USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 859 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 43 TYR OH : rot -94:sc= 0.0134 USER MOD Set 1.2: A 47 LYS NZ :NH3+ -150:sc= -0.0111 (180deg=-0.995!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 10:sc= 0.784 USER MOD Single : A 5 SER OG : rot 33:sc= 0.351 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0094 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot -62:sc= 0.0191 USER MOD Single : A 17 GLN : amide:sc= -5.96! K(o=-6!,f=-3.6) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -2.65! K(o=-2.6!,f=-1.1) USER MOD Single : A 23 SER OG : rot -120:sc= -0.757 USER MOD Single : A 24 MET CE :methyl 170:sc= 0 (180deg=-0.207) USER MOD Single : A 25 ASN : amide:sc=-0.00651 K(o=-0.0065,f=-1.1) USER MOD Single : A 26 GLN : amide:sc= -0.474 X(o=-0.47,f=-0.018) USER MOD Single : A 28 LYS NZ :NH3+ -131:sc= -0.868 (180deg=-2.02) USER MOD Single : A 31 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0427) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 123:sc= -0.17 (180deg=-0.714) USER MOD Single : A 41 LYS NZ :NH3+ -139:sc= -2.52! (180deg=-5.45!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -7.93! C(o=-7.9!,f=-14!) USER MOD Single : A 50 THR OG1 : rot -92:sc= 0.526 USER MOD Single : A 54 CYS SG : rot 137:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.106 X(o=-0.11,f=-0.27) USER MOD Single : A 56 MET CE :methyl -157:sc= -0.729 (180deg=-2.31!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.238 X(o=-0.24,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 173:sc= -0.402 (180deg=-0.482) USER MOD Single : A 69 LYS NZ :NH3+ 159:sc= 0.0765 (180deg=0.0253) USER MOD Single : A 74 ASN : amide:sc= -0.0395 X(o=-0.039,f=-0.15) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -155:sc= -1.63 (180deg=-3.81!) USER MOD Single : A 86 GLN : amide:sc= -2.61 K(o=-2.6,f=-5.9!) USER MOD Single : A 87 ASN : amide:sc= -1.81! C(o=-1.8!,f=-6.8!) USER MOD Single : A 88 TYR OH : rot 180:sc= -1.51 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 140:sc= -0.907 USER MOD Single : A 98 SER OG : rot 35:sc= 0.418 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.720 -28.541 0.230 1.00 0.00 N ATOM 2 CA GLY A 1 -25.184 -27.208 0.025 1.00 0.00 C ATOM 3 C GLY A 1 -26.209 -26.255 -0.556 1.00 0.00 C ATOM 4 O GLY A 1 -27.212 -25.944 0.086 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.981 -29.155 0.629 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.524 -28.495 0.888 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.040 -28.930 -0.680 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.824 -26.814 0.975 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.325 -27.264 -0.643 1.00 0.00 H new ATOM 8 N SER A 2 -25.957 -25.787 -1.775 1.00 0.00 N ATOM 9 CA SER A 2 -26.863 -24.859 -2.440 1.00 0.00 C ATOM 10 C SER A 2 -27.166 -23.660 -1.546 1.00 0.00 C ATOM 11 O SER A 2 -28.311 -23.220 -1.446 1.00 0.00 O ATOM 12 CB SER A 2 -28.165 -25.568 -2.820 1.00 0.00 C ATOM 13 OG SER A 2 -28.773 -24.950 -3.941 1.00 0.00 O ATOM 0 H SER A 2 -25.133 -26.036 -2.322 1.00 0.00 H new ATOM 0 HA SER A 2 -26.375 -24.500 -3.346 1.00 0.00 H new ATOM 0 HB2 SER A 2 -27.961 -26.615 -3.044 1.00 0.00 H new ATOM 0 HB3 SER A 2 -28.852 -25.551 -1.974 1.00 0.00 H new ATOM 0 HG SER A 2 -29.602 -25.422 -4.165 1.00 0.00 H new ATOM 19 N SER A 3 -26.130 -23.137 -0.898 1.00 0.00 N ATOM 20 CA SER A 3 -26.284 -21.992 -0.008 1.00 0.00 C ATOM 21 C SER A 3 -25.272 -20.902 -0.347 1.00 0.00 C ATOM 22 O SER A 3 -24.064 -21.095 -0.209 1.00 0.00 O ATOM 23 CB SER A 3 -26.115 -22.425 1.449 1.00 0.00 C ATOM 24 OG SER A 3 -24.762 -22.728 1.738 1.00 0.00 O ATOM 0 H SER A 3 -25.175 -23.488 -0.973 1.00 0.00 H new ATOM 0 HA SER A 3 -27.287 -21.588 -0.145 1.00 0.00 H new ATOM 0 HB2 SER A 3 -26.462 -21.631 2.110 1.00 0.00 H new ATOM 0 HB3 SER A 3 -26.737 -23.298 1.646 1.00 0.00 H new ATOM 0 HG SER A 3 -24.197 -22.448 0.988 1.00 0.00 H new ATOM 30 N GLY A 4 -25.774 -19.754 -0.791 1.00 0.00 N ATOM 31 CA GLY A 4 -24.902 -18.649 -1.143 1.00 0.00 C ATOM 32 C GLY A 4 -24.264 -18.825 -2.507 1.00 0.00 C ATOM 33 O GLY A 4 -23.501 -19.766 -2.726 1.00 0.00 O ATOM 0 H GLY A 4 -26.770 -19.569 -0.913 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -25.473 -17.721 -1.130 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.120 -18.553 -0.389 1.00 0.00 H new ATOM 37 N SER A 5 -24.578 -17.919 -3.428 1.00 0.00 N ATOM 38 CA SER A 5 -24.035 -17.982 -4.779 1.00 0.00 C ATOM 39 C SER A 5 -22.510 -18.008 -4.751 1.00 0.00 C ATOM 40 O SER A 5 -21.873 -17.103 -4.212 1.00 0.00 O ATOM 41 CB SER A 5 -24.521 -16.788 -5.603 1.00 0.00 C ATOM 42 OG SER A 5 -23.941 -15.580 -5.142 1.00 0.00 O ATOM 0 H SER A 5 -25.206 -17.133 -3.262 1.00 0.00 H new ATOM 0 HA SER A 5 -24.388 -18.903 -5.243 1.00 0.00 H new ATOM 0 HB2 SER A 5 -24.268 -16.939 -6.652 1.00 0.00 H new ATOM 0 HB3 SER A 5 -25.607 -16.719 -5.544 1.00 0.00 H new ATOM 0 HG SER A 5 -23.039 -15.759 -4.804 1.00 0.00 H new ATOM 48 N SER A 6 -21.930 -19.052 -5.335 1.00 0.00 N ATOM 49 CA SER A 6 -20.480 -19.199 -5.374 1.00 0.00 C ATOM 50 C SER A 6 -19.970 -19.176 -6.812 1.00 0.00 C ATOM 51 O SER A 6 -20.400 -19.970 -7.648 1.00 0.00 O ATOM 52 CB SER A 6 -20.060 -20.502 -4.693 1.00 0.00 C ATOM 53 OG SER A 6 -18.652 -20.573 -4.551 1.00 0.00 O ATOM 0 H SER A 6 -22.443 -19.809 -5.788 1.00 0.00 H new ATOM 0 HA SER A 6 -20.040 -18.359 -4.837 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.531 -20.572 -3.713 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.413 -21.352 -5.278 1.00 0.00 H new ATOM 0 HG SER A 6 -18.410 -21.415 -4.111 1.00 0.00 H new ATOM 59 N GLY A 7 -19.050 -18.258 -7.092 1.00 0.00 N ATOM 60 CA GLY A 7 -18.496 -18.147 -8.429 1.00 0.00 C ATOM 61 C GLY A 7 -17.913 -16.775 -8.703 1.00 0.00 C ATOM 62 O GLY A 7 -18.476 -15.761 -8.292 1.00 0.00 O ATOM 0 H GLY A 7 -18.678 -17.589 -6.417 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.720 -18.901 -8.561 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.275 -18.360 -9.161 1.00 0.00 H new ATOM 66 N MET A 8 -16.781 -16.743 -9.399 1.00 0.00 N ATOM 67 CA MET A 8 -16.122 -15.484 -9.727 1.00 0.00 C ATOM 68 C MET A 8 -16.800 -14.808 -10.914 1.00 0.00 C ATOM 69 O MET A 8 -16.990 -15.421 -11.964 1.00 0.00 O ATOM 70 CB MET A 8 -14.643 -15.725 -10.039 1.00 0.00 C ATOM 71 CG MET A 8 -13.823 -16.124 -8.823 1.00 0.00 C ATOM 72 SD MET A 8 -13.498 -14.736 -7.718 1.00 0.00 S ATOM 73 CE MET A 8 -11.707 -14.741 -7.686 1.00 0.00 C ATOM 0 H MET A 8 -16.301 -17.574 -9.746 1.00 0.00 H new ATOM 0 HA MET A 8 -16.202 -14.825 -8.863 1.00 0.00 H new ATOM 0 HB2 MET A 8 -14.562 -16.507 -10.794 1.00 0.00 H new ATOM 0 HB3 MET A 8 -14.219 -14.819 -10.472 1.00 0.00 H new ATOM 0 HG2 MET A 8 -14.350 -16.904 -8.274 1.00 0.00 H new ATOM 0 HG3 MET A 8 -12.876 -16.551 -9.153 1.00 0.00 H new ATOM 0 HE1 MET A 8 -11.352 -13.936 -7.042 1.00 0.00 H new ATOM 0 HE2 MET A 8 -11.353 -15.697 -7.301 1.00 0.00 H new ATOM 0 HE3 MET A 8 -11.325 -14.593 -8.696 1.00 0.00 H new ATOM 83 N ASN A 9 -17.163 -13.542 -10.740 1.00 0.00 N ATOM 84 CA ASN A 9 -17.822 -12.783 -11.798 1.00 0.00 C ATOM 85 C ASN A 9 -16.809 -11.959 -12.588 1.00 0.00 C ATOM 86 O ASN A 9 -16.908 -11.840 -13.809 1.00 0.00 O ATOM 87 CB ASN A 9 -18.891 -11.864 -11.204 1.00 0.00 C ATOM 88 CG ASN A 9 -20.005 -12.637 -10.524 1.00 0.00 C ATOM 89 OD1 ASN A 9 -21.017 -12.963 -11.144 1.00 0.00 O ATOM 90 ND2 ASN A 9 -19.823 -12.933 -9.243 1.00 0.00 N ATOM 0 H ASN A 9 -17.012 -13.019 -9.877 1.00 0.00 H new ATOM 0 HA ASN A 9 -18.297 -13.491 -12.477 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -18.427 -11.190 -10.483 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -19.313 -11.244 -11.995 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -20.538 -13.451 -8.733 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -18.968 -12.642 -8.769 1.00 0.00 H new ATOM 97 N ARG A 10 -15.835 -11.394 -11.882 1.00 0.00 N ATOM 98 CA ARG A 10 -14.805 -10.581 -12.516 1.00 0.00 C ATOM 99 C ARG A 10 -13.460 -11.301 -12.504 1.00 0.00 C ATOM 100 O ARG A 10 -12.948 -11.667 -11.445 1.00 0.00 O ATOM 101 CB ARG A 10 -14.679 -9.232 -11.806 1.00 0.00 C ATOM 102 CG ARG A 10 -15.907 -8.349 -11.955 1.00 0.00 C ATOM 103 CD ARG A 10 -15.861 -7.543 -13.244 1.00 0.00 C ATOM 104 NE ARG A 10 -17.076 -6.758 -13.443 1.00 0.00 N ATOM 105 CZ ARG A 10 -17.165 -5.743 -14.295 1.00 0.00 C ATOM 106 NH1 ARG A 10 -16.114 -5.392 -15.023 1.00 0.00 N ATOM 107 NH2 ARG A 10 -18.305 -5.077 -14.420 1.00 0.00 N ATOM 0 H ARG A 10 -15.738 -11.485 -10.871 1.00 0.00 H new ATOM 0 HA ARG A 10 -15.099 -10.412 -13.552 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -14.492 -9.405 -10.746 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -13.811 -8.703 -12.200 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -16.805 -8.967 -11.943 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -15.975 -7.672 -11.104 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -14.998 -6.877 -13.224 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -15.723 -8.218 -14.089 1.00 0.00 H new ATOM 0 HE ARG A 10 -17.902 -7.003 -12.897 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -15.235 -5.902 -14.929 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -16.184 -4.612 -15.677 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -19.116 -5.344 -13.861 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -18.371 -4.298 -15.075 1.00 0.00 H new ATOM 121 N THR A 11 -12.891 -11.503 -13.688 1.00 0.00 N ATOM 122 CA THR A 11 -11.607 -12.181 -13.814 1.00 0.00 C ATOM 123 C THR A 11 -10.567 -11.567 -12.883 1.00 0.00 C ATOM 124 O THR A 11 -10.472 -10.346 -12.763 1.00 0.00 O ATOM 125 CB THR A 11 -11.081 -12.124 -15.261 1.00 0.00 C ATOM 126 OG1 THR A 11 -12.137 -12.431 -16.178 1.00 0.00 O ATOM 127 CG2 THR A 11 -9.931 -13.101 -15.458 1.00 0.00 C ATOM 0 H THR A 11 -13.300 -11.206 -14.574 1.00 0.00 H new ATOM 0 HA THR A 11 -11.771 -13.222 -13.535 1.00 0.00 H new ATOM 0 HB THR A 11 -10.716 -11.115 -15.452 1.00 0.00 H new ATOM 0 HG1 THR A 11 -11.795 -12.391 -17.096 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.576 -13.043 -16.487 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.117 -12.847 -14.779 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.275 -14.114 -15.249 1.00 0.00 H new ATOM 135 N ALA A 12 -9.789 -12.421 -12.227 1.00 0.00 N ATOM 136 CA ALA A 12 -8.754 -11.962 -11.309 1.00 0.00 C ATOM 137 C ALA A 12 -8.047 -10.725 -11.853 1.00 0.00 C ATOM 138 O ALA A 12 -7.960 -10.532 -13.066 1.00 0.00 O ATOM 139 CB ALA A 12 -7.750 -13.074 -11.047 1.00 0.00 C ATOM 0 H ALA A 12 -9.856 -13.435 -12.314 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.232 -11.690 -10.368 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.983 -12.717 -10.360 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.262 -13.930 -10.607 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.285 -13.373 -11.986 1.00 0.00 H new ATOM 145 N MET A 13 -7.544 -9.891 -10.949 1.00 0.00 N ATOM 146 CA MET A 13 -6.844 -8.673 -11.340 1.00 0.00 C ATOM 147 C MET A 13 -5.752 -8.327 -10.333 1.00 0.00 C ATOM 148 O MET A 13 -5.896 -8.577 -9.136 1.00 0.00 O ATOM 149 CB MET A 13 -7.830 -7.509 -11.460 1.00 0.00 C ATOM 150 CG MET A 13 -8.523 -7.436 -12.811 1.00 0.00 C ATOM 151 SD MET A 13 -9.538 -5.957 -12.993 1.00 0.00 S ATOM 152 CE MET A 13 -10.986 -6.638 -13.799 1.00 0.00 C ATOM 0 H MET A 13 -7.608 -10.036 -9.941 1.00 0.00 H new ATOM 0 HA MET A 13 -6.378 -8.847 -12.310 1.00 0.00 H new ATOM 0 HB2 MET A 13 -8.584 -7.601 -10.678 1.00 0.00 H new ATOM 0 HB3 MET A 13 -7.299 -6.574 -11.282 1.00 0.00 H new ATOM 0 HG2 MET A 13 -7.773 -7.456 -13.601 1.00 0.00 H new ATOM 0 HG3 MET A 13 -9.148 -8.319 -12.942 1.00 0.00 H new ATOM 0 HE1 MET A 13 -11.710 -5.843 -13.980 1.00 0.00 H new ATOM 0 HE2 MET A 13 -10.696 -7.087 -14.749 1.00 0.00 H new ATOM 0 HE3 MET A 13 -11.434 -7.398 -13.160 1.00 0.00 H new ATOM 162 N ARG A 14 -4.660 -7.751 -10.826 1.00 0.00 N ATOM 163 CA ARG A 14 -3.543 -7.373 -9.969 1.00 0.00 C ATOM 164 C ARG A 14 -2.943 -6.043 -10.414 1.00 0.00 C ATOM 165 O ARG A 14 -3.196 -5.577 -11.524 1.00 0.00 O ATOM 166 CB ARG A 14 -2.467 -8.461 -9.987 1.00 0.00 C ATOM 167 CG ARG A 14 -2.805 -9.665 -9.123 1.00 0.00 C ATOM 168 CD ARG A 14 -2.631 -9.356 -7.644 1.00 0.00 C ATOM 169 NE ARG A 14 -1.267 -9.609 -7.189 1.00 0.00 N ATOM 170 CZ ARG A 14 -0.746 -10.825 -7.066 1.00 0.00 C ATOM 171 NH1 ARG A 14 -1.473 -11.894 -7.364 1.00 0.00 N ATOM 172 NH2 ARG A 14 0.503 -10.974 -6.645 1.00 0.00 N ATOM 0 H ARG A 14 -4.525 -7.536 -11.814 1.00 0.00 H new ATOM 0 HA ARG A 14 -3.920 -7.261 -8.952 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -2.315 -8.793 -11.014 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -1.524 -8.033 -9.647 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -3.833 -9.973 -9.313 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.165 -10.503 -9.398 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -2.887 -8.313 -7.459 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -3.325 -9.963 -7.063 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.682 -8.808 -6.952 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -2.434 -11.783 -7.688 