USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 612 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 13 LYS NZ :NH3+ 156:sc= 1.24 (180deg=0) USER MOD Set 1.2: A 68 TYR OH : rot 180:sc= 1 USER MOD Set 2.1: A 60 GLN : amide:sc= -2.27! K(o=-3.4!,f=-2.4) USER MOD Set 2.2: A 61 LYS NZ :NH3+ -139:sc= -1.08 (180deg=-2.9!) USER MOD Set 3.1: A 29 MET CE :methyl -103:sc= -0.361 (180deg=-1.07) USER MOD Set 3.2: A 30 LYS NZ :NH3+ -139:sc= -0.0152 (180deg=0) USER MOD Set 4.1: A 12 SER OG : rot 180:sc= 0.146 USER MOD Set 4.2: A 14 THR OG1 : rot 180:sc=-0.00809 USER MOD Single : A 1 ALA N :NH3+ -134:sc= 0.0805 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -5.51! C(o=-5.5!,f=-13!) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 7:sc= -3.35! USER MOD Single : A 22 LYS NZ :NH3+ -173:sc= -0.134 (180deg=-0.225) USER MOD Single : A 24 TYR OH : rot -7:sc= -1.38 USER MOD Single : A 25 LYS NZ :NH3+ -125:sc= -0.109 (180deg=-0.578) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -8.43! C(o=-8.4!,f=-6.6!) USER MOD Single : A 36 ASN : amide:sc= -1.29! C(o=-1.3!,f=-3.3!) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -149:sc= -0.131 (180deg=-1.61) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot -140:sc= -1.78! USER MOD Single : A 57 THR OG1 : rot -23:sc= -0.37 USER MOD Single : A 59 SER OG : rot -45:sc= 0.0061 USER MOD Single : A 65 TYR OH : rot 30:sc= -2.31! USER MOD Single : A 67 GLN : amide:sc= -0.245 K(o=-0.24,f=-2.9!) USER MOD Single : A 70 HIS : no HE2:sc= -0.838 K(o=-0.84,f=-2.3!) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.0015) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 69.917 -15.059 2.930 1.00 0.00 N ATOM 2 CA ALA A 1 68.469 -14.865 3.239 1.00 0.00 C ATOM 3 C ALA A 1 67.806 -14.023 2.145 1.00 0.00 C ATOM 4 O ALA A 1 68.294 -13.935 1.036 1.00 0.00 O ATOM 5 CB ALA A 1 68.440 -14.128 4.580 1.00 0.00 C ATOM 0 H1 ALA A 1 70.171 -16.058 3.069 1.00 0.00 H new ATOM 0 H2 ALA A 1 70.100 -14.790 1.942 1.00 0.00 H new ATOM 0 H3 ALA A 1 70.490 -14.465 3.563 1.00 0.00 H new ATOM 0 HA ALA A 1 67.927 -15.809 3.286 1.00 0.00 H new ATOM 0 HB1 ALA A 1 67.406 -13.949 4.874 1.00 0.00 H new ATOM 0 HB2 ALA A 1 68.934 -14.735 5.339 1.00 0.00 H new ATOM 0 HB3 ALA A 1 68.960 -13.175 4.483 1.00 0.00 H new ATOM 13 N LYS A 2 66.697 -13.405 2.447 1.00 0.00 N ATOM 14 CA LYS A 2 66.008 -12.573 1.419 1.00 0.00 C ATOM 15 C LYS A 2 66.258 -11.085 1.683 1.00 0.00 C ATOM 16 O LYS A 2 67.323 -10.692 2.115 1.00 0.00 O ATOM 17 CB LYS A 2 64.523 -12.904 1.568 1.00 0.00 C ATOM 18 CG LYS A 2 64.039 -12.486 2.957 1.00 0.00 C ATOM 19 CD LYS A 2 63.279 -13.647 3.601 1.00 0.00 C ATOM 20 CE LYS A 2 62.638 -13.179 4.910 1.00 0.00 C ATOM 21 NZ LYS A 2 62.982 -14.230 5.911 1.00 0.00 N ATOM 0 H LYS A 2 66.239 -13.440 3.358 1.00 0.00 H new ATOM 0 HA LYS A 2 66.371 -12.780 0.412 1.00 0.00 H new ATOM 0 HB2 LYS A 2 63.947 -12.387 0.801 1.00 0.00 H new ATOM 0 HB3 LYS A 2 64.362 -13.972 1.422 1.00 0.00 H new ATOM 0 HG2 LYS A 2 64.887 -12.202 3.580 1.00 0.00 H new ATOM 0 HG3 LYS A 2 63.393 -11.611 2.881 1.00 0.00 H new ATOM 0 HD2 LYS A 2 62.512 -14.015 2.920 1.00 0.00 H new ATOM 0 HD3 LYS A 2 63.959 -14.477 3.794 1.00 0.00 H new ATOM 0 HE2 LYS A 2 63.025 -12.206 5.212 1.00 0.00 H new ATOM 0 HE3 LYS A 2 61.558 -13.074 4.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 62.575 -13.977 6.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 62.595 -15.144 5.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 64.016 -14.303 5.996 1.00 0.00 H new ATOM 35 N GLN A 3 65.286 -10.254 1.420 1.00 0.00 N ATOM 36 CA GLN A 3 65.471 -8.792 1.651 1.00 0.00 C ATOM 37 C GLN A 3 64.129 -8.132 1.981 1.00 0.00 C ATOM 38 O GLN A 3 63.109 -8.457 1.404 1.00 0.00 O ATOM 39 CB GLN A 3 66.022 -8.254 0.330 1.00 0.00 C ATOM 40 CG GLN A 3 66.366 -6.770 0.485 1.00 0.00 C ATOM 41 CD GLN A 3 66.909 -6.231 -0.842 1.00 0.00 C ATOM 42 OE1 GLN A 3 66.690 -5.087 -1.180 1.00 0.00 O ATOM 43 NE2 GLN A 3 67.618 -7.015 -1.610 1.00 0.00 N ATOM 0 H GLN A 3 64.372 -10.524 1.055 1.00 0.00 H new ATOM 0 HA GLN A 3 66.138 -8.586 2.488 1.00 0.00 H new ATOM 0 HB2 GLN A 3 66.910 -8.815 0.039 1.00 0.00 H new ATOM 0 HB3 GLN A 3 65.287 -8.387 -0.464 1.00 0.00 H new ATOM 0 HG2 GLN A 3 65.480 -6.209 0.782 1.00 0.00 H new ATOM 0 HG3 GLN A 3 67.106 -6.638 1.274 1.00 0.00 H new ATOM 0 HE21 GLN A 3 67.802 -7.977 -1.326 1.00 0.00 H new ATOM 0 HE22 GLN A 3 67.987 -6.665 -2.494 1.00 0.00 H new ATOM 52 N ASP A 4 64.120 -7.207 2.903 1.00 0.00 N ATOM 53 CA ASP A 4 62.838 -6.525 3.267 1.00 0.00 C ATOM 54 C ASP A 4 62.932 -5.041 2.985 1.00 0.00 C ATOM 55 O ASP A 4 63.655 -4.306 3.626 1.00 0.00 O ATOM 56 CB ASP A 4 62.593 -6.777 4.767 1.00 0.00 C ATOM 57 CG ASP A 4 63.730 -7.601 5.385 1.00 0.00 C ATOM 58 OD1 ASP A 4 64.865 -7.163 5.302 1.00 0.00 O ATOM 59 OD2 ASP A 4 63.443 -8.654 5.931 1.00 0.00 O ATOM 0 H ASP A 4 64.941 -6.893 3.420 1.00 0.00 H new ATOM 0 HA ASP A 4 62.012 -6.918 2.675 1.00 0.00 H new ATOM 0 HB2 ASP A 4 62.506 -5.824 5.289 1.00 0.00 H new ATOM 0 HB3 ASP A 4 61.647 -7.301 4.900 1.00 0.00 H new ATOM 64 N TYR A 5 62.184 -4.609 2.022 1.00 0.00 N ATOM 65 CA TYR A 5 62.193 -3.166 1.661 1.00 0.00 C ATOM 66 C TYR A 5 61.756 -2.330 2.856 1.00 0.00 C ATOM 67 O TYR A 5 62.419 -1.380 3.221 1.00 0.00 O ATOM 68 CB TYR A 5 61.261 -2.957 0.457 1.00 0.00 C ATOM 69 CG TYR A 5 60.656 -4.249 -0.017 1.00 0.00 C ATOM 70 CD1 TYR A 5 61.430 -5.139 -0.767 1.00 0.00 C ATOM 71 CD2 TYR A 5 59.333 -4.548 0.290 1.00 0.00 C ATOM 72 CE1 TYR A 5 60.872 -6.343 -1.210 1.00 0.00 C ATOM 73 CE2 TYR A 5 58.769 -5.749 -0.155 1.00 0.00 C ATOM 74 CZ TYR A 5 59.539 -6.647 -0.906 1.00 0.00 C ATOM 75 OH TYR A 5 58.984 -7.833 -1.343 1.00 0.00 O ATOM 0 H TYR A 5 61.561 -5.192 1.463 1.00 0.00 H new ATOM 0 HA TYR A 5 63.199 -2.847 1.388 1.00 0.00 H new ATOM 0 HB2 TYR A 5 60.466 -2.263 0.730 1.00 0.00 H new ATOM 0 HB3 TYR A 5 61.819 -2.497 -0.358 1.00 0.00 H new ATOM 0 HD1 TYR A 5 62.456 -4.898 -1.004 1.00 0.00 H new ATOM 0 HD2 TYR A 5 58.742 -3.855 0.871 1.00 0.00 H new ATOM 0 HE1 TYR A 5 61.468 -7.036 -1.785 1.00 0.00 H new ATOM 0 HE2 TYR A 5 57.741 -5.983 0.080 1.00 0.00 H new ATOM 0 HH TYR A 5 58.052 -7.887 -1.045 1.00 0.00 H new ATOM 85 N TYR A 6 60.676 -2.685 3.502 1.00 0.00 N ATOM 86 CA TYR A 6 60.274 -1.901 4.701 1.00 0.00 C ATOM 87 C TYR A 6 61.514 -1.744 5.572 1.00 0.00 C ATOM 88 O TYR A 6 61.684 -0.771 6.282 1.00 0.00 O ATOM 89 CB TYR A 6 59.205 -2.735 5.403 1.00 0.00 C ATOM 90 CG TYR A 6 57.855 -2.489 4.764 1.00 0.00 C ATOM 91 CD1 TYR A 6 57.415 -1.185 4.509 1.00 0.00 C ATOM 92 CD2 TYR A 6 57.034 -3.577 4.454 1.00 0.00 C ATOM 93 CE1 TYR A 6 56.147 -0.973 3.948 1.00 0.00 C ATOM 94 CE2 TYR A 6 55.772 -3.368 3.888 1.00 0.00 C ATOM 95 CZ TYR A 6 55.326 -2.065 3.638 1.00 0.00 C ATOM 96 OH TYR A 6 54.076 -1.859 3.091 1.00 0.00 O ATOM 0 H TYR A 6 60.068 -3.467 3.257 1.00 0.00 H new ATOM 0 HA TYR A 6 59.882 -0.910 4.471 1.00 0.00 H new ATOM 0 HB2 TYR A 6 59.459 -3.793 5.341 1.00 0.00 H new ATOM 0 HB3 TYR A 6 59.168 -2.478 6.462 1.00 0.00 H new ATOM 0 HD1 TYR A 6 58.050 -0.344 4.744 1.00 0.00 H new ATOM 0 HD2 TYR A 6 57.375 -4.582 4.652 1.00 0.00 H new ATOM 0 HE1 TYR A 6 55.803 0.033 3.755 1.00 0.00 H new ATOM 0 HE2 TYR A 6 55.142 -4.211 3.644 1.00 0.00 H new ATOM 0 HH TYR A 6 53.963 -0.908 2.882 1.00 0.00 H new ATOM 106 N GLU A 7 62.405 -2.693 5.474 1.00 0.00 N ATOM 107 CA GLU A 7 63.677 -2.619 6.236 1.00 0.00 C ATOM 108 C GLU A 7 64.727 -1.911 5.378 1.00 0.00 C ATOM 109 O GLU A 7 65.612 -1.248 5.879 1.00 0.00 O ATOM 110 CB GLU A 7 64.083 -4.071 6.495 1.00 0.00 C ATOM 111 CG GLU A 7 64.949 -4.139 7.755 1.00 0.00 C ATOM 112 CD GLU A 7 66.413 -4.346 7.360 1.00 0.00 C ATOM 113 OE1 GLU A 7 66.648 -4.868 6.283 1.00 0.00 O ATOM 114 OE2 GLU A 7 67.274 -3.980 8.143 1.00 0.00 O ATOM 0 H GLU A 7 62.302 -3.524 4.891 1.00 0.00 H new ATOM 0 HA GLU A 7 63.579 -2.066 7.170 1.00 0.00 H new ATOM 0 HB2 GLU A 7 63.196 -4.692 6.616 1.00 0.00 H new ATOM 0 HB3 GLU A 7 64.633 -4.464 5.640 1.00 0.00 H new ATOM 0 HG2 GLU A 7 64.844 -3.220 8.331 1.00 0.00 H new ATOM 0 HG3 GLU A 7 64.615 -4.956 8.395 1.00 0.00 H new ATOM 121 N ILE A 8 64.638 -2.062 4.079 1.00 0.00 N ATOM 122 CA ILE A 8 65.636 -1.410 3.185 1.00 0.00 C ATOM 123 C ILE A 8 65.719 0.087 3.483 1.00 0.00 C ATOM 124 O ILE A 8 66.789 0.659 3.552 1.00 0.00 O ATOM 125 CB ILE A 8 65.143 -1.634 1.764 1.00 0.00 C ATOM 126 CG1 ILE A 8 65.387 -3.095 1.370 1.00 0.00 C ATOM 127 CG2 ILE A 8 65.933 -0.733 0.816 1.00 0.00 C ATOM 128 CD1 ILE A 8 65.045 -3.292 -0.109 1.00 0.00 C ATOM 0 H ILE A 8 63.919 -2.607 3.604 1.00 0.00 H new ATOM 0 HA ILE A 8 66.632 -1.828 3.333 1.00 0.00 H new ATOM 0 HB ILE A 8 64.079 -1.404 1.703 1.00 0.00 H new ATOM 0 HG12 ILE A 8 66.428 -3.362 1.552 1.00 0.00 H new ATOM 0 HG13 ILE A 8 64.776 -3.755 1.986 1.00 0.00 H