265 1.00 0.00 O ATOM 277 CB MET A 23 5.024 -0.797 0.489 1.00 0.00 C ATOM 278 CG MET A 23 3.935 -0.470 -0.535 1.00 0.00 C ATOM 279 SD MET A 23 2.561 -1.593 -0.343 1.00 0.00 S ATOM 280 CE MET A 23 2.975 -2.802 -1.589 1.00 0.00 C ATOM 0 H MET A 23 4.402 1.371 1.492 1.00 0.00 H new ATOM 0 HA MET A 23 3.498 -1.129 1.981 1.00 0.00 H new ATOM 0 HB2 MET A 23 5.868 -0.120 0.356 1.00 0.00 H new ATOM 0 HB3 MET A 23 5.396 -1.807 0.319 1.00 0.00 H new ATOM 0 HG2 MET A 23 3.597 0.558 -0.403 1.00 0.00 H new ATOM 0 HG3 MET A 23 4.339 -0.545 -1.545 1.00 0.00 H new ATOM 0 HE1 MET A 23 2.065 -3.140 -2.084 1.00 0.00 H new ATOM 0 HE2 MET A 23 3.643 -2.353 -2.324 1.00 0.00 H new ATOM 0 HE3 MET A 23 3.471 -3.652 -1.120 1.00 0.00 H new ATOM 288 N GLU A 24 6.509 -0.754 3.228 1.00 0.00 N ATOM 289 CA GLU A 24 7.484 -1.337 4.134 1.00 0.00 C ATOM 290 C GLU A 24 6.864 -1.553 5.515 1.00 0.00 C ATOM 291 O GLU A 24 7.067 -2.596 6.136 1.00 0.00 O ATOM 292 CB GLU A 24 8.737 -0.464 4.227 1.00 0.00 C ATOM 293 CG GLU A 24 9.901 -1.090 3.457 1.00 0.00 C ATOM 294 CD GLU A 24 11.208 -0.967 4.242 1.00 0.00 C ATOM 295 OE1 GLU A 24 11.156 -1.195 5.469 1.00 0.00 O ATOM 296 OE2 GLU A 24 12.230 -0.647 3.596 1.00 0.00 O ATOM 0 H GLU A 24 6.737 0.186 2.903 1.00 0.00 H new ATOM 0 HA GLU A 24 7.785 -2.306 3.737 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.524 0.528 3.828 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.017 -0.333 5.272 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.688 -2.141 3.261 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.007 -0.600 2.489 1.00 0.00 H new ATOM 301 N CYS A 25 6.118 -0.550 5.958 1.00 0.00 N ATOM 302 CA CYS A 25 5.466 -0.618 7.255 1.00 0.00 C ATOM 303 C CYS A 25 4.390 -1.704 7.195 1.00 0.00 C ATOM 304 O CYS A 25 4.291 -2.535 8.097 1.00 0.00 O ATOM 305 CB CYS A 25 4.888 0.737 7.668 1.00 0.00 C ATOM 306 SG CYS A 25 5.350 1.113 9.398 1.00 0.00 S ATOM 0 H CYS A 25 5.951 0.314 5.442 1.00 0.00 H new ATOM 0 HA CYS A 25 6.198 -0.876 8.021 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.261 1.518 7.005 1.00 0.00 H new ATOM 0 HB3 CYS A 25 3.803 0.725 7.567 1.00 0.00 H new ATOM 0 HG CYS A 25 4.856 2.267 9.738 1.00 0.00 H new ATOM 311 N LEU A 26 3.610 -1.662 6.124 1.00 0.00 N ATOM 312 CA LEU A 26 2.544 -2.632 5.935 1.00 0.00 C ATOM 313 C LEU A 26 3.107 -4.042 6.124 1.00 0.00 C ATOM 314 O LEU A 26 2.593 -4.816 6.930 1.00 0.00 O ATOM 315 CB LEU A 26 1.859 -2.418 4.585 1.00 0.00 C ATOM 316 CG LEU A 26 1.016 -1.148 4.454 1.00 0.00 C ATOM 317 CD1 LEU A 26 0.488 -0.985 3.028 1.00 0.00 C ATOM 318 CD2 LEU A 26 -0.111 -1.129 5.488 1.00 0.00 C ATOM 0 H LEU A 26 3.695 -0.971 5.378 1.00 0.00 H new ATOM 0 HA LEU A 26 1.765 -2.496 6.685 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.625 -2.403 3.810 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.219 -3.277 4.385 1.00 0.00 H new ATOM 0 HG LEU A 26 1.656 -0.290 4.660 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.108 -0.075 2.962 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.327 -0.921 2.335 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.132 -1.844 2.769 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.695 -0.216 5.373 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.757 -1.994 5.338 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.315 -1.164 6.491 1.00 0.00 H new ATOM 329 N GLN A 27 4.153 -4.335 5.365 1.00 0.00 N ATOM 330 CA GLN A 27 4.789 -5.638 5.439 1.00 0.00 C ATOM 331 C GLN A 27 5.065 -6.014 6.896 1.00 0.00 C ATOM 332 O GLN A 27 4.611 -7.055 7.369 1.00 0.00 O ATOM 333 CB GLN A 27 6.078 -5.667 4.613 1.00 0.00 C ATOM 334 CG GLN A 27 5.985 -6.701 3.489 1.00 0.00 C ATOM 335 CD GLN A 27 6.695 -8.000 3.879 1.00 0.00 C ATOM 336 OE1 GLN A 27 6.349 -8.661 4.844 1.00 0.00 O ATOM 337 NE2 GLN A 27 7.703 -8.327 3.077 1.00 0.00 N ATOM 0 H GLN A 27 4.575 -3.692 4.696 1.00 0.00 H new ATOM 0 HA GLN A 27 4.107 -6.376 5.017 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.265 -4.680 4.190 1.00 0.00 H new ATOM 0 HB3 GLN A 27 6.923 -5.902 5.260 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.938 -6.907 3.265 1.00 0.00 H new ATOM 0 HG3 GLN A 27 6.431 -6.297 2.580 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.940 -7.728 2.286 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.240 -9.177 3.253 1.00 0.00 H new ATOM 344 N ALA A 28 5.805 -5.144 7.569 1.00 0.00 N ATOM 345 CA ALA A 28 6.147 -5.372 8.962 1.00 0.00 C ATOM 346 C ALA A 28 4.907 -5.863 9.713 1.00 0.00 C ATOM 347 O ALA A 28 4.964 -6.866 10.422 1.00 0.00 O ATOM 348 CB ALA A 28 6.721 -4.088 9.564 1.00 0.00 C ATOM 0 H ALA A 28 6.177 -4.280 7.175 1.00 0.00 H new ATOM 0 HA ALA A 28 6.912 -6.143 9.048 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.978 -4.259 10.609 