USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 993 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 23 THR OG1 : rot 86:sc= 1.91 USER MOD Set 1.2: A 89 TYR OH : rot 39:sc= 0.634 USER MOD Set 2.1: A 10 THR OG1 : rot 180:sc= 1.08 USER MOD Set 2.2: A 15 THR OG1 : rot 165:sc= 1.16 USER MOD Single : A 1 LYS N :NH3+ -171:sc= 0 (180deg=-0.0592) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 6 LYS NZ :NH3+ 159:sc= -0.138 (180deg=-0.759) USER MOD Single : A 8 ASN : amide:sc= -0.519 K(o=-0.52,f=-4.7!) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -165:sc= -0.0537 (180deg=-0.299) USER MOD Single : A 19 SER OG : rot 71:sc= 1.18 USER MOD Single : A 24 LYS NZ :NH3+ -130:sc= 0.305 (180deg=-0.596) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0.958 USER MOD Single : A 32 GLN : amide:sc= -2.06 K(o=-2.1,f=-3.7!) USER MOD Single : A 34 SER OG : rot 71:sc= 1.21 USER MOD Single : A 37 THR OG1 : rot 75:sc= 1.1 USER MOD Single : A 41 THR OG1 : rot 83:sc= 1.31 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0.126 K(o=0.13,f=-3.6!) USER MOD Single : A 50 LYS NZ :NH3+ 150:sc= 1.26 (180deg=0.167) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0825 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -166:sc= 1.3 (180deg=1.08) USER MOD Single : A 69 LYS NZ :NH3+ -164:sc= -0.0713 (180deg=-0.32) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl -175:sc= -1.76 (180deg=-1.95) USER MOD Single : A 80 LYS NZ :NH3+ 179:sc= 0.615 (180deg=0.615) USER MOD Single : A 81 GLN : amide:sc= 0.312 X(o=0.31,f=-0.044) USER MOD Single : A 82 TYR OH : rot -30:sc= 0.257 USER MOD Single : A 84 THR OG1 : rot 87:sc= 1.24 USER MOD Single : A 87 MET CE :methyl 149:sc= -0.298 (180deg=-2) USER MOD Single : A 92 GLN : amide:sc= -1.17 K(o=-1.2,f=0) USER MOD Single : A 93 GLN : amide:sc= -1.31 K(o=-1.3,f=-4.7!) USER MOD Single : A 94 LYS NZ :NH3+ -165:sc= -0.134 (180deg=-0.54) USER MOD Single : A 95 MET CE :methyl 177:sc= -3.99! (180deg=-4.08!) USER MOD Single : A 99 ASN : amide:sc= -2.39 K(o=-2.4,f=-3.2!) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 110 LYS NZ :NH3+ 174:sc= 1.05 (180deg=1) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 HIS : no HD1:sc= -0.0537 X(o=-0.054,f=0) USER MOD Single : A 117 HIS : no HD1:sc= 1.05 K(o=1.1,f=-4.2!) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -32.352 19.008 -10.714 1.00 0.00 N ATOM 2 CA LYS A 1 -31.283 19.532 -9.830 1.00 0.00 C ATOM 3 C LYS A 1 -30.206 18.480 -9.599 1.00 0.00 C ATOM 4 O LYS A 1 -29.030 18.707 -9.876 1.00 0.00 O ATOM 5 CB LYS A 1 -31.860 19.969 -8.480 1.00 0.00 C ATOM 6 CG LYS A 1 -32.750 21.200 -8.551 1.00 0.00 C ATOM 7 CD LYS A 1 -33.399 21.487 -7.205 1.00 0.00 C ATOM 8 CE LYS A 1 -34.232 22.760 -7.240 1.00 0.00 C ATOM 9 NZ LYS A 1 -34.945 22.986 -5.956 1.00 0.00 N ATOM 0 H1 LYS A 1 -32.993 19.783 -10.981 1.00 0.00 H new ATOM 0 H2 LYS A 1 -31.926 18.601 -11.571 1.00 0.00 H new ATOM 0 H3 LYS A 1 -32.889 18.273 -10.211 1.00 0.00 H new ATOM 0 HA LYS A 1 -30.839 20.395 -10.327 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -32.434 19.144 -8.059 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -31.037 20.169 -7.793 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -32.160 22.061 -8.864 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -33.522 21.051 -9.306 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -34.031 20.646 -6.920 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -32.627 21.579 -6.441 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -33.586 23.612 -7.452 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -34.956 22.699 -8.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -35.502 23.862 -6.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -35.580 22.185 -5.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -34.253 23.069 -5.184 1.00 0.00 H new ATOM 25 N SER A 2 -30.618 17.326 -9.096 1.00 0.00 N ATOM 26 CA SER A 2 -29.685 16.279 -8.715 1.00 0.00 C ATOM 27 C SER A 2 -29.441 15.310 -9.868 1.00 0.00 C ATOM 28 O SER A 2 -30.369 14.665 -10.358 1.00 0.00 O ATOM 29 CB SER A 2 -30.233 15.524 -7.504 1.00 0.00 C ATOM 30 OG SER A 2 -30.592 16.428 -6.472 1.00 0.00 O ATOM 0 H SER A 2 -31.599 17.091 -8.942 1.00 0.00 H new ATOM 0 HA SER A 2 -28.732 16.742 -8.459 1.00 0.00 H new ATOM 0 HB2 SER A 2 -31.102 14.936 -7.798 1.00 0.00 H new ATOM 0 HB3 SER A 2 -29.484 14.823 -7.136 1.00 0.00 H new ATOM 0 HG SER A 2 -30.942 15.927 -5.706 1.00 0.00 H new ATOM 36 N VAL A 3 -28.193 15.222 -10.304 1.00 0.00 N ATOM 37 CA VAL A 3 -27.809 14.262 -11.327 1.00 0.00 C ATOM 38 C VAL A 3 -26.950 13.160 -10.716 1.00 0.00 C ATOM 39 O VAL A 3 -26.277 13.376 -9.705 1.00 0.00 O ATOM 40 CB VAL A 3 -27.051 14.927 -12.499 1.00 0.00 C ATOM 41 CG1 VAL A 3 -27.947 15.921 -13.221 1.00 0.00 C ATOM 42 CG2 VAL A 3 -25.781 15.611 -12.013 1.00 0.00 C ATOM 0 H VAL A 3 -27.428 15.805 -9.964 1.00 0.00 H new ATOM 0 HA VAL A 3 -28.727 13.835 -11.729 1.00 0.00 H new ATOM 0 HB VAL A 3 -26.765 14.143 -13.201 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -27.395 16.378 -14.042 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -28.821 15.403 -13.615 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -28.267 16.695 -12.524 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -25.269 16.070 -12.859 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -26.038 16.379 -11.284 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -25.126 14.874 -11.548 1.00 0.00 H new ATOM 52 N GLN A 4 -26.991 11.979 -11.312 1.00 0.00 N ATOM 53 CA GLN A 4 -26.272 10.834 -10.776 1.00 0.00 C ATOM 54 C GLN A 4 -25.155 10.388 -11.712 1.00 0.00 C ATOM 55 O GLN A 4 -25.341 10.305 -12.931 1.00 0.00 O ATOM 56 CB GLN A 4 -27.234 9.672 -10.533 1.00 0.00 C ATOM 57 CG GLN A 4 -28.400 10.024 -9.626 1.00 0.00 C ATOM 58 CD GLN A 4 -29.303 8.839 -9.347 1.00 0.00 C ATOM 59 OE1 GLN A 4 -29.434 7.930 -10.167 1.00 0.00 O ATOM 60 NE2 GLN A 4 -29.931 8.841 -8.183 1.00 0.00 N ATOM 0 H GLN A 4 -27.514 11.788 -12.167 1.00 0.00 H new ATOM 0 HA GLN A 4 -25.823 11.139 -9.831 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -27.622 9.327 -11.491 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -26.682 8.841 -10.094 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -28.017 10.413 -8.683 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -28.985 10.821 -10.086 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -29.795 9.614 -7.531 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -30.551 8.070 -7.937 1.00 0.00 H new ATOM 69 N GLU A 5 -23.997 10.107 -11.128 1.00 0.00 N ATOM 70 CA GLU A 5 -22.869 9.575 -11.874 1.00 0.00 C ATOM 71 C GLU A 5 -23.092 8.092 -12.155 1.00 0.00 C ATOM 72 O GLU A 5 -23.623 7.362 -11.314 1.00 0.00 O ATOM 73 CB GLU A 5 -21.563 9.789 -11.097 1.00 0.00 C ATOM 74 CG GLU A 5 -20.328 9.244 -11.802 1.00 0.00 C ATOM 75 CD GLU A 5 -20.118 9.841 -13.179 1.00 0.00 C ATOM 76 OE1 GLU A 5 -20.770 9.371 -14.140 1.00 0.00 O ATOM 77 OE2 GLU A 5 -19.292 10.766 -13.313 1.00 0.00 O ATOM 0 H GLU A 5 -23.816 10.241 -10.133 1.00 0.00 H new ATOM 0 HA GLU A 5 -22.788 10.105 -12.823 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -21.427 10.856 -10.921 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -21.651 9.313 -10.120 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -19.449 9.443 -11.188 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -20.416 8.161 -11.891 1.00 0.00 H new ATOM 84 N LYS A 6 -22.683 7.659 -13.335 1.00 0.00 N ATOM 85 CA LYS A 6 -22.929 6.297 -13.787 1.00 0.00 C ATOM 86 C LYS A 6 -21.643 5.480 -13.761 1.00 0.00 C ATOM 87 O LYS A 6 -21.653 4.270 -13.991 1.00 0.00 O ATOM 88 CB LYS A 6 -23.520 6.334 -15.196 1.00 0.00 C ATOM 89 CG LYS A 6 -24.761 7.204 -15.281 1.00 0.00 C ATOM 90 CD LYS A 6 -25.120 7.544 -16.715 1.00 0.00 C ATOM 91 CE LYS A 6 -26.185 8.627 -16.771 1.00 0.00 C ATOM 92 NZ LYS A 6 -25.740 9.878 -16.094 1.00 0.00 N ATOM 0 H LYS A 6 -22.174 8.236 -14.005 1.00 0.00 H new ATOM 0 HA LYS A 6 -23.639 5.817 -13.113 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -22.769 6.708 -15.892 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -23.768 5.320 -15.509 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -25.598 6.688 -14.810 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -24.598 8.124 -14.720 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -24.229 7.878 -17.247 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -25.479 6.650 -17.225 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -26.428 8.844 -17.811 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -27.098 8.264 -16.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -26.303 10.680 -16.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -25.872 9.783 -15.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -24.734 10.045 -16.300 1.00 0.00 H new ATOM 106 N ARG A 7 -20.538 6.150 -13.476 1.00 0.00 N ATOM 107 CA ARG A 7 -19.251 5.485 -13.352 1.00 0.00 C ATOM 108 C ARG A 7 -18.782 5.578 -11.904 1.00 0.00 C ATOM 109 O ARG A 7 -18.184 6.572 -11.492 1.00 0.00 O ATOM 110 CB ARG A 7 -18.233 6.128 -14.293 1.00 0.00 C ATOM 111 CG ARG A 7 -17.093 5.211 -14.702 1.00 0.00 C ATOM 112 CD ARG A 7 -16.170 5.907 -15.684 1.00 0.00 C ATOM 113 NE ARG A 7 -15.234 4.990 -16.331 1.00 0.00 N ATOM 114 CZ ARG A 7 -14.390 5.364 -17.291 1.00 0.00 C ATOM 115 NH1 ARG A 7 -14.360 6.629 -17.690 1.00 0.00 N ATOM 116 NH2 ARG A 7 -13.583 4.482 -17.861 1.00 0.00 N ATOM 0 H ARG A 7 -20.507 7.158 -13.326 1.00 0.00 H new ATOM 0 HA ARG A 7 -19.350 4.436 -13.630 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -18.750 6.468 -15.190 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -17.817 7.012 -13.810 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -16.530 4.907 -13.820 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -17.494 4.303 -15.153 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -16.768 6.406 -16.447 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -15.609 6.682 -15.161 1.00 0.00 H new ATOM 0 HE ARG A 7 -15.227 4.015 -16.032 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -14.983 7.314 -17.262 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -13.714 6.917 -18.425 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -13.604 3.506 -17.566 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -12.940 4.779 -18.595 1.00 0.00 H new ATOM 130 N ASN A 8 -19.081 4.547 -11.128 1.00 0.00 N ATOM 131 CA ASN A 8 -18.879 4.591 -9.684 1.00 0.00 C ATOM 132 C ASN A 8 -17.445 4.252 -9.292 1.00 0.00 C ATOM 133 O ASN A 8 -16.931 3.188 -9.630 1.00 0.00 O ATOM 134 CB ASN A 8 -19.845 3.627 -8.985 1.00 0.00 C ATOM 135 CG ASN A 8 -19.709 3.654 -7.472 1.00 0.00 C ATOM 136 OD1 ASN A 8 -18.895 2.933 -6.895 1.00 0.00 O ATOM 137 ND2 ASN A 8 -20.517 4.475 -6.816 1.00 0.00 N ATOM 0 H ASN A 8 -19.465 3.667 -11.473 1.00 0.00 H new ATOM 0 HA ASN A 8 -19.079 5.613 -9.363 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -20.869 3.883 -9.258 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -19.664 2.614 -9.344 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -20.477 4.524 -5.798 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -21.179 5.057 -7.329 1.00 0.00 H new ATOM 144 N ASN A 9 -16.809 5.177 -8.589 1.00 0.00 N ATOM 145 CA ASN A 9 -15.511 4.926 -7.981 1.00 0.00 C ATOM 146 C ASN A 9 -15.600 5.175 -6.481 1.00 0.00 C ATOM 147 O ASN A 9 -15.612 6.322 -6.029 1.00 0.00 O ATOM 148 CB ASN A 9 -14.418 5.807 -8.598 1.00 0.00 C ATOM 149 CG ASN A 9 -14.030 5.374 -10.003 1.00 0.00 C ATOM 150 OD1 ASN A 9 -13.142 4.536 -10.185 1.00 0.00 O ATOM 151 ND2 ASN A 9 -14.675 5.950 -11.008 1.00 0.00 N ATOM 0 H ASN A 9 -17.174 6.115 -8.425 1.00 0.00 H new ATOM 0 HA ASN A 9 -15.240 3.887 -8.169 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -14.764 6.840 -8.624 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -13.535 5.782 -7.959 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -14.443 5.705 -11.970 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -15.403 6.638 -10.819 1.00 0.00 H new ATOM 158 N THR A 10 -15.700 4.096 -5.719 1.00 0.00 N ATOM 159 CA THR A 10 -15.857 4.186 -4.275 1.00 0.00 C ATOM 160 C THR A 10 -14.557 4.593 -3.587 1.00 0.00 C ATOM 161 O THR A 10 -13.470 4.177 -3.992 1.00 0.00 O ATOM 162 CB THR A 10 -16.341 2.844 -3.698 1.00 0.00 C ATOM 163 OG1 THR A 10 -15.837 1.761 -4.499 1.00 0.00 O ATOM 164 CG2 THR A 10 -17.861 2.792 -3.645 1.00 0.00 C ATOM 0 H THR A 10 -15.675 3.142 -6.080 1.00 0.00 H new ATOM 0 HA THR A 10 -16.603 4.957 -4.083 1.00 0.00 H new ATOM 0 HB THR A 10 -15.962 2.748 -2.680 1.00 0.00 H new ATOM 0 HG1 THR A 10 -16.146 0.908 -4.128 1.00 0.00 H new ATOM 0 HG21 THR A 10 -18.178 1.834 -3.234 1.00 0.00 H new ATOM 0 HG22 THR A 10 -18.231 3.599 -3.012 1.00 0.00 H new ATOM 0 HG23 THR A 10 -18.264 2.906 -4.651 1.00 0.00 H new ATOM 172 N ARG A 11 -14.679 5.400 -2.539 1.00 0.00 N ATOM 173 CA ARG A 11 -13.525 5.841 -1.771 1.00 0.00 C ATOM 174 C ARG A 11 -13.137 4.804 -0.720 1.00 0.00 C ATOM 175 O ARG A 11 -13.214 5.050 0.483 1.00 0.00 O ATOM 176 CB ARG A 11 -13.790 7.200 -1.120 1.00 0.00 C ATOM 177 CG ARG A 11 -13.523 8.371 -2.049 1.00 0.00 C ATOM 178 CD ARG A 11 -13.818 9.697 -1.372 1.00 0.00 C ATOM 179 NE ARG A 11 -13.254 10.829 -2.106 1.00 0.00 N ATOM 180 CZ ARG A 11 -13.969 11.663 -2.856 1.00 0.00 C ATOM 181 NH1 ARG A 11 -15.266 11.451 -3.050 1.00 0.00 N ATOM 182 NH2 ARG A 11 -13.375 12.696 -3.442 1.00 0.00 N ATOM 0 H ARG A 11 -15.571 5.763 -2.202 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.688 5.952 -2.460 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -14.827 7.239 -0.785 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -13.165 7.299 -0.233 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.482 8.350 -2.373 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -14.137 8.274 -2.944 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -14.897 9.825 -1.282 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -13.413 9.684 -0.360 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.249 10.989 -2.039 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -15.720 10.644 -2.622 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -15.807 12.095 -3.626 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.374 12.847 -3.316 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.920 13.338 -4.018 1.00 0.00 H new ATOM 196 N ALA A 12 -12.758 3.636 -1.203 1.00 0.00 N ATOM 197 CA ALA A 12 -12.226 2.571 -0.369 1.00 0.00 C ATOM 198 C ALA A 12 -10.811 2.269 -0.816 1.00 0.00 C ATOM 199 O ALA A 12 -10.466 2.514 -1.973 1.00 0.00 O ATOM 200 CB ALA A 12 -13.092 1.326 -0.474 1.00 0.00 C ATOM 0 H ALA A 12 -12.810 3.396 -2.193 1.00 0.00 H new ATOM 0 HA ALA A 12 -12.225 2.889 0.674 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -12.677 0.540 0.157 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -14.105 1.559 -0.146 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -13.115 0.985 -1.509 1.00 0.00 H new ATOM 206 N PHE A 13 -10.003 1.724 0.081 1.00 