USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 833 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 18 THR OG1 : rot -170:sc= 0.0226 USER MOD Set 1.2: A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 28 ASN : amide:sc=-0.00361 X(o=-0.0036,f=-0.084) USER MOD Set 2.2: A 48 MET CE :methyl 140:sc= 0 (180deg=-1.39!) USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.0758 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0127 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 78:sc= 1.25 USER MOD Single : A 27 GLN : amide:sc= -0.0286 X(o=-0.029,f=-0.33) USER MOD Single : A 30 MET CE :methyl 163:sc= -0.0294 (180deg=-1.3) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 37 MET CE :methyl -163:sc= -0.27 (180deg=-1.22) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -174:sc=0.000616 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= -0.117 (180deg=-0.117) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.0155 X(o=-0.015,f=-0.39) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0.575 K(o=0.57,f=-4!) USER MOD Single : A 59 TYR OH : rot 30:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00849) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl -176:sc= 0 (180deg=-0.0198) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 81 SER OG : rot 180:sc= 0.0106 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.2 K(o=-0.2,f=-0.92) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0318 USER MOD Single : A 85 SER OG : rot 51:sc= 0.0731 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 172:sc= 1.28 (180deg=1.18) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.0031 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 103 LYS NZ :NH3+ 132:sc= 1.25 (180deg=0.421) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.815 11.015 -22.149 1.00 0.00 N ATOM 2 CA GLY A 1 24.618 9.994 -21.096 1.00 0.00 C ATOM 3 C GLY A 1 23.143 9.731 -20.826 1.00 0.00 C ATOM 4 O GLY A 1 22.265 10.328 -21.454 1.00 0.00 O ATOM 0 H1 GLY A 1 25.362 10.605 -22.932 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.890 11.333 -22.502 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.332 11.826 -21.754 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.103 9.065 -21.396 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.102 10.323 -20.176 1.00 0.00 H new ATOM 10 N SER A 2 22.855 8.836 -19.878 1.00 0.00 N ATOM 11 CA SER A 2 21.507 8.605 -19.328 1.00 0.00 C ATOM 12 C SER A 2 20.997 9.795 -18.489 1.00 0.00 C ATOM 13 O SER A 2 21.743 10.733 -18.182 1.00 0.00 O ATOM 14 CB SER A 2 21.508 7.315 -18.492 1.00 0.00 C ATOM 15 OG SER A 2 22.457 7.389 -17.435 1.00 0.00 O ATOM 0 H SER A 2 23.565 8.236 -19.459 1.00 0.00 H new ATOM 0 HA SER A 2 20.820 8.501 -20.168 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.513 7.144 -18.080 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.738 6.463 -19.132 1.00 0.00 H new ATOM 0 HG SER A 2 22.436 6.557 -16.918 1.00 0.00 H new ATOM 21 N ALA A 3 19.720 9.755 -18.098 1.00 0.00 N ATOM 22 CA ALA A 3 19.065 10.738 -17.230 1.00 0.00 C ATOM 23 C ALA A 3 18.214 10.059 -16.133 1.00 0.00 C ATOM 24 O ALA A 3 17.992 8.844 -16.159 1.00 0.00 O ATOM 25 CB ALA A 3 18.231 11.680 -18.116 1.00 0.00 C ATOM 0 H ALA A 3 19.090 9.008 -18.389 1.00 0.00 H new ATOM 0 HA ALA A 3 19.818 11.318 -16.696 1.00 0.00 H new ATOM 0 HB1 ALA A 3 17.733 12.422 -17.491 1.00 0.00 H new ATOM 0 HB2 ALA A 3 18.885 12.185 -18.827 1.00 0.00 H new ATOM 0 HB3 ALA A 3 17.483 11.102 -18.658 1.00 0.00 H new ATOM 31 N MET A 4 17.714 10.856 -15.184 1.00 0.00 N ATOM 32 CA MET A 4 16.830 10.435 -14.086 1.00 0.00 C ATOM 33 C MET A 4 15.512 11.230 -14.079 1.00 0.00 C ATOM 34 O MET A 4 15.403 12.275 -14.729 1.00 0.00 O ATOM 35 CB MET A 4 17.589 10.528 -12.746 1.00 0.00 C ATOM 36 CG MET A 4 17.940 11.961 -12.320 1.00 0.00 C ATOM 37 SD MET A 4 18.967 12.048 -10.826 1.00 0.00 S ATOM 38 CE MET A 4 19.086 13.850 -10.642 1.00 0.00 C ATOM 0 H MET A 4 17.921 11.854 -15.156 1.00 0.00 H new ATOM 0 HA MET A 4 16.545 9.394 -14.239 1.00 0.00 H new ATOM 0 HB2 MET A 4 16.984 10.067 -11.966 1.00 0.00 H new ATOM 0 HB3 MET A 4 18.509 9.948 -12.821 1.00 0.00 H new ATOM 0 HG2 MET A 4 18.462 12.456 -13.139 1.00 0.00 H new ATOM 0 HG3 MET A 4 17.018 12.516 -12.149 1.00 0.00 H new ATOM 0 HE1 MET A 4 19.688 14.087 -9.765 1.00 0.00 H new ATOM 0 HE2 MET A 4 19.554 14.276 -11.529 1.00 0.00 H new ATOM 0 HE3 MET A 4 18.088 14.270 -10.521 1.00 0.00 H new ATOM 48 N ALA A 5 14.516 10.749 -13.330 1.00 0.00 N ATOM 49 CA ALA A 5 13.183 11.348 -13.215 1.00 0.00 C ATOM 50 C ALA A 5 12.773 11.564 -11.745 1.00 0.00 C ATOM 51 O ALA A 5 13.202 10.836 -10.846 1.00 0.00 O ATOM 52 CB ALA A 5 12.186 10.452 -13.965 1.00 0.00 C ATOM 0 H ALA A 5 14.619 9.904 -12.768 1.00 0.00 H new ATOM 0 HA ALA A 5 13.190 12.340 -13.666 1.00 0.00 H new ATOM 0 HB1 ALA A 5 11.186 10.880 -13.892 1.00 0.00 H new ATOM 0 HB2 ALA A 5 12.476 10.383 -15.014 1.00 0.00 H new ATOM 0 HB3 ALA A 5 12.188 9.456 -13.522 1.00 0.00 H new ATOM 58 N ASP A 6 11.911 12.554 -11.502 1.00 0.00 N ATOM 59 CA ASP A 6 11.516 13.022 -10.166 1.00 0.00 C ATOM 60 C ASP A 6 10.093 12.557 -9.805 1.00 0.00 C ATOM 61 O ASP A 6 9.156 13.352 -9.694 1.00 0.00 O ATOM 62 CB ASP A 6 11.688 14.550 -10.083 1.00 0.00 C ATOM 63 CG ASP A 6 13.159 14.975 -10.217 1.00 0.00 C ATOM 64 OD1 ASP A 6 13.944 14.751 -9.263 1.00 0.00 O ATOM 65 OD2 ASP A 6 13.535 15.550 -11.267 1.00 0.00 O ATOM 0 H ASP A 6 11.452 13.071 -12.252 1.00 0.00 H new ATOM 0 HA ASP A 6 12.171 12.574 -9.418 1.00 0.00 H new ATOM 0 HB2 ASP A 6 11.101 15.024 -10.870 1.00 0.00 H new ATOM 0 HB3 ASP A 6 11.293 14.908 -9.132 1.00 0.00 H new ATOM 70 N ILE A 7 9.922 11.240 -9.629 1.00 0.00 N ATOM 71 CA ILE A 7 8.628 10.610 -9.294 1.00 0.00 C ATOM 72 C ILE A 7 8.116 10.952 -7.878 1.00 0.00 C ATOM 73 O ILE A 7 6.920 10.839 -7.607 1.00 0.00 O ATOM 74 CB ILE A 7 8.679 9.077 -9.507 1.00 0.00 C ATOM 75 CG1 ILE A 7 9.625 8.359 -8.514 1.00 0.00 C ATOM 76 CG2 ILE A 7 9.043 8.761 -10.971 1.00 0.00 C ATOM 77 CD1 ILE A 7 9.609 6.829 -8.635 1.00 0.00 C ATOM 0 H ILE A 7 10.686 10.569 -9.715 1.00 0.00 H new ATOM 0 HA ILE A 7 7.904 11.039 -9.987 1.00 0.00 H new ATOM 0 HB ILE A 7 7.684 8.685 -9.298 1.00 0.00 H new ATOM 0 HG12 ILE A 7 10.642 8.716 -8.674 1.00 0.00 H new ATOM 0 HG13 ILE A 7 9.347 8.636 -7.497 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.077 7.681 -11.112 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.292 9.190 -11.634 1.00 0.00 H new ATOM 0 HG23 ILE A 7 10.018 9.188 -11.204 1.00 0.00 H new ATOM 0 HD11 ILE A 7 10.297 6.399 -7.907 1.00 0.00 H new ATOM 0 HD12 ILE A 7 8.601 6.459 -8.445 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.917 6.540 -9.640 1.00 0.00 H new ATOM 89 N GLY A 8 9.003 11.387 -6.975 1.00 0.00 N ATOM 90 CA GLY A 8 8.725 11.667 -5.559 1.00 0.00 C ATOM 91 C GLY A 8 8.319 13.118 -5.271 1.00 0.00 C ATOM 92 O GLY A 8 8.843 13.732 -4.339 1.00 0.00 O ATOM 0 H GLY A 8 9.977 11.561 -7.221 1.00 0.00 H new ATOM 0 HA2 GLY A 8 7.929 11.005 -5.219 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.612 11.427 -4.972 1.00 0.00 H new ATOM 96 N SER A 9 7.424 13.687 -6.084 1.00 0.00 N ATOM 97 CA SER A 9 6.929 15.071 -5.964 1.00 0.00 C ATOM 98 C SER A 9 5.599 15.198 -5.201 1.00 0.00 C ATOM 99 O SER A 9 5.338 16.231 -4.579 1.00 0.00 O ATOM 100 CB SER A 9 6.793 15.685 -7.362 1.00 0.00 C ATOM 101 OG SER A 9 5.903 14.928 -8.173 1.00 0.00 O ATOM 0 H SER A 9 7.008 13.186 -6.869 1.00 0.00 H new ATOM 0 HA SER A 9 7.665 15.614 -5.371 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.430 16.709 -7.278 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.772 15.732 -7.838 1.00 0.00 H new ATOM 0 HG SER A 9 5.834 15.343 -9.058 1.00 0.00 H new ATOM 107 N GLU A 10 4.759 14.158 -5.215 1.00 0.00 N ATOM 108 CA GLU A 10 3.520 14.058 -4.424 1.00 0.00 C ATOM 109 C GLU A 10 3.800 13.643 -2.959 1.00 0.00 C ATOM 110 O GLU A 10 4.930 13.299 -2.602 1.00 0.00 O ATOM 111 CB GLU A 10 2.554 13.065 -5.101 1.00 0.00 C ATOM 112 CG GLU A 10 2.098 13.547 -6.487 1.00 0.00 C ATOM 113 CD GLU A 10 1.027 12.607 -7.078 1.00 0.00 C ATOM 114 OE1 GLU A 10 1.389 11.595 -7.728 1.00 0.00 O ATOM 115 OE2 GLU A 10 -0.188 12.877 -6.904 1.00 0.00 O ATOM 0 H GLU A 10 4.924 13.335 -5.794 1.00 0.00 H new ATOM 0 HA GLU A 10 3.058 15.045 -4.389 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.043 12.096 -5.199 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.681 12.919 -4.464 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.697 14.558 -6.410 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.955 13.595 -7.159 1.00 0.00 H new ATOM 122 N PHE A 11 2.764 13.658 -2.106 1.00 0.00 N ATOM 123 CA PHE A 11 2.802 13.266 -0.679 1.00 0.00 C ATOM 124 C PHE A 11 3.768 14.106 0.198 1.00 0.00 C ATOM 125 O PHE A 11 4.123 13.713 1.310 1.00 0.00 O ATOM 126 CB PHE A 11 3.030 11.741 -0.589 1.00 0.00 C ATOM 127 CG PHE A 11 2.569 11.069 0.694 1.00 0.00 C ATOM 128 CD1 PHE A 11 1.199 10.816 0.902 1.00 0.00 C ATOM 129 CD2 PHE A 11 3.506 10.645 1.658 1.00 0.00 C ATOM 130 CE1 PHE A 11 0.769 10.146 2.062 1.00 0.00 C ATOM 131 CE2 PHE A 11 3.076 9.978 2.820 1.00 0.00 C ATOM 132 CZ PHE A 11 1.707 9.726 3.021 1.00 0.00 C ATOM 0 H PHE A 11 1.834 13.956 -2.400 1.00 0.00 H new ATOM 0 HA PHE A 11 1.834 13.502 -0.236 1.00 0.00 H new ATOM 0 HB2 PHE A 11 2.518 11.268 -1.427 1.00 0.00 H new ATOM 0 HB3 PHE A 11 4.095 11.546 -0.715 1.00 0.00 H new ATOM 0 HD1 PHE A 11 0.475 11.138 0.168 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.558 10.833 1.504 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -0.283 9.954 2.216 1.00 0.00 H new ATOM 0 HE2 PHE A 11 3.798 9.659 3.558 1.00 0.00 H new ATOM 0 HZ PHE A 11 1.377 9.211 3.911 1.00 0.00 H new ATOM 142 N GLU A 12 4.208 15.273 -0.293 1.00 0.00 N ATOM 143 CA GLU A 12 5.239 16.134 0.313 1.00 0.00 C ATOM 144 C GLU A 12 4.886 16.589 1.742 1.00 0.00 C ATOM 145 O GLU A 12 5.708 16.463 2.653 1.00 0.00 O ATOM 146 CB GLU A 12 5.485 17.325 -0.634 1.00 0.00 C ATOM 147 CG GLU A 12 6.729 18.170 -0.312 1.00 0.00 C ATOM 148 CD GLU A 12 6.535 19.169 0.849 1.00 0.00 C ATOM 149 OE1 GLU A 12 5.579 19.983 0.805 1.00 0.00 O ATOM 150 OE2 GLU A 12 7.365 19.185 1.789 1.00 0.00 O ATOM 0 H GLU A 12 3.840 15.662 -1.161 1.00 0.00 H new ATOM 0 HA GLU A 12 6.156 15.557 0.430 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.576 16.947 -1.652 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.609 17.973 -0.612 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.554 17.502 -0.067 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.020 18.722 -1.206 1.00 0.00 H new ATOM 157 N LYS A 13 3.653 17.075 1.949 1.00 0.00 N ATOM 158 CA LYS A 13 3.092 17.474 3.251 1.00 0.00 C ATOM 159 C LYS A 13 1.971 16.514 3.668 1.00 0.00 C ATOM 160 O LYS A 13 1.099 16.176 2.864 1.00 0.00 O ATOM 161 CB LYS A 13 2.632 18.943 3.177 1.00 0.00 C ATOM 162 CG LYS A 13 2.182 19.492 4.545 1.00 0.00 C ATOM 163 CD LYS A 13 1.778 20.976 4.496 1.00 0.00 C ATOM 164 CE LYS A 13 2.946 21.947 4.260 1.00 0.00 C ATOM 165 NZ LYS A 13 3.841 22.053 5.445 1.00 0.00 N ATOM 0 H LYS A 13 2.992 17.207 1.184 1.00 0.00 H new ATOM 0 HA LYS A 13 3.854 17.408 4.027 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.447 19.556 2.794 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.809 19.027 2.467 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.339 18.904 4.906 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.991 19.365 5.265 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.042 21.113 3.704 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.289 21.237 5.434 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.525 21.613 3.399 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.552 22.933 4.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.613 22.718 5.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.297 22.397 6.