new ATOM 0 HG21 ILE A 8 65.586 -0.887 -0.206 1.00 0.00 H new ATOM 0 HG22 ILE A 8 65.784 0.310 1.097 1.00 0.00 H new ATOM 0 HG23 ILE A 8 66.993 -0.978 0.880 1.00 0.00 H new ATOM 0 HD11 ILE A 8 65.219 -4.331 -0.387 1.00 0.00 H new ATOM 0 HD12 ILE A 8 63.997 -3.042 -0.277 1.00 0.00 H new ATOM 0 HD13 ILE A 8 65.675 -2.643 -0.718 1.00 0.00 H new ATOM 140 N LEU A 9 64.594 0.725 3.667 1.00 0.00 N ATOM 141 CA LEU A 9 64.612 2.190 3.971 1.00 0.00 C ATOM 142 C LEU A 9 64.877 2.380 5.465 1.00 0.00 C ATOM 143 O LEU A 9 65.222 3.454 5.919 1.00 0.00 O ATOM 144 CB LEU A 9 63.221 2.709 3.601 1.00 0.00 C ATOM 145 CG LEU A 9 62.720 2.025 2.329 1.00 0.00 C ATOM 146 CD1 LEU A 9 61.508 1.154 2.667 1.00 0.00 C ATOM 147 CD2 LEU A 9 62.318 3.093 1.310 1.00 0.00 C ATOM 0 H LEU A 9 63.668 0.301 3.621 1.00 0.00 H new ATOM 0 HA LEU A 9 65.386 2.724 3.420 1.00 0.00 H new ATOM 0 HB2 LEU A 9 62.526 2.523 4.420 1.00 0.00 H new ATOM 0 HB3 LEU A 9 63.256 3.788 3.452 1.00 0.00 H new ATOM 0 HG LEU A 9 63.508 1.400 1.909 1.00 0.00 H new ATOM 0 HD11 LEU A 9 61.148 0.665 1.762 1.00 0.00 H new ATOM 0 HD12 LEU A 9 61.795 0.399 3.398 1.00 0.00 H new ATOM 0 HD13 LEU A 9 60.716 1.778 3.082 1.00 0.00 H new ATOM 0 HD21 LEU A 9 61.960 2.611 0.400 1.00 0.00 H new ATOM 0 HD22 LEU A 9 61.526 3.715 1.728 1.00 0.00 H new ATOM 0 HD23 LEU A 9 63.182 3.715 1.075 1.00 0.00 H new ATOM 159 N GLY A 10 64.718 1.335 6.230 1.00 0.00 N ATOM 160 CA GLY A 10 64.951 1.434 7.695 1.00 0.00 C ATOM 161 C GLY A 10 63.608 1.623 8.394 1.00 0.00 C ATOM 162 O GLY A 10 63.533 2.138 9.492 1.00 0.00 O ATOM 0 H GLY A 10 64.435 0.412 5.899 1.00 0.00 H new ATOM 0 HA2 GLY A 10 65.443 0.533 8.061 1.00 0.00 H new ATOM 0 HA3 GLY A 10 65.613 2.271 7.916 1.00 0.00 H new ATOM 166 N VAL A 11 62.539 1.221 7.756 1.00 0.00 N ATOM 167 CA VAL A 11 61.194 1.395 8.382 1.00 0.00 C ATOM 168 C VAL A 11 60.639 0.055 8.844 1.00 0.00 C ATOM 169 O VAL A 11 61.221 -0.989 8.622 1.00 0.00 O ATOM 170 CB VAL A 11 60.254 1.968 7.306 1.00 0.00 C ATOM 171 CG1 VAL A 11 59.684 3.295 7.787 1.00 0.00 C ATOM 172 CG2 VAL A 11 60.963 2.198 5.973 1.00 0.00 C ATOM 0 H VAL A 11 62.538 0.783 6.835 1.00 0.00 H new ATOM 0 HA VAL A 11 61.273 2.056 9.245 1.00 0.00 H new ATOM 0 HB VAL A 11 59.464 1.235 7.146 1.00 0.00 H new ATOM 0 HG11 VAL A 11 59.018 3.702 7.026 1.00 0.00 H new ATOM 0 HG12 VAL A 11 59.127 3.138 8.711 1.00 0.00 H new ATOM 0 HG13 VAL A 11 60.498 3.996 7.969 1.00 0.00 H new ATOM 0 HG21 VAL A 11 60.255 2.603 5.250 1.00 0.00 H new ATOM 0 HG22 VAL A 11 61.782 2.904 6.113 1.00 0.00 H new ATOM 0 HG23 VAL A 11 61.359 1.252 5.603 1.00 0.00 H new ATOM 182 N SER A 12 59.495 0.084 9.464 1.00 0.00 N ATOM 183 CA SER A 12 58.861 -1.177 9.923 1.00 0.00 C ATOM 184 C SER A 12 58.021 -1.753 8.797 1.00 0.00 C ATOM 185 O SER A 12 57.502 -1.030 7.971 1.00 0.00 O ATOM 186 CB SER A 12 57.976 -0.774 11.103 1.00 0.00 C ATOM 187 OG SER A 12 57.091 -1.844 11.412 1.00 0.00 O ATOM 0 H SER A 12 58.970 0.933 9.673 1.00 0.00 H new ATOM 0 HA SER A 12 59.589 -1.935 10.211 1.00 0.00 H new ATOM 0 HB2 SER A 12 58.592 -0.534 11.970 1.00 0.00 H new ATOM 0 HB3 SER A 12 57.408 0.124 10.857 1.00 0.00 H new ATOM 0 HG SER A 12 56.523 -1.590 12.169 1.00 0.00 H new ATOM 193 N LYS A 13 57.863 -3.044 8.750 1.00 0.00 N ATOM 194 CA LYS A 13 57.031 -3.616 7.668 1.00 0.00 C ATOM 195 C LYS A 13 55.677 -2.917 7.676 1.00 0.00 C ATOM 196 O LYS A 13 54.955 -2.907 6.699 1.00 0.00 O ATOM 197 CB LYS A 13 56.909 -5.099 7.975 1.00 0.00 C ATOM 198 CG LYS A 13 56.317 -5.296 9.372 1.00 0.00 C ATOM 199 CD LYS A 13 57.338 -6.008 10.263 1.00 0.00 C ATOM 200 CE LYS A 13 56.688 -7.236 10.908 1.00 0.00 C ATOM 201 NZ LYS A 13 57.814 -8.173 11.189 1.00 0.00 N ATOM 0 H LYS A 13 58.267 -3.715 9.403 1.00 0.00 H new ATOM 0 HA LYS A 13 57.461 -3.478 6.676 1.00 0.00 H new ATOM 0 HB2 LYS A 13 56.276 -5.582 7.231 1.00 0.00 H new ATOM 0 HB3 LYS A 13 57.889 -5.573 7.916 1.00 0.00 H new ATOM 0 HG2 LYS A 13 56.050 -4.332 9.805 1.00 0.00 H new ATOM 0 HG3 LYS A 13 55.400 -5.882 9.311 1.00 0.00 H new ATOM 0 HD2 LYS A 13 58.203 -6.310 9.673 1.00 0.00 H new ATOM 0 HD3 LYS A 13 57.700 -5.328 11.034 1.00 0.00 H new ATOM 0 HE2 LYS A 13 56.162 -6.967 11.824 1.00 0.00 H new ATOM 0 HE3 LYS A 13 55.955 -7.690 10.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 57.545 -8.818 11.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 58.028 -8.725 10.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 58.656 -7.630 11.470 1.00 0.00 H new ATOM 215 N THR A 14 55.346 -2.309 8.780 1.00 0.00 N ATOM 216 CA THR A 14 54.060 -1.574 8.888 1.00 0.00 C ATOM 217 C THR A 14 54.353 -0.070 8.875 1.00 0.00 C ATOM 218 O THR A 14 53.526 0.733 9.254 1.00 0.00 O ATOM 219 CB THR A 14 53.457 -1.997 10.235 1.00 0.00 C ATOM 220 OG1 THR A 14 53.841 -1.065 11.236 1.00 0.00 O ATOM 221 CG2 THR A 14 53.957 -3.396 10.622 1.00 0.00 C ATOM 0 H THR A 14 55.921 -2.291 9.622 1.00 0.00 H new ATOM 0 HA THR A 14 53.376 -1.791 8.068 1.00 0.00 H new ATOM 0 HB THR A 14 52.371 -2.019 10.148 1.00 0.00 H new ATOM 0 HG1 THR A 14 53.456 -1.332 12.097 1.00 0.00 H new ATOM 0 HG21 THR A 14 53.523 -3.686 11.579 1.00 0.00 H new ATOM 0 HG22 THR A 14 53.660 -4.113 9.857 1.00 0.00 H new ATOM 0 HG23 THR A 14 55.044 -3.384 10.705 1.00 0.00 H new ATOM 229 N ALA A 15 55.541 0.300 8.451 1.00 0.00 N ATOM 230 CA ALA A 15 55.947 1.732 8.399 1.00 0.00 C ATOM 231 C ALA A 15 54.893 2.626 7.723 1.00 0.00 C ATOM 232 O ALA A 15 53.726 2.607 8.052 1.00 0.00 O ATOM 233 CB ALA A 15 57.217 1.681 7.571 1.00 0.00 C ATOM 0 H ALA A 15 56.258 -0.351 8.133 1.00 0.00 H new ATOM 0 HA ALA A 15 56.073 2.164 9.392 1.00 0.00 H new ATOM 0 HB1 ALA A 15 57.619 2.688 7.459 1.00 0.00 H new ATOM 0 HB2 ALA A 15 57.952 1.050 8.071 1.00 0.00 H new ATOM 0 HB3 ALA A 15 56.994 1.268 6.587 1.00 0.00 H new ATOM 239 N GLU A 16 55.314 3.429 6.791 1.00 0.00 N ATOM 240 CA GLU A 16 54.376 4.342 6.095 1.00 0.00 C ATOM 241 C GLU A 16 55.152 5.196 5.092 1.00 0.00 C ATOM 242 O GLU A 16 56.261 5.623 5.346 1.00 0.00 O ATOM 243 CB GLU A 16 53.773 5.213 7.197 1.00 0.00 C ATOM 244 CG GLU A 16 52.316 4.808 7.418 1.00 0.00 C ATOM 245 CD GLU A 16 51.406 6.007 7.151 1.00 0.00 C ATOM 246 OE1 GLU A 16 51.756 6.815 6.308 1.00 0.00 O ATOM 247 OE2 GLU A 16 50.373 6.096 7.794 1.00 0.00 O ATOM 0 H GLU A 16 56.283 3.491 6.479 1.00 0.00 H new ATOM 0 HA GLU A 16 53.602 3.810 5.541 1.00 0.00 H new ATOM 0 HB2 GLU A 16 54.340 5.095 8.121 1.00 0.00 H new ATOM 0 HB3 GLU A 16 53.832 6.265 6.919 1.00 0.00 H new ATOM 0 HG2 GLU A 16 52.052 3.984 6.756 1.00 0.00 H new ATOM 0 HG3 GLU A 16 52.177 4.453 8.439 1.00 0.00 H new ATOM 254 N GLU A 17 54.580 5.430 3.951 1.00 0.00 N ATOM 255 CA GLU A 17 55.271 6.239 2.905 1.00 0.00 C ATOM 256 C GLU A 17 55.825 7.552 3.478 1.00 0.00 C ATOM 257 O GLU A 17 56.672 8.180 2.877 1.00 0.00 O ATOM 258 CB GLU A 17 54.191 6.532 1.866 1.00 0.00 C ATOM 259 CG GLU A 17 53.157 7.490 2.463 1.00 0.00 C ATOM 260 CD GLU A 17 52.194 7.953 1.368 1.00 0.00 C ATOM 261 OE1 GLU A 17 52.612 8.728 0.525 1.00 0.00 O ATOM 262 OE2 GLU A 17 51.051 7.522 1.391 1.00 0.00 O ATOM 0 H GLU A 17 53.653 5.094 3.691 1.00 0.00 H new ATOM 0 HA GLU A 17 56.126 5.706 2.489 1.00 0.00 H new ATOM 0 HB2 GLU A 17 54.638 6.972 0.975 1.00 0.00 H new ATOM 0 HB3 GLU A 17 53.708 5.605 1.556 1.00 0.00 H new ATOM 0 HG2 GLU A 17 52.605 6.994 3.261 1.00 0.00 H new ATOM 0 HG3 GLU A 17 53.657 8.350 2.909 1.00 0.00 H new ATOM 269 N ARG A 18 55.354 7.985 4.616 1.00 0.00 N ATOM 270 CA ARG A 18 55.870 9.272 5.182 1.00 0.00 C ATOM 271 C ARG A 18 57.124 9.031 6.024 1.00 0.00 C ATOM 272 O ARG A 18 57.990 9.877 6.123 1.00 0.00 O ATOM 273 CB ARG A 18 54.729 9.827 6.038 1.00 0.00 C ATOM 274 CG ARG A 18 54.216 8.743 6.986 1.00 0.00 C ATOM 275 CD ARG A 18 53.454 9.398 8.141 1.00 0.00 C ATOM 276 NE ARG A 18 52.087 9.656 7.605 1.00 0.00 N ATOM 277 CZ ARG A 18 51.525 10.821 7.781 1.00 0.00 C ATOM 278 NH1 ARG A 18 51.379 11.299 8.986 1.00 0.00 N ATOM 279 NH2 ARG A 18 51.105 11.507 6.752 1.00 0.00 N ATOM 0 H ARG A 18 54.643 7.513 5.175 1.00 0.00 H new ATOM 0 HA ARG A 18 56.159 9.972 4.399 1.00 0.00 H new ATOM 0 HB2 ARG A 18 55.077 10.688 6.610 1.00 0.00 H new ATOM 0 HB3 ARG A 18 53.919 10.176 5.398 1.00 0.00 H new ATOM 0 HG2 ARG A 18 53.564 8.054 6.450 1.00 0.00 H new ATOM 0 HG3 ARG A 18 55.050 8.157 7.372 1.00 0.00 H new ATOM 0 HD2 ARG A 18 53.419 8.744 9.012 1.00 0.00 H new ATOM 0 HD3 ARG A 18 53.935 10.324 8.457 1.00 0.00 H new ATOM 0 HE ARG A 18 51.590 8.922 7.100 1.00 0.00 H new ATOM 0 HH11 ARG A 18 51.704 10.762 9.790 1.00 0.00 H new ATOM 0 HH12 ARG A 18 50.940 12.209 9.124 1.00 0.00 H new ATOM 0 HH21 ARG A 18 51.216 11.133 5.810 1.00 0.00 H new ATOM 0 HH22 ARG A 18 50.666 12.417 6.891 1.00 0.00 H new ATOM 293 N GLU A 19 57.245 7.872 6.591 1.00 0.00 N ATOM 294 CA GLU A 19 58.449 7.542 7.382 1.00 0.00 C ATOM 295 C GLU A 