0.00 N ATOM 207 CA PHE A 13 -8.598 1.469 -0.212 1.00 0.00 C ATOM 208 C PHE A 13 -8.459 0.597 -1.458 1.00 0.00 C ATOM 209 O PHE A 13 -7.492 0.715 -2.208 1.00 0.00 O ATOM 210 CB PHE A 13 -7.922 0.792 0.984 1.00 0.00 C ATOM 211 CG PHE A 13 -6.426 0.735 0.877 1.00 0.00 C ATOM 212 CD1 PHE A 13 -5.651 1.794 1.322 1.00 0.00 C ATOM 213 CD2 PHE A 13 -5.793 -0.375 0.338 1.00 0.00 C ATOM 214 CE1 PHE A 13 -4.274 1.752 1.226 1.00 0.00 C ATOM 215 CE2 PHE A 13 -4.416 -0.422 0.238 1.00 0.00 C ATOM 216 CZ PHE A 13 -3.655 0.641 0.686 1.00 0.00 C ATOM 0 H PHE A 13 -10.295 1.449 1.019 1.00 0.00 H new ATOM 0 HA PHE A 13 -8.107 2.423 -0.401 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.192 1.327 1.894 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -8.309 -0.222 1.083 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -6.130 2.663 1.749 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.383 -1.211 -0.007 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.682 2.586 1.572 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.935 -1.289 -0.190 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.578 0.603 0.614 1.00 0.00 H new ATOM 226 N LYS A 14 -9.452 -0.251 -1.685 1.00 0.00 N ATOM 227 CA LYS A 14 -9.430 -1.187 -2.797 1.00 0.00 C ATOM 228 C LYS A 14 -9.589 -0.466 -4.134 1.00 0.00 C ATOM 229 O LYS A 14 -8.729 -0.573 -5.005 1.00 0.00 O ATOM 230 CB LYS A 14 -10.539 -2.220 -2.627 1.00 0.00 C ATOM 231 CG LYS A 14 -10.619 -2.796 -1.224 1.00 0.00 C ATOM 232 CD LYS A 14 -11.603 -3.952 -1.155 1.00 0.00 C ATOM 233 CE LYS A 14 -11.247 -5.039 -2.158 1.00 0.00 C ATOM 234 NZ LYS A 14 -12.194 -6.182 -2.109 1.00 0.00 N ATOM 0 H LYS A 14 -10.290 -0.309 -1.107 1.00 0.00 H new ATOM 0 HA LYS A 14 -8.462 -1.689 -2.798 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.495 -1.760 -2.878 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -10.380 -3.032 -3.336 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.632 -3.137 -0.912 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.922 -2.016 -0.525 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.607 -4.370 -0.148 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -12.611 -3.587 -1.353 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.243 -4.616 -3.163 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.237 -5.398 -1.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.911 -6.897 -2.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -12.180 -6.604 -1.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -13.154 -5.847 -2.325 1.00 0.00 H new ATOM 248 N THR A 15 -10.687 0.274 -4.289 1.00 0.00 N ATOM 249 CA THR A 15 -10.959 0.997 -5.529 1.00 0.00 C ATOM 250 C THR A 15 -9.876 2.042 -5.806 1.00 0.00 C ATOM 251 O THR A 15 -9.546 2.329 -6.958 1.00 0.00 O ATOM 252 CB THR A 15 -12.344 1.683 -5.490 1.00 0.00 C ATOM 253 OG1 THR A 15 -13.365 0.713 -5.214 1.00 0.00 O ATOM 254 CG2 THR A 15 -12.655 2.374 -6.811 1.00 0.00 C ATOM 0 H THR A 15 -11.402 0.388 -3.570 1.00 0.00 H new ATOM 0 HA THR A 15 -10.957 0.263 -6.335 1.00 0.00 H new ATOM 0 HB THR A 15 -12.322 2.434 -4.700 1.00 0.00 H new ATOM 0 HG1 THR A 15 -14.191 1.172 -4.955 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.635 2.847 -6.752 1.00 0.00 H new ATOM 0 HG22 THR A 15 -11.898 3.132 -7.012 1.00 0.00 H new ATOM 0 HG23 THR A 15 -12.655 1.638 -7.615 1.00 0.00 H new ATOM 262 N VAL A 16 -9.313 2.595 -4.745 1.00 0.00 N ATOM 263 CA VAL A 16 -8.258 3.586 -4.874 1.00 0.00 C ATOM 264 C VAL A 16 -6.945 2.941 -5.301 1.00 0.00 C ATOM 265 O VAL A 16 -6.270 3.446 -6.192 1.00 0.00 O ATOM 266 CB VAL A 16 -8.075 4.370 -3.566 1.00 0.00 C ATOM 267 CG1 VAL A 16 -6.909 5.345 -3.664 1.00 0.00 C ATOM 268 CG2 VAL A 16 -9.367 5.099 -3.250 1.00 0.00 C ATOM 0 H VAL A 16 -9.569 2.374 -3.783 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.558 4.287 -5.652 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.841 3.675 -2.760 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.806 5.884 -2.723 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.991 4.795 -3.870 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.095 6.055 -4.470 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.251 5.660 -2.323 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.605 5.786 -4.062 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.175 4.376 -3.138 1.00 0.00 H new ATOM 278 N ALA A 17 -6.594 1.819 -4.680 1.00 0.00 N ATOM 279 CA ALA A 17 -5.428 1.049 -5.107 1.00 0.00 C ATOM 280 C ALA A 17 -5.616 0.574 -6.544 1.00 0.00 C ATOM 281 O ALA A 17 -4.677 0.559 -7.337 1.00 0.00 O ATOM 282 CB ALA A 17 -5.198 -0.134 -4.180 1.00 0.00 C ATOM 0 H ALA A 17 -7.096 1.424 -3.885 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.549 1.691 -5.061 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.325 -0.695 -4.515 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.030 0.226 -3.165 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.074 -0.783 -4.194 1.00 0.00 H new ATOM 288 N LYS A 18 -6.849 0.192 -6.856 1.00 0.00 N ATOM 289 CA LYS A 18 -7.256 -0.166 -8.211 1.00 0.00 C ATOM 290 C LYS A 18 -6.942 0.975 -9.179 1.00 0.00 C ATOM 291 O LYS A 18 -6.362 0.763 -10.245 1.00 0.00 O ATOM 292 CB LYS A 18 -8.758 -0.471 -8.203 1.00 0.00 C ATOM 293 CG LYS A 18 -9.401 -0.630 -9.572 1.00 0.00 C ATOM 294 CD LYS A 18 -10.914 -0.718 -9.434 1.00 0.00 C ATOM 295 CE LYS A 18 -11.620 -0.769 -10.779 1.00 0.00 C ATOM 296 NZ LYS A 18 -11.283 0.399 -11.634 1.00 0.00 N ATOM 0 H LYS A 18 -7.601 0.121 -6.171 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.706 -1.046 -8.545 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -8.922 -1.387 -7.635 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.271 0.330 -7.671 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.135 0.215 -10.207 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -9.020 -1.528 -10.059 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.172 -1.607 -8.858 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.275 0.143 -8.871 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -11.345 -1.688 -11.297 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -12.698 -0.802 -10.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.963 0.462 -12.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.327 1.269 -11.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.323 0.284 -12.016 1.00 0.00 H new ATOM 310 N SER A 19 -7.313 2.188 -8.788 1.00 0.00 N ATOM 311 CA SER A 19 -7.044 3.369 -9.595 1.00 0.00 C ATOM 312 C SER A 19 -5.547 3.663 -9.632 1.00 0.00 C ATOM 313 O SER A 19 -4.992 3.980 -10.681 1.00 0.00 O ATOM 314 CB SER A 19 -7.803 4.569 -9.029 1.00 0.00 C ATOM 315 OG SER A 19 -9.181 4.269 -8.868 1.00 0.00 O ATOM 0 H SER A 19 -7.803 2.379 -7.914 1.00 0.00 H new ATOM 0 HA SER A 19 -7.383 3.181 -10.614 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.375 4.855 -8.068 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.689 5.424 -9.696 1.00 0.00 H new ATOM 0 HG SER A 19 -9.293 3.634 -8.130 1.00 0.00 H new ATOM 321 N TRP A 20 -4.908 3.536 -8.477 1.00 0.00 N ATOM 322 CA TRP A 20 -3.474 3.769 -8.328 1.00 0.00 C ATOM 323 C TRP A 20 -2.678 2.860 -9.257 1.00 0.00 C ATOM 324 O TRP A 20 -1.756 3.311 -9.937 1.00 0.00 O ATOM 325 CB TRP A 20 -3.077 3.525 -6.866 1.00 0.00 C ATOM 326 CG TRP A 20 -1.631 3.768 -6.561 1.00 0.00 C ATOM 327 CD1 TRP A 20 -1.031 4.972 -6.331 1.00 0.00 C ATOM 328 CD2 TRP A 20 -0.605 2.778 -6.424 1.00 0.00 C ATOM 329 NE1 TRP A 20 0.305 4.793 -6.068 1.00 0.00 N ATOM 330 CE2 TRP A 20 0.589 3.453 -6.116 1.00 0.00 C ATOM 331 CE3 TRP A 20 -0.583 1.384 -6.532 1.00 0.00 C ATOM 332 CZ2 TRP A 20 1.794 2.781 -5.915 1.00 0.00 C ATOM 333 CZ3 TRP A 20 0.611 0.720 -6.331 1.00 0.00 C ATOM 334 CH2 TRP A 20 1.785 1.419 -6.026 1.00 0.00 C ATOM 0 H TRP A 20 -5.372 3.266 -7.609 1.00 0.00 H new ATOM 0 HA TRP A 20 -3.248 4.800 -8.600 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -3.682 4.168 -6.227 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.321 2.495 -6.604 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -1.534 5.927 -6.353 1.00 0.00 H new ATOM 0 HE1 TRP A 20 0.976 5.535 -5.870 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -1.483 0.837 -6.768 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 2.701 3.317 -5.680 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 0.640 -0.357 -6.410 1.00 0.00 H new ATOM 0 HH2 TRP A 20 2.703 0.870 -5.875 1.00 0.00 H new ATOM 345 N PHE A 21 -3.054 1.587 -9.289 1.00 0.00 N ATOM 346 CA PHE A 21 -2.420 0.605 -10.160 1.00 0.00 C ATOM 347 C PHE A 21 -2.569 1.016 -11.623 1.00 0.00 C ATOM 348 O PHE A 21 -1.622 0.936 -12.403 1.00 0.00 O ATOM 349 CB PHE A 21 -3.050 -0.772 -9.922 1.00 0.00 C ATOM 350 CG PHE A 21 -2.426 -1.886 -10.717 1.00 0.00 C ATOM 351 CD1 PHE A 21 -1.200 -2.417 -10.347 1.00 0.00 C ATOM 352 CD2 PHE A 21 -3.068 -2.404 -11.830 1.00 0.00 C ATOM 353 CE1 PHE A 21 -0.627 -3.442 -11.076 1.00 0.00 C ATOM 354 CE2 PHE A 21 -2.500 -3.430 -12.562 1.00 0.00 C ATOM 355 CZ PHE A 21 -1.279 -3.950 -12.182 1.00 0.00 C ATOM 0 H PHE A 21 -3.805 1.207 -8.713 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.356 0.555 -9.928 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.977 -1.013 -8.862 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.111 -0.719 -10.164 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -0.688 -2.026 -9.481 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.024 -2.001 -12.130 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.330 -3.845 -10.781 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.010 -3.824 -13.429 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.834 -4.754 -12.750 1.00 0.00 H new ATOM 365 N ALA A 22 -3.756 1.492 -11.975 1.00 0.00 N ATOM 366 CA ALA A 22 -4.039 1.921 -13.341 1.00 0.00 C ATOM 367 C ALA A 22 -3.468 3.312 -13.622 1.00 0.00 C ATOM 368 O ALA A 22 -3.717 3.894 -14.677 1.00 0.00 O ATOM 369 CB ALA A 22 -5.536 1.905 -13.593 1.00 0.00 C ATOM 0 H ALA A 22 -4.542 1.592 -11.332 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.554 1.220 -14.020 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.736 2.227 -14.615 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.918 0.894 -13.449 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.030 2.582 -12.896 1.00 0.00 H new ATOM 375 N THR A 23 -2.718 3.846 -12.670 1.00 0.00 N ATOM 376 CA THR A 23 -2.074 5.140 -12.837 1.00 0.00 C ATOM 377 C THR A 23 -0.566 5.009 -12.591 1.00 0.00 C ATOM 378 O THR A 23 0.166 5.997 -12.540 1.00 0.00 O ATOM 379 CB THR A 23 -2.678 6.184 -11.866 1.00 0.00 C ATOM 380 OG1 THR A 23 -4.110 6.089 -11.873 1.00 0.00 O ATOM 381 CG2 THR A 23 -2.281 7.600 -12.254 1.00 0.00 C ATOM 0 H THR A 23 -2.540 3.401 -11.770 1.00 0.00 H new ATOM 0 HA THR A 23 -2.245 5.480 -13.858 1.00 0.00 H new ATOM 0 HB THR A 23 -2.289 5.970 -10.871 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.396 5.406 -11.230 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.722 8.307 -11.551 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.195 7.693 -12.229 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.641 7.816 -13.260 1.00 0.00 H new ATOM 389 N LYS A 24 -0.102 3.775 -12.441 1.00 0.00 N ATOM 390 CA LYS A 24 1.302 3.526 -12.163 1.00 0.00 C ATOM 391 C LYS A 24 2.061 3.084 -13.403 1.00 0.00 C ATOM 392 O LYS A 24 1.893 1.970 -13.889 1.00 0.00 O ATOM 393 CB LYS A 24 1.458 2.497 -11.045 1.00 0.00 C ATOM 394 CG LYS A 24 1.671 3.142 -9.690 1.00 0.00 C ATOM 395 CD LYS A 24 2.970 3.935 -9.668 1.00 0.00 C ATOM 396 CE LYS A 24 3.025 4.891 -8.491 1.00 0.00 C ATOM 397 NZ LYS A 24 1.946 5.913 -8.561 1.00 0.00 N ATOM 0 H LYS A 24 -0.677 2.935 -12.507 1.00 0.00 H new ATOM 0 HA LYS A 24 1.736 4.470 -11.835 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.569 1.867 -11.009 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.302 1.845 -11.270 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.834 3.801 -9.460 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.695 2.374 -8.916 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.815 3.248 -9.618 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.070 4.496 -10.597 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.934 4.329 -7.561 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.995 5.387 -8.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.356 6.860 -8.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.481 5.863 -9.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.246 5.731 -7.813 1.00 0.00 H new ATOM 411 N THR A 25 2.885 3.988 -13.907 1.00 0.00 N ATOM 412 CA THR A 25 3.773 3.702 -15.021 1.00 0.00 C ATOM 413 C THR A 25 5.228 3.778 -14.560 1.00 0.00 C ATOM 414 O THR A 25 6.159 3.803 -15.367 1.00 0.00 O ATOM 415 CB THR A 25 3.535 4.708 -16.164 1.00 0.00 C ATOM 416 OG1 THR A 25 3.438 6.033 -15.623 1.00 0.00 O ATOM 417 CG2 THR A 25 2.263 4.373 -16.932 1.00 0.00 C ATOM 0 H THR A 25 2.957 4.942 -13.554 1.00 0.00 H new ATOM 0 HA THR A 25 3.564 2.696 -15.386 1.00 0.00 H new ATOM 0 HB THR A 25 4.376 4.651 -16.855 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.288 6.673 -16.350 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.120 5.099 -17.733 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.348 3.374 -17.359 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.410 4.406 -16.255 1.00 0.00 H new ATOM 425 N THR A 26 5.407 3.798 -13.244 1.00 0.00 N ATOM 426 CA THR A 26 6.716 3.979 -12.639 1.00 0.00 C ATOM 427 C THR A 26 7.535 2.688 -12.670 1.00 0.00 C ATOM 428 O THR A 26 8.767 2.722 -12.621 1.00 0.00 O ATOM 429 CB THR A 26 6.567 4.448 -11.177 1.00 0.00 C ATOM 430 OG1 THR A 26 5.557 5.465 -11.098 1.00 0.00 O ATOM 431 CG2 THR A 26 7.881 4.997 -10.637 1.00 0.00 C ATOM 0 H THR A 26 4.649 3.689 -12.570 1.00 0.00 H new ATOM 0 HA THR A 26 7.242 4.736 -13.221 1.00 0.00 H new ATOM 0 HB THR A 26 6.279 3.588 -10.572 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.462 5.761 -10.168 1.00 0.00 H new ATOM 0 HG21 THR A 26 7.744 5.319 -9.605 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.644 4.219 -10.676 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.197 5.846 -11.243 1.00 0.00 H new ATOM 439 N TRP A 27 6.857 1.554 -12.759 1.00 0.00 N ATOM 440 CA TRP A 27 7.537 0.269 -12.721 1.00 0.00 C ATOM 441 C TRP A 27 7.213 -0.566 -13.951 1.00 0.00 C ATOM 442 O TRP A 27 6.340 -0.209 -14.746 1.00 0.00 O ATOM 443 CB TRP A 27 7.169 -0.501 -11.452 1.00 0.00 C ATOM 444 CG TRP A 27 7.743 0.096 -10.202 1.00 0.00 C ATOM 445 CD1 TRP A 27 9.042 0.457 -9.992 1.00 0.00 C ATOM 446 CD2 TRP A 27 7.047 0.376 -8.981 1.00 0.00 C ATOM 447 NE1 TRP A 27 9.194 0.955 -8.721 1.00 0.00 N ATOM 448 CE2 TRP A 27 7.985 0.914 -8.080 1.00 0.00 C ATOM 449 CE3 TRP A 27 5.722 0.231 -8.561 1.00 0.00 C ATOM 450 CZ2 TRP A 27 7.642 1.304 -6.788 1.00 0.00 C ATOM 451 CZ3 TRP A 27 5.382 0.615 -7.278 1.00 0.00 C ATOM 452 CH2 TRP A 27 6.339 1.148 -6.404 1.00 0.00 C ATOM 0 H TRP A 27 5.843 1.497 -12.857 1.00 0.00 H new ATOM 0 HA TRP A 27 8.609 0.465 -12.716 1.00 0.00 H new ATOM 0 HB2 TRP A 27 6.083 -0.539 -11.362 1.00 0.00 H new ATOM 0 HB3 TRP A 27 7.517 -1.530 -11.547 1.00 0.00 H new ATOM 0 HD1 TRP A 27 9.835 0.365 -10.719 1.00 0.00 H new ATOM 0 HE1 TRP A 27 10.066 1.300 -8.320 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.976 -0.175 -9.