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.239 21.118 5.664 1.00 0.00 H new ATOM 179 N THR A 14 2.002 16.070 4.923 1.00 0.00 N ATOM 180 CA THR A 14 0.986 15.204 5.551 1.00 0.00 C ATOM 181 C THR A 14 -0.377 15.904 5.704 1.00 0.00 C ATOM 182 O THR A 14 -0.439 17.140 5.723 1.00 0.00 O ATOM 183 CB THR A 14 1.476 14.743 6.939 1.00 0.00 C ATOM 184 OG1 THR A 14 2.024 15.826 7.666 1.00 0.00 O ATOM 185 CG2 THR A 14 2.559 13.671 6.819 1.00 0.00 C ATOM 0 H THR A 14 2.761 16.308 5.561 1.00 0.00 H new ATOM 0 HA THR A 14 0.846 14.348 4.890 1.00 0.00 H new ATOM 0 HB THR A 14 0.607 14.338 7.458 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.327 15.511 8.543 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.883 13.368 7.815 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.158 12.807 6.289 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.409 14.073 6.268 1.00 0.00 H new ATOM 193 N PRO A 15 -1.489 15.154 5.850 1.00 0.00 N ATOM 194 CA PRO A 15 -2.803 15.743 6.109 1.00 0.00 C ATOM 195 C PRO A 15 -2.885 16.368 7.514 1.00 0.00 C ATOM 196 O PRO A 15 -2.209 15.932 8.455 1.00 0.00 O ATOM 197 CB PRO A 15 -3.809 14.602 5.931 1.00 0.00 C ATOM 198 CG PRO A 15 -2.994 13.352 6.252 1.00 0.00 C ATOM 199 CD PRO A 15 -1.595 13.702 5.749 1.00 0.00 C ATOM 0 HA PRO A 15 -3.011 16.564 5.423 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.660 14.709 6.603 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.206 14.572 4.916 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.994 13.136 7.320 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.393 12.472 5.748 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.829 13.211 6.350 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.455 13.370 4.720 1.00 0.00 H new ATOM 207 N SER A 16 -3.742 17.384 7.650 1.00 0.00 N ATOM 208 CA SER A 16 -4.021 18.075 8.917 1.00 0.00 C ATOM 209 C SER A 16 -4.809 17.194 9.906 1.00 0.00 C ATOM 210 O SER A 16 -5.377 16.161 9.537 1.00 0.00 O ATOM 211 CB SER A 16 -4.781 19.378 8.629 1.00 0.00 C ATOM 212 OG SER A 16 -4.727 20.253 9.744 1.00 0.00 O ATOM 0 H SER A 16 -4.275 17.759 6.865 1.00 0.00 H new ATOM 0 HA SER A 16 -3.067 18.301 9.394 1.00 0.00 H new ATOM 0 HB2 SER A 16 -4.351 19.869 7.756 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.820 19.152 8.389 1.00 0.00 H new ATOM 0 HG SER A 16 -5.216 21.077 9.537 1.00 0.00 H new ATOM 218 N LEU A 17 -4.855 17.604 11.176 1.00 0.00 N ATOM 219 CA LEU A 17 -5.521 16.901 12.279 1.00 0.00 C ATOM 220 C LEU A 17 -7.055 17.015 12.175 1.00 0.00 C ATOM 221 O LEU A 17 -7.642 18.042 12.527 1.00 0.00 O ATOM 222 CB LEU A 17 -4.999 17.440 13.631 1.00 0.00 C ATOM 223 CG LEU A 17 -3.665 16.863 14.150 1.00 0.00 C ATOM 224 CD1 LEU A 17 -3.776 15.370 14.459 1.00 0.00 C ATOM 225 CD2 LEU A 17 -2.485 17.067 13.196 1.00 0.00 C ATOM 0 H LEU A 17 -4.411 18.471 11.478 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.281 15.840 12.214 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.889 18.521 13.544 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.763 17.257 14.386 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.465 17.428 15.061 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.817 15.001 14.822 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.538 15.212 15.223 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.053 14.831 13.553 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.585 16.634 13.633 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.698 16.579 12.245 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.331 18.133 13.030 1.00 0.00 H new ATOM 237 N THR A 18 -7.712 15.955 11.697 1.00 0.00 N ATOM 238 CA THR A 18 -9.181 15.834 11.621 1.00 0.00 C ATOM 239 C THR A 18 -9.819 15.891 13.019 1.00 0.00 C ATOM 240 O THR A 18 -9.448 15.112 13.901 1.00 0.00 O ATOM 241 CB THR A 18 -9.612 14.514 10.944 1.00 0.00 C ATOM 242 OG1 THR A 18 -8.703 14.076 9.951 1.00 0.00 O ATOM 243 CG2 THR A 18 -10.976 14.663 10.271 1.00 0.00 C ATOM 0 H THR A 18 -7.228 15.131 11.341 1.00 0.00 H new ATOM 0 HA THR A 18 -9.526 16.677 11.022 1.00 0.00 H new ATOM 0 HB THR A 18 -9.645 13.779 11.748 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.098 13.332 9.451 1.00 0.00 H new ATOM 0 HG21 THR A 18 -11.255 13.719 9.802 1.00 0.00 H new ATOM 0 HG22 THR A 18 -11.723 14.932 11.018 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.924 15.444 9.512 1.00 0.00 H new ATOM 251 N ARG A 19 -10.797 16.787 13.238 1.00 0.00 N ATOM 252 CA ARG A 19 -11.560 16.873 14.506 1.00 0.00 C ATOM 253 C ARG A 19 -12.477 15.661 14.729 1.00 0.00 C ATOM 254 O ARG A 19 -12.637 15.203 15.862 1.00 0.00 O ATOM 255 CB ARG A 19 -12.376 18.179 14.572 1.00 0.00 C ATOM 256 CG ARG A 19 -11.504 19.441 14.451 1.00 0.00 C ATOM 257 CD ARG A 19 -12.316 20.721 14.696 1.00 0.00 C ATOM 258 NE ARG A 19 -12.617 20.921 16.130 1.00 0.00 N ATOM 259 CZ ARG A 19 -13.508 21.744 16.656 1.00 0.00 C ATOM 260 NH1 ARG A 19 -14.304 22.469 15.920 1.00 0.00 N ATOM 261 NH2 ARG A 19 -13.616 21.859 17.948 1.00 0.00 N ATOM 0 H ARG A 19 -11.085 17.475 12.543 1.00 0.00 H new ATOM 0 HA ARG A 19 -10.824 16.873 15.310 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -13.117 18.178 13.773 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -12.923 18.211 15.514 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.685 19.387 15.168 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -11.056 19.479 13.458 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.761 21.580 14.319 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -13.248 20.672 14.133 1.00 0.00 H new ATOM 0 HE ARG A 19 -12.076 20.360 16.788 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -14.251 22.412 14.903 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -14.979 23.093 16.361 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -13.011 21.312 18.561 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -14.305 22.496 18.347 1.00 0.00 H new ATOM 275 N ARG A 20 -13.056 15.125 13.645 1.00 0.00 N ATOM 276 CA ARG A 20 -13.853 13.885 13.588 1.00 0.00 C ATOM 277 C ARG A 20 -13.011 12.671 14.012 1.00 0.00 C ATOM 278 O ARG A 20 -12.078 12.290 13.302 1.00 0.00 O ATOM 279 CB ARG A 20 -14.407 13.713 12.154 1.00 0.00 C ATOM 280 CG ARG A 20 -15.410 12.555 12.000 1.00 0.00 C ATOM 281 CD ARG A 20 -16.834 12.914 12.451 1.00 0.00 C ATOM 282 NE ARG A 20 -17.526 13.766 11.460 1.00 0.00 N ATOM 283 CZ ARG A 20 -18.183 13.374 10.379 1.00 0.00 C ATOM 284 NH1 ARG A 20 -18.318 12.115 10.066 1.00 0.00 N ATOM 285 NH2 ARG A 20 -18.722 14.248 9.578 1.00 0.00 N ATOM 0 H ARG A 20 -12.978 15.569 12.730 1.00 0.00 H new ATOM 0 HA ARG A 20 -14.686 13.954 14.287 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -14.891 14.641 11.850 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -13.573 13.550 11.471 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -15.436 12.244 10.956 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -15.058 11.701 12.579 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -17.407 12.000 12.607 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -16.792 13.432 13.409 1.00 0.00 H new ATOM 0 HE ARG A 20 -17.494 14.771 11.628 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -17.910 11.395 10.662 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -18.831 11.851 9.225 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -18.640 15.244 9.781 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -19.226 13.936 8.748 1.00 0.00 H new ATOM 299 N ILE A 21 -13.338 12.060 15.154 1.00 0.00 N ATOM 300 CA ILE A 21 -12.773 10.765 15.574 1.00 0.00 C ATOM 301 C ILE A 21 -13.157 9.661 14.570 1.00 0.00 C ATOM 302 O ILE A 21 -14.292 9.613 14.089 1.00 0.00 O ATOM 303 CB ILE A 21 -13.201 10.431 17.026 1.00 0.00 C ATOM 304 CG1 ILE A 21 -12.395 9.270 17.650 1.00 0.00 C ATOM 305 CG2 ILE A 21 -14.701 10.113 17.152 1.00 0.00 C ATOM 306 CD1 ILE A 21 -10.921 9.612 17.898 1.00 0.00 C ATOM 0 H ILE A 21 -14.006 12.448 15.820 1.00 0.00 H new ATOM 0 HA ILE A 21 -11.685 10.829 15.574 1.00 0.00 H new ATOM 0 HB ILE A 21 -12.983 11.344 17.580 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -12.857 8.984 18.595 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -12.453 8.403 16.992 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -14.939 9.887 18.191 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -15.284 10.974 16.825 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -14.944 9.252 16.529 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -10.417 8.751 18.337 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -10.443 9.869 16.953 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -10.854 10.459 18.581 1.00 0.00 H new ATOM 318 N ASP A 22 -12.218 8.778 14.226 1.00 0.00 N ATOM 319 CA ASP A 22 -12.462 7.672 13.292 1.00 0.00 C ATOM 320 C ASP A 22 -13.022 6.435 14.018 1.00 0.00 C ATOM 321 O ASP A 22 -12.410 5.932 14.961 1.00 0.00 O ATOM 322 CB ASP A 22 -11.164 7.337 12.544 1.00 0.00 C ATOM 323 CG ASP A 22 -11.464 6.612 11.225 1.00 0.00 C ATOM 324 OD1 ASP A 22 -12.082 5.523 11.265 1.00 0.00 O ATOM 325 OD2 ASP A 22 -11.098 7.143 10.152 1.00 0.00 O ATOM 0 H ASP A 22 -11.264 8.808 14.587 1.00 0.00 H new ATOM 0 HA ASP A 22 -13.216 7.984 12.570 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -10.609 8.253 12.342 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.529 6.711 13.171 1.00 0.00 H new ATOM 330 N ASP A 23 -14.167 5.908 13.575 1.00 0.00 N ATOM 331 CA ASP A 23 -14.773 4.677 14.115 1.00 0.00 C ATOM 332 C ASP A 23 -13.844 3.445 14.040 1.00 0.00 C ATOM 333 O ASP A 23 -13.984 2.506 14.831 1.00 0.00 O ATOM 334 CB ASP A 23 -16.087 4.387 13.375 1.00 0.00 C ATOM 335 CG ASP A 23 -17.165 5.441 13.675 1.00 0.00 C ATOM 336 OD1 ASP A 23 -17.840 5.336 14.727 1.00 0.00 O ATOM 337 OD2 ASP A 23 -17.353 6.370 12.851 1.00 0.00 O ATOM 0 H ASP A 23 -14.711 6.327 12.820 1.00 0.00 H new ATOM 0 HA ASP A 23 -14.958 4.856 15.174 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -15.899 4.357 12.302 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -16.454 3.402 13.662 1.00 0.00 H new ATOM 342 N THR A 24 -12.851 3.458 13.143 1.00 0.00 N ATOM 343 CA THR A 24 -11.817 2.414 13.014 1.00 0.00 C ATOM 344 C THR A 24 -10.962 2.276 14.281 1.00 0.00 C ATOM 345 O THR A 24 -10.533 1.170 14.616 1.00 0.00 O ATOM 346 CB THR A 24 -10.912 2.668 11.796 1.00 0.00 C ATOM 347 OG1 THR A 24 -11.684 2.944 10.648 1.00 0.00 O ATOM 348 CG2 THR A 24 -10.039 1.464 11.446 1.00 0.00 C ATOM 0 H THR A 24 -12.738 4.213 12.467 1.00 0.00 H new ATOM 0 HA THR A 24 -12.350 1.475 12.868 1.00 0.00 H new ATOM 0 HB THR A 24 -10.283 3.513 12.076 1.00 0.00 H new ATOM 0 HG1 THR A 24 -12.000 3.871 10.682 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.422 1.701 10.579 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.397 1.222 12.293 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.674 0.609 11.216 1.00 0.00 H new ATOM 356 N ILE A 25 -10.759 3.372 15.025 1.00 0.00 N ATOM 357 CA ILE A 25 -10.058 3.398 16.321 1.00 0.00 C ATOM 358 C ILE A 25 -10.795 2.521 17.344 1.00 0.00 C ATOM 359 O ILE A 25 -10.174 1.715 18.039 1.00 0.00 O ATOM 360 CB ILE A 25 -9.905 4.858 16.821 1.00 0.00 C ATOM 361 CG1 ILE A 25 -9.038 5.691 15.840 1.00 0.00 C ATOM 362 CG2 ILE A 25 -9.304 4.908 18.238 1.00 0.00 C ATOM 363 CD1 ILE A 25 -9.138 7.205 16.049 1.00 0.00 C ATOM 0 H ILE A 25 -11.087 4.293 14.735 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.057 2.986 16.194 1.00 0.00 H new ATOM 0 HB ILE A 25 -10.903 5.295 16.861 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -7.996 5.388 15.946 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.336 5.455 14.818 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -9.211 5.946 18.557 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.956 4.373 18.929 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.319 4.440 18.232 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -8.503 7.715 15.325 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -10.172 7.524 15.913 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.811 7.455 17.058 1.00 0.00 H new ATOM 375 N PHE A 26 -12.123 2.659 17.426 1.00 0.00 N ATOM 376 CA PHE A 26 -12.962 1.903 18.359 1.00 0.00 C ATOM 377 C PHE A 26 -13.092 0.421 17.959 1.00 0.00 C ATOM 378 O PHE A 26 -12.971 -0.461 18.812 1.00 0.00 O ATOM 379 CB PHE A 26 -14.339 2.578 18.475 1.00 0.00 C ATOM 380 CG PHE A 26 -15.054 2.268 19.779 1.00 0.00 C ATOM 381 CD1 PHE A 26 -15.766 1.063 19.941 1.00 0.00 C ATOM 382 CD2 PHE A 26 -14.986 3.183 20.850 1.00 0.00 C ATOM 383 CE1 PHE A 26 -16.396 0.773 21.165 1.00 0.00 C ATOM 384 CE2 PHE A 26 -15.622 2.896 22.070 1.00 0.00 C ATOM 385 CZ PHE A 26 -16.326 1.689 22.230 1.00 0.00 C ATOM 0 H PHE A 26 -12.650 3.306 16.839 1.00 0.00 H new ATOM 0 HA PHE A 26 -12.478 1.911 19.336 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -14.215 3.657 18.385 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -14.964 2.258 17.641 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -15.828 