19 59.366 6.720 6.485 1.00 0.00 C ATOM 296 O GLU A 19 60.552 6.599 6.721 1.00 0.00 O ATOM 297 CB GLU A 19 57.973 6.724 8.593 1.00 0.00 C ATOM 298 CG GLU A 19 56.758 5.861 8.235 1.00 0.00 C ATOM 299 CD GLU A 19 56.469 4.889 9.380 1.00 0.00 C ATOM 300 OE1 GLU A 19 57.301 4.033 9.626 1.00 0.00 O ATOM 301 OE2 GLU A 19 55.420 5.019 9.991 1.00 0.00 O ATOM 0 H GLU A 19 56.549 7.128 6.538 1.00 0.00 H new ATOM 0 HA GLU A 19 58.991 8.421 7.730 1.00 0.00 H new ATOM 0 HB2 GLU A 19 58.784 6.087 8.946 1.00 0.00 H new ATOM 0 HB3 GLU A 19 57.716 7.397 9.411 1.00 0.00 H new ATOM 0 HG2 GLU A 19 55.890 6.494 8.053 1.00 0.00 H new ATOM 0 HG3 GLU A 19 56.949 5.309 7.315 1.00 0.00 H new ATOM 308 N ILE A 20 58.816 6.193 5.421 1.00 0.00 N ATOM 309 CA ILE A 20 59.641 5.419 4.463 1.00 0.00 C ATOM 310 C ILE A 20 60.368 6.419 3.585 1.00 0.00 C ATOM 311 O ILE A 20 61.582 6.471 3.548 1.00 0.00 O ATOM 312 CB ILE A 20 58.660 4.617 3.625 1.00 0.00 C ATOM 313 CG1 ILE A 20 57.827 3.685 4.534 1.00 0.00 C ATOM 314 CG2 ILE A 20 59.441 3.831 2.570 1.00 0.00 C ATOM 315 CD1 ILE A 20 58.451 2.283 4.646 1.00 0.00 C ATOM 0 H ILE A 20 57.828 6.269 5.179 1.00 0.00 H new ATOM 0 HA ILE A 20 60.365 4.764 4.948 1.00 0.00 H new ATOM 0 HB ILE A 20 57.962 5.282 3.116 1.00 0.00 H new ATOM 0 HG12 ILE A 20 57.745 4.126 5.527 1.00 0.00 H new ATOM 0 HG13 ILE A 20 56.815 3.601 4.138 1.00 0.00 H new ATOM 0 HG21 ILE A 20 58.748 3.251 1.961 1.00 0.00 H new ATOM 0 HG22 ILE A 20 59.991 4.524 1.933 1.00 0.00 H new ATOM 0 HG23 ILE A 20 60.142 3.158 3.063 1.00 0.00 H new ATOM 0 HD11 ILE A 20 57.834 1.661 5.294 1.00 0.00 H new ATOM 0 HD12 ILE A 20 58.509 1.830 3.656 1.00 0.00 H new ATOM 0 HD13 ILE A 20 59.453 2.363 5.068 1.00 0.00 H new ATOM 327 N ARG A 21 59.623 7.259 2.912 1.00 0.00 N ATOM 328 CA ARG A 21 60.271 8.303 2.082 1.00 0.00 C ATOM 329 C ARG A 21 61.323 8.957 2.962 1.00 0.00 C ATOM 330 O ARG A 21 62.349 9.415 2.510 1.00 0.00 O ATOM 331 CB ARG A 21 59.154 9.294 1.741 1.00 0.00 C ATOM 332 CG ARG A 21 58.575 9.876 3.035 1.00 0.00 C ATOM 333 CD ARG A 21 59.476 11.005 3.545 1.00 0.00 C ATOM 334 NE ARG A 21 58.656 12.241 3.421 1.00 0.00 N ATOM 335 CZ ARG A 21 57.504 12.324 4.027 1.00 0.00 C ATOM 336 NH1 ARG A 21 57.450 12.659 5.287 1.00 0.00 N ATOM 337 NH2 ARG A 21 56.402 12.077 3.371 1.00 0.00 N ATOM 0 H ARG A 21 58.603 7.263 2.905 1.00 0.00 H new ATOM 0 HA ARG A 21 60.742 7.932 1.172 1.00 0.00 H new ATOM 0 HB2 ARG A 21 59.543 10.094 1.112 1.00 0.00 H new ATOM 0 HB3 ARG A 21 58.370 8.794 1.172 1.00 0.00 H new ATOM 0 HG2 ARG A 21 57.569 10.254 2.856 1.00 0.00 H new ATOM 0 HG3 ARG A 21 58.492 9.095 3.791 1.00 0.00 H new ATOM 0 HD2 ARG A 21 59.777 10.833 4.579 1.00 0.00 H new ATOM 0 HD3 ARG A 21 60.390 11.077 2.955 1.00 0.00 H new ATOM 0 HE ARG A 21 58.995 13.024 2.862 1.00 0.00 H new ATOM 0 HH11 ARG A 21 58.310 12.856 5.800 1.00 0.00 H new ATOM 0 HH12 ARG A 21 56.548 12.723 5.759 1.00 0.00 H new ATOM 0 HH21 ARG A 21 56.442 11.819 2.385 1.00 0.00 H new ATOM 0 HH22 ARG A 21 55.501 12.142 3.845 1.00 0.00 H new ATOM 351 N LYS A 22 61.046 8.964 4.238 1.00 0.00 N ATOM 352 CA LYS A 22 61.973 9.541 5.239 1.00 0.00 C ATOM 353 C LYS A 22 63.134 8.570 5.494 1.00 0.00 C ATOM 354 O LYS A 22 64.290 8.936 5.429 1.00 0.00 O ATOM 355 CB LYS A 22 61.105 9.685 6.496 1.00 0.00 C ATOM 356 CG LYS A 22 61.644 10.821 7.372 1.00 0.00 C ATOM 357 CD LYS A 22 62.999 10.424 7.965 1.00 0.00 C ATOM 358 CE LYS A 22 62.784 9.432 9.111 1.00 0.00 C ATOM 359 NZ LYS A 22 62.637 10.278 10.328 1.00 0.00 N ATOM 0 H LYS A 22 60.188 8.580 4.634 1.00 0.00 H new ATOM 0 HA LYS A 22 62.416 10.486 4.924 1.00 0.00 H new ATOM 0 HB2 LYS A 22 60.072 9.890 6.214 1.00 0.00 H new ATOM 0 HB3 LYS A 22 61.103 8.750 7.057 1.00 0.00 H new ATOM 0 HG2 LYS A 22 61.749 11.730 6.780 1.00 0.00 H new ATOM 0 HG3 LYS A 22 60.938 11.041 8.172 1.00 0.00 H new ATOM 0 HD2 LYS A 22 63.628 9.976 7.195 1.00 0.00 H new ATOM 0 HD3 LYS A 22 63.522 11.308 8.329 1.00 0.00 H new ATOM 0 HE2 LYS A 22 61.896 8.822 8.944 1.00 0.00 H new ATOM 0 HE3 LYS A 22 63.627 8.748 9.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 62.605 9.670 11.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 63.446 10.927 10.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 61.757 10.828 10.264 1.00 0.00 H new ATOM 373 N ALA A 23 62.826 7.336 5.791 1.00 0.00 N ATOM 374 CA ALA A 23 63.900 6.336 6.060 1.00 0.00 C ATOM 375 C ALA A 23 64.943 6.389 4.947 1.00 0.00 C ATOM 376 O ALA A 23 66.132 6.385 5.190 1.00 0.00 O ATOM 377 CB ALA A 23 63.184 4.986 6.074 1.00 0.00 C ATOM 0 H ALA A 23 61.874 6.976 5.859 1.00 0.00 H new ATOM 0 HA ALA A 23 64.425 6.522 6.997 1.00 0.00 H new ATOM 0 HB1 ALA A 23 63.907 4.193 6.266 1.00 0.00 H new ATOM 0 HB2 ALA A 23 62.426 4.984 6.857 1.00 0.00 H new ATOM 0 HB3 ALA A 23 62.708 4.817 5.108 1.00 0.00 H new ATOM 383 N TYR A 24 64.498 6.471 3.728 1.00 0.00 N ATOM 384 CA TYR A 24 65.442 6.565 2.594 1.00 0.00 C ATOM 385 C TYR A 24 66.067 7.951 2.643 1.00 0.00 C ATOM 386 O TYR A 24 67.253 8.129 2.474 1.00 0.00 O ATOM 387 CB TYR A 24 64.561 6.385 1.351 1.00 0.00 C ATOM 388 CG TYR A 24 65.410 6.339 0.102 1.00 0.00 C ATOM 389 CD1 TYR A 24 66.801 6.193 0.192 1.00 0.00 C ATOM 390 CD2 TYR A 24 64.799 6.453 -1.153 1.00 0.00 C ATOM 391 CE1 TYR A 24 67.576 6.161 -0.972 1.00 0.00 C ATOM 392 CE2 TYR A 24 65.574 6.419 -2.316 1.00 0.00 C ATOM 393 CZ TYR A 24 66.963 6.275 -2.226 1.00 0.00 C ATOM 394 OH TYR A 24 67.729 6.242 -3.372 1.00 0.00 O ATOM 0 H TYR A 24 63.511 6.477 3.470 1.00 0.00 H new ATOM 0 HA TYR A 24 66.248 5.831 2.605 1.00 0.00 H new ATOM 0 HB2 TYR A 24 63.982 5.465 1.438 1.00 0.00 H new ATOM 0 HB3 TYR A 24 63.847 7.206 1.282 1.00 0.00 H new ATOM 0 HD1 TYR A 24 67.274 6.105 1.159 1.00 0.00 H new ATOM 0 HD2 TYR A 24 63.727 6.567 -1.222 1.00 0.00 H new ATOM 0 HE1 TYR A 24 68.648 6.048 -0.904 1.00 0.00 H new ATOM 0 HE2 TYR A 24 65.101 6.504 -3.283 1.00 0.00 H new ATOM 0 HH TYR A 24 68.679 6.248 -3.131 1.00 0.00 H new ATOM 404 N LYS A 25 65.254 8.929 2.917 1.00 0.00 N ATOM 405 CA LYS A 25 65.744 10.325 3.027 1.00 0.00 C ATOM 406 C LYS A 25 66.883 10.411 4.044 1.00 0.00 C ATOM 407 O LYS A 25 67.914 10.997 3.790 1.00 0.00 O ATOM 408 CB LYS A 25 64.533 11.086 3.543 1.00 0.00 C ATOM 409 CG LYS A 25 64.151 12.184 2.552 1.00 0.00 C ATOM 410 CD LYS A 25 62.758 11.889 2.000 1.00 0.00 C ATOM 411 CE LYS A 25 62.206 13.131 1.297 1.00 0.00 C ATOM 412 NZ LYS A 25 61.470 13.876 2.355 1.00 0.00 N ATOM 0 H LYS A 25 64.252 8.816 3.072 1.00 0.00 H new ATOM 0 HA LYS A 25 66.131 10.714 2.085 1.00 0.00 H new ATOM 0 HB2 LYS A 25 63.695 10.403 3.683 1.00 0.00 H new ATOM 0 HB3 LYS A 25 64.754 11.523 4.517 1.00 0.00 H new ATOM 0 HG2 LYS A 25 64.163 13.157 3.044 1.00 0.00 H new ATOM 0 HG3 LYS A 25 64.877 12.228 1.740 1.00 0.00 H new ATOM 0 HD2 LYS A 25 62.803 11.054 1.301 1.00 0.00 H new ATOM 0 HD3 LYS A 25 62.091 11.591 2.809 1.00 0.00 H new ATOM 0 HE2 LYS A 25 63.009 13.735 0.874 1.00 0.00 H new ATOM 0 HE3 LYS A 25 61.545 12.858 0.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 60.492 14.045 2.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 61.463 13.317 3.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 61.940 14.787 2.529 1.00 0.00 H new ATOM 426 N ARG A 26 66.694 9.844 5.202 1.00 0.00 N ATOM 427 CA ARG A 26 67.755 9.904 6.245 1.00 0.00 C ATOM 428 C ARG A 26 69.113 9.511 5.653 1.00 0.00 C ATOM 429 O ARG A 26 70.073 10.252 5.729 1.00 0.00 O ATOM 430 CB ARG A 26 67.326 8.892 7.308 1.00 0.00 C ATOM 431 CG ARG A 26 65.934 9.257 7.831 1.00 0.00 C ATOM 432 CD ARG A 26 66.057 9.881 9.224 1.00 0.00 C ATOM 433 NE ARG A 26 66.480 11.287 8.976 1.00 0.00 N ATOM 434 CZ ARG A 26 67.052 11.974 9.928 1.00 0.00 C ATOM 435 NH1 ARG A 26 68.191 11.577 10.426 1.00 0.00 N ATOM 436 NH2 ARG A 26 66.487 13.061 10.379 1.00 0.00 N ATOM 0 H ARG A 26 65.849 9.341 5.472 1.00 0.00 H new ATOM 0 HA ARG A 26 67.867 10.908 6.655 1.00 0.00 H new ATOM 0 HB2 ARG A 26 67.315 7.887 6.885 1.00 0.00 H new ATOM 0 HB3 ARG A 26 68.044 8.885 8.128 1.00 0.00 H new ATOM 0 HG2 ARG A 26 65.450 9.957 7.149 1.00 0.00 H new ATOM 0 HG3 ARG A 26 65.306 8.367 7.874 1.00 0.00 H new ATOM 0 HD2 ARG A 26 65.109 9.842 9.760 1.00 0.00 H new ATOM 0 HD3 ARG A 26 66.789 9.349 9.832 1.00 0.00 H new ATOM 0 HE ARG A 26 66.323 11.713 8.063 1.00 0.00 H new ATOM 0 HH11 ARG A 26 68.635 10.730 10.072 1.00 0.00 H new ATOM 0 HH12 ARG A 26 68.637 12.114 11.170 1.00 0.00 H new ATOM 0 HH21 ARG A 26 65.598 13.374 9.988 1.00 0.00 H new ATOM 0 HH22 ARG A 26 66.934 13.597 11.123 1.00 0.00 H new ATOM 450 N LEU A 27 69.199 8.351 5.066 1.00 0.00 N ATOM 451 CA LEU A 27 70.488 7.910 4.468 1.00 0.00 C ATOM 452 C LEU A 27 70.680 8.564 3.106 1.00 0.00 C ATOM 453 O LEU A 27 71.780 8.869 2.701 1.00 0.00 O ATOM 454 CB LEU A 27 70.365 6.390 4.322 1.00 0.00 C ATOM 455 CG LEU A 27 69.525 6.038 3.094 