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 8.379 1.715 -6.114 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 4.361 0.502 -6.943 1.00 0.00 H new ATOM 0 HH2 TRP A 27 6.042 1.441 -5.408 1.00 0.00 H new ATOM 463 N SER A 28 7.934 -1.669 -14.102 1.00 0.00 N ATOM 464 CA SER A 28 7.740 -2.582 -15.216 1.00 0.00 C ATOM 465 C SER A 28 6.453 -3.386 -15.026 1.00 0.00 C ATOM 466 O SER A 28 5.930 -3.460 -13.915 1.00 0.00 O ATOM 467 CB SER A 28 8.944 -3.516 -15.310 1.00 0.00 C ATOM 468 OG SER A 28 10.152 -2.783 -15.193 1.00 0.00 O ATOM 0 H SER A 28 8.669 -1.954 -13.455 1.00 0.00 H new ATOM 0 HA SER A 28 7.650 -2.013 -16.142 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.890 -4.268 -14.523 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.925 -4.048 -16.261 1.00 0.00 H new ATOM 0 HG SER A 28 10.914 -3.396 -15.254 1.00 0.00 H new ATOM 474 N GLU A 29 5.968 -3.999 -16.101 1.00 0.00 N ATOM 475 CA GLU A 29 4.690 -4.709 -16.087 1.00 0.00 C ATOM 476 C GLU A 29 4.660 -5.795 -15.012 1.00 0.00 C ATOM 477 O GLU A 29 3.813 -5.774 -14.115 1.00 0.00 O ATOM 478 CB GLU A 29 4.420 -5.331 -17.459 1.00 0.00 C ATOM 479 CG GLU A 29 3.053 -5.985 -17.571 1.00 0.00 C ATOM 480 CD GLU A 29 2.844 -6.664 -18.907 1.00 0.00 C ATOM 481 OE1 GLU A 29 2.701 -5.952 -19.923 1.00 0.00 O ATOM 482 OE2 GLU A 29 2.820 -7.914 -18.949 1.00 0.00 O ATOM 0 H GLU A 29 6.445 -4.019 -17.002 1.00 0.00 H new ATOM 0 HA GLU A 29 3.911 -3.983 -15.854 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.508 -4.558 -18.223 1.00 0.00 H new ATOM 0 HB3 GLU A 29 5.188 -6.075 -17.669 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.938 -6.718 -16.772 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.280 -5.231 -17.425 1.00 0.00 H new ATOM 489 N ASP A 30 5.596 -6.731 -15.096 1.00 0.00 N ATOM 490 CA ASP A 30 5.632 -7.864 -14.176 1.00 0.00 C ATOM 491 C ASP A 30 6.003 -7.400 -12.773 1.00 0.00 C ATOM 492 O ASP A 30 5.495 -7.919 -11.778 1.00 0.00 O ATOM 493 CB ASP A 30 6.624 -8.916 -14.669 1.00 0.00 C ATOM 494 CG ASP A 30 6.625 -10.165 -13.814 1.00 0.00 C ATOM 495 OD1 ASP A 30 5.763 -11.042 -14.036 1.00 0.00 O ATOM 496 OD2 ASP A 30 7.494 -10.287 -12.928 1.00 0.00 O ATOM 0 H ASP A 30 6.342 -6.730 -15.792 1.00 0.00 H new ATOM 0 HA ASP A 30 4.639 -8.312 -14.139 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.381 -9.185 -15.697 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.626 -8.487 -14.680 1.00 0.00 H new ATOM 501 N TYR A 31 6.879 -6.408 -12.709 1.00 0.00 N ATOM 502 CA TYR A 31 7.294 -5.817 -11.441 1.00 0.00 C ATOM 503 C TYR A 31 6.089 -5.197 -10.734 1.00 0.00 C ATOM 504 O TYR A 31 5.862 -5.426 -9.544 1.00 0.00 O ATOM 505 CB TYR A 31 8.369 -4.753 -11.699 1.00 0.00 C ATOM 506 CG TYR A 31 9.083 -4.250 -10.459 1.00 0.00 C ATOM 507 CD1 TYR A 31 8.497 -3.307 -9.622 1.00 0.00 C ATOM 508 CD2 TYR A 31 10.356 -4.708 -10.139 1.00 0.00 C ATOM 509 CE1 TYR A 31 9.158 -2.837 -8.502 1.00 0.00 C ATOM 510 CE2 TYR A 31 11.023 -4.238 -9.025 1.00 0.00 C ATOM 511 CZ TYR A 31 10.420 -3.306 -8.213 1.00 0.00 C ATOM 512 OH TYR A 31 11.088 -2.831 -7.112 1.00 0.00 O ATOM 0 H TYR A 31 7.321 -5.991 -13.528 1.00 0.00 H new ATOM 0 HA TYR A 31 7.710 -6.593 -10.799 1.00 0.00 H new ATOM 0 HB2 TYR A 31 9.110 -5.165 -12.384 1.00 0.00 H new ATOM 0 HB3 TYR A 31 7.906 -3.905 -12.203 1.00 0.00 H new ATOM 0 HD1 TYR A 31 7.509 -2.935 -9.850 1.00 0.00 H new ATOM 0 HD2 TYR A 31 10.831 -5.443 -10.772 1.00 0.00 H new ATOM 0 HE1 TYR A 31 8.688 -2.108 -7.859 1.00 0.00 H new ATOM 0 HE2 TYR A 31 12.013 -4.601 -8.792 1.00 0.00 H new ATOM 0 HH TYR A 31 11.965 -3.264 -7.049 1.00 0.00 H new ATOM 522 N GLN A 32 5.308 -4.435 -11.488 1.00 0.00 N ATOM 523 CA GLN A 32 4.126 -3.766 -10.965 1.00 0.00 C ATOM 524 C GLN A 32 3.074 -4.789 -10.543 1.00 0.00 C ATOM 525 O GLN A 32 2.406 -4.623 -9.520 1.00 0.00 O ATOM 526 CB GLN A 32 3.554 -2.816 -12.023 1.00 0.00 C ATOM 527 CG GLN A 32 2.431 -1.924 -11.520 1.00 0.00 C ATOM 528 CD GLN A 32 2.850 -1.059 -10.347 1.00 0.00 C ATOM 529 OE1 GLN A 32 3.358 0.045 -10.524 1.00 0.00 O ATOM 530 NE2 GLN A 32 2.631 -1.554 -9.137 1.00 0.00 N ATOM 0 H GLN A 32 5.477 -4.264 -12.479 1.00 0.00 H new ATOM 0 HA GLN A 32 4.410 -3.187 -10.086 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.359 -2.187 -12.403 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.186 -3.405 -12.863 1.00 0.00 H new ATOM 0 HG2 GLN A 32 2.089 -1.284 -12.334 1.00 0.00 H new ATOM 0 HG3 GLN A 32 1.585 -2.544 -11.225 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.207 -2.476 -9.032 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.887 -1.013 -8.311 1.00 0.00 H new ATOM 539 N ARG A 33 2.946 -5.853 -11.330 1.00 0.00 N ATOM 540 CA ARG A 33 2.024 -6.939 -11.014 1.00 0.00 C ATOM 541 C ARG A 33 2.428 -7.612 -9.702 1.00 0.00 C ATOM 542 O ARG A 33 1.582 -7.912 -8.854 1.00 0.00 O ATOM 543 CB ARG A 33 2.006 -7.965 -12.150 1.00 0.00 C ATOM 544 CG ARG A 33 0.970 -9.061 -11.964 1.00 0.00 C ATOM 545 CD ARG A 33 0.940 -10.012 -13.147 1.00 0.00 C ATOM 546 NE ARG A 33 2.182 -10.769 -13.279 1.00 0.00 N ATOM 547 CZ ARG A 33 2.307 -11.870 -14.020 1.00 0.00 C ATOM 548 NH1 ARG A 33 1.269 -12.342 -14.703 1.00 0.00 N ATOM 549 NH2 ARG A 33 3.477 -12.492 -14.091 1.00 0.00 N ATOM 0 H ARG A 33 3.471 -5.986 -12.194 1.00 0.00 H new ATOM 0 HA ARG A 33 1.022 -6.524 -10.900 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.812 -7.450 -13.091 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.993 -8.420 -12.233 1.00 0.00 H new ATOM 0 HG2 ARG A 33 1.190 -9.619 -11.054 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -0.015 -8.612 -11.833 1.00 0.00 H new ATOM 0 HD2 ARG A 33 0.105 -10.704 -13.034 1.00 0.00 H new ATOM 0 HD3 ARG A 33 0.763 -9.446 -14.061 1.00 0.00 H new ATOM 0 HE ARG A 33 3.003 -10.435 -12.774 1.00 0.00 H new ATOM 0 HH11 ARG A 33 0.370 -11.861 -14.662 1.00 0.00 H new ATOM 0 HH12 ARG A 33 1.371 -13.185 -15.268 1.00 0.00 H new ATOM 0 HH21 ARG A 33 4.280 -12.128 -13.579 1.00 0.00 H new ATOM 0 HH22 ARG A 33 3.573 -13.335 -14.658 1.00 0.00 H new ATOM 563 N SER A 34 3.729 -7.839 -9.543 1.00 0.00 N ATOM 564 CA SER A 34 4.276 -8.404 -8.311 1.00 0.00 C ATOM 565 C SER A 34 3.927 -7.527 -7.112 1.00 0.00 C ATOM 566 O SER A 34 3.638 -8.027 -6.021 1.00 0.00 O ATOM 567 CB SER A 34 5.796 -8.545 -8.428 1.00 0.00 C ATOM 568 OG SER A 34 6.150 -9.327 -9.553 1.00 0.00 O ATOM 0 H SER A 34 4.429 -7.639 -10.257 1.00 0.00 H new ATOM 0 HA SER A 34 3.834 -9.389 -8.160 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.251 -7.558 -8.510 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.192 -9.004 -7.523 1.00 0.00 H new ATOM 0 HG SER A 34 5.967 -8.823 -10.373 1.00 0.00 H new ATOM 574 N VAL A 35 3.965 -6.217 -7.324 1.00 0.00 N ATOM 575 CA VAL A 35 3.579 -5.262 -6.297 1.00 0.00 C ATOM 576 C VAL A 35 2.097 -5.412 -5.963 1.00 0.00 C ATOM 577 O VAL A 35 1.736 -5.588 -4.801 1.00 0.00 O ATOM 578 CB VAL A 35 3.864 -3.809 -6.742 1.00 0.00 C ATOM 579 CG1 VAL A 35 3.335 -2.806 -5.723 1.00 0.00 C ATOM 580 CG2 VAL A 35 5.353 -3.601 -6.967 1.00 0.00 C ATOM 0 H VAL A 35 4.261 -5.792 -8.203 1.00 0.00 H new ATOM 0 HA VAL A 35 4.176 -5.474 -5.410 1.00 0.00 H new ATOM 0 HB VAL A 35 3.342 -3.640 -7.684 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.550 -1.793 -6.064 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.258 -2.931 -5.615 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.818 -2.976 -4.761 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.534 -2.573 -7.280 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.892 -3.799 -6.040 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.702 -4.283 -7.742 1.00 0.00 H new ATOM 590 N TRP A 36 1.258 -5.371 -6.996 1.00 0.00 N ATOM 591 CA TRP A 36 -0.194 -5.473 -6.833 1.00 0.00 C ATOM 592 C TRP A 36 -0.580 -6.744 -6.080 1.00 0.00 C ATOM 593 O TRP A 36 -1.410 -6.712 -5.171 1.00 0.00 O ATOM 594 CB TRP A 36 -0.869 -5.444 -8.208 1.00 0.00 C ATOM 595 CG TRP A 36 -2.359 -5.595 -8.161 1.00 0.00 C ATOM 596 CD1 TRP A 36 -3.084 -6.669 -8.588 1.00 0.00 C ATOM 597 CD2 TRP A 36 -3.306 -4.646 -7.656 1.00 0.00 C ATOM 598 NE1 TRP A 36 -4.423 -6.444 -8.391 1.00 0.00 N ATOM 599 CE2 TRP A 36 -4.586 -5.211 -7.818 1.00 0.00 C ATOM 600 CE3 TRP A 36 -3.199 -3.374 -7.087 1.00 0.00 C ATOM 601 CZ2 TRP A 36 -5.747 -4.550 -7.427 1.00 0.00 C ATOM 602 CZ3 TRP A 36 -4.352 -2.719 -6.700 1.00 0.00 C ATOM 603 CH2 TRP A 36 -5.612 -3.306 -6.873 1.00 0.00 C ATOM 0 H TRP A 36 1.561 -5.267 -7.964 1.00 0.00 H new ATOM 0 HA TRP A 36 -0.535 -4.622 -6.243 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.625 -4.503 -8.701 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.453 -6.243 -8.822 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -2.665 -7.566 -9.019 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -5.175 -7.090 -8.632 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.232 -2.912 -6.952 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -6.719 -5.003 -7.556 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.281 -1.737 -6.256 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -6.494 -2.766 -6.563 1.00 0.00 H new ATOM 614 N THR A 37 0.040 -7.855 -6.457 1.00 0.00 N ATOM 615 CA THR A 37 -0.228 -9.135 -5.821 1.00 0.00 C ATOM 616 C THR A 37 0.051 -9.066 -4.318 1.00 0.00 C ATOM 617 O THR A 37 -0.765 -9.493 -3.498 1.00 0.00 O ATOM 618 CB THR A 37 0.626 -10.249 -6.459 1.00 0.00 C ATOM 619 OG1 THR A 37 0.487 -10.213 -7.888 1.00 0.00 O ATOM 620 CG2 THR A 37 0.209 -11.618 -5.944 1.00 0.00 C ATOM 0 H THR A 37 0.734 -7.893 -7.203 1.00 0.00 H new ATOM 0 HA THR A 37 -1.282 -9.367 -5.971 1.00 0.00 H new ATOM 0 HB THR A 37 1.667 -10.077 -6.186 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.002 -9.461 -8.248 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.827 -12.386 -6.410 1.00 0.00 H new ATOM 0 HG22 THR A 37 0.339 -11.655 -4.862 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.838 -11.796 -6.190 1.00 0.00 H new ATOM 628 N ARG A 38 1.196 -8.497 -3.958 1.00 0.00 N ATOM 629 CA ARG A 38 1.579 -8.375 -2.558 1.00 0.00 C ATOM 630 C ARG A 38 0.718 -7.347 -1.836 1.00 0.00 C ATOM 631 O ARG A 38 0.493 -7.459 -0.630 1.00 0.00 O ATOM 632 CB ARG A 38 3.062 -8.031 -2.440 1.00 0.00 C ATOM 633 CG ARG A 38 3.960 -9.221 -2.732 1.00 0.00 C ATOM 634 CD ARG A 38 5.424 -8.830 -2.804 1.00 0.00 C ATOM 635 NE ARG A 38 6.286 -9.994 -3.016 1.00 0.00 N ATOM 636 CZ ARG A 38 6.482 -10.580 -4.197 1.00 0.00 C ATOM 637 NH1 ARG A 38 5.854 -10.137 -5.282 1.00 0.00 N ATOM 638 NH2 ARG A 38 7.295 -11.619 -4.291 1.00 0.00 N ATOM 0 H ARG A 38 1.874 -8.113 -4.616 1.00 0.00 H new ATOM 0 HA ARG A 38 1.411 -9.337 -2.075 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.300 -7.222 -3.131 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.267 -7.663 -1.435 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.825 -9.975 -1.957 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.661 -9.677 -3.676 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.570 -8.116 -3.615 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.712 -8.327 -1.881 1.00 0.00 H new ATOM 0 HE ARG A 38 6.769 -10.383 -2.206 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.217 -9.343 -5.214 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.009 -10.591 -6.182 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.771 -11.971 -3.460 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.446 -12.068 -5.194 1.00 0.00 H new ATOM 652 N LEU A 39 0.220 -6.362 -2.574 1.00 0.00 N ATOM 653 CA LEU A 39 -0.703 -5.387 -2.011 1.00 0.00 C ATOM 654 C LEU A 39 -1.970 -6.085 -1.534 1.00 0.00 C ATOM 655 O LEU A 39 -2.366 -5.939 -0.381 1.00 0.00 O ATOM 656 CB LEU A 39 -1.058 -4.303 -3.037 1.00 0.00 C ATOM 657 CG LEU A 39 0.097 -3.392 -3.462 1.00 0.00 C ATOM 658 CD1 LEU A 39 -0.376 -2.367 -4.483 1.00 0.00 C ATOM 659 CD2 LEU A 39 0.706 -2.701 -2.252 1.00 0.00 C ATOM 0 H LEU A 39 0.439 -6.218 -3.560 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.213 -4.906 -1.164 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.461 -4.788 -3.926 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.853 -3.683 -2.623 1.00 0.00 H new ATOM 0 HG LEU A 39 0.866 -4.008 -3.928 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.459 -1.729 -4.772 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.762 -2.881 -5.363 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.165 -1.755 -4.046 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.525 -2.058 -2.574 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.055 -2.098 -1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.085 -3.451 -1.557 1.00 0.00 H new ATOM 671 N GLU A 40 -2.579 -6.873 -2.415 1.00 0.00 N ATOM 672 CA GLU A 40 -3.800 -7.600 -2.079 1.00 0.00 C ATOM 673 C GLU A 40 -3.562 -8.608 -0.962 1.00 0.00 C ATOM 674 O GLU A 40 -4.473 -8.930 -0.197 1.00 0.00 O ATOM 675 CB GLU A 40 -4.348 -8.331 -3.302 1.00 0.00 C ATOM 676 CG GLU A 40 -4.743 -7.418 -4.446 1.00 0.00 C ATOM 677 CD GLU A 40 -5.485 -8.163 -5.533 1.00 0.00 C ATOM 678 OE1 GLU A 40 -4.830 -8.791 -6.388 1.00 0.00 O ATOM 679 OE2 GLU A 40 -6.734 -8.141 -5.525 1.00 0.00 O ATOM 0 H GLU A 40 -2.247 -7.025 -3.368 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.527 -6.863 -1.737 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.596 -9.036 -3.657 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.217 -8.916 -3.002 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.370 -6.611 -4.066 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.850 -6.957 -4.867 1.00 0.00 H new ATOM 686 N THR A 41 -2.337 -9.104 -0.873 1.00 0.00 N ATOM 687 CA THR A 41 -1.996 -10.123 0.101 1.00 0.00 C ATOM 688 C THR A 41 -1.787 -9.528 1.496 1.00 0.00 C ATOM 689 O THR A 41 -2.344 -10.021 2.477 1.00 0.00 O ATOM 690 CB THR A 41 -0.728 -10.889 -0.329 1.00 0.00 C ATOM 691 OG1 THR A 41 -0.888 -11.390 -1.666 1.00 0.00 O ATOM 692 CG2 THR A 41 -0.444 -12.048 0.615 1.00 0.00 C ATOM 0 H THR A 41 -1.561 -8.814 -1.468 1.00 0.00 H new ATOM 0 HA THR A 41 -2.837 -10.815 0.147 1.00 0.00 H new ATOM 0 HB THR A 41 0.114 -10.197 -0.294 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.678 -10.680 -2.309 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.455 -12.571 0.289 1.00 0.00 H new ATOM 0 HG22 THR A 41 -0.296 -11.666 1.625 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.288 -12.738 0.608 1.00 0.00 H new ATOM 700 N TYR A 42 -1.001 -8.462 1.585 1.00 0.00 N ATOM 701 CA TYR A 42 -0.622 -7.912 2.883 1.00 0.00 C ATOM 702 C TYR A 42 -1.356 -6.609 3.198 1.00 0.00 C ATOM 703 O TYR A 42 -1.862 -6.424 4.303 1.00 0.00 O ATOM 704 CB TYR A 42 0.885 -7.653 2.926 1.00 0.00 C ATOM 705 CG TYR A 42 1.738 -8.862 2.609 1.00 0.00 C ATOM 706 CD1 TYR A 42 1.809 -9.941 3.482 1.00 0.00 C ATOM 707 CD2 TYR A 42 2.488 -8.915 1.440 1.00 0.00 