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -1.071 -12.827 -7.269 1.00 0.00 H new ATOM 0 HH21 ARG A 14 1.065 -10.154 -6.415 1.00 0.00 H new ATOM 0 HH22 ARG A 14 0.902 -11.908 -6.551 1.00 0.00 H new ATOM 186 N ALA A 15 -2.147 -5.436 -9.538 1.00 0.00 N ATOM 187 CA ALA A 15 -1.510 -4.160 -9.841 1.00 0.00 C ATOM 188 C ALA A 15 0.001 -4.317 -9.964 1.00 0.00 C ATOM 189 O ALA A 15 0.577 -5.286 -9.469 1.00 0.00 O ATOM 190 CB ALA A 15 -1.851 -3.133 -8.772 1.00 0.00 C ATOM 0 H ALA A 15 -1.928 -5.808 -8.614 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.892 -3.810 -10.800 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.369 -2.185 -9.011 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -2.931 -2.991 -8.735 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.498 -3.486 -7.803 1.00 0.00 H new ATOM 196 N SER A 16 0.639 -3.358 -10.628 1.00 0.00 N ATOM 197 CA SER A 16 2.084 -3.393 -10.820 1.00 0.00 C ATOM 198 C SER A 16 2.755 -2.222 -10.108 1.00 0.00 C ATOM 199 O SER A 16 2.084 -1.370 -9.526 1.00 0.00 O ATOM 200 CB SER A 16 2.423 -3.358 -12.312 1.00 0.00 C ATOM 201 OG SER A 16 2.319 -2.043 -12.828 1.00 0.00 O ATOM 0 H SER A 16 0.178 -2.548 -11.042 1.00 0.00 H new ATOM 0 HA SER A 16 2.460 -4.322 -10.391 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.434 -3.734 -12.467 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.750 -4.020 -12.857 1.00 0.00 H new ATOM 0 HG SER A 16 1.396 -1.727 -12.734 1.00 0.00 H new ATOM 207 N GLN A 17 4.082 -2.188 -10.159 1.00 0.00 N ATOM 208 CA GLN A 17 4.844 -1.123 -9.519 1.00 0.00 C ATOM 209 C GLN A 17 4.273 0.246 -9.876 1.00 0.00 C ATOM 210 O GLN A 17 3.744 0.953 -9.018 1.00 0.00 O ATOM 211 CB GLN A 17 6.315 -1.198 -9.933 1.00 0.00 C ATOM 212 CG GLN A 17 7.222 -0.281 -9.128 1.00 0.00 C ATOM 213 CD GLN A 17 7.123 1.167 -9.565 1.00 0.00 C ATOM 214 OE1 GLN A 17 7.870 1.617 -10.435 1.00 0.00 O ATOM 215 NE2 GLN A 17 6.200 1.906 -8.962 1.00 0.00 N ATOM 0 H GLN A 17 4.652 -2.886 -10.637 1.00 0.00 H new ATOM 0 HA GLN A 17 4.770 -1.258 -8.440 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.662 -2.225 -9.824 1.00 0.00 H new ATOM 0 HB3 GLN A 17 6.400 -0.943 -10.989 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.964 -0.356 -8.072 1.00 0.00 H new ATOM 0 HG3 GLN A 17 8.254 -0.617 -9.228 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.603 1.492 -8.246 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.088 2.888 -9.214 1.00 0.00 H new ATOM 224 N LYS A 18 4.383 0.614 -11.147 1.00 0.00 N ATOM 225 CA LYS A 18 3.877 1.897 -11.620 1.00 0.00 C ATOM 226 C LYS A 18 2.513 2.201 -11.010 1.00 0.00 C ATOM 227 O LYS A 18 2.252 3.324 -10.577 1.00 0.00 O ATOM 228 CB LYS A 18 3.778 1.899 -13.147 1.00 0.00 C ATOM 229 CG LYS A 18 3.885 3.283 -13.762 1.00 0.00 C ATOM 230 CD LYS A 18 4.018 3.213 -15.274 1.00 0.00 C ATOM 231 CE LYS A 18 5.447 2.905 -15.693 1.00 0.00 C ATOM 232 NZ LYS A 18 5.514 2.362 -17.079 1.00 0.00 N ATOM 0 H LYS A 18 4.819 0.041 -11.870 1.00 0.00 H new ATOM 0 HA LYS A 18 4.576 2.673 -11.308 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.567 1.268 -13.555 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.828 1.452 -13.442 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.003 3.868 -13.500 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.747 3.802 -13.344 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.350 2.445 -15.664 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.705 4.161 -15.712 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.048 3.812 -15.629 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.882 2.185 -14.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.505 2.165 -17.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.962 1.483 -17.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.123 3.059 -17.744 1.00 0.00 H new ATOM 246 N ASP A 19 1.646 1.195 -10.979 1.00 0.00 N ATOM 247 CA ASP A 19 0.309 1.355 -10.420 1.00 0.00 C ATOM 248 C ASP A 19 0.379 1.762 -8.952 1.00 0.00 C ATOM 249 O ASP A 19 -0.434 2.557 -8.478 1.00 0.00 O ATOM 250 CB ASP A 19 -0.486 0.056 -10.564 1.00 0.00 C ATOM 251 CG ASP A 19 -1.208 -0.036 -11.894 1.00 0.00 C ATOM 252 OD1 ASP A 19 -2.270 0.605 -12.037 1.00 0.00 O ATOM 253 OD2 ASP A 19 -0.712 -0.750 -12.791 1.00 0.00 O ATOM 0 H ASP A 19 1.845 0.260 -11.335 1.00 0.00 H new ATOM 0 HA ASP A 19 -0.197 2.145 -10.974 1.00 0.00 H new ATOM 0 HB2 ASP A 19 0.189 -0.793 -10.461 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.212 -0.014 -9.754 1.00 0.00 H new ATOM 258 N PHE A 20 1.354 1.213 -8.236 1.00 0.00 N ATOM 259 CA PHE A 20 1.529 1.517 -6.821 1.00 0.00 C ATOM 260 C PHE A 20 1.880 2.989 -6.621 1.00 0.00 C ATOM 261 O PHE A 20 1.164 3.720 -5.938 1.00 0.00 O ATOM 262 CB PHE A 20 2.624 0.634 -6.219 1.00 0.00 C ATOM 263 CG PHE A 20 2.930 0.954 -4.783 1.00 0.00 C ATOM 264 CD1 PHE A 20 3.900 1.889 -4.460 1.00 0.00 C ATOM 265 CD2 PHE A 20 2.249 0.319 -3.758 1.00 0.00 C ATOM 266 CE1 PHE A 20 4.184 2.186 -3.140 1.00 0.00 C ATOM 267 CE2 PHE A 20 2.528 0.612 -2.436 1.00 0.00 C ATOM 268 CZ PHE A 20 3.498 1.546 -2.127 1.00 0.00 C ATOM 0 H PHE A 20 2.036 0.555 -8.613 1.00 0.00 H new ATOM 0 HA PHE A 20 0.587 1.313 -6.312 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.320 -0.410 -6.293 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.534 0.744 -6.809 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.440 2.392 -5.248 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.491 -0.413 -3.994 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.942 2.918 -2.901 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.988 0.111 -1.646 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.719 1.775 -1.095 1.00 0.00 H new ATOM 278 N GLU A 21 2.987 3.414 -7.220 1.00 0.00 N ATOM 279 CA GLU A 21 3.434 4.797 -7.107 1.00 0.00 C ATOM 280 C GLU A 21 2.331 5.762 -7.534 1.00 0.00 C ATOM 281 O GLU A 21 2.278 6.902 -7.076 1.00 0.00 O ATOM 282 CB GLU A 21 4.684 5.025 -7.959 1.00 0.00 C ATOM 283 CG GLU A 21 5.968 4.558 -7.294 1.00 0.00 C ATOM 284 CD GLU A 21 7.207 5.151 -7.936 1.00 0.00 C ATOM 285 OE1 GLU A 21 7.156 6.329 -8.347 1.00 0.00 O ATOM 286 OE2 GLU A 21 8.227 4.437 -8.026 1.00 0.00 O ATOM 0 H GLU A 21 3.591 2.821 -7.789 1.00 0.00 H new ATOM 0 HA GLU A 21 3.677 4.988 -6.062 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.566 4.503 -8.909 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.769 6.087 -8.187 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.945 4.829 -6.238 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.023 3.470 -7.343 1.00 0.00 H new ATOM 293 N ASN A 22 1.453 5.295 -8.415 1.00 0.00 N ATOM 294 CA ASN A 22 0.352 6.116 -8.906 1.00 0.00 C ATOM 295 C ASN A 22 -0.703 6.314 -7.822 1.00 0.00 C ATOM 296 O ASN A 22 -1.102 7.441 -7.528 1.00 0.00 O ATOM 297 CB ASN A 22 -0.283 5.470 -10.139 1.00 0.00 C ATOM 298 CG ASN A 22 0.546 5.680 -11.392 1.00 0.00 C ATOM 299 OD1 ASN A 22 1.001 6.790 -11.670 1.00 0.00 O ATOM 300 ND2 ASN A 22 0.745 4.612 -12.156 1.00 0.00 N ATOM 0 H ASN A 22 1.482 4.352 -8.804 1.00 0.00 H new ATOM 0 HA ASN A 22 0.753 7.091 -9.181 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.407 4.401 -9.963 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.279 5.885 -10.291 1.00 0.00 H new ATOM 0 HD21 ASN A 22 1.294 4.692 -13.012 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.349 3.711 -11.887 1.00 0.00 H new ATOM 307 N SER A 23 -1.152 5.211 -7.231 1.00 0.00 N ATOM 308 CA SER A 23 -2.163 5.262 -6.182 1.00 0.00 C ATOM 309 C SER A 23 -1.710 6.159 -5.034 1.00 0.00 C ATOM 310 O SER A 23 -2.381 7.132 -4.690 1.00 0.00 O ATOM 311 CB SER A 23 -2.458 3.855 -5.659 1.00 0.00 C ATOM 312 OG SER A 23 -3.035 3.046 -6.669 1.00 0.00 O ATOM 0 H SER A 23 -0.831 4.271 -7.461 1.00 0.00 H new ATOM 0 HA SER A 23 -3.074 5.681 -6.610 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.536 3.395 -5.303 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.134 3.915 -4.806 1.00 0.00 H new ATOM 0 HG SER A 23 -3.920 2.741 -6.378 1.00 0.00 H new ATOM 318 N MET A 24 -0.566 5.824 -4.446 1.00 0.00 N ATOM 319 CA MET A 24 -0.022 6.599 -3.338 1.00 0.00 C ATOM 320 C MET A 24 0.003 8.087 -3.675 1.00 0.00 C ATOM 321 O MET A 24 -0.226 8.932 -2.811 1.00 0.00 O ATOM 322 CB MET A 24 1.390 6.118 -2.995 1.00 0.00 C ATOM 323 CG MET A 24 2.330 6.095 -4.190 1.00 0.00 C ATOM 324 SD MET A 24 4.045 6.406 -3.729 1.00 0.00 S ATOM 325 CE MET A 24 4.492 7.667 -4.920 1.00 0.00 C ATOM 0 H MET A 24 0.002 5.021 -4.719 1.00 0.00 H new ATOM 0 HA MET A 24 -0.668 6.451 -2.473 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.809 6.766 -2.226 1.00 0.00 H new ATOM 0 HB3 MET A 24 1.331 5.116 -2.570 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.260 5.126 -4.684 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.010 6.845 -4.914 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.461 8.090 -4.655 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.549 7.224 -5.914 1.00 0.00 H new ATOM 0 HE3 MET A 24 3.739 8.455 -4.916 1.00 0.00 H new ATOM 335 N ASN A 25 0.283 8.398 -4.936 1.00 0.00 N ATOM 336 CA ASN A 25 0.339 9.784 -5.387 1.00 0.00 C ATOM 337 C ASN A 25 -1.022 10.458 -5.244 1.00 0.00 C ATOM 338 O ASN A 25 -1.126 11.563 -4.714 1.00 0.00 O ATOM 339 CB ASN A 25 0.803 9.851 -6.843 1.00 0.00 C ATOM 340 CG ASN A 25 1.060 11.272 -7.304 1.00 0.00 C ATOM 341 OD1 ASN A 25 1.169 12.190 -6.491 1.00 0.00 O ATOM 342 ND2 ASN A 25 1.158 11.461 -8.615 1.00 0.00 N ATOM 0 H ASN A 25 0.475 7.709 -5.664 1.00 0.00 H new ATOM 0 HA ASN A 25 1.055 10.315 -4.760 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.714 9.264 -6.958 1.00 0.00 H new ATOM 0 HB3 ASN A 25 0.048 9.395 -7.483 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.330 12.396 -8.984 1.00 0.00 H new ATOM 0 HD22 ASN A 25 1.061 10.671 -9.253 1.00 0.00 H new ATOM 349 N GLN A 26 -2.063 9.783 -5.721 1.00 0.00 N ATOM 350 CA GLN A 26 -3.418 10.317 -5.647 1.00 0.00 C ATOM 351 C GLN A 26 -3.766 10.721 -4.218 1.00 0.00 C ATOM 352 O GLN A 26 -4.376 11.765 -3.988 1.00 0.00 O ATOM 353 CB GLN A 26 -4.424 9.284 -6.157 1.00 0.00 C ATOM 354 CG GLN A 26 -4.359 9.061 -7.660 1.00 0.00 C ATOM 355 CD GLN A 26 -5.689 8.626 -8.244 1.00 0.00 C ATOM 356 OE1 GLN A 26 -6.034 8.990 -9.368 1.00 0.00 O ATOM 357 NE2 GLN A 26 -6.443 7.843 -7.481 1.00 0.00 N ATOM 0 H GLN A 26 -1.994 8.866 -6.162 1.00 0.00 H new ATOM 0 HA GLN A 26 -3.467 11.204 -6.278 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.247 8.336 -5.649 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -5.430 9.606 -5.889 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -4.037 9.982 -8.146 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.606 8.304 -7.879 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.117 7.566 -6.555 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.348 7.519 -7.821 1.00 0.00 H new ATOM 366 N VAL A 27 -3.375 9.886 -3.260 1.00 0.00 N ATOM 367 CA VAL A 27 -3.646 10.156 -1.853 1.00 0.00 C ATOM 368 C VAL A 27 -3.172 11.551 -1.461 1.00 0.00 C ATOM 369 O VAL A 27 -3.711 12.165 -0.540 1.00 0.00 O ATOM 370 CB VAL A 27 -2.963 9.119 -0.942 1.00 0.00 C ATOM 371 CG1 VAL A 27 -3.276 9.405 0.519 1.00 0.00 C ATOM 372 CG2 VAL A 27 -3.394 7.710 -1.322 1.00 0.00 C ATOM 0 H VAL A 27 -2.870 9.017 -3.433 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.726 10.091 -1.719 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.884 9.194 -1.080 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.785 8.663 1.148 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.914 10.399 0.781 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.354 9.359 0.676 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.902 6.990 -0.668 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.475 7.619 -1.214 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.115 7.511 -2.357 1.00 0.00 H new ATOM 382 N LYS A 28 -2.162 12.047 -2.167 1.00 0.00 N ATOM 383 CA LYS A 28 -1.615 13.371 -1.895 1.00 0.00 C ATOM 384 C LYS A 28 -2.314 14.432 -2.739 1.00 0.00 C ATOM 385 O LYS A 28 -2.403 15.595 -2.344 1.00 0.00 O ATOM 386 CB LYS A 28 -0.111 13.392 -2.174 1.00 0.00 C ATOM 387 CG LYS A 28 0.691 12.487 -1.254 1.00 0.00 C ATOM 388 CD LYS A 28 2.133 12.359 -1.717 1.00 0.00 C ATOM 389 CE LYS A 28 2.727 11.015 -1.322 1.00 0.00 C ATOM 390 NZ LYS A 28 1.955 9.878 -1.894 1.00 0.00 N ATOM 0 H LYS A 28 -1.705 11.552 -2.933 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.786 13.598 -0.843 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.063 13.091 -3.207 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.254 14.414 -2.074 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.667 12.885 -0.239 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.230 11.500 -1.220 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.180 12.475 -2.800 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.728 13.163 -1.284 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.761 10.960 -1.663 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.745 10.931 -0.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.751 9.186 -1.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.062 10.231 -2.