USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 827 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 NoAdj-H: A 53 HIS HD1 : A 53 HIS ND1 : A 109 ZNZN :(H bumps) USER MOD Set 1.1: A 87 LYS NZ :NH3+ 171:sc= 0.271 (180deg=0) USER MOD Set 1.2: A 95 THR OG1 : rot 139:sc= 0.258 USER MOD Set 2.1: A 4 SER OG : rot 65:sc= 0.93 USER MOD Set 2.2: A 5 SER OG : rot 180:sc= 0.347 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -114:sc= 0.0402 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -160:sc= 1.23 (180deg=1.18) USER MOD Single : A 9 TYR OH : rot -138:sc= 0.74 USER MOD Single : A 13 TYR OH : rot 7:sc= 1.88 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 150:sc= 0.762 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 177:sc= 0.682 (180deg=0.673) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -159:sc= 1.24 (180deg=1.17) USER MOD Single : A 32 SER OG : rot -109:sc= 1.26 USER MOD Single : A 35 MET CE :methyl -168:sc= -0.082 (180deg=-0.349) USER MOD Single : A 38 MET CE :methyl 160:sc= -1.35 (180deg=-2.58!) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 130:sc= 0.342 USER MOD Single : A 43 MET CE :methyl 155:sc= -0.116 (180deg=-0.756) USER MOD Single : A 47 LYS NZ :NH3+ 163:sc= 1.23 (180deg=0.93) USER MOD Single : A 50 HIS : no HD1:sc= -0.0202 X(o=-0.02,f=-0.33) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 150:sc= 0.501 USER MOD Single : A 59 LYS NZ :NH3+ -147:sc= 1.43 (180deg=1.3) USER MOD Single : A 62 HIS : no HD1:sc= -0.187 X(o=-0.19,f=-0.0008) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS :FLIP no HD1:sc= -0.212 F(o=-0.75,f=-0.21) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 1.03 K(o=1,f=-0.44) USER MOD Single : A 83 GLN : amide:sc= 0.987 K(o=0.99,f=-0.027) USER MOD Single : A 84 LYS NZ :NH3+ 171:sc= 1.22 (180deg=1.03) USER MOD Single : A 86 LYS NZ :NH3+ 160:sc= 1.21 (180deg=1.06) USER MOD Single : A 88 THR OG1 : rot 64:sc= 1.2 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= 0.837 K(o=0.84,f=-5.6!) USER MOD Single : A 104 SER OG : rot -110:sc= 0.294 USER MOD Single : A 105 LYS NZ :NH3+ 173:sc= 1.22 (180deg=1.13) USER MOD Single : A 108 LYS NZ :NH3+ -147:sc= 1.24 (180deg=0.848) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.493 -18.357 15.478 1.00 0.00 N ATOM 2 CA MET A 1 0.897 -18.038 15.906 1.00 0.00 C ATOM 3 C MET A 1 1.390 -16.753 15.235 1.00 0.00 C ATOM 4 O MET A 1 0.923 -16.408 14.150 1.00 0.00 O ATOM 5 CB MET A 1 1.881 -19.195 15.624 1.00 0.00 C ATOM 6 CG MET A 1 1.585 -20.468 16.429 1.00 0.00 C ATOM 7 SD MET A 1 1.541 -20.237 18.230 1.00 0.00 S ATOM 8 CE MET A 1 1.218 -21.947 18.747 1.00 0.00 C ATOM 0 H1 MET A 1 -1.134 -18.276 16.293 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.790 -17.691 14.737 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.527 -19.327 15.105 1.00 0.00 H new ATOM 0 HA MET A 1 0.867 -17.891 16.986 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.852 -19.433 14.561 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.894 -18.861 15.849 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.626 -20.871 16.105 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.342 -21.216 16.191 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.159 -21.993 19.834 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.275 -22.285 18.318 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.026 -22.591 18.400 1.00 0.00 H new ATOM 20 N ALA A 2 2.340 -16.049 15.870 1.00 0.00 N ATOM 21 CA ALA A 2 2.974 -14.817 15.369 1.00 0.00 C ATOM 22 C ALA A 2 1.981 -13.722 14.911 1.00 0.00 C ATOM 23 O ALA A 2 2.143 -13.114 13.854 1.00 0.00 O ATOM 24 CB ALA A 2 4.051 -15.181 14.335 1.00 0.00 C ATOM 0 H ALA A 2 2.702 -16.332 16.781 1.00 0.00 H new ATOM 0 HA ALA A 2 3.469 -14.329 16.208 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.521 -14.270 13.963 1.00 0.00 H new ATOM 0 HB2 ALA A 2 4.805 -15.814 14.803 1.00 0.00 H new ATOM 0 HB3 ALA A 2 3.592 -15.717 13.505 1.00 0.00 H new ATOM 30 N GLU A 3 0.945 -13.464 15.716 1.00 0.00 N ATOM 31 CA GLU A 3 -0.053 -12.404 15.498 1.00 0.00 C ATOM 32 C GLU A 3 0.114 -11.257 16.517 1.00 0.00 C ATOM 33 O GLU A 3 0.437 -11.484 17.687 1.00 0.00 O ATOM 34 CB GLU A 3 -1.465 -13.027 15.514 1.00 0.00 C ATOM 35 CG GLU A 3 -2.625 -12.047 15.276 1.00 0.00 C ATOM 36 CD GLU A 3 -2.502 -11.298 13.941 1.00 0.00 C ATOM 37 OE1 GLU A 3 -1.816 -10.250 13.909 1.00 0.00 O ATOM 38 OE2 GLU A 3 -3.066 -11.743 12.913 1.00 0.00 O ATOM 0 H GLU A 3 0.770 -14.002 16.565 1.00 0.00 H new ATOM 0 HA GLU A 3 0.101 -11.949 14.519 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -1.508 -13.805 14.752 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -1.617 -13.515 16.477 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -3.568 -12.594 15.296 