1.00 0.00 C ATOM 456 CD1 LEU A 27 70.408 6.047 1.844 1.00 0.00 C ATOM 457 CD2 LEU A 27 68.917 4.646 3.275 1.00 0.00 C ATOM 0 H LEU A 27 68.430 7.688 4.975 1.00 0.00 H new ATOM 0 HA LEU A 27 71.345 8.188 5.082 1.00 0.00 H new ATOM 0 HB2 LEU A 27 71.356 5.946 4.232 1.00 0.00 H new ATOM 0 HB3 LEU A 27 69.907 5.968 5.217 1.00 0.00 H new ATOM 0 HG LEU A 27 68.729 6.774 2.980 1.00 0.00 H new ATOM 0 HD11 LEU A 27 69.806 5.796 0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 27 70.842 7.038 1.712 1.00 0.00 H new ATOM 0 HD13 LEU A 27 71.206 5.314 1.957 1.00 0.00 H new ATOM 0 HD21 LEU A 27 68.318 4.394 2.400 1.00 0.00 H new ATOM 0 HD22 LEU A 27 69.715 3.913 3.392 1.00 0.00 H new ATOM 0 HD23 LEU A 27 68.284 4.638 4.163 1.00 0.00 H new ATOM 469 N ALA A 28 69.607 8.768 2.398 1.00 0.00 N ATOM 470 CA ALA A 28 69.705 9.381 1.053 1.00 0.00 C ATOM 471 C ALA A 28 70.093 10.845 1.174 1.00 0.00 C ATOM 472 O ALA A 28 70.894 11.346 0.410 1.00 0.00 O ATOM 473 CB ALA A 28 68.309 9.214 0.460 1.00 0.00 C ATOM 0 H ALA A 28 68.661 8.534 2.698 1.00 0.00 H new ATOM 0 HA ALA A 28 70.466 8.919 0.425 1.00 0.00 H new ATOM 0 HB1 ALA A 28 68.286 9.642 -0.542 1.00 0.00 H new ATOM 0 HB2 ALA A 28 68.060 8.154 0.408 1.00 0.00 H new ATOM 0 HB3 ALA A 28 67.582 9.727 1.090 1.00 0.00 H new ATOM 479 N MET A 29 69.569 11.536 2.143 1.00 0.00 N ATOM 480 CA MET A 29 69.970 12.952 2.297 1.00 0.00 C ATOM 481 C MET A 29 71.437 12.963 2.711 1.00 0.00 C ATOM 482 O MET A 29 72.179 13.878 2.416 1.00 0.00 O ATOM 483 CB MET A 29 69.064 13.529 3.390 1.00 0.00 C ATOM 484 CG MET A 29 69.548 13.070 4.765 1.00 0.00 C ATOM 485 SD MET A 29 68.611 13.930 6.053 1.00 0.00 S ATOM 486 CE MET A 29 70.022 14.690 6.893 1.00 0.00 C ATOM 0 H MET A 29 68.893 11.188 2.822 1.00 0.00 H new ATOM 0 HA MET A 29 69.867 13.544 1.388 1.00 0.00 H new ATOM 0 HB2 MET A 29 69.067 14.618 3.339 1.00 0.00 H new ATOM 0 HB3 MET A 29 68.036 13.205 3.230 1.00 0.00 H new ATOM 0 HG2 MET A 29 69.421 11.992 4.866 1.00 0.00 H new ATOM 0 HG3 MET A 29 70.612 13.277 4.875 1.00 0.00 H new ATOM 0 HE1 MET A 29 70.241 14.139 7.807 1.00 0.00 H new ATOM 0 HE2 MET A 29 70.892 14.666 6.237 1.00 0.00 H new ATOM 0 HE3 MET A 29 69.784 15.724 7.141 1.00 0.00 H new ATOM 496 N LYS A 30 71.856 11.920 3.376 1.00 0.00 N ATOM 497 CA LYS A 30 73.279 11.818 3.796 1.00 0.00 C ATOM 498 C LYS A 30 74.098 11.124 2.700 1.00 0.00 C ATOM 499 O LYS A 30 75.310 11.190 2.685 1.00 0.00 O ATOM 500 CB LYS A 30 73.260 10.973 5.069 1.00 0.00 C ATOM 501 CG LYS A 30 73.175 11.892 6.290 1.00 0.00 C ATOM 502 CD LYS A 30 72.059 11.406 7.217 1.00 0.00 C ATOM 503 CE LYS A 30 72.514 11.525 8.674 1.00 0.00 C ATOM 504 NZ LYS A 30 72.344 12.965 9.016 1.00 0.00 N ATOM 0 H LYS A 30 71.269 11.131 3.647 1.00 0.00 H new ATOM 0 HA LYS A 30 73.733 12.794 3.967 1.00 0.00 H new ATOM 0 HB2 LYS A 30 72.409 10.292 5.053 1.00 0.00 H new ATOM 0 HB3 LYS A 30 74.159 10.359 5.124 1.00 0.00 H new ATOM 0 HG2 LYS A 30 74.127 11.898 6.821 1.00 0.00 H new ATOM 0 HG3 LYS A 30 72.980 12.917 5.974 1.00 0.00 H new ATOM 0 HD2 LYS A 30 71.157 11.997 7.058 1.00 0.00 H new ATOM 0 HD3 LYS A 30 71.807 10.371 6.988 1.00 0.00 H new ATOM 0 HE2 LYS A 30 71.915 10.891 9.327 1.00 0.00 H new ATOM 0 HE3 LYS A 30 73.552 11.212 8.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 73.156 13.286 9.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 72.289 13.525 8.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 71.469 13.091 9.564 1.00 0.00 H new ATOM 518 N TYR A 31 73.444 10.449 1.784 1.00 0.00 N ATOM 519 CA TYR A 31 74.202 9.747 0.698 1.00 0.00 C ATOM 520 C TYR A 31 74.063 10.480 -0.627 1.00 0.00 C ATOM 521 O TYR A 31 74.487 10.006 -1.660 1.00 0.00 O ATOM 522 CB TYR A 31 73.590 8.357 0.594 1.00 0.00 C ATOM 523 CG TYR A 31 74.339 7.412 1.503 1.00 0.00 C ATOM 524 CD1 TYR A 31 74.977 7.903 2.651 1.00 0.00 C ATOM 525 CD2 TYR A 31 74.398 6.047 1.201 1.00 0.00 C ATOM 526 CE1 TYR A 31 75.672 7.029 3.494 1.00 0.00 C ATOM 527 CE2 TYR A 31 75.095 5.174 2.045 1.00 0.00 C ATOM 528 CZ TYR A 31 75.732 5.665 3.192 1.00 0.00 C ATOM 529 OH TYR A 31 76.419 4.802 4.022 1.00 0.00 O ATOM 0 H TYR A 31 72.429 10.354 1.740 1.00 0.00 H new ATOM 0 HA TYR A 31 75.267 9.707 0.927 1.00 0.00 H new ATOM 0 HB2 TYR A 31 72.537 8.389 0.873 1.00 0.00 H new ATOM 0 HB3 TYR A 31 73.637 8.003 -0.436 1.00 0.00 H new ATOM 0 HD1 TYR A 31 74.932 8.956 2.885 1.00 0.00 H new ATOM 0 HD2 TYR A 31 73.906 5.667 0.318 1.00 0.00 H new ATOM 0 HE1 TYR A 31 76.162 7.408 4.378 1.00 0.00 H new ATOM 0 HE2 TYR A 31 75.142 4.121 1.811 1.00 0.00 H new ATOM 0 HH TYR A 31 76.360 3.890 3.667 1.00 0.00 H new ATOM 539 N HIS A 32 73.484 11.631 -0.584 1.00 0.00 N ATOM 540 CA HIS A 32 73.312 12.460 -1.804 1.00 0.00 C ATOM 541 C HIS A 32 74.687 12.706 -2.456 1.00 0.00 C ATOM 542 O HIS A 32 75.529 11.838 -2.392 1.00 0.00 O ATOM 543 CB HIS A 32 72.649 13.692 -1.211 1.00 0.00 C ATOM 544 CG HIS A 32 73.622 14.372 -0.288 1.00 0.00 C ATOM 545 ND1 HIS A 32 73.683 15.746 -0.159 1.00 0.00 N ATOM 546 CD2 HIS A 32 74.582 13.871 0.559 1.00 0.00 C ATOM 547 CE1 HIS A 32 74.649 16.029 0.735 1.00 0.00 C ATOM 548 NE2 HIS A 32 75.229 14.921 1.204 1.00 0.00 N ATOM 0 H HIS A 32 73.110 12.050 0.267 1.00 0.00 H new ATOM 0 HA HIS A 32 72.723 12.035 -2.617 1.00 0.00 H new ATOM 0 HB2 HIS A 32 72.342 14.374 -2.004 1.00 0.00 H new ATOM 0 HB3 HIS A 32 71.748 13.410 -0.667 1.00 0.00 H new ATOM 0 HD2 HIS A 32 74.801 12.823 0.702 1.00 0.00 H new ATOM 0 HE1 HIS A 32 74.922 17.030 1.036 1.00 0.00 H new ATOM 0 HE2 HIS A 32 75.983 14.858 1.888 1.00 0.00 H new ATOM 556 N PRO A 33 74.911 13.833 -3.089 1.00 0.00 N ATOM 557 CA PRO A 33 76.229 14.035 -3.736 1.00 0.00 C ATOM 558 C PRO A 33 77.341 14.151 -2.688 1.00 0.00 C ATOM 559 O PRO A 33 78.130 15.075 -2.692 1.00 0.00 O ATOM 560 CB PRO A 33 76.048 15.310 -4.548 1.00 0.00 C ATOM 561 CG PRO A 33 74.923 16.029 -3.888 1.00 0.00 C ATOM 562 CD PRO A 33 74.033 14.995 -3.271 1.00 0.00 C ATOM 0 HA PRO A 33 76.533 13.200 -4.367 1.00 0.00 H new ATOM 0 HB2 PRO A 33 76.957 15.912 -4.546 1.00 0.00 H new ATOM 0 HB3 PRO A 33 75.817 15.086 -5.589 1.00 0.00 H new ATOM 0 HG2 PRO A 33 75.298 16.715 -3.129 1.00 0.00 H new ATOM 0 HG3 PRO A 33 74.371 16.627 -4.613 1.00 0.00 H new ATOM 0 HD2 PRO A 33 73.622 15.337 -2.321 1.00 0.00 H new ATOM 0 HD3 PRO A 33 73.188 14.759 -3.917 1.00 0.00 H new ATOM 570 N ASP A 34 77.418 13.181 -1.816 1.00 0.00 N ATOM 571 CA ASP A 34 78.480 13.160 -0.776 1.00 0.00 C ATOM 572 C ASP A 34 79.432 12.011 -1.116 1.00 0.00 C ATOM 573 O ASP A 34 80.637 12.117 -0.995 1.00 0.00 O ATOM 574 CB ASP A 34 77.729 12.922 0.554 1.00 0.00 C ATOM 575 CG ASP A 34 78.189 11.623 1.233 1.00 0.00 C ATOM 576 OD1 ASP A 34 79.171 11.669 1.954 1.00 0.00 O ATOM 577 OD2 ASP A 34 77.548 10.608 1.017 1.00 0.00 O ATOM 0 H ASP A 34 76.776 12.389 -1.783 1.00 0.00 H new ATOM 0 HA ASP A 34 79.073 14.073 -0.713 1.00 0.00 H new ATOM 0 HB2 ASP A 34 77.898 13.764 1.225 1.00 0.00 H new ATOM 0 HB3 ASP A 34 76.657 12.875 0.365 1.00 0.00 H new ATOM 582 N ARG A 35 78.877 10.914 -1.558 1.00 0.00 N ATOM 583 CA ARG A 35 79.702 9.740 -1.932 1.00 0.00 C ATOM 584 C ARG A 35 79.146 9.109 -3.214 1.00 0.00 C ATOM 585 O ARG A 35 79.874 8.531 -3.996 1.00 0.00 O ATOM 586 CB ARG A 35 79.564 8.776 -0.756 1.00 0.00 C ATOM 587 CG ARG A 35 78.086 8.443 -0.550 1.00 0.00 C ATOM 588 CD ARG A 35 77.665 7.376 -1.556 1.00 0.00 C ATOM 589 NE ARG A 35 77.272 6.197 -0.734 1.00 0.00 N ATOM 590 CZ ARG A 35 78.187 5.384 -0.275 1.00 0.00 C ATOM 591 NH1 ARG A 35 78.879 5.709 0.782 1.00 0.00 N ATOM 592 NH2 ARG A 35 78.409 4.244 -0.872 1.00 0.00 N ATOM 0 H ARG A 35 77.872 10.785 -1.676 1.00 0.00 H new ATOM 0 HA ARG A 35 80.743 9.999 -2.124 1.00 0.00 H new ATOM 0 HB2 ARG A 35 80.131 7.865 -0.948 1.00 0.00 H new ATOM 0 HB3 ARG A 35 79.978 9.224 0.148 1.00 0.00 H new ATOM 0 HG2 ARG A 35 77.920 8.087 0.467 1.00 0.00 H new ATOM 0 HG3 ARG A 35 77.478 9.339 -0.677 1.00 0.00 H new ATOM 0 HD2 ARG A 35 76.834 7.721 -2.172 1.00 0.00 H new ATOM 0 HD3 ARG A 35 78.483 7.129 -2.233 1.00 0.00 H new ATOM 0 HE ARG A 35 76.288 6.024 -0.529 1.00 0.00 H new ATOM 0 HH11 ARG A 35 78.706 6.598 1.251 1.00 0.00 H new ATOM 0 HH12 ARG A 35 79.593 5.074 1.139 1.00 0.00 H new ATOM 0 HH21 ARG A 35 77.868 3.987 -1.698 1.00 0.00 H new ATOM 0 HH22 ARG A 35 79.123 3.611 -0.513 1.00 0.00 H new ATOM 606 N ASN A 36 77.855 9.208 -3.438 1.00 0.00 N ATOM 607 CA ASN A 36 77.271 8.608 -4.667 1.00 0.00 C ATOM 608 C ASN A 36 78.155 8.926 -5.874 1.00 0.00 C ATOM 609 O ASN A 36 78.191 8.192 -6.841 1.00 0.00 O ATOM 610 CB ASN A 36 75.898 9.265 -4.806 1.00 0.00 C ATOM 611 CG ASN A 36 74.812 8.287 -4.358 1.00 0.00 C ATOM 612 OD1 ASN A 36 74.864 7.114 -4.674 1.00 0.00 O ATOM 613 ND2 ASN A 36 73.821 8.724 -3.629 1.00 0.00 N ATOM 0 H ASN A 36 77.190 9.677 -2.823 1.00 0.00 H new ATOM 0 HA ASN A 36 77.196 