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.513 9.422 -2.644 1.00 0.00 H new ATOM 404 N LEU A 29 -2.810 14.024 -3.902 1.00 0.00 N ATOM 405 CA LEU A 29 -3.503 14.939 -4.802 1.00 0.00 C ATOM 406 C LEU A 29 -4.775 15.480 -4.155 1.00 0.00 C ATOM 407 O LEU A 29 -5.119 16.651 -4.322 1.00 0.00 O ATOM 408 CB LEU A 29 -3.846 14.233 -6.115 1.00 0.00 C ATOM 409 CG LEU A 29 -2.789 14.316 -7.217 1.00 0.00 C ATOM 410 CD1 LEU A 29 -1.400 14.087 -6.643 1.00 0.00 C ATOM 411 CD2 LEU A 29 -3.087 13.308 -8.317 1.00 0.00 C ATOM 0 H LEU A 29 -2.745 13.065 -4.244 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.838 15.777 -5.010 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.036 13.181 -5.900 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.776 14.653 -6.498 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.820 15.316 -7.650 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.661 14.150 -7.442 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.187 14.847 -5.891 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.354 13.100 -6.184 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.325 13.381 -9.093 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.084 12.301 -7.899 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.066 13.519 -8.748 1.00 0.00 H new ATOM 423 N LEU A 30 -5.467 14.621 -3.415 1.00 0.00 N ATOM 424 CA LEU A 30 -6.700 15.013 -2.741 1.00 0.00 C ATOM 425 C LEU A 30 -6.404 15.912 -1.544 1.00 0.00 C ATOM 426 O LEU A 30 -5.723 15.507 -0.602 1.00 0.00 O ATOM 427 CB LEU A 30 -7.470 13.773 -2.283 1.00 0.00 C ATOM 428 CG LEU A 30 -6.834 12.969 -1.149 1.00 0.00 C ATOM 429 CD1 LEU A 30 -7.226 13.547 0.201 1.00 0.00 C ATOM 430 CD2 LEU A 30 -7.240 11.505 -1.242 1.00 0.00 C ATOM 0 H LEU A 30 -5.196 13.649 -3.266 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.311 15.572 -3.450 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.466 14.084 -1.967 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.600 13.113 -3.141 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.750 13.033 -1.247 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.764 12.961 0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.886 14.580 0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.310 13.514 0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.779 10.947 -0.427 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.324 11.423 -1.169 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.908 11.095 -2.196 1.00 0.00 H new ATOM 442 N LYS A 31 -6.922 17.135 -1.587 1.00 0.00 N ATOM 443 CA LYS A 31 -6.717 18.091 -0.506 1.00 0.00 C ATOM 444 C LYS A 31 -7.650 17.797 0.665 1.00 0.00 C ATOM 445 O LYS A 31 -7.545 18.413 1.726 1.00 0.00 O ATOM 446 CB LYS A 31 -6.948 19.518 -1.009 1.00 0.00 C ATOM 447 CG LYS A 31 -6.369 20.586 -0.097 1.00 0.00 C ATOM 448 CD LYS A 31 -6.012 21.845 -0.869 1.00 0.00 C ATOM 449 CE LYS A 31 -7.240 22.702 -1.135 1.00 0.00 C ATOM 450 NZ LYS A 31 -7.683 23.431 0.085 1.00 0.00 N ATOM 0 H LYS A 31 -7.487 17.487 -2.360 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.688 17.996 -0.161 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.507 19.621 -2.000 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.019 19.687 -1.118 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.090 20.829 0.684 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.480 20.198 0.400 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.279 22.423 -0.306 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.545 21.573 -1.815 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.018 23.419 -1.926 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.052 22.071 -1.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.411 24.128 -0.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.078 22.755 0.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.870 23.920 0.511 1.00 0.00 H new ATOM 464 N LYS A 32 -8.562 16.851 0.466 1.00 0.00 N ATOM 465 CA LYS A 32 -9.511 16.473 1.505 1.00 0.00 C ATOM 466 C LYS A 32 -8.812 15.725 2.635 1.00 0.00 C ATOM 467 O LYS A 32 -7.721 15.184 2.452 1.00 0.00 O ATOM 468 CB LYS A 32 -10.624 15.603 0.916 1.00 0.00 C ATOM 469 CG LYS A 32 -11.958 15.758 1.625 1.00 0.00 C ATOM 470 CD LYS A 32 -12.828 14.525 1.453 1.00 0.00 C ATOM 471 CE LYS A 32 -14.304 14.858 1.605 1.00 0.00 C ATOM 472 NZ LYS A 32 -15.163 13.650 1.465 1.00 0.00 N ATOM 0 H LYS A 32 -8.663 16.332 -0.406 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.947 17.385 1.912 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.751 15.854 -0.137 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.318 14.558 0.960 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.788 15.939 2.686 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.480 16.630 1.232 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.652 14.089 0.470 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -12.546 13.774 2.190 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -14.475 15.314 2.580 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -14.589 15.595 0.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -16.161 13.919 1.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -15.020 13.229 0.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.909 12.957 2.197 1.00 0.00 H new ATOM 486 N ASP A 33 -9.446 15.696 3.802 1.00 0.00 N ATOM 487 CA ASP A 33 -8.886 15.012 4.961 1.00 0.00 C ATOM 488 C ASP A 33 -9.820 13.908 5.445 1.00 0.00 C ATOM 489 O ASP A 33 -10.792 14.152 6.160 1.00 0.00 O ATOM 490 CB ASP A 33 -8.625 16.008 6.092 1.00 0.00 C ATOM 491 CG ASP A 33 -9.899 16.661 6.593 1.00 0.00 C ATOM 492 OD1 ASP A 33 -10.794 16.928 5.765 1.00 0.00 O ATOM 493 OD2 ASP A 33 -10.000 16.903 7.814 1.00 0.00 O ATOM 0 H ASP A 33 -10.349 16.139 3.970 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.941 14.558 4.662 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.134 15.494 6.919 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.938 16.779 5.742 1.00 0.00 H new ATOM 498 N PRO A 34 -9.521 12.662 5.046 1.00 0.00 N ATOM 499 CA PRO A 34 -10.323 11.495 5.427 1.00 0.00 C ATOM 500 C PRO A 34 -10.189 11.158 6.908 1.00 0.00 C ATOM 501 O PRO A 34 -11.181 10.897 7.587 1.00 0.00 O ATOM 502 CB PRO A 34 -9.741 10.370 4.567 1.00 0.00 C ATOM 503 CG PRO A 34 -8.343 10.797 4.280 1.00 0.00 C ATOM 504 CD PRO A 34 -8.378 12.297 4.193 1.00 0.00 C ATOM 0 HA PRO A 34 -11.388 11.663 5.270 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -9.763 9.416 5.095 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -10.312 10.239 3.648 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -7.665 10.467 5.067 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.985 10.360 3.348 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -7.450 12.742 4.552 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -8.518 12.637 3.167 1.00 0.00 H new ATOM 512 N GLY A 35 -8.955 11.166 7.403 1.00 0.00 N ATOM 513 CA GLY A 35 -8.715 10.860 8.801 1.00 0.00 C ATOM 514 C GLY A 35 -7.453 10.046 9.007 1.00 0.00 C ATOM 515 O GLY A 35 -7.073 9.249 8.150 1.00 0.00 O ATOM 0 H GLY A 35 -8.118 11.379 6.861 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.641 11.789 9.366 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.567 10.311 9.201 1.00 0.00 H new ATOM 519 N ASN A 36 -6.800 10.248 10.147 1.00 0.00 N ATOM 520 CA ASN A 36 -5.572 9.527 10.462 1.00 0.00 C ATOM 521 C ASN A 36 -5.778 8.021 10.341 1.00 0.00 C ATOM 522 O ASN A 36 -4.816 7.257 10.269 1.00 0.00 O ATOM 523 CB ASN A 36 -5.099 9.877 11.875 1.00 0.00 C ATOM 524 CG ASN A 36 -4.243 11.128 11.906 1.00 0.00 C ATOM 525 OD1 ASN A 36 -4.758 12.246 11.916 1.00 0.00 O ATOM 526 ND2 ASN A 36 -2.928 10.944 11.921 1.00 0.00 N ATOM 0 H ASN A 36 -7.101 10.905 10.867 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.809 9.829 9.745 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.966 10.017 12.521 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -4.530 9.041 12.282 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.301 11.748 11.942 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -2.545 9.999 11.912 1.00 0.00 H new ATOM 533 N GLU A 37 -7.039 7.602 10.318 1.00 0.00 N ATOM 534 CA GLU A 37 -7.371 6.186 10.205 1.00 0.00 C ATOM 535 C GLU A 37 -6.834 5.603 8.902 1.00 0.00 C ATOM 536 O GLU A 37 -6.166 4.569 8.899 1.00 0.00 O ATOM 537 CB GLU A 37 -8.887 5.987 10.279 1.00 0.00 C ATOM 538 CG GLU A 37 -9.619 6.416 9.018 1.00 0.00 C ATOM 539 CD GLU A 37 -11.126 6.399 9.184 1.00 0.00 C ATOM 540 OE1 GLU A 37 -11.598 6.536 10.332 1.00 0.00 O ATOM 541 OE2 GLU A 37 -11.833 6.250 8.166 1.00 0.00 O ATOM 0 H GLU A 37 -7.847 8.222 10.376 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.902 5.662 11.038 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.098 4.935 10.472 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.278 6.551 11.126 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.299 7.420 8.741 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.340 5.755 8.198 1.00 0.00 H new ATOM 548 N VAL A 38 -7.130 6.275 7.793 1.00 0.00 N ATOM 549 CA VAL A 38 -6.677 5.825 6.482 1.00 0.00 C ATOM 550 C VAL A 38 -5.213 6.182 6.255 1.00 0.00 C ATOM 551 O VAL A 38 -4.444 5.386 5.715 1.00 0.00 O ATOM 552 CB VAL A 38 -7.526 6.440 5.354 1.00 0.00 C ATOM 553 CG1 VAL A 38 -7.659 7.943 5.544 1.00 0.00 C ATOM 554 CG2 VAL A 38 -6.920 6.117 3.996 1.00 0.00 C ATOM 0 H VAL A 38 -7.682 7.133 7.777 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.791 4.741 6.462 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.524 6.004 5.394 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.262 8.360 4.737 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.141 8.148 6.500 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.670 8.400 5.531 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.532 6.559 3.210 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.910 6.524 3.942 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.883 5.036 3.862 1.00 0.00 H new ATOM 564 N LYS A 39 -4.831 7.385 6.671 1.00 0.00 N ATOM 565 CA LYS A 39 -3.458 7.849 6.515 1.00 0.00 C ATOM 566 C LYS A 39 -2.471 6.816 7.048 1.00 0.00 C ATOM 567 O LYS A 39 -1.285 6.845 6.714 1.00 0.00 O ATOM 568 CB LYS A 39 -3.262 9.181 7.243 1.00 0.00 C ATOM 569 CG LYS A 39 -3.468 10.396 6.354 1.00 0.00 C ATOM 570 CD LYS A 39 -4.940 10.749 6.224 1.00 0.00 C ATOM 571 CE LYS A 39 -5.366 11.763 7.274 1.00 0.00 C ATOM 572 NZ LYS A 39 -4.647 13.057 7.119 1.00 0.00 N ATOM 0 H LYS A 39 -5.454 8.057 7.119 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.268 7.992 5.451 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.956 9.233 8.082 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.256 9.213 7.660 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.924 11.246 6.766 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.051 10.200 5.366 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.132 11.151 5.229 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.542 9.846 6.324 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.440 11.933 7.200 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.175 11.358 8.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.337 13.826 7.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.069 13.237 7.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.031 13.014 6.282 1.00 0.00 H new ATOM 586 N LEU A 40 -2.966 5.904 7.877 1.00 0.00 N ATOM 587 CA LEU A 40 -2.127 4.860 8.456 1.00 0.00 C ATOM 588 C LEU A 40 -2.195 3.584 7.624 1.00 0.00 C ATOM 589 O LEU A 40 -1.173 2.953 7.352 1.00 0.00 O ATOM 590 CB LEU A 40 -2.561 4.569 9.894 1.00 0.00 C ATOM 591 CG LEU A 40 -2.149 5.603 10.942 1.00 0.00 C ATOM 592 CD1 LEU A 40 -3.079 5.545 12.144 1.00 0.00 C ATOM 593 CD2 LEU A 40 -0.706 5.382 11.371 1.00 0.00 C ATOM 0 H LEU A 40 -3.944 5.866 8.164 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.097 5.215 8.459 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.647 4.475 9.913 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.152 3.602 10.187 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.227 6.595 10.496 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.770 6.288 12.879 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.100 5.753 11.824 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.034 4.552 12.591 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.430 6.127 12.117 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.602 4.385 11.798 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.051 5.476 10.505 1.00 0.00 H new ATOM 605 N LYS A 41 -3.404 3.210 7.221 1.00 0.00 N ATOM 606 CA LYS A 41 -3.606 2.011 6.416 1.00 0.00 C ATOM 607 C LYS A 41 -2.793 2.077 5.127 1.00 0.00 C ATOM 608 O LYS A 41 -2.371 1.051 4.594 1.00 0.00 O ATOM 609 CB LYS A 41 -5.090 1.836 6.087 1.00 0.00 C ATOM 610 CG LYS A 41 -5.512 2.519 4.797 1.00 0.00 C ATOM 611 CD LYS A 41 -6.959 2.211 4.451 1.00 0.00 C ATOM 612 CE LYS A 41 -7.822 2.110 5.700 1.00 0.00 C ATOM 613 NZ LYS A 41 -7.653 0.799 6.386 1.00 0.00 N ATOM 0 H LYS A 41 -4.260 3.720 7.439 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.265 1.153 6.996 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.315 0.772 6.015 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.685 2.232 6.910 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.382 3.597 4.895 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.865 2.193 3.983 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.352 2.990 3.798 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.010 1.274 3.896 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.562 2.916 6.387 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.869 2.246 5.