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -2.659 -11.325 16.092 1.00 0.00 H new ATOM 45 N SER A 4 -0.101 -10.022 16.061 1.00 0.00 N ATOM 46 CA SER A 4 0.079 -8.773 16.821 1.00 0.00 C ATOM 47 C SER A 4 -0.793 -7.596 16.350 1.00 0.00 C ATOM 48 O SER A 4 -0.841 -6.570 17.034 1.00 0.00 O ATOM 49 CB SER A 4 1.551 -8.340 16.728 1.00 0.00 C ATOM 50 OG SER A 4 1.951 -8.137 15.378 1.00 0.00 O ATOM 0 H SER A 4 -0.421 -9.852 15.107 1.00 0.00 H new ATOM 0 HA SER A 4 -0.231 -9.003 17.840 1.00 0.00 H new ATOM 0 HB2 SER A 4 1.697 -7.420 17.294 1.00 0.00 H new ATOM 0 HB3 SER A 4 2.184 -9.100 17.186 1.00 0.00 H new ATOM 0 HG SER A 4 1.445 -7.390 14.996 1.00 0.00 H new ATOM 56 N SER A 5 -1.451 -7.700 15.186 1.00 0.00 N ATOM 57 CA SER A 5 -1.877 -6.538 14.388 1.00 0.00 C ATOM 58 C SER A 5 -3.264 -6.722 13.763 1.00 0.00 C ATOM 59 O SER A 5 -3.486 -7.635 12.968 1.00 0.00 O ATOM 60 CB SER A 5 -0.843 -6.275 13.282 1.00 0.00 C ATOM 61 OG SER A 5 0.433 -6.002 13.843 1.00 0.00 O ATOM 0 H SER A 5 -1.704 -8.596 14.769 1.00 0.00 H new ATOM 0 HA SER A 5 -1.943 -5.686 15.064 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.779 -7.141 12.624 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.164 -5.433 12.670 1.00 0.00 H new ATOM 0 HG SER A 5 1.078 -5.839 13.124 1.00 0.00 H new ATOM 67 N ASP A 6 -4.189 -5.805 14.055 1.00 0.00 N ATOM 68 CA ASP A 6 -5.601 -5.859 13.627 1.00 0.00 C ATOM 69 C ASP A 6 -5.852 -5.373 12.177 1.00 0.00 C ATOM 70 O ASP A 6 -6.992 -5.100 11.788 1.00 0.00 O ATOM 71 CB ASP A 6 -6.466 -5.099 14.649 1.00 0.00 C ATOM 72 CG ASP A 6 -6.390 -5.719 16.054 1.00 0.00 C ATOM 73 OD1 ASP A 6 -7.061 -6.752 16.298 1.00 0.00 O ATOM 74 OD2 ASP A 6 -5.668 -5.171 16.921 1.00 0.00 O ATOM 0 H ASP A 6 -3.977 -4.977 14.612 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.891 -6.910 13.605 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -6.141 -4.060 14.695 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -7.503 -5.094 14.312 1.00 0.00 H new ATOM 79 N LYS A 7 -4.790 -5.250 11.369 1.00 0.00 N ATOM 80 CA LYS A 7 -4.773 -4.815 9.972 1.00 0.00 C ATOM 81 C LYS A 7 -3.815 -5.717 9.190 1.00 0.00 C ATOM 82 O LYS A 7 -2.903 -6.318 9.764 1.00 0.00 O ATOM 83 CB LYS A 7 -4.480 -3.298 9.834 1.00 0.00 C ATOM 84 CG LYS A 7 -3.796 -2.595 11.021 1.00 0.00 C ATOM 85 CD LYS A 7 -2.325 -3.003 11.195 1.00 0.00 C ATOM 86 CE LYS A 7 -1.744 -2.629 12.570 1.00 0.00 C ATOM 87 NZ LYS A 7 -1.929 -1.195 12.920 1.00 0.00 N ATOM 0 H LYS A 7 -3.852 -5.469 11.703 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.765 -4.928 9.534 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.855 -3.155 8.953 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.424 -2.789 9.641 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.853 -1.516 10.879 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.342 -2.826 11.936 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.235 -4.080 11.052 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.729 -2.527 10.416 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.215 -3.246 13.335 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.680 -2.864 12.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.250 -0.928 13.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.770 -0.608 12.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.897 -1.045 13.268 1.00 0.00 H new ATOM 101 N LEU A 8 -4.046 -5.834 7.888 1.00 0.00 N ATOM 102 CA LEU A 8 -3.298 -6.704 6.970 1.00 0.00 C ATOM 103 C LEU A 8 -2.470 -5.894 5.978 1.00 0.00 C ATOM 104 O LEU A 8 -1.618 -6.453 5.292 1.00 0.00 O ATOM 105 CB LEU A 8 -4.272 -7.623 6.206 1.00 0.00 C ATOM 106 CG LEU A 8 -5.243 -8.413 7.101 1.00 0.00 C ATOM 107 CD1 LEU A 8 -6.605 -7.719 7.221 1.00 0.00 C ATOM 108 CD2 LEU A 8 -5.489 -9.809 6.525 1.00 0.00 C ATOM 0 H LEU A 8 -4.785 -5.309 7.419 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.614 -7.307 7.567 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.852 -7.017 5.510 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.693 -8.328 5.609 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.776 -8.473 8.084 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.260 -8.310 7.861 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.471 -6.728 7.655 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.054 -7.625 6.232 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.178 -10.353 7.171 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.920 -9.720 5.528 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.544 -10.350 6.465 1.00 0.00 H new ATOM 120 N TYR A 9 -2.722 -4.589 5.906 1.00 0.00 N ATOM 121 CA TYR A 9 -2.267 -3.712 4.838 1.00 0.00 C ATOM 122 C TYR A 9 -1.765 -2.385 5.419 1.00 0.00 C ATOM 123 O TYR A 9 -2.133 -1.991 6.527 1.00 0.00 O ATOM 124 CB TYR