C ATOM 708 CE1 TYR A 42 2.601 -11.037 3.197 1.00 0.00 C ATOM 709 CE2 TYR A 42 3.278 -10.008 1.147 1.00 0.00 C ATOM 710 CZ TYR A 42 3.333 -11.065 2.029 1.00 0.00 C ATOM 711 OH TYR A 42 4.126 -12.151 1.743 1.00 0.00 O ATOM 0 H TYR A 42 -0.616 -7.964 0.782 1.00 0.00 H new ATOM 0 HA TYR A 42 -0.903 -8.651 3.633 1.00 0.00 H new ATOM 0 HB2 TYR A 42 1.125 -6.859 2.219 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.150 -7.287 3.918 1.00 0.00 H new ATOM 0 HD1 TYR A 42 1.236 -9.923 4.397 1.00 0.00 H new ATOM 0 HD2 TYR A 42 2.452 -8.086 0.749 1.00 0.00 H new ATOM 0 HE1 TYR A 42 2.646 -11.868 3.886 1.00 0.00 H new ATOM 0 HE2 TYR A 42 3.850 -10.035 0.231 1.00 0.00 H new ATOM 0 HH TYR A 42 4.573 -12.012 0.882 1.00 0.00 H new ATOM 721 N LEU A 43 -1.427 -5.722 2.218 1.00 0.00 N ATOM 722 CA LEU A 43 -1.879 -4.353 2.448 1.00 0.00 C ATOM 723 C LEU A 43 -3.362 -4.187 2.105 1.00 0.00 C ATOM 724 O LEU A 43 -3.826 -3.089 1.815 1.00 0.00 O ATOM 725 CB LEU A 43 -1.032 -3.398 1.600 1.00 0.00 C ATOM 726 CG LEU A 43 -1.115 -1.920 1.986 1.00 0.00 C ATOM 727 CD1 LEU A 43 -0.524 -1.690 3.368 1.00 0.00 C ATOM 728 CD2 LEU A 43 -0.409 -1.062 0.951 1.00 0.00 C ATOM 0 H LEU A 43 -1.177 -5.924 1.250 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.759 -4.120 3.506 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.010 -3.713 1.662 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.335 -3.500 0.558 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.166 -1.631 2.015 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.594 -0.632 3.622 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.076 -2.277 4.102 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.522 -1.996 3.372 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.477 -0.013 1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.639 -1.354 0.890 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.882 -1.202 -0.021 1.00 0.00 H new ATOM 740 N PHE A 44 -4.106 -5.277 2.153 1.00 0.00 N ATOM 741 CA PHE A 44 -5.529 -5.241 1.824 1.00 0.00 C ATOM 742 C PHE A 44 -6.425 -5.774 2.951 1.00 0.00 C ATOM 743 O PHE A 44 -7.351 -5.085 3.361 1.00 0.00 O ATOM 744 CB PHE A 44 -5.805 -6.011 0.531 1.00 0.00 C ATOM 745 CG PHE A 44 -5.989 -5.129 -0.675 1.00 0.00 C ATOM 746 CD1 PHE A 44 -4.945 -4.353 -1.154 1.00 0.00 C ATOM 747 CD2 PHE A 44 -7.207 -5.084 -1.335 1.00 0.00 C ATOM 748 CE1 PHE A 44 -5.113 -3.550 -2.266 1.00 0.00 C ATOM 749 CE2 PHE A 44 -7.381 -4.281 -2.447 1.00 0.00 C ATOM 750 CZ PHE A 44 -6.333 -3.514 -2.913 1.00 0.00 C ATOM 0 H PHE A 44 -3.755 -6.198 2.415 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.781 -4.190 1.687 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.979 -6.697 0.345 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -6.700 -6.618 0.665 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.989 -4.376 -0.652 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -8.030 -5.684 -0.976 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.291 -2.951 -2.629 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -8.336 -4.254 -2.950 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.466 -2.887 -3.782 1.00 0.00 H new ATOM 760 N PRO A 45 -6.169 -6.984 3.493 1.00 0.00 N ATOM 761 CA PRO A 45 -7.106 -7.639 4.425 1.00 0.00 C ATOM 762 C PRO A 45 -7.354 -6.850 5.716 1.00 0.00 C ATOM 763 O PRO A 45 -8.360 -7.062 6.397 1.00 0.00 O ATOM 764 CB PRO A 45 -6.429 -8.979 4.744 1.00 0.00 C ATOM 765 CG PRO A 45 -4.993 -8.779 4.408 1.00 0.00 C ATOM 766 CD PRO A 45 -4.967 -7.808 3.265 1.00 0.00 C ATOM 0 HA PRO A 45 -8.094 -7.731 3.974 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.555 -9.244 5.794 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.862 -9.789 4.157 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.443 -8.389 5.264 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -4.522 -9.722 4.130 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.059 -7.205 3.270 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.006 -8.318 2.303 1.00 0.00 H new ATOM 774 N ASP A 46 -6.451 -5.942 6.053 1.00 0.00 N ATOM 775 CA ASP A 46 -6.536 -5.234 7.327 1.00 0.00 C ATOM 776 C ASP A 46 -7.031 -3.794 7.162 1.00 0.00 C ATOM 777 O ASP A 46 -7.494 -3.177 8.125 1.00 0.00 O ATOM 778 CB ASP A 46 -5.173 -5.252 8.026 1.00 0.00 C ATOM 779 CG ASP A 46 -4.732 -6.655 8.417 1.00 0.00 C ATOM 780 OD1 ASP A 46 -5.059 -7.097 9.538 1.00 0.00 O ATOM 781 OD2 ASP A 46 -4.067 -7.328 7.603 1.00 0.00 O ATOM 0 H ASP A 46 -5.657 -5.678 5.470 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.270 -5.755 7.942 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -4.425 -4.811 7.367 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.219 -4.628 8.919 1.00 0.00 H new ATOM 786 N ILE A 47 -6.953 -3.262 5.947 1.00 0.00 N ATOM 787 CA ILE A 47 -7.321 -1.866 5.707 1.00 0.00 C ATOM 788 C ILE A 47 -8.308 -1.710 4.552 1.00 0.00 C ATOM 789 O ILE A 47 -9.027 -0.714 4.478 1.00 0.00 O ATOM 790 CB ILE A 47 -6.081 -0.996 5.423 1.00 0.00 C ATOM 791 CG1 ILE A 47 -5.139 -1.715 4.455 1.00 0.00 C ATOM 792 CG2 ILE A 47 -5.371 -0.637 6.720 1.00 0.00 C ATOM 793 CD1 ILE A 47 -3.879 -0.943 4.146 1.00 0.00 C ATOM 0 H ILE A 47 -6.642 -3.768 5.118 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.805 -1.527 6.623 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.404 -0.067 4.953 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.867 -2.682 4.878 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.671 -1.912 3.524 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.498 -0.023 6.499 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.051 -0.082 7.366 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.054 -1.549 7.226 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.262 -1.516 3.454 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.140 0.013 3.693 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.324 -0.768 5.068 1.00 0.00 H new ATOM 805 N GLY A 48 -8.354 -2.691 3.662 1.00 0.00 N ATOM 806 CA GLY A 48 -9.232 -2.611 2.509 1.00 0.00 C ATOM 807 C GLY A 48 -10.695 -2.674 2.893 1.00 0.00 C ATOM 808 O GLY A 48 -11.556 -2.178 2.169 1.00 0.00 O ATOM 0 H GLY A 48 -7.798 -3.544 3.717 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -9.039 -1.682 1.973 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.003 -3.428 1.824 1.00 0.00 H new ATOM 812 N ASN A 49 -10.970 -3.276 4.040 1.00 0.00 N ATOM 813 CA ASN A 49 -12.334 -3.390 4.538 1.00 0.00 C ATOM 814 C ASN A 49 -12.632 -2.275 5.537 1.00 0.00 C ATOM 815 O ASN A 49 -13.600 -2.341 6.296 1.00 0.00 O ATOM 816 CB ASN A 49 -12.562 -4.758 5.192 1.00 0.00 C ATOM 817 CG ASN A 49 -11.778 -4.950 6.483 1.00 0.00 C ATOM 818 OD1 ASN A 49 -10.671 -4.432 6.649 1.00 0.00 O ATOM 819 ND2 ASN A 49 -12.352 -5.701 7.410 1.00 0.00 N ATOM 0 H ASN A 49 -10.264 -3.695 4.646 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.013 -3.294 3.691 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -13.625 -4.880 5.400 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -12.283 -5.541 4.486 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.877 -5.868 8.297 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -13.269 -6.113 7.237 1.00 0.00 H new ATOM 826 N LYS A 50 -11.791 -1.253 5.529 1.00 0.00 N ATOM 827 CA LYS A 50 -11.968 -0.105 6.404 1.00 0.00 C ATOM 828 C LYS A 50 -12.592 1.051 5.629 1.00 0.00 C ATOM 829 O LYS A 50 -12.925 0.913 4.451 1.00 0.00 O ATOM 830 CB LYS A 50 -10.622 0.324 6.994 1.00 0.00 C ATOM 831 CG LYS A 50 -9.992 -0.713 7.918 1.00 0.00 C ATOM 832 CD LYS A 50 -10.748 -0.828 9.233 1.00 0.00 C ATOM 833 CE LYS A 50 -10.097 -1.836 10.171 1.00 0.00 C ATOM 834 NZ LYS A 50 -8.665 -1.523 10.426 1.00 0.00 N ATOM 0 H LYS A 50 -10.974 -1.195 4.922 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.634 -0.385 7.220 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.931 0.537 6.179 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.759 1.253 7.547 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.978 -1.683 7.421 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.955 -0.441 8.117 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.786 0.148 9.717 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.778 -1.127 9.036 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.638 -1.851 11.117 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.178 -2.835 9.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.401 -1.855 11.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.074 -2.000 9.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.518 -0.495 10.365 1.00 0.00 H new ATOM 848 N ASP A 51 -12.746 2.188 6.291 1.00 0.00 N ATOM 849 CA ASP A 51 -13.340 3.374 5.671 1.00 0.00 C ATOM 850 C ASP A 51 -12.286 4.177 4.922 1.00 0.00 C ATOM 851 O ASP A 51 -12.612 5.129 4.214 1.00 0.00 O ATOM 852 CB ASP A 51 -13.985 4.271 6.735 1.00 0.00 C ATOM 853 CG ASP A 51 -15.159 3.619 7.437 1.00 0.00 C ATOM 854 OD1 ASP A 51 -14.945 2.644 8.187 1.00 0.00 O ATOM 855 OD2 ASP A 51 -16.300 4.095 7.263 1.00 0.00 O ATOM 0 H ASP A 51 -12.468 2.319 7.263 1.00 0.00 H new ATOM 0 HA ASP A 51 -14.101 3.034 4.969 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -13.233 4.543 7.476 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -14.319 5.196 6.266 1.00 0.00 H new ATOM 860 N ILE A 52 -11.027 3.771 5.096 1.00 0.00 N ATOM 861 CA ILE A 52 -9.846 4.496 4.601 1.00 0.00 C ATOM 862 C ILE A 52 -9.698 5.881 5.264 1.00 0.00 C ATOM 863 O ILE A 52 -8.607 6.255 5.686 1.00 0.00 O ATOM 864 CB ILE A 52 -9.821 4.601 3.044 1.00 0.00 C ATOM 865 CG1 ILE A 52 -8.439 4.196 2.506 1.00 0.00 C ATOM 866 CG2 ILE A 52 -10.187 5.998 2.548 1.00 0.00 C ATOM 867 CD1 ILE A 52 -7.318 5.144 2.885 1.00 0.00 C ATOM 0 H ILE A 52 -10.791 2.913 5.594 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.979 3.903 4.892 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.577 3.914 2.664 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -8.196 3.200 2.875 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.491 4.129 1.419 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.155 6.017 1.459 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -11.192 6.252 2.886 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -9.476 6.723 2.945 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -6.379 4.783 2.465 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -7.533 6.138 2.492 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.235 5.193 3.971 1.00 0.00 H new ATOM 879 N ALA A 53 -10.798 6.619 5.387 1.00 0.00 N ATOM 880 CA ALA A 53 -10.775 7.945 5.989 1.00 0.00 C ATOM 881 C ALA A 53 -10.540 7.858 7.492 1.00 0.00 C ATOM 882 O ALA A 53 -10.089 8.816 8.119 1.00 0.00 O ATOM 883 CB ALA A 53 -12.076 8.675 5.697 1.00 0.00 C ATOM 0 H ALA A 53 -11.721 6.317 5.075 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.949 8.506 5.551 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -12.048 9.665 6.152 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -12.203 8.774 4.619 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.911 8.110 6.110 1.00 0.00 H new ATOM 889 N GLU A 54 -10.840 6.700 8.061 1.00 0.00 N ATOM 890 CA GLU A 54 -10.657 6.476 9.487 1.00 0.00 C ATOM 891 C GLU A 54 -9.462 5.568 9.746 1.00 0.00 C ATOM 892 O GLU A 54 -9.373 4.921 10.788 1.00 0.00 O ATOM 893 CB GLU A 54 -11.927 5.876 10.097 1.00 0.00 C ATOM 894 CG GLU A 54 -13.074 6.866 10.196 1.00 0.00 C ATOM 895 CD GLU A 54 -12.722 8.068 11.050 1.00 0.00 C ATOM 896 OE1 GLU A 54 -12.696 7.933 12.293 1.00 0.00 O ATOM 897 OE2 GLU A 54 -12.455 9.151 10.486 1.00 0.00 O ATOM 0 H GLU A 54 -11.213 5.897 7.554 1.00 0.00 H new ATOM 0 HA GLU A 54 -10.460 7.437 9.962 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.243 5.024 9.495 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.698 5.495 11.092 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.349 7.201 9.196 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.947 6.367 10.617 1.00 0.00 H new ATOM 904 N LEU A 55 -8.538 5.526 8.797 1.00 0.00 N ATOM 905 CA LEU A 55 -7.320 4.755 8.972 1.00 0.00 C ATOM 906 C LEU A 55 -6.304 5.541 9.784 1.00 0.00 C ATOM 907 O LEU A 55 -5.676 6.480 9.292 1.00 0.00 O ATOM 908 CB LEU A 55 -6.731 4.337 7.624 1.00 0.00 C ATOM 909 CG LEU A 55 -7.435 3.157 6.957 1.00 0.00 C ATOM 910 CD1 LEU A 55 -6.797 2.839 5.616 1.00 0.00 C ATOM 911 CD2 LEU A 55 -7.395 1.941 7.870 1.00 0.00 C ATOM 0 H LEU A 55 -8.609 6.014 7.904 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.572 3.847 9.520 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.764 5.191 6.948 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.680 4.083 7.765 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.476 3.428 6.780 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.314 1.995 5.158 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.871 3.708 4.962 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.747 2.585 5.764 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.900 1.105 7.385 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.358 1.671 8.072 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.898 2.174 8.808 1.00 0.00 H new ATOM 923 N ASP A 56 -6.171 5.159 11.042 1.00 0.00 N ATOM 924 CA ASP A 56 -5.252 5.814 11.956 1.00 0.00 C ATOM 925 C ASP A 56 -3.825 5.366 11.677 1.00 0.00 C ATOM 926 O ASP A 56 -3.609 4.314 11.071 1.00 0.00 O ATOM 927 CB ASP A 56 -5.638 5.494 13.407 1.00 0.00 C ATOM 928 CG ASP A 56 -4.697 6.124 14.412 1.00 0.00 C ATOM 929 OD1 ASP A 56 -4.895 7.310 14.747 1.00 0.00 O ATOM 930 OD2 ASP A 56 -3.747 5.443 14.849 1.00 0.00 O ATOM 0 H ASP A 56 -6.695 4.389 11.458 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.313 6.892 11.806 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.653 5.845 13.595 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.643 4.413 13.548 1.00 0.00 H new ATOM 935 N THR A 57 -2.860 6.171 12.105 1.00 0.00 N ATOM 936 CA THR A 57 -1.451 5.837 11.975 1.00 0.00 C ATOM 937 C THR A 57 -1.174 4.421 12.479 1.00 0.00 C ATOM 938 O THR A 57 -0.503 3.635 11.812 1.00 0.00 O ATOM 939 CB THR A 57 -0.583 6.834 12.764 1.00 0.00 C ATOM 940 OG1 THR A 57 -1.008 8.174 12.483 1.00 0.00 O ATOM 941 CG2 THR A 57 0.886 6.684 12.401 1.00 0.00 C ATOM 0 H THR A 57 -3.034 7.072 12.551 1.00 0.00 H new ATOM 0 HA THR A 57 -1.196 5.893 10.917 1.00 0.00 H new ATOM 0 HB THR A 57 -0.702 6.623 13.827 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.454 8.805 12.988 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.477 7.400 12.972 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.217 5.672 12.634 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.019 6.872 11.336 1.00 0.00 H new ATOM 949 N GLY A 58 -1.736 4.092 13.638 1.00 0.00 N ATOM 950 CA GLY A 58 -1.510 2.792 14.236 1.00 0.00 C ATOM 951 C GLY A 58 -2.246 1.685 13.511 1.00 0.00 C ATOM 952 O GLY A 58 -1.799 0.539 13.503 1.00 0.00 O ATOM 0 H GLY A 58 -2.347 4.708 14.175 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.442 2.576 14.234 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.829 