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.579 0.456 6.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.243 0.111 5.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.019 0.914 7.202 1.00 0.00 H new ATOM 627 N LEU A 42 -2.577 3.291 4.632 1.00 0.00 N ATOM 628 CA LEU A 42 -1.813 3.491 3.405 1.00 0.00 C ATOM 629 C LEU A 42 -0.322 3.288 3.653 1.00 0.00 C ATOM 630 O LEU A 42 0.403 2.809 2.781 1.00 0.00 O ATOM 631 CB LEU A 42 -2.062 4.895 2.850 1.00 0.00 C ATOM 632 CG LEU A 42 -3.222 5.030 1.862 1.00 0.00 C ATOM 633 CD1 LEU A 42 -2.998 4.139 0.650 1.00 0.00 C ATOM 634 CD2 LEU A 42 -4.541 4.689 2.540 1.00 0.00 C ATOM 0 H LEU A 42 -2.920 4.151 5.061 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.145 2.753 2.675 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.244 5.568 3.688 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.151 5.237 2.359 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.267 6.065 1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.833 4.249 -0.041 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.073 4.429 0.151 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.926 3.100 0.971 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.356 4.790 1.823 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.507 3.663 2.908 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.707 5.369 3.376 1.00 0.00 H new ATOM 646 N TYR A 43 0.129 3.652 4.848 1.00 0.00 N ATOM 647 CA TYR A 43 1.534 3.510 5.211 1.00 0.00 C ATOM 648 C TYR A 43 1.863 2.061 5.557 1.00 0.00 C ATOM 649 O TYR A 43 2.974 1.590 5.316 1.00 0.00 O ATOM 650 CB TYR A 43 1.871 4.418 6.395 1.00 0.00 C ATOM 651 CG TYR A 43 2.917 3.841 7.322 1.00 0.00 C ATOM 652 CD1 TYR A 43 4.270 4.065 7.100 1.00 0.00 C ATOM 653 CD2 TYR A 43 2.552 3.071 8.420 1.00 0.00 C ATOM 654 CE1 TYR A 43 5.230 3.539 7.944 1.00 0.00 C ATOM 655 CE2 TYR A 43 3.504 2.542 9.269 1.00 0.00 C ATOM 656 CZ TYR A 43 4.842 2.779 9.027 1.00 0.00 C ATOM 657 OH TYR A 43 5.793 2.253 9.871 1.00 0.00 O ATOM 0 H TYR A 43 -0.458 4.048 5.582 1.00 0.00 H new ATOM 0 HA TYR A 43 2.137 3.806 4.352 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.222 5.378 6.017 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.961 4.613 6.963 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.577 4.661 6.253 1.00 0.00 H new ATOM 0 HD2 TYR A 43 1.506 2.883 8.612 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.278 3.722 7.756 1.00 0.00 H new ATOM 0 HE2 TYR A 43 3.203 1.946 10.118 1.00 0.00 H new ATOM 0 HH TYR A 43 6.007 1.338 9.593 1.00 0.00 H new ATOM 667 N ALA A 44 0.887 1.358 6.124 1.00 0.00 N ATOM 668 CA ALA A 44 1.071 -0.037 6.501 1.00 0.00 C ATOM 669 C ALA A 44 1.524 -0.873 5.309 1.00 0.00 C ATOM 670 O ALA A 44 2.465 -1.662 5.412 1.00 0.00 O ATOM 671 CB ALA A 44 -0.217 -0.600 7.084 1.00 0.00 C ATOM 0 H ALA A 44 -0.039 1.733 6.332 1.00 0.00 H new ATOM 0 HA ALA A 44 1.851 -0.083 7.261 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.065 -1.643 7.361 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.498 -0.027 7.968 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.012 -0.534 6.341 1.00 0.00 H new ATOM 677 N LEU A 45 0.849 -0.698 4.179 1.00 0.00 N ATOM 678 CA LEU A 45 1.182 -1.437 2.966 1.00 0.00 C ATOM 679 C LEU A 45 2.508 -0.959 2.384 1.00 0.00 C ATOM 680 O LEU A 45 3.377 -1.764 2.049 1.00 0.00 O ATOM 681 CB LEU A 45 0.070 -1.279 1.928 1.00 0.00 C ATOM 682 CG LEU A 45 -1.162 -2.163 2.124 1.00 0.00 C ATOM 683 CD1 LEU A 45 -0.751 -3.568 2.537 1.00 0.00 C ATOM 684 CD2 LEU A 45 -2.097 -1.553 3.159 1.00 0.00 C ATOM 0 H LEU A 45 0.067 -0.051 4.077 1.00 0.00 H new ATOM 0 HA LEU A 45 1.280 -2.491 3.227 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.252 -0.238 1.925 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.488 -1.486 0.943 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.694 -2.227 1.175 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.641 -4.183 2.672 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.122 -4.006 1.762 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.195 -3.524 3.474 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.968 -2.195 3.286 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.574 -1.459 4.111 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.419 -0.567 2.823 1.00 0.00 H new ATOM 696 N TYR A 46 2.657 0.356 2.267 1.00 0.00 N ATOM 697 CA TYR A 46 3.878 0.942 1.726 1.00 0.00 C ATOM 698 C TYR A 46 5.113 0.238 2.280 1.00 0.00 C ATOM 699 O TYR A 46 5.936 -0.283 1.527 1.00 0.00 O ATOM 700 CB TYR A 46 3.940 2.435 2.051 1.00 0.00 C ATOM 701 CG TYR A 46 5.338 3.008 2.005 1.00 0.00 C ATOM 702 CD1 TYR A 46 6.161 2.795 0.906 1.00 0.00 C ATOM 703 CD2 TYR A 46 5.837 3.760 3.061 1.00 0.00 C ATOM 704 CE1 TYR A 46 7.440 3.315 0.860 1.00 0.00 C ATOM 705 CE2 TYR A 46 7.114 4.285 3.023 1.00 0.00 C ATOM 706 CZ TYR A 46 7.912 4.060 1.920 1.00 0.00 C ATOM 707 OH TYR A 46 9.185 4.581 1.879 1.00 0.00 O ATOM 0 H TYR A 46 1.948 1.036 2.539 1.00 0.00 H new ATOM 0 HA TYR A 46 3.863 0.813 0.644 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.311 2.978 1.346 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.522 2.600 3.044 1.00 0.00 H new ATOM 0 HD1 TYR A 46 5.794 2.213 0.073 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.216 3.937 3.927 1.00 0.00 H new ATOM 0 HE1 TYR A 46 8.067 3.139 -0.002 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.486 4.869 3.852 1.00 0.00 H new ATOM 0 HH TYR A 46 9.361 5.080 2.704 1.00 0.00 H new ATOM 717 N LYS A 47 5.235 0.225 3.603 1.00 0.00 N ATOM 718 CA LYS A 47 6.367 -0.415 4.261 1.00 0.00 C ATOM 719 C LYS A 47 6.324 -1.928 4.067 1.00 0.00 C ATOM 720 O LYS A 47 7.340 -2.609 4.207 1.00 0.00 O ATOM 721 CB LYS A 47 6.370 -0.082 5.755 1.00 0.00 C ATOM 722 CG LYS A 47 6.477 1.405 6.046 1.00 0.00 C ATOM 723 CD LYS A 47 7.877 1.927 5.769 1.00 0.00 C ATOM 724 CE LYS A 47 8.766 1.819 6.999 1.00 0.00 C ATOM 725 NZ LYS A 47 8.698 3.045 7.841 1.00 0.00 N ATOM 0 H LYS A 47 4.563 0.651 4.241 1.00 0.00 H new ATOM 0 HA LYS A 47 7.282 -0.033 3.808 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.456 -0.467 6.206 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.203 -0.598 6.232 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.757 1.949 5.435 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.217 1.593 7.088 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.320 1.364 4.948 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.822 2.967 5.449 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.464 0.955 7.591 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.797 1.648 6.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.605 3.180 8.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.505 3.870 7.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.937 2.943 8.542 1.00 0.00 H new ATOM 739 N GLN A 48 5.144 -2.445 3.743 1.00 0.00 N ATOM 740 CA GLN A 48 4.971 -3.877 3.528 1.00 0.00 C ATOM 741 C GLN A 48 5.392 -4.271 2.117 1.00 0.00 C ATOM 742 O GLN A 48 5.814 -5.402 1.877 1.00 0.00 O ATOM 743 CB GLN A 48 3.514 -4.278 3.770 1.00 0.00 C ATOM 744 CG GLN A 48 3.320 -5.772 3.973 1.00 0.00 C ATOM 745 CD GLN A 48 3.437 -6.183 5.427 1.00 0.00 C ATOM 746 OE1 GLN A 48 3.238 -5.372 6.332 1.00 0.00 O ATOM 747 NE2 GLN A 48 3.762 -7.450 5.660 1.00 0.00 N ATOM 0 H GLN A 48 4.294 -1.894 3.624 1.00 0.00 H new ATOM 0 HA GLN A 48 5.608 -4.405 4.237 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.141 -3.749 4.647 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.911 -3.954 2.922 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.340 -6.062 3.595 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.061 -6.314 3.385 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.918 -8.088 4.880 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.855 -7.784 6.619 1.00 0.00 H new ATOM 756 N ALA A 49 5.273 -3.331 1.185 1.00 0.00 N ATOM 757 CA ALA A 49 5.643 -3.579 -0.203 1.00 0.00 C ATOM 758 C ALA A 49 7.031 -3.027 -0.509 1.00 0.00 C ATOM 759 O ALA A 49 7.443 -2.960 -1.667 1.00 0.00 O ATOM 760 CB ALA A 49 4.611 -2.970 -1.141 1.00 0.00 C ATOM 0 H ALA A 49 4.923 -2.390 1.366 1.00 0.00 H new ATOM 0 HA ALA A 49 5.668 -4.657 -0.359 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.900 -3.163 -2.174 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.635 -3.416 -0.948 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.557 -1.894 -0.974 1.00 0.00 H new ATOM 766 N THR A 50 7.749 -2.630 0.538 1.00 0.00 N ATOM 767 CA THR A 50 9.090 -2.081 0.381 1.00 0.00 C ATOM 768 C THR A 50 10.061 -2.710 1.374 1.00 0.00 C ATOM 769 O THR A 50 11.232 -2.919 1.061 1.00 0.00 O ATOM 770 CB THR A 50 9.097 -0.553 0.570 1.00 0.00 C ATOM 771 OG1 THR A 50 8.384 -0.204 1.762 1.00 0.00 O ATOM 772 CG2 THR A 50 8.467 0.144 -0.627 1.00 0.00 C ATOM 0 H THR A 50 7.424 -2.679 1.503 1.00 0.00 H new ATOM 0 HA THR A 50 9.411 -2.315 -0.634 1.00 0.00 H new ATOM 0 HB THR A 50 10.133 -0.224 0.657 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.447 -0.023 1.541 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.483 1.223 -0.470 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.030 -0.100 -1.528 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.436 -0.190 -0.741 1.00 0.00 H new ATOM 780 N GLU A 51 9.565 -3.009 2.571 1.00 0.00 N ATOM 781 CA GLU A 51 10.391 -3.614 3.609 1.00 0.00 C ATOM 782 C GLU A 51 9.911 -5.026 3.932 1.00 0.00 C ATOM 783 O GLU A 51 10.711 -5.912 4.228 1.00 0.00 O ATOM 784 CB GLU A 51 10.369 -2.754 4.874 1.00 0.00 C ATOM 785 CG GLU A 51 10.646 -1.282 4.616 1.00 0.00 C ATOM 786 CD GLU A 51 10.910 -0.505 5.891 1.00 0.00 C ATOM 787 OE1 GLU A 51 10.034 -0.512 6.781 1.00 0.00 O ATOM 788 OE2 GLU A 51 11.991 0.109 5.998 1.00 0.00 O ATOM 0 H GLU A 51 8.597 -2.842 2.845 1.00 0.00 H new ATOM 0 HA GLU A 51 11.413 -3.673 3.236 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.395 -2.853 5.353 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.110 -3.137 5.576 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.507 -1.189 3.954 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.795 -0.842 4.096 1.00 0.00 H new ATOM 795 N GLY A 52 8.598 -5.226 3.873 1.00 0.00 N ATOM 796 CA GLY A 52 8.034 -6.532 4.162 1.00 0.00 C ATOM 797 C GLY A 52 7.249 -6.550 5.459 1.00 0.00 C ATOM 798 O GLY A 52 6.560 -5.591 5.806 1.00 0.00 O ATOM 0 H GLY A 52 7.915 -4.508 3.631 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.382 -6.832 3.342 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.837 -7.267 4.216 1.00 0.00 H new ATOM 802 N PRO A 53 7.348 -7.664 6.200 1.00 0.00 N ATOM 803 CA PRO A 53 6.648 -7.830 7.477 1.00 0.00 C ATOM 804 C PRO A 53 7.218 -6.935 8.571 1.00 0.00 C ATOM 805 O PRO A 53 8.431 -6.738 8.657 1.00 0.00 O ATOM 806 CB PRO A 53 6.879 -9.305 7.818 1.00 0.00 C ATOM 807 CG PRO A 53 8.138 -9.665 7.109 1.00 0.00 C ATOM 808 CD PRO A 53 8.152 -8.847 5.847 1.00 0.00 C ATOM 0 HA PRO A 53 5.596 -7.554 7.404 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.975 -9.452 8.894 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.046 -9.924 7.484 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.009 -9.446 7.726 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.168 -10.731 6.883 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.166 -8.572 5.557 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.718 -9.393 5.009 1.00 0.00 H new ATOM 816 N CYS A 54 6.337 -6.395 9.406 1.00 0.00 N ATOM 817 CA CYS A 54 6.753 -5.519 10.495 1.00 0.00 C ATOM 818 C CYS A 54 7.875 -6.157 11.307 1.00 0.00 C ATOM 819 O CYS A 54 7.643 -7.081 12.086 1.00 0.00 O ATOM 820 CB CYS A 54 5.565 -5.203 11.405 1.00 0.00 C ATOM 821 SG CYS A 54 6.020 -4.407 12.964 1.00 0.00 S ATOM 0 H CYS A 54 5.330 -6.549 9.350 1.00 0.00 H new ATOM 0 HA CYS A 54 7.125 -4.591 10.060 1.00 0.00 H new ATOM 0 HB2 CYS A 54 4.872 -4.556 10.868 1.00 0.00 H new ATOM 0 HB3 CYS A 54 5.032 -6.129 11.624 1.00 0.00 H new ATOM 0 HG CYS A 54 5.189 -3.440 13.216 1.00 0.00 H new ATOM 827 N ASN A 55 9.092 -5.658 11.118 1.00 0.00 N ATOM 828 CA ASN A 55 10.252 -6.181 11.832 1.00 0.00 C ATOM 829 C ASN A 55 10.850 -5.120 12.750 1.00 0.00 C ATOM 830 O ASN A 55 11.973 -5.263 13.232 1.00 0.00 O ATOM 831 CB ASN A 55 11.310 -6.668 10.840 1.00 0.00 C ATOM 832 CG ASN A 55 11.988 -5.524 10.110 1.00 0.00 C ATOM 833 OD1 ASN A 55 12.896 -4.885 10.643 1.00 0.00 O ATOM 834 ND2 ASN A 55 11.549 -5.262 8.885 1.00 0.00 N ATOM 0 H ASN A 55 9.301 -4.893 10.477 1.00 0.00 H new ATOM 0 HA ASN A 55 9.923 -7.021 12.444 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.061 -7.252 11.372 1.00 0.00 H new ATOM 0 HB3 ASN A 55 10.844 -7.334 10.114 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.967 -4.504 8.345 1.00 0.00 H new ATOM 0 HD22 ASN A 55 10.794 -5.818 8.484 1.00 0.00 H new ATOM 841 N MET A 56 10.090 -4.056 12.989 1.00 0.00 N ATOM 842 CA MET A 56 10.544 -2.971 13.851 1.00 0.00 C ATOM 843 C MET A 56 10.106 -3.203 15.294 1.00 0.00 C ATOM 844 O MET A 56 