0.360 19.123 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -14.443 4.109 20.732 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -16.935 -0.155 21.287 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -15.570 3.603 22.885 1.00 0.00 H new ATOM 0 HZ PHE A 26 -16.812 1.466 23.168 1.00 0.00 H new ATOM 395 N GLN A 27 -13.338 0.131 16.673 1.00 0.00 N ATOM 396 CA GLN A 27 -13.642 -1.232 16.203 1.00 0.00 C ATOM 397 C GLN A 27 -12.438 -2.197 16.190 1.00 0.00 C ATOM 398 O GLN A 27 -12.641 -3.413 16.136 1.00 0.00 O ATOM 399 CB GLN A 27 -14.346 -1.178 14.830 1.00 0.00 C ATOM 400 CG GLN A 27 -13.398 -1.129 13.617 1.00 0.00 C ATOM 401 CD GLN A 27 -14.103 -0.822 12.291 1.00 0.00 C ATOM 402 OE1 GLN A 27 -15.321 -0.754 12.176 1.00 0.00 O ATOM 403 NE2 GLN A 27 -13.361 -0.630 11.220 1.00 0.00 N ATOM 0 H GLN A 27 -13.332 0.830 15.931 1.00 0.00 H new ATOM 0 HA GLN A 27 -14.320 -1.659 16.942 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -14.991 -2.052 14.734 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -14.992 -0.301 14.803 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -12.634 -0.372 13.795 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -12.884 -2.086 13.531 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.345 -0.681 11.288 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -13.803 -0.430 10.323 1.00 0.00 H new ATOM 412 N ASN A 28 -11.198 -1.687 16.222 1.00 0.00 N ATOM 413 CA ASN A 28 -9.974 -2.478 16.049 1.00 0.00 C ATOM 414 C ASN A 28 -8.916 -2.159 17.139 1.00 0.00 C ATOM 415 O ASN A 28 -8.169 -1.187 16.999 1.00 0.00 O ATOM 416 CB ASN A 28 -9.466 -2.284 14.607 1.00 0.00 C ATOM 417 CG ASN A 28 -8.616 -3.463 14.175 1.00 0.00 C ATOM 418 OD1 ASN A 28 -9.101 -4.433 13.612 1.00 0.00 O ATOM 419 ND2 ASN A 28 -7.338 -3.440 14.458 1.00 0.00 N ATOM 0 H ASN A 28 -11.016 -0.695 16.372 1.00 0.00 H new ATOM 0 HA ASN A 28 -10.190 -3.537 16.190 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -10.313 -2.172 13.930 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -8.883 -1.366 14.542 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -6.746 -4.232 14.208 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -6.934 -2.630 14.928 1.00 0.00 H new ATOM 426 N PRO A 29 -8.816 -2.948 18.229 1.00 0.00 N ATOM 427 CA PRO A 29 -8.063 -2.573 19.437 1.00 0.00 C ATOM 428 C PRO A 29 -6.536 -2.493 19.259 1.00 0.00 C ATOM 429 O PRO A 29 -5.857 -1.867 20.075 1.00 0.00 O ATOM 430 CB PRO A 29 -8.452 -3.612 20.497 1.00 0.00 C ATOM 431 CG PRO A 29 -8.835 -4.838 19.672 1.00 0.00 C ATOM 432 CD PRO A 29 -9.486 -4.225 18.435 1.00 0.00 C ATOM 0 HA PRO A 29 -8.326 -1.554 19.721 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.624 -3.826 21.172 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -9.283 -3.266 21.112 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -7.964 -5.440 19.414 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -9.524 -5.489 20.211 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -9.367 -4.874 17.567 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -10.557 -4.086 18.584 1.00 0.00 H new ATOM 440 N MET A 30 -5.990 -3.052 18.170 1.00 0.00 N ATOM 441 CA MET A 30 -4.574 -2.926 17.780 1.00 0.00 C ATOM 442 C MET A 30 -4.125 -1.465 17.600 1.00 0.00 C ATOM 443 O MET A 30 -2.937 -1.166 17.727 1.00 0.00 O ATOM 444 CB MET A 30 -4.327 -3.673 16.462 1.00 0.00 C ATOM 445 CG MET A 30 -4.610 -5.180 16.523 1.00 0.00 C ATOM 446 SD MET A 30 -4.722 -6.007 14.908 1.00 0.00 S ATOM 447 CE MET A 30 -3.268 -5.336 14.058 1.00 0.00 C ATOM 0 H MET A 30 -6.532 -3.619 17.518 1.00 0.00 H new ATOM 0 HA MET A 30 -3.992 -3.358 18.594 1.00 0.00 H new ATOM 0 HB2 MET A 30 -4.951 -3.230 15.685 1.00 0.00 H new ATOM 0 HB3 MET A 30 -3.290 -3.523 16.162 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.823 -5.659 17.106 1.00 0.00 H new ATOM 0 HG3 MET A 30 -5.545 -5.337 17.060 1.00 0.00 H new ATOM 0 HE1 MET A 30 -3.032 -5.958 13.195 1.00 0.00 H new ATOM 0 HE2 MET A 30 -3.478 -4.319 13.726 1.00 0.00 H new ATOM 0 HE3 MET A 30 -2.419 -5.326 14.742 1.00 0.00 H new ATOM 457 N VAL A 31 -5.063 -0.547 17.331 1.00 0.00 N ATOM 458 CA VAL A 31 -4.802 0.895 17.211 1.00 0.00 C ATOM 459 C VAL A 31 -4.145 1.443 18.477 1.00 0.00 C ATOM 460 O VAL A 31 -3.059 2.010 18.403 1.00 0.00 O ATOM 461 CB VAL A 31 -6.093 1.665 16.860 1.00 0.00 C ATOM 462 CG1 VAL A 31 -5.889 3.184 16.878 1.00 0.00 C ATOM 463 CG2 VAL A 31 -6.574 1.281 15.456 1.00 0.00 C ATOM 0 H VAL A 31 -6.043 -0.790 17.188 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.100 1.043 16.390 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.828 1.394 17.618 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.826 3.680 16.625 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.570 3.497 17.872 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.125 3.457 16.150 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.485 1.831 15.221 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.802 1.528 14.727 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.777 0.211 15.421 1.00 0.00 H new ATOM 473 N GLN A 32 -4.756 1.234 19.646 1.00 0.00 N ATOM 474 CA GLN A 32 -4.268 1.775 20.922 1.00 0.00 C ATOM 475 C GLN A 32 -2.824 1.331 21.224 1.00 0.00 C ATOM 476 O GLN A 32 -1.995 2.134 21.658 1.00 0.00 O ATOM 477 CB GLN A 32 -5.216 1.366 22.066 1.00 0.00 C ATOM 478 CG GLN A 32 -6.706 1.688 21.835 1.00 0.00 C ATOM 479 CD GLN A 32 -6.981 3.173 21.596 1.00 0.00 C ATOM 480 OE1 GLN A 32 -6.808 3.699 20.506 1.00 0.00 O ATOM 481 NE2 GLN A 32 -7.429 3.907 22.593 1.00 0.00 N ATOM 0 H GLN A 32 -5.609 0.682 19.737 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.256 2.862 20.839 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.115 0.294 22.234 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.891 1.863 22.980 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.064 1.118 20.977 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.279 1.355 22.700 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -7.579 3.485 23.509 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -7.626 4.897 22.449 1.00 0.00 H new ATOM 490 N GLU A 33 -2.501 0.066 20.937 1.00 0.00 N ATOM 491 CA GLU A 33 -1.155 -0.508 21.047 1.00 0.00 C ATOM 492 C GLU A 33 -0.138 0.150 20.092 1.00 0.00 C ATOM 493 O GLU A 33 1.011 0.364 20.481 1.00 0.00 O ATOM 494 CB GLU A 33 -1.261 -2.026 20.817 1.00 0.00 C ATOM 495 CG GLU A 33 0.069 -2.797 20.864 1.00 0.00 C ATOM 496 CD GLU A 33 0.829 -2.683 22.205 1.00 0.00 C ATOM 497 OE1 GLU A 33 0.194 -2.497 23.271 1.00 0.00 O ATOM 498 OE2 GLU A 33 2.076 -2.824 22.204 1.00 0.00 O ATOM 0 H GLU A 33 -3.192 -0.610 20.611 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.768 -0.308 22.046 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.930 -2.444 21.569 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.726 -2.197 19.846 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.128 -3.850 20.661 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.714 -2.434 20.064 1.00 0.00 H new ATOM 505 N ALA A 34 -0.539 0.524 18.871 1.00 0.00 N ATOM 506 CA ALA A 34 0.314 1.269 17.943 1.00 0.00 C ATOM 507 C ALA A 34 0.683 2.664 18.493 1.00 0.00 C ATOM 508 O ALA A 34 1.871 2.977 18.599 1.00 0.00 O ATOM 509 CB ALA A 34 -0.347 1.334 16.562 1.00 0.00 C ATOM 0 H ALA A 34 -1.466 0.317 18.500 1.00 0.00 H new ATOM 0 HA ALA A 34 1.259 0.736 17.835 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.294 1.890 15.878 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.494 0.323 16.181 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.312 1.835 16.644 1.00 0.00 H new ATOM 515 N ILE A 35 -0.294 3.486 18.905 1.00 0.00 N ATOM 516 CA ILE A 35 -0.005 4.788 19.548 1.00 0.00 C ATOM 517 C ILE A 35 0.886 4.620 20.792 1.00 0.00 C ATOM 518 O ILE A 35 1.821 5.401 20.980 1.00 0.00 O ATOM 519 CB ILE A 35 -1.291 5.594 19.864 1.00 0.00 C ATOM 520 CG1 ILE A 35 -1.973 6.110 18.572 1.00 0.00 C ATOM 521 CG2 ILE A 35 -0.998 6.817 20.755 1.00 0.00 C ATOM 522 CD1 ILE A 35 -3.229 5.315 18.225 1.00 0.00 C ATOM 0 H ILE A 35 -1.288 3.279 18.808 1.00 0.00 H new ATOM 0 HA ILE A 35 0.555 5.377 18.822 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.951 4.903 20.388 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.233 7.161 18.696 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.268 6.052 17.743 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.926 7.354 20.952 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.563 6.485 21.698 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.297 7.479 20.246 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.671 5.714 17.312 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.967 4.268 18.074 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.947 5.395 19.041 1.00 0.00 H new ATOM 534 N ARG A 36 0.666 3.578 21.611 1.00 0.00 N ATOM 535 CA ARG A 36 1.478 3.276 22.807 1.00 0.00 C ATOM 536 C ARG A 36 2.980 3.123 22.511 1.00 0.00 C ATOM 537 O ARG A 36 3.797 3.520 23.343 1.00 0.00 O ATOM 538 CB ARG A 36 0.898 2.038 23.518 1.00 0.00 C ATOM 539 CG ARG A 36 1.526 1.783 24.899 1.00 0.00 C ATOM 540 CD ARG A 36 0.993 0.500 25.550 1.00 0.00 C ATOM 541 NE ARG A 36 -0.420 0.615 25.967 1.00 0.00 N ATOM 542 CZ ARG A 36 -1.122 -0.298 26.614 1.00 0.00 C ATOM 543 NH1 ARG A 36 -0.625 -1.464 26.918 1.00 0.00 N ATOM 544 NH2 ARG A 36 -2.349 -0.056 26.979 1.00 0.00 N ATOM 0 H ARG A 36 -0.091 2.911 21.461 1.00 0.00 H new ATOM 0 HA ARG A 36 1.416 4.136 23.473 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -0.179 2.164 23.633 1.00 0.00 H new ATOM 0 HB3 ARG A 36 1.051 1.161 22.889 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.609 1.714 24.797 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.321 2.632 25.552 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.094 -0.327 24.848 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.605 0.257 26.419 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.900 1.484 25.732 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.333 -1.694 26.656 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.195 -2.146 27.418 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.776 0.845 26.766 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.882 -0.768 27.478 1.00 0.00 H new ATOM 558 N MET A 37 3.365 2.612 21.333 1.00 0.00 N ATOM 559 CA MET A 37 4.777 2.522 20.914 1.00 0.00 C ATOM 560 C MET A 37 5.410 3.869 20.502 1.00 0.00 C ATOM 561 O MET A 37 6.630 3.939 20.327 1.00 0.00 O ATOM 562 CB MET A 37 4.957 1.517 19.766 1.00 0.00 C ATOM 563 CG MET A 37 4.479 0.098 20.098 1.00 0.00 C ATOM 564 SD MET A 37 5.449 -1.245 19.345 1.00 0.00 S ATOM 565 CE MET A 37 5.630 -0.643 17.644 1.00 0.00 C ATOM 0 H MET A 37 2.709 2.249 20.642 1.00 0.00 H new ATOM 0 HA MET A 37 5.302 2.181 21.806 1.00 0.00 H new ATOM 0 HB2 MET A 37 4.413 1.877 18.893 1.00 0.00 H new ATOM 0 HB3 MET A 37 6.011 1.479 19.492 1.00 0.00 H new ATOM 0 HG2 MET A 37 4.493 -0.029 21.181 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.442 -0.002 19.779 1.00 0.00 H new ATOM 0 HE1 MET A 37 5.927 -1.468 16.996 1.00 0.00 H new ATOM 0 HE2 MET A 37 4.680 -0.234 17.300 1.00 0.00 H new ATOM 0 HE3 MET A 37 6.392 0.135 17.613 1.00 0.00 H new ATOM 575 N GLY A 38 4.617 4.938 20.351 1.00 0.00 N ATOM 576 CA GLY A 38 5.065 6.302 20.037 1.00 0.00 C ATOM 577 C GLY A 38 4.525 6.892 18.724 1.00 0.00 C ATOM 578 O GLY A 38 4.816 8.051 18.420 1.00 0.00 O ATOM 0 H GLY A 38 3.604 4.874 20.448 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.774 6.959 20.857 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.154 6.307 19.996 1.00 0.00 H new ATOM 582 N PHE A 39 3.753 6.130 17.938 1.00 0.00 N ATOM 583 CA PHE A 39 3.099 6.622 16.714 1.00 0.00 C ATOM 584 C PHE A 39 1.968 7.637 17.001 1.00 0.00 C ATOM 585 O PHE A 39 1.424 7.706 18.106 1.00 0.00 O ATOM 586 CB PHE A 39 2.538 5.434 15.922 1.00 0.00 C ATOM 587 CG PHE A 39 3.561 4.524 15.267 1.00 0.00 C ATOM 588 CD1 PHE A 39 4.266 4.964 14.129 1.00 0.00 C ATOM 589 CD2 PHE A 39 3.760 3.213 15.742 1.00 0.00 C ATOM 590 CE1 PHE A 39 5.166 4.101 13.479 1.00 0.00 C ATOM 591 CE2 PHE A 39 4.652 2.348 15.088 1.00 0.00 C ATOM 592 CZ PHE A 39 5.352 2.791 13.956 1.00 0.00 C ATOM 0 H PHE A 39 3.562 5.147 18.133 1.00 0.00 H new ATOM 0 HA PHE A 39 3.857 7.147 16.133 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.925 4.833 16.594 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.877 5.821 15.147 