A 9 -3.413 -3.499 3.829 1.00 0.00 C ATOM 125 CG TYR A 9 -4.147 -4.757 3.382 1.00 0.00 C ATOM 126 CD1 TYR A 9 -3.428 -5.837 2.842 1.00 0.00 C ATOM 127 CD2 TYR A 9 -5.545 -4.857 3.520 1.00 0.00 C ATOM 128 CE1 TYR A 9 -4.090 -7.012 2.440 1.00 0.00 C ATOM 129 CE2 TYR A 9 -6.220 -6.027 3.113 1.00 0.00 C ATOM 130 CZ TYR A 9 -5.492 -7.105 2.562 1.00 0.00 C ATOM 131 OH TYR A 9 -6.130 -8.227 2.133 1.00 0.00 O ATOM 0 H TYR A 9 -3.267 -4.100 6.615 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.431 -4.172 4.312 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.138 -2.816 4.271 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.007 -3.005 2.946 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.356 -5.764 2.734 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.103 -4.033 3.940 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.526 -7.841 2.039 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.292 -6.098 3.223 1.00 0.00 H new ATOM 0 HH TYR A 9 -6.954 -7.976 1.666 1.00 0.00 H new ATOM 141 N ARG A 10 -0.921 -1.689 4.661 1.00 0.00 N ATOM 142 CA ARG A 10 -0.279 -0.411 5.004 1.00 0.00 C ATOM 143 C ARG A 10 -0.226 0.472 3.754 1.00 0.00 C ATOM 144 O ARG A 10 -0.098 -0.066 2.659 1.00 0.00 O ATOM 145 CB ARG A 10 1.118 -0.716 5.591 1.00 0.00 C ATOM 146 CG ARG A 10 2.129 0.443 5.718 1.00 0.00 C ATOM 147 CD ARG A 10 1.745 1.430 6.830 1.00 0.00 C ATOM 148 NE ARG A 10 2.569 2.655 6.856 1.00 0.00 N ATOM 149 CZ ARG A 10 2.278 3.754 7.534 1.00 0.00 C ATOM 150 NH1 ARG A 10 1.312 3.849 8.393 1.00 0.00 N ATOM 151 NH2 ARG A 10 2.968 4.837 7.380 1.00 0.00 N ATOM 0 H ARG A 10 -0.647 -2.017 3.735 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.843 0.139 5.757 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.975 -1.142 6.584 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.576 -1.490 4.975 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.120 0.037 5.921 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.191 0.975 4.768 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.699 1.711 6.707 1.00 0.00 H new ATOM 0 HD3 ARG A 10 1.829 0.927 7.793 1.00 0.00 H new ATOM 0 HE ARG A 10 3.430 2.654 6.309 1.00 0.00 H new ATOM 0 HH11 ARG A 10 0.717 3.042 8.583 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.147 4.730 8.879 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.752 4.854 6.727 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.729 5.674 7.911 1.00 0.00 H new ATOM 165 N VAL A 11 -0.309 1.794 3.894 1.00 0.00 N ATOM 166 CA VAL A 11 -0.113 2.785 2.818 1.00 0.00 C ATOM 167 C VAL A 11 0.563 4.057 3.341 1.00 0.00 C ATOM 168 O VAL A 11 0.349 4.448 4.489 1.00 0.00 O ATOM 169 CB VAL A 11 -1.459 3.098 2.138 1.00 0.00 C ATOM 170 CG1 VAL A 11 -2.365 4.020 2.966 1.00 0.00 C ATOM 171 CG2 VAL A 11 -1.260 3.742 0.761 1.00 0.00 C ATOM 0 H VAL A 11 -0.523 2.229 4.792 1.00 0.00 H new ATOM 0 HA VAL A 11 0.557 2.356 2.073 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.949 2.129 2.040 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.295 4.197 2.426 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.586 3.549 3.924 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.858 4.970 3.137 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.232 3.948 0.312 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.706 4.674 0.872 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.701 3.062 0.119 1.00 0.00 H new ATOM 181 N GLU A 12 1.383 4.706 2.513 1.00 0.00 N ATOM 182 CA GLU A 12 2.057 5.968 2.825 1.00 0.00 C ATOM 183 C GLU A 12 2.672 6.601 1.578 1.00 0.00 C ATOM 184 O GLU A 12 2.976 5.934 0.585 1.00 0.00 O ATOM 185 CB GLU A 12 3.175 5.754 3.868 1.00 0.00 C ATOM 186 CG GLU A 12 4.286 4.793 3.412 1.00 0.00 C ATOM 187 CD GLU A 12 5.370 4.623 4.487 1.00 0.00 C ATOM 188 OE1 GLU A 12 5.022 4.323 5.653 1.00 0.00 O ATOM 189 OE2 GLU A 12 6.570 4.765 4.151 1.00 0.00 O ATOM 0 H GLU A 12 1.603 4.358 1.580 1.00 0.00 H new ATOM 0 HA GLU A 12 1.297 6.637 3.229 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.621 6.719 4.109 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.731 5.369 4.786 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.852 3.821 3.177 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.739 5.170 2.495 1.00 0.00 H new ATOM 196 N TYR A 13 2.940 7.897 1.681 1.00 0.00 N ATOM 197 CA TYR A 13 3.929 8.556 0.836 1.00 0.00 C ATOM 198 C TYR A 13 5.359 8.203 1.265 1.00 0.00 C ATOM 199 O TYR A 13 5.683 8.179 2.456 1.00 0.00 O ATOM 200 CB TYR A 13 3.706 10.064 0.882 1.00 0.00 C ATOM 201 CG TYR A 13 2.283 10.477 0.578 1.00 0.00 C ATOM 202 CD1 TYR A 13 1.682 10.086 -0.633 1.00 0.00 C ATOM 203 CD2 TYR A 13 1.558 11.234 1.516 1.00 0.00 C ATOM 204 CE1 TYR A 13 0.398 10.555 -0.962 1.00 0.00 C ATOM 205 CE2 TYR A 13 0.271 11.700 1.195 1.00 