9.134 -3.908 15.566 1.00 0.00 O ATOM 845 CB MET A 56 10.001 -1.631 13.350 1.00 0.00 C ATOM 846 CG MET A 56 8.529 -1.675 12.973 1.00 0.00 C ATOM 847 SD MET A 56 7.861 -0.044 12.591 1.00 0.00 S ATOM 848 CE MET A 56 8.567 0.930 13.919 1.00 0.00 C ATOM 0 H MET A 56 9.157 -3.922 12.598 1.00 0.00 H new ATOM 0 HA MET A 56 11.633 -2.948 13.820 1.00 0.00 H new ATOM 0 HB2 MET A 56 10.147 -0.877 14.123 1.00 0.00 H new ATOM 0 HB3 MET A 56 10.581 -1.315 12.483 1.00 0.00 H new ATOM 0 HG2 MET A 56 8.398 -2.328 12.110 1.00 0.00 H new ATOM 0 HG3 MET A 56 7.961 -2.113 13.793 1.00 0.00 H new ATOM 0 HE1 MET A 56 7.961 1.822 14.078 1.00 0.00 H new ATOM 0 HE2 MET A 56 8.588 0.337 14.834 1.00 0.00 H new ATOM 0 HE3 MET A 56 9.583 1.224 13.654 1.00 0.00 H new ATOM 858 N PRO A 57 10.838 -2.598 16.241 1.00 0.00 N ATOM 859 CA PRO A 57 10.543 -2.724 17.671 1.00 0.00 C ATOM 860 C PRO A 57 9.258 -2.002 18.064 1.00 0.00 C ATOM 861 O PRO A 57 9.034 -0.856 17.673 1.00 0.00 O ATOM 862 CB PRO A 57 11.752 -2.068 18.342 1.00 0.00 C ATOM 863 CG PRO A 57 12.276 -1.113 17.327 1.00 0.00 C ATOM 864 CD PRO A 57 12.010 -1.743 15.988 1.00 0.00 C ATOM 0 HA PRO A 57 10.387 -3.762 17.965 1.00 0.00 H new ATOM 0 HB2 PRO A 57 11.465 -1.553 19.259 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.504 -2.809 18.614 1.00 0.00 H new ATOM 0 HG2 PRO A 57 11.780 -0.146 17.409 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.342 -0.937 17.471 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.803 -0.993 15.225 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.864 -2.324 15.640 1.00 0.00 H new ATOM 872 N LYS A 58 8.418 -2.678 18.840 1.00 0.00 N ATOM 873 CA LYS A 58 7.157 -2.101 19.288 1.00 0.00 C ATOM 874 C LYS A 58 7.399 -0.871 20.156 1.00 0.00 C ATOM 875 O LYS A 58 8.090 -0.926 21.174 1.00 0.00 O ATOM 876 CB LYS A 58 6.347 -3.138 20.069 1.00 0.00 C ATOM 877 CG LYS A 58 4.885 -2.764 20.241 1.00 0.00 C ATOM 878 CD LYS A 58 4.027 -3.985 20.530 1.00 0.00 C ATOM 879 CE LYS A 58 2.551 -3.626 20.599 1.00 0.00 C ATOM 880 NZ LYS A 58 1.725 -4.765 21.088 1.00 0.00 N ATOM 0 H LYS A 58 8.588 -3.627 19.172 1.00 0.00 H new ATOM 0 HA LYS A 58 6.593 -1.796 18.407 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.410 -4.098 19.556 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.797 -3.273 21.053 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.785 -2.047 21.056 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.526 -2.271 19.337 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.184 -4.734 19.753 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.338 -4.434 21.473 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.416 -2.770 21.260 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.204 -3.324 19.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.725 -4.480 21.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.833 -5.574 20.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.039 -5.037 22.041 1.00 0.00 H new ATOM 894 N PRO A 59 6.818 0.267 19.748 1.00 0.00 N ATOM 895 CA PRO A 59 6.955 1.532 20.475 1.00 0.00 C ATOM 896 C PRO A 59 6.215 1.517 21.808 1.00 0.00 C ATOM 897 O PRO A 59 5.412 0.623 22.074 1.00 0.00 O ATOM 898 CB PRO A 59 6.329 2.557 19.527 1.00 0.00 C ATOM 899 CG PRO A 59 5.371 1.771 18.699 1.00 0.00 C ATOM 900 CD PRO A 59 5.981 0.406 18.544 1.00 0.00 C ATOM 0 HA PRO A 59 7.993 1.746 20.729 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.820 3.347 20.079 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.086 3.038 18.907 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.396 1.710 19.182 1.00 0.00 H new ATOM 0 HG3 PRO A 59 5.217 2.242 17.728 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.219 -0.371 18.493 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.573 0.332 17.632 1.00 0.00 H new ATOM 908 N GLY A 60 6.490 2.514 22.644 1.00 0.00 N ATOM 909 CA GLY A 60 5.841 2.597 23.939 1.00 0.00 C ATOM 910 C GLY A 60 4.491 3.283 23.869 1.00 0.00 C ATOM 911 O GLY A 60 4.262 4.131 23.007 1.00 0.00 O ATOM 0 H GLY A 60 7.151 3.266 22.447 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.714 1.593 24.343 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.485 3.140 24.631 1.00 0.00 H new ATOM 915 N VAL A 61 3.594 2.916 24.778 1.00 0.00 N ATOM 916 CA VAL A 61 2.259 3.502 24.816 1.00 0.00 C ATOM 917 C VAL A 61 2.323 5.021 24.711 1.00 0.00 C ATOM 918 O VAL A 61 1.571 5.634 23.952 1.00 0.00 O ATOM 919 CB VAL A 61 1.514 3.118 26.108 1.00 0.00 C ATOM 920 CG1 VAL A 61 1.030 1.678 26.038 1.00 0.00 C ATOM 921 CG2 VAL A 61 2.407 3.331 27.321 1.00 0.00 C ATOM 0 H VAL A 61 3.767 2.215 25.499 1.00 0.00 H new ATOM 0 HA VAL A 61 1.714 3.104 23.960 1.00 0.00 H new ATOM 0 HB VAL A 61 0.642 3.764 26.210 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.506 1.425 26.960 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.352 1.563 25.192 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.884 1.013 25.912 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.865 3.055 28.225 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.299 2.711 27.229 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.698 4.380 27.379 1.00 0.00 H new ATOM 931 N PHE A 62 3.226 5.624 25.477 1.00 0.00 N ATOM 932 CA PHE A 62 3.388 7.073 25.471 1.00 0.00 C ATOM 933 C PHE A 62 3.504 7.602 24.044 1.00 0.00 C ATOM 934 O PHE A 62 3.072 8.715 23.746 1.00 0.00 O ATOM 935 CB PHE A 62 4.626 7.472 26.277 1.00 0.00 C ATOM 936 CG PHE A 62 4.365 7.608 27.750 1.00 0.00 C ATOM 937 CD1 PHE A 62 3.832 6.552 28.472 1.00 0.00 C ATOM 938 CD2 PHE A 62 4.651 8.791 28.412 1.00 0.00 C ATOM 939 CE1 PHE A 62 3.591 6.673 29.828 1.00 0.00 C ATOM 940 CE2 PHE A 62 4.412 8.918 29.767 1.00 0.00 C ATOM 941 CZ PHE A 62 3.880 7.858 30.476 1.00 0.00 C ATOM 0 H PHE A 62 3.857 5.132 26.110 1.00 0.00 H new ATOM 0 HA PHE A 62 2.504 7.514 25.932 1.00 0.00 H new ATOM 0 HB2 PHE A 62 5.406 6.727 26.122 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.009 8.419 25.895 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.602 5.624 27.970 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.065 9.623 27.863 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.177 5.842 30.380 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.641 9.845 30.272 1.00 0.00 H new ATOM 0 HZ PHE A 62 3.691 7.956 31.535 1.00 0.00 H new ATOM 951 N ASP A 63 4.091 6.795 23.167 1.00 0.00 N ATOM 952 CA ASP A 63 4.264 7.180 21.771 1.00 0.00 C ATOM 953 C ASP A 63 3.071 6.732 20.932 1.00 0.00 C ATOM 954 O ASP A 63 3.145 5.738 20.208 1.00 0.00 O ATOM 955 CB ASP A 63 5.553 6.577 21.210 1.00 0.00 C ATOM 956 CG ASP A 63 6.755 7.474 21.429 1.00 0.00 C ATOM 957 OD1 ASP A 63 6.889 8.026 22.541 1.00 0.00 O ATOM 958 OD2 ASP A 63 7.563 7.624 20.488 1.00 0.00 O ATOM 0 H ASP A 63 4.455 5.871 23.398 1.00 0.00 H new ATOM 0 HA ASP A 63 4.330 8.267 21.725 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.734 5.611 21.681 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.430 6.393 20.143 1.00 0.00 H new ATOM 963 N LEU A 64 1.972 7.471 21.035 1.00 0.00 N ATOM 964 CA LEU A 64 0.762 7.151 20.286 1.00 0.00 C ATOM 965 C LEU A 64 1.005 7.262 18.784 1.00 0.00 C ATOM 966 O LEU A 64 0.481 6.470 18.000 1.00 0.00 O ATOM 967 CB LEU A 64 -0.379 8.082 20.700 1.00 0.00 C ATOM 968 CG LEU A 64 -0.650 8.186 22.201 1.00 0.00 C ATOM 969 CD1 LEU A 64 -1.696 9.253 22.482 1.00 0.00 C ATOM 970 CD2 LEU A 64 -1.095 6.841 22.757 1.00 0.00 C ATOM 0 H LEU A 64 1.894 8.296 21.630 1.00 0.00 H new ATOM 0 HA LEU A 64 0.484 6.122 20.515 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.162 9.080 20.320 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.292 7.745 20.209 1.00 0.00 H new ATOM 0 HG LEU A 64 0.276 8.474 22.699 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.876 9.313 23.555 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.339 10.217 22.120 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.624 8.995 21.972 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.283 6.934 23.827 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.008 6.523 22.254 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.312 6.101 22.589 1.00 0.00 H new ATOM 982 N ILE A 65 1.804 8.248 18.391 1.00 0.00 N ATOM 983 CA ILE A 65 2.119 8.460 16.984 1.00 0.00 C ATOM 984 C ILE A 65 2.745 7.214 16.367 1.00 0.00 C ATOM 985 O ILE A 65 2.230 6.665 15.394 1.00 0.00 O ATOM 986 CB ILE A 65 3.078 9.650 16.794 1.00 0.00 C ATOM 987 CG1 ILE A 65 2.491 10.912 17.428 1.00 0.00 C ATOM 988 CG2 ILE A 65 3.359 9.874 15.316 1.00 0.00 C ATOM 989 CD1 ILE A 65 1.432 11.579 16.578 1.00 0.00 C ATOM 0 H ILE A 65 2.245 8.912 19.027 1.00 0.00 H new ATOM 0 HA ILE A 65 1.178 8.679 16.480 1.00 0.00 H new ATOM 0 HB ILE A 65 4.020 9.421 17.291 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.060 10.656 18.396 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.296 11.623 17.615 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.038 10.718 15.199 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.816 8.979 14.893 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.425 10.085 14.796 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.061 12.467 17.090 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.863 11.867 15.619 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.608 10.885 16.412 1.00 0.00 H new ATOM 1001 N ASN A 66 3.859 6.772 16.941 1.00 0.00 N ATOM 1002 CA ASN A 66 4.556 5.589 16.448 1.00 0.00 C ATOM 1003 C ASN A 66 3.696 4.340 16.621 1.00 0.00 C ATOM 1004 O ASN A 66 3.593 3.513 15.714 1.00 0.00 O ATOM 1005 CB ASN A 66 5.886 5.411 17.184 1.00 0.00 C ATOM 1006 CG ASN A 66 6.925 6.429 16.753 1.00 0.00 C ATOM 1007 OD1 ASN A 66 7.849 6.110 16.005 1.00 0.00 O ATOM 1008 ND2 ASN A 66 6.777 7.661 17.224 1.00 0.00 N ATOM 0 H ASN A 66 4.299 7.215 17.748 1.00 0.00 H new ATOM 0 HA ASN A 66 4.752 5.730 15.385 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.719 5.498 18.258 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.268 4.406 17.002 1.00 0.00 H new ATOM 0 HD21 ASN A 66 7.445 8.388 16.968 1.00 0.00 H new ATOM 0 HD22 ASN A 66 5.995 7.880 17.842 1.00 0.00 H new ATOM 1015 N LYS A 67 3.080 4.210 17.791 1.00 0.00 N ATOM 1016 CA LYS A 67 2.227 3.064 18.083 1.00 0.00 C ATOM 1017 C LYS A 67 1.128 2.922 17.035 1.00 0.00 C ATOM 1018 O LYS A 67 0.771 1.811 16.644 1.00 0.00 O ATOM 1019 CB LYS A 67 1.605 3.207 19.474 1.00 0.00 C ATOM 1020 CG LYS A 67 1.144 1.890 20.073 1.00 0.00 C ATOM 1021 CD LYS A 67 2.321 0.988 20.406 1.00 0.00 C ATOM 1022 CE LYS A 67 1.940 -0.071 21.430 1.00 0.00 C ATOM 1023 NZ LYS A 67 0.777 -0.884 20.980 1.00 0.00 N ATOM 0 H LYS A 67 3.156 4.884 18.553 1.00 0.00 H new ATOM 0 HA LYS A 67 2.845 2.167 18.058 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.333 3.665 20.143 1.00 0.00 H new ATOM 0 HB3 LYS A 67 0.755 3.887 19.414 1.00 0.00 H new ATOM 0 HG2 LYS A 67 0.565 2.083 20.976 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.482 1.382 19.372 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.679 0.505 19.497 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.144 1.590 20.792 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.793 -0.726 21.610 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.702 0.410 22.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.623 -1.668 21.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.073 -0.285 20.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.968 -1.268 20.032 1.00 0.00 H new ATOM 1037 N ALA A 68 0.597 4.054 16.584 1.00 0.00 N ATOM 1038 CA ALA A 68 -0.459 4.055 15.579 1.00 0.00 C ATOM 1039 C ALA A 68 0.001 3.364 14.300 1.00 0.00 C ATOM 1040 O ALA A 68 -0.721 2.547 13.728 1.00 0.00 O ATOM 1041 CB ALA A 68 -0.903 5.479 15.282 1.00 0.00 C ATOM 0 H ALA A 68 0.881 4.982 16.899 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.307 3.498 15.977 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.692 5.465 14.530 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.280 5.940 16.195 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.056 6.054 14.908 1.00 0.00 H new ATOM 1047 N LYS A 69 1.207 3.698 13.853 1.00 0.00 N ATOM 1048 CA LYS A 69 1.765 3.110 12.641 1.00 0.00 C ATOM 1049 C LYS A 69 2.149 1.652 12.871 1.00 0.00 C ATOM 1050 O LYS A 69 1.812 0.778 12.071 1.00 0.00 O ATOM 1051 CB LYS A 69 2.989 3.905 12.181 1.00 0.00 C ATOM 1052 CG LYS A 69 2.654 5.041 11.230 1.00 0.00 C ATOM 1053 CD LYS A 69 3.693 6.148 11.295 1.00 0.00 C ATOM 1054 CE LYS A 69 3.363 7.280 10.335 1.00 0.00 C ATOM 1055 NZ LYS A 69 3.963 7.059 8.990 1.00 0.00 N ATOM 0 H LYS A 69 1.817 4.374 14.313 1.00 0.00 H new ATOM 0 HA LYS A 69 1.002 3.148 11.864 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.497 4.312 13.055 1.00 0.00 H new ATOM 0 HB3 LYS A 69 3.689 3.228 11.692 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.593 4.658 10.211 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.673 5.447 11.478 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.749 6.537 12.312 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.675 5.741 11.055 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.281 7.371 10.239 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.728 8.222 10.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.451 7.626 8.