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.115 5.966 13.755 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.223 2.871 16.615 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.714 4.444 12.614 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.799 1.343 15.456 1.00 0.00 H new ATOM 0 HZ PHE A 39 6.035 2.125 13.450 1.00 0.00 H new ATOM 602 N SER A 40 1.577 8.404 15.979 1.00 0.00 N ATOM 603 CA SER A 40 0.500 9.408 16.028 1.00 0.00 C ATOM 604 C SER A 40 -0.876 8.795 15.736 1.00 0.00 C ATOM 605 O SER A 40 -1.017 8.028 14.783 1.00 0.00 O ATOM 606 CB SER A 40 0.761 10.487 14.967 1.00 0.00 C ATOM 607 OG SER A 40 2.056 11.049 15.113 1.00 0.00 O ATOM 0 H SER A 40 2.015 8.344 15.060 1.00 0.00 H new ATOM 0 HA SER A 40 0.495 9.825 17.035 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.660 10.054 13.972 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.010 11.272 15.051 1.00 0.00 H new ATOM 0 HG SER A 40 2.196 11.732 14.424 1.00 0.00 H new ATOM 613 N PHE A 41 -1.919 9.201 16.476 1.00 0.00 N ATOM 614 CA PHE A 41 -3.315 8.777 16.245 1.00 0.00 C ATOM 615 C PHE A 41 -3.760 8.951 14.786 1.00 0.00 C ATOM 616 O PHE A 41 -4.303 8.015 14.190 1.00 0.00 O ATOM 617 CB PHE A 41 -4.275 9.523 17.196 1.00 0.00 C ATOM 618 CG PHE A 41 -4.732 8.712 18.395 1.00 0.00 C ATOM 619 CD1 PHE A 41 -5.715 7.718 18.228 1.00 0.00 C ATOM 620 CD2 PHE A 41 -4.192 8.952 19.674 1.00 0.00 C ATOM 621 CE1 PHE A 41 -6.145 6.957 19.331 1.00 0.00 C ATOM 622 CE2 PHE A 41 -4.625 8.190 20.776 1.00 0.00 C ATOM 623 CZ PHE A 41 -5.597 7.190 20.603 1.00 0.00 C ATOM 0 H PHE A 41 -1.819 9.842 17.263 1.00 0.00 H new ATOM 0 HA PHE A 41 -3.355 7.709 16.460 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.783 10.428 17.552 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -5.152 9.839 16.631 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -6.140 7.539 17.251 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.446 9.721 19.809 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -6.897 6.193 19.199 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.209 8.374 21.756 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.922 6.601 21.448 1.00 0.00 H new ATOM 633 N LYS A 42 -3.497 10.129 14.197 1.00 0.00 N ATOM 634 CA LYS A 42 -3.856 10.461 12.807 1.00 0.00 C ATOM 635 C LYS A 42 -3.223 9.529 11.771 1.00 0.00 C ATOM 636 O LYS A 42 -3.824 9.279 10.731 1.00 0.00 O ATOM 637 CB LYS A 42 -3.595 11.952 12.515 1.00 0.00 C ATOM 638 CG LYS A 42 -2.128 12.391 12.330 1.00 0.00 C ATOM 639 CD LYS A 42 -1.641 12.295 10.871 1.00 0.00 C ATOM 640 CE LYS A 42 -0.220 12.844 10.687 1.00 0.00 C ATOM 641 NZ LYS A 42 -0.185 14.331 10.676 1.00 0.00 N ATOM 0 H LYS A 42 -3.021 10.891 14.681 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.928 10.289 12.707 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.144 12.220 11.612 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.021 12.535 13.331 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.018 13.419 12.675 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.489 11.773 12.960 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.669 11.254 10.550 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.326 12.846 10.226 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.417 12.474 11.491 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.195 12.466 9.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.777 14.654 10.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.849 14.689 9.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.459 14.692 11.612 1.00 0.00 H new ATOM 655 N ASP A 43 -2.036 8.990 12.049 1.00 0.00 N ATOM 656 CA ASP A 43 -1.361 8.053 11.147 1.00 0.00 C ATOM 657 C ASP A 43 -1.926 6.631 11.249 1.00 0.00 C ATOM 658 O ASP A 43 -2.021 5.957 10.223 1.00 0.00 O ATOM 659 CB ASP A 43 0.157 8.085 11.370 1.00 0.00 C ATOM 660 CG ASP A 43 0.773 9.373 10.802 1.00 0.00 C ATOM 661 OD1 ASP A 43 0.542 9.668 9.605 1.00 0.00 O ATOM 662 OD2 ASP A 43 1.487 10.089 11.537 1.00 0.00 O ATOM 0 H ASP A 43 -1.515 9.189 12.903 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.558 8.382 10.127 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.373 8.015 12.436 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.616 7.218 10.894 1.00 0.00 H new ATOM 667 N ILE A 44 -2.372 6.184 12.433 1.00 0.00 N ATOM 668 CA ILE A 44 -3.002 4.859 12.565 1.00 0.00 C ATOM 669 C ILE A 44 -4.371 4.828 11.875 1.00 0.00 C ATOM 670 O ILE A 44 -4.628 3.940 11.060 1.00 0.00 O ATOM 671 CB ILE A 44 -3.141 4.358 14.019 1.00 0.00 C ATOM 672 CG1 ILE A 44 -1.996 4.720 14.982 1.00 0.00 C ATOM 673 CG2 ILE A 44 -3.299 2.827 13.964 1.00 0.00 C ATOM 674 CD1 ILE A 44 -0.585 4.406 14.494 1.00 0.00 C ATOM 0 H ILE A 44 -2.310 6.712 13.303 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.316 4.173 12.068 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.007 4.872 14.436 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.055 5.786 15.199 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.159 4.194 15.922 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.400 2.435 14.976 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.188 2.573 13.386 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.421 2.387 13.491 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.137 4.704 15.254 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.495 3.336 14.306 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.388 4.954 13.572 1.00 0.00 H new ATOM 686 N LYS A 45 -5.248 5.807 12.156 1.00 0.00 N ATOM 687 CA LYS A 45 -6.547 5.919 11.461 1.00 0.00 C ATOM 688 C LYS A 45 -6.367 6.024 9.943 1.00 0.00 C ATOM 689 O LYS A 45 -7.067 5.322 9.215 1.00 0.00 O ATOM 690 CB LYS A 45 -7.443 7.023 12.067 1.00 0.00 C ATOM 691 CG LYS A 45 -6.892 8.458 12.011 1.00 0.00 C ATOM 692 CD LYS A 45 -7.236 9.275 10.751 1.00 0.00 C ATOM 693 CE LYS A 45 -8.622 9.922 10.831 1.00 0.00 C ATOM 694 NZ LYS A 45 -8.903 10.736 9.620 1.00 0.00 N ATOM 0 H LYS A 45 -5.084 6.530 12.856 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.094 4.991 11.629 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.403 7.005 11.551 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.637 6.772 13.110 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.262 9.000 12.881 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.807 8.411 12.102 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.484 10.051 10.609 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.192 8.625 9.877 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.382 9.148 10.937 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.682 10.552 11.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.848 11.163 9.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.190 11.488 9.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.868 10.128 8.777 1.00 0.00 H new ATOM 708 N LYS A 46 -5.381 6.809 9.473 1.00 0.00 N ATOM 709 CA LYS A 46 -5.036 6.942 8.048 1.00 0.00 C ATOM 710 C LYS A 46 -4.610 5.608 7.437 1.00 0.00 C ATOM 711 O LYS A 46 -5.184 5.195 6.432 1.00 0.00 O ATOM 712 CB LYS A 46 -3.988 8.049 7.830 1.00 0.00 C ATOM 713 CG LYS A 46 -3.694 8.256 6.333 1.00 0.00 C ATOM 714 CD LYS A 46 -2.961 9.572 6.008 1.00 0.00 C ATOM 715 CE LYS A 46 -1.445 9.438 5.794 1.00 0.00 C ATOM 716 NZ LYS A 46 -0.685 9.288 7.062 1.00 0.00 N ATOM 0 H LYS A 46 -4.793 7.377 10.083 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.938 7.246 7.517 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.346 8.982 8.265 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.067 7.788 8.351 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.093 7.421 5.974 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.635 8.232 5.783 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.402 10.003 5.110 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.137 10.278 6.820 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.250 8.576 5.157 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.081 10.317 5.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.330 9.202 6.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.844 10.122 7.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.008 8.435 7.561 1.00 0.00 H new ATOM 730 N ILE A 47 -3.618 4.927 8.019 1.00 0.00 N ATOM 731 CA ILE A 47 -3.127 3.672 7.439 1.00 0.00 C ATOM 732 C ILE A 47 -4.193 2.568 7.456 1.00 0.00 C ATOM 733 O ILE A 47 -4.294 1.826 6.482 1.00 0.00 O ATOM 734 CB ILE A 47 -1.781 3.226 8.049 1.00 0.00 C ATOM 735 CG1 ILE A 47 -1.037 2.389 6.990 1.00 0.00 C ATOM 736 CG2 ILE A 47 -1.930 2.464 9.378 1.00 0.00 C ATOM 737 CD1 ILE A 47 0.390 2.018 7.386 1.00 0.00 C ATOM 0 H ILE A 47 -3.146 5.216 8.876 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.921 3.872 6.388 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.205 4.114 8.308 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.601 1.475 6.802 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.011 2.946 6.053 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.944 2.182 9.748 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.423 3.103 10.110 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.528 1.567 9.218 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.847 1.430 6.590 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.971 2.926 7.546 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.372 1.433 8.305 1.00 0.00 H new ATOM 749 N MET A 48 -5.022 2.476 8.502 1.00 0.00 N ATOM 750 CA MET A 48 -6.124 1.511 8.543 1.00 0.00 C ATOM 751 C MET A 48 -7.220 1.818 7.517 1.00 0.00 C ATOM 752 O MET A 48 -7.586 0.920 6.760 1.00 0.00 O ATOM 753 CB MET A 48 -6.729 1.380 9.944 1.00 0.00 C ATOM 754 CG MET A 48 -5.778 0.646 10.887 1.00 0.00 C ATOM 755 SD MET A 48 -6.590 -0.055 12.346 1.00 0.00 S ATOM 756 CE MET A 48 -5.374 -1.335 12.747 1.00 0.00 C ATOM 0 H MET A 48 -4.949 3.061 9.334 1.00 0.00 H new ATOM 0 HA MET A 48 -5.680 0.553 8.274 1.00 0.00 H new ATOM 0 HB2 MET A 48 -6.949 2.370 10.343 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.675 0.842 9.886 1.00 0.00 H new ATOM 0 HG2 MET A 48 -5.284 -0.155 10.338 1.00 0.00 H new ATOM 0 HG3 MET A 48 -5.000 1.336 11.213 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.244 -1.388 13.828 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.724 -2.298 12.376 1.00 0.00 H new ATOM 0 HE3 MET A 48 -4.421 -1.091 12.278 1.00 0.00 H new ATOM 766 N GLU A 49 -7.741 3.051 7.449 1.00 0.00 N ATOM 767 CA GLU A 49 -8.778 3.378 6.457 1.00 0.00 C ATOM 768 C GLU A 49 -8.281 3.153 5.015 1.00 0.00 C ATOM 769 O GLU A 49 -9.004 2.585 4.198 1.00 0.00 O ATOM 770 CB GLU A 49 -9.392 4.779 6.678 1.00 0.00 C ATOM 771 CG GLU A 49 -8.535 5.976 6.235 1.00 0.00 C ATOM 772 CD GLU A 49 -9.211 7.332 6.538 1.00 0.00 C ATOM 773 OE1 GLU A 49 -10.295 7.611 5.966 1.00 0.00 O ATOM 774 OE2 GLU A 49 -8.642 8.155 7.298 1.00 0.00 O ATOM 0 H GLU A 49 -7.469 3.825 8.055 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.598 2.677 6.611 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.343 4.824 6.147 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.614 4.892 7.739 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.570 5.934 6.740 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.339 5.902 5.165 1.00 0.00 H new ATOM 781 N GLU A 50 -7.028 3.511 4.715 1.00 0.00 N ATOM 782 CA GLU A 50 -6.389 3.293 3.411 1.00 0.00 C ATOM 783 C GLU A 50 -6.176 1.793 3.111 1.00 0.00 C ATOM 784 O GLU A 50 -6.560 1.328 2.034 1.00 0.00 O ATOM 785 CB GLU A 50 -5.093 4.125 3.356 1.00 0.00 C ATOM 786 CG GLU A 50 -4.602 4.467 1.939 1.00 0.00 C ATOM 787 CD GLU A 50 -3.699 3.417 1.257 1.00 0.00 C ATOM 788 OE1 GLU A 50 -3.308 2.403 1.881 1.00 0.00 O ATOM 789 OE2 GLU A 50 -3.331 3.640 0.077 1.00 0.00 O ATOM 0 H GLU A 50 -6.415 3.971 5.388 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.048 3.636 2.613 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.251 5.054 3.904 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.306 3.579 3.876 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.473 4.632 1.305 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.057 5.410 1.984 1.00 0.00 H new ATOM 796 N LYS A 51 -5.668 1.011 4.077 1.00 0.00 N ATOM 797 CA LYS A 51 -5.532 -0.458 3.999 1.00 0.00 C ATOM 798 C LYS A 51 -6.860 -1.133 3.665 1.00 0.00 C ATOM 799 O LYS A 51 -6.921 -1.900 2.706 1.00 0.00 O ATOM 800 CB LYS A 51 -4.936 -0.996 5.316 1.00 0.00 C ATOM 801 CG LYS A 51 -4.795 -2.526 5.408 1.00 0.00 C ATOM 802 CD LYS A 51 -3.821 -3.109 4.374 1.00 0.00 C ATOM 803 CE LYS A 51 -3.423 -4.530 4.791 1.00 0.00 C ATOM 804 NZ LYS A 51 -2.527 -5.168 3.789 1.00 0.00 N ATOM 0 H LYS A 51 -5.330 1.392 4.961 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.850 -0.699 3.184 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.952 -0.550 5.457 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.561 -0.657 6.142 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.455 -2.793 6.408 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.775 -2.983 5.272 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.286 -3.125 3.389 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.935 -2.479 4.298 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.922 -4.498 5.759 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.320 -5.137 4.