7.522 -4.611 1.00 0.00 H new ATOM 0 HB2 ASN A 36 75.855 10.172 -4.203 1.00 0.00 H new ATOM 0 HB3 ASN A 36 75.729 9.562 -5.841 1.00 0.00 H new ATOM 0 HD21 ASN A 36 73.090 8.081 -3.324 1.00 0.00 H new ATOM 0 HD22 ASN A 36 73.778 9.708 -3.364 1.00 0.00 H new ATOM 620 N GLN A 37 78.880 10.011 -5.817 1.00 0.00 N ATOM 621 CA GLN A 37 79.773 10.370 -6.956 1.00 0.00 C ATOM 622 C GLN A 37 80.852 9.297 -7.121 1.00 0.00 C ATOM 623 O GLN A 37 81.557 9.253 -8.110 1.00 0.00 O ATOM 624 CB GLN A 37 80.394 11.711 -6.564 1.00 0.00 C ATOM 625 CG GLN A 37 79.299 12.648 -6.051 1.00 0.00 C ATOM 626 CD GLN A 37 79.427 14.014 -6.728 1.00 0.00 C ATOM 627 OE1 GLN A 37 78.696 14.320 -7.648 1.00 0.00 O ATOM 628 NE2 GLN A 37 80.332 14.857 -6.309 1.00 0.00 N ATOM 0 H GLN A 37 78.892 10.663 -5.033 1.00 0.00 H new ATOM 0 HA GLN A 37 79.240 10.437 -7.905 1.00 0.00 H new ATOM 0 HB2 GLN A 37 81.151 11.562 -5.794 1.00 0.00 H new ATOM 0 HB3 GLN A 37 80.896 12.157 -7.423 1.00 0.00 H new ATOM 0 HG2 GLN A 37 78.317 12.221 -6.255 1.00 0.00 H new ATOM 0 HG3 GLN A 37 79.380 12.759 -4.970 1.00 0.00 H new ATOM 0 HE21 GLN A 37 80.947 14.602 -5.536 1.00 0.00 H new ATOM 0 HE22 GLN A 37 80.424 15.770 -6.754 1.00 0.00 H new ATOM 637 N GLY A 38 80.978 8.425 -6.158 1.00 0.00 N ATOM 638 CA GLY A 38 81.999 7.344 -6.249 1.00 0.00 C ATOM 639 C GLY A 38 81.322 5.998 -5.995 1.00 0.00 C ATOM 640 O GLY A 38 81.918 5.074 -5.480 1.00 0.00 O ATOM 0 H GLY A 38 80.414 8.415 -5.308 1.00 0.00 H new ATOM 0 HA2 GLY A 38 82.467 7.350 -7.233 1.00 0.00 H new ATOM 0 HA3 GLY A 38 82.791 7.511 -5.518 1.00 0.00 H new ATOM 644 N ASP A 39 80.070 5.889 -6.346 1.00 0.00 N ATOM 645 CA ASP A 39 79.325 4.613 -6.127 1.00 0.00 C ATOM 646 C ASP A 39 80.188 3.401 -6.489 1.00 0.00 C ATOM 647 O ASP A 39 80.501 3.169 -7.639 1.00 0.00 O ATOM 648 CB ASP A 39 78.114 4.696 -7.056 1.00 0.00 C ATOM 649 CG ASP A 39 78.541 5.267 -8.410 1.00 0.00 C ATOM 650 OD1 ASP A 39 78.817 6.453 -8.469 1.00 0.00 O ATOM 651 OD2 ASP A 39 78.584 4.508 -9.364 1.00 0.00 O ATOM 0 H ASP A 39 79.525 6.635 -6.779 1.00 0.00 H new ATOM 0 HA ASP A 39 79.040 4.490 -5.082 1.00 0.00 H new ATOM 0 HB2 ASP A 39 77.677 3.706 -7.189 1.00 0.00 H new ATOM 0 HB3 ASP A 39 77.345 5.327 -6.611 1.00 0.00 H new ATOM 656 N LYS A 40 80.564 2.621 -5.511 1.00 0.00 N ATOM 657 CA LYS A 40 81.394 1.415 -5.789 1.00 0.00 C ATOM 658 C LYS A 40 80.501 0.218 -6.106 1.00 0.00 C ATOM 659 O LYS A 40 80.878 -0.676 -6.836 1.00 0.00 O ATOM 660 CB LYS A 40 82.178 1.168 -4.499 1.00 0.00 C ATOM 661 CG LYS A 40 83.534 0.541 -4.838 1.00 0.00 C ATOM 662 CD LYS A 40 84.631 1.221 -4.017 1.00 0.00 C ATOM 663 CE LYS A 40 85.168 2.433 -4.782 1.00 0.00 C ATOM 664 NZ LYS A 40 86.614 2.145 -4.990 1.00 0.00 N ATOM 0 H LYS A 40 80.331 2.768 -4.529 1.00 0.00 H new ATOM 0 HA LYS A 40 82.051 1.557 -6.647 1.00 0.00 H new ATOM 0 HB2 LYS A 40 82.323 2.106 -3.963 1.00 0.00 H new ATOM 0 HB3 LYS A 40 81.615 0.508 -3.839 1.00 0.00 H new ATOM 0 HG2 LYS A 40 83.516 -0.528 -4.625 1.00 0.00 H new ATOM 0 HG3 LYS A 40 83.741 0.650 -5.903 1.00 0.00 H new ATOM 0 HD2 LYS A 40 84.235 1.534 -3.051 1.00 0.00 H new ATOM 0 HD3 LYS A 40 85.439 0.517 -3.817 1.00 0.00 H new ATOM 0 HE2 LYS A 40 84.650 2.561 -5.732 1.00 0.00 H new ATOM 0 HE3 LYS A 40 85.026 3.353 -4.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 87.054 2.932 -5.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 87.082 2.034 -4.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 86.718 1.268 -5.539 1.00 0.00 H new ATOM 678 N GLU A 41 79.326 0.184 -5.544 1.00 0.00 N ATOM 679 CA GLU A 41 78.408 -0.968 -5.787 1.00 0.00 C ATOM 680 C GLU A 41 77.200 -0.859 -4.857 1.00 0.00 C ATOM 681 O GLU A 41 76.090 -1.193 -5.223 1.00 0.00 O ATOM 682 CB GLU A 41 79.237 -2.208 -5.447 1.00 0.00 C ATOM 683 CG GLU A 41 80.038 -1.940 -4.171 1.00 0.00 C ATOM 684 CD GLU A 41 80.626 -3.252 -3.648 1.00 0.00 C ATOM 685 OE1 GLU A 41 79.956 -3.910 -2.870 1.00 0.00 O ATOM 686 OE2 GLU A 41 81.736 -3.578 -4.037 1.00 0.00 O ATOM 0 H GLU A 41 78.958 0.906 -4.924 1.00 0.00 H new ATOM 0 HA GLU A 41 78.031 -1.001 -6.809 1.00 0.00 H new ATOM 0 HB2 GLU A 41 78.585 -3.070 -5.307 1.00 0.00 H new ATOM 0 HB3 GLU A 41 79.910 -2.448 -6.270 1.00 0.00 H new ATOM 0 HG2 GLU A 41 80.837 -1.227 -4.374 1.00 0.00 H new ATOM 0 HG3 GLU A 41 79.395 -1.491 -3.414 1.00 0.00 H new ATOM 693 N ALA A 42 77.402 -0.363 -3.665 1.00 0.00 N ATOM 694 CA ALA A 42 76.257 -0.201 -2.730 1.00 0.00 C ATOM 695 C ALA A 42 75.246 0.750 -3.365 1.00 0.00 C ATOM 696 O ALA A 42 74.112 0.845 -2.939 1.00 0.00 O ATOM 697 CB ALA A 42 76.855 0.408 -1.461 1.00 0.00 C ATOM 0 H ALA A 42 78.307 -0.065 -3.302 1.00 0.00 H new ATOM 0 HA ALA A 42 75.745 -1.138 -2.509 1.00 0.00 H new ATOM 0 HB1 ALA A 42 76.067 0.557 -0.723 1.00 0.00 H new ATOM 0 HB2 ALA A 42 77.610 -0.265 -1.055 1.00 0.00 H new ATOM 0 HB3 ALA A 42 77.315 1.367 -1.699 1.00 0.00 H new ATOM 703 N GLU A 43 75.664 1.451 -4.391 1.00 0.00 N ATOM 704 CA GLU A 43 74.747 2.404 -5.088 1.00 0.00 C ATOM 705 C GLU A 43 73.333 1.869 -5.113 1.00 0.00 C ATOM 706 O GLU A 43 72.389 2.523 -4.723 1.00 0.00 O ATOM 707 CB GLU A 43 75.226 2.452 -6.530 1.00 0.00 C ATOM 708 CG GLU A 43 74.389 3.472 -7.305 1.00 0.00 C ATOM 709 CD GLU A 43 75.308 4.359 -8.146 1.00 0.00 C ATOM 710 OE1 GLU A 43 75.742 3.905 -9.192 1.00 0.00 O ATOM 711 OE2 GLU A 43 75.563 5.478 -7.731 1.00 0.00 O ATOM 0 H GLU A 43 76.607 1.403 -4.777 1.00 0.00 H new ATOM 0 HA GLU A 43 74.754 3.371 -4.585 1.00 0.00 H new ATOM 0 HB2 GLU A 43 76.280 2.726 -6.567 1.00 0.00 H new ATOM 0 HB3 GLU A 43 75.137 1.467 -6.988 1.00 0.00 H new ATOM 0 HG2 GLU A 43 73.675 2.958 -7.948 1.00 0.00 H new ATOM 0 HG3 GLU A 43 73.811 4.084 -6.613 1.00 0.00 H new ATOM 718 N ALA A 44 73.186 0.692 -5.627 1.00 0.00 N ATOM 719 CA ALA A 44 71.841 0.112 -5.747 1.00 0.00 C ATOM 720 C ALA A 44 71.111 0.154 -4.409 1.00 0.00 C ATOM 721 O ALA A 44 70.023 0.676 -4.312 1.00 0.00 O ATOM 722 CB ALA A 44 72.059 -1.326 -6.216 1.00 0.00 C ATOM 0 H ALA A 44 73.946 0.105 -5.971 1.00 0.00 H new ATOM 0 HA ALA A 44 71.219 0.669 -6.448 1.00 0.00 H new ATOM 0 HB1 ALA A 44 71.095 -1.822 -6.328 1.00 0.00 H new ATOM 0 HB2 ALA A 44 72.578 -1.321 -7.174 1.00 0.00 H new ATOM 0 HB3 ALA A 44 72.660 -1.861 -5.481 1.00 0.00 H new ATOM 728 N LYS A 45 71.690 -0.385 -3.374 1.00 0.00 N ATOM 729 CA LYS A 45 70.990 -0.348 -2.064 1.00 0.00 C ATOM 730 C LYS A 45 70.452 1.060 -1.814 1.00 0.00 C ATOM 731 O LYS A 45 69.496 1.247 -1.092 1.00 0.00 O ATOM 732 CB LYS A 45 72.030 -0.711 -1.010 1.00 0.00 C ATOM 733 CG LYS A 45 71.458 -0.383 0.372 1.00 0.00 C ATOM 734 CD LYS A 45 72.422 -0.873 1.456 1.00 0.00 C ATOM 735 CE LYS A 45 72.247 -0.026 2.718 1.00 0.00 C ATOM 736 NZ LYS A 45 71.726 -0.971 3.745 1.00 0.00 N ATOM 0 H LYS A 45 72.602 -0.842 -3.377 1.00 0.00 H new ATOM 0 HA LYS A 45 70.148 -1.040 -2.036 1.00 0.00 H new ATOM 0 HB2 LYS A 45 72.281 -1.770 -1.074 1.00 0.00 H new ATOM 0 HB3 LYS A 45 72.952 -0.154 -1.180 1.00 0.00 H new ATOM 0 HG2 LYS A 45 71.304 0.692 0.467 1.00 0.00 H new ATOM 0 HG3 LYS A 45 70.484 -0.857 0.496 1.00 0.00 H new ATOM 0 HD2 LYS A 45 72.230 -1.922 1.680 1.00 0.00 H new ATOM 0 HD3 LYS A 45 73.450 -0.806 1.100 1.00 0.00 H new ATOM 0 HE2 LYS A 45 73.193 0.416 3.031 1.00 0.00 H new ATOM 0 HE3 LYS A 45 71.552 0.796 2.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 71.580 -0.464 4.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 70.822 -1.371 3.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 72.412 -1.739 3.890 1.00 0.00 H new ATOM 750 N PHE A 46 71.056 2.053 -2.414 1.00 0.00 N ATOM 751 CA PHE A 46 70.567 3.445 -2.209 1.00 0.00 C ATOM 752 C PHE A 46 69.268 3.654 -2.983 1.00 0.00 C ATOM 753 O PHE A 46 68.285 4.115 -2.442 1.00 0.00 O ATOM 754 CB PHE A 46 71.671 4.359 -2.746 1.00 0.00 C ATOM 755 CG PHE A 46 73.005 3.976 -2.142 1.00 0.00 C ATOM 756 CD1 PHE A 46 73.063 3.130 -1.026 1.00 0.00 C ATOM 757 CD2 PHE A 46 74.186 4.474 -2.702 1.00 0.00 C ATOM 758 CE1 PHE A 46 74.302 2.783 -0.473 1.00 0.00 C ATOM 759 CE2 PHE A 46 75.425 4.126 -2.150 1.00 0.00 C ATOM 760 CZ PHE A 46 75.483 3.282 -1.035 1.00 0.00 C ATOM 0 H PHE A 46 71.861 1.959 -3.033 1.00 0.00 H new ATOM 0 HA PHE A 46 70.358 3.656 -1.160 1.00 0.00 H new ATOM 0 HB2 PHE A 46 71.720 4.283 -3.832 1.00 0.00 H new ATOM 0 HB3 PHE A 46 71.441 5.398 -2.509 1.00 0.00 H new ATOM 0 HD1 PHE A 46 72.152 2.746 -0.592 1.00 0.00 H new ATOM 0 HD2 PHE A 46 74.142 5.127 -3.561 1.00 0.00 H new ATOM 0 HE1 PHE A 46 74.346 2.131 0.387 1.00 0.00 H new ATOM 0 HE2 PHE A 46 76.336 4.509 -2.585 1.00 0.00 H new ATOM 0 HZ PHE A 46 76.439 3.016 -0.608 1.00 0.00 H new ATOM 770 N LYS A 47 69.233 3.305 -4.241 1.00 0.00 N ATOM 771 CA LYS A 47 67.966 3.484 -5.002 1.00 0.00 C ATOM 772 C LYS A 47 67.098 2.236 -4.821 1.00 0.00 C ATOM 773 O LYS A 47 65.922 2.229 -5.122 1.00 0.00 O ATOM 774 CB LYS A 47 68.398 3.704 -6.465 1.00 0.00 C ATOM 775 CG LYS A 47 68.116 2.461 -7.318 1.00 0.00 C ATOM 776 CD LYS A 47 68.964 1.294 -6.815 1.00 0.00 C ATOM 777 CE LYS A 47 69.562 0.552 -8.015 1.00 0.00 C ATOM 778 NZ LYS A 47 68.405 0.265 -8.911 1.00 0.00 N ATOM 0 H LYS A 47 70.013 2.910 -4.766 1.00 0.00 H new ATOM 0 HA LYS A 47 67.365 4.328 -4.662 1.00 0.00 H new ATOM 0 HB2 LYS A 47 67.867 4.561 -6.879 1.00 0.00 H new ATOM 0 HB3 LYS A 47 69.461 3.940 -6.502 1.00 0.00 H new ATOM 0 HG2 LYS A 47 67.058 2.204 -7.267 1.00 0.00 H new ATOM 0 HG3 LYS A 47 68.344 2.666 -8.364 1.00 0.00 H new ATOM 0 HD2 LYS A 47 69.759 1.660 -6.165 1.00 0.00 H new ATOM 0 HD3 LYS A 47 68.353 0.615 -6.220 1.00 0.00 H new ATOM 0 HE2 LYS A 47 70.311 1.161 -8.521 1.00 0.00 H new ATOM 0 HE3 LYS A 47 70.057 -0.368 -7.