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.616 -3.797 9.014 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.979 -3.292 9.498 1.00 0.00 H new ATOM 354 N MET A 29 3.816 -5.134 9.530 1.00 0.00 N ATOM 355 CA MET A 29 2.565 -5.482 10.181 1.00 0.00 C ATOM 356 C MET A 29 2.135 -6.905 9.814 1.00 0.00 C ATOM 357 O MET A 29 1.554 -7.612 10.636 1.00 0.00 O ATOM 358 CB MET A 29 1.476 -4.495 9.757 1.00 0.00 C ATOM 359 CG MET A 29 1.271 -3.415 10.821 1.00 0.00 C ATOM 360 SD MET A 29 -0.472 -3.196 11.141 1.00 0.00 S ATOM 361 CE MET A 29 -0.702 -1.552 10.487 1.00 0.00 C ATOM 0 H MET A 29 3.773 -4.303 8.940 1.00 0.00 H new ATOM 0 HA MET A 29 2.712 -5.432 11.260 1.00 0.00 H new ATOM 0 HB2 MET A 29 1.750 -4.030 8.810 1.00 0.00 H new ATOM 0 HB3 MET A 29 0.541 -5.029 9.591 1.00 0.00 H new ATOM 0 HG2 MET A 29 1.785 -3.696 11.740 1.00 0.00 H new ATOM 0 HG3 MET A 29 1.709 -2.475 10.486 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.744 -1.255 10.607 1.00 0.00 H new ATOM 0 HE2 MET A 29 -0.062 -0.853 11.025 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.441 -1.542 9.429 1.00 0.00 H new ATOM 369 N GLY A 30 2.436 -7.281 8.581 1.00 0.00 N ATOM 370 CA GLY A 30 2.088 -8.606 8.096 1.00 0.00 C ATOM 371 C GLY A 30 1.482 -8.535 6.693 1.00 0.00 C ATOM 372 O GLY A 30 1.388 -9.547 6.001 1.00 0.00 O ATOM 0 H GLY A 30 2.917 -6.691 7.902 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.977 -9.236 8.080 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.378 -9.072 8.779 1.00 0.00 H new ATOM 376 N PHE A 31 1.085 -7.328 6.315 1.00 0.00 N ATOM 377 CA PHE A 31 0.490 -7.112 5.008 1.00 0.00 C ATOM 378 C PHE A 31 1.515 -7.335 3.894 1.00 0.00 C ATOM 379 O PHE A 31 2.010 -6.380 3.300 1.00 0.00 O ATOM 380 CB PHE A 31 0.019 -5.657 4.967 1.00 0.00 C ATOM 381 CG PHE A 31 -1.216 -5.377 5.825 1.00 0.00 C ATOM 382 CD1 PHE A 31 -2.425 -5.885 5.464 1.00 0.00 C ATOM 383 CD2 PHE A 31 -1.105 -4.621 6.950 1.00 0.00 C ATOM 384 CE1 PHE A 31 -3.571 -5.625 6.260 1.00 0.00 C ATOM 385 CE2 PHE A 31 -2.252 -4.361 7.746 1.00 0.00 C ATOM 386 CZ PHE A 31 -3.461 -4.869 7.385 1.00 0.00 C ATOM 0 H PHE A 31 1.164 -6.490 6.892 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.332 -7.811 4.853 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.833 -5.013 5.300 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.200 -5.386 3.934 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.513 -6.486 4.571 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.145 -4.219 7.238 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.531 -6.028 5.972 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -2.164 -3.759 8.639 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.333 -4.672 7.991 1.00 0.00 H new ATOM 395 N VAL A 32 1.804 -8.605 3.646 1.00 0.00 N ATOM 396 CA VAL A 32 2.761 -8.967 2.615 1.00 0.00 C ATOM 397 C VAL A 32 2.144 -8.708 1.240 1.00 0.00 C ATOM 398 O VAL A 32 2.860 -8.440 0.275 1.00 0.00 O ATOM 399 CB VAL A 32 3.212 -10.416 2.805 1.00 0.00 C ATOM 400 CG1 VAL A 32 3.861 -10.614 4.176 1.00 0.00 C ATOM 401 CG2 VAL A 32 2.043 -11.384 2.607 1.00 0.00 C ATOM 0 H VAL A 32 1.392 -9.395 4.142 1.00 0.00 H new ATOM 0 HA VAL A 32 3.656 -8.350 2.691 1.00 0.00 H new ATOM 0 HB VAL A 32 3.962 -10.635 2.045 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.172 -11.653 4.285 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.731 -9.963 4.264 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.143 -10.367 4.958 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.390 -12.408 2.748 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.261 -11.163 3.333 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.644 -11.271 1.599 1.00 0.00 H new ATOM 411 N ASN A 33 0.823 -8.795 1.192 1.00 0.00 N ATOM 412 CA ASN A 33 0.102 -8.574 -0.050 1.00 0.00 C ATOM 413 C ASN A 33 0.514 -7.223 -0.639 1.00 0.00 C ATOM 414 O ASN A 33 -0.085 -6.196 -0.324 1.00 0.00 O ATOM 415 CB ASN A 33 -1.409 -8.546 0.188 1.00 0.00 C ATOM 416 CG ASN A 33 -1.879 -9.826 0.881 1.00 0.00 C ATOM 417 OD1 ASN A 33 -1.484 -10.143 1.991 1.00 0.00 O ATOM 418 ND2 ASN A 33 -2.742 -10.542 0.166 1.00 0.00 N ATOM 0 H ASN A 33 0.233 -9.016 1.994 1.00 0.00 H new ATOM 0 HA ASN A 33 0.344 -9.390 -0.731 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.668 -7.681 0.799 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.928 -8.432 -0.763 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -3.115 -11.414 0.541 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -3.031 -10.219 -0.757 1.00 0.00 H new ATOM 424 N TYR A 34 1.533 -7.268 -1.485 1.00 0.00 N ATOM 425 CA TYR A 34 2.031 -6.061 -2.121 1.00 0.00 C ATOM 426 C TYR A 34 1.041 -5.542 -3.166 1.00 0.00 C ATOM 427 O TYR A 34 0.484 -4.456 -3.014 1.00 