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 4.963 7.345 9.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.895 6.052 8.741 1.00 0.00 H new ATOM 1069 N TRP A 70 2.854 1.396 13.967 1.00 0.00 N ATOM 1070 CA TRP A 70 3.283 0.043 14.301 1.00 0.00 C ATOM 1071 C TRP A 70 2.111 -0.930 14.239 1.00 0.00 C ATOM 1072 O TRP A 70 2.267 -2.077 13.819 1.00 0.00 O ATOM 1073 CB TRP A 70 3.911 0.015 15.696 1.00 0.00 C ATOM 1074 CG TRP A 70 4.784 -1.180 15.931 1.00 0.00 C ATOM 1075 CD1 TRP A 70 6.122 -1.280 15.680 1.00 0.00 C ATOM 1076 CD2 TRP A 70 4.378 -2.447 16.461 1.00 0.00 C ATOM 1077 NE1 TRP A 70 6.573 -2.532 16.022 1.00 0.00 N ATOM 1078 CE2 TRP A 70 5.523 -3.266 16.504 1.00 0.00 C ATOM 1079 CE3 TRP A 70 3.159 -2.968 16.904 1.00 0.00 C ATOM 1080 CZ2 TRP A 70 5.482 -4.577 16.973 1.00 0.00 C ATOM 1081 CZ3 TRP A 70 3.121 -4.269 17.369 1.00 0.00 C ATOM 1082 CH2 TRP A 70 4.276 -5.061 17.401 1.00 0.00 C ATOM 0 H TRP A 70 3.141 2.107 14.639 1.00 0.00 H new ATOM 0 HA TRP A 70 4.028 -0.267 13.568 1.00 0.00 H new ATOM 0 HB2 TRP A 70 4.501 0.920 15.839 1.00 0.00 H new ATOM 0 HB3 TRP A 70 3.118 0.029 16.444 1.00 0.00 H new ATOM 0 HD1 TRP A 70 6.736 -0.491 15.272 1.00 0.00 H new ATOM 0 HE1 TRP A 70 7.534 -2.861 15.931 1.00 0.00 H new ATOM 0 HE3 TRP A 70 2.263 -2.365 16.883 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 6.371 -5.190 16.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 2.185 -4.682 17.714 1.00 0.00 H new ATOM 0 HH2 TRP A 70 4.213 -6.074 17.771 1.00 0.00 H new ATOM 1093 N ASP A 71 0.939 -0.466 14.657 1.00 0.00 N ATOM 1094 CA ASP A 71 -0.260 -1.296 14.647 1.00 0.00 C ATOM 1095 C ASP A 71 -0.829 -1.412 13.236 1.00 0.00 C ATOM 1096 O ASP A 71 -1.571 -2.345 12.930 1.00 0.00 O ATOM 1097 CB ASP A 71 -1.316 -0.716 15.590 1.00 0.00 C ATOM 1098 CG ASP A 71 -1.166 -1.224 17.010 1.00 0.00 C ATOM 1099 OD1 ASP A 71 -0.106 -0.972 17.621 1.00 0.00 O ATOM 1100 OD2 ASP A 71 -2.107 -1.875 17.511 1.00 0.00 O ATOM 0 H ASP A 71 0.793 0.481 15.007 1.00 0.00 H new ATOM 0 HA ASP A 71 0.015 -2.293 14.992 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.244 0.372 15.587 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -2.309 -0.970 15.219 1.00 0.00 H new ATOM 1105 N ALA A 72 -0.476 -0.457 12.381 1.00 0.00 N ATOM 1106 CA ALA A 72 -0.950 -0.453 11.003 1.00 0.00 C ATOM 1107 C ALA A 72 -0.088 -1.351 10.123 1.00 0.00 C ATOM 1108 O ALA A 72 -0.600 -2.081 9.275 1.00 0.00 O ATOM 1109 CB ALA A 72 -0.968 0.966 10.456 1.00 0.00 C ATOM 0 H ALA A 72 0.136 0.323 12.619 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.966 -0.847 10.993 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.324 0.954 9.426 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.632 1.581 11.063 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.040 1.381 10.487 1.00 0.00 H new ATOM 1115 N TRP A 73 1.223 -1.291 10.330 1.00 0.00 N ATOM 1116 CA TRP A 73 2.157 -2.099 9.554 1.00 0.00 C ATOM 1117 C TRP A 73 2.245 -3.515 10.111 1.00 0.00 C ATOM 1118 O TRP A 73 2.484 -4.469 9.372 1.00 0.00 O ATOM 1119 CB TRP A 73 3.543 -1.451 9.551 1.00 0.00 C ATOM 1120 CG TRP A 73 4.546 -2.200 8.726 1.00 0.00 C ATOM 1121 CD1 TRP A 73 4.286 -3.172 7.803 1.00 0.00 C ATOM 1122 CD2 TRP A 73 5.968 -2.038 8.752 1.00 0.00 C ATOM 1123 NE1 TRP A 73 5.462 -3.624 7.253 1.00 0.00 N ATOM 1124 CE2 TRP A 73 6.508 -2.944 7.818 1.00 0.00 C ATOM 1125 CE3 TRP A 73 6.838 -1.214 9.471 1.00 0.00 C ATOM 1126 CZ2 TRP A 73 7.877 -3.048 7.588 1.00 0.00 C ATOM 1127 CZ3 TRP A 73 8.197 -1.319 9.242 1.00 0.00 C ATOM 1128 CH2 TRP A 73 8.706 -2.230 8.306 1.00 0.00 C ATOM 0 H TRP A 73 1.663 -0.692 11.028 1.00 0.00 H new ATOM 0 HA TRP A 73 1.787 -2.154 8.530 1.00 0.00 H new ATOM 0 HB2 TRP A 73 3.459 -0.432 9.172 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.906 -1.381 10.576 1.00 0.00 H new ATOM 0 HD1 TRP A 73 3.302 -3.533 7.543 1.00 0.00 H new ATOM 0 HE1 TRP A 73 5.543 -4.349 6.540 1.00 0.00 H new ATOM 0 HE3 TRP A 73 6.455 -0.508 10.193 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 8.271 -3.750 6.868 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 8.878 -0.688 9.794 1.00 0.00 H new ATOM 0 HH2 TRP A 73 9.773 -2.287 8.149 1.00 0.00 H new ATOM 1139 N ASN A 74 2.050 -3.645 11.420 1.00 0.00 N ATOM 1140 CA ASN A 74 2.109 -4.946 12.076 1.00 0.00 C ATOM 1141 C ASN A 74 0.907 -5.803 11.691 1.00 0.00 C ATOM 1142 O ASN A 74 1.043 -6.996 11.420 1.00 0.00 O ATOM 1143 CB ASN A 74 2.160 -4.772 13.595 1.00 0.00 C ATOM 1144 CG ASN A 74 2.026 -6.091 14.332 1.00 0.00 C ATOM 1145 OD1 ASN A 74 2.597 -7.103 13.925 1.00 0.00 O ATOM 1146 ND2 ASN A 74 1.269 -6.084 15.423 1.00 0.00 N ATOM 0 H ASN A 74 1.850 -2.865 12.047 1.00 0.00 H new ATOM 0 HA ASN A 74 3.015 -5.452 11.745 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.101 -4.298 13.872 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.360 -4.101 13.908 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.142 -6.941 15.961 1.00 0.00 H new ATOM 0 HD22 ASN A 74 0.815 -5.221 15.723 1.00 0.00 H new ATOM 1153 N ALA A 75 -0.270 -5.187 11.669 1.00 0.00 N ATOM 1154 CA ALA A 75 -1.496 -5.892 11.315 1.00 0.00 C ATOM 1155 C ALA A 75 -1.306 -6.721 10.050 1.00 0.00 C ATOM 1156 O ALA A 75 -1.945 -7.760 9.874 1.00 0.00 O ATOM 1157 CB ALA A 75 -2.640 -4.905 11.135 1.00 0.00 C ATOM 0 H ALA A 75 -0.401 -4.200 11.892 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.743 -6.572 12.130 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.549 -5.446 10.871 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.800 -4.359 12.065 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.392 -4.202 10.340 1.00 0.00 H new ATOM 1163 N LEU A 76 -0.425 -6.257 9.171 1.00 0.00 N ATOM 1164 CA LEU A 76 -0.152 -6.957 7.920 1.00 0.00 C ATOM 1165 C LEU A 76 0.388 -8.358 8.187 1.00 0.00 C ATOM 1166 O LEU A 76 -0.092 -9.338 7.619 1.00 0.00 O ATOM 1167 CB LEU A 76 0.850 -6.164 7.078 1.00 0.00 C ATOM 1168 CG LEU A 76 0.272 -5.007 6.262 1.00 0.00 C ATOM 1169 CD1 LEU A 76 -0.368 -5.523 4.983 1.00 0.00 C ATOM 1170 CD2 LEU A 76 -0.738 -4.224 7.087 1.00 0.00 C ATOM 0 H LEU A 76 0.112 -5.400 9.301 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.089 -7.047 7.370 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.618 -5.766 7.742 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.345 -6.853 6.394 1.00 0.00 H new ATOM 0 HG LEU A 76 1.088 -4.336 5.991 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.774 -4.685 4.416 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.382 -6.038 4.383 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.172 -6.216 5.232 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.139 -3.405 6.490 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.551 -4.884 7.389 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.249 -3.821 7.974 1.00 0.00 H new ATOM 1182 N GLY A 77 1.390 -8.445 9.057 1.00 0.00 N ATOM 1183 CA GLY A 77 1.977 -9.731 9.385 1.00 0.00 C ATOM 1184 C GLY A 77 3.000 -10.180 8.360 1.00 0.00 C ATOM 1185 O GLY A 77 3.844 -9.394 7.929 1.00 0.00 O ATOM 0 H GLY A 77 1.805 -7.648 9.540 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.451 -9.671 10.365 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.188 -10.479 9.458 1.00 0.00 H new ATOM 1189 N SER A 78 2.927 -11.448 7.970 1.00 0.00 N ATOM 1190 CA SER A 78 3.858 -12.003 6.993 1.00 0.00 C ATOM 1191 C SER A 78 3.397 -11.698 5.571 1.00 0.00 C ATOM 1192 O SER A 78 3.532 -12.528 4.671 1.00 0.00 O ATOM 1193 CB SER A 78 3.991 -13.514 7.185 1.00 0.00 C ATOM 1194 OG SER A 78 4.599 -13.819 8.429 1.00 0.00 O ATOM 0 H SER A 78 2.233 -12.111 8.315 1.00 0.00 H new ATOM 0 HA SER A 78 4.831 -11.538 7.149 1.00 0.00 H new ATOM 0 HB2 SER A 78 3.006 -13.978 7.135 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.584 -13.936 6.374 1.00 0.00 H new ATOM 0 HG SER A 78 4.671 -14.791 8.528 1.00 0.00 H new ATOM 1200 N LEU A 79 2.853 -10.502 5.375 1.00 0.00 N ATOM 1201 CA LEU A 79 2.372 -10.086 4.063 1.00 0.00 C ATOM 1202 C LEU A 79 3.538 -9.803 3.120 1.00 0.00 C ATOM 1203 O LEU A 79 4.388 -8.952 3.383 1.00 0.00 O ATOM 1204 CB LEU A 79 1.492 -8.841 4.191 1.00 0.00 C ATOM 1205 CG LEU A 79 0.381 -8.695 3.151 1.00 0.00 C ATOM 1206 CD1 LEU A 79 0.965 -8.341 1.792 1.00 0.00 C ATOM 1207 CD2 LEU A 79 -0.440 -9.973 3.063 1.00 0.00 C ATOM 0 H LEU A 79 2.734 -9.803 6.109 1.00 0.00 H new ATOM 0 HA LEU A 79 1.780 -10.901 3.646 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.037 -8.842 5.182 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.132 -7.961 4.135 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.278 -7.885 3.464 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.159 -8.241 1.065 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.508 -7.399 1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.647 -9.129 1.472 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.226 -9.850 2.318 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.207 -10.802 2.775 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.890 -10.184 4.033 1.00 0.00 H new ATOM 1219 N PRO A 80 3.579 -10.531 1.995 1.00 0.00 N ATOM 1220 CA PRO A 80 4.634 -10.374 0.989 1.00 0.00 C ATOM 1221 C PRO A 80 4.531 -9.048 0.243 1.00 0.00 C ATOM 1222 O PRO A 80 3.498 -8.380 0.281 1.00 0.00 O ATOM 1223 CB PRO A 80 4.390 -11.545 0.033 1.00 0.00 C ATOM 1224 CG PRO A 80 2.941 -11.860 0.183 1.00 0.00 C ATOM 1225 CD PRO A 80 2.599 -11.563 1.617 1.00 0.00 C ATOM 0 HA PRO A 80 5.627 -10.372 1.438 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.632 -11.274 -0.995 1.00 0.00 H new ATOM 0 HB3 PRO A 80 5.011 -12.403 0.291 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.338 -11.256 -0.495 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.742 -12.904 -0.058 1.00 0.00 H new ATOM 0 HD2 PRO A 80 1.576 -11.202 1.720 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.688 -12.451 2.243 1.00 0.00 H new ATOM 1233 N LYS A 81 5.610 -8.671 -0.435 1.00 0.00 N ATOM 1234 CA LYS A 81 5.642 -7.425 -1.192 1.00 0.00 C ATOM 1235 C LYS A 81 4.617 -7.448 -2.322 1.00 0.00 C ATOM 1236 O LYS A 81 3.897 -6.474 -2.537 1.00 0.00 O ATOM 1237 CB LYS A 81 7.042 -7.187 -1.763 1.00 0.00 C ATOM 1238 CG LYS A 81 8.144 -7.256 -0.721 1.00 0.00 C ATOM 1239 CD LYS A 81 8.382 -5.904 -0.070 1.00 0.00 C ATOM 1240 CE LYS A 81 9.559 -5.947 0.892 1.00 0.00 C ATOM 1241 NZ LYS A 81 9.572 -7.200 1.697 1.00 0.00 N ATOM 0 H LYS A 81 6.474 -9.211 -0.476 1.00 0.00 H new ATOM 0 HA LYS A 81 5.390 -6.610 -0.513 1.00 0.00 H new ATOM 0 HB2 LYS A 81 7.240 -7.927 -2.538 1.00 0.00 H new ATOM 0 HB3 LYS A 81 7.068 -6.209 -2.243 1.00 0.00 H new ATOM 0 HG2 LYS A 81 7.878 -7.987 0.043 1.00 0.00 H new ATOM 0 HG3 LYS A 81 9.066 -7.603 -1.188 1.00 0.00 H new ATOM 0 HD2 LYS A 81 8.568 -5.156 -0.841 1.00 0.00 H new ATOM 0 HD3 LYS A 81 7.485 -5.594 0.465 1.00 0.00 H new ATOM 0 HE2 LYS A 81 10.490 -5.866 0.331 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.514 -5.087 1.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 10.082 -7.035 2.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 8.595 -7.489 1.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 10.048 -7.953 1.160 1.00 0.00 H new ATOM 1255 N GLU A 82 4.558 -8.567 -3.038 1.00 0.00 N ATOM 1256 CA GLU A 82 3.620 -8.715 -4.144 1.00 0.00 C ATOM 1257 C GLU A 82 2.221 -8.262 -3.737 1.00 0.00 C ATOM 1258 O GLU A 82 1.635 -7.381 -4.365 1.00 0.00 O ATOM 1259 CB GLU A 82 3.579 -10.170 -4.616 1.00 0.00 C ATOM 1260 CG GLU A 82 4.851 -10.619 -5.316 1.00 0.00 C ATOM 1261 CD GLU A 82 4.614 -11.767 -6.278 1.00 0.00 C ATOM 1262 OE1 GLU A 82 4.584 -12.928 -5.821 1.00 0.00 O ATOM 1263 OE2 GLU A 82 4.456 -11.503 -7.489 1.00 0.00 O ATOM 0 H GLU A 82 5.148 -9.383 -2.872 1.00 0.00 H new ATOM 0 HA GLU A 82 3.963 -8.084 -4.964 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.399 -10.817 -3.757 1.00 0.00 H new ATOM 0 HB3 GLU A 82 2.736 -10.299 -5.295 1.00 0.00 H new ATOM 0 HG2 GLU A 82 5.279 -9.777 -5.860 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.585 -10.922 -4.569 1.00 0.00 H new ATOM 1270 N ALA A 83 1.692 -8.871 -2.681 1.00 0.00 N ATOM 1271 CA ALA A 83 0.364 -8.530 -2.188 1.00 0.00 C ATOM 1272 C ALA A 83 0.341 -7.124 -1.597 1.00 0.00 C ATOM 1273 O ALA A 83 -0.572 -6.344 -1.862 1.00 0.00 O ATOM 1274 CB ALA A 83 -0.093 -9.547 -1.153 1.00 0.00 C ATOM 0 H ALA A 83 2.163 -9.603 -2.150 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.326 -8.552 -3.032 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.087 -9.279 -0.794 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.126 -10.538 -1.606 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.606 -9.554 -0.316 1.00 0.00 H new ATOM 1280 N ALA A 84 1.353 -6.809 -0.794 1.00 0.00 N ATOM 1281 CA ALA A 84 1.449 -5.497 -0.166 1.00 0.00 C ATOM 1282 C ALA A 84 1.275 -4.383 -1.193 1.00 0.00 C ATOM 1283 O ALA A 84 0.760 -3.311 -0.877 1.00 0.00 O ATOM 1284 CB ALA A 84 2.783 -5.352 0.551 1.00 0.00 C ATOM 0 H ALA A 84 2.117 -7.444 -0.564 1.00 0.00 H new ATOM 0 HA ALA A 84 0.645 -5.411 0.565 1.00 0.00 H new ATOM 0 HB1 ALA A 84 2.841 -4.368 1.015 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.869 -6.121 1.319 1.00 0.00 H new ATOM 0 HB3 ALA A 84 3.596 -5.463 -0.167 1.00 0.00 H new ATOM 1290 N ARG A 85 1.707 -4.645 -2.422 1.00 0.00 N ATOM 1291 CA ARG A 85 1.600 -3.663 -3.494 