USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 771 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 26 TYR OH : rot 49:sc= -1.27! USER MOD Set 1.2: A 40 GLN : amide:sc= 1.86 K(o=0.59,f=-6.3!) USER MOD Set 2.1: A 6 HIS : no HE2:sc= 0.937 K(o=1.9,f=-9.4!) USER MOD Set 2.2: A 36 TYR OH : rot 30:sc= 0.916 USER MOD Single : A 9 SER OG : rot 102:sc= 1.19 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -3 MET CE :methyl 173:sc= -2.87 (180deg=-2.91) USER MOD Single : A -6 GLN : amide:sc= -0.308 X(o=-0.31,f=0) USER MOD Single : A -8 TYR OH : rot 180:sc= -0.714 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 13 GLN : amide:sc= -0.032 K(o=-0.032,f=-1.6!) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 100:sc= 0.385 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0.948 K(o=0.95,f=-5.6!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.193 K(o=-0.19,f=-7.3!) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ -149:sc= 1.17 (180deg=0.637) USER MOD Single : A 43 SER OG : rot 86:sc= 1.08 USER MOD Single : A 44 SER OG : rot -97:sc= 1.25 USER MOD Single : A 45 GLN : amide:sc= -0.32 X(o=-0.32,f=-0.34) USER MOD Single : A 47 GLN : amide:sc= 0.1 K(o=0.1,f=-9.3!) USER MOD Single : A 58 MET CE :methyl 148:sc= -4.08! (180deg=-5.45!) USER MOD Single : A 60 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.0428) USER MOD Single : A 61 SER OG : rot -59:sc= 0.075 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 71 SER OG : rot 140:sc= -0.612 USER MOD Single : A 72 SER OG : rot 180:sc= 0.25 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.00402 USER MOD Single : A 78 SER OG : rot 180:sc= 0.0129 USER MOD Single : A 79 SER OG : rot 180:sc= 0.176 USER MOD Single : A -10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A -12 THR OG1 : rot 180:sc= 0.0667 USER MOD Single : A -13 THR OG1 : rot 51:sc= 0.213 USER MOD Single : A -17 TYR OH : rot 180:sc= 0 USER MOD Single : A -19 HIS : no HE2:sc= -1.2 K(o=-1.2,f=-2.9!) USER MOD Single : A -20 HIS : no HE2:sc= -0.342 K(o=-0.34,f=-7!) USER MOD Single : A -21 HIS : no HD1:sc= -0.192 X(o=-0.19,f=-0.43) USER MOD Single : A -22 HIS :FLIP no HD1:sc= -0.949 F(o=-2,f=-0.95) USER MOD Single : A -23 HIS : no HD1:sc= -0.268 X(o=-0.27,f=-0.12) USER MOD Single : A -24 HIS : no HD1:sc= -0.214 X(o=-0.21,f=-0.038) USER MOD Single : A -25 TYR OH : rot 180:sc= 0 USER MOD Single : A -26 TYR OH : rot 180:sc= 0 USER MOD Single : A -27 SER N :NH3+ -148:sc= 0.567 (180deg=0.0824) USER MOD Single : A -27 SER OG : rot 180:sc= 0.187 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A -27 -41.153 36.616 -37.195 1.00 0.00 N ATOM 2 CA SER A -27 -41.188 35.768 -35.966 1.00 0.00 C ATOM 3 C SER A -27 -40.549 34.404 -36.240 1.00 0.00 C ATOM 4 O SER A -27 -39.722 33.940 -35.478 1.00 0.00 O ATOM 5 CB SER A -27 -42.673 35.607 -35.621 1.00 0.00 C ATOM 6 OG SER A -27 -43.452 35.717 -36.812 1.00 0.00 O ATOM 0 H1 SER A -27 -41.060 37.616 -36.924 1.00 0.00 H new ATOM 0 H2 SER A -27 -40.342 36.340 -37.784 1.00 0.00 H new ATOM 0 H3 SER A -27 -42.033 36.484 -37.733 1.00 0.00 H new ATOM 0 HA SER A -27 -40.631 36.220 -35.146 1.00 0.00 H new ATOM 0 HB2 SER A -27 -42.845 34.640 -35.149 1.00 0.00 H new ATOM 0 HB3 SER A -27 -42.976 36.370 -34.904 1.00 0.00 H new ATOM 0 HG SER A -27 -44.401 35.612 -36.593 1.00 0.00 H new ATOM 14 N TYR A -26 -40.927 33.758 -37.324 1.00 0.00 N ATOM 15 CA TYR A -26 -40.354 32.413 -37.664 1.00 0.00 C ATOM 16 C TYR A -26 -40.645 31.425 -36.532 1.00 0.00 C ATOM 17 O TYR A -26 -39.908 31.346 -35.566 1.00 0.00 O ATOM 18 CB TYR A -26 -38.838 32.614 -37.820 1.00 0.00 C ATOM 19 CG TYR A -26 -38.533 33.393 -39.077 1.00 0.00 C ATOM 20 CD1 TYR A -26 -38.739 32.811 -40.332 1.00 0.00 C ATOM 21 CD2 TYR A -26 -38.030 34.695 -38.985 1.00 0.00 C ATOM 22 CE1 TYR A -26 -38.443 33.531 -41.496 1.00 0.00 C ATOM 23 CE2 TYR A -26 -37.732 35.415 -40.146 1.00 0.00 C ATOM 24 CZ TYR A -26 -37.938 34.836 -41.404 1.00 0.00 C ATOM 25 OH TYR A -26 -37.641 35.556 -42.548 1.00 0.00 O ATOM 0 H TYR A -26 -41.613 34.110 -37.992 1.00 0.00 H new ATOM 0 HA TYR A -26 -40.792 32.010 -38.577 1.00 0.00 H new ATOM 0 HB2 TYR A -26 -38.445 33.144 -36.953 1.00 0.00 H new ATOM 0 HB3 TYR A -26 -38.339 31.646 -37.855 1.00 0.00 H new ATOM 0 HD1 TYR A -26 -39.127 31.806 -40.403 1.00 0.00 H new ATOM 0 HD2 TYR A -26 -37.872 35.145 -38.016 1.00 0.00 H new ATOM 0 HE1 TYR A -26 -38.604 33.081 -42.465 1.00 0.00 H new ATOM 0 HE2 TYR A -26 -37.342 36.420 -40.072 1.00 0.00 H new ATOM 0 HH TYR A -26 -37.302 36.441 -42.299 1.00 0.00 H new ATOM 35 N TYR A -25 -41.707 30.670 -36.636 1.00 0.00 N ATOM 36 CA TYR A -25 -42.044 29.685 -35.557 1.00 0.00 C ATOM 37 C TYR A -25 -41.042 28.519 -35.556 1.00 0.00 C ATOM 38 O TYR A -25 -41.421 27.361 -35.623 1.00 0.00 O ATOM 39 CB TYR A -25 -43.452 29.181 -35.892 1.00 0.00 C ATOM 40 CG TYR A -25 -44.481 30.197 -35.448 1.00 0.00 C ATOM 41 CD1 TYR A -25 -44.809 30.317 -34.092 1.00 0.00 C ATOM 42 CD2 TYR A -25 -45.106 31.020 -36.395 1.00 0.00 C ATOM 43 CE1 TYR A -25 -45.760 31.260 -33.682 1.00 0.00 C ATOM 44 CE2 TYR A -25 -46.056 31.963 -35.981 1.00 0.00 C ATOM 45 CZ TYR A -25 -46.382 32.081 -34.626 1.00 0.00 C ATOM 46 OH TYR A -25 -47.318 33.008 -34.220 1.00 0.00 O ATOM 0 H TYR A -25 -42.358 30.690 -37.421 1.00 0.00 H new ATOM 0 HA TYR A -25 -41.999 30.139 -34.567 1.00 0.00 H new ATOM 0 HB2 TYR A -25 -43.540 29.006 -36.964 1.00 0.00 H new ATOM 0 HB3 TYR A -25 -43.633 28.227 -35.398 1.00 0.00 H new ATOM 0 HD1 TYR A -25 -44.329 29.682 -33.362 1.00 0.00 H new ATOM 0 HD2 TYR A -25 -44.856 30.927 -37.442 1.00 0.00 H new ATOM 0 HE1 TYR A -25 -46.013 31.353 -32.636 1.00 0.00 H new ATOM 0 HE2 TYR A -25 -46.537 32.599 -36.709 1.00 0.00 H new ATOM 0 HH TYR A -25 -47.653 33.498 -35.000 1.00 0.00 H new ATOM 56 N HIS A -24 -39.772 28.807 -35.469 1.00 0.00 N ATOM 57 CA HIS A -24 -38.757 27.718 -35.452 1.00 0.00 C ATOM 58 C HIS A -24 -38.291 27.506 -34.020 1.00 0.00 C ATOM 59 O HIS A -24 -37.712 28.390 -33.416 1.00 0.00 O ATOM 60 CB HIS A -24 -37.606 28.213 -36.333 1.00 0.00 C ATOM 61 CG HIS A -24 -37.896 27.897 -37.776 1.00 0.00 C ATOM 62 ND1 HIS A -24 -37.465 28.716 -38.805 1.00 0.00 N ATOM 63 CD2 HIS A -24 -38.566 26.859 -38.378 1.00 0.00 C ATOM 64 CE1 HIS A -24 -37.877 28.166 -39.960 1.00 0.00 C ATOM 65 NE2 HIS A -24 -38.554 27.033 -39.757 1.00 0.00 N ATOM 0 H HIS A -24 -39.394 29.752 -35.409 1.00 0.00 H new ATOM 0 HA HIS A -24 -39.147 26.769 -35.820 1.00 0.00 H new ATOM 0 HB2 HIS A -24 -37.475 29.288 -36.206 1.00 0.00 H new ATOM 0 HB3 HIS A -24 -36.673 27.740 -36.028 1.00 0.00 H new ATOM 0 HD2 HIS A -24 -39.031 26.034 -37.859 1.00 0.00 H new ATOM 0 HE1 HIS A -24 -37.684 28.589 -40.935 1.00 0.00 H new ATOM 0 HE2 HIS A -24 -38.972 26.426 -40.462 1.00 0.00 H new ATOM 73 N HIS A -23 -38.552 26.350 -33.465 1.00 0.00 N ATOM 74 CA HIS A -23 -38.139 26.070 -32.059 1.00 0.00 C ATOM 75 C HIS A -23 -38.544 27.221 -31.133 1.00 0.00 C ATOM 76 O HIS A -23 -37.742 27.722 -30.370 1.00 0.00 O ATOM 77 CB HIS A -23 -36.616 25.918 -32.101 1.00 0.00 C ATOM 78 CG HIS A -23 -36.260 24.460 -32.223 1.00 0.00 C ATOM 79 ND1 HIS A -23 -35.200 24.019 -33.000 1.00 0.00 N ATOM 80 CD2 HIS A -23 -36.821 23.331 -31.682 1.00 0.00 C ATOM 81 CE1 HIS A -23 -35.159 22.680 -32.905 1.00 0.00 C ATOM 82 NE2 HIS A -23 -36.125 22.210 -32.115 1.00 0.00 N ATOM 0 H HIS A -23 -39.037 25.583 -33.930 1.00 0.00 H new ATOM 0 HA HIS A -23 -38.623 25.174 -31.669 1.00 0.00 H new ATOM 0 HB2 HIS A -23 -36.207 26.475 -32.944 1.00 0.00 H new ATOM 0 HB3 HIS A -23 -36.173 26.337 -31.198 1.00 0.00 H new ATOM 0 HD2 HIS A -23 -37.674 23.316 -31.020 1.00 0.00 H new ATOM 0 HE1 HIS A -23 -34.432 22.059 -33.407 1.00 0.00 H new ATOM 0 HE2 HIS A -23 -36.313 21.236 -31.879 1.00 0.00 H new ATOM 90 N HIS A -22 -39.783 27.637 -31.181 1.00 0.00 N ATOM 91 CA HIS A -22 -40.232 28.741 -30.278 1.00 0.00 C ATOM 92 C HIS A -22 -40.158 28.241 -28.832 1.00 0.00 C ATOM 93 O HIS A -22 -39.652 28.915 -27.953 1.00 0.00 O ATOM 94 CB HIS A -22 -41.676 29.058 -30.685 1.00 0.00 C ATOM 95 CG HIS A -22 -41.700 30.301 -31.541 1.00 0.00 C ATOM 96 ND1 HIS A -22 -42.648 31.279 -31.704 1.00 0.00 N flip ATOM 97 CD2 HIS A -22 -40.633 30.671 -32.349 1.00 0.00 C flip ATOM 98 CE1 HIS A -22 -42.180 32.241 -32.594 1.00 0.00 C flip ATOM 99 NE2 HIS A -22 -40.964 31.828 -32.951 1.00 0.00 N flip ATOM 0 H HIS A -22 -40.500 27.263 -31.802 1.00 0.00 H new ATOM 0 HA HIS A -22 -39.614 29.635 -30.356 1.00 0.00 H new ATOM 0 HB2 HIS A -22 -42.102 28.218 -31.234 1.00 0.00 H new ATOM 0 HB3 HIS A -22 -42.291 29.204 -29.797 1.00 0.00 H new ATOM 0 HD2 HIS A -22 -39.707 30.129 -32.472 1.00 0.00 H new ATOM 0 HE1 HIS A -22 -42.693 33.132 -32.925 1.00 0.00 H new ATOM 0 HE2 HIS A -22 -40.358 32.328 -33.601 1.00 0.00 H new ATOM 107 N HIS A -21 -40.614 27.037 -28.597 1.00 0.00 N ATOM 108 CA HIS A -21 -40.534 26.450 -27.229 1.00 0.00 C ATOM 109 C HIS A -21 -39.221 25.664 -27.134 1.00 0.00 C ATOM 110 O HIS A -21 -39.203 24.474 -26.867 1.00 0.00 O ATOM 111 CB HIS A -21 -41.754 25.526 -27.119 1.00 0.00 C ATOM 112 CG HIS A -21 -42.063 25.231 -25.674 1.00 0.00 C ATOM 113 ND1 HIS A -21 -42.012 26.200 -24.682 1.00 0.00 N ATOM 114 CD2 HIS A -21 -42.451 24.073 -25.044 1.00 0.00 C ATOM 115 CE1 HIS A -21 -42.361 25.611 -23.523 1.00 0.00 C ATOM 116 NE2 HIS A -21 -42.638 24.315 -23.689 1.00 0.00 N ATOM 0 H HIS A -21 -41.041 26.433 -29.300 1.00 0.00 H new ATOM 0 HA HIS A -21 -40.542 27.188 -26.427 1.00 0.00 H new ATOM 0 HB2 HIS A -21 -42.616 25.994 -27.593 1.00 0.00 H new ATOM 0 HB3 HIS A -21 -41.562 24.596 -27.654 1.00 0.00 H new ATOM 0 HD2 HIS A -21 -42.590 23.118 -25.529 1.00 0.00 H new ATOM 0 HE1 HIS A -21 -42.411 26.124 -22.574 1.00 0.00 H new ATOM 0 HE2 HIS A -21 -42.925 23.646 -22.974 1.00 0.00 H new ATOM 124 N HIS A -20 -38.118 26.324 -27.388 1.00 0.00 N ATOM 125 CA HIS A -20 -36.792 25.631 -27.352 1.00 0.00 C ATOM 126 C HIS A -20 -36.360 25.345 -25.915 1.00 0.00 C ATOM 127 O HIS A -20 -35.783 26.184 -25.246 1.00 0.00 O ATOM 128 CB HIS A -20 -35.770 26.555 -28.056 1.00 0.00 C ATOM 129 CG HIS A -20 -35.959 28.004 -27.667 1.00 0.00 C ATOM 130 ND1 HIS A -20 -36.578 28.919 -28.505 1.00 0.00 N ATOM 131 CD2 HIS A -20 -35.601 28.709 -26.545 1.00 0.00 C ATOM 132 CE1 HIS A -20 -36.573 30.110 -27.881 1.00 0.00 C ATOM 133 NE2 HIS A -20 -35.991 30.038 -26.682 1.00 0.00 N ATOM 0 H HIS A -20 -38.078 27.317 -27.620 1.00 0.00 H new ATOM 0 HA HIS A -20 -36.855 24.669 -27.861 1.00 0.00 H new ATOM 0 HB2 HIS A -20 -34.759 26.239 -27.800 1.00 0.00 H new ATOM 0 HB3 HIS A -20 -35.872 26.453 -29.136 1.00 0.00 H new ATOM 0 HD1 HIS A -20 -36.967 28.724 -29.428 1.00 0.00 H new ATOM 0 HD2 HIS A -20 -35.094 28.295 -25.686 1.00 0.00 H new ATOM 0 HE1 HIS A -20 -36.989 31.015 -28.299 1.00 0.00 H new ATOM 141 N HIS A -19 -36.611 24.153 -25.448 1.00 0.00 N ATOM 142 CA HIS A -19 -36.192 23.786 -24.065 1.00 0.00 C ATOM 143 C HIS A -19 -34.677 23.578 -24.057 1.00 0.00 C ATOM 144 O HIS A -19 -34.137 22.868 -24.890 1.00 0.00 O ATOM 145 CB HIS A -19 -36.933 22.477 -23.745 1.00 0.00 C ATOM 146 CG HIS A -19 -36.221 21.733 -22.647 1.00 0.00 C ATOM 147 ND1 HIS A -19 -35.053 21.022 -22.877 1.00 0.00 N ATOM 148 CD2 HIS A -19 -36.486 21.593 -21.309 1.00 0.00 C ATOM 149 CE1 HIS A -19 -34.663 20.493 -21.704 1.00 0.00 C ATOM 150 NE2 HIS A -19 -35.502 20.810 -20.716 1.00 0.00 N ATOM 0 H HIS A -19 -37.089 23.415 -25.965 1.00 0.00 H new ATOM 0 HA HIS A -19 -36.428 24.552 -23.326 1.00 0.00 H new ATOM 0 HB2 HIS A -19 -37.957 22.695 -23.442 1.00 0.00 H new ATOM 0 HB3 HIS A -19 -36.990 21.855 -24.638 1.00 0.00 H new ATOM 0 HD1 HIS A -19 -34.576 20.919 -23.773 1.00 0.00 H new ATOM 0 HD2 HIS A -19 -37.331 22.025 -20.794 1.00 0.00 H new ATOM 0 HE1 HIS A -19 -33.779 19.886 -21.577 1.00 0.00 H new ATOM 158 N ASP A -18 -33.993 24.182 -23.132 1.00 0.00 N ATOM 159 CA ASP A -18 -32.512 24.012 -23.067 1.00 0.00 C ATOM 160 C ASP A -18 -32.156 23.146 -21.857 1.00 0.00 C ATOM 161 O ASP A -18 -32.700 23.328 -20.785 1.00 0.00 O ATOM 162 CB ASP A -18 -31.947 25.428 -22.903 1.00 0.00 C ATOM 163 CG ASP A -18 -30.433 25.410 -23.107 1.00 0.00 C ATOM 164 OD1 ASP A -18 -29.991 24.883 -24.109 1.00 0.00 O ATOM 165 OD2 ASP A -18 -29.737 25.937 -22.258 1.00 0.00 O ATOM 0 H ASP A -18 -34.392 24.788 -22.415 1.00 0.00 H new ATOM 0 HA ASP A -18 -32.106 23.523 -23.953 1.00 0.00 H new ATOM 0 HB2 ASP A -18 -32.412 26.100 -23.624 1.00 0.00 H new ATOM 0 HB3 ASP A -18 -32.185 25.811 -21.911 1.00 0.00 H new ATOM 170 N TYR A -17 -31.255 22.217 -22.006 1.00 0.00 N ATOM 171 CA TYR A -17 -30.888 21.362 -20.839 1.00 0.00 C ATOM 172 C TYR A -17 -30.104 22.191 -19.818 1.00 0.00 C ATOM 173 O TYR A -17 -29.472 23.176 -20.154 1.00 0.00 O ATOM 174 CB TYR A -17 -30.036 20.225 -21.409 1.00 0.00 C ATOM 175 CG TYR A -17 -30.895 18.989 -21.551 1.00 0.00 C ATOM 176 CD1 TYR A -17 -31.626 18.770 -22.727 1.00 0.00 C ATOM 177 CD2 TYR A -17 -30.975 18.068 -20.500 1.00 0.00 C ATOM 178 CE1 TYR A -17 -32.428 17.629 -22.849 1.00 0.00 C ATOM 179 CE2 TYR A -17 -31.780 16.931 -20.622 1.00 0.00 C ATOM 180 CZ TYR A -17 -32.507 16.709 -21.796 1.00 0.00 C ATOM 181 OH TYR A -17 -33.310 15.592 -21.919 1.00 0.00 O ATOM 0 H TYR A -17 -30.760 22.012 -22.874 1.00 0.00 H new ATOM 0 HA TYR A -17 -31.762 20.967 -20.321 1.00 0.00 H new ATOM 0 HB2 TYR A -17 -29.625 20.511 -22.377 1.00 0.00 H new ATOM 0 HB3 TYR A -17 -29.190 20.022 -20.752 1.00 0.00 H new ATOM 0 HD1 TYR A -17 -31.571 19.481 -23.538 1.00 0.00 H new ATOM 0 HD2 TYR A -17 -30.414 18.236 -19.593 1.00 0.00 H new ATOM 0 HE1 TYR A -17 -32.987 17.458 -23.757 1.00 0.00 H new ATOM 0 HE2 TYR A -17 -31.840 16.223 -19.808 1.00 0.00 H new ATOM 0 HH TYR A -17 -33.252 15.056 -21.101 1.00 0.00 H new ATOM 191 N ASP A -16 -30.152 21.805 -18.574 1.00 0.00 N ATOM 192 CA ASP A -16 -29.427 22.559 -17.515 1.00 0.00 C ATOM 193 C ASP A -16 -27.989 22.046 -17.417 1.00 0.00 C ATOM 194 O ASP A -16 -27.348 21.778 -18.420 1.00 0.00 O ATOM 195 CB ASP A -16 -30.215 22.263 -16.232 1.00 0.00 C ATOM 196 CG ASP A -16 -30.074 23.432 -15.263 1.00 0.00 C ATOM 197 OD1 ASP A -16 -30.744 24.427 -15.465 1.00 0.00 O ATOM 198 OD2 ASP A -16 -29.302 23.311 -14.331 1.00 0.00 O ATOM 0 H ASP A -16 -30.668 20.990 -18.243 1.00 0.00 H new ATOM 0 HA ASP A -16 -29.364 23.630 -17.710 1.00 0.00 H new ATOM 0 HB2 ASP A -16 -31.266 22.099 -16.469 1.00 0.00 H new ATOM 0 HB3 ASP A -16 -29.846 21.348 -15.769 1.00 0.00 H new ATOM 203 N ILE A -15 -27.485 21.904 -16.227 1.00 0.00 N ATOM 204 CA ILE A -15 -26.096 21.397 -16.052 1.00 0.00 C ATOM 205 C ILE A -15 -26.138 20.089 -15.254 1.00 0.00 C ATOM 206 O ILE A -15 -26.589 20.066 -14.122 1.00 0.00 O ATOM 207 CB ILE A -15 -25.353 22.490 -15.273 1.00 0.00 C ATOM 208 CG1 ILE A -15 -25.460 23.827 -16.018 1.00 0.00 C ATOM 209 CG2 ILE A -15 -23.878 22.105 -15.140 1.00 0.00 C ATOM 210 CD1 ILE A -15 -24.618 24.887 -15.297 1.00 0.00 C ATOM 0 H ILE A -15 -27.978 22.119 -15.360 1.00 0.00 H new ATOM 0 HA ILE A -15 -25.600 21.189 -17.000 1.00 0.00 H new ATOM 0 HB ILE A -15 -25.800 22.591 -14.284 1.00 0.00 H new ATOM 0 HG12 ILE A -15 -25.115 23.711 -17.045 1.00 0.00 H new ATOM 0 HG13 ILE A -15 -26.501 24.146 -16.066 1.00 0.00 H new ATOM 0 HG21 ILE A -15 -23.348 22.880 -14.587 1.00 0.00 H new ATOM 0 HG22 ILE A -15 -23.796 21.158 -14.607 1.00 0.00 H new ATOM 0 HG23 ILE A -15 -23.438 22.002 -16.132 1.00 0.00 H new ATOM 0 HD11 ILE A -15 -24.695 25.836 -15.828 1.00 0.00 H new ATOM 0 HD12 ILE A -15 -24.984 25.011 -14.278 1.00 0.00 H new ATOM 0 HD13 ILE A -15 -23.576 24.569 -15.273 1.00 0.00 H new ATOM 222 N PRO A -14 -25.678 19.034 -15.875 1.00 0.00 N ATOM 223 CA PRO A -14 -25.666 17.702 -15.217 1.00 0.00 C ATOM 224 C PRO A -14 -24.684 17.699 -14.048 1.00 0.00 C ATOM 225 O PRO A -14 -23.495 17.898 -14.229 1.00 0.00 O ATOM 226 CB PRO A -14 -25.219 16.753 -16.326 1.00 0.00 C ATOM 227 CG PRO A -14 -24.467 17.620 -17.286 1.00 0.00 C ATOM 228 CD PRO A -14 -25.107 18.979 -17.228 1.00 0.00 C ATOM 0 HA PRO A -14 -26.631 17.418 -14.797 1.00 0.00 H new ATOM 0 HB2 PRO A -14 -24.588 15.955 -15.934 1.00 0.00 H new ATOM 0 HB3 PRO A -14 -26.073 16.276 -16.808 1.00 0.00 H new ATOM 0 HG2 PRO A -14 -23.413 17.676 -17.014 1.00 0.00 H new ATOM 0 HG3 PRO A -14 -24.514 17.212 -18.296 1.00 0.00 H new ATOM 0 HD2 PRO A -14 -24.378 19.773 -17.388 1.00 0.00 H new ATOM 0 HD3 PRO A -14 -25.875 19.093 -17.993 1.00 0.00 H new ATOM 236 N THR A -13 -25.163 17.486 -12.855 1.00 0.00 N ATOM 237 CA THR A -13 -24.249 17.484 -11.683 1.00 0.00 C ATOM 238 C THR A -13 -23.591 16.113 -11.509 1.00 0.00 C ATOM 239 O THR A -13 -24.179 15.183 -10.984 1.00 0.00 O ATOM 240 CB THR A -13 -25.109 17.815 -10.479 1.00 0.00 C ATOM 241 OG1 THR A -13 -26.328 17.080 -10.529 1.00 0.00 O ATOM 242 CG2 THR A -13 -25.413 19.314 -10.460 1.00 0.00 C ATOM 0 H THR A -13 -26.146 17.314 -12.642 1.00 0.00 H new ATOM 0 HA THR A -13 -23.444 18.208 -11.811 1.00 0.00 H new ATOM 0 HB THR A -13 -24.568 17.542 -9.573 1.00 0.00 H new ATOM 0 HG1 THR A -13 -26.132 16.130 -10.672 1.00 0.00 H new ATOM 0 HG21 THR A -13 -26.031 19.549 -9.594 1.00 0.00 H new ATOM 0 HG22 THR A -13 -24.480 19.874 -10.402 1.00 0.00 H new ATOM 0 HG23 THR A -13 -25.945 19.589 -11.371 1.00 0.00 H new ATOM 250 N THR A -12 -22.376 16.001 -11.939 1.00 0.00 N ATOM 251 CA THR A -12 -21.617 14.718 -11.807 1.00 0.00 C ATOM 252 C THR A -12 -20.618 14.840 -10.659 1.00 0.00 C ATOM 253 O THR A -12 -20.381 13.910 -9.909 1.00 0.00 O ATOM 254 CB THR A -12 -20.882 14.558 -13.139 1.00 0.00 C ATOM 255 OG1 THR A -12 -20.357 15.818 -13.546 1.00 0.00 O ATOM 256 CG2 THR A -12 -21.861 14.059 -14.190 1.00 0.00 C ATOM 0 H THR A -12 -21.857 16.756 -12.388 1.00 0.00 H new ATOM 0 HA THR A -12 -22.261 13.864 -11.595 1.00 0.00 H new ATOM 0 HB THR A -12 -20.066 13.844 -13.024 1.00 0.00 H new ATOM 0 HG1 THR A -12 -19.885 15.716 -14.399 1.00 0.00 H new ATOM 0 HG21 THR A -12 -21.344 13.943 -15.143 1.00 0.00 H new ATOM 0 HG22 THR A -12 -22.270 13.098 -13.879 1.00 0.00 H new ATOM 0 HG23 THR A -12 -22.672 14.779 -14.303 1.00 0.00 H new ATOM 264 N GLU A -11 -20.031 16.001 -10.533 1.00 0.00 N ATOM 265 CA GLU A -11 -19.019 16.254 -9.455 1.00 0.00 C ATOM 266 C GLU A -11 -19.577 15.894 -8.079 1.00 0.00 C ATOM 267 O GLU A -11 -18.840 15.633 -7.145 1.00 0.00 O ATOM 268 CB GLU A -11 -18.699 17.754 -9.526 1.00 0.00 C ATOM 269 CG GLU A -11 -18.371 18.156 -10.969 1.00 0.00 C ATOM 270 CD GLU A -11 -19.514 18.989 -11.539 1.00 0.00 C ATOM 271 OE1 GLU A -11 -20.529 18.411 -11.883 1.00 0.00 O ATOM 272 OE2 GLU A -11 -19.363 20.193 -11.606 1.00 0.00 O ATOM 0 H GLU A -11 -20.211 16.801 -11.140 1.00 0.00 H new ATOM 0 HA GLU A -11 -18.129 15.641 -9.600 1.00 0.00 H new ATOM 0 HB2 GLU A -11 -19.549 18.332 -9.164 1.00 0.00 H new ATOM 0 HB3 GLU A -11 -17.855 17.985 -8.875 1.00 0.00 H new ATOM 0 HG2 GLU A -11 -17.443 18.727 -10.996 1.00 0.00 H new ATOM 0 HG3 GLU A -11 -18.216 17.266 -11.579 1.00 0.00 H new ATOM 279 N ASN A -10 -20.869 15.862 -7.958 1.00 0.00 N ATOM 280 CA ASN A -10 -21.504 15.507 -6.652 1.00 0.00 C ATOM 281 C ASN A -10 -21.101 14.094 -6.225 1.00 0.00 C ATOM 282 O ASN A -10 -21.172 13.736 -5.064 1.00 0.00 O ATOM 283 CB ASN A -10 -23.012 15.594 -6.888 1.00 0.00 C ATOM 284 CG ASN A -10 -23.741 15.393 -5.556 1.00 0.00 C ATOM 285 OD1 ASN A -10 -24.238 14.319 -5.281 1.00 0.00 O ATOM 286 ND2 ASN A -10 -23.823 16.382 -4.709 1.00 0.00 N ATOM 0 H ASN A -10 -21.524 16.068 -8.712 1.00 0.00 H new ATOM 0 HA ASN A -10 -21.186 16.178 -5.854 1.00 0.00 H new ATOM 0 HB2 ASN A -10 -23.270 16.563 -7.315 1.00 0.00 H new ATOM 0 HB3 ASN A -10 -23.325 14.836 -7.606 1.00 0.00 H new ATOM 0 HD21 ASN A -10 -24.303 16.252 -3.819 1.00 0.00 H new ATOM 0 HD22 ASN A -10 -23.407 17.285 -4.937 1.00 0.00 H new ATOM 293 N LEU A -9 -20.660 13.303 -7.155 1.00 0.00 N ATOM 294 CA LEU A -9 -20.224 11.911 -6.838 1.00 0.00 C ATOM 295 C LEU A -9 -18.974 11.930 -5.949 1.00 0.00 C ATOM 296 O LEU A -9 -18.674 10.965 -5.272 1.00 0.00 O ATOM 297 CB LEU A -9 -19.906 11.282 -8.198 1.00 0.00 C ATOM 298 CG LEU A -9 -21.206 10.962 -8.939 1.00 0.00 C ATOM 299 CD1 LEU A -9 -20.897 10.685 -10.410 1.00 0.00 C ATOM 300 CD2 LEU A -9 -21.863 9.729 -8.314 1.00 0.00 C ATOM 0 H LEU A -9 -20.580 13.561 -8.138 1.00 0.00 H new ATOM 0 HA LEU A -9 -20.987 11.353 -6.294 1.00 0.00 H new ATOM 0 HB2 LEU A -9 -19.297 11.965 -8.791 1.00 0.00 H new ATOM 0 HB3 LEU A -9 -19.322 10.372 -8.060 1.00 0.00 H new ATOM 0 HG LEU A -9 -21.885 11.811 -8.863 1.00 0.00 H new ATOM 0 HD11 LEU A -9 -21.822 10.457 -10.939 1.00 0.00 H new ATOM 0 HD12 LEU A -9 -20.431 11.564 -10.856 1.00 0.00 H new ATOM 0 HD13 LEU A -9 -20.217 9.836 -10.485 1.00 0.00 H new ATOM 0 HD21 LEU A -9 -22.789 9.503 -8.843 1.00 0.00 H new ATOM 0 HD22 LEU A -9 -21.185 8.879 -8.388 1.00 0.00 H new ATOM 0 HD23 LEU A -9 -22.084 9.927 -7.265 1.00 0.00 H new ATOM 312 N TYR A -8 -18.236 13.013 -5.947 1.00 0.00 N ATOM 313 CA TYR A -8 -17.002 13.085 -5.102 1.00 0.00 C ATOM 314 C TYR A -8 -17.312 13.669 -3.717 1.00 0.00 C ATOM 315 O TYR A -8 -16.424 13.902 -2.919 1.00 0.00 O ATOM 316 CB TYR A -8 -16.031 13.985 -5.871 1.00 0.00 C ATOM 317 CG TYR A -8 -14.678 13.308 -5.964 1.00 0.00 C ATOM 318 CD1 TYR A -8 -14.493 12.211 -6.815 1.00 0.00 C ATOM 319 CD2 TYR A -8 -13.609 13.784 -5.198 1.00 0.00 C ATOM 320 CE1 TYR A -8 -13.241 11.588 -6.894 1.00 0.00 C ATOM 321 CE2 TYR A -8 -12.355 13.162 -5.280 1.00 0.00 C ATOM 322 CZ TYR A -8 -12.173 12.063 -6.128 1.00 0.00 C ATOM 323 OH TYR A -8 -10.936 11.451 -6.210 1.00 0.00 O ATOM 0 H TYR A -8 -18.434 13.851 -6.494 1.00 0.00 H new ATOM 0 HA TYR A -8 -16.581 12.095 -4.925 1.00 0.00 H new ATOM 0 HB2 TYR A -8 -16.418 14.186 -6.870 1.00 0.00 H new ATOM 0 HB3 TYR A -8 -15.934 14.947 -5.368 1.00 0.00 H new ATOM 0 HD1 TYR A -8 -15.316 11.845 -7.411 1.00 0.00 H new ATOM 0 HD2 TYR A -8 -13.749 14.631 -4.543 1.00 0.00 H new ATOM 0 HE1 TYR A -8 -13.101 10.740 -7.548 1.00 0.00 H new ATOM 0 HE2 TYR A -8 -11.530 13.531 -4.689 1.00 0.00 H new ATOM 0 HH TYR A -8 -10.306 11.906 -5.614 1.00 0.00 H new ATOM 333 N PHE A -7 -18.558 13.915 -3.431 1.00 0.00 N ATOM 334 CA PHE A -7 -18.929 14.495 -2.101 1.00 0.00 C ATOM 335 C PHE A -7 -18.848 13.426 -1.008 1.00 0.00 C ATOM 336 O PHE A -7 -18.104 13.559 -0.057 1.00 0.00 O ATOM 337 CB PHE A -7 -20.368 15.006 -2.253 1.00 0.00 C ATOM 338 CG PHE A -7 -20.359 16.371 -2.898 1.00 0.00 C ATOM 339 CD1 PHE A -7 -19.719 16.566 -4.128 1.00 0.00 C ATOM 340 CD2 PHE A -7 -20.995 17.444 -2.262 1.00 0.00 C ATOM 341 CE1 PHE A -7 -19.714 17.830 -4.722 1.00 0.00 C ATOM 342 CE2 PHE A -7 -20.989 18.711 -2.858 1.00 0.00 C ATOM 343 CZ PHE A -7 -20.348 18.903 -4.089 1.00 0.00 C ATOM 0 H PHE A -7 -19.342 13.741 -4.060 1.00 0.00 H new ATOM 0 HA PHE A -7 -18.250 15.297 -1.810 1.00 0.00 H new ATOM 0 HB2 PHE A -7 -20.949 14.311 -2.859 1.00 0.00 H new ATOM 0 HB3 PHE A -7 -20.851 15.058 -1.277 1.00 0.00 H new ATOM 0 HD1 PHE A -7 -19.229 15.738 -4.618 1.00 0.00 H new ATOM 0 HD2 PHE A -7 -21.489 17.295 -1.313 1.00 0.00 H new ATOM 0 HE1 PHE A -7 -19.220 17.978 -5.671 1.00 0.00 H new ATOM 0 HE2 PHE A -7 -21.478 19.540 -2.369 1.00 0.00 H new ATOM 0 HZ PHE A -7 -20.344 19.880 -4.549 1.00 0.00 H new ATOM 353 N GLN A -6 -19.600 12.364 -1.133 1.00 0.00 N ATOM 354 CA GLN A -6 -19.552 11.286 -0.095 1.00 0.00 C ATOM 355 C GLN A -6 -18.882 10.035 -0.659 1.00 0.00 C ATOM 356 O GLN A -6 -19.234 8.919 -0.324 1.00 0.00 O ATOM 357 CB GLN A -6 -21.009 11.007 0.280 1.00 0.00 C ATOM 358 CG GLN A -6 -21.441 11.983 1.372 1.00 0.00 C ATOM 359 CD GLN A -6 -21.359 11.287 2.735 1.00 0.00 C ATOM 360 OE1 GLN A -6 -22.354 11.146 3.416 1.00 0.00 O ATOM 361 NE2 GLN A -6 -20.211 10.839 3.167 1.00 0.00 N ATOM 0 H GLN A -6 -20.244 12.195 -1.906 1.00 0.00 H new ATOM 0 HA GLN A -6 -18.970 11.586 0.777 1.00 0.00 H new ATOM 0 HB2 GLN A -6 -21.650 11.115 -0.595 1.00 0.00 H new ATOM 0 HB3 GLN A -6 -21.117 9.980 0.629 1.00 0.00 H new ATOM 0 HG2 GLN A -6 -20.800 12.865 1.362 1.00 0.00 H new ATOM 0 HG3 GLN A -6 -22.459 12.326 1.187 1.00 0.00 H new ATOM 0 HE21 GLN A -6 -19.372 10.955 2.599 1.00 0.00 H new ATOM 0 HE22 GLN A -6 -20.153 10.373 4.073 1.00 0.00 H new ATOM 370 N GLY A -5 -17.911 10.210 -1.506 1.00 0.00 N ATOM 371 CA GLY A -5 -17.208 9.036 -2.086 1.00 0.00 C ATOM 372 C GLY A -5 -15.858 8.886 -1.396 1.00 0.00 C ATOM 373 O GLY A -5 -15.665 8.015 -0.566 1.00 0.00 O ATOM 0 H GLY A -5 -17.572 11.118 -1.823 1.00 0.00 H new ATOM 0 HA2 GLY A -5 -17.804 8.134 -1.950 1.00 0.00 H new ATOM 0 HA3 GLY A -5 -17.071 9.170 -3.159 1.00 0.00 H new ATOM 377 N ALA A -4 -14.919 9.727 -1.731 1.00 0.00 N ATOM 378 CA ALA A -4 -13.571 9.643 -1.094 1.00 0.00 C ATOM 379 C ALA A -4 -13.597 10.316 0.280 1.00 0.00 C ATOM 380 O ALA A -4 -14.585 10.915 0.665 1.00 0.00 O ATOM 381 CB ALA A -4 -12.635 10.401 -2.039 1.00 0.00 C ATOM 0 H ALA A -4 -15.026 10.471 -2.420 1.00 0.00 H new ATOM 0 HA ALA A -4 -13.250 8.612 -0.942 1.00 0.00 H new ATOM 0 HB1 ALA A -4 -11.621 10.384 -1.638 1.00 0.00 H new ATOM 0 HB2 ALA A -4 -12.645 9.926 -3.020 1.00 0.00 H new ATOM 0 HB3 ALA A -4 -12.971 11.434 -2.133 1.00 0.00 H new ATOM 387 N MET A -3 -12.514 10.246 1.011 1.00 0.00 N ATOM 388 CA MET A -3 -12.470 10.911 2.352 1.00 0.00 C ATOM 389 C MET A -3 -12.031 12.364 2.151 1.00 0.00 C ATOM 390 O MET A -3 -12.633 13.090 1.383 1.00 0.00 O ATOM 391 CB MET A -3 -11.444 10.117 3.183 1.00 0.00 C ATOM 392 CG MET A -3 -11.778 8.621 3.168 1.00 0.00 C ATOM 393 SD MET A -3 -11.619 7.942 4.843 1.00 0.00 S ATOM 394 CE MET A -3 -10.103 6.990 4.577 1.00 0.00 C ATOM 0 H MET A -3 -11.660 9.759 0.740 1.00 0.00 H new ATOM 0 HA MET A -3 -13.434 10.922 2.861 1.00 0.00 H new ATOM 0 HB2 MET A -3 -10.443 10.275 2.782 1.00 0.00 H new ATOM 0 HB3 MET A -3 -11.438 10.483 4.210 1.00 0.00 H new ATOM 0 HG2 MET A -3 -12.792 8.469 2.798 1.00 0.00 H new ATOM 0 HG3 MET A -3 -11.108 8.096 2.487 1.00 0.00 H new ATOM 0 HE1 MET A -3 -9.756 6.586 5.528 1.00 0.00 H new ATOM 0 HE2 MET A -3 -10.304 6.171 3.886 1.00 0.00 H new ATOM 0 HE3 MET A -3 -9.335 7.639 4.157 1.00 0.00 H new ATOM 404 N GLY A -2 -10.987 12.793 2.803 1.00 0.00 N ATOM 405 CA GLY A -2 -10.508 14.195 2.607 1.00 0.00 C ATOM 406 C GLY A -2 -9.918 14.322 1.197 1.00 0.00 C ATOM 407 O GLY A -2 -8.715 14.396 1.020 1.00 0.00 O ATOM 0 H GLY A -2 -10.443 12.237 3.463 1.00 0.00 H new ATOM 0 HA2 GLY A -2 -11.332 14.897 2.736 1.00 0.00 H new ATOM 0 HA3 GLY A -2 -9.756 14.445 3.355 1.00 0.00 H new ATOM 411 N SER A -1 -10.770 14.333 0.194 1.00 0.00 N ATOM 412 CA SER A -1 -10.319 14.440 -1.229 1.00 0.00 C ATOM 413 C SER A -1 -9.390 13.273 -1.617 1.00 0.00 C ATOM 414 O SER A -1 -8.698 13.338 -2.616 1.00 0.00 O ATOM 415 CB SER A -1 -9.572 15.774 -1.312 1.00 0.00 C ATOM 416 OG SER A -1 -10.506 16.852 -1.274 1.00 0.00 O ATOM 0 H SER A -1 -11.782 14.271 0.309 1.00 0.00 H new ATOM 0 HA SER A -1 -11.162 14.395 -1.918 1.00 0.00 H new ATOM 0 HB2 SER A -1 -8.869 15.860 -0.484 1.00 0.00 H new ATOM 0 HB3 SER A -1 -8.988 15.818 -2.231 1.00 0.00 H new ATOM 0 HG SER A -1 -10.024 17.704 -1.326 1.00 0.00 H new ATOM 422 N GLY A 1 -9.373 12.203 -0.855 1.00 0.00 N ATOM 423 CA GLY A 1 -8.484 11.053 -1.203 1.00 0.00 C ATOM 424 C GLY A 1 -9.325 9.912 -1.790 1.00 0.00 C ATOM 425 O GLY A 1 -10.190 9.382 -1.121 1.00 0.00 O ATOM 0 H GLY A 1 -9.934 12.079 -0.012 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.729 11.369 -1.922 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.954 10.708 -0.315 1.00 0.00 H new ATOM 429 N PRO A 2 -9.044 9.579 -3.032 1.00 0.00 N ATOM 430 CA PRO A 2 -9.789 8.496 -3.734 1.00 0.00 C ATOM 431 C PRO A 2 -9.321 7.090 -3.311 1.00 0.00 C ATOM 432 O PRO A 2 -10.032 6.124 -3.505 1.00 0.00 O ATOM 433 CB PRO A 2 -9.469 8.745 -5.205 1.00 0.00 C ATOM 434 CG PRO A 2 -8.161 9.476 -5.215 1.00 0.00 C ATOM 435 CD PRO A 2 -8.019 10.184 -3.891 1.00 0.00 C ATOM 0 HA PRO A 2 -10.854 8.520 -3.504 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -9.398 7.807 -5.755 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -10.252 9.335 -5.682 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -7.336 8.780 -5.367 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -8.130 10.192 -6.036 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -7.021 10.047 -3.474 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -8.175 11.258 -3.997 1.00 0.00 H new ATOM 443 N CYS A 3 -8.138 6.954 -2.751 1.00 0.00 N ATOM 444 CA CYS A 3 -7.660 5.588 -2.343 1.00 0.00 C ATOM 445 C CYS A 3 -8.703 4.910 -1.442 1.00 0.00 C ATOM 446 O CYS A 3 -8.890 3.711 -1.517 1.00 0.00 O ATOM 447 CB CYS A 3 -6.314 5.799 -1.623 1.00 0.00 C ATOM 448 SG CYS A 3 -6.217 4.800 -0.109 1.00 0.00 S ATOM 0 H CYS A 3 -7.490 7.718 -2.561 1.00 0.00 H new ATOM 0 HA CYS A 3 -7.525 4.927 -3.199 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.495 5.532 -2.291 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -6.192 6.853 -1.375 1.00 0.00 H new ATOM 453 N ARG A 4 -9.405 5.653 -0.605 1.00 0.00 N ATOM 454 CA ARG A 4 -10.442 4.999 0.255 1.00 0.00 C ATOM 455 C ARG A 4 -11.486 4.307 -0.633 1.00 0.00 C ATOM 456 O ARG A 4 -11.961 3.234 -0.315 1.00 0.00 O ATOM 457 CB ARG A 4 -11.065 6.121 1.118 1.00 0.00 C ATOM 458 CG ARG A 4 -12.334 6.708 0.466 1.00 0.00 C ATOM 459 CD ARG A 4 -13.563 5.825 0.766 1.00 0.00 C ATOM 460 NE ARG A 4 -13.737 5.859 2.245 1.00 0.00 N ATOM 461 CZ ARG A 4 -14.941 5.873 2.753 1.00 0.00 C ATOM 462 NH1 ARG A 4 -15.574 4.750 2.981 1.00 0.00 N ATOM 463 NH2 ARG A 4 -15.517 7.018 2.996 1.00 0.00 N ATOM 0 H ARG A 4 -9.304 6.661 -0.486 1.00 0.00 H new ATOM 0 HA ARG A 4 -10.019 4.228 0.899 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -11.312 5.727 2.104 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -10.333 6.914 1.267 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -12.506 7.718 0.839 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -12.191 6.787 -0.612 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -14.450 6.205 0.259 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -13.407 4.805 0.414 1.00 0.00 H new ATOM 0 HE ARG A 4 -12.921 5.871 2.857 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -15.128 3.859 2.762 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -16.514 4.766 3.378 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -15.028 7.889 2.790 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -16.457 7.042 3.392 1.00 0.00 H new ATOM 477 N ARG A 5 -11.830 4.898 -1.756 1.00 0.00 N ATOM 478 CA ARG A 5 -12.826 4.252 -2.666 1.00 0.00 C ATOM 479 C ARG A 5 -12.238 2.934 -3.162 1.00 0.00 C ATOM 480 O ARG A 5 -12.899 1.910 -3.181 1.00 0.00 O ATOM 481 CB ARG A 5 -13.030 5.228 -3.834 1.00 0.00 C ATOM 482 CG ARG A 5 -13.523 6.577 -3.302 1.00 0.00 C ATOM 483 CD ARG A 5 -14.870 6.921 -3.938 1.00 0.00 C ATOM 484 NE ARG A 5 -15.888 6.273 -3.061 1.00 0.00 N ATOM 485 CZ ARG A 5 -16.978 5.787 -3.588 1.00 0.00 C ATOM 486 NH1 ARG A 5 -17.798 6.584 -4.222 1.00 0.00 N ATOM 487 NH2 ARG A 5 -17.230 4.507 -3.498 1.00 0.00 N ATOM 0 H ARG A 5 -11.465 5.794 -2.078 1.00 0.00 H new ATOM 0 HA ARG A 5 -13.775 4.041 -2.173 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -12.094 5.361 -4.377 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -13.753 4.819 -4.540 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -13.622 6.537 -2.217 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -12.794 7.356 -3.527 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -15.020 8.000 -3.986 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -14.932 6.545 -4.959 1.00 0.00 H new ATOM 0 HE ARG A 5 -15.733 6.210 -2.055 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -17.583 7.578 -4.302 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -18.652 6.212 -4.637 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -16.575 3.891 -3.017 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -18.082 4.125 -3.909 1.00 0.00 H new ATOM 501 N HIS A 6 -10.983 2.949 -3.530 1.00 0.00 N ATOM 502 CA HIS A 6 -10.329 1.694 -3.988 1.00 0.00 C ATOM 503 C HIS A 6 -10.236 0.733 -2.803 1.00 0.00 C ATOM 504 O HIS A 6 -10.551 -0.429 -2.921 1.00 0.00 O ATOM 505 CB HIS A 6 -8.935 2.097 -4.481 1.00 0.00 C ATOM 506 CG HIS A 6 -9.041 2.626 -5.888 1.00 0.00 C ATOM 507 ND1 HIS A 6 -8.182 3.596 -6.394 1.00 0.00 N ATOM 508 CD2 HIS A 6 -9.898 2.319 -6.913 1.00 0.00 C ATOM 509 CE1 HIS A 6 -8.546 3.831 -7.669 1.00 0.00 C ATOM 510 NE2 HIS A 6 -9.586 3.080 -8.035 1.00 0.00 N ATOM 0 H HIS A 6 -10.386 3.776 -3.532 1.00 0.00 H new ATOM 0 HA HIS A 6 -10.883 1.195 -4.783 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -8.510 2.857 -3.825 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -8.264 1.239 -4.452 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -7.417 4.046 -5.892 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -10.697 1.594 -6.858 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -8.055 4.542 -8.317 1.00 0.00 H new ATOM 518 N LEU A 7 -9.840 1.220 -1.653 1.00 0.00 N ATOM 519 CA LEU A 7 -9.761 0.339 -0.451 1.00 0.00 C ATOM 520 C LEU A 7 -11.141 -0.272 -0.178 1.00 0.00 C ATOM 521 O LEU A 7 -11.273 -1.467 -0.012 1.00 0.00 O ATOM 522 CB LEU A 7 -9.350 1.259 0.704 1.00 0.00 C ATOM 523 CG LEU A 7 -8.161 0.659 1.458 1.00 0.00 C ATOM 524 CD1 LEU A 7 -7.800 1.569 2.633 1.00 0.00 C ATOM 525 CD2 LEU A 7 -8.527 -0.731 1.990 1.00 0.00 C ATOM 0 H LEU A 7 -9.568 2.191 -1.496 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.053 -0.480 -0.581 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.086 2.244 0.318 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -10.190 1.398 1.385 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.312 0.572 0.780 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.953 1.146 3.174 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.535 2.558 2.259 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.654 1.652 3.305 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.676 -1.151 2.525 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.377 -0.649 2.667 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.789 -1.382 1.156 1.00 0.00 H new ATOM 537 N ASP A 8 -12.168 0.547 -0.154 1.00 0.00 N ATOM 538 CA ASP A 8 -13.555 0.032 0.086 1.00 0.00 C ATOM 539 C ASP A 8 -13.892 -1.051 -0.946 1.00 0.00 C ATOM 540 O ASP A 8 -14.384 -2.114 -0.620 1.00 0.00 O ATOM 541 CB ASP A 8 -14.462 1.253 -0.124 1.00 0.00 C ATOM 542 CG ASP A 8 -15.559 1.277 0.931 1.00 0.00 C ATOM 543 OD1 ASP A 8 -16.400 0.397 0.905 1.00 0.00 O ATOM 544 OD2 ASP A 8 -15.550 2.183 1.741 1.00 0.00 O ATOM 0 H ASP A 8 -12.104 1.556 -0.291 1.00 0.00 H new ATOM 0 HA ASP A 8 -13.672 -0.409 1.076 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -13.872 2.168 -0.067 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.905 1.220 -1.120 1.00 0.00 H new ATOM 549 N SER A 9 -13.606 -0.780 -2.187 1.00 0.00 N ATOM 550 CA SER A 9 -13.870 -1.764 -3.274 1.00 0.00 C ATOM 551 C SER A 9 -12.919 -2.952 -3.127 1.00 0.00 C ATOM 552 O SER A 9 -13.331 -4.095 -3.156 1.00 0.00 O ATOM 553 CB SER A 9 -13.601 -1.010 -4.584 1.00 0.00 C ATOM 554 OG SER A 9 -14.254 0.260 -4.547 1.00 0.00 O ATOM 0 H SER A 9 -13.193 0.098 -2.501 1.00 0.00 H new ATOM 0 HA SER A 9 -14.887 -2.155 -3.245 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.529 -0.875 -4.724 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.963 -1.592 -5.432 1.00 0.00 H new ATOM 0 HG SER A 9 -13.596 0.960 -4.354 1.00 0.00 H new ATOM 560 N VAL A 10 -11.648 -2.687 -2.959 1.00 0.00 N ATOM 561 CA VAL A 10 -10.665 -3.792 -2.804 1.00 0.00 C ATOM 562 C VAL A 10 -11.026 -4.631 -1.582 1.00 0.00 C ATOM 563 O VAL A 10 -11.051 -5.834 -1.652 1.00 0.00 O ATOM 564 CB VAL A 10 -9.300 -3.113 -2.613 1.00 0.00 C ATOM 565 CG1 VAL A 10 -8.244 -4.150 -2.241 1.00 0.00 C ATOM 566 CG2 VAL A 10 -8.881 -2.432 -3.912 1.00 0.00 C ATOM 0 H VAL A 10 -11.251 -1.748 -2.923 1.00 0.00 H new ATOM 0 HA VAL A 10 -10.655 -4.459 -3.666 1.00 0.00 H new ATOM 0 HB VAL A 10 -9.385 -2.376 -1.814 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -7.281 -3.657 -2.108 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.530 -4.644 -1.312 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -8.166 -4.891 -3.036 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.913 -1.951 -3.775 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.807 -3.176 -4.705 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.623 -1.682 -4.185 1.00 0.00 H new ATOM 576 N LEU A 11 -11.313 -4.012 -0.464 1.00 0.00 N ATOM 577 CA LEU A 11 -11.668 -4.813 0.745 1.00 0.00 C ATOM 578 C LEU A 11 -12.917 -5.661 0.471 1.00 0.00 C ATOM 579 O LEU A 11 -12.972 -6.814 0.851 1.00 0.00 O ATOM 580 CB LEU A 11 -11.867 -3.792 1.891 1.00 0.00 C ATOM 581 CG LEU A 11 -13.344 -3.405 2.071 1.00 0.00 C ATOM 582 CD1 LEU A 11 -14.043 -4.432 2.970 1.00 0.00 C ATOM 583 CD2 LEU A 11 -13.427 -2.024 2.733 1.00 0.00 C ATOM 0 H LEU A 11 -11.317 -3.000 -0.337 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.889 -5.524 1.019 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.487 -4.214 2.822 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.281 -2.897 1.684 1.00 0.00 H new ATOM 0 HG LEU A 11 -13.832 -3.382 1.096 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -15.089 -4.154 3.095 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.982 -5.419 2.511 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -13.555 -4.455 3.944 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -14.473 -1.745 2.863 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.937 -2.057 3.706 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -12.931 -1.287 2.101 1.00 0.00 H new ATOM 595 N GLN A 12 -13.909 -5.121 -0.195 1.00 0.00 N ATOM 596 CA GLN A 12 -15.123 -5.951 -0.483 1.00 0.00 C ATOM 597 C GLN A 12 -14.801 -7.012 -1.550 1.00 0.00 C ATOM 598 O GLN A 12 -15.150 -8.171 -1.417 1.00 0.00 O ATOM 599 CB GLN A 12 -16.186 -4.961 -0.983 1.00 0.00 C ATOM 600 CG GLN A 12 -16.712 -4.134 0.197 1.00 0.00 C ATOM 601 CD GLN A 12 -17.606 -3.002 -0.317 1.00 0.00 C ATOM 602 OE1 GLN A 12 -17.784 -2.827 -1.511 1.00 0.00 O ATOM 603 NE2 GLN A 12 -18.187 -2.219 0.543 1.00 0.00 N ATOM 0 H GLN A 12 -13.934 -4.163 -0.545 1.00 0.00 H new ATOM 0 HA GLN A 12 -15.471 -6.492 0.397 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -15.758 -4.303 -1.739 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -17.006 -5.500 -1.457 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -17.275 -4.773 0.878 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -15.877 -3.721 0.764 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -18.041 -2.362 1.542 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -18.789 -1.462 0.218 1.00 0.00 H new ATOM 612 N GLN A 13 -14.141 -6.606 -2.604 1.00 0.00 N ATOM 613 CA GLN A 13 -13.771 -7.545 -3.718 1.00 0.00 C ATOM 614 C GLN A 13 -12.632 -8.503 -3.326 1.00 0.00 C ATOM 615 O GLN A 13 -12.494 -9.568 -3.889 1.00 0.00 O ATOM 616 CB GLN A 13 -13.319 -6.649 -4.870 1.00 0.00 C ATOM 617 CG GLN A 13 -14.491 -6.390 -5.818 1.00 0.00 C ATOM 618 CD GLN A 13 -15.013 -4.964 -5.620 1.00 0.00 C ATOM 619 OE1 GLN A 13 -14.367 -4.009 -6.008 1.00 0.00 O ATOM 620 NE2 GLN A 13 -16.162 -4.780 -5.036 1.00 0.00 N ATOM 0 H GLN A 13 -13.834 -5.644 -2.747 1.00 0.00 H new ATOM 0 HA GLN A 13 -14.620 -8.178 -3.978 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -12.939 -5.704 -4.480 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -12.500 -7.123 -5.411 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -14.173 -6.530 -6.851 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -15.289 -7.109 -5.630 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -16.703 -5.581 -4.711 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -16.521 -3.835 -4.904 1.00 0.00 H new ATOM 629 N LEU A 14 -11.769 -8.102 -2.436 1.00 0.00 N ATOM 630 CA LEU A 14 -10.582 -8.950 -2.088 1.00 0.00 C ATOM 631 C LEU A 14 -10.939 -10.416 -1.848 1.00 0.00 C ATOM 632 O LEU A 14 -10.210 -11.283 -2.258 1.00 0.00 O ATOM 633 CB LEU A 14 -10.032 -8.356 -0.790 1.00 0.00 C ATOM 634 CG LEU A 14 -8.531 -8.117 -0.939 1.00 0.00 C ATOM 635 CD1 LEU A 14 -8.052 -7.137 0.136 1.00 0.00 C ATOM 636 CD2 LEU A 14 -7.795 -9.446 -0.784 1.00 0.00 C ATOM 0 H LEU A 14 -11.830 -7.219 -1.929 1.00 0.00 H new ATOM 0 HA LEU A 14 -9.871 -8.944 -2.914 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.540 -7.419 -0.562 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.223 -9.033 0.043 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.326 -7.695 -1.923 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.981 -6.970 0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.580 -6.190 0.026 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.254 -7.553 1.123 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.723 -9.282 -0.889 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.003 -9.865 0.201 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.133 -10.141 -1.553 1.00 0.00 H new ATOM 648 N GLN A 15 -12.016 -10.717 -1.185 1.00 0.00 N ATOM 649 CA GLN A 15 -12.324 -12.162 -0.941 1.00 0.00 C ATOM 650 C GLN A 15 -12.880 -12.845 -2.192 1.00 0.00 C ATOM 651 O GLN A 15 -12.810 -14.051 -2.324 1.00 0.00 O ATOM 652 CB GLN A 15 -13.335 -12.200 0.205 1.00 0.00 C ATOM 653 CG GLN A 15 -12.590 -12.245 1.542 1.00 0.00 C ATOM 654 CD GLN A 15 -13.471 -12.923 2.591 1.00 0.00 C ATOM 655 OE1 GLN A 15 -14.326 -12.290 3.182 1.00 0.00 O ATOM 656 NE2 GLN A 15 -13.311 -14.190 2.842 1.00 0.00 N ATOM 0 H GLN A 15 -12.687 -10.048 -0.807 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.417 -12.709 -0.685 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -13.979 -11.322 0.165 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.980 -13.073 0.106 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -11.653 -12.790 1.431 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -12.335 -11.235 1.863 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -12.595 -14.721 2.347 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -13.902 -14.652 3.533 1.00 0.00 H new ATOM 665 N THR A 16 -13.429 -12.106 -3.101 1.00 0.00 N ATOM 666 CA THR A 16 -13.983 -12.737 -4.332 1.00 0.00 C ATOM 667 C THR A 16 -12.950 -12.692 -5.437 1.00 0.00 C ATOM 668 O THR A 16 -12.768 -13.631 -6.194 1.00 0.00 O ATOM 669 CB THR A 16 -15.185 -11.875 -4.669 1.00 0.00 C ATOM 670 OG1 THR A 16 -14.791 -10.520 -4.833 1.00 0.00 O ATOM 671 CG2 THR A 16 -16.161 -11.985 -3.515 1.00 0.00 C ATOM 0 H THR A 16 -13.522 -11.091 -3.051 1.00 0.00 H new ATOM 0 HA THR A 16 -14.252 -13.785 -4.202 1.00 0.00 H new ATOM 0 HB THR A 16 -15.641 -12.211 -5.600 1.00 0.00 H new ATOM 0 HG1 THR A 16 -14.712 -10.316 -5.788 1.00 0.00 H new ATOM 0 HG21 THR A 16 -17.041 -11.376 -3.723 1.00 0.00 H new ATOM 0 HG22 THR A 16 -16.461 -13.025 -3.390 1.00 0.00 H new ATOM 0 HG23 THR A 16 -15.684 -11.633 -2.600 1.00 0.00 H new ATOM 679 N GLU A 17 -12.247 -11.612 -5.497 1.00 0.00 N ATOM 680 CA GLU A 17 -11.174 -11.488 -6.514 1.00 0.00 C ATOM 681 C GLU A 17 -9.864 -11.962 -5.881 1.00 0.00 C ATOM 682 O GLU A 17 -8.791 -11.675 -6.379 1.00 0.00 O ATOM 683 CB GLU A 17 -11.077 -9.990 -6.883 1.00 0.00 C ATOM 684 CG GLU A 17 -12.458 -9.309 -6.863 1.00 0.00 C ATOM 685 CD GLU A 17 -13.364 -9.922 -7.919 1.00 0.00 C ATOM 686 OE1 GLU A 17 -13.138 -9.664 -9.087 1.00 0.00 O ATOM 687 OE2 GLU A 17 -14.275 -10.633 -7.542 1.00 0.00 O ATOM 0 H GLU A 17 -12.365 -10.804 -4.886 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.376 -12.084 -7.404 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -10.412 -9.485 -6.183 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -10.635 -9.887 -7.874 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.911 -9.419 -5.878 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -12.347 -8.240 -7.046 1.00 0.00 H new ATOM 694 N VAL A 18 -9.932 -12.680 -4.779 1.00 0.00 N ATOM 695 CA VAL A 18 -8.664 -13.126 -4.129 1.00 0.00 C ATOM 696 C VAL A 18 -7.888 -14.084 -5.010 1.00 0.00 C ATOM 697 O VAL A 18 -6.694 -14.042 -5.054 1.00 0.00 O ATOM 698 CB VAL A 18 -9.038 -13.812 -2.807 1.00 0.00 C ATOM 699 CG1 VAL A 18 -9.998 -14.981 -3.056 1.00 0.00 C ATOM 700 CG2 VAL A 18 -7.757 -14.335 -2.136 1.00 0.00 C ATOM 0 H VAL A 18 -10.793 -12.968 -4.314 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.021 -12.263 -3.957 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.534 -13.089 -2.160 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.250 -15.453 -2.107 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -10.907 -14.611 -3.530 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -9.520 -15.711 -3.709 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -8.012 -14.824 -1.196 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.267 -15.051 -2.796 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -7.083 -13.501 -1.940 1.00 0.00 H new ATOM 710 N TYR A 19 -8.542 -14.970 -5.674 1.00 0.00 N ATOM 711 CA TYR A 19 -7.790 -15.959 -6.511 1.00 0.00 C ATOM 712 C TYR A 19 -7.459 -15.418 -7.891 1.00 0.00 C ATOM 713 O TYR A 19 -6.712 -16.015 -8.641 1.00 0.00 O ATOM 714 CB TYR A 19 -8.655 -17.221 -6.530 1.00 0.00 C ATOM 715 CG TYR A 19 -8.732 -17.766 -5.113 1.00 0.00 C ATOM 716 CD1 TYR A 19 -7.917 -17.219 -4.104 1.00 0.00 C ATOM 717 CD2 TYR A 19 -9.625 -18.796 -4.800 1.00 0.00 C ATOM 718 CE1 TYR A 19 -7.993 -17.694 -2.800 1.00 0.00 C ATOM 719 CE2 TYR A 19 -9.703 -19.274 -3.485 1.00 0.00 C ATOM 720 CZ TYR A 19 -8.887 -18.723 -2.486 1.00 0.00 C ATOM 721 OH TYR A 19 -8.967 -19.196 -1.195 1.00 0.00 O ATOM 0 H TYR A 19 -9.557 -15.066 -5.685 1.00 0.00 H new ATOM 0 HA TYR A 19 -6.808 -16.180 -6.092 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -9.653 -16.992 -6.904 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -8.226 -17.966 -7.201 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -7.227 -16.424 -4.345 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -10.252 -19.222 -5.569 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -7.364 -17.270 -2.032 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -10.393 -20.068 -3.240 1.00 0.00 H new ATOM 0 HH TYR A 19 -9.638 -19.909 -1.149 1.00 0.00 H new ATOM 731 N ARG A 20 -7.937 -14.261 -8.184 1.00 0.00 N ATOM 732 CA ARG A 20 -7.586 -13.596 -9.471 1.00 0.00 C ATOM 733 C ARG A 20 -6.294 -12.803 -9.247 1.00 0.00 C ATOM 734 O ARG A 20 -5.439 -12.705 -10.101 1.00 0.00 O ATOM 735 CB ARG A 20 -8.765 -12.670 -9.801 1.00 0.00 C ATOM 736 CG ARG A 20 -9.764 -13.406 -10.695 1.00 0.00 C ATOM 737 CD ARG A 20 -10.960 -13.852 -9.847 1.00 0.00 C ATOM 738 NE ARG A 20 -11.782 -12.624 -9.630 1.00 0.00 N ATOM 739 CZ ARG A 20 -13.081 -12.688 -9.752 1.00 0.00 C ATOM 740 NH1 ARG A 20 -13.796 -13.168 -8.771 1.00 0.00 N ATOM 741 NH2 ARG A 20 -13.651 -12.259 -10.847 1.00 0.00 N ATOM 0 H ARG A 20 -8.568 -13.729 -7.584 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.420 -14.293 -10.292 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.254 -12.347 -8.882 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.405 -11.772 -10.304 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.098 -12.754 -11.503 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.288 -14.270 -11.159 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.536 -14.624 -10.358 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.631 -14.276 -8.898 1.00 0.00 H new ATOM 0 HE ARG A 20 -11.332 -11.741 -9.388 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -13.340 -13.490 -7.917 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -14.811 -13.221 -8.858 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -13.082 -11.876 -11.602 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -14.665 -12.307 -10.947 1.00 0.00 H new ATOM 755 N GLY A 21 -6.181 -12.234 -8.079 1.00 0.00 N ATOM 756 CA GLY A 21 -4.987 -11.420 -7.693 1.00 0.00 C ATOM 757 C GLY A 21 -4.252 -12.081 -6.510 1.00 0.00 C ATOM 758 O GLY A 21 -3.406 -11.473 -5.900 1.00 0.00 O ATOM 0 H GLY A 21 -6.891 -12.301 -7.349 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.312 -11.326 -8.543 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -5.298 -10.412 -7.420 1.00 0.00 H new ATOM 762 N ALA A 22 -4.614 -13.283 -6.126 1.00 0.00 N ATOM 763 CA ALA A 22 -3.992 -13.916 -4.906 1.00 0.00 C ATOM 764 C ALA A 22 -2.469 -13.823 -4.908 1.00 0.00 C ATOM 765 O ALA A 22 -1.862 -13.713 -3.857 1.00 0.00 O ATOM 766 CB ALA A 22 -4.405 -15.396 -4.950 1.00 0.00 C ATOM 0 H ALA A 22 -5.312 -13.856 -6.600 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.332 -13.400 -4.008 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.985 -15.917 -4.089 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.492 -15.471 -4.925 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.031 -15.851 -5.867 1.00 0.00 H new ATOM 772 N GLN A 23 -1.833 -13.837 -6.038 1.00 0.00 N ATOM 773 CA GLN A 23 -0.352 -13.721 -6.016 1.00 0.00 C ATOM 774 C GLN A 23 0.085 -12.273 -6.272 1.00 0.00 C ATOM 775 O GLN A 23 1.264 -11.978 -6.357 1.00 0.00 O ATOM 776 CB GLN A 23 0.146 -14.646 -7.125 1.00 0.00 C ATOM 777 CG GLN A 23 0.387 -16.041 -6.552 1.00 0.00 C ATOM 778 CD GLN A 23 1.798 -16.111 -5.972 1.00 0.00 C ATOM 779 OE1 GLN A 23 1.997 -15.844 -4.804 1.00 0.00 O ATOM 780 NE2 GLN A 23 2.796 -16.436 -6.744 1.00 0.00 N ATOM 0 H GLN A 23 -2.261 -13.922 -6.960 1.00 0.00 H new ATOM 0 HA GLN A 23 0.060 -13.999 -5.046 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -0.587 -14.693 -7.931 1.00 0.00 H new ATOM 0 HB3 GLN A 23 1.067 -14.253 -7.555 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.348 -16.261 -5.778 1.00 0.00 H new ATOM 0 HG3 GLN A 23 0.264 -16.793 -7.331 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.630 -16.660 -7.725 1.00 0.00 H new ATOM 0 HE22 GLN A 23 3.743 -16.466 -6.367 1.00 0.00 H new ATOM 789 N THR A 24 -0.856 -11.383 -6.399 1.00 0.00 N ATOM 790 CA THR A 24 -0.536 -9.948 -6.667 1.00 0.00 C ATOM 791 C THR A 24 -1.713 -9.049 -6.294 1.00 0.00 C ATOM 792 O THR A 24 -2.047 -8.112 -6.998 1.00 0.00 O ATOM 793 CB THR A 24 -0.226 -9.859 -8.149 1.00 0.00 C ATOM 794 OG1 THR A 24 -0.886 -10.909 -8.858 1.00 0.00 O ATOM 795 CG2 THR A 24 1.274 -9.992 -8.310 1.00 0.00 C ATOM 0 H THR A 24 -1.852 -11.589 -6.328 1.00 0.00 H new ATOM 0 HA THR A 24 0.309 -9.609 -6.068 1.00 0.00 H new ATOM 0 HB THR A 24 -0.575 -8.909 -8.553 1.00 0.00 H new ATOM 0 HG1 THR A 24 -0.679 -10.839 -9.813 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.533 -9.932 -9.367 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.771 -9.187 -7.768 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.599 -10.953 -7.910 1.00 0.00 H new ATOM 803 N LEU A 25 -2.357 -9.344 -5.213 1.00 0.00 N ATOM 804 CA LEU A 25 -3.544 -8.534 -4.804 1.00 0.00 C ATOM 805 C LEU A 25 -3.048 -7.201 -4.266 1.00 0.00 C ATOM 806 O LEU A 25 -2.269 -7.140 -3.331 1.00 0.00 O ATOM 807 CB LEU A 25 -4.226 -9.332 -3.678 1.00 0.00 C ATOM 808 CG LEU A 25 -5.404 -10.137 -4.242 1.00 0.00 C ATOM 809 CD1 LEU A 25 -5.562 -11.442 -3.456 1.00 0.00 C ATOM 810 CD2 LEU A 25 -6.691 -9.323 -4.117 1.00 0.00 C ATOM 0 H LEU A 25 -2.119 -10.112 -4.586 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.232 -8.347 -5.628 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.506 -10.004 -3.211 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.578 -8.653 -2.902 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.210 -10.361 -5.291 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.400 -12.011 -3.860 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.649 -12.031 -3.541 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.750 -11.214 -2.407 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.526 -9.898 -4.519 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.878 -9.097 -3.067 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.589 -8.393 -4.676 1.00 0.00 H new ATOM 822 N TYR A 26 -3.470 -6.133 -4.878 1.00 0.00 N ATOM 823 CA TYR A 26 -3.008 -4.786 -4.446 1.00 0.00 C ATOM 824 C TYR A 26 -3.972 -4.174 -3.430 1.00 0.00 C ATOM 825 O TYR A 26 -5.179 -4.213 -3.596 1.00 0.00 O ATOM 826 CB TYR A 26 -2.945 -3.930 -5.725 1.00 0.00 C ATOM 827 CG TYR A 26 -3.059 -2.458 -5.372 1.00 0.00 C ATOM 828 CD1 TYR A 26 -1.979 -1.780 -4.782 1.00 0.00 C ATOM 829 CD2 TYR A 26 -4.255 -1.778 -5.626 1.00 0.00 C ATOM 830 CE1 TYR A 26 -2.105 -0.427 -4.447 1.00 0.00 C ATOM 831 CE2 TYR A 26 -4.377 -0.425 -5.292 1.00 0.00 C ATOM 832 CZ TYR A 26 -3.302 0.251 -4.705 1.00 0.00 C ATOM 833 OH TYR A 26 -3.430 1.581 -4.372 1.00 0.00 O ATOM 0 H TYR A 26 -4.120 -6.135 -5.664 1.00 0.00 H new ATOM 0 HA TYR A 26 -2.037 -4.841 -3.954 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.008 -4.115 -6.250 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.751 -4.213 -6.402 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -1.054 -2.302 -4.587 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -5.085 -2.298 -6.081 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -1.278 0.095 -3.989 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -5.302 0.098 -5.487 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.652 2.077 -4.702 1.00 0.00 H new ATOM 843 N VAL A 27 -3.438 -3.583 -2.395 1.00 0.00 N ATOM 844 CA VAL A 27 -4.289 -2.934 -1.363 1.00 0.00 C ATOM 845 C VAL A 27 -3.746 -1.520 -1.094 1.00 0.00 C ATOM 846 O VAL A 27 -2.606 -1.363 -0.687 1.00 0.00 O ATOM 847 CB VAL A 27 -4.172 -3.832 -0.120 1.00 0.00 C ATOM 848 CG1 VAL A 27 -4.661 -3.083 1.125 1.00 0.00 C ATOM 849 CG2 VAL A 27 -5.035 -5.084 -0.320 1.00 0.00 C ATOM 0 H VAL A 27 -2.435 -3.523 -2.221 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.331 -2.829 -1.664 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.127 -4.111 0.018 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -4.573 -3.731 1.997 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.055 -2.189 1.273 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.704 -2.796 0.991 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.956 -5.725 0.558 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.075 -4.790 -0.462 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.688 -5.628 -1.198 1.00 0.00 H new ATOM 859 N PRO A 28 -4.578 -0.538 -1.342 1.00 0.00 N ATOM 860 CA PRO A 28 -4.177 0.873 -1.124 1.00 0.00 C ATOM 861 C PRO A 28 -4.205 1.211 0.371 1.00 0.00 C ATOM 862 O PRO A 28 -5.089 0.788 1.093 1.00 0.00 O ATOM 863 CB PRO A 28 -5.241 1.668 -1.877 1.00 0.00 C ATOM 864 CG PRO A 28 -6.441 0.774 -1.941 1.00 0.00 C ATOM 865 CD PRO A 28 -5.951 -0.649 -1.852 1.00 0.00 C ATOM 0 HA PRO A 28 -3.165 1.089 -1.468 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.473 2.599 -1.361 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.897 1.935 -2.876 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.128 0.995 -1.124 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -6.989 0.934 -2.870 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.575 -1.242 -1.184 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.974 -1.138 -2.826 1.00 0.00 H new ATOM 873 N ASN A 29 -3.258 1.975 0.848 1.00 0.00 N ATOM 874 CA ASN A 29 -3.269 2.333 2.295 1.00 0.00 C ATOM 875 C ASN A 29 -3.718 3.784 2.451 1.00 0.00 C ATOM 876 O ASN A 29 -3.082 4.695 1.960 1.00 0.00 O ATOM 877 CB ASN A 29 -1.827 2.155 2.774 1.00 0.00 C ATOM 878 CG ASN A 29 -1.824 1.709 4.237 1.00 0.00 C ATOM 879 OD1 ASN A 29 -1.361 0.633 4.555 1.00 0.00 O ATOM 880 ND2 ASN A 29 -2.319 2.496 5.148 1.00 0.00 N ATOM 0 H ASN A 29 -2.486 2.362 0.305 1.00 0.00 H new ATOM 0 HA ASN A 29 -3.953 1.713 2.875 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.317 1.416 2.157 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.280 3.091 2.668 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.317 2.208 6.126 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.709 3.401 4.883 1.00 0.00 H new ATOM 887 N CYS A 30 -4.807 4.009 3.129 1.00 0.00 N ATOM 888 CA CYS A 30 -5.304 5.403 3.316 1.00 0.00 C ATOM 889 C CYS A 30 -5.295 5.868 4.753 1.00 0.00 C ATOM 890 O CYS A 30 -5.494 5.115 5.688 1.00 0.00 O ATOM 891 CB CYS A 30 -6.765 5.407 2.881 1.00 0.00 C ATOM 892 SG CYS A 30 -6.976 6.088 1.228 1.00 0.00 S ATOM 0 H CYS A 30 -5.378 3.285 3.565 1.00 0.00 H new ATOM 0 HA CYS A 30 -4.650 6.062 2.745 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.153 4.389 2.906 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -7.353 5.989 3.591 1.00 0.00 H new ATOM 897 N ASP A 31 -5.176 7.144 4.881 1.00 0.00 N ATOM 898 CA ASP A 31 -5.268 7.816 6.195 1.00 0.00 C ATOM 899 C ASP A 31 -6.660 8.452 6.239 1.00 0.00 C ATOM 900 O ASP A 31 -7.392 8.385 5.266 1.00 0.00 O ATOM 901 CB ASP A 31 -4.169 8.879 6.189 1.00 0.00 C ATOM 902 CG ASP A 31 -4.285 9.753 7.434 1.00 0.00 C ATOM 903 OD1 ASP A 31 -4.246 9.206 8.521 1.00 0.00 O ATOM 904 OD2 ASP A 31 -4.419 10.951 7.284 1.00 0.00 O ATOM 0 H ASP A 31 -5.012 7.778 4.099 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.140 7.161 7.057 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.190 8.402 6.159 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.251 9.494 5.293 1.00 0.00 H new ATOM 909 N HIS A 32 -7.046 9.050 7.329 1.00 0.00 N ATOM 910 CA HIS A 32 -8.407 9.677 7.394 1.00 0.00 C ATOM 911 C HIS A 32 -8.682 10.554 6.150 1.00 0.00 C ATOM 912 O HIS A 32 -9.824 10.825 5.823 1.00 0.00 O ATOM 913 CB HIS A 32 -8.387 10.545 8.654 1.00 0.00 C ATOM 914 CG HIS A 32 -9.652 10.320 9.437 1.00 0.00 C ATOM 915 ND1 HIS A 32 -9.729 9.411 10.483 1.00 0.00 N ATOM 916 CD2 HIS A 32 -10.902 10.877 9.334 1.00 0.00 C ATOM 917 CE1 HIS A 32 -10.987 9.449 10.961 1.00 0.00 C ATOM 918 NE2 HIS A 32 -11.742 10.326 10.297 1.00 0.00 N ATOM 0 H HIS A 32 -6.486 9.135 8.177 1.00 0.00 H new ATOM 0 HA HIS A 32 -9.191 8.921 7.420 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -7.519 10.298 9.265 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -8.297 11.597 8.383 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -11.190 11.629 8.614 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -11.342 8.843 11.782 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -12.725 10.546 10.460 1.00 0.00 H new ATOM 926 N ARG A 33 -7.656 11.013 5.461 1.00 0.00 N ATOM 927 CA ARG A 33 -7.876 11.874 4.252 1.00 0.00 C ATOM 928 C ARG A 33 -8.173 11.048 2.970 1.00 0.00 C ATOM 929 O ARG A 33 -8.266 11.597 1.889 1.00 0.00 O ATOM 930 CB ARG A 33 -6.610 12.726 4.118 1.00 0.00 C ATOM 931 CG ARG A 33 -5.411 11.864 3.750 1.00 0.00 C ATOM 932 CD ARG A 33 -4.816 12.392 2.448 1.00 0.00 C ATOM 933 NE ARG A 33 -4.489 13.829 2.700 1.00 0.00 N ATOM 934 CZ ARG A 33 -4.643 14.705 1.740 1.00 0.00 C ATOM 935 NH1 ARG A 33 -5.850 15.046 1.355 1.00 0.00 N ATOM 936 NH2 ARG A 33 -3.589 15.229 1.172 1.00 0.00 N ATOM 0 H ARG A 33 -6.678 10.827 5.686 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.762 12.497 4.373 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.761 13.491 3.356 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.415 13.245 5.056 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.666 11.892 4.545 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.714 10.824 3.633 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.923 11.831 2.171 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -5.524 12.291 1.626 1.00 0.00 H new ATOM 0 HE ARG A 33 -4.148 14.125 3.615 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -6.665 14.629 1.804 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -5.973 15.729 0.607 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -2.655 14.954 1.478 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -3.700 15.912 0.423 1.00 0.00 H new ATOM 950 N GLY A 34 -8.389 9.756 3.087 1.00 0.00 N ATOM 951 CA GLY A 34 -8.764 8.906 1.897 1.00 0.00 C ATOM 952 C GLY A 34 -7.684 8.799 0.803 1.00 0.00 C ATOM 953 O GLY A 34 -7.903 8.137 -0.195 1.00 0.00 O ATOM 0 H GLY A 34 -8.321 9.244 3.967 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.004 7.902 2.248 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.672 9.313 1.451 1.00 0.00 H new ATOM 957 N PHE A 35 -6.540 9.406 0.938 1.00 0.00 N ATOM 958 CA PHE A 35 -5.514 9.261 -0.153 1.00 0.00 C ATOM 959 C PHE A 35 -4.539 8.131 0.187 1.00 0.00 C ATOM 960 O PHE A 35 -4.423 7.741 1.337 1.00 0.00 O ATOM 961 CB PHE A 35 -4.762 10.594 -0.203 1.00 0.00 C ATOM 962 CG PHE A 35 -5.045 11.309 -1.505 1.00 0.00 C ATOM 963 CD1 PHE A 35 -4.794 10.679 -2.729 1.00 0.00 C ATOM 964 CD2 PHE A 35 -5.555 12.615 -1.487 1.00 0.00 C ATOM 965 CE1 PHE A 35 -5.046 11.354 -3.930 1.00 0.00 C ATOM 966 CE2 PHE A 35 -5.805 13.287 -2.687 1.00 0.00 C ATOM 967 CZ PHE A 35 -5.554 12.655 -3.907 1.00 0.00 C ATOM 0 H PHE A 35 -6.266 9.985 1.732 1.00 0.00 H new ATOM 0 HA PHE A 35 -5.980 9.022 -1.109 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -5.063 11.221 0.637 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.691 10.419 -0.102 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -4.406 9.671 -2.748 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -5.755 13.103 -0.544 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -4.848 10.869 -4.874 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.192 14.295 -2.671 1.00 0.00 H new ATOM 0 HZ PHE A 35 -5.753 13.173 -4.834 1.00 0.00 H new ATOM 977 N TYR A 36 -3.797 7.637 -0.784 1.00 0.00 N ATOM 978 CA TYR A 36 -2.779 6.576 -0.472 1.00 0.00 C ATOM 979 C TYR A 36 -1.740 7.310 0.356 1.00 0.00 C ATOM 980 O TYR A 36 -0.913 7.999 -0.196 1.00 0.00 O ATOM 981 CB TYR A 36 -2.144 6.115 -1.811 1.00 0.00 C ATOM 982 CG TYR A 36 -3.192 5.816 -2.861 1.00 0.00 C ATOM 983 CD1 TYR A 36 -3.655 6.840 -3.693 1.00 0.00 C ATOM 984 CD2 TYR A 36 -3.684 4.514 -3.012 1.00 0.00 C ATOM 985 CE1 TYR A 36 -4.615 6.567 -4.671 1.00 0.00 C ATOM 986 CE2 TYR A 36 -4.645 4.242 -3.992 1.00 0.00 C ATOM 987 CZ TYR