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.280 -6.127 4.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.014 -5.221 2.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.660 -4.602 3.688 1.00 0.00 H new ATOM 818 N ILE A 52 -7.919 -0.842 4.423 1.00 0.00 N ATOM 819 CA ILE A 52 -9.264 -1.398 4.202 1.00 0.00 C ATOM 820 C ILE A 52 -9.792 -1.002 2.813 1.00 0.00 C ATOM 821 O ILE A 52 -10.273 -1.865 2.080 1.00 0.00 O ATOM 822 CB ILE A 52 -10.238 -0.970 5.326 1.00 0.00 C ATOM 823 CG1 ILE A 52 -9.773 -1.461 6.718 1.00 0.00 C ATOM 824 CG2 ILE A 52 -11.650 -1.529 5.058 1.00 0.00 C ATOM 825 CD1 ILE A 52 -10.416 -0.671 7.868 1.00 0.00 C ATOM 0 H ILE A 52 -7.871 -0.206 5.219 1.00 0.00 H new ATOM 0 HA ILE A 52 -9.194 -2.485 4.234 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.254 0.120 5.327 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -10.017 -2.518 6.827 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.688 -1.376 6.786 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -12.322 -1.219 5.858 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -12.018 -1.147 4.106 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -11.609 -2.618 5.020 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -10.055 -1.057 8.821 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -10.150 0.382 7.779 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -11.500 -0.777 7.821 1.00 0.00 H new ATOM 837 N GLN A 53 -9.676 0.273 2.423 1.00 0.00 N ATOM 838 CA GLN A 53 -10.158 0.786 1.132 1.00 0.00 C ATOM 839 C GLN A 53 -9.493 0.095 -0.077 1.00 0.00 C ATOM 840 O GLN A 53 -10.170 -0.206 -1.063 1.00 0.00 O ATOM 841 CB GLN A 53 -9.945 2.312 1.088 1.00 0.00 C ATOM 842 CG GLN A 53 -10.718 3.029 -0.032 1.00 0.00 C ATOM 843 CD GLN A 53 -12.240 3.013 0.151 1.00 0.00 C ATOM 844 OE1 GLN A 53 -12.784 2.841 1.237 1.00 0.00 O ATOM 845 NE2 GLN A 53 -13.003 3.195 -0.906 1.00 0.00 N ATOM 0 H GLN A 53 -9.238 0.989 3.003 1.00 0.00 H new ATOM 0 HA GLN A 53 -11.221 0.557 1.054 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.242 2.736 2.047 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.881 2.515 0.966 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.380 4.064 -0.088 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -10.472 2.562 -0.986 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -12.579 3.341 -1.822 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -14.018 3.191 -0.809 1.00 0.00 H new ATOM 854 N ILE A 54 -8.182 -0.165 -0.008 1.00 0.00 N ATOM 855 CA ILE A 54 -7.391 -0.805 -1.073 1.00 0.00 C ATOM 856 C ILE A 54 -7.516 -2.341 -1.043 1.00 0.00 C ATOM 857 O ILE A 54 -7.874 -2.951 -2.053 1.00 0.00 O ATOM 858 CB ILE A 54 -5.919 -0.332 -0.984 1.00 0.00 C ATOM 859 CG1 ILE A 54 -5.775 1.193 -1.220 1.00 0.00 C ATOM 860 CG2 ILE A 54 -4.997 -1.096 -1.951 1.00 0.00 C ATOM 861 CD1 ILE A 54 -6.085 1.699 -2.636 1.00 0.00 C ATOM 0 H ILE A 54 -7.624 0.070 0.813 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.792 -0.495 -2.038 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.604 -0.554 0.036 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.433 1.710 -0.521 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.754 1.482 -0.970 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.977 -0.726 -1.849 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.023 -2.160 -1.715 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.338 -0.944 -2.975 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.948 2.780 -2.674 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.411 1.223 -3.348 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.116 1.454 -2.892 1.00 0.00 H new ATOM 873 N SER A 55 -7.207 -2.979 0.093 1.00 0.00 N ATOM 874 CA SER A 55 -7.138 -4.445 0.242 1.00 0.00 C ATOM 875 C SER A 55 -8.514 -5.121 0.368 1.00 0.00 C ATOM 876 O SER A 55 -8.730 -6.209 -0.174 1.00 0.00 O ATOM 877 CB SER A 55 -6.295 -4.784 1.479 1.00 0.00 C ATOM 878 OG SER A 55 -6.050 -6.179 1.556 1.00 0.00 O ATOM 0 H SER A 55 -6.992 -2.481 0.957 1.00 0.00 H new ATOM 0 HA SER A 55 -6.683 -4.832 -0.670 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.348 -4.246 1.438 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.812 -4.451 2.379 1.00 0.00 H new ATOM 0 HG SER A 55 -5.510 -6.373 2.350 1.00 0.00 H new ATOM 884 N GLY A 56 -9.451 -4.485 1.080 1.00 0.00 N ATOM 885 CA GLY A 56 -10.793 -4.998 1.401 1.00 0.00 C ATOM 886 C GLY A 56 -10.965 -5.490 2.850 1.00 0.00 C ATOM 887 O GLY A 56 -12.100 -5.685 3.292 1.00 0.00 O ATOM 0 H GLY A 56 -9.290 -3.555 1.467 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.523 -4.211 1.210 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.025 -5.819 0.723 1.00 0.00 H new ATOM 891 N SER A 57 -9.868 -5.649 3.603 1.00 0.00 N ATOM 892 CA SER A 57 -9.834 -6.093 5.011 1.00 0.00 C ATOM 893 C SER A 57 -8.831 -5.277 5.841 1.00 0.00 C ATOM 894 O SER A 57 -7.886 -4.704 5.294 1.00 0.00 O ATOM 895 CB SER A 57 -9.457 -7.582 5.094 1.00 0.00 C ATOM 896 OG SER A 57 -10.411 -8.399 4.428 1.00 0.00 O ATOM 0 H SER A 57 -8.935 -5.464 3.234 1.00 0.00 H new ATOM 0 HA SER A 57 -10.832 -5.938 5.421 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.473 -7.735 4.650 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.386 -7.883 6.139 1.00 0.00 H new ATOM 0 HG SER A 57 -10.142 -9.339 4.497 1.00 0.00 H new ATOM 902 N ASN A 58 -9.015 -5.237 7.165 1.00 0.00 N ATOM 903 CA ASN A 58 -8.100 -4.576 8.107 1.00 0.00 C ATOM 904 C ASN A 58 -6.931 -5.500 8.536 1.00 0.00 C ATOM 905 O ASN A 58 -6.927 -6.700 8.242 1.00 0.00 O ATOM 906 CB ASN A 58 -8.926 -4.071 9.314 1.00 0.00 C ATOM 907 CG ASN A 58 -8.286 -2.904 10.057 1.00 0.00 C ATOM 908 OD1 ASN A 58 -7.191 -2.451 9.757 1.00 0.00 O ATOM 909 ND2 ASN A 58 -8.959 -2.358 11.040 1.00 0.00 N ATOM 0 H ASN A 58 -9.818 -5.670 7.622 1.00 0.00 H new ATOM 0 HA ASN A 58 -7.625 -3.727 7.616 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.913 -3.769 8.965 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -9.073 -4.896 10.011 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -8.568 -1.563 11.546 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -9.874 -2.728 11.299 1.00 0.00 H new ATOM 916 N TYR A 59 -5.947 -4.951 9.254 1.00 0.00 N ATOM 917 CA TYR A 59 -4.824 -5.685 9.854 1.00 0.00 C ATOM 918 C TYR A 59 -5.273 -6.700 10.930 1.00 0.00 C ATOM 919 O TYR A 59 -6.329 -6.544 11.549 1.00 0.00 O ATOM 920 CB TYR A 59 -3.834 -4.674 10.455 1.00 0.00 C ATOM 921 CG TYR A 59 -3.173 -3.753 9.445 1.00 0.00 C ATOM 922 CD1 TYR A 59 -2.097 -4.225 8.671 1.00 0.00 C ATOM 923 CD2 TYR A 59 -3.619 -2.427 9.289 1.00 0.00 C ATOM 924 CE1 TYR A 59 -1.452 -3.372 7.758 1.00 0.00 C ATOM 925 CE2 TYR A 59 -2.982 -1.567 8.371 1.00 0.00 C ATOM 926 CZ TYR A 59 -1.895 -2.042 7.603 1.00 0.00 C ATOM 927 OH TYR A 59 -1.294 -1.244 6.683 1.00 0.00 O ATOM 0 H TYR A 59 -5.907 -3.949 9.441 1.00 0.00 H new ATOM 0 HA TYR A 59 -4.347 -6.267 9.065 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.360 -4.066 11.191 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -3.057 -5.221 10.990 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.765 -5.247 8.779 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.452 -2.067 9.875 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.618 -3.735 7.176 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.324 -0.549 8.255 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.965 -1.792 5.940 1.00 0.00 H new ATOM 937 N LYS A 60 -4.438 -7.724 11.176 1.00 0.00 N ATOM 938 CA LYS A 60 -4.710 -8.867 12.083 1.00 0.00 C ATOM 939 C LYS A 60 -3.627 -9.141 13.140 1.00 0.00 C ATOM 940 O LYS A 60 -3.914 -9.808 14.136 1.00 0.00 O ATOM 941 CB LYS A 60 -4.949 -10.129 11.229 1.00 0.00 C ATOM 942 CG LYS A 60 -6.312 -10.150 10.511 1.00 0.00 C ATOM 943 CD LYS A 60 -7.507 -10.445 11.436 1.00 0.00 C ATOM 944 CE LYS A 60 -7.480 -11.896 11.940 1.00 0.00 C ATOM 945 NZ LYS A 60 -8.630 -12.191 12.834 1.00 0.00 N ATOM 0 H LYS A 60 -3.520 -7.787 10.736 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.594 -8.594 12.659 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.156 -10.207 10.485 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.873 -11.008 11.869 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.470 -9.186 10.027 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.283 -10.902 9.722 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.489 -9.763 12.286 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.438 -10.262 10.900 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.497 -12.577 11.089 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.548 -12.078 12.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.577 -13.179 13.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.600 -11.558 13.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.519 -12.042 12.316 1.00 0.00 H new ATOM 959 N SER A 61 -2.417 -8.610 12.956 1.00 0.00 N ATOM 960 CA SER A 61 -1.286 -8.695 13.896 1.00 0.00 C ATOM 961 C SER A 61 -0.531 -7.365 13.930 1.00 0.00 C ATOM 962 O SER A 61 -0.480 -6.654 12.923 1.00 0.00 O ATOM 963 CB SER A 61 -0.313 -9.807 13.471 1.00 0.00 C ATOM 964 OG SER A 61 -0.939 -11.082 13.466 1.00 0.00 O ATOM 0 H SER A 61 -2.183 -8.085 12.113 1.00 0.00 H new ATOM 0 HA SER A 61 -1.684 -8.921 14.885 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.076 -9.589 12.476 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.539 -9.823 14.150 1.00 0.00 H new ATOM 0 HG SER A 61 -0.291 -11.763 13.190 1.00 0.00 H new ATOM 970 N LEU A 62 0.084 -7.021 15.067 1.00 0.00 N ATOM 971 CA LEU A 62 0.839 -5.768 15.191 1.00 0.00 C ATOM 972 C LEU A 62 2.042 -5.726 14.241 1.00 0.00 C ATOM 973 O LEU A 62 2.340 -4.662 13.716 1.00 0.00 O ATOM 974 CB LEU A 62 1.283 -5.517 16.647 1.00 0.00 C ATOM 975 CG LEU A 62 0.234 -4.920 17.609 1.00 0.00 C ATOM 976 CD1 LEU A 62 -0.305 -3.572 17.123 1.00 0.00 C ATOM 977 CD2 LEU A 62 -0.948 -5.854 17.867 1.00 0.00 C ATOM 0 H LEU A 62 0.074 -7.591 15.913 1.00 0.00 H new ATOM 0 HA LEU A 62 0.163 -4.964 14.900 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.625 -6.464 17.065 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.144 -4.848 16.628 1.00 0.00 H new ATOM 0 HG LEU A 62 0.774 -4.778 18.545 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.039 -3.196 17.835 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.517 -2.861 17.039 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.777 -3.699 16.149 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.648 -5.374 18.551 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.452 -6.072 16.925 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.588 -6.783 18.309 1.00 0.00 H new ATOM 989 N GLU A 63 2.687 -6.865 13.964 1.00 0.00 N ATOM 990 CA GLU A 63 3.841 -6.975 13.055 1.00 0.00 C ATOM 991 C GLU A 63 3.589 -6.312 11.690 1.00 0.00 C ATOM 992 O GLU A 63 4.340 -5.422 11.286 1.00 0.00 O ATOM 993 CB GLU A 63 4.226 -8.453 12.858 1.00 0.00 C ATOM 994 CG GLU A 63 4.731 -9.151 14.130 1.00 0.00 C ATOM 995 CD GLU A 63 6.014 -8.509 14.696 1.00 0.00 C ATOM 996 OE1 GLU A 63 7.043 -8.454 13.979 1.00 0.00 O ATOM 997 OE2 GLU A 63 6.008 -8.065 15.870 1.00 0.00 O ATOM 0 H GLU A 63 2.417 -7.759 14.374 1.00 0.00 H new ATOM 0 HA GLU A 63 4.665 -6.438 13.526 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.359 -8.995 12.481 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.999 -8.516 12.092 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.950 -9.121 14.890 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.922 -10.201 13.911 1.00 0.00 H new