0.00 O ATOM 428 CB TYR A 34 3.332 -6.459 -2.822 1.00 0.00 C ATOM 429 CG TYR A 34 4.063 -5.291 -3.486 1.00 0.00 C ATOM 430 CD1 TYR A 34 4.879 -4.471 -2.734 1.00 0.00 C ATOM 431 CD2 TYR A 34 3.907 -5.058 -4.837 1.00 0.00 C ATOM 432 CE1 TYR A 34 5.568 -3.373 -3.359 1.00 0.00 C ATOM 433 CE2 TYR A 34 4.597 -3.959 -5.463 1.00 0.00 C ATOM 434 CZ TYR A 34 5.393 -3.170 -4.692 1.00 0.00 C ATOM 435 OH TYR A 34 6.044 -2.132 -5.283 1.00 0.00 O ATOM 0 H TYR A 34 2.027 -8.122 -1.744 1.00 0.00 H new ATOM 0 HA TYR A 34 2.178 -5.272 -1.383 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.997 -6.924 -2.094 1.00 0.00 H new ATOM 0 HB3 TYR A 34 3.110 -7.212 -3.578 1.00 0.00 H new ATOM 0 HD1 TYR A 34 5.001 -4.653 -1.676 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.268 -5.700 -5.425 1.00 0.00 H new ATOM 0 HE1 TYR A 34 6.210 -2.724 -2.782 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.485 -3.766 -6.520 1.00 0.00 H new ATOM 0 HH TYR A 34 6.024 -2.245 -6.256 1.00 0.00 H new ATOM 444 N ASN A 35 0.850 -6.345 -4.204 1.00 0.00 N ATOM 445 CA ASN A 35 -0.063 -5.981 -5.273 1.00 0.00 C ATOM 446 C ASN A 35 -1.332 -5.374 -4.670 1.00 0.00 C ATOM 447 O ASN A 35 -1.854 -4.384 -5.181 1.00 0.00 O ATOM 448 CB ASN A 35 -0.470 -7.208 -6.091 1.00 0.00 C ATOM 449 CG ASN A 35 0.671 -7.659 -7.005 1.00 0.00 C ATOM 450 OD1 ASN A 35 1.833 -7.357 -6.787 1.00 0.00 O ATOM 451 ND2 ASN A 35 0.276 -8.397 -8.040 1.00 0.00 N ATOM 0 H ASN A 35 1.312 -7.246 -4.326 1.00 0.00 H new ATOM 0 HA ASN A 35 0.445 -5.267 -5.921 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.747 -8.021 -5.420 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.350 -6.975 -6.690 1.00 0.00 H new ATOM 0 HD21 ASN A 35 0.962 -8.746 -8.709 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -0.713 -8.613 -8.164 1.00 0.00 H new ATOM 457 N ALA A 36 -1.790 -5.991 -3.590 1.00 0.00 N ATOM 458 CA ALA A 36 -2.988 -5.525 -2.912 1.00 0.00 C ATOM 459 C ALA A 36 -2.698 -4.179 -2.245 1.00 0.00 C ATOM 460 O ALA A 36 -3.261 -3.155 -2.632 1.00 0.00 O ATOM 461 CB ALA A 36 -3.453 -6.584 -1.912 1.00 0.00 C ATOM 0 H ALA A 36 -1.353 -6.810 -3.168 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.799 -5.372 -3.624 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.352 -6.235 -1.403 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.673 -7.512 -2.440 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.667 -6.762 -1.178 1.00 0.00 H new ATOM 467 N ASN A 37 -1.821 -4.223 -1.252 1.00 0.00 N ATOM 468 CA ASN A 37 -1.450 -3.020 -0.528 1.00 0.00 C ATOM 469 C ASN A 37 -1.298 -1.861 -1.515 1.00 0.00 C ATOM 470 O ASN A 37 -1.983 -0.846 -1.396 1.00 0.00 O ATOM 471 CB ASN A 37 -0.115 -3.203 0.197 1.00 0.00 C ATOM 472 CG ASN A 37 -0.245 -4.208 1.342 1.00 0.00 C ATOM 473 OD1 ASN A 37 -1.289 -4.358 1.956 1.00 0.00 O ATOM 474 ND2 ASN A 37 0.870 -4.888 1.596 1.00 0.00 N ATOM 0 H ASN A 37 -1.357 -5.073 -0.932 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.232 -2.812 0.203 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.642 -3.546 -0.508 1.00 0.00 H new ATOM 0 HB3 ASN A 37 0.225 -2.244 0.587 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.885 -5.583 2.342 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.710 -4.714 1.044 1.00 0.00 H new ATOM 480 N LEU A 38 -0.397 -2.051 -2.466 1.00 0.00 N ATOM 481 CA LEU A 38 -0.146 -1.035 -3.474 1.00 0.00 C ATOM 482 C LEU A 38 -1.475 -0.411 -3.905 1.00 0.00 C ATOM 483 O LEU A 38 -1.722 0.767 -3.653 1.00 0.00 O ATOM 484 CB LEU A 38 0.664 -1.618 -4.634 1.00 0.00 C ATOM 485 CG LEU A 38 1.786 -0.731 -5.180 1.00 0.00 C ATOM 486 CD1 LEU A 38 2.357 -1.307 -6.478 1.00 0.00 C ATOM 487 CD2 LEU A 38 1.308 0.711 -5.356 1.00 0.00 C ATOM 0 H LEU A 38 0.169 -2.894 -2.560 1.00 0.00 H new ATOM 0 HA LEU A 38 0.465 -0.232 -3.061 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.100 -2.562 -4.308 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.021 -1.848 -5.450 1.00 0.00 H new ATOM 0 HG LEU A 38 2.595 -0.716 -4.450 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.152 -0.658 -6.845 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.759 -2.302 -6.289 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.567 -1.371 -7.226 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.124 1.320 -5.745 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.472 0.735 -6.055 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.986 1.108 -4.393 1.00 0.00 H new ATOM 498 N GLN A 39 -2.296 -1.230 -4.546 1.00 0.00 N ATOM 499 CA GLN A 39 -3.593 -0.773 -5.014 1.00 0.00 C ATOM 500 C GLN A 39 -4.289 0.053 -3.930 1.00 0.00 C ATOM 501 O GLN A 39 -4.816 1.130 -4.206 1.00 0.00 O ATOM 502 CB GLN A 39 -4.466 -1.952 -5.448 1.00 0.00 C ATOM 503 CG GLN A 39 -3.934 -2.582 -6.738 1.00 0.00 