A 36 -5.112 5.267 -4.821 1.00 0.00 C ATOM 988 OH TYR A 36 -6.066 4.997 -5.780 1.00 0.00 O ATOM 0 H TYR A 36 -3.851 7.918 -1.763 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.186 5.704 0.041 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.472 6.890 -2.180 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.539 5.225 -1.638 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.270 7.843 -3.580 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -3.323 3.721 -2.374 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.974 7.359 -5.311 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -5.027 3.239 -4.108 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.952 5.609 -6.537 1.00 0.00 H new ATOM 998 N ARG A 37 -1.834 7.305 1.659 1.00 0.00 N ATOM 999 CA ARG A 37 -0.880 8.178 2.387 1.00 0.00 C ATOM 1000 C ARG A 37 0.553 7.659 2.427 1.00 0.00 C ATOM 1001 O ARG A 37 1.435 8.267 1.853 1.00 0.00 O ATOM 1002 CB ARG A 37 -1.454 8.280 3.803 1.00 0.00 C ATOM 1003 CG ARG A 37 -0.626 9.280 4.601 1.00 0.00 C ATOM 1004 CD ARG A 37 -1.538 10.156 5.452 1.00 0.00 C ATOM 1005 NE ARG A 37 -1.344 9.683 6.855 1.00 0.00 N ATOM 1006 CZ ARG A 37 -1.008 10.536 7.784 1.00 0.00 C ATOM 1007 NH1 ARG A 37 -1.808 11.526 8.079 1.00 0.00 N ATOM 1008 NH2 ARG A 37 0.129 10.399 8.414 1.00 0.00 N ATOM 0 H ARG A 37 -2.492 6.766 2.222 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.794 9.136 1.875 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.496 8.598 3.765 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.436 7.304 4.288 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.081 8.751 5.239 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.041 9.902 3.924 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.276 11.209 5.353 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.579 10.056 5.144 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.473 8.698 7.086 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.693 11.631 7.584 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.547 12.194 8.805 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.752 9.626 8.179 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.393 11.065 9.140 1.00 0.00 H new ATOM 1022 N LYS A 38 0.813 6.577 3.081 1.00 0.00 N ATOM 1023 CA LYS A 38 2.222 6.091 3.107 1.00 0.00 C ATOM 1024 C LYS A 38 2.536 4.922 2.182 1.00 0.00 C ATOM 1025 O LYS A 38 3.579 4.887 1.573 1.00 0.00 O ATOM 1026 CB LYS A 38 2.523 5.705 4.542 1.00 0.00 C ATOM 1027 CG LYS A 38 3.780 6.443 4.970 1.00 0.00 C ATOM 1028 CD LYS A 38 3.403 7.602 5.885 1.00 0.00 C ATOM 1029 CE LYS A 38 3.636 8.937 5.174 1.00 0.00 C ATOM 1030 NZ LYS A 38 5.111 9.118 5.158 1.00 0.00 N ATOM 0 H LYS A 38 0.134 6.012 3.591 1.00 0.00 H new ATOM 0 HA LYS A 38 2.850 6.900 2.733 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.687 5.967 5.191 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.666 4.628 4.625 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.456 5.762 5.488 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.312 6.815 4.094 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.357 7.517 6.179 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.996 7.561 6.799 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.230 8.920 4.162 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.145 9.755 5.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.337 10.133 5.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.528 8.640 5.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.502 8.709 4.285 1.00 0.00 H new ATOM 1044 N ARG A 39 1.716 3.904 2.175 1.00 0.00 N ATOM 1045 CA ARG A 39 2.068 2.690 1.381 1.00 0.00 C ATOM 1046 C ARG A 39 1.098 2.325 0.254 1.00 0.00 C ATOM 1047 O ARG A 39 -0.092 2.578 0.300 1.00 0.00 O ATOM 1048 CB ARG A 39 2.086 1.571 2.421 1.00 0.00 C ATOM 1049 CG ARG A 39 3.166 0.545 2.071 1.00 0.00 C ATOM 1050 CD ARG A 39 2.668 -0.858 2.435 1.00 0.00 C ATOM 1051 NE ARG A 39 2.542 -0.873 3.925 1.00 0.00 N ATOM 1052 CZ ARG A 39 1.397 -0.579 4.484 1.00 0.00 C ATOM 1053 NH1 ARG A 39 0.366 -1.365 4.304 1.00 0.00 N ATOM 1054 NH2 ARG A 39 1.290 0.488 5.236 1.00 0.00 N ATOM 0 H ARG A 39 0.829 3.860 2.677 1.00 0.00 H new ATOM 0 HA ARG A 39 3.009 2.863 0.858 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.275 1.987 3.411 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.111 1.085 2.461 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.401 0.596 1.008 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.086 0.769 2.612 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.710 -1.068 1.960 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.367 -1.622 2.094 1.00 0.00 H new ATOM 0 HE ARG A 39 3.347 -1.112 4.504 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.458 -2.203 3.730 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.529 -1.140 4.738 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.100 1.090 5.386 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.397 0.717 5.672 1.00 0.00 H new ATOM 1068 N GLN A 40 1.627 1.599 -0.692 1.00 0.00 N ATOM 1069 CA GLN A 40 0.835 1.016 -1.809 1.00 0.00 C ATOM 1070 C GLN A 40 1.268 -0.446 -1.825 1.00 0.00 C ATOM 1071 O GLN A 40 2.453 -0.725 -1.822 1.00 0.00 O ATOM 1072 CB GLN A 40 1.267 1.731 -3.093 1.00 0.00 C ATOM 1073 CG GLN A 40 0.582 3.099 -3.189 1.00 0.00 C ATOM 1074 CD GLN A 40 -0.193 3.183 -4.504 1.00 0.00 C ATOM 1075 OE1 GLN A 40 -1.336 2.786 -4.572 1.00 0.00 O ATOM 1076 NE2 GLN A 40 0.379 3.681 -5.561 1.00 0.00 N ATOM 0 H GLN A 40 2.622 1.378 -0.736 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.246 1.115 -1.712 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.350 1.856 -3.102 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.009 1.124 -3.961 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.094 3.241 -2.345 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.325 3.895 -3.140 1.00 0.00 H new ATOM 0 HE21 GLN A 40 1.341 4.017 -5.510 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.134 3.736 -6.441 1.00 0.00 H new ATOM 1085 N CYS A 41 0.375 -1.389 -1.750 1.00 0.00 N ATOM 1086 CA CYS A 41 0.872 -2.794 -1.670 1.00 0.00 C ATOM 1087 C CYS A 41 0.391 -3.715 -2.770 1.00 0.00 C ATOM 1088 O CYS A 41 -0.775 -3.782 -3.076 1.00 0.00 O ATOM 1089 CB CYS A 41 0.334 -3.327 -0.339 1.00 0.00 C ATOM 1090 SG CYS A 41 1.560 -3.072 0.959 1.00 0.00 S ATOM 0 H CYS A 41 -0.637 -1.262 -1.740 1.00 0.00 H new ATOM 0 HA CYS A 41 1.958 -2.777 -1.766 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -0.594 -2.817 -0.081 1.00 0.00 H new ATOM 0 HB3 CYS A 41 0.101 -4.388 -0.429 1.00 0.00 H new ATOM 1095 N ARG A 42 1.293 -4.520 -3.253 1.00 0.00 N ATOM 1096 CA ARG A 42 0.958 -5.582 -4.224 1.00 0.00 C ATOM 1097 C ARG A 42 1.251 -6.848 -3.428 1.00 0.00 C ATOM 1098 O ARG A 42 2.361 -7.017 -2.958 1.00 0.00 O ATOM 1099 CB ARG A 42 1.919 -5.415 -5.402 1.00 0.00 C ATOM 1100 CG ARG A 42 1.538 -6.406 -6.497 1.00 0.00 C ATOM 1101 CD ARG A 42 0.989 -5.648 -7.712 1.00 0.00 C ATOM 1102 NE ARG A 42 2.184 -5.327 -8.541 1.00 0.00 N ATOM 1103 CZ ARG A 42 2.394 -5.974 -9.660 1.00 0.00 C ATOM 1104 NH1 ARG A 42 1.703 -5.670 -10.724 1.00 0.00 N ATOM 1105 NH2 ARG A 42 3.291 -6.921 -9.700 1.00 0.00 N ATOM 0 H ARG A 42 2.281 -4.479 -3.002 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.057 -5.579 -4.621 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.873 -4.395 -5.784 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.945 -5.588 -5.078 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.408 -6.995 -6.787 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.790 -7.105 -6.124 1.00 0.00 H new ATOM 0 HD2 ARG A 42 0.276 -6.257 -8.267 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.465 -4.742 -7.408 1.00 0.00 H new ATOM 0 HE ARG A 42 2.837 -4.605 -8.238 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.002 -4.930 -10.683 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.864 -6.172 -11.597 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.824 -7.154 -8.862 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.459 -7.428 -10.569 1.00 0.00 H new ATOM 1119 N SER A 43 0.276 -7.672 -3.170 1.00 0.00 N ATOM 1120 CA SER A 43 0.539 -8.850 -2.275 1.00 0.00 C ATOM 1121 C SER A 43 0.650 -10.178 -3.019 1.00 0.00 C ATOM 1122 O SER A 43 -0.016 -10.421 -4.003 1.00 0.00 O ATOM 1123 CB SER A 43 -0.654 -8.887 -1.315 1.00 0.00 C ATOM 1124 OG SER A 43 -1.015 -7.556 -0.956 1.00 0.00 O ATOM 0 H SER A 43 -0.676 -7.591 -3.528 1.00 0.00 H new ATOM 0 HA SER A 43 1.501 -8.730 -1.777 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.498 -9.390 -1.786 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.399 -9.459 -0.423 1.00 0.00 H new ATOM 0 HG SER A 43 -1.632 -7.193 -1.625 1.00 0.00 H new ATOM 1130 N SER A 44 1.480 -11.048 -2.509 1.00 0.00 N ATOM 1131 CA SER A 44 1.665 -12.396 -3.108 1.00 0.00 C ATOM 1132 C SER A 44 1.295 -13.452 -2.061 1.00 0.00 C ATOM 1133 O SER A 44 1.133 -13.142 -0.892 1.00 0.00 O ATOM 1134 CB SER A 44 3.155 -12.470 -3.455 1.00 0.00 C ATOM 1135 OG SER A 44 3.920 -12.474 -2.251 1.00 0.00 O ATOM 0 H SER A 44 2.050 -10.873 -1.682 1.00 0.00 H new ATOM 0 HA SER A 44 1.044 -12.569 -3.987 1.00 0.00 H new ATOM 0 HB2 SER A 44 3.361 -13.371 -4.033 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.438 -11.620 -4.076 1.00 0.00 H new ATOM 0 HG SER A 44 4.232 -11.565 -2.059 1.00 0.00 H new ATOM 1141 N GLN A 45 1.161 -14.690 -2.452 1.00 0.00 N ATOM 1142 CA GLN A 45 0.809 -15.750 -1.454 1.00 0.00 C ATOM 1143 C GLN A 45 2.070 -16.254 -0.730 1.00 0.00 C ATOM 1144 O GLN A 45 2.011 -17.196 0.038 1.00 0.00 O ATOM 1145 CB GLN A 45 0.180 -16.885 -2.268 1.00 0.00 C ATOM 1146 CG GLN A 45 -1.109 -16.393 -2.929 1.00 0.00 C ATOM 1147 CD GLN A 45 -2.232 -17.403 -2.694 1.00 0.00 C ATOM 1148 OE1 GLN A 45 -2.593 -18.145 -3.587 1.00 0.00 O ATOM 1149 NE2 GLN A 45 -2.809 -17.464 -1.526 1.00 0.00 N ATOM 0 H GLN A 45 1.278 -15.016 -3.411 1.00 0.00 H new ATOM 0 HA GLN A 45 0.132 -15.370 -0.689 1.00 0.00 H new ATOM 0 HB2 GLN A 45 0.880 -17.232 -3.028 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.034 -17.735 -1.620 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -1.390 -15.422 -2.521 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -0.950 -16.255 -3.998 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -2.508 -16.843 -0.775 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -3.561 -18.133 -1.363 1.00 0.00 H new ATOM 1158 N GLY A 46 3.211 -15.652 -0.971 1.00 0.00 N ATOM 1159 CA GLY A 46 4.460 -16.118 -0.298 1.00 0.00 C ATOM 1160 C GLY A 46 4.769 -15.236 0.915 1.00 0.00 C ATOM 1161 O GLY A 46 3.997 -15.164 1.856 1.00 0.00 O ATOM 0 H GLY A 46 3.329 -14.860 -1.603 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.346 -17.155 0.017 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.293 -16.088 -1.000 1.00 0.00 H new ATOM 1165 N GLN A 47 5.896 -14.572 0.906 1.00 0.00 N ATOM 1166 CA GLN A 47 6.274 -13.698 2.064 1.00 0.00 C ATOM 1167 C GLN A 47 5.721 -12.281 1.863 1.00 0.00 C ATOM 1168 O GLN A 47 4.802 -12.074 1.092 1.00 0.00 O ATOM 1169 CB GLN A 47 7.810 -13.685 2.069 1.00 0.00 C ATOM 1170 CG GLN A 47 8.347 -15.120 2.052 1.00 0.00 C ATOM 1171 CD GLN A 47 8.869 -15.465 0.653 1.00 0.00 C ATOM 1172 OE1 GLN A 47 8.960 -14.611 -0.208 1.00 0.00 O ATOM 1173 NE2 GLN A 47 9.210 -16.690 0.383 1.00 0.00 N ATOM 0 H GLN A 47 6.575 -14.596 0.145 1.00 0.00 H new ATOM 0 HA GLN A 47 5.868 -14.064 3.007 1.00 0.00 H new ATOM 0 HB2 GLN A 47 8.180 -13.139 1.201 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.174 -13.162 2.953 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.147 -15.227 2.785 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.558 -15.816 2.337 1.00 0.00 H new ATOM 0 HE21 GLN A 47 9.136 -17.410 1.101 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.552 -16.931 -0.547 1.00 0.00 H new ATOM 1182 N ARG A 48 6.276 -11.302 2.541 1.00 0.00 N ATOM 1183 CA ARG A 48 5.782 -9.896 2.373 1.00 0.00 C ATOM 1184 C ARG A 48 6.076 -9.382 0.957 1.00 0.00 C ATOM 1185 O ARG A 48 5.582 -8.341 0.557 1.00 0.00 O ATOM 1186 CB ARG A 48 6.537 -9.066 3.418 1.00 0.00 C ATOM 1187 CG ARG A 48 5.882 -7.675 3.560 1.00 0.00 C ATOM 1188 CD ARG A 48 4.364 -7.816 3.765 1.00 0.00 C ATOM 1189 NE ARG A 48 4.201 -8.804 4.869 1.00 0.00 N ATOM 1190 CZ ARG A 48 4.123 -8.391 6.105 1.00 0.00 C ATOM 1191 NH1 ARG A 48 2.973 -7.998 6.567 1.00 0.00 N ATOM 1192 NH2 ARG A 48 5.188 -8.381 6.867 1.00 0.00 N ATOM 0 H ARG A 48 7.046 -11.415 3.200 1.00 0.00 H new ATOM 0 HA ARG A 48 4.703 -9.831 2.510 1.00 0.00 H new ATOM 0 HB2 ARG A 48 6.529 -9.581 4.379 1.00 0.00 H new ATOM 0 HB3 ARG A 48 7.581 -8.957 3.123 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.322 -7.143 4.404 1.00 0.00 H new ATOM 0 HG3 ARG A 48 6.081 -7.079 2.669 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.913 -6.859 4.025 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.875 -8.161 2.854 1.00 0.00 H new ATOM 0 HE ARG A 48 4.150 -9.801 4.659 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.149 -8.015 5.966 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.895 -7.672 7.530 1.00 0.00 H new ATOM 0 HH21 ARG A 48 6.084 -8.697 6.495 1.00 0.00 H new ATOM 0 HH22 ARG A 48 5.122 -8.057 7.832 1.00 0.00 H new ATOM 1206 N ARG A 49 6.860 -10.102 0.192 1.00 0.00 N ATOM 1207 CA ARG A 49 7.153 -9.658 -1.201 1.00 0.00 C ATOM 1208 C ARG A 49 5.829 -9.536 -1.959 1.00 0.00 C ATOM 1209 O ARG A 49 4.817 -10.078 -1.543 1.00 0.00 O ATOM 1210 CB ARG A 49 8.049 -10.742 -1.802 1.00 0.00 C ATOM 1211 CG ARG A 49 9.438 -10.645 -1.157 1.00 0.00 C ATOM 1212 CD ARG A 49 10.475 -11.350 -2.037 1.00 0.00 C ATOM 1213 NE ARG A 49 11.056 -12.420 -1.175 1.00 0.00 N ATOM 1214 CZ ARG A 49 11.657 -13.433 -1.729 1.00 0.00 C ATOM 1215 NH1 ARG A 49 12.905 -13.312 -2.093 1.00 0.00 N ATOM 1216 NH2 ARG A 49 11.011 -14.555 -1.912 1.00 0.00 N ATOM 0 H ARG A 49 7.307 -10.975 0.473 1.00 0.00 H new ATOM 0 HA ARG A 49 7.650 -8.689 -1.249 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.619 -11.728 -1.627 1.00 0.00 H new ATOM 0 HB3 ARG A 49 8.124 -10.615 -2.882 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.714 -9.599 -1.023 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.420 -11.099 -0.166 1.00 0.00 H new ATOM 0 HD2 ARG A 49 10.013 -11.771 -2.930 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.244 -10.655 -2.374 1.00 0.00 H new ATOM 0 HE ARG A 49 10.983 -12.358 -0.159 1.00 0.00 H new ATOM 0 HH11 ARG A 49 13.397 -12.431 -1.942 1.00 0.00 H new ATOM 0 HH12 ARG A 49 13.388 -14.098 -2.528 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.037 -14.636 -1.621 1.00 0.00 H new ATOM 0 HH22 ARG A 49 11.481 -15.349 -2.346 1.00 0.00 H new ATOM 1230 N GLY A 50 5.807 -8.826 -3.044 1.00 0.00 N ATOM 1231 CA GLY A 50 4.524 -8.658 -3.785 1.00 0.00 C ATOM 1232 C GLY A 50 4.672 -7.650 -4.936 1.00 0.00 C ATOM 1233 O GLY A 50 4.225 -7.933 -6.030 1.00 0.00 O ATOM 0 H GLY A 50 6.614 -8.355 -3.453 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.202 -9.621 -4.181 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.747 -8.319 -3.099 1.00 0.00 H new ATOM 1237 N PRO A 51 5.328 -6.521 -4.710 1.00 0.00 N ATOM 1238 CA PRO A 51 5.909 -6.097 -3.408 1.00 0.00 C ATOM 1239 C PRO A 51 5.141 -4.922 -2.782 1.00 0.00 C ATOM 1240 O PRO A 51 4.440 -4.196 -3.454 1.00 0.00 O ATOM 1241 CB PRO A 51 7.278 -5.586 -3.850 1.00 0.00 C ATOM 1242 CG PRO A 51 7.099 -5.167 -5.293 1.00 0.00 C ATOM 1243 CD PRO A 51 5.684 -5.522 -5.706 1.00 0.00 C ATOM 0 HA PRO A 51 5.903 -6.895 -2.666 1.00 0.00 H new ATOM 0 HB2 PRO A 51 7.603 -4.747 -3.234 1.00 0.00 H new ATOM 0 HB3 PRO A 51 8.037 -6.363 -3.757 1.00 0.00 H new ATOM 0 HG2 PRO A 51 7.272 -4.097 -5.404 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.822 -5.675 -5.931 1.00 0.00 H new ATOM 0 HD2 PRO A 51 5.020 -4.658 -5.675 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.641 -5.921 -6.719 1.00 0.00 H new ATOM 1251 N CYS A 52 5.321 -4.706 -1.506 1.00 0.00 N ATOM 1252 CA CYS A 52 4.678 -3.531 -0.844 1.00 0.00 C ATOM 1253 C CYS A 52 5.677 -2.368 -0.885 1.00 0.00 C ATOM 1254 O CYS A 52 6.871 -2.579 -0.759 1.00 0.00 O ATOM 1255 CB CYS A 52 4.429 -3.938 0.604 1.00 0.00 C ATOM 1256 SG CYS A 52 2.784 -4.666 0.769 1.00 0.00 S ATOM 0 H CYS A 52 5.886 -5.293 -0.892 1.00 0.00 H new ATOM 0 HA CYS A 52 3.749 -3.232 -1.330 1.00 0.00 H new ATOM 0 HB2 CYS A 52 5.186 -4.654 0.924 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.517 -3.068 1.255 1.00 0.00 H new ATOM 1261 N TRP A 53 5.230 -1.152 -1.045 1.00 0.00 N ATOM 1262 CA TRP A 53 6.208 -0.011 -1.074 1.00 0.00 C ATOM 1263 C TRP A 53 5.579 1.293 -0.568 1.00 0.00 C ATOM 1264 O TRP A 53 4.381 1.498 -0.653 1.00 0.00 O ATOM 1265 CB TRP A 53 6.673 0.122 -2.537 1.00 0.00 C ATOM 1266 CG TRP A 53 5.560 0.587 -3.424 1.00 0.00 C ATOM 1267 CD1 TRP A 53 5.248 1.881 -3.665 1.00 0.00 C ATOM 1268 CD2 TRP A 53 4.627 -0.208 -4.212 1.00 0.00 C ATOM 1269 NE1 TRP A 53 4.175 1.930 -4.534 1.00 0.00 N ATOM 1270 CE2 TRP A 53 3.760 0.666 -4.904 1.00 0.00 C ATOM 1271 CE3 TRP A 53 4.452 -1.587 -4.390 1.00 0.00 C ATOM 1272 CZ2 TRP A 53 2.747 0.188 -5.736 1.00 0.00 C ATOM 1273 CZ3 TRP A 53 3.436 -2.075 -5.226 1.00 0.00 C ATOM 1274 CH2 TRP A 53 2.589 -1.190 -5.903 1.00 0.00 C ATOM 0 H TRP A 53 4.249 -0.895 -1.156 1.00 0.00 H new ATOM 0 HA TRP A 53 7.049 -0.208 -0.409 1.00 0.00 H new ATOM 0 HB2 TRP A 53 7.504 0.826 -2.594 1.00 0.00 H new ATOM 0 HB3 TRP A 53 7.045 -0.840 -2.891 1.00 0.00 H new ATOM 0 HD1 TRP A 53 5.756 2.737 -3.246 1.00 0.00 H new ATOM 0 HE1 TRP A 53 3.743 2.794 -4.862 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.104 -2.280 -3.880 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 2.091 0.877 -6.246 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 3.307 -3.140 -5.348 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.815 -1.571 -6.553 1.00 0.00 H new ATOM 1285 N CYS A 54 6.392 2.175 -0.039 1.00 0.00 N ATOM 1286 CA CYS A 54 5.866 3.471 0.482 1.00 0.00 C ATOM 1287 C CYS A 54 5.637 4.448 -0.674 1.00 0.00 C ATOM 1288 O CYS A 54 6.236 4.331 -1.735 1.00 0.00 O ATOM 1289 CB CYS A 54 6.930 3.996 1.446 1.00 0.00 C ATOM 1290 SG CYS A 54 6.834 3.089 3.013 1.00 0.00 S ATOM 0 H CYS A 54 7.400 2.051 0.054 1.00 0.00 H new ATOM 0 HA CYS A 54 4.908 3.350 0.987 1.00 0.00 H new ATOM 0 HB2 CYS A 54 7.921 3.880 1.007 1.00 0.00 H new ATOM 0 HB3 CYS A 54 6.782 5.062 1.622 1.00 0.00 H new ATOM 1295 N VAL A 55 4.755 5.391 -0.482 1.00 0.00 N ATOM 1296 CA VAL A 55 4.422 6.378 -1.558 1.00 0.00 C ATOM 1297 C VAL A 55 3.963 7.696 -0.931 1.00 0.00 C ATOM 1298 O VAL A 55 3.664 7.747 0.245 1.00 0.00 O ATOM 1299 CB VAL A 55 3.242 5.759 -2.318 1.00 0.00 C ATOM 1300 CG1 VAL A 55 3.662 4.453 -2.986 1.00 0.00 C ATOM 1301 CG2 VAL A 55 2.082 5.482 -1.352 1.00 0.00 C ATOM 0 H VAL A 55 4.241 5.524 0.389 1.00 0.00 H new ATOM 0 HA VAL A 55 5.280 6.582 -2.199 1.00 0.00 H new ATOM 0 HB VAL A 55 2.920 6.465 -3.084 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.812 4.028 -3.520 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.472 4.648 -3.689 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.002 3.749 -2.227 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.249 5.043 -1.900 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.411 4.790 -0.577 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.761 6.416 -0.892 1.00 0.00 H new ATOM 1311 N ASP A 56 3.853 8.741 -1.708 1.00 0.00 N ATOM 1312 CA ASP A 56 3.345 10.018 -1.147 1.00 0.00 C ATOM 1313 C ASP A 56 1.824 9.919 -1.097 1.00 0.00 C ATOM 1314 O ASP A 56 1.255 8.923 -1.496 1.00 0.00 O ATOM 1315 CB ASP A 56 3.801 11.143 -2.093 1.00 0.00 C ATOM 1316 CG ASP A 56 2.990 11.128 -3.392 1.00 0.00 C ATOM 1317 OD1 ASP A 56 2.891 10.081 -3.998 1.00 0.00 O ATOM 1318 OD2 ASP A 56 2.487 12.172 -3.764 1.00 0.00 O ATOM 0 H ASP A 56 4.092 8.762 -2.699 1.00 0.00 H new ATOM 0 HA ASP A 56 3.720 10.221 -0.144 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.686 12.108 -1.599 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.861 11.025 -2.320 1.00 0.00 H new ATOM 1323 N ARG A 57 1.176 10.928 -0.606 1.00 0.00 N ATOM 1324 CA ARG A 57 -0.325 10.879 -0.507 1.00 0.00 C ATOM 1325 C ARG A 57 -0.990 10.520 -1.855 1.00 0.00 C ATOM 1326 O ARG A 57 -2.131 10.094 -1.888 1.00 0.00 O ATOM 1327 CB ARG A 57 -0.818 12.257 0.000 1.00 0.00 C ATOM 1328 CG ARG A 57 0.037 13.425 -0.522 1.00 0.00 C ATOM 1329 CD ARG A 57 0.066 13.402 -2.046 1.00 0.00 C ATOM 1330 NE ARG A 57 0.318 14.810 -2.451 1.00 0.00 N ATOM 1331 CZ ARG A 57 1.518 15.317 -2.360 1.00 0.00 C ATOM 1332 NH1 ARG A 57 2.531 14.701 -2.912 1.00 0.00 N ATOM 1333 NH2 ARG A 57 1.701 16.428 -1.698 1.00 0.00 N ATOM 0 H ARG A 57 1.607 11.788 -0.266 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.609 10.091 0.191 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.853 12.404 -0.309 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.807 12.263 1.090 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.372 14.372 -0.171 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.051 13.350 -0.129 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.849 12.740 -2.415 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.877 13.038 -2.453 1.00 0.00 H new ATOM 0 HE ARG A 57 -0.450 15.383 -2.802 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.384 13.825 -3.413 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.469 15.097 -2.841 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.909 16.894 -1.256 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.636 16.829 -1.623 1.00 0.00 H new ATOM 1347 N MET A 58 -0.299 10.678 -2.962 1.00 0.00 N ATOM 1348 CA MET A 58 -0.909 10.332 -4.286 1.00 0.00 C ATOM 1349 C MET A 58 -0.647 8.863 -4.626 1.00 0.00 C ATOM 1350 O MET A 58 -1.346 8.271 -5.431 1.00 0.00 O ATOM 1351 CB MET A 58 -0.217 11.236 -5.304 1.00 0.00 C ATOM 1352 CG MET A 58 -0.601 12.690 -5.035 1.00 0.00 C ATOM 1353 SD MET A 58 -1.585 13.325 -6.411 1.00 0.00 S ATOM 1354 CE MET A 58 -3.059 12.313 -6.124 1.00 0.00 C ATOM 0 H MET A 58 0.657 11.030 -3.005 1.00 0.00 H new ATOM 0 HA MET A 58 -1.989 10.476 -4.281 1.00 0.00 H new ATOM 0 HB2 MET A 58 0.864 11.116 -5.238 1.00 0.00 H new ATOM 0 HB3 MET A 58 -0.508 10.953 -6.316 1.00 0.00 H new ATOM 0 HG2 MET A 58 -1.168 12.761 -4.107 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.296 13.295 -4.907 1.00 0.00 H new ATOM 0 HE1 MET A 58 -3.946 12.868 -6.429 1.00 0.00 H new ATOM 0 HE2 MET A 58 -2.988 11.394 -6.706 1.00 0.00 H new ATOM 0 HE3 MET A 58 -3.131 12.067 -5.065 1.00 0.00 H new ATOM 1364 N GLY A 59 0.347 8.267 -4.022 1.00 0.00 N ATOM 1365 CA GLY A 59 0.643 6.832 -4.304 1.00 0.00 C ATOM 1366 C GLY A 59 1.899 6.681 -5.172 1.00 0.00 C ATOM 1367 O GLY A 59 2.162 5.611 -5.686 1.00 0.00 O ATOM 0 H GLY A 59 0.967 8.712 -3.345 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.781 6.296 -3.365 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.208 6.376 -4.810 1.00 0.00 H new ATOM 1371 N LYS A 60 2.690 7.710 -5.343 1.00 0.00 N ATOM 1372 CA LYS A 60 3.909 7.568 -6.166 1.00 0.00 C ATOM 1373 C LYS A 60 4.986 6.829 -5.365 1.00 0.00 C ATOM 1374 O LYS A 60 5.301 7.185 -4.242 1.00 0.00 O ATOM 1375 CB LYS A 60 4.312 8.998 -6.469 1.00 0.00 C ATOM 1376 CG LYS A 60 5.681 9.026 -7.114 1.00 0.00 C ATOM 1377 CD LYS A 60 5.681 10.106 -8.192 1.00 0.00 C ATOM 1378 CE LYS A 60 7.110 10.606 -8.433 1.00 0.00 C ATOM 1379 NZ LYS A 60 7.794 9.513 -9.186 1.00 0.00 N ATOM 0 H LYS A 60 2.537 8.637 -4.946 1.00 0.00 H new ATOM 0 HA LYS A 60 3.760 6.991 -7.078 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.579 9.458 -7.132 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.322 9.584 -5.550 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.448 9.234 -6.368 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.915 8.055 -7.550 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.265 9.708 -9.118 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.043 10.936 -7.887 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.110 11.535 -9.003 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.618 10.811 -7.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.601 9.162 -8.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.124 8.735 -9.