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 68.578 -0.620 -9.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 67.540 0.169 -8.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 68.289 1.045 -9.588 1.00 0.00 H new ATOM 792 N GLU A 48 67.674 1.193 -4.294 1.00 0.00 N ATOM 793 CA GLU A 48 66.901 -0.048 -4.044 1.00 0.00 C ATOM 794 C GLU A 48 65.829 0.300 -3.038 1.00 0.00 C ATOM 795 O GLU A 48 64.717 -0.188 -3.068 1.00 0.00 O ATOM 796 CB GLU A 48 67.908 -1.017 -3.432 1.00 0.00 C ATOM 797 CG GLU A 48 68.662 -1.745 -4.544 1.00 0.00 C ATOM 798 CD GLU A 48 67.935 -3.045 -4.894 1.00 0.00 C ATOM 799 OE1 GLU A 48 68.030 -3.981 -4.118 1.00 0.00 O ATOM 800 OE2 GLU A 48 67.295 -3.081 -5.931 1.00 0.00 O ATOM 0 H GLU A 48 68.657 1.150 -4.024 1.00 0.00 H new ATOM 0 HA GLU A 48 66.435 -0.475 -4.932 1.00 0.00 H new ATOM 0 HB2 GLU A 48 68.610 -0.475 -2.798 1.00 0.00 H new ATOM 0 HB3 GLU A 48 67.394 -1.737 -2.796 1.00 0.00 H new ATOM 0 HG2 GLU A 48 68.733 -1.108 -5.426 1.00 0.00 H new ATOM 0 HG3 GLU A 48 69.681 -1.962 -4.224 1.00 0.00 H new ATOM 807 N ILE A 49 66.180 1.184 -2.159 1.00 0.00 N ATOM 808 CA ILE A 49 65.222 1.651 -1.128 1.00 0.00 C ATOM 809 C ILE A 49 64.013 2.243 -1.824 1.00 0.00 C ATOM 810 O ILE A 49 62.879 1.931 -1.521 1.00 0.00 O ATOM 811 CB ILE A 49 65.979 2.736 -0.381 1.00 0.00 C ATOM 812 CG1 ILE A 49 67.148 2.099 0.357 1.00 0.00 C ATOM 813 CG2 ILE A 49 65.058 3.434 0.613 1.00 0.00 C ATOM 814 CD1 ILE A 49 68.350 3.040 0.338 1.00 0.00 C ATOM 0 H ILE A 49 67.105 1.611 -2.109 1.00 0.00 H new ATOM 0 HA ILE A 49 64.875 0.860 -0.464 1.00 0.00 H new ATOM 0 HB ILE A 49 66.347 3.478 -1.090 1.00 0.00 H new ATOM 0 HG12 ILE A 49 66.863 1.879 1.386 1.00 0.00 H new ATOM 0 HG13 ILE A 49 67.411 1.150 -0.110 1.00 0.00 H new ATOM 0 HG21 ILE A 49 65.613 4.209 1.141 1.00 0.00 H new ATOM 0 HG22 ILE A 49 64.222 3.886 0.079 1.00 0.00 H new ATOM 0 HG23 ILE A 49 64.679 2.706 1.331 1.00 0.00 H new ATOM 0 HD11 ILE A 49 69.183 2.577 0.868 1.00 0.00 H new ATOM 0 HD12 ILE A 49 68.641 3.237 -0.694 1.00 0.00 H new ATOM 0 HD13 ILE A 49 68.085 3.978 0.826 1.00 0.00 H new ATOM 826 N LYS A 50 64.265 3.093 -2.769 1.00 0.00 N ATOM 827 CA LYS A 50 63.142 3.721 -3.514 1.00 0.00 C ATOM 828 C LYS A 50 62.102 2.648 -3.860 1.00 0.00 C ATOM 829 O LYS A 50 60.916 2.904 -3.902 1.00 0.00 O ATOM 830 CB LYS A 50 63.774 4.290 -4.786 1.00 0.00 C ATOM 831 CG LYS A 50 62.978 5.511 -5.250 1.00 0.00 C ATOM 832 CD LYS A 50 63.029 5.606 -6.778 1.00 0.00 C ATOM 833 CE LYS A 50 62.519 6.979 -7.221 1.00 0.00 C ATOM 834 NZ LYS A 50 62.790 7.037 -8.685 1.00 0.00 N ATOM 0 H LYS A 50 65.198 3.383 -3.061 1.00 0.00 H new ATOM 0 HA LYS A 50 62.635 4.496 -2.939 1.00 0.00 H new ATOM 0 HB2 LYS A 50 64.810 4.569 -4.596 1.00 0.00 H new ATOM 0 HB3 LYS A 50 63.786 3.532 -5.569 1.00 0.00 H new ATOM 0 HG2 LYS A 50 61.944 5.433 -4.915 1.00 0.00 H new ATOM 0 HG3 LYS A 50 63.390 6.417 -4.805 1.00 0.00 H new ATOM 0 HD2 LYS A 50 64.050 5.455 -7.129 1.00 0.00 H new ATOM 0 HD3 LYS A 50 62.420 4.819 -7.223 1.00 0.00 H new ATOM 0 HE2 LYS A 50 61.455 7.091 -7.012 1.00 0.00 H new ATOM 0 HE3 LYS A 50 63.034 7.781 -6.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 62.467 7.951 -9.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 63.811 6.934 -8.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 62.281 6.266 -9.163 1.00 0.00 H new ATOM 848 N GLU A 51 62.546 1.440 -4.096 1.00 0.00 N ATOM 849 CA GLU A 51 61.593 0.340 -4.427 1.00 0.00 C ATOM 850 C GLU A 51 60.494 0.271 -3.366 1.00 0.00 C ATOM 851 O GLU A 51 59.344 0.031 -3.663 1.00 0.00 O ATOM 852 CB GLU A 51 62.442 -0.930 -4.407 1.00 0.00 C ATOM 853 CG GLU A 51 61.726 -2.039 -5.182 1.00 0.00 C ATOM 854 CD GLU A 51 62.733 -3.119 -5.579 1.00 0.00 C ATOM 855 OE1 GLU A 51 63.820 -3.121 -5.025 1.00 0.00 O ATOM 856 OE2 GLU A 51 62.401 -3.927 -6.432 1.00 0.00 O ATOM 0 H GLU A 51 63.529 1.168 -4.074 1.00 0.00 H new ATOM 0 HA GLU A 51 61.101 0.484 -5.389 1.00 0.00 H new ATOM 0 HB2 GLU A 51 63.418 -0.734 -4.851 1.00 0.00 H new ATOM 0 HB3 GLU A 51 62.617 -1.246 -3.379 1.00 0.00 H new ATOM 0 HG2 GLU A 51 60.935 -2.472 -4.570 1.00 0.00 H new ATOM 0 HG3 GLU A 51 61.250 -1.626 -6.072 1.00 0.00 H new ATOM 863 N ALA A 52 60.849 0.494 -2.132 1.00 0.00 N ATOM 864 CA ALA A 52 59.844 0.465 -1.027 1.00 0.00 C ATOM 865 C ALA A 52 58.515 1.062 -1.500 1.00 0.00 C ATOM 866 O ALA A 52 57.452 0.609 -1.132 1.00 0.00 O ATOM 867 CB ALA A 52 60.477 1.335 0.059 1.00 0.00 C ATOM 0 H ALA A 52 61.804 0.698 -1.836 1.00 0.00 H new ATOM 0 HA ALA A 52 59.618 -0.543 -0.679 1.00 0.00 H new ATOM 0 HB1 ALA A 52 59.813 1.380 0.922 1.00 0.00 H new ATOM 0 HB2 ALA A 52 61.433 0.905 0.358 1.00 0.00 H new ATOM 0 HB3 ALA A 52 60.637 2.341 -0.328 1.00 0.00 H new ATOM 873 N TYR A 53 58.565 2.066 -2.319 1.00 0.00 N ATOM 874 CA TYR A 53 57.302 2.678 -2.809 1.00 0.00 C ATOM 875 C TYR A 53 56.456 1.630 -3.539 1.00 0.00 C ATOM 876 O TYR A 53 55.243 1.692 -3.532 1.00 0.00 O ATOM 877 CB TYR A 53 57.766 3.811 -3.720 1.00 0.00 C ATOM 878 CG TYR A 53 58.710 4.675 -2.919 1.00 0.00 C ATOM 879 CD1 TYR A 53 58.434 4.919 -1.570 1.00 0.00 C ATOM 880 CD2 TYR A 53 59.865 5.206 -3.501 1.00 0.00 C ATOM 881 CE1 TYR A 53 59.303 5.694 -0.800 1.00 0.00 C ATOM 882 CE2 TYR A 53 60.738 5.987 -2.732 1.00 0.00 C ATOM 883 CZ TYR A 53 60.458 6.230 -1.380 1.00 0.00 C ATOM 884 OH TYR A 53 61.321 6.996 -0.624 1.00 0.00 O ATOM 0 H TYR A 53 59.422 2.491 -2.672 1.00 0.00 H new ATOM 0 HA TYR A 53 56.659 3.056 -2.014 1.00 0.00 H new ATOM 0 HB2 TYR A 53 58.265 3.413 -4.603 1.00 0.00 H new ATOM 0 HB3 TYR A 53 56.915 4.395 -4.071 1.00 0.00 H new ATOM 0 HD1 TYR A 53 57.543 4.505 -1.121 1.00 0.00 H new ATOM 0 HD2 TYR A 53 60.084 5.015 -4.541 1.00 0.00 H new ATOM 0 HE1 TYR A 53 59.084 5.879 0.241 1.00 0.00 H new ATOM 0 HE2 TYR A 53 61.628 6.402 -3.181 1.00 0.00 H new ATOM 0 HH TYR A 53 61.643 7.751 -1.159 1.00 0.00 H new ATOM 894 N GLU A 54 57.069 0.637 -4.126 1.00 0.00 N ATOM 895 CA GLU A 54 56.254 -0.419 -4.797 1.00 0.00 C ATOM 896 C GLU A 54 55.358 -1.061 -3.751 1.00 0.00 C ATOM 897 O GLU A 54 54.395 -1.729 -4.062 1.00 0.00 O ATOM 898 CB GLU A 54 57.236 -1.457 -5.339 1.00 0.00 C ATOM 899 CG GLU A 54 58.428 -0.756 -5.973 1.00 0.00 C ATOM 900 CD GLU A 54 58.553 -1.179 -7.437 1.00 0.00 C ATOM 901 OE1 GLU A 54 57.556 -1.121 -8.139 1.00 0.00 O ATOM 902 OE2 GLU A 54 59.644 -1.554 -7.833 1.00 0.00 O ATOM 0 H GLU A 54 58.080 0.511 -4.171 1.00 0.00 H new ATOM 0 HA GLU A 54 55.639 -0.014 -5.601 1.00 0.00 H new ATOM 0 HB2 GLU A 54 57.572 -2.109 -4.533 1.00 0.00 H new ATOM 0 HB3 GLU A 54 56.741 -2.090 -6.075 1.00 0.00 H new ATOM 0 HG2 GLU A 54 58.305 0.325 -5.906 1.00 0.00 H new ATOM 0 HG3 GLU A 54 59.340 -1.007 -5.432 1.00 0.00 H new ATOM 909 N VAL A 55 55.672 -0.863 -2.501 1.00 0.00 N ATOM 910 CA VAL A 55 54.832 -1.460 -1.439 1.00 0.00 C ATOM 911 C VAL A 55 54.035 -0.369 -0.721 1.00 0.00 C ATOM 912 O VAL A 55 52.820 -0.357 -0.743 1.00 0.00 O ATOM 913 CB VAL A 55 55.778 -2.253 -0.484 1.00 0.00 C ATOM 914 CG1 VAL A 55 57.219 -2.263 -0.990 1.00 0.00 C ATOM 915 CG2 VAL A 55 55.799 -1.663 0.915 1.00 0.00 C ATOM 0 H VAL A 55 56.469 -0.317 -2.175 1.00 0.00 H new ATOM 0 HA VAL A 55 54.093 -2.148 -1.850 1.00 0.00 H new ATOM 0 HB VAL A 55 55.378 -3.267 -0.459 1.00 0.00 H new ATOM 0 HG11 VAL A 55 57.844 -2.825 -0.296 1.00 0.00 H new ATOM 0 HG12 VAL A 55 57.256 -2.732 -1.973 1.00 0.00 H new ATOM 0 HG13 VAL A 55 57.587 -1.239 -1.062 1.00 0.00 H new ATOM 0 HG21 VAL A 55 56.470 -2.246 1.546 1.00 0.00 H new ATOM 0 HG22 VAL A 55 56.148 -0.632 0.870 1.00 0.00 H new ATOM 0 HG23 VAL A 55 54.794 -1.687 1.335 1.00 0.00 H new ATOM 925 N LEU A 56 54.701 0.542 -0.085 1.00 0.00 N ATOM 926 CA LEU A 56 53.945 1.627 0.632 1.00 0.00 C ATOM 927 C LEU A 56 53.136 2.458 -0.367 1.00 0.00 C ATOM 928 O LEU A 56 51.997 2.799 -0.117 1.00 0.00 O ATOM 929 CB LEU A 56 54.955 2.524 1.373 1.00 0.00 C ATOM 930 CG LEU A 56 56.368 2.368 0.817 1.00 0.00 C ATOM 931 CD1 LEU A 56 57.124 3.673 0.993 1.00 0.00 C ATOM 932 CD2 LEU A 56 57.080 