C ATOM 504 CD GLN A 39 -5.079 -2.930 -7.690 1.00 0.00 C ATOM 505 OE1 GLN A 39 -5.949 -2.124 -7.977 1.00 0.00 O ATOM 506 NE2 GLN A 39 -5.029 -4.172 -8.164 1.00 0.00 N ATOM 0 H GLN A 39 -2.088 -2.207 -4.752 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.438 -0.137 -5.885 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.491 -2.701 -4.657 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.491 -1.614 -5.600 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.246 -1.892 -7.227 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.367 -3.482 -6.501 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -4.272 -4.795 -7.882 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -5.747 -4.501 -8.809 1.00 0.00 H new ATOM 513 N ALA A 40 -4.266 -0.482 -2.718 1.00 0.00 N ATOM 514 CA ALA A 40 -4.887 0.191 -1.590 1.00 0.00 C ATOM 515 C ALA A 40 -4.264 1.578 -1.424 1.00 0.00 C ATOM 516 O ALA A 40 -4.972 2.585 -1.424 1.00 0.00 O ATOM 517 CB ALA A 40 -4.737 -0.669 -0.334 1.00 0.00 C ATOM 0 H ALA A 40 -3.827 -1.375 -2.493 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.954 0.327 -1.765 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.203 -0.163 0.511 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.222 -1.632 -0.493 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.679 -0.826 -0.124 1.00 0.00 H new ATOM 523 N LEU A 41 -2.946 1.587 -1.286 1.00 0.00 N ATOM 524 CA LEU A 41 -2.219 2.835 -1.119 1.00 0.00 C ATOM 525 C LEU A 41 -2.707 3.846 -2.159 1.00 0.00 C ATOM 526 O LEU A 41 -3.246 4.894 -1.805 1.00 0.00 O ATOM 527 CB LEU A 41 -0.711 2.586 -1.163 1.00 0.00 C ATOM 528 CG LEU A 41 -0.085 2.031 0.118 1.00 0.00 C ATOM 529 CD1 LEU A 41 1.299 1.442 -0.159 1.00 0.00 C ATOM 530 CD2 LEU A 41 -0.046 3.096 1.215 1.00 0.00 C ATOM 0 H LEU A 41 -2.363 0.750 -1.286 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.419 3.265 -0.137 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.501 1.892 -1.977 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.215 3.525 -1.409 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.714 1.218 0.481 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.722 1.055 0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.212 0.633 -0.884 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.951 2.218 -0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.404 2.675 2.115 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.547 3.946 0.876 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.061 3.427 1.437 1.00 0.00 H new ATOM 541 N ILE A 42 -2.498 3.498 -3.420 1.00 0.00 N ATOM 542 CA ILE A 42 -2.909 4.363 -4.513 1.00 0.00 C ATOM 543 C ILE A 42 -4.355 4.810 -4.288 1.00 0.00 C ATOM 544 O ILE A 42 -4.686 5.977 -4.488 1.00 0.00 O ATOM 545 CB ILE A 42 -2.682 3.670 -5.858 1.00 0.00 C ATOM 546 CG1 ILE A 42 -1.192 3.418 -6.100 1.00 0.00 C ATOM 547 CG2 ILE A 42 -3.322 4.464 -6.999 1.00 0.00 C ATOM 548 CD1 ILE A 42 -0.982 2.438 -7.256 1.00 0.00 C ATOM 0 H ILE A 42 -2.049 2.629 -3.709 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.296 5.264 -4.537 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.173 2.697 -5.828 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.692 4.361 -6.322 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.735 3.020 -5.194 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.146 3.950 -7.944 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.395 4.549 -6.826 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.882 5.460 -7.041 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.085 2.277 -7.407 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.463 1.489 -7.020 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.419 2.850 -8.166 1.00 0.00 H new ATOM 559 N ALA A 43 -5.178 3.857 -3.875 1.00 0.00 N ATOM 560 CA ALA A 43 -6.580 4.138 -3.621 1.00 0.00 C ATOM 561 C ALA A 43 -6.693 5.202 -2.527 1.00 0.00 C ATOM 562 O ALA A 43 -7.632 5.997 -2.524 1.00 0.00 O ATOM 563 CB ALA A 43 -7.302 2.841 -3.249 1.00 0.00 C ATOM 0 H ALA A 43 -4.900 2.890 -3.710 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.060 4.533 -4.516 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.354 3.052 -3.058 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.218 2.129 -4.070 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.849 2.417 -2.353 1.00 0.00 H new ATOM 569 N THR A 44 -5.723 5.181 -1.625 1.00 0.00 N ATOM 570 CA THR A 44 -5.701 6.135 -0.528 1.00 0.00 C ATOM 571 C THR A 44 -4.600 7.175 -0.748 1.00 0.00 C ATOM 572 O THR A 44 -4.223 7.888 0.180 1.00 0.00 O ATOM 573 CB THR A 44 -5.546 5.351 0.776 1.00 0.00 C ATOM 574 OG1 THR A 44 -4.282 4.706 0.645 1.00 0.00 O ATOM 575 CG2 THR A 44 -6.544 4.197 0.888 1.00 0.00 C ATOM 0 H THR A 44 -4.947 4.519 -1.631 1.00 