0.00 C ATOM 206 CZ TYR A 13 -0.302 11.378 -0.053 1.00 0.00 C ATOM 207 OH TYR A 13 -1.540 11.836 -0.357 1.00 0.00 O ATOM 0 H TYR A 13 2.481 8.518 2.348 1.00 0.00 H new ATOM 0 HA TYR A 13 3.805 8.203 -0.188 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.979 10.433 1.871 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.375 10.543 0.167 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.206 9.427 -1.309 1.00 0.00 H new ATOM 0 HD2 TYR A 13 1.989 11.457 2.481 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.051 10.287 -1.907 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.278 12.303 1.903 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.847 11.421 -1.190 1.00 0.00 H new ATOM 217 N ALA A 14 6.231 7.962 0.290 1.00 0.00 N ATOM 218 CA ALA A 14 7.632 7.633 0.513 1.00 0.00 C ATOM 219 C ALA A 14 8.470 8.893 0.810 1.00 0.00 C ATOM 220 O ALA A 14 8.757 9.683 -0.092 1.00 0.00 O ATOM 221 CB ALA A 14 8.123 6.865 -0.719 1.00 0.00 C ATOM 0 H ALA A 14 5.976 7.991 -0.697 1.00 0.00 H new ATOM 0 HA ALA A 14 7.746 7.006 1.397 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.172 6.600 -0.588 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.532 5.957 -0.841 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.014 7.491 -1.605 1.00 0.00 H new ATOM 227 N LYS A 15 8.899 9.074 2.065 1.00 0.00 N ATOM 228 CA LYS A 15 9.768 10.193 2.495 1.00 0.00 C ATOM 229 C LYS A 15 11.252 9.975 2.147 1.00 0.00 C ATOM 230 O LYS A 15 11.994 10.937 1.956 1.00 0.00 O ATOM 231 CB LYS A 15 9.545 10.414 4.006 1.00 0.00 C ATOM 232 CG LYS A 15 10.281 11.614 4.631 1.00 0.00 C ATOM 233 CD LYS A 15 9.887 12.967 4.010 1.00 0.00 C ATOM 234 CE LYS A 15 10.600 14.151 4.681 1.00 0.00 C ATOM 235 NZ LYS A 15 10.115 14.403 6.066 1.00 0.00 N ATOM 0 H LYS A 15 8.652 8.442 2.827 1.00 0.00 H new ATOM 0 HA LYS A 15 9.491 11.092 1.944 1.00 0.00 H new ATOM 0 HB2 LYS A 15 8.476 10.538 4.181 1.00 0.00 H new ATOM 0 HB3 LYS A 15 9.851 9.511 4.534 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.074 11.640 5.701 1.00 0.00 H new ATOM 0 HG3 LYS A 15 11.356 11.470 4.518 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.126 12.958 2.946 1.00 0.00 H new ATOM 0 HD3 LYS A 15 8.809 13.101 4.094 1.00 0.00 H new ATOM 0 HE2 LYS A 15 11.672 13.958 4.705 1.00 0.00 H new ATOM 0 HE3 LYS A 15 10.451 15.048 4.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.628 15.211 6.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.097 14.615 6.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.280 13.559 6.651 1.00 0.00 H new ATOM 249 N SER A 16 11.669 8.714 2.030 1.00 0.00 N ATOM 250 CA SER A 16 13.015 8.261 1.661 1.00 0.00 C ATOM 251 C SER A 16 12.915 6.868 1.024 1.00 0.00 C ATOM 252 O SER A 16 12.132 6.024 1.478 1.00 0.00 O ATOM 253 CB SER A 16 13.933 8.237 2.887 1.00 0.00 C ATOM 254 OG SER A 16 15.285 8.133 2.469 1.00 0.00 O ATOM 0 H SER A 16 11.038 7.931 2.201 1.00 0.00 H new ATOM 0 HA SER A 16 13.448 8.956 0.941 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.793 9.143 3.476 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.675 7.396 3.530 1.00 0.00 H new ATOM 0 HG SER A 16 15.864 8.579 3.122 1.00 0.00 H new ATOM 260 N GLY A 17 13.665 6.613 -0.048 1.00 0.00 N ATOM 261 CA GLY A 17 13.537 5.416 -0.885 1.00 0.00 C ATOM 262 C GLY A 17 14.294 4.191 -0.364 1.00 0.00 C ATOM 263 O GLY A 17 15.085 3.594 -1.098 1.00 0.00 O ATOM 0 H GLY A 17 14.397 7.247 -0.368 1.00 0.00 H new ATOM 0 HA2 GLY A 17 12.481 5.163 -0.975 1.00 0.00 H new ATOM 0 HA3 GLY A 17 13.896 5.649 -1.887 1.00 0.00 H new ATOM 267 N ARG A 18 14.096 3.850 0.917 1.00 0.00 N ATOM 268 CA ARG A 18 14.794 2.758 1.628 1.00 0.00 C ATOM 269 C ARG A 18 14.157 1.376 1.431 1.00 0.00 C ATOM 270 O ARG A 18 14.826 0.361 1.626 1.00 0.00 O ATOM 271 CB ARG A 18 14.867 3.078 3.136 1.00 0.00 C ATOM 272 CG ARG A 18 15.404 4.472 3.499 1.00 0.00 C ATOM 273 CD ARG A 18 16.809 4.755 2.954 1.00 0.00 C ATOM 274 NE ARG A 18 17.207 6.135 3.284 1.00 0.00 N ATOM 275 CZ ARG A 18 18.226 6.550 4.012 1.00 0.00 C ATOM 276 NH1 ARG A 18 19.103 5.737 4.529 1.00 0.00 N ATOM 277 NH2 ARG A 18 18.376 7.822 4.240 1.00 0.00 N ATOM 0 H ARG A 18 13.425 4.339 1.510 1.00 0.00 H new ATOM 0 HA ARG A 18 15.791 2.704 1.191 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.868 2.973 3.559 1.00 0.00 H new ATOM 0 HB3 ARG A 18 15.497 2.330 3.617 1.00 0.00 H new ATOM 0 HG2 ARG A 18 14.717 5.227 3.116 1.00 0.00 H new ATOM 0 HG3 ARG A 18 15.418 4.575 4.584 1.00 0.00 H new ATOM 0 HD2 ARG A 18 17.523 4.050 3.380 1.00 0.00 H new ATOM 0 HD3 ARG A 18 16.825 4.611 1.874 1.00 0.00 H new ATOM 0 HE ARG A 18 16.614 6.869 2.897 1.00 0.00 H new ATOM 0 HH11 ARG A 18 19.018 4.732 4.378 1.00 0.00 H new ATOM 0 HH12 ARG A 18 19.874 6.106 5.085 1.00 0.00 H new ATOM 0 HH21 ARG A 18 17.708 8.491 