2.814 15.278 1.00 0.00 H new ATOM 956 N ASP A 59 -3.363 2.031 12.879 1.00 0.00 N ATOM 957 CA ASP A 59 -4.177 1.051 12.172 1.00 0.00 C ATOM 958 C ASP A 59 -3.529 0.708 10.835 1.00 0.00 C ATOM 959 O ASP A 59 -3.703 -0.384 10.304 1.00 0.00 O ATOM 960 CB ASP A 59 -5.595 1.592 11.971 1.00 0.00 C ATOM 961 CG ASP A 59 -6.575 0.527 11.515 1.00 0.00 C ATOM 962 OD1 ASP A 59 -6.385 -0.658 11.859 1.00 0.00 O ATOM 963 OD2 ASP A 59 -7.567 0.881 10.839 1.00 0.00 O ATOM 0 H ASP A 59 -3.725 2.984 12.843 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.242 0.140 12.767 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.948 2.027 12.906 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.571 2.395 11.235 1.00 0.00 H new ATOM 968 N LEU A 60 -2.763 1.652 10.302 1.00 0.00 N ATOM 969 CA LEU A 60 -1.948 1.401 9.122 1.00 0.00 C ATOM 970 C LEU A 60 -0.664 0.687 9.526 1.00 0.00 C ATOM 971 O LEU A 60 -0.082 -0.087 8.754 1.00 0.00 O ATOM 972 CB LEU A 60 -1.625 2.715 8.411 1.00 0.00 C ATOM 973 CG LEU A 60 -2.828 3.411 7.774 1.00 0.00 C ATOM 974 CD1 LEU A 60 -2.437 4.778 7.242 1.00 0.00 C ATOM 975 CD2 LEU A 60 -3.403 2.553 6.660 1.00 0.00 C ATOM 0 H LEU A 60 -2.690 2.600 10.670 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.505 0.766 8.434 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.166 3.396 9.127 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.883 2.520 7.636 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.592 3.548 8.539 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.307 5.256 6.793 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.066 5.395 8.061 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.656 4.666 6.490 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.259 3.060 6.215 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.642 2.389 5.897 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.721 1.593 7.067 1.00 0.00 H new ATOM 987 N LEU A 61 -0.229 0.944 10.750 1.00 0.00 N ATOM 988 CA LEU A 61 0.910 0.244 11.305 1.00 0.00 C ATOM 989 C LEU A 61 0.570 -1.219 11.535 1.00 0.00 C ATOM 990 O LEU A 61 1.459 -2.050 11.595 1.00 0.00 O ATOM 991 CB LEU A 61 1.380 0.884 12.613 1.00 0.00 C ATOM 992 CG LEU A 61 2.082 2.235 12.468 1.00 0.00 C ATOM 993 CD1 LEU A 61 2.514 2.754 13.829 1.00 0.00 C ATOM 994 CD2 LEU A 61 3.279 2.125 11.535 1.00 0.00 C ATOM 0 H LEU A 61 -0.650 1.632 11.374 1.00 0.00 H new ATOM 0 HA LEU A 61 1.724 0.315 10.584 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.517 1.011 13.266 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.059 0.193 13.112 1.00 0.00 H new ATOM 0 HG LEU A 61 1.377 2.943 12.033 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.012 3.716 13.710 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.638 2.875 14.467 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.202 2.044 14.288 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.762 3.098 11.447 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.989 1.402 11.937 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.944 1.796 10.551 1.00 0.00 H new ATOM 1006 N VAL A 62 -0.718 -1.532 11.664 1.00 0.00 N ATOM 1007 CA VAL A 62 -1.147 -2.920 11.831 1.00 0.00 C ATOM 1008 C VAL A 62 -0.629 -3.806 10.684 1.00 0.00 C ATOM 1009 O VAL A 62 0.132 -4.738 10.942 1.00 0.00 O ATOM 1010 CB VAL A 62 -2.685 -3.053 11.963 1.00 0.00 C ATOM 1011 CG1 VAL A 62 -3.095 -4.514 12.069 1.00 0.00 C ATOM 1012 CG2 VAL A 62 -3.187 -2.279 13.172 1.00 0.00 C ATOM 0 H VAL A 62 -1.477 -0.851 11.656 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.709 -3.268 12.767 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.138 -2.632 11.065 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.179 -4.582 12.161 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.772 -5.048 11.175 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.628 -4.960 12.947 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.269 -2.384 13.248 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.720 -2.672 14.075 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.932 -1.225 13.061 1.00 0.00 H new ATOM 1022 N PRO A 63 -1.011 -3.544 9.410 1.00 0.00 N ATOM 1023 CA PRO A 63 -0.501 -4.318 8.270 1.00 0.00 C ATOM 1024 C PRO A 63 1.010 -4.163 8.076 1.00 0.00 C ATOM 1025 O PRO A 63 1.694 -5.121 7.711 1.00 0.00 O ATOM 1026 CB PRO A 63 -1.260 -3.758 7.062 1.00 0.00 C ATOM 1027 CG PRO A 63 -1.756 -2.424 7.494 1.00 0.00 C ATOM 1028 CD PRO A 63 -1.978 -2.520 8.978 1.00 0.00 C ATOM 0 HA PRO A 63 -0.656 -5.386 8.419 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.608 -3.673 6.193 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -2.085 -4.411 6.778 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -1.032 -1.644 7.258 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.681 -2.167 6.978 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.798 -1.565 9.472 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.002 -2.812 9.212 1.00 0.00 H new ATOM 1036 N ILE A 64 1.535 -2.963 8.324 1.00 0.00 N ATOM 1037 CA ILE A 64 2.975 -2.733 8.210 1.00 0.00 C ATOM 1038 C ILE A 64 3.749 -3.588 9.222 1.00 0.00 C ATOM 1039 O ILE A 64 4.639 -4.355 8.854 1.00 0.00 O ATOM 1040 CB ILE A 64 3.320 -1.242 8.406 1.00 0.00 C ATOM 1041 CG1 ILE A 64 2.818 -0.431 7.209 1.00 0.00 C ATOM 1042 CG2 ILE A 64 4.819 -1.056 8.589 1.00 0.00 C ATOM 1043 CD1 ILE A 64 3.008 1.063 7.360 1.00 0.00 C ATOM 0 H ILE A 64 0.993 -2.145 8.602 1.00 0.00 H new ATOM 0 HA ILE A 64 3.274 -3.026 7.204 1.00 0.00 H new ATOM 0 HB ILE A 64 2.824 -0.883 9.308 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.339 -0.765 6.312 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.759 -0.640 7.059 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.040 0.003 8.726 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.150 -1.612 9.466 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.342 -1.425 7.707 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.628 1.570 6.473 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.464 1.412 8.238 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.069 1.285 7.479 1.00 0.00 H new ATOM 1055 N LYS A 65 3.380 -3.457 10.490 1.00 0.00 N ATOM 1056 CA LYS A 65 3.962 -4.245 11.574 1.00 0.00 C ATOM 1057 C LYS A 65 3.737 -5.731 11.326 1.00 0.00 C ATOM 1058 O LYS A 65 4.577 -6.565 11.651 1.00 0.00 O ATOM 1059 CB LYS A 65 3.307 -3.825 12.891 1.00 0.00 C ATOM 1060 CG LYS A 65 3.642 -4.687 14.092 1.00 0.00 C ATOM 1061 CD LYS A 65 2.592 -4.510 15.175 1.00 0.00 C ATOM 1062 CE LYS A 65 1.240 -5.028 14.708 1.00 0.00 C ATOM 1063 NZ LYS A 65 0.158 -4.754 15.689 1.00 0.00 N ATOM 0 H LYS A 65 2.665 -2.798 10.799 1.00 0.00 H new ATOM 0 HA LYS A 65 5.036 -4.067 11.622 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.599 -2.798 13.110 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.225 -3.827 12.755 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.694 -5.734 13.794 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.624 -4.417 14.480 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.899 -5.042 16.075 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.511 -3.456 15.440 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.987 -4.566 13.754 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.306 -6.102 14.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.743 -5.126 15.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.384 -5.216 16.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.075 -3.728 15.836 1.00 0.00 H new ATOM 1077 N LYS A 66 2.590 -6.040 10.736 1.00 0.00 N ATOM 1078 CA LYS A 66 2.229 -7.404 10.375 1.00 0.00 C ATOM 1079 C LYS A 66 3.311 -8.027 9.497 1.00 0.00 C ATOM 1080 O LYS A 66 3.659 -9.195 9.658 1.00 0.00 O ATOM 1081 CB LYS A 66 0.894 -7.380 9.629 1.00 0.00 C ATOM 1082 CG LYS A 66 0.270 -8.736 9.365 1.00 0.00 C ATOM 1083 CD LYS A 66 -0.992 -8.576 8.537 1.00 0.00 C ATOM 1084 CE LYS A 66 -1.770 -9.873 8.433 1.00 0.00 C ATOM 1085 NZ LYS A 66 -2.961 -9.733 7.556 1.00 0.00 N ATOM 0 H LYS A 66 1.881 -5.348 10.493 1.00 0.00 H new ATOM 0 HA LYS A 66 2.136 -8.007 11.278 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.188 -6.780 10.203 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.040 -6.875 8.674 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.980 -9.376 8.841 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.035 -9.227 10.309 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.624 -7.809 8.984 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.729 -8.230 7.538 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.121 -10.656 8.042 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.086 -10.188 9.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.591 -10.549 7.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.470 -8.859 7.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.657 -9.693 6.562 1.00 0.00 H new ATOM 1099 N ILE A 67 3.851 -7.231 8.580 1.00 0.00 N ATOM 1100 CA ILE A 67 4.899 -7.698 7.682 1.00 0.00 C ATOM 1101 C ILE A 67 6.271 -7.623 8.350 1.00 0.00 C ATOM 1102 O ILE A 67 7.101 -8.521 8.184 1.00 0.00 O ATOM 1103 CB ILE A 67 4.924 -6.878 6.378 1.00 0.00 C ATOM 1104 CG1 ILE A 67 3.531 -6.841 5.753 1.00 0.00 C ATOM 1105 CG2 ILE A 67 5.924 -7.475 5.397 1.00 0.00 C ATOM 1106 CD1 ILE A 67 3.426 -5.909 4.569 1.00 0.00 C ATOM 0 H ILE A 67 3.579 -6.258 8.440 1.00 0.00 H new ATOM 0 HA ILE A 67 4.674 -8.738 7.443 1.00 0.00 H new ATOM 0 HB ILE A 67 5.232 -5.859 6.612 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.256 -7.848 5.438 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.810 -6.536 6.511 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.931 -6.885 4.480 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.919 -7.466 5.841 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.639 -8.501 5.166 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.410 -5.933 4.176 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.670 -4.894 4.882 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.123 -6.226 3.793 1.00 0.00 H new ATOM 1118 N GLU A 68 6.502 -6.559 9.114 1.00 0.00 N ATOM 1119 CA GLU A 68 7.772 -6.391 9.818 1.00 0.00 C ATOM 1120 C GLU A 68 7.983 -7.523 10.824 1.00 0.00 C ATOM 1121 O GLU A 68 9.092 -8.035 10.974 1.00 0.00 O ATOM 1122 CB GLU A 68 7.849 -5.023 10.513 1.00 0.00 C ATOM 1123 CG GLU A 68 7.907 -3.851 9.537 1.00 0.00 C ATOM 1124 CD GLU A 68 8.394 -2.557 10.167 1.00 0.00 C ATOM 1125 OE1 GLU A 68 9.353 -2.608 10.965 1.00 0.00 O ATOM 1126 OE2 GLU A 68 7.859 -1.478 9.834 1.00 0.00 O ATOM 0 H GLU A 68 5.832 -5.804 9.262 1.00 0.00 H new ATOM 0 HA GLU A 68 8.572 -6.432 9.079 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.981 -4.904 11.162 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.731 -4.998 11.153 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.565 -4.112 8.708 1.00 0.00 H new ATOM 0 HG3 GLU A 68 6.914 -3.690 9.117 1.00 0.00 H new ATOM 1133 N LYS A 69 6.908 -7.924 11.490 1.00 0.00 N ATOM 1134 CA LYS A 69 6.952 -9.043 12.421 1.00 0.00 C ATOM 1135 C LYS A 69 7.002 -10.369 11.660 1.00 0.00 C ATOM 1136 O LYS A 69 7.498 -11.375 12.170 1.00 0.00 O ATOM 1137 CB LYS A 69 5.725 -9.015 13.337 1.00 0.00 C ATOM 1138 CG LYS A 69 5.721 -10.117 14.382 1.00 0.00 C ATOM 1139 CD LYS A 69 4.424 -10.142 15.173 1.00 0.00 C ATOM 1140 CE LYS A 69 4.419 -11.266 16.197 1.00 0.00 C ATOM 1141 NZ LYS A 69 4.597 -12.600 15.561 1.00 0.00 N ATOM 0 H LYS A 69 5.990 -7.488 11.402 1.00 0.00 H new ATOM 0 HA LYS A 69 7.853 -8.953 13.028 1.00 0.00 H new ATOM 0 HB2 LYS A 69 5.679 -8.049 13.840 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.825 -9.100 12.728 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.867 -11.081 13.894 1.00 0.00 H new ATOM 0 HG3 LYS A 69 6.559 -9.974 15.064 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.286 -9.186 15.679 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.583 -10.266 14.491 1.00 0.00 H new ATOM 0 HE2 LYS A 69 5.217 -11.100 16.921 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.479 -11.250 16.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 4.322 -13.344 16.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 4.000 -12.662 14.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 5.594 -12.727 15.293 1.00 0.00 H new ATOM 1155 N LEU A 70 6.505 -10.349 10.427 1.00 0.00 N ATOM 1156 CA LEU A 70 6.441 -11.547 9.595 1.00 0.00 C ATOM 1157 C LEU A 70 7.844 -11.984 9.183 1.00 0.00 C ATOM 1158 O LEU A 70 8.064 -13.127 8.779 1.00 0.00 O ATOM 1159 CB LEU A 70 5.586 -11.280 8.353 1.00 0.00 C ATOM 1160 CG LEU A 70 5.070 -12.524 7.626 1.00 0.00 C ATOM 1161 CD1 LEU A 70 4.117 -13.302 8.520 1.00 0.00 C ATOM 1162 CD2 LEU A 70 4.382 -12.131 6.327 1.00 0.00 C ATOM 0 H LEU A 70 6.138 -9.509 9.979 1.00 0.00 H new ATOM 0 HA LEU A 70 5.983 -12.349 10.174 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.731 -10.672 8.647 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.172 -10.688 7.651 1.00 0.00 H new ATOM 0 HG LEU A 70 5.919 -13.164 7.387 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.758 -14.184 7.989 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.638 -13.611 9.426 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.270 -12.670 8.786 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.020 -13.026 5.821 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.541 -11.473 6.545 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.091 -11.612 5.682 1.00 0.00 H new ATOM 1174 N GLY A 71 8.792 -11.062 9.282 1.00 0.00 N ATOM 1175 CA GLY A 71 10.176 -11.383 9.001 1.00 0.00 C ATOM 1176 C GLY A 71 10.632 -10.868 7.654 1.00 0.00 C ATOM 1177 O GLY A 71 11.809 -10.978 7.310 1.00 0.00 O ATOM 0 H GLY A 71 8.625 -10.093 9.553 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.809 -10.959 9.781 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.308 -12.464 9.036 1.00 0.00 H new ATOM 1181 N TYR A 72 9.706 -10.308 6.887 1.00 0.00 N ATOM 1182 CA TYR A 72 10.034 -9.775 5.573 1.00 0.00 C ATOM 1183 C TYR A 72 10.351 -8.293 5.674 1.00 0.00 C ATOM 1184 O TYR A 72 9.478 -7.447 5.483 1.00 0.00 O ATOM 1185 CB TYR A 72 8.889 -9.997 4.582 1.00 0.00 C ATOM 1186 CG TYR A 72 8.595 -11.452 4.294 1.00 0.00 C ATOM 1187 CD1 TYR A 72 9.298 -12.144 3.318 1.00 0.00 C ATOM 1188 CD2 TYR A 72 7.610 -12.130 4.997 1.00 0.00 C ATOM 1189 CE1 TYR A 72 9.024 -13.472 3.050 1.00 0.00 C ATOM 1190 CE2 TYR A 72 7.330 -13.455 4.733 1.00 0.00 C ATOM 1191 CZ TYR A 72 8.040 -14.122 3.761 1.00 0.00 C ATOM 1192 OH TYR A 72 7.755 -15.444 3.498 1.00 0.00 O ATOM 0 H TYR A 72 8.726 -10.212 7.151 1.00 0.00 H new ATOM 0 HA TYR A 72 10.911 -10.307 5.204 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.987 -9.526 4.974 1.00 0.00 H new ATOM 0 HB3 TYR A 72 9.131 -9.494 3.646 1.00 0.00 H new ATOM 0 HD1 TYR A 72 10.071 -11.637 2.759 1.00 0.00 H new ATOM 0 HD2 TYR A 72 7.053 -11.612 5.764 1.00 0.00 H new ATOM 0 HE1 TYR A 72 9.579 -13.997 2.287 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.557 -13.967 5.287 1.00 0.00 