0.00 H new ATOM 0 HA THR A 44 -6.632 6.700 -0.475 1.00 0.00 H new ATOM 0 HB THR A 44 -5.675 6.025 1.622 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.861 4.979 -0.197 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.391 3.674 1.832 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.560 4.590 0.852 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.393 3.504 0.060 1.00 0.00 H new ATOM 583 N ASP A 45 -4.116 7.226 -1.979 1.00 0.00 N ATOM 584 CA ASP A 45 -3.065 8.167 -2.331 1.00 0.00 C ATOM 585 C ASP A 45 -2.048 8.239 -1.191 1.00 0.00 C ATOM 586 O ASP A 45 -1.745 9.321 -0.692 1.00 0.00 O ATOM 587 CB ASP A 45 -3.634 9.571 -2.548 1.00 0.00 C ATOM 588 CG ASP A 45 -2.772 10.490 -3.416 1.00 0.00 C ATOM 589 OD1 ASP A 45 -1.620 10.092 -3.694 1.00 0.00 O ATOM 590 OD2 ASP A 45 -3.285 11.569 -3.782 1.00 0.00 O ATOM 0 H ASP A 45 -4.431 6.632 -2.746 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.597 7.821 -3.253 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.619 9.481 -3.007 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.777 10.043 -1.576 1.00 0.00 H new ATOM 594 N GLY A 46 -1.547 7.071 -0.813 1.00 0.00 N ATOM 595 CA GLY A 46 -0.570 6.989 0.259 1.00 0.00 C ATOM 596 C GLY A 46 -1.232 7.197 1.622 1.00 0.00 C ATOM 597 O GLY A 46 -1.233 8.306 2.153 1.00 0.00 O ATOM 0 H GLY A 46 -1.800 6.175 -1.230 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.079 6.016 0.234 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.204 7.741 0.108 1.00 0.00 H new ATOM 601 N ASP A 47 -1.781 6.111 2.150 1.00 0.00 N ATOM 602 CA ASP A 47 -2.445 6.161 3.441 1.00 0.00 C ATOM 603 C ASP A 47 -2.530 4.748 4.021 1.00 0.00 C ATOM 604 O ASP A 47 -3.208 3.885 3.465 1.00 0.00 O ATOM 605 CB ASP A 47 -3.869 6.704 3.308 1.00 0.00 C ATOM 606 CG ASP A 47 -4.217 7.849 4.260 1.00 0.00 C ATOM 607 OD1 ASP A 47 -3.378 8.768 4.372 1.00 0.00 O ATOM 608 OD2 ASP A 47 -5.314 7.779 4.855 1.00 0.00 O ATOM 0 H ASP A 47 -1.779 5.192 1.707 1.00 0.00 H new ATOM 0 HA ASP A 47 -1.868 6.818 4.091 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.017 7.046 2.284 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.570 5.887 3.476 1.00 0.00 H new ATOM 612 N THR A 48 -1.832 4.555 5.130 1.00 0.00 N ATOM 613 CA THR A 48 -1.820 3.261 5.790 1.00 0.00 C ATOM 614 C THR A 48 -3.172 2.987 6.452 1.00 0.00 C ATOM 615 O THR A 48 -3.844 2.011 6.119 1.00 0.00 O ATOM 616 CB THR A 48 -0.649 3.244 6.775 1.00 0.00 C ATOM 617 OG1 THR A 48 -0.730 4.504 7.433 1.00 0.00 O ATOM 618 CG2 THR A 48 0.709 3.278 6.070 1.00 0.00 C ATOM 0 H THR A 48 -1.271 5.273 5.588 1.00 0.00 H new ATOM 0 HA THR A 48 -1.674 2.453 5.073 1.00 0.00 H new ATOM 0 HB THR A 48 -0.712 2.352 7.399 1.00 0.00 H new ATOM 0 HG1 THR A 48 -0.007 4.576 8.091 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.506 3.264 6.814 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.804 2.408 5.421 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.786 4.186 5.473 1.00 0.00 H new ATOM 626 N ASN A 49 -3.532 3.865 7.376 1.00 0.00 N ATOM 627 CA ASN A 49 -4.793 3.730 8.086 1.00 0.00 C ATOM 628 C ASN A 49 -5.887 3.315 7.101 1.00 0.00 C ATOM 629 O ASN A 49 -6.413 2.206 7.183 1.00 0.00 O ATOM 630 CB ASN A 49 -5.210 5.056 8.725 1.00 0.00 C ATOM 631 CG ASN A 49 -5.859 4.827 10.091 1.00 0.00 C ATOM 632 OD1 ASN A 49 -5.282 5.086 11.134 1.00 0.00 O ATOM 633 ND2 ASN A 49 -7.090 4.327 10.027 1.00 0.00 N ATOM 0 H ASN A 49 -2.973 4.673 7.650 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.662 2.979 8.865 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.338 5.700 8.836 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.908 5.576 8.069 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -7.609 4.138 10.885 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.515 4.133 9.120 1.00 0.00 H new ATOM 639 N ALA A 50 -6.197 4.227 6.191 1.00 0.00 N ATOM 640 CA ALA A 50 -7.218 3.970 5.191 1.00 0.00 C ATOM 641 C ALA A 50 -6.928 2.635 4.503 1.00 0.00 C ATOM 642 O ALA A 50 -7.793 1.762 4.443 1.00 0.00 O ATOM 643 CB ALA A 50 -7.271 5.135 4.202 1.00 0.00 C ATOM 0 H ALA A 50 -5.758 5.145 6.126 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.200 3.894 5.658 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.038 4.941 3.452 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.510 6.055 4.736 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.303 5.241 3.712 1.00 0.00 H new ATOM 649 N ALA A 51 -5.707 2.517 4.002 1.00 0.00 N ATOM 650 CA ALA A 51 -5.292 1.302 3.321 1.00 0.00 C ATOM 651 C ALA A 51 -5.709 0.088 4.154 1.00 0.00 C ATOM 652 O ALA A 51 -6.384 -0.810 3.652 1.00 0.00 O ATOM 653 CB ALA A 51 -3.783 1.346 3.072 1.00 0.00 C ATOM 0 H ALA A 51 -4.992 3.242 4.054 1.00 0.00 H new ATOM 0 HA ALA A 51 -5.781 1.220 