3.857 1.00 0.00 H new ATOM 0 HH22 ARG A 18 19.161 8.150 4.802 1.00 0.00 H new ATOM 291 N ALA A 19 12.870 1.332 1.080 1.00 0.00 N ATOM 292 CA ALA A 19 12.081 0.108 0.964 1.00 0.00 C ATOM 293 C ALA A 19 12.288 -0.607 -0.387 1.00 0.00 C ATOM 294 O ALA A 19 12.536 0.029 -1.416 1.00 0.00 O ATOM 295 CB ALA A 19 10.610 0.455 1.231 1.00 0.00 C ATOM 0 H ALA A 19 12.334 2.172 0.863 1.00 0.00 H new ATOM 0 HA ALA A 19 12.421 -0.611 1.709 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.003 -0.447 1.149 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.510 0.870 2.234 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.271 1.189 0.500 1.00 0.00 H new ATOM 301 N SER A 20 12.132 -1.934 -0.387 1.00 0.00 N ATOM 302 CA SER A 20 12.337 -2.801 -1.560 1.00 0.00 C ATOM 303 C SER A 20 11.051 -3.544 -1.915 1.00 0.00 C ATOM 304 O SER A 20 10.417 -4.128 -1.031 1.00 0.00 O ATOM 305 CB SER A 20 13.468 -3.807 -1.326 1.00 0.00 C ATOM 306 OG SER A 20 14.677 -3.147 -0.981 1.00 0.00 O ATOM 0 H SER A 20 11.853 -2.451 0.447 1.00 0.00 H new ATOM 0 HA SER A 20 12.619 -2.157 -2.393 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.187 -4.496 -0.530 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.620 -4.404 -2.225 1.00 0.00 H new ATOM 0 HG SER A 20 15.382 -3.812 -0.835 1.00 0.00 H new ATOM 312 N CYS A 21 10.684 -3.537 -3.197 1.00 0.00 N ATOM 313 CA CYS A 21 9.420 -4.072 -3.692 1.00 0.00 C ATOM 314 C CYS A 21 9.386 -5.611 -3.672 1.00 0.00 C ATOM 315 O CYS A 21 10.399 -6.285 -3.890 1.00 0.00 O ATOM 316 CB CYS A 21 9.185 -3.484 -5.080 1.00 0.00 C ATOM 317 SG CYS A 21 7.475 -3.773 -5.660 1.00 0.00 S ATOM 0 H CYS A 21 11.272 -3.150 -3.935 1.00 0.00 H new ATOM 0 HA CYS A 21 8.603 -3.779 -3.032 1.00 0.00 H new ATOM 0 HB2 CYS A 21 9.386 -2.413 -5.060 1.00 0.00 H new ATOM 0 HB3 CYS A 21 9.888 -3.927 -5.786 1.00 0.00 H new ATOM 322 N LYS A 22 8.201 -6.163 -3.400 1.00 0.00 N ATOM 323 CA LYS A 22 7.969 -7.593 -3.110 1.00 0.00 C ATOM 324 C LYS A 22 7.230 -8.341 -4.229 1.00 0.00 C ATOM 325 O LYS A 22 6.951 -9.535 -4.094 1.00 0.00 O ATOM 326 CB LYS A 22 7.263 -7.700 -1.746 1.00 0.00 C ATOM 327 CG LYS A 22 8.081 -7.121 -0.595 1.00 0.00 C ATOM 328 CD LYS A 22 9.147 -8.102 -0.109 1.00 0.00 C ATOM 329 CE LYS A 22 9.932 -7.498 1.055 1.00 0.00 C ATOM 330 NZ LYS A 22 10.884 -6.446 0.606 1.00 0.00 N ATOM 0 H LYS A 22 7.342 -5.613 -3.373 1.00 0.00 H new ATOM 0 HA LYS A 22 8.933 -8.099 -3.062 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.306 -7.182 -1.799 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.047 -8.748 -1.538 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.558 -6.196 -0.917 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.417 -6.866 0.231 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.677 -9.034 0.205 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.826 -8.347 -0.926 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.236 -7.071 1.778 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.481 -8.287 1.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.357 -6.030 1.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.596 -6.868 -0.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.365 -5.704 0.094 1.00 0.00 H new ATOM 344 N LYS A 23 6.939 -7.650 -5.339 1.00 0.00 N ATOM 345 CA LYS A 23 6.287 -8.188 -6.551 1.00 0.00 C ATOM 346 C LYS A 23 7.153 -8.031 -7.806 1.00 0.00 C ATOM 347 O LYS A 23 7.374 -9.025 -8.499 1.00 0.00 O ATOM 348 CB LYS A 23 4.894 -7.549 -6.696 1.00 0.00 C ATOM 349 CG LYS A 23 4.099 -7.913 -7.958 1.00 0.00 C ATOM 350 CD LYS A 23 3.872 -9.421 -8.149 1.00 0.00 C ATOM 351 CE LYS A 23 2.911 -9.660 -9.319 1.00 0.00 C ATOM 352 NZ LYS A 23 2.629 -11.106 -9.519 1.00 0.00 N ATOM 0 H LYS A 23 7.159 -6.658 -5.426 1.00 0.00 H new ATOM 0 HA LYS A 23 6.163 -9.265 -6.438 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.299 -7.828 -5.826 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.011 -6.466 -6.668 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.131 -7.414 -7.920 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.625 -7.523 -8.830 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.822 -9.919 -8.340 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.463 -9.854 -7.236 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.976 -9.130 -9.135 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.339 -9.244 -10.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.975 -11.225 -10.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.517 -11.608 -9.