H new ATOM 0 HH TYR A 72 7.036 -15.748 4.090 1.00 0.00 H new ATOM 1202 N LEU A 73 11.600 -7.988 5.992 1.00 0.00 N ATOM 1203 CA LEU A 73 12.034 -6.610 6.180 1.00 0.00 C ATOM 1204 C LEU A 73 11.959 -5.817 4.881 1.00 0.00 C ATOM 1205 O LEU A 73 11.463 -4.691 4.864 1.00 0.00 O ATOM 1206 CB LEU A 73 13.458 -6.573 6.738 1.00 0.00 C ATOM 1207 CG LEU A 73 13.605 -7.113 8.162 1.00 0.00 C ATOM 1208 CD1 LEU A 73 15.070 -7.148 8.571 1.00 0.00 C ATOM 1209 CD2 LEU A 73 12.796 -6.261 9.130 1.00 0.00 C ATOM 0 H LEU A 73 12.336 -8.681 6.126 1.00 0.00 H new ATOM 0 HA LEU A 73 11.357 -6.144 6.896 1.00 0.00 H new ATOM 0 HB2 LEU A 73 14.107 -7.149 6.078 1.00 0.00 H new ATOM 0 HB3 LEU A 73 13.815 -5.543 6.717 1.00 0.00 H new ATOM 0 HG LEU A 73 13.221 -8.133 8.192 1.00 0.00 H new ATOM 0 HD11 LEU A 73 15.155 -7.535 9.587 1.00 0.00 H new ATOM 0 HD12 LEU A 73 15.623 -7.794 7.889 1.00 0.00 H new ATOM 0 HD13 LEU A 73 15.483 -6.140 8.531 1.00 0.00 H new ATOM 0 HD21 LEU A 73 12.907 -6.654 10.141 1.00 0.00 H new ATOM 0 HD22 LEU A 73 13.156 -5.233 9.098 1.00 0.00 H new ATOM 0 HD23 LEU A 73 11.744 -6.286 8.845 1.00 0.00 H new ATOM 1221 N GLU A 74 12.434 -6.408 3.790 1.00 0.00 N ATOM 1222 CA GLU A 74 12.415 -5.732 2.502 1.00 0.00 C ATOM 1223 C GLU A 74 10.986 -5.492 2.049 1.00 0.00 C ATOM 1224 O GLU A 74 10.647 -4.404 1.590 1.00 0.00 O ATOM 1225 CB GLU A 74 13.172 -6.528 1.437 1.00 0.00 C ATOM 1226 CG GLU A 74 14.680 -6.532 1.630 1.00 0.00 C ATOM 1227 CD GLU A 74 15.408 -7.151 0.455 1.00 0.00 C ATOM 1228 OE1 GLU A 74 15.486 -6.504 -0.609 1.00 0.00 O ATOM 1229 OE2 GLU A 74 15.900 -8.290 0.589 1.00 0.00 O ATOM 0 H GLU A 74 12.834 -7.346 3.773 1.00 0.00 H new ATOM 0 HA GLU A 74 12.918 -4.773 2.629 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.812 -7.557 1.441 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.942 -6.114 0.455 1.00 0.00 H new ATOM 0 HG2 GLU A 74 15.029 -5.509 1.773 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.926 -7.082 2.538 1.00 0.00 H new ATOM 1236 N ILE A 75 10.142 -6.503 2.207 1.00 0.00 N ATOM 1237 CA ILE A 75 8.749 -6.393 1.809 1.00 0.00 C ATOM 1238 C ILE A 75 8.015 -5.376 2.677 1.00 0.00 C ATOM 1239 O ILE A 75 7.201 -4.607 2.179 1.00 0.00 O ATOM 1240 CB ILE A 75 8.033 -7.759 1.859 1.00 0.00 C ATOM 1241 CG1 ILE A 75 8.669 -8.708 0.839 1.00 0.00 C ATOM 1242 CG2 ILE A 75 6.538 -7.605 1.596 1.00 0.00 C ATOM 1243 CD1 ILE A 75 7.975 -10.045 0.734 1.00 0.00 C ATOM 0 H ILE A 75 10.399 -7.405 2.607 1.00 0.00 H new ATOM 0 HA ILE A 75 8.733 -6.046 0.776 1.00 0.00 H new ATOM 0 HB ILE A 75 8.148 -8.179 2.858 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.665 -8.229 -0.140 1.00 0.00 H new ATOM 0 HG13 ILE A 75 9.712 -8.871 1.110 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.059 -8.583 1.637 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.101 -6.954 2.353 1.00 0.00 H new ATOM 0 HG23 ILE A 75 6.385 -7.167 0.609 1.00 0.00 H new ATOM 0 HD11 ILE A 75 8.483 -10.661 -0.008 1.00 0.00 H new ATOM 0 HD12 ILE A 75 8.002 -10.546 1.702 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.939 -9.894 0.432 1.00 0.00 H new ATOM 1255 N ALA A 76 8.324 -5.358 3.967 1.00 0.00 N ATOM 1256 CA ALA A 76 7.739 -4.379 4.875 1.00 0.00 C ATOM 1257 C ALA A 76 8.100 -2.965 4.443 1.00 0.00 C ATOM 1258 O ALA A 76 7.233 -2.100 4.334 1.00 0.00 O ATOM 1259 CB ALA A 76 8.209 -4.628 6.296 1.00 0.00 C ATOM 0 H ALA A 76 8.975 -6.008 4.408 1.00 0.00 H new ATOM 0 HA ALA A 76 6.655 -4.486 4.841 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.763 -3.889 6.961 1.00 0.00 H new ATOM 0 HB2 ALA A 76 7.907 -5.627 6.609 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.295 -4.547 6.339 1.00 0.00 H new ATOM 1265 N MET A 77 9.386 -2.740 4.186 1.00 0.00 N ATOM 1266 CA MET A 77 9.852 -1.447 3.697 1.00 0.00 C ATOM 1267 C MET A 77 9.196 -1.110 2.360 1.00 0.00 C ATOM 1268 O MET A 77 8.804 0.033 2.119 1.00 0.00 O ATOM 1269 CB MET A 77 11.377 -1.434 3.548 1.00 0.00 C ATOM 1270 CG MET A 77 12.126 -1.550 4.869 1.00 0.00 C ATOM 1271 SD MET A 77 13.918 -1.444 4.669 1.00 0.00 S ATOM 1272 CE MET A 77 14.238 -2.882 3.646 1.00 0.00 C ATOM 0 H MET A 77 10.122 -3.435 4.308 1.00 0.00 H new ATOM 0 HA MET A 77 9.569 -0.692 4.430 1.00 0.00 H new ATOM 0 HB2 MET A 77 11.676 -2.257 2.898 1.00 0.00 H new ATOM 0 HB3 MET A 77 11.676 -0.511 3.052 1.00 0.00 H new ATOM 0 HG2 MET A 77 11.793 -0.759 5.541 1.00 0.00 H new ATOM 0 HG3 MET A 77 11.873 -2.499 5.343 1.00 0.00 H new ATOM 0 HE1 MET A 77 15.313 -3.001 3.512 1.00 0.00 H new ATOM 0 HE2 MET A 77 13.832 -3.770 4.130 1.00 0.00 H new ATOM 0 HE3 MET A 77 13.763 -2.750 2.674 1.00 0.00 H new ATOM 1282 N ARG A 78 9.071 -2.117 1.501 1.00 0.00 N ATOM 1283 CA ARG A 78 8.433 -1.946 0.201 1.00 0.00 C ATOM 1284 C ARG A 78 6.970 -1.565 0.355 1.00 0.00 C ATOM 1285 O ARG A 78 6.540 -0.535 -0.153 1.00 0.00 O ATOM 1286 CB ARG A 78 8.538 -3.225 -0.633 1.00 0.00 C ATOM 1287 CG ARG A 78 9.923 -3.476 -1.196 1.00 0.00 C ATOM 1288 CD ARG A 78 9.918 -4.645 -2.164 1.00 0.00 C ATOM 1289 NE ARG A 78 11.208 -4.804 -2.827 1.00 0.00 N ATOM 1290 CZ ARG A 78 11.503 -4.256 -4.001 1.00 0.00 C ATOM 1291 NH1 ARG A 78 10.596 -3.524 -4.636 1.00 0.00 N ATOM 1292 NH2 ARG A 78 12.702 -4.439 -4.536 1.00 0.00 N ATOM 0 H ARG A 78 9.405 -3.063 1.683 1.00 0.00 H new ATOM 0 HA ARG A 78 8.957 -1.140 -0.313 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.247 -4.075 -0.016 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.826 -3.170 -1.456 1.00 0.00 H new ATOM 0 HG2 ARG A 78 10.279 -2.580 -1.705 1.00 0.00 H new ATOM 0 HG3 ARG A 78 10.619 -3.678 -0.381 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.670 -5.561 -1.627 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.140 -4.494 -2.913 1.00 0.00 H new ATOM 0 HE ARG A 78 11.922 -5.366 -2.364 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.674 -3.383 -4.223 1.00 0.00 H new ATOM 0 HH12 ARG A 78 10.821 -3.103 -5.537 1.00 0.00 H new ATOM 0 HH21 ARG A 78 13.399 -5.001 -4.046 1.00 0.00 H new ATOM 0 HH22 ARG A 78 12.928 -4.018 -5.437 1.00 0.00 H new ATOM 1306 N VAL A 79 6.216 -2.395 1.065 1.00 0.00 N ATOM 1307 CA VAL A 79 4.787 -2.178 1.238 1.00 0.00 C ATOM 1308 C VAL A 79 4.519 -0.873 1.987 1.00 0.00 C ATOM 1309 O VAL A 79 3.528 -0.199 1.724 1.00 0.00 O ATOM 1310 CB VAL A 79 4.115 -3.369 1.963 1.00 0.00 C ATOM 1311 CG1 VAL A 79 2.655 -3.072 2.275 1.00 0.00 C ATOM 1312 CG2 VAL A 79 4.220 -4.632 1.120 1.00 0.00 C ATOM 0 H VAL A 79 6.574 -3.228 1.532 1.00 0.00 H new ATOM 0 HA VAL A 79 4.346 -2.101 0.244 1.00 0.00 H new ATOM 0 HB VAL A 79 4.641 -3.524 2.905 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.210 -3.927 2.784 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.592 -2.194 2.918 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.116 -2.882 1.347 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.743 -5.460 1.644 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.723 -4.473 0.163 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.270 -4.869 0.948 1.00 0.00 H new ATOM 1322 N LYS A 80 5.412 -0.504 2.901 1.00 0.00 N ATOM 1323 CA LYS A 80 5.302 0.778 3.588 1.00 0.00 C ATOM 1324 C LYS A 80 5.427 1.918 2.580 1.00 0.00 C ATOM 1325 O LYS A 80 4.683 2.898 2.635 1.00 0.00 O ATOM 1326 CB LYS A 80 6.379 0.915 4.674 1.00 0.00 C ATOM 1327 CG LYS A 80 6.206 2.148 5.553 1.00 0.00 C ATOM 1328 CD LYS A 80 7.305 2.263 6.605 1.00 0.00 C ATOM 1329 CE LYS A 80 7.364 1.028 7.495 1.00 0.00 C ATOM 1330 NZ LYS A 80 8.432 1.121 8.525 1.00 0.00 N ATOM 0 H LYS A 80 6.213 -1.070 3.181 1.00 0.00 H new ATOM 0 HA LYS A 80 4.326 0.827 4.070 1.00 0.00 H new ATOM 0 HB2 LYS A 80 6.364 0.025 5.304 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.359 0.952 4.199 1.00 0.00 H new ATOM 0 HG2 LYS A 80 6.208 3.041 4.928 1.00 0.00 H new ATOM 0 HG3 LYS A 80 5.235 2.107 6.047 1.00 0.00 H new ATOM 0 HD2 LYS A 80 8.267 2.403 6.112 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.130 3.146 7.219 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.401 0.891 7.986 1.00 0.00 H new ATOM 0 HE3 LYS A 80 7.535 0.146 6.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 8.420 0.265 9.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 9.358 1.207 8.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 8.266 1.956 9.123 1.00 0.00 H new ATOM 1344 N GLN A 81 6.361 1.770 1.650 1.00 0.00 N ATOM 1345 CA GLN A 81 6.556 2.754 0.595 1.00 0.00 C ATOM 1346 C GLN A 81 5.369 2.750 -0.365 1.00 0.00 C ATOM 1347 O GLN A 81 4.878 3.810 -0.759 1.00 0.00 O ATOM 1348 CB GLN A 81 7.856 2.470 -0.165 1.00 0.00 C ATOM 1349 CG GLN A 81 8.143 3.459 -1.283 1.00 0.00 C ATOM 1350 CD GLN A 81 8.319 4.879 -0.779 1.00 0.00 C ATOM 1351 OE1 GLN A 81 9.425 5.300 -0.446 1.00 0.00 O ATOM 1352 NE2 GLN A 81 7.230 5.631 -0.725 1.00 0.00 N ATOM 0 H GLN A 81 6.998 0.974 1.605 1.00 0.00 H new ATOM 0 HA GLN A 81 6.628 3.741 1.052 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.688 2.482 0.540 1.00 0.00 H new ATOM 0 HB3 GLN A 81 7.808 1.465 -0.585 1.00 0.00 H new ATOM 0 HG2 GLN A 81 9.045 3.151 -1.812 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.326 3.433 -2.004 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.330 5.246 -1.010 1.00 0.00 H new ATOM 0 HE22 GLN A 81 7.292 6.595 -0.398 1.00 0.00 H new ATOM 1361 N TYR A 82 4.920 1.553 -0.744 1.00 0.00 N ATOM 1362 CA TYR A 82 3.746 1.403 -1.598 1.00 0.00 C ATOM 1363 C TYR A 82 2.533 2.053 -0.940 1.00 0.00 C ATOM 1364 O TYR A 82 1.799 2.805 -1.578 1.00 0.00 O ATOM 1365 CB TYR A 82 3.446 -0.077 -1.880 1.00 0.00 C ATOM 1366 CG TYR A 82 4.592 -0.858 -2.499 1.00 0.00 C ATOM 1367 CD1 TYR A 82 5.585 -0.227 -3.238 1.00 0.00 C ATOM 1368 CD2 TYR A 82 4.673 -2.237 -2.339 1.00 0.00 C ATOM 1369 CE1 TYR A 82 6.626 -0.946 -3.798 1.00 0.00 C ATOM 1370 CE2 TYR A 82 5.710 -2.962 -2.896 1.00 0.00 C ATOM 1371 CZ TYR A 82 6.684 -2.313 -3.624 1.00 0.00 C ATOM 1372 OH TYR A 82 7.719 -3.034 -4.182 1.00 0.00 O ATOM 0 H TYR A 82 5.355 0.672 -0.471 1.00 0.00 H new ATOM 0 HA TYR A 82 3.958 1.898 -2.546 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.161 -0.559 -0.945 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.584 -0.137 -2.545 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.544 0.843 -3.378 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.912 -2.751 -1.770 1.00 0.00 H new ATOM 0 HE1 TYR A 82 7.390 -0.439 -4.369 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.757 -4.033 -2.761 1.00 0.00 H new ATOM 0 HH TYR A 82 8.022 -2.591 -5.002 1.00 0.00 H new ATOM 1382 N ALA A 83 2.346 1.767 0.346 1.00 0.00 N ATOM 1383 CA ALA A 83 1.255 2.342 1.122 1.00 0.00 C ATOM 1384 C ALA A 83 1.358 3.856 1.157 1.00 0.00 C ATOM 1385 O ALA A 83 0.363 4.548 1.008 1.00 0.00 O ATOM 1386 CB ALA A 83 1.250 1.785 2.538 1.00 0.00 C ATOM 0 H ALA A 83 2.944 1.133 0.876 1.00 0.00 H new ATOM 0 HA ALA A 83 0.318 2.069 0.637 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.428 2.227 3.100 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.125 0.703 2.503 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.194 2.025 3.027 1.00 0.00 H new ATOM 1392 N THR A 84 2.566 4.365 1.351 1.00 0.00 N ATOM 1393 CA THR A 84 2.796 5.801 1.364 1.00 0.00 C ATOM 1394 C THR A 84 2.442 6.419 0.008 1.00 0.00 C ATOM 1395 O THR A 84 1.910 7.529 -0.059 1.00 0.00 O ATOM 1396 CB THR A 84 4.261 6.120 1.728 1.00 0.00 C ATOM 1397 OG1 THR A 84 4.571 5.556 3.009 1.00 0.00 O ATOM 1398 CG2 THR A 84 4.509 7.622 1.761 1.00 0.00 C ATOM 0 H THR A 84 3.403 3.803 1.502 1.00 0.00 H new ATOM 0 HA THR A 84 2.149 6.237 2.125 1.00 0.00 H new ATOM 0 HB THR A 84 4.904 5.685 0.963 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.872 4.631 2.895 1.00 0.00 H new ATOM 0 HG21 THR A 84 5.550 7.813 2.020 1.00 0.00 H new ATOM 0 HG22 THR A 84 4.295 8.048 0.781 1.00 0.00 H new ATOM 0 HG23 THR A 84 3.859 8.082 2.506 1.00 0.00 H new ATOM 1406 N ALA A 85 2.712 5.681 -1.065 1.00 0.00 N ATOM 1407 CA ALA A 85 2.381 6.133 -2.407 1.00 0.00 C ATOM 1408 C ALA A 85 0.869 6.146 -2.614 1.00 0.00 C ATOM 1409 O ALA A 85 0.312 7.115 -3.128 1.00 0.00 O ATOM 1410 CB ALA A 85 3.058 5.250 -3.447 1.00 0.00 C ATOM 0 H ALA A 85 3.160 4.766 -1.028 1.00 0.00 H new ATOM 0 HA ALA A 85 2.749 7.152 -2.528 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.800 5.601 -4.446 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.139 5.295 -3.314 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.720 4.221 -3.326 1.00 0.00 H new ATOM 1416 N ILE A 86 0.211 5.067 -2.200 1.00 0.00 N ATOM 1417 CA ILE A 86 -1.244 4.971 -2.286 1.00 0.00 C ATOM 1418 C ILE A 86 -1.897 5.991 -1.357 1.00 0.00 C ATOM 1419 O ILE A 86 -2.932 6.570 -1.679 1.00 0.00 O ATOM 1420 CB ILE A 86 -1.741 3.553 -1.921 1.00 0.00 C ATOM 1421 CG1 ILE A 86 -1.090 2.512 -2.834 1.00 0.00 C ATOM 1422 CG2 ILE A 86 -3.261 3.472 -2.020 1.00 0.00 C ATOM 1423 CD1 ILE A 86 -1.448 1.083 -2.485 1.00 0.00 C ATOM 0 H ILE A 86 0.663 4.245 -1.801 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.526 5.180 -3.318 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.455 3.342 -0.891 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.387 2.710 -3.864 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.007 2.627 -2.786 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.590 2.466 -1.759 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.709 4.190 -1.333 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.572 3.702 -3.039 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.949 0.404 -3.176 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.126 0.866 -1.467 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.527 0.949 -2.561 1.00 0.00 H new ATOM 1435 N MET A 87 -1.269 6.216 -0.212 1.00 0.00 N ATOM 1436 CA MET A 87 -1.763 7.171 0.769 1.00 0.00 C ATOM 1437 C MET A 87 -1.722 8.583 0.197 1.00 0.00 C ATOM 1438 O MET A 87 -2.636 9.374 0.403 1.00 0.00 O ATOM 1439 CB MET A 87 -0.922 7.096 2.044 1.00 0.00 C ATOM 1440 CG MET A 87 -1.737 7.188 3.320 1.00 0.00 C ATOM 1441 SD MET A 87 -2.910 5.829 3.495 1.00 0.00 S ATOM 1442 CE MET A 87 -1.814 4.412 3.420 1.00 0.00 C ATOM 0 H MET A 87 -0.407 5.744 0.062 1.00 0.00 H new ATOM 0 HA MET A 87 -2.796 6.922 1.012 1.00 0.00 H new ATOM 0 HB2 MET A 87 -0.365 6.159 2.046 1.00 0.00 H new ATOM 0 HB3 MET A 87 -0.189 7.903 2.033 1.00 0.00 H new ATOM 0 HG2 MET A 87 -1.063 7.194 4.177 1.00 0.00 H new ATOM 0 HG3 MET A 87 -2.278 8.134 3.333 1.00 0.00 H new ATOM 0 HE1 MET A 87 -2.223 3.603 4.025 1.00 0.00 H new ATOM 0 HE2 MET A 87 -1.719 4.080 2.386 1.00 0.00 H new ATOM 0 HE3 MET A 87 -0.832 4.691 3.803 1.00 0.00 H new ATOM 1452 N ARG A 88 -0.657 8.888 -0.539 1.00 0.00 N ATOM 1453 CA ARG A 88 -0.535 10.178 -1.204 1.00 0.00 C ATOM 1454 C ARG A 88 -1.594 10.294 -2.298 1.00 0.00 C ATOM 1455 O ARG A 88 -2.157 11.365 -2.532 1.00 0.00 O ATOM 1456 CB ARG A 88 0.877 10.344 -1.784 1.00 0.00 C ATOM 1457 CG ARG A 88 1.115 11.682 -2.466 1.00 0.00 C ATOM 1458 CD ARG A 88 2.574 11.849 -2.862 1.00 0.00 C ATOM 1459 NE ARG A 88 2.801 13.079 -3.620 1.00 0.00 N ATOM 1460 CZ ARG A 88 3.970 13.718 -3.699 1.00 0.00 C