2.350 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.472 0.435 2.561 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.541 2.210 2.453 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.259 1.425 4.025 1.00 0.00 H new ATOM 659 N ILE A 52 -5.291 0.100 5.411 1.00 0.00 N ATOM 660 CA ILE A 52 -5.613 -0.989 6.318 1.00 0.00 C ATOM 661 C ILE A 52 -7.131 -1.174 6.366 1.00 0.00 C ATOM 662 O ILE A 52 -7.644 -2.230 5.998 1.00 0.00 O ATOM 663 CB ILE A 52 -4.978 -0.751 7.689 1.00 0.00 C ATOM 664 CG1 ILE A 52 -3.451 -0.745 7.591 1.00 0.00 C ATOM 665 CG2 ILE A 52 -5.483 -1.770 8.711 1.00 0.00 C ATOM 666 CD1 ILE A 52 -2.865 0.510 8.242 1.00 0.00 C ATOM 0 H ILE A 52 -4.732 0.847 5.823 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.189 -1.925 5.955 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.282 0.235 8.041 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.048 -1.633 8.078 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.150 -0.791 6.544 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.016 -1.578 9.677 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.565 -1.683 8.807 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.228 -2.776 8.378 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.778 0.490 8.159 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.251 1.396 7.737 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.148 0.540 9.294 1.00 0.00 H new ATOM 677 N TYR A 53 -7.808 -0.130 6.825 1.00 0.00 N ATOM 678 CA TYR A 53 -9.257 -0.165 6.928 1.00 0.00 C ATOM 679 C TYR A 53 -9.876 -0.866 5.716 1.00 0.00 C ATOM 680 O TYR A 53 -10.721 -1.746 5.869 1.00 0.00 O ATOM 681 CB TYR A 53 -9.713 1.296 6.944 1.00 0.00 C ATOM 682 CG TYR A 53 -11.218 1.475 7.153 1.00 0.00 C ATOM 683 CD1 TYR A 53 -11.798 1.097 8.346 1.00 0.00 C ATOM 684 CD2 TYR A 53 -11.994 2.016 6.148 1.00 0.00 C ATOM 685 CE1 TYR A 53 -13.215 1.267 8.543 1.00 0.00 C ATOM 686 CE2 TYR A 53 -13.410 2.185 6.345 1.00 0.00 C ATOM 687 CZ TYR A 53 -13.951 1.803 7.533 1.00 0.00 C ATOM 688 OH TYR A 53 -15.289 1.961 7.719 1.00 0.00 O ATOM 0 H TYR A 53 -7.380 0.744 7.129 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.566 -0.710 7.820 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -9.181 1.823 7.736 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -9.429 1.765 6.002 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -11.190 0.674 9.132 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -11.539 2.312 5.214 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -13.682 0.975 9.472 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -14.029 2.606 5.567 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.687 2.356 6.915 1.00 0.00 H new ATOM 697 N LYS A 54 -9.431 -0.448 4.540 1.00 0.00 N ATOM 698 CA LYS A 54 -9.931 -1.025 3.303 1.00 0.00 C ATOM 699 C LYS A 54 -9.608 -2.520 3.276 1.00 0.00 C ATOM 700 O LYS A 54 -10.511 -3.353 3.196 1.00 0.00 O ATOM 701 CB LYS A 54 -9.389 -0.256 2.096 1.00 0.00 C ATOM 702 CG LYS A 54 -10.319 0.898 1.719 1.00 0.00 C ATOM 703 CD LYS A 54 -9.526 2.080 1.158 1.00 0.00 C ATOM 704 CE LYS A 54 -10.419 2.983 0.304 1.00 0.00 C ATOM 705 NZ LYS A 54 -10.983 2.225 -0.836 1.00 0.00 N ATOM 0 H LYS A 54 -8.730 0.283 4.417 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.016 -0.932 3.250 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.396 0.132 2.323 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.281 -0.932 1.248 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.045 0.559 0.980 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.883 1.217 2.596 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.097 2.657 1.978 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.694 1.712 0.557 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.226 3.388 0.914 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.842 3.831 -0.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.120 2.865 -1.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.328 1.463 -1.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.898 1.814 -0.561 1.00 0.00 H new ATOM 715 N LEU A 55 -8.318 -2.816 3.344 1.00 0.00 N ATOM 716 CA LEU A 55 -7.864 -4.197 3.329 1.00 0.00 C ATOM 717 C LEU A 55 -8.698 -5.014 4.317 1.00 0.00 C ATOM 718 O LEU A 55 -9.407 -5.938 3.922 1.00 0.00 O ATOM 719 CB LEU A 55 -6.358 -4.268 3.587 1.00 0.00 C ATOM 720 CG LEU A 55 -5.468 -3.565 2.560 1.00 0.00 C ATOM 721 CD1 LEU A 55 -4.057 -3.353 3.113 1.00 0.00 C ATOM 722 CD2 LEU A 55 -5.455 -4.327 1.232 1.00 0.00 C ATOM 0 H LEU A 55 -7.572 -2.123 3.410 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.016 -4.638 2.344 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.157 -3.838 4.568 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.066 -5.317 3.633 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.888 -2.579 2.361 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.444 -2.852 2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.107 -2.738 4.012 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.613 -4.318 3.358 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.815 -3.806 0.520 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.072 -5.335 1.394 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.469 -4.384 0.835 1.00 0.00 H new ATOM 733 N LYS A 56 -8.585 -4.643 5.585 1.00 0.00 N ATOM 734 CA LYS A 56 -9.319 -5.330 6.634 1.00 0.00 C ATOM 735 C LYS A 56 -10.748 -5.600 6.157 1.00 0.00 C ATOM 736 O LYS A 56 -11.165 -6.753 6.058 1.00 0.00 O ATOM 737 CB LYS A 56 -9.247 -4.543 7.943 1.00 0.00 C ATOM 738 CG LYS A 56 -7.886 -4.727 8.619 1.00 0.00 C ATOM 739 CD LYS A 56 -8.043 -5.356 10.004 1.00 0.00 C ATOM 740 CE LYS A 56 -7.964 -4.294 11.102 1.00 0.00 C ATOM 741 NZ LYS A 56 -9.289 -3.668 11.314 1.00 0.00 N ATOM 0 H LYS A 56 -7.996 -3.876 5.909 1.00 0.00 H new ATOM 0 HA LYS A 56 -8.864 -6.298 6.846 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.419 -3.485 7.745 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -10.039 -4.874 8.615 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -7.250 -5.359 7.999 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.387 -3.762 8.708 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.999 -5.876 10.065 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.264 -6.102 10.159 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.617 -4.747 12.030 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.235 -3.532 10.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.218 -2.949 12.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.606 -3.218 10.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -9.976 -4.396 11.597 1.00 0.00 H new ATOM 751 N SER A 57 -11.458 -4.519 5.875 1.00 0.00 N ATOM 752 CA SER A 57 -12.831 -4.624 5.410 1.00 0.00 C ATOM 753 C SER A 57 -12.920 -5.633 4.264 1.00 0.00 C ATOM 754 O SER A 57 -13.653 -6.617 4.353 1.00 0.00 O ATOM 755 CB SER A 57 -13.368 -3.263 4.963 1.00 0.00 C ATOM 756 OG SER A 57 -14.723 -3.068 5.357 1.00 0.00 O ATOM 0 H SER A 57 -11.109 -3.564 5.959 1.00 0.00 H new ATOM 0 HA SER A 57 -13.447 -4.971 6.240 1.00 0.00 H new ATOM 0 HB2 SER A 57 -12.750 -2.472 5.388 1.00 0.00 H new ATOM 0 HB3 SER A 57 -13.290 -3.181 3.879 1.00 0.00 H new ATOM 0 HG SER A 57 -15.028 -2.187 5.055 1.00 0.00 H new ATOM 761 N SER A 58 -12.162 -5.355 3.213 1.00 0.00 N ATOM 762 CA SER A 58 -12.146 -6.225 2.050 1.00 0.00 C ATOM 763 C SER A 58 -12.022 -7.685 2.492 1.00 0.00 C ATOM 764 O SER A 58 -12.910 -8.495 2.229 1.00 0.00 O ATOM 765 CB SER A 58 -11.003 -5.858 1.103 1.00 0.00 C ATOM 766 OG SER A 58 -11.010 -4.474 0.770 1.00 0.00 O ATOM 0 H SER A 58 -11.554 -4.539 3.143 1.00 0.00 H new ATOM 0 HA SER A 58 -13.084 -6.093 1.511 1.00 0.00 H new ATOM 0 HB2 SER A 58 -10.051 -6.114 1.568 1.00 0.00 H new ATOM 0 HB3 SER A 58 -11.083 -6.451 0.192 1.00 0.00 H new ATOM 0 HG SER A 58 -10.700 -3.951 1.539 1.00 0.00 H new ATOM 771 N GLN A 59 -10.912 -7.977 3.155 1.00 0.00 N ATOM 772 CA GLN A 59 -10.661 -9.325 3.635 1.00 0.00 C ATOM 773 C GLN A 59 -9.385 -9.358 4.480 1.00 0.00 C ATOM 774 O GLN A 59 -8.339 -8.877 4.050 1.00 0.00 O ATOM 775 CB GLN A 59 -10.572 -10.314 2.471 1.00 0.00 C ATOM 776 CG GLN A 59 -10.720 -11.756 2.963 1.00 0.00 C ATOM 777 CD GLN A 59 -9.921 -12.721 2.085 1.00 0.00 C ATOM 778 OE1 GLN A 59 -9.564 -12.422 0.957 1.00 0.00 O ATOM 779 NE2 GLN A 59 -9.662 -13.889 2.663 1.00 0.00 N ATOM 0 H GLN A 59 -10.177 -7.303 3.371 1.00 0.00 H new ATOM 0 HA GLN A 59 -11.499 -9.628 4.263 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -11.351 -10.093 1.741 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -9.616 -10.196 1.962 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -10.377 -11.829 3.995 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -11.772 -12.040 2.957 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.991 -14.073 3.611 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -9.134 -14.601 2.159 1.00 0.00 H new ATOM 786 N GLY A 60 -9.516 -9.930 5.669 1.00 0.00 N ATOM 787 CA GLY A 60 -8.388 -10.031 6.578 1.00 0.00 C ATOM 788 C GLY A 60 -8.772 -10.795 7.847 1.00 0.00 C ATOM 789 O GLY A 60 -9.665 -11.640 7.820 1.00 0.00 O ATOM 0 H GLY A 60 -10.386 -10.328 6.023 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.560 -10.537 6.081 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.039 -9.033 6.842 1.00 0.00 H new ATOM 793 N PHE A 61 -8.081 -10.469 8.929 1.00 0.00 N ATOM 794 CA PHE A 61 -8.339 -11.113 10.204 1.00 0.00 C ATOM 795 C PHE A 61 -8.906 -10.117 11.217 1.00 