ATOM 1004 N VAL A 64 2.520 -6.712 10.989 1.00 0.00 N ATOM 1005 CA VAL A 64 2.134 -6.115 9.696 1.00 0.00 C ATOM 1006 C VAL A 64 1.705 -4.650 9.828 1.00 0.00 C ATOM 1007 O VAL A 64 2.037 -3.844 8.959 1.00 0.00 O ATOM 1008 CB VAL A 64 1.049 -6.928 8.960 1.00 0.00 C ATOM 1009 CG1 VAL A 64 1.647 -8.216 8.385 1.00 0.00 C ATOM 1010 CG2 VAL A 64 -0.159 -7.312 9.827 1.00 0.00 C ATOM 0 H VAL A 64 1.897 -7.458 11.299 1.00 0.00 H new ATOM 0 HA VAL A 64 3.038 -6.146 9.088 1.00 0.00 H new ATOM 0 HB VAL A 64 0.687 -6.264 8.175 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.870 -8.779 7.869 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.442 -7.966 7.682 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.056 -8.820 9.195 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.870 -7.881 9.228 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.175 -7.920 10.668 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.640 -6.408 10.201 1.00 0.00 H new ATOM 1020 N LEU A 65 1.023 -4.279 10.920 1.00 0.00 N ATOM 1021 CA LEU A 65 0.596 -2.900 11.176 1.00 0.00 C ATOM 1022 C LEU A 65 1.816 -1.961 11.307 1.00 0.00 C ATOM 1023 O LEU A 65 1.933 -0.979 10.573 1.00 0.00 O ATOM 1024 CB LEU A 65 -0.309 -2.857 12.431 1.00 0.00 C ATOM 1025 CG LEU A 65 -1.471 -1.836 12.403 1.00 0.00 C ATOM 1026 CD1 LEU A 65 -1.887 -1.519 13.843 1.00 0.00 C ATOM 1027 CD2 LEU A 65 -1.170 -0.507 11.711 1.00 0.00 C ATOM 0 H LEU A 65 0.751 -4.933 11.654 1.00 0.00 H new ATOM 0 HA LEU A 65 0.012 -2.541 10.328 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.730 -3.851 12.583 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.317 -2.640 13.297 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.254 -2.318 11.818 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.706 -0.800 13.835 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.212 -2.434 14.338 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.039 -1.097 14.382 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.053 0.132 11.750 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.342 -0.012 12.218 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.901 -0.691 10.671 1.00 0.00 H new ATOM 1039 N VAL A 66 2.741 -2.262 12.228 1.00 0.00 N ATOM 1040 CA VAL A 66 3.907 -1.418 12.553 1.00 0.00 C ATOM 1041 C VAL A 66 4.957 -1.388 11.439 1.00 0.00 C ATOM 1042 O VAL A 66 5.565 -0.342 11.213 1.00 0.00 O ATOM 1043 CB VAL A 66 4.544 -1.764 13.917 1.00 0.00 C ATOM 1044 CG1 VAL A 66 3.487 -1.741 15.034 1.00 0.00 C ATOM 1045 CG2 VAL A 66 5.313 -3.090 13.939 1.00 0.00 C ATOM 0 H VAL A 66 2.702 -3.117 12.782 1.00 0.00 H new ATOM 0 HA VAL A 66 3.506 -0.408 12.637 1.00 0.00 H new ATOM 0 HB VAL A 66 5.287 -0.986 14.094 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.958 -1.988 15.986 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.044 -0.747 15.095 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.709 -2.472 14.814 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.727 -3.254 14.934 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.637 -3.907 13.688 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.123 -3.053 13.211 1.00 0.00 H new ATOM 1055 N ALA A 67 5.133 -2.488 10.699 1.00 0.00 N ATOM 1056 CA ALA A 67 5.980 -2.532 9.506 1.00 0.00 C ATOM 1057 C ALA A 67 5.456 -1.588 8.408 1.00 0.00 C ATOM 1058 O ALA A 67 6.202 -0.750 7.895 1.00 0.00 O ATOM 1059 CB ALA A 67 6.074 -3.978 9.006 1.00 0.00 C ATOM 0 H ALA A 67 4.687 -3.380 10.915 1.00 0.00 H new ATOM 0 HA ALA A 67 6.979 -2.182 9.767 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.704 -4.015 8.117 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.508 -4.605 9.785 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.077 -4.343 8.760 1.00 0.00 H new ATOM 1065 N ASP A 68 4.168 -1.687 8.063 1.00 0.00 N ATOM 1066 CA ASP A 68 3.546 -0.804 7.074 1.00 0.00 C ATOM 1067 C ASP A 68 3.495 0.659 7.557 1.00 0.00 C ATOM 1068 O ASP A 68 3.696 1.555 6.738 1.00 0.00 O ATOM 1069 CB ASP A 68 2.162 -1.332 6.663 1.00 0.00 C ATOM 1070 CG ASP A 68 2.241 -2.477 5.630 1.00 0.00 C ATOM 1071 OD1 ASP A 68 3.001 -3.457 5.822 1.00 0.00 O ATOM 1072 OD2 ASP A 68 1.554 -2.392 4.583 1.00 0.00 O ATOM 0 H ASP A 68 3.531 -2.378 8.460 1.00 0.00 H new ATOM 0 HA ASP A 68 4.174 -0.807 6.183 1.00 0.00 H new ATOM 0 HB2 ASP A 68 1.635 -1.684 7.549 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.575 -0.513 6.247 1.00 0.00 H new ATOM 1077 N LEU A 69 3.324 0.926 8.861 1.00 0.00 N ATOM 1078 CA LEU A 69 3.454 2.267 9.454 1.00 0.00 C ATOM 1079 C LEU A 69 4.827 2.890 9.176 1.00 0.00 C ATOM 1080 O LEU A 69 4.883 3.940 8.535 1.00 0.00 O ATOM 1081 CB LEU A 69 3.167 2.248 10.967 1.00 0.00 C ATOM 1082 CG LEU A 69 1.678 2.279 11.347 1.00 0.00 C ATOM 1083 CD1 LEU A 69 1.516 1.902 12.819 1.00 0.00 C ATOM 1084 CD2 LEU A 69 1.071 3.674 11.160 1.00 0.00 C ATOM 0 H LEU A 69 3.088 0.206 9.544 1.00 0.00 H new ATOM 0 HA LEU A 69 2.703 2.893 8.972 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.617 1.353 11.396 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.661 3.104 11.426 1.00 0.00 H new ATOM 0 HG LEU A 69 1.165 1.572 10.694 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.460 1.925 13.086 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.910 0.899 12.983 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.062 2.613 13.439 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.018 3.653 11.439 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.600 4.388 11.791 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.164 3.974 10.116 1.00 0.00 H new ATOM 1096 N VAL A 70 5.933 2.279 9.629 1.00 0.00 N ATOM 1097 CA VAL A 70 7.276 2.860 9.401 1.00 0.00 C ATOM 1098 C VAL A 70 7.613 3.007 7.915 1.00 0.00 C ATOM 1099 O VAL A 70 8.312 3.948 7.544 1.00 0.00 O ATOM 1100 CB VAL A 70 8.422 2.128 10.129 1.00 0.00 C ATOM 1101 CG1 VAL A 70 8.212 2.126 11.643 1.00 0.00 C ATOM 1102 CG2 VAL A 70 8.649 0.683 9.670 1.00 0.00 C ATOM 0 H VAL A 70 5.932 1.400 10.146 1.00 0.00 H new ATOM 0 HA VAL A 70 7.204 3.853 9.845 1.00 0.00 H new ATOM 0 HB VAL A 70 9.312 2.698 9.863 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.038 1.602 12.124 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.173 3.153 12.006 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.275 1.622 11.880 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.473 0.247 10.235 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.744 0.101 9.841 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.892 0.673 8.608 1.00 0.00 H new ATOM 1112 N ASN A 71 7.089 2.127 7.054 1.00 0.00 N ATOM 1113 CA ASN A 71 7.263 2.207 5.604 1.00 0.00 C ATOM 1114 C ASN A 71 6.443 3.351 4.966 1.00 0.00 C ATOM 1115 O ASN A 71 6.957 4.076 4.115 1.00 0.00 O ATOM 1116 CB ASN A 71 6.929 0.838 4.990 1.00 0.00 C ATOM 1117 CG ASN A 71 7.432 0.727 3.558 1.00 0.00 C ATOM 1118 OD1 ASN A 71 8.607 0.912 3.272 1.00 0.00 O ATOM 1119 ND2 ASN A 71 6.574 0.419 2.612 1.00 0.00 N ATOM 0 H ASN A 71 6.526 1.330 7.351 1.00 0.00 H new ATOM 0 HA ASN A 71 8.303 2.453 5.389 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.375 0.049 5.595 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.850 0.683 5.010 1.00 0.00 H new ATOM 0 HD21 ASN A 71 6.889 0.335 1.645 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.593 0.264 2.844 1.00 0.00 H new ATOM 1126 N ALA A 72 5.191 3.557 5.388 1.00 0.00 N ATOM 1127 CA ALA A 72 4.339 4.668 4.944 1.00 0.00 C ATOM 1128 C ALA A 72 4.815 6.043 5.462 1.00 0.00 C ATOM 1129 O ALA A 72 4.593 7.063 4.807 1.00 0.00 O ATOM 1130 CB ALA A 72 2.897 4.383 5.385 1.00 0.00 C ATOM 0 H ALA A 72 4.731 2.944 6.061 1.00 0.00 H new ATOM 0 HA ALA A 72 4.399 4.729 3.857 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.250 5.199 5.063 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.556 3.451 4.935 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.859 4.297 6.471 1.00 0.00 H new ATOM 1136 N GLN A 73 5.492 6.077 6.616 1.00 0.00 N ATOM 1137 CA GLN A 73 6.132 7.271 7.193 1.00 0.00 C ATOM 1138 C GLN A 73 7.409 7.723 6.447 1.00 0.00 C ATOM 1139 O GLN A 73 7.902 8.824 6.708 1.00 0.00 O ATOM 1140 CB GLN A 73 6.443 7.002 8.679 1.00 0.00 C ATOM 1141 CG GLN A 73 5.191 6.984 9.574 1.00 0.00 C ATOM 1142 CD GLN A 73 4.677 8.386 9.898 1.00 0.00 C ATOM 1143 OE1 GLN A 73 5.236 9.112 10.711 1.00 0.00 O ATOM 1144 NE2 GLN A 73 3.594 8.819 9.290 1.00 0.00 N ATOM 0 H GLN A 73 5.615 5.247 7.196 1.00 0.00 H new ATOM 0 HA GLN A 73 5.427 8.095 7.087 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.957 6.045 8.767 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.129 7.767 9.043 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.403 6.418 9.077 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.421 6.462 10.503 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.118 8.225 8.611 1.00 0.00 H new ATOM 0 HE22 GLN A 73 3.230 9.749 9.498 1.00 0.00 H new ATOM 1153 N LYS A 74 7.951 6.920 5.515 1.00 0.00 N ATOM 1154 CA LYS A 74 9.061 7.322 4.625 1.00 0.00 C ATOM 1155 C LYS A 74 8.644 8.419 3.632 1.00 0.00 C ATOM 1156 O LYS A 74 7.464 8.730 3.475 1.00 0.00 O ATOM 1157 CB LYS A 74 9.629 6.099 3.871 1.00 0.00 C ATOM 1158 CG LYS A 74 10.168 4.966 4.758 1.00 0.00 C ATOM 1159 CD LYS A 74 11.238 5.422 5.766 1.00 0.00 C ATOM 1160 CE LYS A 74 11.831 4.251 6.562 1.00 0.00 C ATOM 1161 NZ LYS A 74 12.701 3.379 5.726 1.00 0.00 N ATOM 0 H LYS A 74 7.630 5.965 5.355 1.00 0.00 H new ATOM 0 HA LYS A 74 9.842 7.740 5.260 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.846 5.694 3.230 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.432 6.438 3.217 1.00 0.00 H new ATOM 0 HG2 LYS A 74 9.337 4.517 5.302 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.590 4.188 4.121 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.038 5.938 5.234 1.00 0.00 H new ATOM 0 HD3 LYS A 74 10.799 6.142 6.457 1.00 0.00 H new ATOM 0 HE2 LYS A 74 12.409 4.641 7.400 1.00 0.00 H new ATOM 0 HE3 LYS A 74 11.022 3.655 6.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 13.131 2.643 6.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 12.130 2.931 4.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 13.451 3.953 5.290 1.00 0.00 H new ATOM 1175 N ASP A 75 9.636 9.000 2.951 1.00 0.00 N ATOM 1176 CA ASP A 75 9.504 10.112 1.990 1.00 0.00 C ATOM 1177 C ASP A 75 8.838 11.386 2.576 1.00 0.00 C ATOM 1178 O ASP A 75 8.311 12.228 1.845 1.00 0.00 O ATOM 1179 CB ASP A 75 8.852 9.586 0.694 1.00 0.00 C ATOM 1180 CG ASP A 75 9.055 10.510 -0.522 1.00 0.00 C ATOM 1181 OD1 ASP A 75 10.181 11.027 -0.721 1.00 0.00 O ATOM 1182 OD2 ASP A 75 8.105 10.661 -1.328 1.00 0.00 O ATOM 0 H ASP A 75 10.604 8.696 3.057 1.00 0.00 H new ATOM 0 HA ASP A 75 10.503 10.471 1.742 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.263 8.603 0.464 1.00 0.00 H new ATOM 0 HB3 ASP A 75 7.783 9.453 0.864 1.00 0.00 H new ATOM 1187 N SER A 76 8.857 11.526 3.909 1.00 0.00 N ATOM 1188 CA SER A 76 8.274 12.641 4.674 1.00 0.00 C ATOM 1189 C SER A 76 9.326 13.694 5.059 1.00 0.00 C ATOM 1190 O SER A 76 9.154 14.883 4.774 1.00 0.00 O ATOM 1191 CB SER A 76 7.580 12.083 5.923 1.00 0.00 C ATOM 1192 OG SER A 76 6.940 13.120 6.649 1.00 0.00 O ATOM 0 H SER A 76 9.300 10.833 4.513 1.00 0.00 H new ATOM 0 HA SER A 76 7.545 13.147 4.041 1.00 0.00 H new ATOM 0 HB2 SER A 76 6.847 11.331 5.632 1.00 0.00 H new ATOM 0 HB3 SER A 76 8.312 11.585 6.559 1.00 0.00 H new ATOM 0 HG SER A 76 6.502 12.743 7.441 1.00 0.00 H new ATOM 1198 N MET A 77 10.433 13.272 5.688 1.00 0.00 N ATOM 1199 CA MET A 77 11.533 14.153 6.110 1.00 0.00 C ATOM 1200 C MET A 77 12.276 14.778 4.913 1.00 0.00 C ATOM 1201 O MET A 77 12.435 14.147 3.863 1.00 0.00 O ATOM 1202 CB MET A 77 12.529 13.372 6.988 1.00 0.00 C ATOM 1203 CG MET A 77 11.925 12.882 8.313 1.00 0.00 C ATOM 1204 SD MET A 77 11.266 14.165 9.424 1.00 0.00 S ATOM 1205 CE MET A 77 12.792 15.032 9.888 1.00 0.00 C ATOM 0 H MET A 77 10.592 12.292 5.922 1.00 0.00 H new ATOM 0 HA MET A 77 11.090 14.967 6.684 1.00 0.00 H new ATOM 0 HB2 MET A 77 12.900 12.514 6.428 1.00 0.00 H new ATOM 0 HB3 MET A 77 13.388 14.008 7.203 1.00 0.00 H new ATOM 0 HG2 MET A 77 11.121 12.182 8.084 1.00 0.00 H new ATOM 0 HG3 MET A 77 12.690 12.323 8.852 1.00 0.00 H new ATOM 0 HE1 MET A 77 12.563 15.803 10.624 1.00 0.00 H new ATOM 0 HE2 MET A 77 13.499 14.321 10.316 1.00 0.00 H new ATOM 0 HE3 MET A 77 13.232 15.493 9.004 1.00 0.00 H new ATOM 1215 N GLN A 78 12.776 16.005 5.092 1.00 0.00 N