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.197 -11.498 -8.658 1.00 0.00 H new ATOM 366 N CYS A 24 7.663 -6.824 -8.083 1.00 0.00 N ATOM 367 CA CYS A 24 8.551 -6.573 -9.232 1.00 0.00 C ATOM 368 C CYS A 24 10.062 -6.688 -8.903 1.00 0.00 C ATOM 369 O CYS A 24 10.897 -6.711 -9.813 1.00 0.00 O ATOM 370 CB CYS A 24 8.153 -5.263 -9.931 1.00 0.00 C ATOM 371 SG CYS A 24 8.750 -3.781 -9.039 1.00 0.00 S ATOM 0 H CYS A 24 7.474 -5.994 -7.520 1.00 0.00 H new ATOM 0 HA CYS A 24 8.401 -7.382 -9.947 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.555 -5.259 -10.944 1.00 0.00 H new ATOM 0 HB3 CYS A 24 7.067 -5.217 -10.019 1.00 0.00 H new ATOM 376 N SER A 25 10.407 -6.831 -7.616 1.00 0.00 N ATOM 377 CA SER A 25 11.775 -7.010 -7.093 1.00 0.00 C ATOM 378 C SER A 25 12.752 -5.856 -7.400 1.00 0.00 C ATOM 379 O SER A 25 13.971 -6.046 -7.399 1.00 0.00 O ATOM 380 CB SER A 25 12.346 -8.390 -7.462 1.00 0.00 C ATOM 381 OG SER A 25 11.473 -9.431 -7.037 1.00 0.00 O ATOM 0 H SER A 25 9.708 -6.825 -6.873 1.00 0.00 H new ATOM 0 HA SER A 25 11.669 -6.972 -6.009 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.493 -8.451 -8.540 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.324 -8.519 -6.999 1.00 0.00 H new ATOM 0 HG SER A 25 11.855 -10.299 -7.283 1.00 0.00 H new ATOM 387 N GLU A 26 12.230 -4.648 -7.631 1.00 0.00 N ATOM 388 CA GLU A 26 12.998 -3.394 -7.682 1.00 0.00 C ATOM 389 C GLU A 26 12.929 -2.666 -6.319 1.00 0.00 C ATOM 390 O GLU A 26 12.587 -3.276 -5.302 1.00 0.00 O ATOM 391 CB GLU A 26 12.501 -2.526 -8.858 1.00 0.00 C ATOM 392 CG GLU A 26 12.647 -3.185 -10.241 1.00 0.00 C ATOM 393 CD GLU A 26 14.101 -3.578 -10.589 1.00 0.00 C ATOM 394 OE1 GLU A 26 15.048 -2.826 -10.254 1.00 0.00 O ATOM 395 OE2 GLU A 26 14.309 -4.634 -11.237 1.00 0.00 O ATOM 0 H GLU A 26 11.233 -4.508 -7.793 1.00 0.00 H new ATOM 0 HA GLU A 26 14.051 -3.608 -7.865 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.451 -2.281 -8.695 1.00 0.00 H new ATOM 0 HB3 GLU A 26 13.052 -1.585 -8.857 1.00 0.00 H new ATOM 0 HG2 GLU A 26 12.020 -4.076 -10.278 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.273 -2.500 -11.002 1.00 0.00 H new ATOM 402 N SER A 27 13.251 -1.369 -6.268 1.00 0.00 N ATOM 403 CA SER A 27 13.268 -0.575 -5.028 1.00 0.00 C ATOM 404 C SER A 27 12.386 0.670 -5.127 1.00 0.00 C ATOM 405 O SER A 27 12.233 1.270 -6.191 1.00 0.00 O ATOM 406 CB SER A 27 14.693 -0.235 -4.590 1.00 0.00 C ATOM 407 OG SER A 27 15.479 -1.408 -4.447 1.00 0.00 O ATOM 0 H SER A 27 13.511 -0.832 -7.095 1.00 0.00 H new ATOM 0 HA SER A 27 12.836 -1.201 -4.247 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.153 0.427 -5.323 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.666 0.306 -3.644 1.00 0.00 H new ATOM 0 HG SER A 27 16.386 -1.162 -4.168 1.00 0.00 H new ATOM 413 N ILE A 28 11.754 1.041 -4.016 1.00 0.00 N ATOM 414 CA ILE A 28 10.634 1.987 -3.980 1.00 0.00 C ATOM 415 C ILE A 28 11.175 3.405 -3.705 1.00 0.00 C ATOM 416 O ILE A 28 11.708 3.631 -2.618 1.00 0.00 O ATOM 417 CB ILE A 28 9.600 1.526 -2.928 1.00 0.00 C ATOM 418 CG1 ILE A 28 9.183 0.043 -3.117 1.00 0.00 C ATOM 419 CG2 ILE A 28 8.363 2.436 -3.007 1.00 0.00 C ATOM 420 CD1 ILE A 28 8.379 -0.521 -1.941 1.00 0.00 C ATOM 0 H ILE A 28 12.009 0.687 -3.094 1.00 0.00 H new ATOM 0 HA ILE A 28 10.121 2.015 -4.941 1.00 0.00 H new ATOM 0 HB ILE A 28 10.065 1.601 -1.945 1.00 0.00 H new ATOM 0 HG12 ILE A 28 8.591 -0.046 -4.028 1.00 0.00 H new ATOM 0 HG13 ILE A 28 10.078 -0.563 -3.258 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.629 2.117 -2.267 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.656 3.467 -2.806 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.926 2.371 -4.004 1.00 0.00 H new ATOM 0 HD11 ILE A 28 8.122 -1.561 -2.142 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.976 -0.464 -1.031 1.00 0.00 H new ATOM 0 HD13 ILE A 28 7.466 0.060 -1.812 1.00 0.00 H new ATOM 432 N PRO A 29 11.097 4.356 -4.658 1.00 0.00 N ATOM 433 CA PRO A 29 11.721 5.679 -4.543 1.00 0.00 C ATOM 434 C PRO A 29 10.948 6.623 -3.612 1.00 0.00 C ATOM 435 O PRO A 29 9.742 6.465 -3.415 1.00 0.00 O ATOM 436 CB PRO A 29 11.758 6.221 -5.976 1.00 0.00 C ATOM 437 CG PRO A 29 10.474 5.645 -6.568 1.00 0.00 C ATOM 438 CD PRO A 29 10.420 4.249 -5.946 1.00 0.00 C ATOM 0 HA PRO A 29 12.713 5.605 -4.097 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.765 7.311 -6.000 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.643 5.885 -6.516 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.601 6.242 -6.302 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.512 5.603 -7.657 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.389 3.918 -5.819 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.913 3.517 -6.586 1.00 0.00 H new ATOM 446 N LYS A 30 11.621 7.651 -3.078 1.00 0.00 N ATOM 447 CA LYS A 30 10.944 8.778 -2.409 1.00 0.00 C ATOM 448 C LYS A 30 10.083 9.603 -3.378 1.00 0.00 C ATOM 449 O LYS A 30 10.259 9.537 -4.596 1.00 0.00 O ATOM 450 CB LYS A 30 11.944 9.637 -1.620 1.00 0.00 C ATOM 451 CG LYS A 30 12.931 10.418 -2.494 1.00 0.00 C ATOM 452 CD LYS A 30 13.988 11.175 -1.671 1.00 0.00 C ATOM 453 CE LYS A 30 13.426 12.294 -0.779 1.00 0.00 C ATOM 454 NZ LYS A 30 12.921 13.449 -1.565 1.00 0.00 N ATOM 0 H LYS A 30 12.638 7.728 -3.095 1.00 0.00 H new ATOM 0 HA LYS A 30 10.247 8.357 -1.685 1.00 0.00 H new ATOM 0 HB2 LYS A 30 11.390 10.341 -1.000 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.506 8.992 -0.945 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.432 9.728 -3.173 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.380 11.128 -3.110 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.520 10.461 -1.043 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.720 11.606 -2.354 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.618 11.894 -0.166 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.204 12.636 -0.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.888 14.294 -0.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.555 13.625 -2.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.965 13.238 -1.917 1.00 0.00 H new ATOM 468 N ASP A 31 9.149 10.377 -2.824 1.00 0.00 N ATOM 469 CA ASP A 31 8.120 11.131 -3.558 1.00 0.00 C ATOM 470 C ASP A 31 7.244 10.232 -4.463 1.00 0.00 C ATOM 471 O ASP A 31 6.871 10.598 -5.581 1.00 0.00 O ATOM 472 CB ASP A 31 8.722 12.366 -4.258 1.00 0.00 C ATOM 473 CG ASP A 31 9.389 13.323 -3.261 1.00 0.00 C ATOM 474 OD1 ASP A 31 8.674 14.145 -2.639 1.00 0.00 O ATOM 475 OD2 ASP A 31 10.631 13.262 -3.095 1.00 0.00 O ATOM 0 H ASP A 31 9.082 10.504 -1.814 1.00 0.00 H new ATOM 0 HA ASP A 31 7.413 11.526 -2.828 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.456 12.043 -4.996 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.937 12.895 -4.799 1.00 0.00 H new ATOM 480 N SER A 32 6.908 9.039 -3.957 1.00 0.00 N ATOM 481 CA SER A 32 5.978 8.069 -4.550 1.00 0.00 C ATOM 482 C SER A 32 4.927 7.631 -3.524 1.00 0.00 C ATOM 483 O SER A 32 5.045 7.933 -2.331 1.00 0.00 O ATOM 484 CB SER A 32 6.741 6.858 -5.109 1.00 0.00 C ATOM 485 OG SER A 32 7.191 5.992 -4.082 1.00 0.00 O ATOM 0 H SER A 32 7.298 8.706 -3.075 1.00 0.00 H new ATOM 0 HA SER A 32 5.460 8.552 -5.378 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.094 6.306 -5.791 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.595 7.205 -5.690 1.00 0.00 H new ATOM 0 HG SER A 32 8.165 6.060 -4.000 1.00 0.00 H new ATOM 491 N LEU A 33 3.896 6.918 -3.975 1.00 0.00 N ATOM 492 CA LEU A 33 2.905 6.257 -3.129 1.00 0.00 C ATOM 493 C LEU A 33 3.269 4.767 -3.015 1.00 0.00 C ATOM 494 O LEU A 33 3.515 4.100 -4.026 1.00 0.00 O ATOM 495 CB LEU A 33 1.510 6.503 -3.738 1.00 0.00 C ATOM 496 CG LEU A 33 0.331 5.948 -2.919 1.00 0.00 C ATOM 497 CD1 LEU A 33 0.149 6.665 -1.584 1.00 0.00 C ATOM 498 CD2 LEU A 33 -0.970 6.117 -3.703 1.00 0.00 C ATOM 0 H LEU A 33 3.722 6.781 -4.971 1.00 0.00 H new ATOM 0 HA LEU A 33 2.894 6.659 -2.116 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.370 7.577 -3.864 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.482 6.059 -4.733 1.00 0.00 H new ATOM 0 HG LEU A 33 0.559 4.899 -2.729 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.697 6.231 -1.050 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.052 6.553 -0.985 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.039 7.724 -1.762 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.801 5.722 -3.118 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.138 7.175 -3.905 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.900 5.574 -4.646 1.00 0.00 H new ATOM 510 N ARG A 34 3.299 4.236 -1.788 1.00 0.00 N ATOM 511 CA ARG A 34 3.688 2.851 -1.493 1.00 0.00 C ATOM 512 C ARG A 34 2.748 2.202 -0.490 1.00 0.00 C ATOM 513 O ARG A 34 2.145 2.876 0.342 1.00 0.00 O ATOM 514 CB ARG A 34 5.175 2.774 -1.101 1.00 0.00 C ATOM 515 CG ARG A 34 5.598 3.462 0.208 1.00 0.00 C ATOM 516 CD ARG A 34 7.113 3.284 0.409 1.00 0.00 C ATOM 517 NE ARG A 34 7.609 3.961 1.622 1.00 0.00 N ATOM 518 CZ ARG A 34 8.823 4.421 1.862 1.00 0.00 C ATOM 519 NH1 ARG A 34 9.803 4.361 1.005 1.00 0.00 N ATOM 520 NH2 ARG A 34 9.055 4.989 3.003 1.00 0.00 N ATOM 0 H ARG A 34 3.048 4.767 -0.954 1.00 0.00 H new ATOM 0 HA ARG A 34 3.583 2.258 -2.401 1.00 0.00 H new ATOM 0 HB2 ARG A 34 5.451 1.722 -1.033 1.00 0.00 H new ATOM 0 HB3 ARG A 34 5.760 3.206 -1.913 1.00 0.00 H new ATOM 0 HG2 ARG A 34 5.346 4.522 0.173 1.00 0.00 H new ATOM 0 HG3 ARG A 34 5.055 3.033 1.050 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.345 2.221 0.471 1.00 0.00 H new ATOM 0 HD3 ARG A 34 7.639 3.675 -0.462 1.00 0.00 H new ATOM 0 HE ARG A 34 6.928 4.090 2.370 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.654 3.940 0.088 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.719 4.735 1.251 1.00 0.00 H new ATOM 0 HH21 ARG A 34 8.308 5.073 3.692 