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.134 9.880 -10.098 1.00 0.00 H new ATOM 1393 N SER A 61 5.529 5.795 -5.938 1.00 0.00 N ATOM 1394 CA SER A 61 6.572 4.984 -5.249 1.00 0.00 C ATOM 1395 C SER A 61 7.709 5.862 -4.724 1.00 0.00 C ATOM 1396 O SER A 61 8.447 6.467 -5.479 1.00 0.00 O ATOM 1397 CB SER A 61 7.099 4.016 -6.313 1.00 0.00 C ATOM 1398 OG SER A 61 6.006 3.472 -7.048 1.00 0.00 O ATOM 0 H SER A 61 5.290 5.470 -6.875 1.00 0.00 H new ATOM 0 HA SER A 61 6.160 4.466 -4.383 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.780 4.536 -6.987 1.00 0.00 H new ATOM 0 HB3 SER A 61 7.667 3.215 -5.841 1.00 0.00 H new ATOM 0 HG SER A 61 5.404 2.999 -6.436 1.00 0.00 H new ATOM 1404 N LEU A 62 7.857 5.913 -3.429 1.00 0.00 N ATOM 1405 CA LEU A 62 8.950 6.728 -2.818 1.00 0.00 C ATOM 1406 C LEU A 62 10.335 6.049 -2.960 1.00 0.00 C ATOM 1407 O LEU A 62 11.329 6.743 -3.025 1.00 0.00 O ATOM 1408 CB LEU A 62 8.580 6.861 -1.336 1.00 0.00 C ATOM 1409 CG LEU A 62 7.630 8.044 -1.148 1.00 0.00 C ATOM 1410 CD1 LEU A 62 7.072 8.032 0.279 1.00 0.00 C ATOM 1411 CD2 LEU A 62 8.390 9.352 -1.385 1.00 0.00 C ATOM 0 H LEU A 62 7.264 5.422 -2.761 1.00 0.00 H new ATOM 0 HA LEU A 62 9.035 7.692 -3.319 1.00 0.00 H new ATOM 0 HB2 LEU A 62 8.108 5.943 -0.985 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.480 7.006 -0.738 1.00 0.00 H new ATOM 0 HG LEU A 62 6.809 7.965 -1.860 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.395 8.876 0.412 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.530 7.102 0.450 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.893 8.110 0.991 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.713 10.196 -1.251 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.212 9.430 -0.673 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.787 9.363 -2.400 1.00 0.00 H new ATOM 1423 N PRO A 63 10.390 4.721 -2.982 1.00 0.00 N ATOM 1424 CA PRO A 63 11.708 4.025 -3.098 1.00 0.00 C ATOM 1425 C PRO A 63 12.332 4.212 -4.488 1.00 0.00 C ATOM 1426 O PRO A 63 13.521 4.430 -4.613 1.00 0.00 O ATOM 1427 CB PRO A 63 11.366 2.558 -2.860 1.00 0.00 C ATOM 1428 CG PRO A 63 9.923 2.435 -3.227 1.00 0.00 C ATOM 1429 CD PRO A 63 9.280 3.755 -2.899 1.00 0.00 C ATOM 0 HA PRO A 63 12.441 4.418 -2.394 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.986 1.903 -3.472 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.535 2.277 -1.821 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.811 2.203 -4.286 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.450 1.625 -2.671 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.485 3.998 -3.604 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.832 3.745 -1.905 1.00 0.00 H new ATOM 1437 N GLY A 64 11.548 4.115 -5.523 1.00 0.00 N ATOM 1438 CA GLY A 64 12.105 4.275 -6.898 1.00 0.00 C ATOM 1439 C GLY A 64 11.861 2.993 -7.692 1.00 0.00 C ATOM 1440 O GLY A 64 10.752 2.724 -8.119 1.00 0.00 O ATOM 0 H GLY A 64 10.546 3.932 -5.479 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.634 5.121 -7.398 1.00 0.00 H new ATOM 0 HA3 GLY A 64 13.173 4.488 -6.848 1.00 0.00 H new ATOM 1444 N SER A 65 12.876 2.199 -7.894 1.00 0.00 N ATOM 1445 CA SER A 65 12.691 0.933 -8.665 1.00 0.00 C ATOM 1446 C SER A 65 12.236 -0.204 -7.731 1.00 0.00 C ATOM 1447 O SER A 65 12.578 -0.224 -6.564 1.00 0.00 O ATOM 1448 CB SER A 65 14.063 0.636 -9.271 1.00 0.00 C ATOM 1449 OG SER A 65 14.450 1.713 -10.122 1.00 0.00 O ATOM 0 H SER A 65 13.825 2.370 -7.560 1.00 0.00 H new ATOM 0 HA SER A 65 11.923 1.023 -9.433 1.00 0.00 H new ATOM 0 HB2 SER A 65 14.800 0.501 -8.480 1.00 0.00 H new ATOM 0 HB3 SER A 65 14.029 -0.295 -9.837 1.00 0.00 H new ATOM 0 HG SER A 65 15.330 1.524 -10.509 1.00 0.00 H new ATOM 1455 N PRO A 66 11.469 -1.120 -8.283 1.00 0.00 N ATOM 1456 CA PRO A 66 10.943 -2.266 -7.487 1.00 0.00 C ATOM 1457 C PRO A 66 12.047 -3.282 -7.134 1.00 0.00 C ATOM 1458 O PRO A 66 11.801 -4.225 -6.405 1.00 0.00 O ATOM 1459 CB PRO A 66 9.904 -2.900 -8.413 1.00 0.00 C ATOM 1460 CG PRO A 66 10.326 -2.507 -9.794 1.00 0.00 C ATOM 1461 CD PRO A 66 11.024 -1.177 -9.681 1.00 0.00 C ATOM 0 HA PRO A 66 10.533 -1.945 -6.529 1.00 0.00 H new ATOM 0 HB2 PRO A 66 9.883 -3.984 -8.300 1.00 0.00 H new ATOM 0 HB3 PRO A 66 8.901 -2.537 -8.188 1.00 0.00 H new ATOM 0 HG2 PRO A 66 10.992 -3.257 -10.221 1.00 0.00 H new ATOM 0 HG3 PRO A 66 9.462 -2.434 -10.455 1.00 0.00 H new ATOM 0 HD2 PRO A 66 11.866 -1.110 -10.370 1.00 0.00 H new ATOM 0 HD3 PRO A 66 10.351 -0.353 -9.918 1.00 0.00 H new ATOM 1469 N ASP A 67 13.250 -3.109 -7.626 1.00 0.00 N ATOM 1470 CA ASP A 67 14.337 -4.078 -7.284 1.00 0.00 C ATOM 1471 C ASP A 67 14.776 -3.883 -5.824 1.00 0.00 C ATOM 1472 O ASP A 67 15.441 -4.725 -5.252 1.00 0.00 O ATOM 1473 CB ASP A 67 15.488 -3.764 -8.244 1.00 0.00 C ATOM 1474 CG ASP A 67 15.129 -4.258 -9.644 1.00 0.00 C ATOM 1475 OD1 ASP A 67 14.983 -5.454 -9.813 1.00 0.00 O ATOM 1476 OD2 ASP A 67 14.989 -3.428 -10.523 1.00 0.00 O ATOM 0 H ASP A 67 13.524 -2.346 -8.244 1.00 0.00 H new ATOM 0 HA ASP A 67 14.009 -5.113 -7.384 1.00 0.00 H new ATOM 0 HB2 ASP A 67 15.678 -2.691 -8.263 1.00 0.00 H new ATOM 0 HB3 ASP A 67 16.404 -4.244 -7.901 1.00 0.00 H new ATOM 1481 N GLY A 68 14.394 -2.790 -5.206 1.00 0.00 N ATOM 1482 CA GLY A 68 14.772 -2.565 -3.784 1.00 0.00 C ATOM 1483 C GLY A 68 13.607 -3.021 -2.911 1.00 0.00 C ATOM 1484 O GLY A 68 12.818 -2.215 -2.452 1.00 0.00 O ATOM 0 H GLY A 68 13.837 -2.047 -5.629 1.00 0.00 H new ATOM 0 HA2 GLY A 68 15.675 -3.123 -3.537 1.00 0.00 H new ATOM 0 HA3 GLY A 68 14.990 -1.511 -3.609 1.00 0.00 H new ATOM 1488 N ASN A 69 13.484 -4.310 -2.704 1.00 0.00 N ATOM 1489 CA ASN A 69 12.348 -4.850 -1.879 1.00 0.00 C ATOM 1490 C ASN A 69 12.499 -4.474 -0.396 1.00 0.00 C ATOM 1491 O ASN A 69 12.536 -5.326 0.474 1.00 0.00 O ATOM 1492 CB ASN A 69 12.392 -6.373 -2.062 1.00 0.00 C ATOM 1493 CG ASN A 69 11.222 -6.812 -2.944 1.00 0.00 C ATOM 1494 OD1 ASN A 69 10.313 -7.465 -2.483 1.00 0.00 O ATOM 1495 ND2 ASN A 69 11.201 -6.476 -4.204 1.00 0.00 N ATOM 0 H ASN A 69 14.122 -5.017 -3.071 1.00 0.00 H new ATOM 0 HA ASN A 69 11.395 -4.430 -2.200 1.00 0.00 H new ATOM 0 HB2 ASN A 69 13.337 -6.668 -2.518 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.337 -6.869 -1.093 1.00 0.00 H new ATOM 0 HD21 ASN A 69 10.421 -6.763 -4.796 1.00 0.00 H new ATOM 0 HD22 ASN A 69 11.964 -5.926 -4.598 1.00 0.00 H new ATOM 1502 N GLY A 70 12.567 -3.204 -0.105 1.00 0.00 N ATOM 1503 CA GLY A 70 12.694 -2.746 1.315 1.00 0.00 C ATOM 1504 C GLY A 70 11.761 -1.544 1.556 1.00 0.00 C ATOM 1505 O GLY A 70 11.821 -0.900 2.587 1.00 0.00 O ATOM 0 H GLY A 70 12.540 -2.453 -0.795 1.00 0.00 H new ATOM 0 HA2 GLY A 70 12.439 -3.559 1.994 1.00 0.00 H new ATOM 0 HA3 GLY A 70 13.726 -2.466 1.527 1.00 0.00 H new ATOM 1509 N SER A 71 10.904 -1.238 0.612 1.00 0.00 N ATOM 1510 CA SER A 71 9.969 -0.082 0.764 1.00 0.00 C ATOM 1511 C SER A 71 8.696 -0.487 1.532 1.00 0.00 C ATOM 1512 O SER A 71 7.868 0.348 1.839 1.00 0.00 O ATOM 1513 CB SER A 71 9.622 0.334 -0.670 1.00 0.00 C ATOM 1514 OG SER A 71 10.703 0.006 -1.543 1.00 0.00 O ATOM 0 H SER A 71 10.813 -1.747 -0.267 1.00 0.00 H new ATOM 0 HA SER A 71 10.421 0.729 1.335 1.00 0.00 H new ATOM 0 HB2 SER A 71 8.713 -0.172 -0.995 1.00 0.00 H new ATOM 0 HB3 SER A 71 9.422 1.405 -0.710 1.00 0.00 H new ATOM 0 HG SER A 71 10.348 -0.343 -2.387 1.00 0.00 H new ATOM 1520 N SER A 72 8.525 -1.753 1.831 1.00 0.00 N ATOM 1521 CA SER A 72 7.299 -2.200 2.568 1.00 0.00 C ATOM 1522 C SER A 72 7.162 -1.436 3.894 1.00 0.00 C ATOM 1523 O SER A 72 6.101 -0.941 4.234 1.00 0.00 O ATOM 1524 CB SER A 72 7.504 -3.698 2.836 1.00 0.00 C ATOM 1525 OG SER A 72 8.612 -4.187 2.078 1.00 0.00 O ATOM 0 H SER A 72 9.182 -2.497 1.596 1.00 0.00 H new ATOM 0 HA SER A 72 6.392 -2.011 1.994 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.679 -3.864 3.899 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.601 -4.249 2.572 1.00 0.00 H new ATOM 0 HG SER A 72 8.735 -5.143 2.258 1.00 0.00 H new ATOM 1531 N SER A 73 8.227 -1.343 4.646 1.00 0.00 N ATOM 1532 CA SER A 73 8.168 -0.621 5.952 1.00 0.00 C ATOM 1533 C SER A 73 8.240 0.897 5.732 1.00 0.00 C ATOM 1534 O SER A 73 9.050 1.383 4.968 1.00 0.00 O ATOM 1535 CB SER A 73 9.391 -1.117 6.729 1.00 0.00 C ATOM 1536 OG SER A 73 9.457 -2.542 6.651 1.00 0.00 O ATOM 0 H SER A 73 9.138 -1.737 4.412 1.00 0.00 H new ATOM 0 HA SER A 73 7.238 -0.811 6.488 1.00 0.00 H new ATOM 0 HB2 SER A 73 10.300 -0.677 6.318 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.327 -0.801 7.770 1.00 0.00 H new ATOM 0 HG SER A 73 10.240 -2.861 7.146 1.00 0.00 H new ATOM 1542 N CYS A 74 7.410 1.644 6.412 1.00 0.00 N ATOM 1543 CA CYS A 74 7.425 3.135 6.272 1.00 0.00 C ATOM 1544 C CYS A 74 7.828 3.754 7.617 1.00 0.00 C ATOM 1545 O CYS A 74 7.632 3.142 8.651 1.00 0.00 O ATOM 1546 CB CYS A 74 5.991 3.527 5.904 1.00 0.00 C ATOM 1547 SG CYS A 74 5.993 4.393 4.309 1.00 0.00 S ATOM 0 H CYS A 74 6.715 1.283 7.065 1.00 0.00 H new ATOM 0 HA CYS A 74 8.131 3.482 5.518 1.00 0.00 H new ATOM 0 HB2 CYS A 74 5.363 2.638 5.847 1.00 0.00 H new ATOM 0 HB3 CYS A 74 5.568 4.168 6.678 1.00 0.00 H new ATOM 1552 N PRO A 75 8.399 4.932 7.573 1.00 0.00 N ATOM 1553 CA PRO A 75 8.842 5.596 8.817 1.00 0.00 C ATOM 1554 C PRO A 75 7.674 6.331 9.496 1.00 0.00 C ATOM 1555 O PRO A 75 6.950 5.750 10.283 1.00 0.00 O ATOM 1556 CB PRO A 75 9.925 6.559 8.331 1.00 0.00 C ATOM 1557 CG PRO A 75 9.610 6.833 6.890 1.00 0.00 C ATOM 1558 CD PRO A 75 8.685 5.750 6.389 1.00 0.00 C ATOM 0 HA PRO A 75 9.211 4.903 9.573 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.920 7.480 8.914 1.00 0.00 H new ATOM 0 HB3 PRO A 75 10.916 6.119 8.438 1.00 0.00 H new ATOM 0 HG2 PRO A 75 9.141 7.811 6.784 1.00 0.00 H new ATOM 0 HG3 PRO A 75 10.526 6.853 6.299 1.00 0.00 H new ATOM 0 HD2 PRO A 75 7.772 6.171 5.968 1.00 0.00 H new ATOM 0 HD3 PRO A 75 9.155 5.159 5.603 1.00 0.00 H new ATOM 1566 N THR A 76 7.482 7.592 9.215 1.00 0.00 N ATOM 1567 CA THR A 76 6.371 8.346 9.862 1.00 0.00 C ATOM 1568 C THR A 76 5.487 9.025 8.809 1.00 0.00 C ATOM 1569 O THR A 76 5.703 8.885 7.617 1.00 0.00 O ATOM 1570 CB THR A 76 7.073 9.395 10.737 1.00 0.00 C ATOM 1571 OG1 THR A 76 8.409 9.608 10.273 1.00 0.00 O ATOM 1572 CG2 THR A 76 7.098 8.918 12.190 1.00 0.00 C ATOM 0 H THR A 76 8.049 8.134 8.563 1.00 0.00 H new ATOM 0 HA THR A 76 5.714 7.696 10.440 1.00 0.00 H new ATOM 0 HB THR A 76 6.525 10.335 10.675 1.00 0.00 H new ATOM 0 HG1 THR A 76 8.848 10.280 10.836 1.00 0.00 H new ATOM 0 HG21 THR A 76 7.597 9.664 12.809 1.00 0.00 H new ATOM 0 HG22 THR A 76 6.077 8.776 12.544 1.00 0.00 H new ATOM 0 HG23 THR A 76 7.638 7.974 12.254 1.00 0.00 H new ATOM 1580 N GLY A 77 4.500 9.767 9.241 1.00 0.00 N ATOM 1581 CA GLY A 77 3.599 10.462 8.279 1.00 0.00 C ATOM 1582 C GLY A 77 4.310 11.682 7.696 1.00 0.00 C ATOM 1583 O GLY A 77 4.968 11.596 6.675 1.00 0.00 O ATOM 0 H GLY A 77 4.280 9.921 10.225 1.00 0.00 H new ATOM 0 HA2 GLY A 77 3.311 9.780 7.479 1.00 0.00 H new ATOM 0 HA3 GLY A 77 2.682 10.769 8.782 1.00 0.00 H new ATOM 1587 N SER A 78 4.183 12.812 8.332 1.00 0.00 N ATOM 1588 CA SER A 78 4.849 14.043 7.813 1.00 0.00 C ATOM 1589 C SER A 78 6.326 14.050 8.214 1.00 0.00 C ATOM 1590 O SER A 78 6.736 13.342 9.115 1.00 0.00 O ATOM 1591 CB SER A 78 4.118 15.210 8.479 1.00 0.00 C ATOM 1592 OG SER A 78 2.735 14.902 8.603 1.00 0.00 O ATOM 0 H SER A 78 3.646 12.939 9.190 1.00 0.00 H new ATOM 0 HA SER A 78 4.806 14.102 6.725 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.546 15.406 9.462 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.247 16.117 7.888 1.00 0.00 H new ATOM 0 HG SER A 78 2.270 15.651 9.031 1.00 0.00 H new ATOM 1598 N SER A 79 7.124 14.851 7.560 1.00 0.00 N ATOM 1599 CA SER A 79 8.577 14.916 7.912 1.00 0.00 C ATOM 1600 C SER A 79 8.748 15.438 9.349 1.00 0.00 C ATOM 1601 O SER A 79 9.626 15.003 10.074 1.00 0.00 O ATOM 1602 CB SER A 79 9.212 15.894 6.911 1.00 0.00 C ATOM 1603 OG SER A 79 8.227 16.375 5.994 1.00 0.00 O ATOM 0 H SER A 79 6.835 15.464 6.797 1.00 0.00 H new ATOM 0 HA SER A 79 9.047 13.934 7.862 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.661 16.731 7.445 1.00 0.00 H new ATOM 0 HB3 SER A 79 10.014 15.397 6.366 1.00 0.00 H new ATOM 0 HG SER A 79 8.644 16.998 5.363 1.00 0.00 H new ATOM 1609 N GLY A 80 7.916 16.365 9.755 1.00 0.00 N ATOM 1610 CA GLY A 80 8.010 16.932 11.137 1.00 0.00 C ATOM 1611 C GLY A 80 6.710 17.675 11.468 1.00 0.00 C ATOM 1612 O GLY A 80 5.960 17.966 10.553 1.00 0.00 O ATOM 1613 OXT GLY A 80 6.482 17.939 12.632 1.00 0.00 O ATOM 0 H GLY A 80 7.168 16.757 9.183 1.00 0.00 H new ATOM 0 HA2 GLY A 80 8.180 16.134 11.859 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.859 17.612 11.207 1.00 0.00 H new TER 1617 GLY A 80