ATOM 1216 CA GLN A 78 13.565 16.757 4.108 1.00 0.00 C ATOM 1217 C GLN A 78 14.621 17.628 4.811 1.00 0.00 C ATOM 1218 O GLN A 78 14.294 18.438 5.682 1.00 0.00 O ATOM 1219 CB GLN A 78 12.616 17.616 3.250 1.00 0.00 C ATOM 1220 CG GLN A 78 13.342 18.299 2.076 1.00 0.00 C ATOM 1221 CD GLN A 78 12.428 19.186 1.226 1.00 0.00 C ATOM 1222 OE1 GLN A 78 11.430 19.738 1.674 1.00 0.00 O ATOM 1223 NE2 GLN A 78 12.735 19.375 -0.041 1.00 0.00 N ATOM 0 H GLN A 78 12.637 16.523 5.960 1.00 0.00 H new ATOM 0 HA GLN A 78 14.097 16.061 3.459 1.00 0.00 H new ATOM 0 HB2 GLN A 78 11.814 16.989 2.862 1.00 0.00 H new ATOM 0 HB3 GLN A 78 12.151 18.376 3.878 1.00 0.00 H new ATOM 0 HG2 GLN A 78 14.160 18.904 2.467 1.00 0.00 H new ATOM 0 HG3 GLN A 78 13.787 17.534 1.440 1.00 0.00 H new ATOM 0 HE21 GLN A 78 13.561 18.927 -0.438 1.00 0.00 H new ATOM 0 HE22 GLN A 78 12.147 19.970 -0.625 1.00 0.00 H new ATOM 1232 N ASP A 79 15.892 17.473 4.435 1.00 0.00 N ATOM 1233 CA ASP A 79 17.001 18.328 4.878 1.00 0.00 C ATOM 1234 C ASP A 79 16.875 19.752 4.296 1.00 0.00 C ATOM 1235 O ASP A 79 16.983 19.952 3.083 1.00 0.00 O ATOM 1236 CB ASP A 79 18.345 17.699 4.475 1.00 0.00 C ATOM 1237 CG ASP A 79 18.637 16.405 5.251 1.00 0.00 C ATOM 1238 OD1 ASP A 79 19.218 16.485 6.362 1.00 0.00 O ATOM 1239 OD2 ASP A 79 18.299 15.305 4.752 1.00 0.00 O ATOM 0 H ASP A 79 16.188 16.733 3.799 1.00 0.00 H new ATOM 0 HA ASP A 79 16.958 18.407 5.964 1.00 0.00 H new ATOM 0 HB2 ASP A 79 18.338 17.486 3.406 1.00 0.00 H new ATOM 0 HB3 ASP A 79 19.147 18.416 4.652 1.00 0.00 H new ATOM 1244 N GLU A 80 16.637 20.753 5.150 1.00 0.00 N ATOM 1245 CA GLU A 80 16.564 22.175 4.752 1.00 0.00 C ATOM 1246 C GLU A 80 17.924 22.788 4.347 1.00 0.00 C ATOM 1247 O GLU A 80 17.969 23.857 3.733 1.00 0.00 O ATOM 1248 CB GLU A 80 15.914 23.004 5.877 1.00 0.00 C ATOM 1249 CG GLU A 80 16.809 23.192 7.114 1.00 0.00 C ATOM 1250 CD GLU A 80 16.079 23.936 8.251 1.00 0.00 C ATOM 1251 OE1 GLU A 80 15.533 25.043 8.020 1.00 0.00 O ATOM 1252 OE2 GLU A 80 16.068 23.431 9.402 1.00 0.00 O ATOM 0 H GLU A 80 16.487 20.604 6.148 1.00 0.00 H new ATOM 0 HA GLU A 80 15.946 22.208 3.855 1.00 0.00 H new ATOM 0 HB2 GLU A 80 15.646 23.984 5.483 1.00 0.00 H new ATOM 0 HB3 GLU A 80 14.987 22.519 6.183 1.00 0.00 H new ATOM 0 HG2 GLU A 80 17.140 22.217 7.473 1.00 0.00 H new ATOM 0 HG3 GLU A 80 17.703 23.748 6.833 1.00 0.00 H new ATOM 1259 N SER A 81 19.029 22.115 4.688 1.00 0.00 N ATOM 1260 CA SER A 81 20.419 22.517 4.427 1.00 0.00 C ATOM 1261 C SER A 81 21.146 21.501 3.529 1.00 0.00 C ATOM 1262 O SER A 81 20.644 20.404 3.266 1.00 0.00 O ATOM 1263 CB SER A 81 21.146 22.696 5.769 1.00 0.00 C ATOM 1264 OG SER A 81 22.383 23.375 5.596 1.00 0.00 O ATOM 0 H SER A 81 18.976 21.224 5.182 1.00 0.00 H new ATOM 0 HA SER A 81 20.419 23.463 3.886 1.00 0.00 H new ATOM 0 HB2 SER A 81 20.513 23.257 6.457 1.00 0.00 H new ATOM 0 HB3 SER A 81 21.324 21.721 6.223 1.00 0.00 H new ATOM 0 HG SER A 81 22.824 23.477 6.465 1.00 0.00 H new ATOM 1270 N SER A 82 22.352 21.850 3.079 1.00 0.00 N ATOM 1271 CA SER A 82 23.157 21.109 2.092 1.00 0.00 C ATOM 1272 C SER A 82 24.421 20.483 2.707 1.00 0.00 C ATOM 1273 O SER A 82 25.435 20.323 2.029 1.00 0.00 O ATOM 1274 CB SER A 82 23.492 22.018 0.897 1.00 0.00 C ATOM 1275 OG SER A 82 22.301 22.505 0.288 1.00 0.00 O ATOM 0 H SER A 82 22.821 22.695 3.404 1.00 0.00 H new ATOM 0 HA SER A 82 22.557 20.272 1.735 1.00 0.00 H new ATOM 0 HB2 SER A 82 24.105 22.855 1.231 1.00 0.00 H new ATOM 0 HB3 SER A 82 24.080 21.464 0.166 1.00 0.00 H new ATOM 0 HG SER A 82 22.533 23.083 -0.469 1.00 0.00 H new ATOM 1281 N GLN A 83 24.388 20.138 4.002 1.00 0.00 N ATOM 1282 CA GLN A 83 25.522 19.565 4.752 1.00 0.00 C ATOM 1283 C GLN A 83 26.081 18.247 4.169 1.00 0.00 C ATOM 1284 O GLN A 83 27.243 17.906 4.407 1.00 0.00 O ATOM 1285 CB GLN A 83 25.140 19.437 6.242 1.00 0.00 C ATOM 1286 CG GLN A 83 24.014 18.435 6.587 1.00 0.00 C ATOM 1287 CD GLN A 83 24.443 16.966 6.686 1.00 0.00 C ATOM 1288 OE1 GLN A 83 25.600 16.615 6.874 1.00 0.00 O ATOM 1289 NE2 GLN A 83 23.517 16.037 6.579 1.00 0.00 N ATOM 0 H GLN A 83 23.551 20.252 4.574 1.00 0.00 H new ATOM 0 HA GLN A 83 26.355 20.261 4.650 1.00 0.00 H new ATOM 0 HB2 GLN A 83 26.032 19.151 6.799 1.00 0.00 H new ATOM 0 HB3 GLN A 83 24.842 20.421 6.602 1.00 0.00 H new ATOM 0 HG2 GLN A 83 23.568 18.730 7.537 1.00 0.00 H new ATOM 0 HG3 GLN A 83 23.234 18.517 5.830 1.00 0.00 H new ATOM 0 HE21 GLN A 83 22.545 16.302 6.422 1.00 0.00 H new ATOM 0 HE22 GLN A 83 23.772 15.052 6.653 1.00 0.00 H new ATOM 1298 N THR A 84 25.279 17.522 3.381 1.00 0.00 N ATOM 1299 CA THR A 84 25.639 16.288 2.661 1.00 0.00 C ATOM 1300 C THR A 84 26.697 16.513 1.570 1.00 0.00 C ATOM 1301 O THR A 84 27.767 15.904 1.620 1.00 0.00 O ATOM 1302 CB THR A 84 24.385 15.647 2.039 1.00 0.00 C ATOM 1303 OG1 THR A 84 23.608 16.629 1.379 1.00 0.00 O ATOM 1304 CG2 THR A 84 23.495 14.998 3.099 1.00 0.00 C ATOM 0 H THR A 84 24.309 17.792 3.218 1.00 0.00 H new ATOM 0 HA THR A 84 26.077 15.617 3.400 1.00 0.00 H new ATOM 0 HB THR A 84 24.736 14.888 1.340 1.00 0.00 H new ATOM 0 HG1 THR A 84 22.815 16.209 0.986 1.00 0.00 H new ATOM 0 HG21 THR A 84 22.621 14.557 2.620 1.00 0.00 H new ATOM 0 HG22 THR A 84 24.055 14.220 3.618 1.00 0.00 H new ATOM 0 HG23 THR A 84 23.173 15.753 3.816 1.00 0.00 H new ATOM 1312 N SER A 85 26.406 17.363 0.575 1.00 0.00 N ATOM 1313 CA SER A 85 27.222 17.624 -0.633 1.00 0.00 C ATOM 1314 C SER A 85 27.721 16.354 -1.358 1.00 0.00 C ATOM 1315 O SER A 85 28.837 16.322 -1.886 1.00 0.00 O ATOM 1316 CB SER A 85 28.378 18.590 -0.313 1.00 0.00 C ATOM 1317 OG SER A 85 27.887 19.855 0.105 1.00 0.00 O ATOM 0 H SER A 85 25.551 17.919 0.586 1.00 0.00 H new ATOM 0 HA SER A 85 26.550 18.101 -1.346 1.00 0.00 H new ATOM 0 HB2 SER A 85 29.006 18.164 0.469 1.00 0.00 H new ATOM 0 HB3 SER A 85 29.007 18.714 -1.195 1.00 0.00 H new ATOM 0 HG SER A 85 27.226 19.730 0.818 1.00 0.00 H new ATOM 1323 N LEU A 86 26.909 15.288 -1.376 1.00 0.00 N ATOM 1324 CA LEU A 86 27.235 13.973 -1.954 1.00 0.00 C ATOM 1325 C LEU A 86 26.050 13.339 -2.710 1.00 0.00 C ATOM 1326 O LEU A 86 24.914 13.812 -2.619 1.00 0.00 O ATOM 1327 CB LEU A 86 27.830 13.068 -0.848 1.00 0.00 C ATOM 1328 CG LEU A 86 26.927 12.738 0.363 1.00 0.00 C ATOM 1329 CD1 LEU A 86 25.915 11.621 0.087 1.00 0.00 C ATOM 1330 CD2 LEU A 86 27.788 12.281 1.543 1.00 0.00 C ATOM 0 H LEU A 86 25.972 15.317 -0.974 1.00 0.00 H new ATOM 0 HA LEU A 86 27.993 14.102 -2.726 1.00 0.00 H new ATOM 0 HB2 LEU A 86 28.133 12.128 -1.309 1.00 0.00 H new ATOM 0 HB3 LEU A 86 28.735 13.545 -0.473 1.00 0.00 H new ATOM 0 HG LEU A 86 26.379 13.655 0.580 1.00 0.00 H new ATOM 0 HD11 LEU A 86 25.316 11.444 0.980 1.00 0.00 H new ATOM 0 HD12 LEU A 86 25.262 11.916 -0.735 1.00 0.00 H new ATOM 0 HD13 LEU A 86 26.446 10.707 -0.181 1.00 0.00 H new ATOM 0 HD21 LEU A 86 27.147 12.050 2.393 1.00 0.00 H new ATOM 0 HD22 LEU A 86 28.350 11.391 1.260 1.00 0.00 H new ATOM 0 HD23 LEU A 86 28.481 13.076 1.817 1.00 0.00 H new ATOM 1342 N GLN A 87 26.322 12.250 -3.437 1.00 0.00 N ATOM 1343 CA GLN A 87 25.339 11.453 -4.195 1.00 0.00 C ATOM 1344 C GLN A 87 25.410 9.960 -3.829 1.00 0.00 C ATOM 1345 O GLN A 87 24.407 9.372 -3.416 1.00 0.00 O ATOM 1346 CB GLN A 87 25.546 11.646 -5.710 1.00 0.00 C ATOM 1347 CG GLN A 87 25.216 13.067 -6.193 1.00 0.00 C ATOM 1348 CD GLN A 87 25.312 13.175 -7.716 1.00 0.00 C ATOM 1349 OE1 GLN A 87 24.486 12.661 -8.460 1.00 0.00 O ATOM 1350 NE2 GLN A 87 26.320 13.837 -8.249 1.00 0.00 N ATOM 0 H GLN A 87 27.269 11.881 -3.520 1.00 0.00 H new ATOM 0 HA GLN A 87 24.346 11.810 -3.924 1.00 0.00 H new ATOM 0 HB2 GLN A 87 26.582 11.416 -5.960 1.00 0.00 H new ATOM 0 HB3 GLN A 87 24.922 10.933 -6.249 1.00 0.00 H new ATOM 0 HG2 GLN A 87 24.211 13.338 -5.870 1.00 0.00 H new ATOM 0 HG3 GLN A 87 25.902 13.778 -5.732 1.00 0.00 H new ATOM 0 HE21 GLN A 87 27.019 14.273 -7.647 1.00 0.00 H new ATOM 0 HE22 GLN A 87 26.401 13.913 -9.263 1.00 0.00 H new ATOM 1359 N LYS A 88 26.597 9.353 -3.967 1.00 0.00 N ATOM 1360 CA LYS A 88 26.911 7.944 -3.670 1.00 0.00 C ATOM 1361 C LYS A 88 28.209 7.814 -2.866 1.00 0.00 C ATOM 1362 O LYS A 88 29.020 8.741 -2.811 1.00 0.00 O ATOM 1363 CB LYS A 88 27.007 7.157 -4.997 1.00 0.00 C ATOM 1364 CG LYS A 88 25.643 6.740 -5.582 1.00 0.00 C ATOM 1365 CD LYS A 88 24.944 5.621 -4.788 1.00 0.00 C ATOM 1366 CE LYS A 88 25.672 4.275 -4.933 1.00 0.00 C ATOM 1367 NZ LYS A 88 25.291 3.334 -3.852 1.00 0.00 N ATOM 0 H LYS A 88 27.413 9.860 -4.309 1.00 0.00 H new ATOM 0 HA LYS A 88 26.112 7.528 -3.056 1.00 0.00 H new ATOM 0 HB2 LYS A 88 27.534 7.767 -5.731 1.00 0.00 H new ATOM 0 HB3 LYS A 88 27.609 6.263 -4.834 1.00 0.00 H new ATOM 0 HG2 LYS A 88 24.990 7.612 -5.615 1.00 0.00 H new ATOM 0 HG3 LYS A 88 25.785 6.409 -6.611 1.00 0.00 H new ATOM 0 HD2 LYS A 88 24.898 5.897 -3.735 1.00 0.00 H new ATOM 0 HD3 LYS A 88 23.916 5.517 -5.135 1.00 0.00 H new ATOM 0 HE2 LYS A 88 25.435 3.834 -5.901 1.00 0.00 H new ATOM 0 HE3 LYS A 88 26.749 4.438 -4.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 25.691 2.395 -4.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 25.660 3.681 -2.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 24.255 3.265 -3.801 1.00 0.00 H new ATOM 1381 N GLU A 89 28.417 6.640 -2.276 1.00 0.00 N ATOM 1382 CA GLU A 89 29.614 6.254 -1.519 1.00 0.00 C ATOM 1383 C GLU A 89 30.485 5.252 -2.303 1.00 0.00 C ATOM 1384 O GLU A 89 29.977 4.373 -3.004 1.00 0.00 O ATOM 1385 CB GLU A 89 29.226 5.722 -0.122 1.00 0.00 C ATOM 1386 CG GLU A 89 28.320 4.477 -0.066 1.00 0.00 C ATOM 1387 CD GLU A 89 26.871 4.758 -0.511 1.00 0.00 C ATOM 1388 OE1 GLU A 89 26.045 5.215 0.312 1.00 0.00 O ATOM 1389 OE2 GLU A 89 26.550 4.527 -1.702 1.00 0.00 O ATOM 0 H GLU A 89 27.724 5.892 -2.312 1.00 0.00 H new ATOM 0 HA GLU A 89 30.225 7.145 -1.373 1.00 0.00 H new ATOM 0 HB2 GLU A 89 30.144 5.495 0.420 1.00 0.00 H new ATOM 0 HB3 GLU A 89 28.727 6.526 0.419 1.00 0.00 H new ATOM 0 HG2 GLU A 89 28.744 3.699 -0.701 1.00 0.00 H new ATOM 0 HG3 GLU A 89 28.311 4.088 0.952 1.00 0.00 H new ATOM 1396 N ILE A 90 31.810 5.379 -2.173 1.00 0.00 N ATOM 1397 CA ILE A 90 32.811 4.500 -2.813 1.00 0.00 C ATOM 1398 C ILE A 90 33.194 3.282 -1.942 1.00 0.00 C ATOM 1399 O ILE A 90 33.869 2.362 -2.407 1.00 0.00 O ATOM 1400 CB ILE A 90 34.025 5.354 -3.254 1.00 0.00 C ATOM 1401 CG1 ILE A 90 34.918 4.604 -4.267 1.00 0.00 C ATOM 1402 CG2 ILE A 90 34.840 5.871 -2.052 1.00 0.00 C ATOM 1403 CD1 ILE A 90 35.811 5.536 -5.097 1.00 0.00 C ATOM 0 H ILE A 90 32.233 6.114 -1.606 1.00 0.00 H new ATOM 0 HA ILE A 90 32.368 4.052 -3.703 1.00 0.00 H new ATOM 0 HB ILE A 90 33.622 6.229 -3.764 1.00 0.00 H new ATOM 0 HG12 ILE A 90 35.546 3.893 -3.730 1.00 0.00 H new ATOM 0 HG13 ILE A 90 34.285 4.025 -4.939 1.00 0.00 H new ATOM 0 HG21 ILE A 90 35.681 6.465 -2.411 1.00 0.00 H new ATOM 0 HG22 ILE A 90 34.203 6.489 -1.419 1.00 0.00 H new ATOM 0 HG23 ILE A 90 35.213 5.025 -1.475 1.00 0.00 H new ATOM 0 HD11 ILE A 90 36.412 4.944 -5.788 1.00 0.00 H new ATOM 0 HD12 ILE A 90 35.188 6.230 -5.661 1.00 0.00 H new ATOM 0 HD13 ILE A 90 36.469 6.096 -4.433 1.00 0.00 H new ATOM 1415 N SER A 91 32.720 3.248 -0.692 1.00 0.00 N ATOM 1416 CA SER A 91 33.003 2.222 0.322 1.00 0.00 C ATOM 1417 C SER A 91 31.708 1.535 0.759 1.00 0.00 C ATOM 1418 O SER A 91 30.924 2.108 1.519 1.00 0.00 O ATOM 1419 CB SER A 91 33.711 2.847 1.534 1.00 0.00 C ATOM 1420 OG SER A 91 34.944 3.442 1.150 1.00 0.00 O ATOM 0 H SER A 91 32.095 3.973 -0.340 1.00 0.00 H new ATOM 0 HA SER A 91 33.663 1.474 -0.117 1.00 0.00 H new ATOM 0 HB2 SER A 91 33.066 3.599 1.989 1.00 0.00 H new ATOM 0 HB3 SER A 91 33.891 2.082 2.289 1.00 0.00 H new ATOM 0 HG SER A 91 35.377 3.835 1.937 1.00 0.00 H new ATOM 1426 N THR A 92 31.461 0.312 0.283 1.00 0.00 N ATOM 1427 CA THR A 92 30.260 -0.489 0.602 1.00 0.00 C ATOM 1428 C THR A 92 30.057 -0.676 2.112 1.00 0.00 C ATOM 1429 O THR A 92 28.926 -0.691 2.592 1.00 0.00 O ATOM 1430 CB THR A 92 30.332 -1.865 -0.087 1.00 0.00 C ATOM 1431 OG1 THR A 92 30.666 -1.704 -1.453 1.00 0.00 O ATOM 1432 CG2 THR A 92 29.007 -2.630 -0.035 1.00 0.00 C ATOM 0 H THR A 92 32.101 -0.167 -0.351 1.00 0.00 H new ATOM 0 HA THR A 92 29.403 0.069 0.224 1.00 0.00 H new ATOM 0 HB THR A 92 31.089 -2.433 0.454 1.00 0.00 H new ATOM 0 HG1 THR A 92 30.712 -2.583 -1.884 1.00 0.00 H new ATOM 0 HG21 THR A 92 29.122 -3.591 -0.537 1.00 0.00 H new ATOM 0 HG22 THR A 92 28.723 -2.795 1.004 1.00 0.00 H new ATOM 0 HG23 THR A 92 28.232 -2.050 -0.536 1.00 0.00 H new ATOM 1440 N GLU A 93 31.143 -0.735 2.887 1.00 0.00 N ATOM 1441 CA GLU A 93 31.155 -0.811 4.356 1.00 0.00 C ATOM 1442 C GLU A 93 30.424 0.368 5.030 1.00 0.00 C ATOM 1443 O GLU A 93 29.873 0.218 6.123 1.00 0.00 O ATOM 1444 CB GLU A 93 32.609 -0.860 4.863 1.00 0.00 C ATOM 1445 CG GLU A 93 33.406 -2.114 4.455 1.00 0.00 C ATOM 1446 CD GLU A 93 33.798 -2.197 2.961 1.00 0.00 C ATOM 1447 OE1 GLU A 93 33.874 -1.151 2.270 1.00 0.00 O ATOM 1448 OE2 GLU A 93 34.031 -3.326 2.464 1.00 0.00 O ATOM 0 H GLU A 93 32.083 -0.731 2.492 1.00 0.00 H new ATOM 0 HA GLU A 93 30.619 -1.721 4.626 1.00 0.00 H new ATOM 0 HB2 GLU A 93 33.135 0.021 4.494 1.00 0.00 H new ATOM 0 HB3 GLU A 93 32.600 -0.793 5.951 1.00 0.00 H new ATOM 0 HG2 GLU A 93 34.316 -2.156 5.054 1.00 0.00 H new ATOM 0 HG3 GLU A 93 32.817 -2.996 4.708 1.00 0.00 H new ATOM 1455 N GLU A 94 30.368 1.534 4.376 1.00 0.00 N ATOM 1456 CA GLU A 94 29.609 2.699 4.841 1.00 0.00 C ATOM 1457 C GLU A 94 28.092 2.426 4.816 1.00 0.00 C ATOM 1458 O GLU A 94 27.382 2.793 5.753 1.00 0.00 O ATOM 1459 CB GLU A 94 29.999 3.933 4.005 1.00 0.00 C ATOM 1460 CG GLU A 94 29.872 5.269 4.754 1.00 0.00 C ATOM 1461 CD GLU A 94 28.423 5.738 5.002 1.00 0.00 C ATOM 1462 OE1 GLU A 94 27.623 5.800 4.037 1.00 0.00 O ATOM 1463 OE2 GLU A 94 28.100 6.114 6.155 1.00 0.00 O ATOM 0 H GLU A 94 30.856 1.696 3.495 1.00 0.00 H new ATOM 0 HA GLU A 94 29.862 2.902 5.882 1.00 0.00 H new ATOM 0 HB2 GLU A 94 31.028 3.817 3.665 1.00 0.00 H new ATOM 0 HB3 GLU A 94 29.371 3.968 3.115 1.00 0.00 H new ATOM 0 HG2 GLU A 94 30.379 5.180 5.715 1.00 0.00 H new ATOM 0 HG3 GLU A 94 30.396 6.038 4.187 1.00 0.00 H new ATOM 1470 N GLN A 95 27.592 1.704 3.807 1.00 0.00 N ATOM 1471 CA GLN A 95 26.179 1.310 3.712 1.00 0.00 C ATOM 1472 C GLN A 95 25.765 0.347 4.839 1.00 0.00 C ATOM 1473 O GLN A 95 24.650 0.450 5.358 1.00 0.00 O ATOM 1474 CB GLN A 95 25.873 0.680 2.340 1.00 0.00 C ATOM 1475 CG GLN A 95 26.191 1.615 1.163 1.00 0.00 C ATOM 1476 CD GLN A 95 25.782 1.004 -0.175 1.00 0.00 C ATOM 1477 OE1 GLN A 95 26.597 0.511 -0.944 1.00 0.00 O ATOM 1478 NE2 GLN A 95 24.506 0.998 -0.508 1.00 0.00 N ATOM 0 H GLN A 95 28.160 1.373 3.027 1.00 0.00 H new ATOM 0 HA GLN A 95 25.592 2.222 3.824 1.00 0.00 H new ATOM 0 HB2 GLN A 95 26.449 -0.239 2.232 1.00 0.00 H new ATOM 0 HB3 GLN A 95 24.820 0.402 2.301 1.00 0.00 H new ATOM 0 HG2 GLN A 95 25.673 2.564 1.303 1.00 0.00 H new ATOM 0 HG3 GLN A 95 27.259 1.834 1.151 1.00 0.00 H new ATOM 0 HE21 GLN A 95 23.813 1.404 0.121 1.00 0.00 H new ATOM 0 HE22 GLN A 95 24.212 0.587 -1.394 1.00 0.00 H new ATOM 1487 N LEU A 96 26.660 -0.558 5.258 1.00 0.00 N ATOM 1488 CA LEU A 96 26.420 -1.483 6.374 1.00 0.00 C ATOM 1489 C LEU A 96 26.231 -0.725 7.702 1.00 0.00 C ATOM 1490 O LEU A 96 25.255 -0.976 8.412 1.00 0.00 O ATOM 1491 CB LEU A 96 27.546 -2.533 6.486 1.00 0.00 C ATOM 1492 CG LEU A 96 27.423 -3.726 5.516 1.00 0.00 C ATOM 1493 CD1 LEU A 96 27.733 -3.374 4.061 1.00 0.00 C ATOM 1494 CD2 LEU A 96 28.399 -4.829 5.935 1.00 0.00 C ATOM 0 H LEU A 96 27.578 -0.670 4.828 1.00 0.00 H new ATOM 0 HA LEU A 96 25.492 -2.015 6.163 1.00 0.00 H new ATOM 0 HB2 LEU A 96 28.502 -2.039 6.311 1.00 0.00 H new ATOM 0 HB3 LEU A 96 27.566 -2.915 7.507 1.00 0.00 H new ATOM 0 HG LEU A 96 26.383 -4.046 5.572 1.00 0.00 H new ATOM 0 HD11 LEU A 96 27.625 -4.264 3.441 1.00 0.00 H new ATOM 0 HD12 LEU A 96 27.041 -2.606 3.717 1.00 0.00 H new ATOM 0 HD13 LEU A 96 28.755 -3.001 3.987 1.00 0.00 H new ATOM 0 HD21 LEU A 96 28.312 -5.672 5.249 1.00 0.00 H new ATOM 0 HD22 LEU A 96 29.418 -4.443 5.908 1.00 0.00 H new ATOM 0 HD23 LEU A 96 28.163 -5.159 6.947 1.00 0.00 H new ATOM 1506 N ARG A 97 27.116 0.228 8.038 1.00 0.00 N ATOM 1507 CA ARG A 97 26.958 1.065 9.249 1.00 0.00 C ATOM 1508 C ARG A 97 25.773 2.046 9.183 1.00 0.00 C ATOM 1509 O ARG A 97 25.262 2.432 10.232 1.00 0.00 O ATOM 1510 CB ARG A 97 28.274 1.763 9.641 1.00 0.00 C ATOM 1511 CG ARG A 97 28.747 2.834 8.648 1.00 0.00 C ATOM 1512 CD ARG A 97 29.966 3.627 9.148 1.00 0.00 C ATOM 1513 NE ARG A 97 31.197 3.320 8.388 1.00 0.00 N ATOM 1514 CZ ARG A 97 32.078 2.359 8.606 1.00 0.00 C ATOM 1515 NH1 ARG A 97 31.953 1.504 9.580 1.00 0.00 N ATOM 1516 NH2 ARG A 97 33.124 2.245 7.839 1.00 0.00 N ATOM 0 H ARG A 97 27.950 0.442 7.491 1.00 0.00 H new ATOM 0 HA ARG A 97 26.705 0.371 10.051 1.00 0.00 H new ATOM 0 HB2 ARG A 97 28.148 2.224 10.621 1.00 0.00 H new ATOM 0 HB3 ARG A 97 29.055 1.009 9.742 1.00 0.00 H new ATOM 0 HG2 ARG A 97 28.996 2.357 7.700 1.00 0.00 H new ATOM 0 HG3 ARG A 97 27.928 3.525 8.451 1.00 0.00 H new ATOM 0 HD2 ARG A 97 29.755 4.694 9.075 1.00 0.00 H new ATOM 0 HD3 ARG A 97 30.130 3.406 10.203 1.00 0.00 H new ATOM 0 HE ARG A 97 31.391 3.929 7.593 1.00 0.00 H new ATOM 0 HH11 ARG A 97 31.152 1.561 10.209 1.00 0.00 H new ATOM 0 HH12 ARG A 97 32.656 0.777 9.714 1.00 0.00 H new ATOM 0 HH21 ARG A 97 33.265 2.898 7.068 1.00 0.00 H new ATOM 0 HH22 ARG A 97 33.803 1.503 8.009 1.00 0.00 H new ATOM 1530 N ARG A 98 25.304 2.415 7.982 1.00 0.00 N ATOM 1531 CA ARG A 98 24.107 3.256 7.757 1.00 0.00 C ATOM 1532 C ARG A 98 22.795 2.528 8.096 1.00 0.00 C ATOM 1533 O ARG A 98 21.838 3.170 8.525 1.00 0.00 O ATOM 1534 CB ARG A 98 24.137 3.788 6.306 1.00 0.00 C ATOM 1535 CG ARG A 98 23.408 5.123 6.049 1.00 0.00 C ATOM 1536 CD ARG A 98 21.885 5.055 5.860 1.00 0.00 C ATOM 1537 NE ARG A 98 21.498 4.188 4.728 1.00 0.00 N ATOM 1538 CZ ARG A 98 20.342 3.573 4.551 1.00 0.00 C ATOM 1539 NH1 ARG A 98 19.379 3.642 5.427 1.00 0.00 N ATOM 1540 NH2 ARG A 98 20.127 2.870 3.476 1.00 0.00 N ATOM 0 H ARG A 98 25.756 2.131 7.113 1.00 0.00 H new ATOM 0 HA ARG A 98 24.137 4.102 8.444 1.00 0.00 H new ATOM 0 HB2 ARG A 98 25.179 3.904 6.006 1.00 0.00 H new ATOM 0 HB3 ARG A 98 23.701 3.030 5.655 1.00 0.00 H new ATOM 0 HG2 ARG A 98 23.617 5.791 6.885 1.00 0.00 H new ATOM 0 HG3 ARG A 98 23.841 5.581 5.159 1.00 0.00 H new ATOM 0 HD2 ARG A 98 21.424 4.682 6.775 1.00 0.00 H new ATOM 0 HD3 ARG A 98 21.497 6.060 5.694 1.00 0.00 H new ATOM 0 HE ARG A 98 22.201 4.049 4.003 1.00 0.00 H new ATOM 0 HH11 ARG A 98 19.505 4.184 6.282 1.00 0.00 H new ATOM 0 HH12 ARG A 98 18.499 3.154 5.257 1.00 0.00 H new ATOM 0 HH21 ARG A 98 20.853 2.792 2.764 1.00 0.00 H new ATOM 0 HH22 ARG A 98 19.232 2.398 3.346 1.00 0.00 H new ATOM 1554 N LEU A 99 22.745 1.197 7.948 1.00 0.00 N ATOM 1555 CA LEU A 99 21.574 0.370 8.286 1.00 0.00 C ATOM 1556 C LEU A 99 21.199 0.465 9.779 1.00 0.00 C ATOM 1557 O LEU A 99 20.036 0.709 10.109 1.00 0.00 O ATOM 1558 CB LEU A 99 21.837 -1.089 7.859 1.00 0.00 C ATOM 1559 CG LEU A 99 20.643 -2.043 8.076 1.00 0.00 C ATOM 1560 CD1 LEU A 99 19.454 -1.709 7.172 1.00 0.00 C ATOM 1561 CD2 LEU A 99 21.068 -3.483 7.789 1.00 0.00 C ATOM 0 H LEU A 99 23.528 0.654 7.584 1.00 0.00 H new ATOM 0 HA LEU A 99 20.714 0.754 7.737 1.00 0.00 H new ATOM 0 HB2 LEU A 99 22.110 -1.102 6.804 1.00 0.00 H new ATOM 0 HB3 LEU A 99 22.695 -1.468 8.415 1.00 0.00 H new ATOM 0 HG LEU A 99 20.333 -1.923 9.114 1.00 0.00 H new ATOM 0 HD11 LEU A 99 18.642 -2.410 7.365 1.00 0.00 H new ATOM 0 HD12 LEU A 99 19.114 -0.694 7.378 1.00 0.00 H new ATOM 0 HD13 LEU A 99 19.758 -1.785 6.128 1.00 0.00 H new ATOM 0 HD21 LEU A 99 20.220 -4.150 7.944 1.00 0.00 H new ATOM 0 HD22 LEU A 99 21.408 -3.563 6.757 1.00 0.00 H new ATOM 0 HD23 LEU A 99 21.879 -3.764 8.461 1.00 0.00 H new ATOM 1573 N GLN A 100 22.169 0.257 10.679 1.00 0.00 N ATOM 1574 CA GLN A 100 21.974 0.386 12.132 1.00 0.00 C ATOM 1575 C GLN A 100 21.811 1.852 12.589 1.00 0.00 C ATOM 1576 O GLN A 100 22.281 2.788 11.939 1.00 0.00 O ATOM 1577 CB GLN A 100 23.118 -0.315 12.893 1.00 0.00 C ATOM 1578 CG GLN A 100 24.523 0.255 12.625 1.00 0.00 C ATOM 1579 CD GLN A 100 25.580 -0.338 13.559 1.00 0.00 C ATOM 1580 OE1 GLN A 100 25.499 -0.247 14.777 1.00 0.00 O ATOM 1581 NE2 GLN A 100 26.621 -0.959 13.041 1.00 0.00 N ATOM 0 H GLN A 100 23.119 -0.008 10.419 1.00 0.00 H new ATOM 0 HA GLN A 100 21.035 -0.112 12.374 1.00 0.00 H new ATOM 0 HB2 GLN A 100 22.915 -0.252 13.962 1.00 0.00 H new ATOM 0 HB3 GLN A 100 23.115 -1.373 12.629 1.00 0.00 H new ATOM 0 HG2 GLN A 100 24.802 0.055 11.591 1.00 0.00 H new ATOM 0 HG3 GLN A 100 24.502 1.338 12.745 1.00 0.00 H new ATOM 0 HE21 GLN A 100 26.710 -1.047 12.029 1.00 0.00 H new ATOM 0 HE22 GLN A 100 27.337 -1.351 13.652 1.00 0.00 H new ATOM 1590 N GLU A 101 21.180 2.056 13.749 1.00 0.00 N ATOM 1591 CA GLU A 101 21.046 3.363 14.409 1.00 0.00 C ATOM 1592 C GLU A 101 22.235 3.622 15.353 1.00 0.00 C ATOM 1593 O GLU A 101 22.301 3.082 16.461 1.00 0.00 O ATOM 1594 CB GLU A 101 19.691 3.443 15.135 1.00 0.00 C ATOM 1595 CG GLU A 101 19.412 4.850 15.682 1.00 0.00 C ATOM 1596 CD GLU A 101 18.033 4.911 16.364 1.00 0.00 C ATOM 1597 OE1 GLU A 101 17.022 5.209 15.682 1.00 0.00 O ATOM 1598 OE2 GLU A 101 17.952 4.674 17.594 1.00 0.00 O ATOM 0 H GLU A 101 20.736 1.300 14.270 1.00 0.00 H new ATOM 0 HA GLU A 101 21.066 4.153 13.658 1.00 0.00 H new ATOM 0 HB2 GLU A 101 18.895 3.157 14.448 1.00 0.00 H new ATOM 0 HB3 GLU A 101 19.677 2.726 15.956 1.00 0.00 H new ATOM 0 HG2 GLU A 101 20.188 5.127 16.396 1.00 0.00 H new ATOM 0 HG3 GLU A 101 19.453 5.575 14.869 1.00 0.00 H new ATOM 1605 N GLU A 102 23.203 4.428 14.909 1.00 0.00 N ATOM 1606 CA GLU A 102 24.358 4.870 15.706 1.00 0.00 C ATOM 1607 C GLU A 102 23.899 5.727 16.910 1.00 0.00 C ATOM 1608 O GLU A 102 23.438 6.861 16.736 1.00 0.00 O ATOM 1609 CB GLU A 102 25.351 5.604 14.781 1.00 0.00 C ATOM 1610 CG GLU A 102 26.768 5.750 15.354 1.00 0.00 C ATOM 1611 CD GLU A 102 26.880 6.824 16.453 1.00 0.00 C ATOM 1612 OE1 GLU A 102 26.929 8.034 16.124 1.00 0.00 O ATOM 1613 OE2 GLU A 102 26.950 6.457 17.650 1.00 0.00 O ATOM 0 H GLU A 102 23.208 4.803 13.960 1.00 0.00 H new ATOM 0 HA GLU A 102 24.874 4.011 16.134 1.00 0.00 H new ATOM 0 HB2 GLU A 102 25.410 5.068 13.834 1.00 0.00 H new ATOM 0 HB3 GLU A 102 24.958 6.597 14.562 1.00 0.00 H new ATOM 0 HG2 GLU A 102 27.087 4.791 15.761 1.00 0.00 H new ATOM 0 HG3 GLU A 102 27.455 5.997 14.544 1.00 0.00 H new ATOM 1620 N LYS A 103 23.985 5.167 18.126 1.00 0.00 N ATOM 1621 CA LYS A 103 23.504 5.752 19.392 1.00 0.00 C ATOM 1622 C LYS A 103 24.635 5.849 20.428 1.00 0.00 C ATOM 1623 O LYS A 103 25.101 4.825 20.939 1.00 0.00 O ATOM 1624 CB LYS A 103 22.313 4.922 19.905 1.00 0.00 C ATOM 1625 CG LYS A 103 21.592 5.592 21.089 1.00 0.00 C ATOM 1626 CD LYS A 103 20.559 4.672 21.765 1.00 0.00 C ATOM 1627 CE LYS A 103 19.514 4.084 20.804 1.00 0.00 C ATOM 1628 NZ LYS A 103 18.623 5.127 20.235 1.00 0.00 N ATOM 0 H LYS A 103 24.412 4.251 18.263 1.00 0.00 H new ATOM 0 HA LYS A 103 23.166 6.774 19.217 1.00 0.00 H new ATOM 0 HB2 LYS A 103 21.604 4.769 19.091 1.00 0.00 H new ATOM 0 HB3 LYS A 103 22.666 3.937 20.209 1.00 0.00 H new ATOM 0 HG2 LYS A 103 22.331 5.903 21.827 1.00 0.00 H new ATOM 0 HG3 LYS A 103 21.092 6.495 20.738 1.00 0.00 H new ATOM 0 HD2 LYS A 103 21.085 3.854 22.257 1.00 0.00 H new ATOM 0 HD3 LYS A 103 20.044 5.234 22.544 1.00 0.00 H new ATOM 0 HE2 LYS A 103 20.022 3.561 19.994 1.00 0.00 H new ATOM 0 HE3 LYS A 103 18.913 3.344 21.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 18.555 5.001 19.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 17.676 5.043 20.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 19.013 6.068 20.444 1.00 0.00 H new ATOM 1642 N LEU A 104 25.068 7.078 20.733 1.00 0.00 N ATOM 1643 CA LEU A 104 26.069 7.423 21.758 1.00 0.00 C ATOM 1644 C LEU A 104 25.417 7.709 23.126 1.00 0.00 C ATOM 1645 O LEU A 104 24.545 8.606 23.207 1.00 0.00 O ATOM 1646 CB LEU A 104 26.921 8.599 21.223 1.00 0.00 C ATOM 1647 CG LEU A 104 28.068 9.046 22.147 1.00 0.00 C ATOM 1648 CD1 LEU A 104 29.088 7.932 22.390 1.00 0.00 C ATOM 1649 CD2 LEU A 104 28.796 10.226 21.504 1.00 0.00 C ATOM 1650 OXT LEU A 104 25.777 7.025 24.111 1.00 0.00 O ATOM 0 H LEU A 104 24.714 7.903 20.249 1.00 0.00 H new ATOM 0 HA LEU A 104 26.727 6.574 21.942 1.00 0.00 H new ATOM 0 HB2 LEU A 104 27.342 8.314 20.259 1.00 0.00 H new ATOM 0 HB3 LEU A 104 26.265 9.451 21.045 1.00 0.00 H new ATOM 0 HG LEU A 104 27.626 9.320 23.105 1.00 0.00 H new ATOM 0 HD11 LEU A 104 29.877 8.298 23.048 1.00 0.00 H new ATOM 0 HD12 LEU A 104 28.593 7.080 22.856 1.00 0.00 H new ATOM 0 HD13 LEU A 104 29.523 7.623 21.439 1.00 0.00 H new ATOM 0 HD21 LEU A 104 29.610 10.548 22.153 1.00 0.00 H new ATOM 0 HD22 LEU A 104 29.200 9.922 20.538 1.00 0.00 H new ATOM 0 HD23 LEU A 104 28.097 11.050 21.361 1.00 0.00 H new TER 1662 LEU A 104