1.00 0.00 C ATOM 1292 C ARG A 85 0.153 -3.517 -3.956 1.00 0.00 C ATOM 1293 O ARG A 85 -0.320 -2.409 -4.204 1.00 0.00 O ATOM 1294 CB ARG A 85 2.485 -4.067 -4.675 1.00 0.00 C ATOM 1295 CG ARG A 85 3.969 -3.862 -4.422 1.00 0.00 C ATOM 1296 CD ARG A 85 4.424 -2.480 -4.866 1.00 0.00 C ATOM 1297 NE ARG A 85 5.762 -2.161 -4.376 1.00 0.00 N ATOM 1298 CZ ARG A 85 6.499 -1.162 -4.849 1.00 0.00 C ATOM 1299 NH1 ARG A 85 6.030 -0.389 -5.819 1.00 0.00 N ATOM 1300 NH2 ARG A 85 7.708 -0.934 -4.351 1.00 0.00 N ATOM 0 H ARG A 85 2.134 -5.529 -2.700 1.00 0.00 H new ATOM 0 HA ARG A 85 1.938 -2.702 -3.107 1.00 0.00 H new ATOM 0 HB2 ARG A 85 2.307 -5.116 -4.909 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.192 -3.490 -5.552 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.180 -3.992 -3.360 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.539 -4.623 -4.956 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.415 -2.428 -5.955 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.718 -1.732 -4.505 1.00 0.00 H new ATOM 0 HE ARG A 85 6.152 -2.737 -3.630 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.101 -0.561 -6.204 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.598 0.377 -6.180 1.00 0.00 H new ATOM 0 HH21 ARG A 85 8.072 -1.526 -3.604 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.273 -0.167 -4.715 1.00 0.00 H new ATOM 1314 N GLN A 86 -0.543 -4.644 -4.068 1.00 0.00 N ATOM 1315 CA GLN A 86 -1.936 -4.641 -4.501 1.00 0.00 C ATOM 1316 C GLN A 86 -2.842 -4.072 -3.414 1.00 0.00 C ATOM 1317 O GLN A 86 -3.704 -3.238 -3.686 1.00 0.00 O ATOM 1318 CB GLN A 86 -2.382 -6.059 -4.863 1.00 0.00 C ATOM 1319 CG GLN A 86 -3.485 -6.101 -5.908 1.00 0.00 C ATOM 1320 CD GLN A 86 -4.688 -5.263 -5.521 1.00 0.00 C ATOM 1321 OE1 GLN A 86 -5.224 -5.397 -4.420 1.00 0.00 O ATOM 1322 NE2 GLN A 86 -5.119 -4.392 -6.425 1.00 0.00 N ATOM 0 H GLN A 86 -0.166 -5.570 -3.865 1.00 0.00 H new ATOM 0 HA GLN A 86 -2.015 -4.006 -5.384 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -1.522 -6.619 -5.231 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -2.728 -6.564 -3.961 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -3.091 -5.747 -6.861 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -3.799 -7.134 -6.058 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -4.645 -4.314 -7.325 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.924 -3.801 -6.220 1.00 0.00 H new ATOM 1331 N ASN A 87 -2.641 -4.531 -2.183 1.00 0.00 N ATOM 1332 CA ASN A 87 -3.442 -4.068 -1.055 1.00 0.00 C ATOM 1333 C ASN A 87 -3.493 -2.544 -1.013 1.00 0.00 C ATOM 1334 O ASN A 87 -4.559 -1.952 -0.842 1.00 0.00 O ATOM 1335 CB ASN A 87 -2.870 -4.607 0.258 1.00 0.00 C ATOM 1336 CG ASN A 87 -2.858 -6.123 0.304 1.00 0.00 C ATOM 1337 OD1 ASN A 87 -2.621 -6.784 -0.707 1.00 0.00 O ATOM 1338 ND2 ASN A 87 -3.113 -6.680 1.482 1.00 0.00 N ATOM 0 H ASN A 87 -1.931 -5.222 -1.941 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.457 -4.444 -1.183 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -1.854 -4.234 0.389 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.459 -4.226 1.092 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -3.118 -7.696 1.576 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -3.304 -6.092 2.293 1.00 0.00 H new ATOM 1345 N TYR A 88 -2.334 -1.915 -1.170 1.00 0.00 N ATOM 1346 CA TYR A 88 -2.245 -0.459 -1.149 1.00 0.00 C ATOM 1347 C TYR A 88 -3.141 0.157 -2.219 1.00 0.00 C ATOM 1348 O TYR A 88 -4.147 0.796 -1.910 1.00 0.00 O ATOM 1349 CB TYR A 88 -0.797 -0.012 -1.361 1.00 0.00 C ATOM 1350 CG TYR A 88 -0.583 1.468 -1.142 1.00 0.00 C ATOM 1351 CD1 TYR A 88 -1.215 2.409 -1.946 1.00 0.00 C ATOM 1352 CD2 TYR A 88 0.252 1.927 -0.130 1.00 0.00 C ATOM 1353 CE1 TYR A 88 -1.021 3.762 -1.750 1.00 0.00 C ATOM 1354 CE2 TYR A 88 0.451 3.279 0.074 1.00 0.00 C ATOM 1355 CZ TYR A 88 -0.187 4.192 -0.738 1.00 0.00 C ATOM 1356 OH TYR A 88 0.007 5.540 -0.539 1.00 0.00 O ATOM 0 H TYR A 88 -1.443 -2.390 -1.313 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.585 -0.114 -0.173 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.151 -0.569 -0.682 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.491 -0.269 -2.375 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.869 2.076 -2.738 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.754 1.215 0.508 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.519 4.480 -2.385 1.00 0.00 H new ATOM 0 HE2 TYR A 88 1.103 3.619 0.865 1.00 0.00 H new ATOM 0 HH TYR A 88 0.621 5.675 0.213 1.00 0.00 H new ATOM 1366 N VAL A 89 -2.768 -0.041 -3.479 1.00 0.00 N ATOM 1367 CA VAL A 89 -3.538 0.493 -4.597 1.00 0.00 C ATOM 1368 C VAL A 89 -5.021 0.177 -4.444 1.00 0.00 C ATOM 1369 O VAL A 89 -5.876 1.028 -4.688 1.00 0.00 O ATOM 1370 CB VAL A 89 -3.040 -0.071 -5.941 1.00 0.00 C ATOM 1371 CG1 VAL A 89 -1.595 0.337 -6.189 1.00 0.00 C ATOM 1372 CG2 VAL A 89 -3.189 -1.584 -5.972 1.00 0.00 C ATOM 0 H VAL A 89 -1.938 -0.567 -3.752 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.398 1.574 -4.590 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.652 0.347 -6.740 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.260 -0.071 -7.143 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.523 1.424 -6.214 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.965 -0.050 -5.388 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.832 -1.965 -6.929 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.603 -2.024 -5.165 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.239 -1.849 -5.844 1.00 0.00 H new ATOM 1382 N ASP A 90 -5.319 -1.052 -4.037 1.00 0.00 N ATOM 1383 CA ASP A 90 -6.700 -1.482 -3.850 1.00 0.00 C ATOM 1384 C ASP A 90 -7.456 -0.505 -2.954 1.00 0.00 C ATOM 1385 O ASP A 90 -8.639 -0.237 -3.169 1.00 0.00 O ATOM 1386 CB ASP A 90 -6.742 -2.886 -3.244 1.00 0.00 C ATOM 1387 CG ASP A 90 -8.032 -3.615 -3.563 1.00 0.00 C ATOM 1388 OD1 ASP A 90 -9.093 -2.958 -3.593 1.00 0.00 O ATOM 1389 OD2 ASP A 90 -7.981 -4.844 -3.781 1.00 0.00 O ATOM 0 H ASP A 90 -4.623 -1.768 -3.830 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.184 -1.502 -4.826 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -5.898 -3.466 -3.618 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.626 -2.816 -2.163 1.00 0.00 H new ATOM 1394 N LEU A 91 -6.766 0.023 -1.949 1.00 0.00 N ATOM 1395 CA LEU A 91 -7.372 0.970 -1.020 1.00 0.00 C ATOM 1396 C LEU A 91 -7.689 2.290 -1.716 1.00 0.00 C ATOM 1397 O LEU A 91 -8.852 2.673 -1.843 1.00 0.00 O ATOM 1398 CB LEU A 91 -6.440 1.217 0.168 1.00 0.00 C ATOM 1399 CG LEU A 91 -7.007 2.075 1.299 1.00 0.00 C ATOM 1400 CD1 LEU A 91 -7.150 3.521 0.853 1.00 0.00 C ATOM 1401 CD2 LEU A 91 -8.347 1.524 1.766 1.00 0.00 C ATOM 0 H LEU A 91 -5.787 -0.189 -1.757 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.305 0.539 -0.658 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.149 0.252 0.582 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.532 1.693 -0.201 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.311 2.043 2.137 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.555 4.116 1.672 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.173 3.912 0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.824 3.573 -0.002 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -8.736 2.147 2.571 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.051 1.525 0.934 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.215 0.504 2.128 1.00 0.00 H new ATOM 1413 N VAL A 92 -6.646 2.980 -2.166 1.00 0.00 N ATOM 1414 CA VAL A 92 -6.813 4.255 -2.853 1.00 0.00 C ATOM 1415 C VAL A 92 -7.967 4.197 -3.848 1.00 0.00 C ATOM 1416 O VAL A 92 -8.700 5.171 -4.021 1.00 0.00 O ATOM 1417 CB VAL A 92 -5.528 4.664 -3.597 1.00 0.00 C ATOM 1418 CG1 VAL A 92 -5.759 5.932 -4.405 1.00 0.00 C ATOM 1419 CG2 VAL A 92 -4.380 4.849 -2.616 1.00 0.00 C ATOM 0 H VAL A 92 -5.677 2.678 -2.067 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.034 5.000 -2.088 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.260 3.865 -4.288 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.840 6.205 -4.924 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.550 5.759 -5.135 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.053 6.741 -3.736 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.480 5.138 -3.159 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.637 5.628 -1.898 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.200 3.914 -2.086 1.00 0.00 H new ATOM 1429 N SER A 93 -8.122 3.049 -4.499 1.00 0.00 N ATOM 1430 CA SER A 93 -9.186 2.865 -5.480 1.00 0.00 C ATOM 1431 C SER A 93 -10.549 2.802 -4.797 1.00 0.00 C ATOM 1432 O SER A 93 -11.552 3.256 -5.347 1.00 0.00 O ATOM 1433 CB SER A 93 -8.947 1.588 -6.287 1.00 0.00 C ATOM 1434 OG SER A 93 -9.607 1.646 -7.540 1.00 0.00 O ATOM 0 H SER A 93 -7.525 2.233 -4.365 1.00 0.00 H new ATOM 0 HA SER A 93 -9.177 3.720 -6.156 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.877 1.447 -6.442 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.304 0.726 -5.724 1.00 0.00 H new ATOM 0 HG SER A 93 -9.438 0.819 -8.038 1.00 0.00 H new ATOM 1440 N SER A 94 -10.576 2.234 -3.595 1.00 0.00 N ATOM 1441 CA SER A 94 -11.816 2.108 -2.838 1.00 0.00 C ATOM 1442 C SER A 94 -12.368 3.480 -2.466 1.00 0.00 C ATOM 1443 O SER A 94 -13.576 3.715 -2.531 1.00 0.00 O ATOM 1444 CB SER A 94 -11.583 1.279 -1.573 1.00 0.00 C ATOM 1445 OG SER A 94 -12.801 0.751 -1.078 1.00 0.00 O ATOM 0 H SER A 94 -9.754 1.854 -3.125 1.00 0.00 H new ATOM 0 HA SER A 94 -12.547 1.601 -3.467 1.00 0.00 H new ATOM 0 HB2 SER A 94 -10.892 0.465 -1.790 1.00 0.00 H new ATOM 0 HB3 SER A 94 -11.115 1.899 -0.809 1.00 0.00 H new ATOM 0 HG SER A 94 -12.625 0.224 -0.271 1.00 0.00 H new ATOM 1451 N LEU A 95 -11.476 4.384 -2.076 1.00 0.00 N ATOM 1452 CA LEU A 95 -11.873 5.734 -1.693 1.00 0.00 C ATOM 1453 C LEU A 95 -12.529 6.461 -2.862 1.00 0.00 C ATOM 1454 O LEU A 95 -13.551 7.128 -2.696 1.00 0.00 O ATOM 1455 CB LEU A 95 -10.657 6.524 -1.204 1.00 0.00 C ATOM 1456 CG LEU A 95 -10.009 6.027 0.089 1.00 0.00 C ATOM 1457 CD1 LEU A 95 -8.623 6.630 0.258 1.00 0.00 C ATOM 1458 CD2 LEU A 95 -10.887 6.359 1.287 1.00 0.00 C ATOM 0 H LEU A 95 -10.473 4.206 -2.017 1.00 0.00 H new ATOM 0 HA LEU A 95 -12.599 5.657 -0.884 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.903 6.516 -1.991 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -10.957 7.562 -1.061 1.00 0.00 H new ATOM 0 HG LEU A 95 -9.906 4.944 0.028 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -8.178 6.265 1.183 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.995 6.342 -0.585 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -8.701 7.716 0.297 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -10.411 5.998 2.198 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -11.022 7.439 1.351 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -11.858 5.878 1.171 1.00 0.00 H new ATOM 1470 N SER A 96 -11.936 6.327 -4.044 1.00 0.00 N ATOM 1471 CA SER A 96 -12.463 6.972 -5.241 1.00 0.00 C ATOM 1472 C SER A 96 -13.758 6.305 -5.693 1.00 0.00 C ATOM 1473 O SER A 96 -13.919 5.087 -5.614 1.00 0.00 O ATOM 1474 CB SER A 96 -11.430 6.923 -6.368 1.00 0.00 C ATOM 1475 OG SER A 96 -11.845 7.705 -7.475 1.00 0.00 O ATOM 0 H SER A 96 -11.091 5.778 -4.198 1.00 0.00 H new ATOM 0 HA SER A 96 -12.677 8.013 -4.999 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.470 7.286 -6.002 1.00 0.00 H new ATOM 0 HB3 SER A 96 -11.280 5.891 -6.684 1.00 0.00 H new ATOM 0 HG SER A 96 -11.074 8.185 -7.844 1.00 0.00 H new ATOM 1481 N PRO A 97 -14.705 7.121 -6.178 1.00 0.00 N ATOM 1482 CA PRO A 97 -16.003 6.634 -6.653 1.00 0.00 C ATOM 1483 C PRO A 97 -15.885 5.840 -7.949 1.00 0.00 C ATOM 1484 O PRO A 97 -16.397 4.725 -8.055 1.00 0.00 O ATOM 1485 CB PRO A 97 -16.802 7.919 -6.884 1.00 0.00 C ATOM 1486 CG PRO A 97 -15.772 8.965 -7.136 1.00 0.00 C ATOM 1487 CD PRO A 97 -14.581 8.583 -6.301 1.00 0.00 C ATOM 0 HA PRO A 97 -16.466 5.950 -5.942 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -17.479 7.817 -7.732 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -17.414 8.166 -6.016 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -15.510 9.008 -8.193 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -16.142 9.952 -6.859 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -13.645 8.868 -6.782 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -14.600 9.071 -5.327 1.00 0.00 H new ATOM 1495 N SER A 98 -15.208 6.421 -8.934 1.00 0.00 N ATOM 1496 CA SER A 98 -15.025 5.768 -10.226 1.00 0.00 C ATOM 1497 C SER A 98 -14.055 6.557 -11.100 1.00 0.00 C ATOM 1498 O SER A 98 -14.289 7.725 -11.410 1.00 0.00 O ATOM 1499 CB SER A 98 -16.370 5.621 -10.941 1.00 0.00 C ATOM 1500 OG SER A 98 -16.966 6.886 -11.172 1.00 0.00 O ATOM 0 H SER A 98 -14.777 7.343 -8.863 1.00 0.00 H new ATOM 0 HA SER A 98 -14.605 4.778 -10.050 1.00 0.00 H new ATOM 0 HB2 SER A 98 -16.226 5.105 -11.890 1.00 0.00 H new ATOM 0 HB3 SER A 98 -17.039 5.004 -10.341 1.00 0.00 H new ATOM 0 HG SER A 98 -16.268 7.546 -11.368 1.00 0.00 H new ATOM 1506 N LEU A 99 -12.965 5.909 -11.495 1.00 0.00 N ATOM 1507 CA LEU A 99 -11.957 6.547 -12.335 1.00 0.00 C ATOM 1508 C LEU A 99 -11.883 5.877 -13.702 1.00 0.00 C ATOM 1509 O LEU A 99 -12.503 4.838 -13.929 