0.00 C ATOM 796 O PHE A 61 -8.873 -8.908 10.990 1.00 0.00 O ATOM 797 CB PHE A 61 -6.998 -11.638 10.721 1.00 0.00 C ATOM 798 CG PHE A 61 -5.831 -10.671 10.515 1.00 0.00 C ATOM 799 CD1 PHE A 61 -5.889 -9.415 11.033 1.00 0.00 C ATOM 800 CD2 PHE A 61 -4.734 -11.068 9.816 1.00 0.00 C ATOM 801 CE1 PHE A 61 -4.805 -8.516 10.842 1.00 0.00 C ATOM 802 CE2 PHE A 61 -3.650 -10.169 9.625 1.00 0.00 C ATOM 803 CZ PHE A 61 -3.708 -8.913 10.142 1.00 0.00 C ATOM 0 H PHE A 61 -7.342 -9.766 8.948 1.00 0.00 H new ATOM 0 HA PHE A 61 -9.067 -11.914 10.074 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.091 -11.858 11.785 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.770 -12.579 10.220 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -6.759 -9.100 11.590 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -4.687 -12.066 9.406 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.852 -7.518 11.252 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -2.779 -10.484 9.069 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.884 -8.231 9.997 1.00 0.00 H new ATOM 812 N SER A 62 -9.414 -10.660 12.314 1.00 0.00 N ATOM 813 CA SER A 62 -9.988 -9.832 13.362 1.00 0.00 C ATOM 814 C SER A 62 -11.087 -8.940 12.783 1.00 0.00 C ATOM 815 O SER A 62 -11.220 -8.825 11.565 1.00 0.00 O ATOM 816 CB SER A 62 -8.915 -8.979 14.041 1.00 0.00 C ATOM 817 OG SER A 62 -8.329 -9.645 15.156 1.00 0.00 O ATOM 0 H SER A 62 -9.440 -11.663 12.500 1.00 0.00 H new ATOM 0 HA SER A 62 -10.422 -10.489 14.116 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.138 -8.731 13.318 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.355 -8.038 14.371 1.00 0.00 H new ATOM 0 HG SER A 62 -7.648 -9.068 15.561 1.00 0.00 H new ATOM 822 N GLY A 63 -11.847 -8.332 13.681 1.00 0.00 N ATOM 823 CA GLY A 63 -12.930 -7.454 13.274 1.00 0.00 C ATOM 824 C GLY A 63 -14.253 -7.881 13.914 1.00 0.00 C ATOM 825 O GLY A 63 -14.412 -9.036 14.306 1.00 0.00 O ATOM 0 H GLY A 63 -11.734 -8.430 14.690 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -12.698 -6.428 13.560 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -13.026 -7.468 12.188 1.00 0.00 H new ATOM 829 N PRO A 64 -15.192 -6.901 14.002 1.00 0.00 N ATOM 830 CA PRO A 64 -16.495 -7.164 14.588 1.00 0.00 C ATOM 831 C PRO A 64 -17.375 -7.967 13.630 1.00 0.00 C ATOM 832 O PRO A 64 -18.207 -7.401 12.923 1.00 0.00 O ATOM 833 CB PRO A 64 -17.065 -5.792 14.910 1.00 0.00 C ATOM 834 CG PRO A 64 -16.270 -4.803 14.074 1.00 0.00 C ATOM 835 CD PRO A 64 -15.037 -5.521 13.549 1.00 0.00 C ATOM 0 HA PRO A 64 -16.436 -7.777 15.487 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -18.127 -5.744 14.667 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -16.970 -5.570 15.973 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -16.875 -4.429 13.248 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -15.982 -3.940 14.675 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -14.979 -5.465 12.462 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.122 -5.076 13.941 1.00 0.00 H new ATOM 840 N SER A 65 -17.162 -9.275 13.635 1.00 0.00 N ATOM 841 CA SER A 65 -17.925 -10.162 12.775 1.00 0.00 C ATOM 842 C SER A 65 -17.780 -11.608 13.254 1.00 0.00 C ATOM 843 O SER A 65 -16.775 -11.966 13.867 1.00 0.00 O ATOM 844 CB SER A 65 -17.475 -10.038 11.318 1.00 0.00 C ATOM 845 OG SER A 65 -18.212 -9.043 10.614 1.00 0.00 O ATOM 0 H SER A 65 -16.471 -9.742 14.222 1.00 0.00 H new ATOM 0 HA SER A 65 -18.974 -9.872 12.829 1.00 0.00 H new ATOM 0 HB2 SER A 65 -16.413 -9.793 11.286 1.00 0.00 H new ATOM 0 HB3 SER A 65 -17.595 -10.999 10.818 1.00 0.00 H new ATOM 0 HG SER A 65 -18.381 -8.281 11.206 1.00 0.00 H new ATOM 850 N SER A 66 -18.799 -12.401 12.957 1.00 0.00 N ATOM 851 CA SER A 66 -18.798 -13.800 13.349 1.00 0.00 C ATOM 852 C SER A 66 -17.837 -14.592 12.461 1.00 0.00 C ATOM 853 O SER A 66 -17.530 -14.175 11.346 1.00 0.00 O ATOM 854 CB SER A 66 -20.205 -14.395 13.271 1.00 0.00 C ATOM 855 OG SER A 66 -20.610 -14.973 14.508 1.00 0.00 O ATOM 0 H SER A 66 -19.631 -12.101 12.449 1.00 0.00 H new ATOM 0 HA SER A 66 -18.462 -13.864 14.384 1.00 0.00 H new ATOM 0 HB2 SER A 66 -20.912 -13.616 12.986 1.00 0.00 H new ATOM 0 HB3 SER A 66 -20.235 -15.154 12.489 1.00 0.00 H new ATOM 0 HG SER A 66 -21.514 -15.340 14.417 1.00 0.00 H new ATOM 860 N GLY A 67 -17.387 -15.721 12.989 1.00 0.00 N ATOM 861 CA GLY A 67 -16.466 -16.575 12.259 1.00 0.00 C ATOM 862 C GLY A 67 -15.649 -17.445 13.215 1.00 0.00 C ATOM 863 O GLY A 67 -15.299 -18.577 12.885 1.00 0.00 O ATOM 0 H GLY A 67 -17.644 -16.064 13.915 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -17.022 -17.210 11.570 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -15.795 -15.962 11.657 1.00 0.00 H new TER 867 GLY A 67