ATOM 1461 NH1 ARG A 88 5.030 13.286 -3.025 1.00 0.00 N ATOM 1462 NH2 ARG A 88 4.074 14.807 -4.448 1.00 0.00 N ATOM 0 H ARG A 88 0.132 8.259 -0.689 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.697 10.976 -0.479 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.604 10.223 -0.981 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.059 9.545 -2.502 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.485 11.758 -3.352 1.00 0.00 H new ATOM 0 HG3 ARG A 88 0.823 12.491 -1.796 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.194 11.857 -1.965 1.00 0.00 H new ATOM 0 HD3 ARG A 88 2.887 10.993 -3.459 1.00 0.00 H new ATOM 0 HE ARG A 88 2.009 13.477 -4.125 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.957 12.456 -2.437 1.00 0.00 H new ATOM 0 HH12 ARG A 88 5.917 13.785 -3.095 1.00 0.00 H new ATOM 0 HH21 ARG A 88 3.263 15.153 -4.961 1.00 0.00 H new ATOM 0 HH22 ARG A 88 4.965 15.299 -4.512 1.00 0.00 H new ATOM 1476 N TYR A 89 -1.877 9.169 -2.940 1.00 0.00 N ATOM 1477 CA TYR A 89 -2.923 9.093 -3.950 1.00 0.00 C ATOM 1478 C TYR A 89 -4.288 9.319 -3.294 1.00 0.00 C ATOM 1479 O TYR A 89 -5.182 9.928 -3.880 1.00 0.00 O ATOM 1480 CB TYR A 89 -2.872 7.719 -4.629 1.00 0.00 C ATOM 1481 CG TYR A 89 -3.579 7.637 -5.964 1.00 0.00 C ATOM 1482 CD1 TYR A 89 -2.922 7.986 -7.137 1.00 0.00 C ATOM 1483 CD2 TYR A 89 -4.891 7.193 -6.057 1.00 0.00 C ATOM 1484 CE1 TYR A 89 -3.552 7.898 -8.364 1.00 0.00 C ATOM 1485 CE2 TYR A 89 -5.528 7.100 -7.279 1.00 0.00 C ATOM 1486 CZ TYR A 89 -4.856 7.454 -8.428 1.00 0.00 C ATOM 1487 OH TYR A 89 -5.487 7.359 -9.649 1.00 0.00 O ATOM 0 H TYR A 89 -1.391 8.287 -2.776 1.00 0.00 H new ATOM 0 HA TYR A 89 -2.768 9.865 -4.703 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -1.828 7.439 -4.770 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -3.311 6.982 -3.957 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -1.900 8.332 -7.089 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -5.423 6.916 -5.159 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -3.027 8.175 -9.266 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -6.549 6.751 -7.333 1.00 0.00 H new ATOM 0 HH TYR A 89 -4.854 7.028 -10.320 1.00 0.00 H new ATOM 1497 N ALA A 90 -4.422 8.833 -2.060 1.00 0.00 N ATOM 1498 CA ALA A 90 -5.642 9.003 -1.274 1.00 0.00 C ATOM 1499 C ALA A 90 -5.917 10.474 -0.990 1.00 0.00 C ATOM 1500 O ALA A 90 -7.070 10.907 -0.988 1.00 0.00 O ATOM 1501 CB ALA A 90 -5.536 8.229 0.032 1.00 0.00 C ATOM 0 H ALA A 90 -3.689 8.312 -1.579 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.475 8.611 -1.857 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.451 8.363 0.610 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.395 7.170 -0.183 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.687 8.599 0.606 1.00 0.00 H new ATOM 1507 N VAL A 91 -4.855 11.234 -0.749 1.00 0.00 N ATOM 1508 CA VAL A 91 -4.977 12.667 -0.505 1.00 0.00 C ATOM 1509 C VAL A 91 -5.361 13.379 -1.800 1.00 0.00 C ATOM 1510 O VAL A 91 -6.094 14.366 -1.786 1.00 0.00 O ATOM 1511 CB VAL A 91 -3.665 13.268 0.053 1.00 0.00 C ATOM 1512 CG1 VAL A 91 -3.865 14.713 0.490 1.00 0.00 C ATOM 1513 CG2 VAL A 91 -3.146 12.436 1.212 1.00 0.00 C ATOM 0 H VAL A 91 -3.898 10.882 -0.717 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.755 12.813 0.244 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.925 13.254 -0.747 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.926 15.109 0.878 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.186 15.310 -0.364 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.626 14.755 1.269 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.223 12.875 1.590 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.891 12.416 2.008 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.951 11.419 0.871 1.00 0.00 H new ATOM 1523 N GLN A 92 -4.890 12.844 -2.923 1.00 0.00 N ATOM 1524 CA GLN A 92 -5.198 13.408 -4.233 1.00 0.00 C ATOM 1525 C GLN A 92 -6.652 13.142 -4.618 1.00 0.00 C ATOM 1526 O GLN A 92 -7.225 13.853 -5.442 1.00 0.00 O ATOM 1527 CB GLN A 92 -4.261 12.842 -5.300 1.00 0.00 C ATOM 1528 CG GLN A 92 -2.804 13.199 -5.066 1.00 0.00 C ATOM 1529 CD GLN A 92 -1.882 12.641 -6.130 1.00 0.00 C ATOM 1530 OE1 GLN A 92 -0.846 13.226 -6.434 1.00 0.00 O ATOM 1531 NE2 GLN A 92 -2.250 11.505 -6.700 1.00 0.00 N ATOM 0 H GLN A 92 -4.292 12.018 -2.951 1.00 0.00 H new ATOM 0 HA GLN A 92 -5.050 14.486 -4.172 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -4.363 11.757 -5.326 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -4.567 13.214 -6.278 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -2.701 14.284 -5.036 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -2.495 12.822 -4.091 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -3.119 11.051 -6.418 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -1.665 11.083 -7.421 1.00 0.00 H new ATOM 1540 N GLN A 93 -7.240 12.104 -4.034 1.00 0.00 N ATOM 1541 CA GLN A 93 -8.665 11.839 -4.206 1.00 0.00 C ATOM 1542 C GLN A 93 -9.437 12.350 -2.998 1.00 0.00 C ATOM 1543 O GLN A 93 -10.643 12.127 -2.868 1.00 0.00 O ATOM 1544 CB GLN A 93 -8.925 10.347 -4.424 1.00 0.00 C ATOM 1545 CG GLN A 93 -8.428 9.843 -5.770 1.00 0.00 C ATOM 1546 CD GLN A 93 -8.778 8.388 -6.013 1.00 0.00 C ATOM 1547 OE1 GLN A 93 -8.865 7.600 -5.080 1.00 0.00 O ATOM 1548 NE2 GLN A 93 -8.983 8.022 -7.269 1.00 0.00 N ATOM 0 H GLN A 93 -6.754 11.433 -3.439 1.00 0.00 H new ATOM 0 HA GLN A 93 -9.011 12.368 -5.094 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -8.440 9.780 -3.629 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -9.995 10.156 -4.344 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -8.858 10.454 -6.564 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -7.346 9.966 -5.823 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -8.901 8.708 -8.020 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -9.223 7.054 -7.486 1.00 0.00 H new ATOM 1557 N LYS A 94 -8.709 13.042 -2.125 1.00 0.00 N ATOM 1558 CA LYS A 94 -9.268 13.688 -0.940 1.00 0.00 C ATOM 1559 C LYS A 94 -10.095 12.727 -0.096 1.00 0.00 C ATOM 1560 O LYS A 94 -11.242 13.008 0.245 1.00 0.00 O ATOM 1561 CB LYS A 94 -10.095 14.911 -1.338 1.00 0.00 C ATOM 1562 CG LYS A 94 -9.295 15.932 -2.128 1.00 0.00 C ATOM 1563 CD LYS A 94 -9.997 17.276 -2.183 1.00 0.00 C ATOM 1564 CE LYS A 94 -9.183 18.294 -2.965 1.00 0.00 C ATOM 1565 NZ LYS A 94 -7.762 18.331 -2.525 1.00 0.00 N ATOM 0 H LYS A 94 -7.702 13.172 -2.222 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.431 14.014 -0.323 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.950 14.588 -1.932 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -10.492 15.384 -0.439 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.312 16.054 -1.674 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.135 15.564 -3.141 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.977 17.158 -2.646 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -10.165 17.642 -1.170 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -9.227 18.054 -4.027 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -9.626 19.283 -2.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.308 19.192 -2.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.720 18.331 -1.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -7.263 17.495 -2.891 1.00 0.00 H new ATOM 1579 N MET A 95 -9.510 11.583 0.223 1.00 0.00 N ATOM 1580 CA MET A 95 -10.128 10.652 1.154 1.00 0.00 C ATOM 1581 C MET A 95 -9.614 10.921 2.555 1.00 0.00 C ATOM 1582 O MET A 95 -10.361 10.879 3.529 1.00 0.00 O ATOM 1583 CB MET A 95 -9.823 9.206 0.786 1.00 0.00 C ATOM 1584 CG MET A 95 -10.293 8.809 -0.596 1.00 0.00 C ATOM 1585 SD MET A 95 -10.245 7.028 -0.840 1.00 0.00 S ATOM 1586 CE MET A 95 -8.529 6.672 -0.460 1.00 0.00 C ATOM 0 H MET A 95 -8.610 11.277 -0.148 1.00 0.00 H new ATOM 0 HA MET A 95 -11.207 10.800 1.107 1.00 0.00 H new ATOM 0 HB2 MET A 95 -8.747 9.044 0.853 1.00 0.00 H new ATOM 0 HB3 MET A 95 -10.290 8.549 1.520 1.00 0.00 H new ATOM 0 HG2 MET A 95 -11.310 9.168 -0.750 1.00 0.00 H new ATOM 0 HG3 MET A 95 -9.667 9.294 -1.345 1.00 0.00 H new ATOM 0 HE1 MET A 95 -8.359 5.597 -0.516 1.00 0.00 H new ATOM 0 HE2 MET A 95 -7.885 7.179 -1.178 1.00 0.00 H new ATOM 0 HE3 MET A 95 -8.298 7.024 0.546 1.00 0.00 H new ATOM 1596 N ILE A 96 -8.322 11.195 2.636 1.00 0.00 N ATOM 1597 CA ILE A 96 -7.671 11.474 3.902 1.00 0.00 C ATOM 1598 C ILE A 96 -7.072 12.876 3.870 1.00 0.00 C ATOM 1599 O ILE A 96 -7.142 13.557 2.844 1.00 0.00 O ATOM 1600 CB ILE A 96 -6.572 10.434 4.209 1.00 0.00 C ATOM 1601 CG1 ILE A 96 -5.507 10.441 3.110 1.00 0.00 C ATOM 1602 CG2 ILE A 96 -7.187 9.045 4.348 1.00 0.00 C ATOM 1603 CD1 ILE A 96 -4.380 9.462 3.350 1.00 0.00 C ATOM 0 H ILE A 96 -7.699 11.230 1.829 1.00 0.00 H new ATOM 0 HA ILE A 96 -8.418 11.413 4.693 1.00 0.00 H new ATOM 0 HB ILE A 96 -6.094 10.699 5.152 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.981 10.210 2.156 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -5.092 11.445 3.025 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -6.403 8.320 4.564 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -7.913 9.048 5.161 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.686 8.773 3.418 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -3.664 9.523 2.530 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.880 9.705 4.288 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -4.782 8.450 3.405 1.00 0.00 H new ATOM 1615 N ARG A 97 -6.489 13.308 4.977 1.00 0.00 N ATOM 1616 CA ARG A 97 -5.942 14.656 5.062 1.00 0.00 C ATOM 1617 C ARG A 97 -4.434 14.651 4.839 1.00 0.00 C ATOM 1618 O ARG A 97 -3.908 15.471 4.086 1.00 0.00 O ATOM 1619 CB ARG A 97 -6.278 15.290 6.414 1.00 0.00 C ATOM 1620 CG ARG A 97 -7.770 15.494 6.636 1.00 0.00 C ATOM 1621 CD ARG A 97 -8.050 16.193 7.956 1.00 0.00 C ATOM 1622 NE ARG A 97 -9.481 16.411 8.172 1.00 0.00 N ATOM 1623 CZ ARG A 97 -9.983 17.411 8.899 1.00 0.00 C ATOM 1624 NH1 ARG A 97 -9.176 18.312 9.449 1.00 0.00 N ATOM 1625 NH2 ARG A 97 -11.295 17.518 9.070 1.00 0.00 N ATOM 0 H ARG A 97 -6.382 12.751 5.824 1.00 0.00 H new ATOM 0 HA ARG A 97 -6.400 15.253 4.274 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -5.883 14.659 7.210 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -5.773 16.253 6.490 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -8.183 16.083 5.817 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -8.276 14.529 6.621 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -7.647 15.596 8.774 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -7.531 17.151 7.975 1.00 0.00 H new ATOM 0 HE ARG A 97 -10.135 15.758 7.740 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -8.167 18.241 9.316 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -9.565 19.074 10.004 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -11.922 16.835 8.645 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -11.676 18.283 9.626 1.00 0.00 H new ATOM 1639 N PHE A 98 -3.749 13.729 5.500 1.00 0.00 N ATOM 1640 CA PHE A 98 -2.305 13.587 5.358 1.00 0.00 C ATOM 1641 C PHE A 98 -1.923 12.113 5.372 1.00 0.00 C ATOM 1642 O PHE A 98 -2.779 11.250 5.567 1.00 0.00 O ATOM 1643 CB PHE A 98 -1.562 14.318 6.480 1.00 0.00 C ATOM 1644 CG PHE A 98 -1.700 15.816 6.443 1.00 0.00 C ATOM 1645 CD1 PHE A 98 -0.897 16.574 5.605 1.00 0.00 C ATOM 1646 CD2 PHE A 98 -2.628 16.463 7.243 1.00 0.00 C ATOM 1647 CE1 PHE A 98 -1.016 17.951 5.568 1.00 0.00 C ATOM 1648 CE2 PHE A 98 -2.752 17.840 7.210 1.00 0.00 C ATOM 1649 CZ PHE A 98 -1.946 18.586 6.370 1.00 0.00 C ATOM 0 H PHE A 98 -4.173 13.063 6.145 1.00 0.00 H new ATOM 0 HA PHE A 98 -2.016 14.033 4.406 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.930 13.955 7.440 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.504 14.061 6.426 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.170 16.084 4.974 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -3.262 15.885 7.900 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -0.383 18.530 4.913 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.478 18.332 7.840 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.043 19.661 6.340 1.00 0.00 H new ATOM 1659 N ASN A 99 -0.638 11.834 5.187 1.00 0.00 N ATOM 1660 CA ASN A 99 -0.147 10.458 5.141 1.00 0.00 C ATOM 1661 C ASN A 99 0.369 10.026 6.509 1.00 0.00 C ATOM 1662 O ASN A 99 1.470 10.405 6.904 1.00 0.00 O ATOM 1663 CB ASN A 99 0.982 10.316 4.109 1.00 0.00 C ATOM 1664 CG ASN A 99 0.532 10.550 2.680 1.00 0.00 C ATOM 1665 OD1 ASN A 99 -0.385 11.318 2.418 1.00 0.00 O ATOM 1666 ND2 ASN A 99 1.185 9.887 1.740 1.00 0.00 N ATOM 0 H ASN A 99 0.086 12.543 5.066 1.00 0.00 H new ATOM 0 HA ASN A 99 -0.981 9.819 4.851 1.00 0.00 H new ATOM 0 HB2 ASN A 99 1.775 11.023 4.351 1.00 0.00 H new ATOM 0 HB3 ASN A 99 1.411 9.317 4.187 1.00 0.00 H new ATOM 0 HD21 ASN A 99 0.930 10.008 0.760 1.00 0.00 H new ATOM 0 HD22 ASN A 99 1.944 9.255 1.995 1.00 0.00 H new ATOM 1673 N PRO A 100 -0.408 9.214 7.247 1.00 0.00 N ATOM 1674 CA PRO A 100 -0.043 8.782 8.604 1.00 0.00 C ATOM 1675 C PRO A 100 1.292 8.038 8.645 1.00 0.00 C ATOM 1676 O PRO A 100 2.089 8.224 9.563 1.00 0.00 O ATOM 1677 CB PRO A 100 -1.188 7.848 9.006 1.00 0.00 C ATOM 1678 CG PRO A 100 -2.326 8.239 8.128 1.00 0.00 C ATOM 1679 CD PRO A 100 -1.705 8.658 6.826 1.00 0.00 C ATOM 0 HA PRO A 100 0.087 9.631 9.275 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -0.916 6.803 8.859 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -1.443 7.966 10.059 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -3.014 7.406 7.984 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.900 9.054 8.569 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -1.582 7.815 6.147 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.314 9.399 6.308 1.00 0.00 H new ATOM 1687 N ALA A 101 1.532 7.201 7.641 1.00 0.00 N ATOM 1688 CA ALA A 101 2.786 6.458 7.543 1.00 0.00 C ATOM 1689 C ALA A 101 3.951 7.403 7.265 1.00 0.00 C ATOM 1690 O ALA A 101 5.082 7.156 7.680 1.00 0.00 O ATOM 1691 CB ALA A 101 2.687 5.403 6.453 1.00 0.00 C ATOM 0 H ALA A 101 0.875 7.019 6.882 1.00 0.00 H new ATOM 0 HA ALA A 101 2.969 5.961 8.496 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.628 4.856 6.390 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.879 4.710 6.690 1.00 0.00 H new ATOM 0 HB3 ALA A 101 2.483 5.885 5.497 1.00 0.00 H new ATOM 1697 N TYR A 102 3.654 8.502 6.585 1.00 0.00 N ATOM 1698 CA TYR A 102 4.671 9.471 6.213 1.00 0.00 C ATOM 1699 C TYR A 102 5.069 10.303 7.428 1.00 0.00 C ATOM 1700 O TYR A 102 6.235 10.641 7.604 1.00 0.00 O ATOM 1701 CB TYR A 102 4.145 10.372 5.096 1.00 0.00 C ATOM 1702 CG TYR A 102 5.210 11.167 4.377 1.00 0.00 C ATOM 1703 CD1 TYR A 102 5.974 10.581 3.375 1.00 0.00 C ATOM 1704 CD2 TYR A 102 5.441 12.503 4.682 1.00 0.00 C ATOM 1705 CE1 TYR A 102 6.938 11.301 2.700 1.00 0.00 C ATOM 1706 CE2 TYR A 102 6.408 13.230 4.011 1.00 0.00 C ATOM 1707 CZ TYR A 102 7.152 12.624 3.020 1.00 0.00 C ATOM 1708 