1.251 1.585 1.00 0.00 C ATOM 0 H LEU A 56 55.718 0.595 -0.022 1.00 0.00 H new ATOM 0 HA LEU A 56 53.252 1.182 1.346 1.00 0.00 H new ATOM 0 HB2 LEU A 56 54.645 3.566 1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 56 54.952 2.274 2.434 1.00 0.00 H new ATOM 0 HG LEU A 56 56.328 2.117 -0.243 1.00 0.00 H new ATOM 0 HD11 LEU A 56 58.134 3.565 0.597 1.00 0.00 H new ATOM 0 HD12 LEU A 56 56.607 4.468 0.456 1.00 0.00 H new ATOM 0 HD13 LEU A 56 57.175 3.924 2.052 1.00 0.00 H new ATOM 0 HD21 LEU A 56 58.091 1.130 1.197 1.00 0.00 H new ATOM 0 HD22 LEU A 56 57.126 1.509 2.643 1.00 0.00 H new ATOM 0 HD23 LEU A 56 56.530 0.318 1.463 1.00 0.00 H new ATOM 944 N THR A 57 53.701 2.787 -1.498 1.00 0.00 N ATOM 945 CA THR A 57 52.933 3.593 -2.495 1.00 0.00 C ATOM 946 C THR A 57 52.258 2.663 -3.512 1.00 0.00 C ATOM 947 O THR A 57 51.689 3.105 -4.490 1.00 0.00 O ATOM 948 CB THR A 57 53.956 4.514 -3.179 1.00 0.00 C ATOM 949 OG1 THR A 57 54.640 3.802 -4.197 1.00 0.00 O ATOM 950 CG2 THR A 57 54.966 5.040 -2.150 1.00 0.00 C ATOM 0 H THR A 57 54.650 2.537 -1.774 1.00 0.00 H new ATOM 0 HA THR A 57 52.142 4.177 -2.024 1.00 0.00 H new ATOM 0 HB THR A 57 53.427 5.358 -3.622 1.00 0.00 H new ATOM 0 HG1 THR A 57 54.598 2.841 -4.009 1.00 0.00 H new ATOM 0 HG21 THR A 57 55.685 5.691 -2.646 1.00 0.00 H new ATOM 0 HG22 THR A 57 54.440 5.602 -1.378 1.00 0.00 H new ATOM 0 HG23 THR A 57 55.491 4.201 -1.693 1.00 0.00 H new ATOM 958 N ASP A 58 52.302 1.377 -3.273 1.00 0.00 N ATOM 959 CA ASP A 58 51.650 0.410 -4.200 1.00 0.00 C ATOM 960 C ASP A 58 51.213 -0.805 -3.412 1.00 0.00 C ATOM 961 O ASP A 58 51.960 -1.368 -2.641 1.00 0.00 O ATOM 962 CB ASP A 58 52.707 0.039 -5.241 1.00 0.00 C ATOM 963 CG ASP A 58 52.228 0.460 -6.632 1.00 0.00 C ATOM 964 OD1 ASP A 58 51.898 1.622 -6.797 1.00 0.00 O ATOM 965 OD2 ASP A 58 52.200 -0.388 -7.509 1.00 0.00 O ATOM 0 H ASP A 58 52.766 0.955 -2.469 1.00 0.00 H new ATOM 0 HA ASP A 58 50.768 0.827 -4.686 1.00 0.00 H new ATOM 0 HB2 ASP A 58 53.651 0.530 -5.006 1.00 0.00 H new ATOM 0 HB3 ASP A 58 52.893 -1.035 -5.219 1.00 0.00 H new ATOM 970 N SER A 59 49.989 -1.189 -3.580 1.00 0.00 N ATOM 971 CA SER A 59 49.460 -2.342 -2.816 1.00 0.00 C ATOM 972 C SER A 59 50.101 -3.675 -3.237 1.00 0.00 C ATOM 973 O SER A 59 49.690 -4.728 -2.789 1.00 0.00 O ATOM 974 CB SER A 59 47.960 -2.355 -3.107 1.00 0.00 C ATOM 975 OG SER A 59 47.280 -2.996 -2.037 1.00 0.00 O ATOM 0 H SER A 59 49.325 -0.751 -4.219 1.00 0.00 H new ATOM 0 HA SER A 59 49.685 -2.237 -1.755 1.00 0.00 H new ATOM 0 HB2 SER A 59 47.593 -1.336 -3.228 1.00 0.00 H new ATOM 0 HB3 SER A 59 47.764 -2.878 -4.043 1.00 0.00 H new ATOM 0 HG SER A 59 47.753 -3.819 -1.795 1.00 0.00 H new ATOM 981 N GLN A 60 51.088 -3.658 -4.089 1.00 0.00 N ATOM 982 CA GLN A 60 51.718 -4.944 -4.515 1.00 0.00 C ATOM 983 C GLN A 60 52.660 -5.487 -3.430 1.00 0.00 C ATOM 984 O GLN A 60 52.435 -6.542 -2.871 1.00 0.00 O ATOM 985 CB GLN A 60 52.506 -4.595 -5.777 1.00 0.00 C ATOM 986 CG GLN A 60 52.469 -5.778 -6.744 1.00 0.00 C ATOM 987 CD GLN A 60 53.768 -5.822 -7.549 1.00 0.00 C ATOM 988 OE1 GLN A 60 54.048 -4.925 -8.319 1.00 0.00 O ATOM 989 NE2 GLN A 60 54.580 -6.833 -7.399 1.00 0.00 N ATOM 0 H GLN A 60 51.485 -2.817 -4.508 1.00 0.00 H new ATOM 0 HA GLN A 60 50.972 -5.720 -4.690 1.00 0.00 H new ATOM 0 HB2 GLN A 60 52.081 -3.710 -6.251 1.00 0.00 H new ATOM 0 HB3 GLN A 60 53.537 -4.354 -5.520 1.00 0.00 H new ATOM 0 HG2 GLN A 60 52.340 -6.709 -6.191 1.00 0.00 H new ATOM 0 HG3 GLN A 60 51.616 -5.685 -7.416 1.00 0.00 H new ATOM 0 HE21 GLN A 60 54.344 -7.585 -6.752 1.00 0.00 H new ATOM 0 HE22 GLN A 60 55.451 -6.871 -7.929 1.00 0.00 H new ATOM 998 N LYS A 61 53.723 -4.783 -3.147 1.00 0.00 N ATOM 999 CA LYS A 61 54.700 -5.262 -2.121 1.00 0.00 C ATOM 1000 C LYS A 61 54.138 -5.136 -0.699 1.00 0.00 C ATOM 1001 O LYS A 61 54.368 -5.986 0.135 1.00 0.00 O ATOM 1002 CB LYS A 61 55.922 -4.360 -2.295 1.00 0.00 C ATOM 1003 CG LYS A 61 56.838 -4.818 -3.435 1.00 0.00 C ATOM 1004 CD LYS A 61 56.062 -5.627 -4.484 1.00 0.00 C ATOM 1005 CE LYS A 61 56.921 -5.785 -5.742 1.00 0.00 C ATOM 1006 NZ LYS A 61 56.851 -4.461 -6.423 1.00 0.00 N ATOM 0 H LYS A 61 53.960 -3.892 -3.583 1.00 0.00 H new ATOM 0 HA LYS A 61 54.934 -6.318 -2.256 1.00 0.00 H new ATOM 0 HB2 LYS A 61 55.591 -3.340 -2.488 1.00 0.00 H new ATOM 0 HB3 LYS A 61 56.489 -4.340 -1.364 1.00 0.00 H new ATOM 0 HG2 LYS A 61 57.295 -3.949 -3.908 1.00 0.00 H new ATOM 0 HG3 LYS A 61 57.649 -5.425 -3.031 1.00 0.00 H new ATOM 0 HD2 LYS A 61 55.800 -6.606 -4.083 1.00 0.00 H new ATOM 0 HD3 LYS A 61 55.127 -5.123 -4.729 1.00 0.00 H new ATOM 0 HE2 LYS A 61 57.949 -6.045 -5.489 1.00 0.00 H new ATOM 0 HE3 LYS A 61 56.540 -6.580 -6.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 56.756 -4.603 -7.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 56.029 -3.932 -6.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 57.719 -3.923 -6.227 1.00 0.00 H new ATOM 1020 N ARG A 62 53.411 -4.094 -0.402 1.00 0.00 N ATOM 1021 CA ARG A 62 52.864 -3.960 0.978 1.00 0.00 C ATOM 1022 C ARG A 62 51.845 -5.068 1.215 1.00 0.00 C ATOM 1023 O ARG A 62 51.598 -5.479 2.329 1.00 0.00 O ATOM 1024 CB ARG A 62 52.197 -2.587 1.027 1.00 0.00 C ATOM 1025 CG ARG A 62 51.047 -2.544 0.025 1.00 0.00 C ATOM 1026 CD ARG A 62 49.763 -2.116 0.736 1.00 0.00 C ATOM 1027 NE ARG A 62 49.661 -0.651 0.489 1.00 0.00 N ATOM 1028 CZ ARG A 62 49.847 0.188 1.471 1.00 0.00 C ATOM 1029 NH1 ARG A 62 49.275 -0.021 2.625 1.00 0.00 N ATOM 1030 NH2 ARG A 62 50.604 1.237 1.298 1.00 0.00 N ATOM 0 H ARG A 62 53.174 -3.339 -1.045 1.00 0.00 H new ATOM 0 HA ARG A 62 53.632 -4.045 1.746 1.00 0.00 H new ATOM 0 HB2 ARG A 62 51.825 -2.387 2.032 1.00 0.00 H new ATOM 0 HB3 ARG A 62 52.924 -1.809 0.795 1.00 0.00 H new ATOM 0 HG2 ARG A 62 51.279 -1.847 -0.780 1.00 0.00 H new ATOM 0 HG3 ARG A 62 50.912 -3.525 -0.432 1.00 0.00 H new ATOM 0 HD2 ARG A 62 48.896 -2.645 0.340 1.00 0.00 H new ATOM 0 HD3 ARG A 62 49.810 -2.335 1.803 1.00 0.00 H new ATOM 0 HE ARG A 62 49.446 -0.304 -0.446 1.00 0.00 H new ATOM 0 HH11 ARG A 62 48.682 -0.840 2.760 1.00 0.00 H new ATOM 0 HH12 ARG A 62 49.420 0.635 3.393 1.00 0.00 H new ATOM 0 HH21 ARG A 62 51.050 1.401 0.395 1.00 0.00 H new ATOM 0 HH22 ARG A 62 50.750 1.893 2.065 1.00 0.00 H new ATOM 1044 N ALA A 63 51.281 -5.573 0.159 1.00 0.00 N ATOM 1045 CA ALA A 63 50.306 -6.685 0.290 1.00 0.00 C ATOM 1046 C ALA A 63 51.091 -7.987 0.261 1.00 0.00 C ATOM 1047 O ALA A 63 50.678 -9.001 0.787 1.00 0.00 O ATOM 1048 CB ALA A 63 49.388 -6.568 -0.927 1.00 0.00 C ATOM 0 H ALA A 63 51.455 -5.261 -0.796 1.00 0.00 H new ATOM 0 HA ALA A 63 49.723 -6.654 1.210 1.00 0.00 H new ATOM 0 HB1 ALA A 63 48.640 -7.360 -0.896 1.00 0.00 H new ATOM 0 HB2 ALA A 63 48.890 -5.598 -0.915 1.00 0.00 H new ATOM 0 HB3 ALA A 63 49.978 -6.662 -1.838 1.00 0.00 H new ATOM 1054 N ALA A 64 52.251 -7.938 -0.334 1.00 0.00 N ATOM 1055 CA ALA A 64 53.119 -9.138 -0.390 1.00 0.00 C ATOM 1056 C ALA A 64 53.903 -9.200 0.914 1.00 0.00 C ATOM 1057 O ALA A 64 54.022 -10.236 1.538 1.00 0.00 O ATOM 1058 CB ALA A 64 54.049 -8.899 -1.578 1.00 0.00 C ATOM 0 H ALA A 64 52.634 -7.108 -0.787 1.00 0.00 H new ATOM 0 HA ALA A 64 52.574 -10.075 -0.508 1.00 0.00 H new ATOM 0 HB1 ALA A 64 54.726 -9.747 -1.687 1.00 0.00 H new ATOM 0 HB2 ALA A 64 53.457 -8.788 -2.487 1.00 0.00 H new ATOM 0 HB3 ALA A 64 54.629 -7.991 -1.410 1.00 0.00 H new ATOM 1064 N TYR A 65 54.425 -8.080 1.339 1.00 0.00 N ATOM 1065 CA TYR A 65 55.185 -8.052 2.611 1.00 0.00 C ATOM 1066 C TYR A 65 54.266 -8.392 3.790 1.00 0.00 C ATOM 1067 O TYR A 65 54.518 -9.314 4.538 1.00 0.00 O ATOM 1068 CB TYR A 65 55.673 -6.615 2.732 1.00 0.00 C ATOM 1069 CG TYR A 65 56.879 -6.579 3.641 1.00 0.00 C ATOM 1070 CD1 TYR A 65 56.735 -6.884 5.000 1.00 0.00 C ATOM 1071 CD2 TYR A 65 58.137 -6.241 3.130 1.00 0.00 C ATOM 1072 CE1 TYR A 65 57.847 -6.852 5.847 1.00 0.00 C ATOM 1073 CE2 TYR A 65 59.250 -6.209 3.978 1.00 0.00 C ATOM 1074 CZ TYR A 65 59.106 -6.515 5.336 1.00 0.00 C ATOM 1075 OH TYR A 65 60.204 -6.482 6.171 1.00 0.00 O ATOM 0 H TYR A 65 54.355 -7.185 0.855 1.00 0.00 H new ATOM 0 HA TYR A 65 56.000 -8.776 2.621 1.00 0.00 H new ATOM 0 HB2 TYR A 65 55.931 -6.221 1.749 1.00 0.00 H new ATOM 0 HB3 TYR A 65 54.881 -5.981 3.132 1.00 0.00 H new ATOM 0 HD1 TYR A 65 55.764 -7.144 5.394 1.00 0.00 H new ATOM 0 HD2 TYR A 65 58.249 -6.005 2.082 1.00 0.00 H new ATOM 0 HE1 TYR A 65 57.735 -7.087 6.895 1.00 0.00 H new ATOM 0 HE2 TYR A 65 60.221 -5.948 3.584 1.00 0.00 H new ATOM 0 HH TYR A 65 60.083 -7.130 6.896 1.00 0.00 H new ATOM 1085 N ASP A 66 53.205 -7.645 3.968 1.00 0.00 N ATOM 1086 CA ASP A 66 52.283 -7.925 5.110 1.00 0.00 C ATOM 1087 C ASP A 66 52.040 -9.434 5.249 1.00 0.00 C ATOM 1088 O ASP A 66 51.776 -9.932 6.326 1.00 0.00 O ATOM 1089 CB ASP A 66 50.980 -7.178 4.773 1.00 0.00 C ATOM 1090 CG