1.00 0.00 O ATOM 1510 CB LEU A 99 -10.589 6.494 -11.653 1.00 0.00 C ATOM 1511 CG LEU A 99 -10.333 7.550 -10.577 1.00 0.00 C ATOM 1512 CD1 LEU A 99 -9.117 7.178 -9.743 1.00 0.00 C ATOM 1513 CD2 LEU A 99 -10.150 8.922 -11.208 1.00 0.00 C ATOM 0 H LEU A 99 -12.756 4.942 -11.247 1.00 0.00 H new ATOM 0 HA LEU A 99 -12.245 7.589 -12.478 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -10.468 5.509 -11.203 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -9.820 6.591 -12.419 1.00 0.00 H new ATOM 0 HG LEU A 99 -11.201 7.588 -9.919 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -8.950 7.941 -8.983 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -9.287 6.216 -9.260 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -8.241 7.110 -10.388 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -9.969 9.660 -10.427 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -9.300 8.899 -11.889 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -11.050 9.191 -11.760 1.00 0.00 H new ATOM 1525 N GLU A 100 -11.119 6.477 -14.610 1.00 0.00 N ATOM 1526 CA GLU A 100 -10.964 5.936 -15.955 1.00 0.00 C ATOM 1527 C GLU A 100 -9.540 5.434 -16.178 1.00 0.00 C ATOM 1528 O GLU A 100 -8.572 6.091 -15.795 1.00 0.00 O ATOM 1529 CB GLU A 100 -11.311 6.999 -16.999 1.00 0.00 C ATOM 1530 CG GLU A 100 -10.424 8.231 -16.933 1.00 0.00 C ATOM 1531 CD GLU A 100 -10.873 9.325 -17.881 1.00 0.00 C ATOM 1532 OE1 GLU A 100 -12.092 9.588 -17.948 1.00 0.00 O ATOM 1533 OE2 GLU A 100 -10.007 9.918 -18.557 1.00 0.00 O ATOM 0 H GLU A 100 -10.598 7.337 -14.438 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.649 5.095 -16.062 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -11.233 6.559 -17.993 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -12.349 7.302 -16.865 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -10.421 8.617 -15.914 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -9.398 7.949 -17.170 1.00 0.00 H new ATOM 1540 N SER A 101 -9.421 4.266 -16.801 1.00 0.00 N ATOM 1541 CA SER A 101 -8.117 3.673 -17.071 1.00 0.00 C ATOM 1542 C SER A 101 -8.258 2.419 -17.930 1.00 0.00 C ATOM 1543 O SER A 101 -9.235 1.680 -17.812 1.00 0.00 O ATOM 1544 CB SER A 101 -7.407 3.330 -15.760 1.00 0.00 C ATOM 1545 OG SER A 101 -8.009 2.211 -15.132 1.00 0.00 O ATOM 0 H SER A 101 -10.212 3.712 -17.128 1.00 0.00 H new ATOM 0 HA SER A 101 -7.520 4.402 -17.618 1.00 0.00 H new ATOM 0 HB2 SER A 101 -6.356 3.119 -15.956 1.00 0.00 H new ATOM 0 HB3 SER A 101 -7.440 4.189 -15.089 1.00 0.00 H new ATOM 0 HG SER A 101 -7.536 2.011 -14.297 1.00 0.00 H new ATOM 1551 N SER A 102 -7.274 2.187 -18.793 1.00 0.00 N ATOM 1552 CA SER A 102 -7.289 1.025 -19.674 1.00 0.00 C ATOM 1553 C SER A 102 -6.392 -0.082 -19.129 1.00 0.00 C ATOM 1554 O SER A 102 -5.175 0.082 -19.030 1.00 0.00 O ATOM 1555 CB SER A 102 -6.833 1.420 -21.081 1.00 0.00 C ATOM 1556 OG SER A 102 -7.552 2.547 -21.552 1.00 0.00 O ATOM 0 H SER A 102 -6.457 2.788 -18.901 1.00 0.00 H new ATOM 0 HA SER A 102 -8.311 0.650 -19.722 1.00 0.00 H new ATOM 0 HB2 SER A 102 -5.766 1.643 -21.072 1.00 0.00 H new ATOM 0 HB3 SER A 102 -6.977 0.582 -21.762 1.00 0.00 H new ATOM 0 HG SER A 102 -7.241 2.781 -22.452 1.00 0.00 H new ATOM 1562 N SER A 103 -7.001 -1.209 -18.776 1.00 0.00 N ATOM 1563 CA SER A 103 -6.260 -2.343 -18.237 1.00 0.00 C ATOM 1564 C SER A 103 -5.467 -3.045 -19.335 1.00 0.00 C ATOM 1565 O SER A 103 -5.812 -2.962 -20.514 1.00 0.00 O ATOM 1566 CB SER A 103 -7.215 -3.333 -17.569 1.00 0.00 C ATOM 1567 OG SER A 103 -7.977 -2.702 -16.555 1.00 0.00 O ATOM 0 H SER A 103 -8.007 -1.361 -18.854 1.00 0.00 H new ATOM 0 HA SER A 103 -5.560 -1.966 -17.491 1.00 0.00 H new ATOM 0 HB2 SER A 103 -7.883 -3.760 -18.317 1.00 0.00 H new ATOM 0 HB3 SER A 103 -6.647 -4.159 -17.141 1.00 0.00 H new ATOM 0 HG SER A 103 -8.581 -3.356 -16.145 1.00 0.00 H new ATOM 1573 N GLN A 104 -4.403 -3.736 -18.939 1.00 0.00 N ATOM 1574 CA GLN A 104 -3.560 -4.452 -19.889 1.00 0.00 C ATOM 1575 C GLN A 104 -3.045 -5.755 -19.286 1.00 0.00 C ATOM 1576 O GLN A 104 -2.629 -5.793 -18.128 1.00 0.00 O ATOM 1577 CB GLN A 104 -2.384 -3.576 -20.321 1.00 0.00 C ATOM 1578 CG GLN A 104 -1.794 -3.968 -21.666 1.00 0.00 C ATOM 1579 CD GLN A 104 -0.406 -3.398 -21.884 1.00 0.00 C ATOM 1580 OE1 GLN A 104 -0.242 -2.194 -22.083 1.00 0.00 O ATOM 1581 NE2 GLN A 104 0.602 -4.262 -21.847 1.00 0.00 N ATOM 0 H GLN A 104 -4.104 -3.815 -17.967 1.00 0.00 H new ATOM 0 HA GLN A 104 -4.165 -4.692 -20.763 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -2.713 -2.538 -20.367 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -1.604 -3.630 -19.562 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -1.751 -5.055 -21.737 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -2.453 -3.623 -22.462 1.00 0.00 H new ATOM 0 HE21 GLN A 104 0.420 -5.251 -21.679 1.00 0.00 H new ATOM 0 HE22 GLN A 104 1.558 -3.936 -21.987 1.00 0.00 H new ATOM 1590 N VAL A 105 -3.076 -6.821 -20.078 1.00 0.00 N ATOM 1591 CA VAL A 105 -2.612 -8.126 -19.623 1.00 0.00 C ATOM 1592 C VAL A 105 -1.290 -8.008 -18.872 1.00 0.00 C ATOM 1593 O VAL A 105 -0.555 -7.036 -19.041 1.00 0.00 O ATOM 1594 CB VAL A 105 -2.434 -9.102 -20.801 1.00 0.00 C ATOM 1595 CG1 VAL A 105 -3.759 -9.325 -21.514 1.00 0.00 C ATOM 1596 CG2 VAL A 105 -1.380 -8.583 -21.767 1.00 0.00 C ATOM 0 H VAL A 105 -3.418 -6.807 -21.039 1.00 0.00 H new ATOM 0 HA VAL A 105 -3.376 -8.516 -18.951 1.00 0.00 H new ATOM 0 HB VAL A 105 -2.094 -10.061 -20.409 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.614 -10.017 -22.343 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.483 -9.743 -20.814 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.131 -8.374 -21.896 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.267 -9.285 -22.593 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -1.689 -7.612 -22.155 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -0.428 -8.480 -21.246 1.00 0.00 H new ATOM 1606 N GLU A 106 -0.996 -9.004 -18.042 1.00 0.00 N ATOM 1607 CA GLU A 106 0.238 -9.010 -17.264 1.00 0.00 C ATOM 1608 C GLU A 106 0.868 -10.400 -17.256 1.00 0.00 C ATOM 1609 O GLU A 106 0.357 -11.337 -16.642 1.00 0.00 O ATOM 1610 CB GLU A 106 -0.035 -8.552 -15.830 1.00 0.00 C ATOM 1611 CG GLU A 106 1.169 -7.917 -15.155 1.00 0.00 C ATOM 1612 CD GLU A 106 1.110 -8.018 -13.643 1.00 0.00 C ATOM 1613 OE1 GLU A 106 0.240 -7.359 -13.037 1.00 0.00 O ATOM 1614 OE2 GLU A 106 1.935 -8.757 -13.065 1.00 0.00 O ATOM 0 H GLU A 106 -1.594 -9.816 -17.891 1.00 0.00 H new ATOM 0 HA GLU A 106 0.937 -8.316 -17.732 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -0.857 -7.836 -15.836 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -0.362 -9.408 -15.240 1.00 0.00 H new ATOM 0 HG2 GLU A 106 2.078 -8.400 -15.513 1.00 0.00 H new ATOM 0 HG3 GLU A 106 1.231 -6.868 -15.443 1.00 0.00 H new ATOM 1621 N PRO A 107 2.005 -10.537 -17.953 1.00 0.00 N ATOM 1622 CA PRO A 107 2.730 -11.808 -18.042 1.00 0.00 C ATOM 1623 C PRO A 107 3.380 -12.199 -16.719 1.00 0.00 C ATOM 1624 O PRO A 107 4.041 -13.232 -16.622 1.00 0.00 O ATOM 1625 CB PRO A 107 3.800 -11.533 -19.102 1.00 0.00 C ATOM 1626 CG PRO A 107 4.007 -10.059 -19.057 1.00 0.00 C ATOM 1627 CD PRO A 107 2.671 -9.463 -18.709 1.00 0.00 C ATOM 0 HA PRO A 107 2.068 -12.638 -18.290 1.00 0.00 H new ATOM 0 HB2 PRO A 107 4.723 -12.069 -18.881 1.00 0.00 H new ATOM 0 HB3 PRO A 107 3.471 -11.857 -20.090 1.00 0.00 H new ATOM 0 HG2 PRO A 107 4.758 -9.793 -18.313 1.00 0.00 H new ATOM 0 HG3 PRO A 107 4.363 -9.685 -20.017 1.00 0.00 H new ATOM 0 HD2 PRO A 107 2.778 -8.558 -18.111 1.00 0.00 H new ATOM 0 HD3 PRO A 107 2.108 -9.191 -19.602 1.00 0.00 H new ATOM 1635 N GLY A 108 3.186 -11.365 -15.701 1.00 0.00 N ATOM 1636 CA GLY A 108 3.759 -11.642 -14.397 1.00 0.00 C ATOM 1637 C GLY A 108 3.535 -13.075 -13.956 1.00 0.00 C ATOM 1638 O GLY A 108 2.780 -13.816 -14.587 1.00 0.00 O ATOM 0 H GLY A 108 2.643 -10.504 -15.757 1.00 0.00 H new ATOM 0 HA2 GLY A 108 4.829 -11.437 -14.423 1.00 0.00 H new ATOM 0 HA3 GLY A 108 3.323 -10.967 -13.661 1.00 0.00 H new ATOM 1642 N THR A 109 4.194 -13.469 -12.871 1.00 0.00 N ATOM 1643 CA THR A 109 4.066 -14.823 -12.349 1.00 0.00 C ATOM 1644 C THR A 109 2.912 -14.923 -11.358 1.00 0.00 C ATOM 1645 O THR A 109 2.708 -14.030 -10.535 1.00 0.00 O ATOM 1646 CB THR A 109 5.363 -15.284 -11.657 1.00 0.00 C ATOM 1647 OG1 THR A 109 6.479 -15.094 -12.533 1.00 0.00 O ATOM 1648 CG2 THR A 109 5.271 -16.749 -11.255 1.00 0.00 C ATOM 0 H THR A 109 4.822 -12.869 -12.337 1.00 0.00 H new ATOM 0 HA THR A 109 3.867 -15.473 -13.201 1.00 0.00 H new ATOM 0 HB THR A 109 5.501 -14.685 -10.757 1.00 0.00 H new ATOM 0 HG1 THR A 109 7.300 -15.388 -12.085 1.00 0.00 H new ATOM 0 HG21 THR A 109 6.198 -17.052 -10.768 1.00 0.00 H new ATOM 0 HG22 THR A 109 4.438 -16.885 -10.565 1.00 0.00 H new ATOM 0 HG23 THR A 109 5.111 -17.361 -12.143 1.00 0.00 H new ATOM 1656 N ASP A 110 2.159 -16.015 -11.441 1.00 0.00 N ATOM 1657 CA ASP A 110 1.026 -16.233 -10.550 1.00 0.00 C ATOM 1658 C ASP A 110 1.459 -16.981 -9.293 1.00 0.00 C ATOM 1659 O ASP A 110 1.589 -18.205 -9.301 1.00 0.00 O ATOM 1660 CB ASP A 110 -0.074 -17.014 -11.270 1.00 0.00 C ATOM 1661 CG ASP A 110 0.473 -18.178 -12.073 1.00 0.00 C ATOM 1662 OD1 ASP A 110 0.605 -19.282 -11.504 1.00 0.00 O ATOM 1663 OD2 ASP A 110 0.769 -17.984 -13.271 1.00 0.00 O ATOM 0 H ASP A 110 2.313 -16.763 -12.117 1.00 0.00 H new ATOM 0 HA ASP A 110 0.635 -15.259 -10.255 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -0.790 -17.386 -10.537 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -0.618 -16.342 -11.934 1.00 0.00 H new ATOM 1668 N SER A 111 1.681 -16.236 -8.215 1.00 0.00 N ATOM 1669 CA SER A 111 2.105 -16.828 -6.951 1.00 0.00 C ATOM 1670 C SER A 111 0.945 -16.882 -5.961 1.00 0.00 C ATOM 1671 O SER A 111 0.429 -15.850 -5.535 1.00 0.00 O ATOM 1672 CB SER A 111 3.264 -16.030 -6.353 1.00 0.00 C ATOM 1673 OG SER A 111 4.497 -16.396 -6.948 1.00 0.00 O ATOM 0 H SER A 111 1.574 -15.222 -8.191 1.00 0.00 H new ATOM 0 HA SER A 111 2.439 -17.846 -7.149 1.00 0.00 H new ATOM 0 HB2 SER A 111 3.089 -14.964 -6.499 1.00 0.00 H new ATOM 0 HB3 SER A 111 3.311 -16.201 -5.278 1.00 0.00 H new ATOM 0 HG SER A 111 5.221 -15.870 -6.549 1.00 0.00 H new ATOM 1679 N GLY A 112 0.540 -18.096 -5.599 1.00 0.00 N ATOM 1680 CA GLY A 112 -0.555 -18.263 -4.662 1.00 0.00 C ATOM 1681 C GLY A 112 -0.930 -19.718 -4.463 1.00 0.00 C ATOM 1682 O GLY A 112 -0.812 -20.268 -3.367 1.00 0.00 O ATOM 0 H GLY A 112 0.951 -18.966 -5.938 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -0.277 -17.828 -3.702 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -1.424 -17.713 -5.022 1.00 0.00 H new ATOM 1686 N PRO A 113 -1.396 -20.366 -5.541 1.00 0.00 N ATOM 1687 CA PRO A 113 -1.801 -21.775 -5.504 1.00 0.00 C ATOM 1688 C PRO A 113 -0.613 -22.715 -5.331 1.00 0.00 C ATOM 1689 O PRO A 113 0.404 -22.577 -6.011 1.00 0.00 O ATOM 1690 CB PRO A 113 -2.459 -21.990 -6.869 1.00 0.00 C ATOM 1691 CG PRO A 113 -1.840 -20.964 -7.754 1.00 0.00 C ATOM 1692 CD PRO A 113 -1.564 -19.774 -6.878 1.00 0.00 C ATOM 0 HA PRO A 113 -2.457 -21.989 -4.661 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -2.276 -22.997 -7.242 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -3.540 -21.863 -6.812 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -0.921 -21.340 -8.203 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -2.510 -20.699 -8.572 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -0.669 -19.240 -7.196 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -2.387 -19.059 -6.900 1.00 0.00 H new ATOM 1700 N SER A 114 -0.748 -23.671 -4.418 1.00 0.00 N ATOM 1701 CA SER A 114 0.316 -24.632 -4.154 1.00 0.00 C ATOM 1702 C SER A 114 0.723 -25.358 -5.433 1.00 0.00 C ATOM 1703 O SER A 114 0.167 -25.110 -6.503 1.00 0.00 O ATOM 1704 CB SER A 114 -0.133 -25.646 -3.100 1.00 0.00 C ATOM 1705 OG SER A 114 -0.140 -25.067 -1.806 1.00 0.00 O ATOM 0 H SER A 114 -1.584 -23.801 -3.848 1.00 0.00 H new ATOM 0 HA SER A 114 1.180 -24.085 -3.777 1.00 0.00 H new ATOM 0 HB2 SER A 114 -1.131 -26.011 -3.344 1.00 0.00 H new ATOM 0 HB3 SER A 114 0.534 -26.508 -3.113 1.00 0.00 H new ATOM 0 HG SER A 114 -0.432 -25.734 -1.151 1.00 0.00 H new ATOM 1711 N SER A 115 1.696 -26.255 -5.313 1.00 0.00 N ATOM 1712 CA SER A 115 2.180 -27.015 -6.460 1.00 0.00 C ATOM 1713 C SER A 115 1.366 -28.291 -6.649 1.00 0.00 C ATOM 1714 O SER A 115 1.917 -29.390 -6.706 1.00 0.00 O ATOM 1715 CB SER A 115 3.659 -27.362 -6.280 1.00 0.00 C ATOM 1716 OG SER A 115 4.424 -26.204 -5.996 1.00 0.00 O ATOM 0 H SER A 115 2.165 -26.473 -4.434 1.00 0.00 H new ATOM 0 HA SER A 115 2.064 -26.396 -7.350 1.00 0.00 H new ATOM 0 HB2 SER A 115 3.771 -28.083 -5.470 1.00 0.00 H new ATOM 0 HB3 SER A 115 4.037 -27.838 -7.185 1.00 0.00 H new ATOM 0 HG SER A 115 5.365 -26.453 -5.884 1.00 0.00 H new ATOM 1722 N GLY A 116 0.049 -28.137 -6.745 1.00 0.00 N ATOM 1723 CA GLY A 116 -0.821 -29.284 -6.926 1.00 0.00 C ATOM 1724 C GLY A 116 -2.132 -28.918 -7.593 1.00 0.00 C ATOM 1725 O GLY A 116 -3.183 -29.459 -7.251 1.00 0.00 O ATOM 0 H GLY A 116 -0.431 -27.238 -6.701 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -0.308 -30.034 -7.528 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -1.025 -29.738 -5.956 1.00 0.00 H new TER 1729 GLY A 116