OH TYR A 102 8.108 13.343 2.343 1.00 0.00 O ATOM 0 H TYR A 102 2.711 8.744 6.279 1.00 0.00 H new ATOM 0 HA TYR A 102 5.553 8.944 5.851 1.00 0.00 H new ATOM 0 HB2 TYR A 102 3.616 9.756 4.369 1.00 0.00 H new ATOM 0 HB3 TYR A 102 3.416 11.064 5.518 1.00 0.00 H new ATOM 0 HD1 TYR A 102 5.810 9.544 3.120 1.00 0.00 H new ATOM 0 HD2 TYR A 102 4.857 12.981 5.454 1.00 0.00 H new ATOM 0 HE1 TYR A 102 7.523 10.830 1.924 1.00 0.00 H new ATOM 0 HE2 TYR A 102 6.579 14.266 4.262 1.00 0.00 H new ATOM 0 HH TYR A 102 8.133 14.260 2.688 1.00 0.00 H new ATOM 1718 N ASP A 103 4.091 10.615 8.270 1.00 0.00 N ATOM 1719 CA ASP A 103 4.348 11.354 9.505 1.00 0.00 C ATOM 1720 C ASP A 103 4.932 10.435 10.571 1.00 0.00 C ATOM 1721 O ASP A 103 5.522 10.898 11.548 1.00 0.00 O ATOM 1722 CB ASP A 103 3.072 12.017 10.029 1.00 0.00 C ATOM 1723 CG ASP A 103 2.632 13.197 9.187 1.00 0.00 C ATOM 1724 OD1 ASP A 103 1.868 12.998 8.222 1.00 0.00 O ATOM 1725 OD2 ASP A 103 3.039 14.339 9.490 1.00 0.00 O ATOM 0 H ASP A 103 3.112 10.369 8.122 1.00 0.00 H new ATOM 0 HA ASP A 103 5.073 12.136 9.277 1.00 0.00 H new ATOM 0 HB2 ASP A 103 2.271 11.279 10.058 1.00 0.00 H new ATOM 0 HB3 ASP A 103 3.236 12.350 11.054 1.00 0.00 H new ATOM 1730 N LEU A 104 4.759 9.131 10.385 1.00 0.00 N ATOM 1731 CA LEU A 104 5.379 8.148 11.263 1.00 0.00 C ATOM 1732 C LEU A 104 6.877 8.112 10.971 1.00 0.00 C ATOM 1733 O LEU A 104 7.705 8.123 11.879 1.00 0.00 O ATOM 1734 CB LEU A 104 4.738 6.766 11.053 1.00 0.00 C ATOM 1735 CG LEU A 104 4.840 5.785 12.233 1.00 0.00 C ATOM 1736 CD1 LEU A 104 6.267 5.295 12.430 1.00 0.00 C ATOM 1737 CD2 LEU A 104 4.322 6.435 13.507 1.00 0.00 C ATOM 0 H LEU A 104 4.195 8.731 9.635 1.00 0.00 H new ATOM 0 HA LEU A 104 5.224 8.425 12.306 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.684 6.909 10.817 1.00 0.00 H new ATOM 0 HB3 LEU A 104 5.200 6.303 10.181 1.00 0.00 H new ATOM 0 HG LEU A 104 4.221 4.919 12.000 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.301 4.604 13.272 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.604 4.785 11.528 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.919 6.145 12.631 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.400 5.729 14.334 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.915 7.322 13.730 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.279 6.721 13.372 1.00 0.00 H new ATOM 1749 N GLU A 105 7.217 8.083 9.689 1.00 0.00 N ATOM 1750 CA GLU A 105 8.606 8.198 9.260 1.00 0.00 C ATOM 1751 C GLU A 105 9.122 9.608 9.521 1.00 0.00 C ATOM 1752 O GLU A 105 10.304 9.811 9.791 1.00 0.00 O ATOM 1753 CB GLU A 105 8.735 7.849 7.775 1.00 0.00 C ATOM 1754 CG GLU A 105 8.632 6.358 7.494 1.00 0.00 C ATOM 1755 CD GLU A 105 9.915 5.619 7.825 1.00 0.00 C ATOM 1756 OE1 GLU A 105 10.519 5.907 8.882 1.00 0.00 O ATOM 1757 OE2 GLU A 105 10.333 4.761 7.021 1.00 0.00 O ATOM 0 H GLU A 105 6.548 7.981 8.926 1.00 0.00 H new ATOM 0 HA GLU A 105 9.209 7.494 9.834 1.00 0.00 H new ATOM 0 HB2 GLU A 105 7.957 8.371 7.218 1.00 0.00 H new ATOM 0 HB3 GLU A 105 9.692 8.216 7.405 1.00 0.00 H new ATOM 0 HG2 GLU A 105 7.812 5.937 8.076 1.00 0.00 H new ATOM 0 HG3 GLU A 105 8.388 6.205 6.443 1.00 0.00 H new ATOM 1764 N GLY A 106 8.211 10.573 9.458 1.00 0.00 N ATOM 1765 CA GLY A 106 8.554 11.965 9.684 1.00 0.00 C ATOM 1766 C GLY A 106 8.736 12.293 11.153 1.00 0.00 C ATOM 1767 O GLY A 106 9.059 13.430 11.506 1.00 0.00 O ATOM 0 H GLY A 106 7.225 10.411 9.251 1.00 0.00 H new ATOM 0 HA2 GLY A 106 9.473 12.200 9.147 1.00 0.00 H new ATOM 0 HA3 GLY A 106 7.771 12.600 9.269 1.00 0.00 H new ATOM 1771 N ALA A 107 8.506 11.305 12.017 1.00 0.00 N ATOM 1772 CA ALA A 107 8.781 11.458 13.437 1.00 0.00 C ATOM 1773 C ALA A 107 10.284 11.524 13.658 1.00 0.00 C ATOM 1774 O ALA A 107 10.765 12.089 14.641 1.00 0.00 O ATOM 1775 CB ALA A 107 8.166 10.315 14.235 1.00 0.00 C ATOM 0 H ALA A 107 8.131 10.393 11.755 1.00 0.00 H new ATOM 0 HA ALA A 107 8.329 12.386 13.788 1.00 0.00 H new ATOM 0 HB1 ALA A 107 8.385 10.451 15.294 1.00 0.00 H new ATOM 0 HB2 ALA A 107 7.086 10.307 14.086 1.00 0.00 H new ATOM 0 HB3 ALA A 107 8.586 9.368 13.897 1.00 0.00 H new ATOM 1781 N VAL A 108 11.018 10.938 12.722 1.00 0.00 N ATOM 1782 CA VAL A 108 12.466 11.008 12.716 1.00 0.00 C ATOM 1783 C VAL A 108 12.916 11.861 11.536 1.00 0.00 C ATOM 1784 O VAL A 108 12.605 11.552 10.388 1.00 0.00 O ATOM 1785 CB VAL A 108 13.105 9.607 12.611 1.00 0.00 C ATOM 1786 CG1 VAL A 108 14.619 9.702 12.710 1.00 0.00 C ATOM 1787 CG2 VAL A 108 12.555 8.676 13.681 1.00 0.00 C ATOM 0 H VAL A 108 10.624 10.403 11.948 1.00 0.00 H new ATOM 0 HA VAL A 108 12.791 11.453 13.657 1.00 0.00 H new ATOM 0 HB VAL A 108 12.848 9.190 11.637 1.00 0.00 H new ATOM 0 HG11 VAL A 108 15.052 8.705 12.634 1.00 0.00 H new ATOM 0 HG12 VAL A 108 14.998 10.325 11.900 1.00 0.00 H new ATOM 0 HG13 VAL A 108 14.894 10.145 13.667 1.00 0.00 H new ATOM 0 HG21 VAL A 108 13.021 7.696 13.585 1.00 0.00 H new ATOM 0 HG22 VAL A 108 12.773 9.086 14.667 1.00 0.00 H new ATOM 0 HG23 VAL A 108 11.476 8.578 13.559 1.00 0.00 H new ATOM 1797 N GLN A 109 13.638 12.933 11.821 1.00 0.00 N ATOM 1798 CA GLN A 109 14.036 13.877 10.787 1.00 0.00 C ATOM 1799 C GLN A 109 15.080 13.258 9.861 1.00 0.00 C ATOM 1800 O GLN A 109 15.111 13.557 8.664 1.00 0.00 O ATOM 1801 CB GLN A 109 14.565 15.163 11.422 1.00 0.00 C ATOM 1802 CG GLN A 109 13.585 15.786 12.408 1.00 0.00 C ATOM 1803 CD GLN A 109 14.023 17.148 12.903 1.00 0.00 C ATOM 1804 OE1 GLN A 109 15.215 17.444 12.987 1.00 0.00 O ATOM 1805 NE2 GLN A 109 13.057 17.984 13.247 1.00 0.00 N ATOM 0 H GLN A 109 13.961 13.172 12.759 1.00 0.00 H new ATOM 0 HA GLN A 109 13.161 14.123 10.186 1.00 0.00 H new ATOM 0 HB2 GLN A 109 15.502 14.949 11.936 1.00 0.00 H new ATOM 0 HB3 GLN A 109 14.789 15.884 10.636 1.00 0.00 H new ATOM 0 HG2 GLN A 109 12.609 15.876 11.932 1.00 0.00 H new ATOM 0 HG3 GLN A 109 13.464 15.118 13.261 1.00 0.00 H new ATOM 0 HE21 GLN A 109 12.081 17.699 13.162 1.00 0.00 H new ATOM 0 HE22 GLN A 109 13.288 18.914 13.597 1.00 0.00 H new ATOM 1814 N LYS A 110 15.919 12.387 10.430 1.00 0.00 N ATOM 1815 CA LYS A 110 16.921 11.643 9.665 1.00 0.00 C ATOM 1816 C LYS A 110 17.923 12.591 9.002 1.00 0.00 C ATOM 1817 O LYS A 110 18.043 13.753 9.399 1.00 0.00 O ATOM 1818 CB LYS A 110 16.232 10.743 8.630 1.00 0.00 C ATOM 1819 CG LYS A 110 15.307 9.712 9.265 1.00 0.00 C ATOM 1820 CD LYS A 110 14.512 8.926 8.233 1.00 0.00 C ATOM 1821 CE LYS A 110 13.543 7.968 8.912 1.00 0.00 C ATOM 1822 NZ LYS A 110 12.735 7.192 7.934 1.00 0.00 N ATOM 0 H LYS A 110 15.922 12.179 11.429 1.00 0.00 H new ATOM 0 HA LYS A 110 17.482 11.008 10.351 1.00 0.00 H new ATOM 0 HB2 LYS A 110 15.659 11.363 7.941 1.00 0.00 H new ATOM 0 HB3 LYS A 110 16.991 10.229 8.040 1.00 0.00 H new ATOM 0 HG2 LYS A 110 15.897 9.021 9.867 1.00 0.00 H new ATOM 0 HG3 LYS A 110 14.618 10.216 9.943 1.00 0.00 H new ATOM 0 HD2 LYS A 110 13.961 9.613 7.591 1.00 0.00 H new ATOM 0 HD3 LYS A 110 15.193 8.367 7.591 1.00 0.00 H new ATOM 0 HE2 LYS A 110 14.101 7.279 9.546 1.00 0.00 H new ATOM 0 HE3 LYS A 110 12.876 8.532 9.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 12.165 6.484 8.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 12.105 7.837 7.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 13.369 6.712 7.263 1.00 0.00 H new ATOM 1836 N LEU A 111 18.666 12.085 8.026 1.00 0.00 N ATOM 1837 CA LEU A 111 19.672 12.889 7.338 1.00 0.00 C ATOM 1838 C LEU A 111 19.917 12.360 5.926 1.00 0.00 C ATOM 1839 O LEU A 111 20.218 13.124 5.008 1.00 0.00 O ATOM 1840 CB LEU A 111 20.981 12.891 8.134 1.00 0.00 C ATOM 1841 CG LEU A 111 22.087 13.796 7.583 1.00 0.00 C ATOM 1842 CD1 LEU A 111 21.642 15.250 7.586 1.00 0.00 C ATOM 1843 CD2 LEU A 111 23.364 13.627 8.393 1.00 0.00 C ATOM 0 H LEU A 111 18.593 11.124 7.692 1.00 0.00 H new ATOM 0 HA LEU A 111 19.300 13.911 7.262 1.00 0.00 H new ATOM 0 HB2 LEU A 111 20.763 13.196 9.158 1.00 0.00 H new ATOM 0 HB3 LEU A 111 21.360 11.870 8.179 1.00 0.00 H new ATOM 0 HG LEU A 111 22.289 13.503 6.553 1.00 0.00 H new ATOM 0 HD11 LEU A 111 22.442 15.876 7.191 1.00 0.00 H new ATOM 0 HD12 LEU A 111 20.754 15.360 6.964 1.00 0.00 H new ATOM 0 HD13 LEU A 111 21.411 15.558 8.606 1.00 0.00 H new ATOM 0 HD21 LEU A 111 24.140 14.277 7.989 1.00 0.00 H new ATOM 0 HD22 LEU A 111 23.173 13.893 9.433 1.00 0.00 H new ATOM 0 HD23 LEU A 111 23.695 12.590 8.339 1.00 0.00 H new ATOM 1855 N GLU A 112 19.785 11.052 5.759 1.00 0.00 N ATOM 1856 CA GLU A 112 20.024 10.414 4.472 1.00 0.00 C ATOM 1857 C GLU A 112 18.808 10.540 3.564 1.00 0.00 C ATOM 1858 O GLU A 112 17.741 10.987 3.990 1.00 0.00 O ATOM 1859 CB GLU A 112 20.349 8.938 4.675 1.00 0.00 C ATOM 1860 CG GLU A 112 21.554 8.697 5.561 1.00 0.00 C ATOM 1861 CD GLU A 112 21.636 7.265 6.029 1.00 0.00 C ATOM 1862 OE1 GLU A 112 22.211 6.425 5.305 1.00 0.00 O ATOM 1863 OE2 GLU A 112 21.116 6.968 7.123 1.00 0.00 O ATOM 0 H GLU A 112 19.512 10.409 6.502 1.00 0.00 H new ATOM 0 HA GLU A 112 20.867 10.917 3.999 1.00 0.00 H new ATOM 0 HB2 GLU A 112 19.483 8.441 5.111 1.00 0.00 H new ATOM 0 HB3 GLU A 112 20.525 8.477 3.703 1.00 0.00 H new ATOM 0 HG2 GLU A 112 22.462 8.952 5.015 1.00 0.00 H new ATOM 0 HG3 GLU A 112 21.506 9.359 6.426 1.00 0.00 H new ATOM 1870 N HIS A 113 18.976 10.143 2.313 1.00 0.00 N ATOM 1871 CA HIS A 113 17.883 10.136 1.356 1.00 0.00 C ATOM 1872 C HIS A 113 17.946 8.874 0.502 1.00 0.00 C ATOM 1873 O HIS A 113 18.855 8.057 0.660 1.00 0.00 O ATOM 1874 CB HIS A 113 17.897 11.401 0.492 1.00 0.00 C ATOM 1875 CG HIS A 113 17.369 12.615 1.199 1.00 0.00 C ATOM 1876 ND1 HIS A 113 18.176 13.533 1.832 1.00 0.00 N ATOM 1877 CD2 HIS A 113 16.099 13.052 1.378 1.00 0.00 C ATOM 1878 CE1 HIS A 113 17.430 14.479 2.369 1.00 0.00 C ATOM 1879 NE2 HIS A 113 16.165 14.212 2.109 1.00 0.00 N ATOM 0 H HIS A 113 19.866 9.819 1.935 1.00 0.00 H new ATOM 0 HA HIS A 113 16.940 10.132 1.902 1.00 0.00 H new ATOM 0 HB2 HIS A 113 18.918 11.596 0.165 1.00 0.00 H new ATOM 0 HB3 HIS A 113 17.303 11.225 -0.405 1.00 0.00 H new ATOM 0 HD2 HIS A 113 15.201 12.576 1.013 1.00 0.00 H new ATOM 0 HE1 HIS A 113 17.794 15.329 2.927 1.00 0.00 H new ATOM 0 HE2 HIS A 113 15.367 14.775 2.403 1.00 0.00 H new ATOM 1888 N HIS A 114 16.997 8.735 -0.412 1.00 0.00 N ATOM 1889 CA HIS A 114 16.752 7.460 -1.082 1.00 0.00 C ATOM 1890 C HIS A 114 17.883 7.037 -2.021 1.00 0.00 C ATOM 1891 O HIS A 114 18.235 5.862 -2.061 1.00 0.00 O ATOM 1892 CB HIS A 114 15.426 7.516 -1.845 1.00 0.00 C ATOM 1893 CG HIS A 114 15.081 6.248 -2.573 1.00 0.00 C ATOM 1894 ND1 HIS A 114 14.834 5.052 -1.935 1.00 0.00 N ATOM 1895 CD2 HIS A 114 14.939 5.999 -3.897 1.00 0.00 C ATOM 1896 CE1 HIS A 114 14.553 4.125 -2.833 1.00 0.00 C ATOM 1897 NE2 HIS A 114 14.610 4.675 -4.032 1.00 0.00 N ATOM 0 H HIS A 114 16.380 9.491 -0.710 1.00 0.00 H new ATOM 0 HA HIS A 114 16.703 6.703 -0.300 1.00 0.00 H new ATOM 0 HB2 HIS A 114 14.625 7.748 -1.143 1.00 0.00 H new ATOM 0 HB3 HIS A 114 15.467 8.335 -2.563 1.00 0.00 H new ATOM 0 HD2 HIS A 114 15.062 6.712 -4.699 1.00 0.00 H new ATOM 0 HE1 HIS A 114 14.317 3.092 -2.622 1.00 0.00 H new ATOM 0 HE2 HIS A 114 14.437 4.193 -4.914 1.00 0.00 H new ATOM 1906 N HIS A 115 18.456 7.969 -2.772 1.00 0.00 N ATOM 1907 CA HIS A 115 19.391 7.573 -3.823 1.00 0.00 C ATOM 1908 C HIS A 115 20.814 8.063 -3.561 1.00 0.00 C ATOM 1909 O HIS A 115 21.633 8.117 -4.477 1.00 0.00 O ATOM 1910 CB HIS A 115 18.904 8.037 -5.206 1.00 0.00 C ATOM 1911 CG HIS A 115 18.959 9.518 -5.439 1.00 0.00 C ATOM 1912 ND1 HIS A 115 19.965 10.125 -6.156 1.00 0.00 N ATOM 1913 CD2 HIS A 115 18.111 10.506 -5.075 1.00 0.00 C ATOM 1914 CE1 HIS A 115 19.735 11.423 -6.222 1.00 0.00 C ATOM 1915 NE2 HIS A 115 18.614 11.679 -5.573 1.00 0.00 N ATOM 0 H HIS A 115 18.299 8.973 -2.681 1.00 0.00 H new ATOM 0 HA HIS A 115 19.421 6.483 -3.813 1.00 0.00 H new ATOM 0 HB2 HIS A 115 19.505 7.543 -5.970 1.00 0.00 H new ATOM 0 HB3 HIS A 115 17.876 7.702 -5.343 1.00 0.00 H new ATOM 0 HD2 HIS A 115 17.205 10.392 -4.498 1.00 0.00 H new ATOM 0 HE1 HIS A 115 20.357 12.151 -6.721 1.00 0.00 H new ATOM 0 HE2 HIS A 115 18.191 12.600 -5.461 1.00 0.00 H new ATOM 1924 N HIS A 116 21.127 8.396 -2.320 1.00 0.00 N ATOM 1925 CA HIS A 116 22.500 8.739 -1.984 1.00 0.00 C ATOM 1926 C HIS A 116 23.080 7.724 -1.009 1.00 0.00 C ATOM 1927 O HIS A 116 23.177 7.978 0.190 1.00 0.00 O ATOM 1928 CB HIS A 116 22.622 10.159 -1.419 1.00 0.00 C ATOM 1929 CG HIS A 116 24.048 10.607 -1.241 1.00 0.00 C ATOM 1930 ND1 HIS A 116 24.422 11.637 -0.406 1.00 0.00 N ATOM 1931 CD2 HIS A 116 25.196 10.152 -1.804 1.00 0.00 C ATOM 1932 CE1 HIS A 116 25.732 11.794 -0.462 1.00 0.00 C ATOM 1933 NE2 HIS A 116 26.225 10.905 -1.304 1.00 0.00 N ATOM 0 H HIS A 116 20.467 8.436 -1.544 1.00 0.00 H new ATOM 0 HA HIS A 116 23.075 8.711 -2.910 1.00 0.00 H new ATOM 0 HB2 HIS A 116 22.111 10.853 -2.086 1.00 0.00 H new ATOM 0 HB3 HIS A 116 22.111 10.205 -0.457 1.00 0.00 H new ATOM 0 HD2 HIS A 116 25.282 9.344 -2.516 1.00 0.00 H new ATOM 0 HE1 HIS A 116 26.304 12.526 0.088 1.00 0.00 H new ATOM 0 HE2 HIS A 116 27.211 10.797 -1.543 1.00 0.00 H new ATOM 1942 N HIS A 117 23.413 6.557 -1.541 1.00 0.00 N ATOM 1943 CA HIS A 117 24.141 5.530 -0.800 1.00 0.00 C ATOM 1944 C HIS A 117 25.169 4.893 -1.716 1.00 0.00 C ATOM 1945 O HIS A 117 26.246 4.479 -1.288 1.00 0.00 O ATOM 1946 CB HIS A 117 23.199 4.451 -0.253 1.00 0.00 C ATOM 1947 CG HIS A 117 22.386 4.890 0.924 1.00 0.00 C ATOM 1948 ND1 HIS A 117 21.050 4.593 1.072 1.00 0.00 N ATOM 1949 CD2 HIS A 117 22.735 5.593 2.026 1.00 0.00 C ATOM 1950 CE1 HIS A 117 20.611 5.103 2.206 1.00 0.00 C ATOM 1951 NE2 HIS A 117 21.615 5.713 2.808 1.00 0.00 N ATOM 0 H HIS A 117 23.187 6.292 -2.500 1.00 0.00 H new ATOM 0 HA HIS A 117 24.631 6.004 0.050 1.00 0.00 H new ATOM 0 HB2 HIS A 117 22.525 4.135 -1.049 1.00 0.00 H new ATOM 0 HB3 HIS A 117 23.788 3.579 0.031 1.00 0.00 H new ATOM 0 HD2 HIS A 117 23.715 5.987 2.249 1.00 0.00 H new ATOM 0 HE1 HIS A 117 19.600 5.033 2.579 1.00 0.00 H new ATOM 0 HE2 HIS A 117 21.566 6.194 3.706 1.00 0.00 H new ATOM 1960 N HIS A 118 24.815 4.818 -2.988 1.00 0.00 N ATOM 1961 CA HIS A 118 25.699 4.313 -4.015 1.00 0.00 C ATOM 1962 C HIS A 118 25.433 5.061 -5.312 1.00 0.00 C ATOM 1963 O HIS A 118 24.480 4.687 -6.020 1.00 0.00 O ATOM 1964 CB HIS A 118 25.485 2.810 -4.212 1.00 0.00 C ATOM 1965 CG HIS A 118 26.344 2.217 -5.286 1.00 0.00 C ATOM 1966 ND1 HIS A 118 27.703 2.046 -5.152 1.00 0.00 N ATOM 1967 CD2 HIS A 118 26.029 1.753 -6.518 1.00 0.00 C ATOM 1968 CE1 HIS A 118 28.188 1.507 -6.252 1.00 0.00 C ATOM 1969 NE2 HIS A 118 27.191 1.317 -7.097 1.00 0.00 N ATOM 1970 OXT HIS A 118 26.162 6.024 -5.602 1.00 0.00 O ATOM 0 H HIS A 118 23.901 5.108 -3.335 1.00 0.00 H new ATOM 0 HA HIS A 118 26.734 4.470 -3.712 1.00 0.00 H new ATOM 0 HB2 HIS A 118 25.687 2.297 -3.272 1.00 0.00 H new ATOM 0 HB3 HIS A 118 24.438 2.629 -4.455 1.00 0.00 H new ATOM 0 HD2 HIS A 118 25.045 1.731 -6.962 1.00 0.00 H new ATOM 0 HE1 HIS A 118 29.224 1.262 -6.432 1.00 0.00 H new ATOM 0 HE2 HIS A 118 27.273 0.911 -8.029 1.00 0.00 H new TER 1979 HIS A 118