ASP A 66 50.034 -8.083 3.976 1.00 0.00 C ATOM 1091 OD1 ASP A 66 49.345 -8.877 4.594 1.00 0.00 O ATOM 1092 OD2 ASP A 66 50.017 -7.967 2.762 1.00 0.00 O ATOM 0 H ASP A 66 52.939 -6.858 3.376 1.00 0.00 H new ATOM 0 HA ASP A 66 52.697 -7.594 6.062 1.00 0.00 H new ATOM 0 HB2 ASP A 66 50.493 -6.852 5.692 1.00 0.00 H new ATOM 0 HB3 ASP A 66 51.207 -6.281 4.197 1.00 0.00 H new ATOM 1097 N GLN A 67 52.121 -10.162 4.168 1.00 0.00 N ATOM 1098 CA GLN A 67 51.889 -11.633 4.242 1.00 0.00 C ATOM 1099 C GLN A 67 53.198 -12.382 3.992 1.00 0.00 C ATOM 1100 O GLN A 67 53.217 -13.589 3.849 1.00 0.00 O ATOM 1101 CB GLN A 67 50.880 -11.932 3.131 1.00 0.00 C ATOM 1102 CG GLN A 67 49.588 -11.153 3.386 1.00 0.00 C ATOM 1103 CD GLN A 67 48.413 -11.879 2.728 1.00 0.00 C ATOM 1104 OE1 GLN A 67 48.567 -12.971 2.221 1.00 0.00 O ATOM 1105 NE2 GLN A 67 47.236 -11.313 2.715 1.00 0.00 N ATOM 0 H GLN A 67 52.337 -9.802 3.238 1.00 0.00 H new ATOM 0 HA GLN A 67 51.522 -11.946 5.219 1.00 0.00 H new ATOM 0 HB2 GLN A 67 51.298 -11.656 2.163 1.00 0.00 H new ATOM 0 HB3 GLN A 67 50.671 -13.001 3.094 1.00 0.00 H new ATOM 0 HG2 GLN A 67 49.415 -11.057 4.458 1.00 0.00 H new ATOM 0 HG3 GLN A 67 49.675 -10.143 2.985 1.00 0.00 H new ATOM 0 HE21 GLN A 67 47.107 -10.395 3.141 1.00 0.00 H new ATOM 0 HE22 GLN A 67 46.446 -11.789 2.279 1.00 0.00 H new ATOM 1114 N TYR A 68 54.294 -11.677 3.936 1.00 0.00 N ATOM 1115 CA TYR A 68 55.600 -12.351 3.695 1.00 0.00 C ATOM 1116 C TYR A 68 55.475 -13.317 2.516 1.00 0.00 C ATOM 1117 O TYR A 68 56.118 -14.346 2.473 1.00 0.00 O ATOM 1118 CB TYR A 68 55.889 -13.116 4.986 1.00 0.00 C ATOM 1119 CG TYR A 68 56.505 -12.185 6.002 1.00 0.00 C ATOM 1120 CD1 TYR A 68 55.684 -11.439 6.856 1.00 0.00 C ATOM 1121 CD2 TYR A 68 57.898 -12.069 6.094 1.00 0.00 C ATOM 1122 CE1 TYR A 68 56.253 -10.578 7.801 1.00 0.00 C ATOM 1123 CE2 TYR A 68 58.467 -11.207 7.041 1.00 0.00 C ATOM 1124 CZ TYR A 68 57.644 -10.461 7.894 1.00 0.00 C ATOM 1125 OH TYR A 68 58.206 -9.611 8.824 1.00 0.00 O ATOM 0 H TYR A 68 54.341 -10.664 4.047 1.00 0.00 H new ATOM 0 HA TYR A 68 56.396 -11.648 3.451 1.00 0.00 H new ATOM 0 HB2 TYR A 68 54.967 -13.543 5.381 1.00 0.00 H new ATOM 0 HB3 TYR A 68 56.564 -13.948 4.784 1.00 0.00 H new ATOM 0 HD1 TYR A 68 54.610 -11.528 6.785 1.00 0.00 H new ATOM 0 HD2 TYR A 68 58.533 -12.643 5.436 1.00 0.00 H new ATOM 0 HE1 TYR A 68 55.618 -10.003 8.459 1.00 0.00 H new ATOM 0 HE2 TYR A 68 59.541 -11.118 7.113 1.00 0.00 H new ATOM 0 HH TYR A 68 59.183 -9.651 8.755 1.00 0.00 H new ATOM 1135 N GLY A 69 54.641 -12.997 1.564 1.00 0.00 N ATOM 1136 CA GLY A 69 54.465 -13.899 0.394 1.00 0.00 C ATOM 1137 C GLY A 69 53.191 -14.719 0.590 1.00 0.00 C ATOM 1138 O GLY A 69 52.557 -14.656 1.623 1.00 0.00 O ATOM 0 H GLY A 69 54.074 -12.149 1.547 1.00 0.00 H new ATOM 0 HA2 GLY A 69 54.401 -13.316 -0.525 1.00 0.00 H new ATOM 0 HA3 GLY A 69 55.327 -14.559 0.294 1.00 0.00 H new ATOM 1142 N HIS A 70 52.807 -15.487 -0.389 1.00 0.00 N ATOM 1143 CA HIS A 70 51.571 -16.303 -0.241 1.00 0.00 C ATOM 1144 C HIS A 70 51.885 -17.601 0.509 1.00 0.00 C ATOM 1145 O HIS A 70 51.072 -18.501 0.579 1.00 0.00 O ATOM 1146 CB HIS A 70 51.118 -16.603 -1.669 1.00 0.00 C ATOM 1147 CG HIS A 70 52.057 -17.603 -2.287 1.00 0.00 C ATOM 1148 ND1 HIS A 70 51.919 -18.966 -2.086 1.00 0.00 N ATOM 1149 CD2 HIS A 70 53.157 -17.451 -3.095 1.00 0.00 C ATOM 1150 CE1 HIS A 70 52.912 -19.578 -2.758 1.00 0.00 C ATOM 1151 NE2 HIS A 70 53.695 -18.700 -3.391 1.00 0.00 N ATOM 0 H HIS A 70 53.292 -15.585 -1.281 1.00 0.00 H new ATOM 0 HA HIS A 70 50.799 -15.785 0.328 1.00 0.00 H new ATOM 0 HB2 HIS A 70 50.101 -16.995 -1.666 1.00 0.00 H new ATOM 0 HB3 HIS A 70 51.104 -15.687 -2.259 1.00 0.00 H new ATOM 0 HD1 HIS A 70 51.196 -19.423 -1.530 1.00 0.00 H new ATOM 0 HD2 HIS A 70 53.545 -16.507 -3.447 1.00 0.00 H new ATOM 0 HE1 HIS A 70 53.058 -20.648 -2.782 1.00 0.00 H new ATOM 1159 N ALA A 71 53.061 -17.704 1.062 1.00 0.00 N ATOM 1160 CA ALA A 71 53.432 -18.945 1.801 1.00 0.00 C ATOM 1161 C ALA A 71 52.912 -18.884 3.239 1.00 0.00 C ATOM 1162 O ALA A 71 52.657 -19.896 3.861 1.00 0.00 O ATOM 1163 CB ALA A 71 54.962 -18.971 1.785 1.00 0.00 C ATOM 0 H ALA A 71 53.782 -16.983 1.035 1.00 0.00 H new ATOM 0 HA ALA A 71 53.002 -19.838 1.348 1.00 0.00 H new ATOM 0 HB1 ALA A 71 55.316 -19.857 2.311 1.00 0.00 H new ATOM 0 HB2 ALA A 71 55.315 -18.996 0.754 1.00 0.00 H new ATOM 0 HB3 ALA A 71 55.346 -18.078 2.279 1.00 0.00 H new ATOM 1169 N ALA A 72 52.750 -17.705 3.771 1.00 0.00 N ATOM 1170 CA ALA A 72 52.246 -17.582 5.169 1.00 0.00 C ATOM 1171 C ALA A 72 50.716 -17.651 5.189 1.00 0.00 C ATOM 1172 O ALA A 72 50.106 -17.802 6.228 1.00 0.00 O ATOM 1173 CB ALA A 72 52.726 -16.211 5.643 1.00 0.00 C ATOM 0 H ALA A 72 52.944 -16.822 3.300 1.00 0.00 H new ATOM 0 HA ALA A 72 52.608 -18.386 5.810 1.00 0.00 H new ATOM 0 HB1 ALA A 72 52.394 -16.044 6.668 1.00 0.00 H new ATOM 0 HB2 ALA A 72 53.815 -16.173 5.603 1.00 0.00 H new ATOM 0 HB3 ALA A 72 52.312 -15.437 4.997 1.00 0.00 H new ATOM 1179 N PHE A 73 50.094 -17.539 4.047 1.00 0.00 N ATOM 1180 CA PHE A 73 48.603 -17.596 4.002 1.00 0.00 C ATOM 1181 C PHE A 73 48.131 -18.427 2.800 1.00 0.00 C ATOM 1182 O PHE A 73 47.107 -19.078 2.853 1.00 0.00 O ATOM 1183 CB PHE A 73 48.157 -16.141 3.856 1.00 0.00 C ATOM 1184 CG PHE A 73 47.898 -15.554 5.222 1.00 0.00 C ATOM 1185 CD1 PHE A 73 47.174 -16.284 6.173 1.00 0.00 C ATOM 1186 CD2 PHE A 73 48.384 -14.280 5.541 1.00 0.00 C ATOM 1187 CE1 PHE A 73 46.935 -15.740 7.441 1.00 0.00 C ATOM 1188 CE2 PHE A 73 48.144 -13.737 6.808 1.00 0.00 C ATOM 1189 CZ PHE A 73 47.421 -14.467 7.759 1.00 0.00 C ATOM 0 H PHE A 73 50.552 -17.411 3.144 1.00 0.00 H new ATOM 0 HA PHE A 73 48.184 -18.067 4.891 1.00 0.00 H new ATOM 0 HB2 PHE A 73 48.925 -15.564 3.340 1.00 0.00 H new ATOM 0 HB3 PHE A 73 47.254 -16.086 3.248 1.00 0.00 H new ATOM 0 HD1 PHE A 73 46.800 -17.267 5.928 1.00 0.00 H new ATOM 0 HD2 PHE A 73 48.944 -13.717 4.809 1.00 0.00 H new ATOM 0 HE1 PHE A 73 46.376 -16.303 8.173 1.00 0.00 H new ATOM 0 HE2 PHE A 73 48.517 -12.753 7.053 1.00 0.00 H new ATOM 0 HZ PHE A 73 47.238 -14.048 8.737 1.00 0.00 H new ATOM 1199 N GLU A 74 48.867 -18.407 1.721 1.00 0.00 N ATOM 1200 CA GLU A 74 48.458 -19.193 0.519 1.00 0.00 C ATOM 1201 C GLU A 74 47.143 -18.648 -0.046 1.00 0.00 C ATOM 1202 O GLU A 74 46.452 -17.882 0.595 1.00 0.00 O ATOM 1203 CB GLU A 74 48.279 -20.630 1.016 1.00 0.00 C ATOM 1204 CG GLU A 74 49.450 -21.004 1.931 1.00 0.00 C ATOM 1205 CD GLU A 74 49.879 -22.447 1.651 1.00 0.00 C ATOM 1206 OE1 GLU A 74 50.376 -22.696 0.564 1.00 0.00 O ATOM 1207 OE2 GLU A 74 49.704 -23.277 2.527 1.00 0.00 O ATOM 0 H GLU A 74 49.734 -17.880 1.619 1.00 0.00 H new ATOM 0 HA GLU A 74 49.196 -19.134 -0.281 1.00 0.00 H new ATOM 0 HB2 GLU A 74 47.337 -20.725 1.556 1.00 0.00 H new ATOM 0 HB3 GLU A 74 48.231 -21.315 0.170 1.00 0.00 H new ATOM 0 HG2 GLU A 74 50.287 -20.326 1.763 1.00 0.00 H new ATOM 0 HG3 GLU A 74 49.157 -20.897 2.975 1.00 0.00 H new ATOM 1214 N GLN A 75 46.795 -19.034 -1.244 1.00 0.00 N ATOM 1215 CA GLN A 75 45.527 -18.534 -1.850 1.00 0.00 C ATOM 1216 C GLN A 75 44.334 -19.343 -1.333 1.00 0.00 C ATOM 1217 O GLN A 75 43.268 -18.811 -1.098 1.00 0.00 O ATOM 1218 CB GLN A 75 45.700 -18.737 -3.356 1.00 0.00 C ATOM 1219 CG GLN A 75 45.844 -17.377 -4.041 1.00 0.00 C ATOM 1220 CD GLN A 75 44.640 -17.134 -4.953 1.00 0.00 C ATOM 1221 OE1 GLN A 75 43.512 -17.119 -4.499 1.00 0.00 O ATOM 1222 NE2 GLN A 75 44.834 -16.939 -6.227 1.00 0.00 N ATOM 0 H GLN A 75 47.333 -19.673 -1.829 1.00 0.00 H new ATOM 0 HA GLN A 75 45.334 -17.491 -1.598 1.00 0.00 H new ATOM 0 HB2 GLN A 75 46.580 -19.350 -3.552 1.00 0.00 H new ATOM 0 HB3 GLN A 75 44.842 -19.272 -3.763 1.00 0.00 H new ATOM 0 HG2 GLN A 75 45.912 -16.587 -3.293 1.00 0.00 H new ATOM 0 HG3 GLN A 75 46.766 -17.347 -4.622 1.00 0.00 H new ATOM 0 HE21 GLN A 75 45.781 -16.952 -6.607 1.00 0.00 H new ATOM 0 HE22 GLN A 75 44.039 -16.774 -6.844 1.00 0.00 H new ATOM 1231 N GLY A 76 44.505 -20.624 -1.157 1.00 0.00 N ATOM 1232 CA GLY A 76 43.380 -21.463 -0.658 1.00 0.00 C ATOM 1233 C GLY A 76 42.308 -21.575 -1.744 1.00 0.00 C ATOM 1234 O GLY A 76 42.563 -21.334 -2.907 1.00 0.00 O ATOM 0 H GLY A 76 45.375 -21.126 -1.337 1.00 0.00 H new ATOM 0 HA2 GLY A 76 43.744 -22.454 -0.387 1.00 0.00 H new ATOM 0 HA3 GLY A 76 42.955 -21.022 0.244 1.00 0.00 H new ATOM 1238 N GLY A 77 41.111 -21.940 -1.376 1.00 0.00 N ATOM 1239 CA GLY A 77 40.027 -22.069 -2.390 1.00 0.00 C ATOM 1240 C GLY A 77 39.620 -23.538 -2.514 1.00 0.00 C ATOM 1241 O GLY A 77 38.678 -23.930 -1.845 1.00 0.00 O ATOM 1242 OXT GLY A 77 40.257 -24.248 -3.275 1.00 0.00 O ATOM 0 H GLY A 77 40.837 -22.154 -0.417 1.00 0.00 H new ATOM 0 HA2 GLY A 77 39.167 -21.465 -2.098 1.00 0.00 H new ATOM 0 HA3 GLY A 77 40.369 -21.692 -3.354 1.00 0.00 H new TER 1246 GLY A 77