1.00 0.00 H new ATOM 0 HH22 ARG A 34 9.985 5.352 3.212 1.00 0.00 H new ATOM 534 N MET A 35 2.621 0.886 -0.602 1.00 0.00 N ATOM 535 CA MET A 35 1.799 0.030 0.250 1.00 0.00 C ATOM 536 C MET A 35 2.642 -1.085 0.857 1.00 0.00 C ATOM 537 O MET A 35 3.722 -1.391 0.364 1.00 0.00 O ATOM 538 CB MET A 35 0.582 -0.522 -0.520 1.00 0.00 C ATOM 539 CG MET A 35 -0.473 0.563 -0.753 1.00 0.00 C ATOM 540 SD MET A 35 -2.027 0.049 -1.543 1.00 0.00 S ATOM 541 CE MET A 35 -2.810 -0.870 -0.184 1.00 0.00 C ATOM 0 H MET A 35 3.112 0.359 -1.324 1.00 0.00 H new ATOM 0 HA MET A 35 1.408 0.633 1.069 1.00 0.00 H new ATOM 0 HB2 MET A 35 0.909 -0.925 -1.479 1.00 0.00 H new ATOM 0 HB3 MET A 35 0.140 -1.347 0.039 1.00 0.00 H new ATOM 0 HG2 MET A 35 -0.715 1.012 0.210 1.00 0.00 H new ATOM 0 HG3 MET A 35 -0.025 1.345 -1.365 1.00 0.00 H new ATOM 0 HE1 MET A 35 -3.665 -1.427 -0.567 1.00 0.00 H new ATOM 0 HE2 MET A 35 -2.089 -1.564 0.248 1.00 0.00 H new ATOM 0 HE3 MET A 35 -3.145 -0.171 0.582 1.00 0.00 H new ATOM 551 N ALA A 36 2.175 -1.673 1.951 1.00 0.00 N ATOM 552 CA ALA A 36 2.820 -2.812 2.598 1.00 0.00 C ATOM 553 C ALA A 36 1.786 -3.847 3.061 1.00 0.00 C ATOM 554 O ALA A 36 0.590 -3.552 3.119 1.00 0.00 O ATOM 555 CB ALA A 36 3.735 -2.320 3.731 1.00 0.00 C ATOM 0 H ALA A 36 1.324 -1.368 2.423 1.00 0.00 H new ATOM 0 HA ALA A 36 3.451 -3.329 1.875 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.213 -3.175 4.210 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.499 -1.659 3.321 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.143 -1.777 4.467 1.00 0.00 H new ATOM 561 N ILE A 37 2.247 -5.050 3.407 1.00 0.00 N ATOM 562 CA ILE A 37 1.413 -6.136 3.930 1.00 0.00 C ATOM 563 C ILE A 37 1.933 -6.603 5.279 1.00 0.00 C ATOM 564 O ILE A 37 3.136 -6.779 5.446 1.00 0.00 O ATOM 565 CB ILE A 37 1.320 -7.265 2.879 1.00 0.00 C ATOM 566 CG1 ILE A 37 0.051 -7.006 2.055 1.00 0.00 C ATOM 567 CG2 ILE A 37 1.310 -8.683 3.466 1.00 0.00 C ATOM 568 CD1 ILE A 37 -0.030 -7.794 0.750 1.00 0.00 C ATOM 0 H ILE A 37 3.232 -5.303 3.330 1.00 0.00 H new ATOM 0 HA ILE A 37 0.398 -5.782 4.108 1.00 0.00 H new ATOM 0 HB ILE A 37 2.221 -7.236 2.266 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.819 -7.249 2.665 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.007 -5.942 1.826 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.243 -9.411 2.658 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.228 -8.850 4.029 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.452 -8.796 4.129 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.958 -7.549 0.234 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.817 -7.535 0.115 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.007 -8.862 0.968 1.00 0.00 H new ATOM 580 N MET A 38 1.027 -6.834 6.227 1.00 0.00 N ATOM 581 CA MET A 38 1.350 -7.383 7.539 1.00 0.00 C ATOM 582 C MET A 38 1.322 -8.912 7.460 1.00 0.00 C ATOM 583 O MET A 38 0.253 -9.521 7.529 1.00 0.00 O ATOM 584 CB MET A 38 0.363 -6.826 8.593 1.00 0.00 C ATOM 585 CG MET A 38 0.206 -5.295 8.646 1.00 0.00 C ATOM 586 SD MET A 38 1.350 -4.391 9.724 1.00 0.00 S ATOM 587 CE MET A 38 2.927 -4.934 9.034 1.00 0.00 C ATOM 0 H MET A 38 0.033 -6.642 6.102 1.00 0.00 H new ATOM 0 HA MET A 38 2.352 -7.084 7.847 1.00 0.00 H new ATOM 0 HB2 MET A 38 -0.618 -7.263 8.406 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.684 -7.170 9.576 1.00 0.00 H new ATOM 0 HG2 MET A 38 0.316 -4.907 7.633 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.811 -5.069 8.965 1.00 0.00 H new ATOM 0 HE1 MET A 38 3.710 -4.232 9.320 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.170 -5.925 9.418 1.00 0.00 H new ATOM 0 HE3 MET A 38 2.854 -4.974 7.947 1.00 0.00 H new ATOM 597 N VAL A 39 2.498 -9.539 7.348 1.00 0.00 N ATOM 598 CA VAL A 39 2.636 -11.010 7.334 1.00 0.00 C ATOM 599 C VAL A 39 3.173 -11.530 8.664 1.00 0.00 C ATOM 600 O VAL A 39 4.113 -10.977 9.230 1.00 0.00 O ATOM 601 CB VAL A 39 3.444 -11.519 6.124 1.00 0.00 C ATOM 602 CG1 VAL A 39 4.890 -11.026 6.100 1.00 0.00 C ATOM 603 CG2 VAL A 39 3.444 -13.050 6.033 1.00 0.00 C ATOM 0 H VAL A 39 3.386 -9.045 7.264 1.00 0.00 H new ATOM 0 HA VAL A 39 1.636 -11.425 7.211 1.00 0.00 H new ATOM 0 HB VAL A 39 2.930 -11.099 5.260 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.396 -11.425 5.221 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.902 -9.937 6.063 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.405 -11.365 6.999 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.025 -13.363 5.166 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.887 -13.468 6.937 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.420 -13.408 5.932 1.00 0.00 H new ATOM 613 N GLN A 40 2.560 -12.600 9.167 1.00 0.00 N ATOM 614 CA GLN A 40 2.930 -13.275 10.415 1.00 0.00 C ATOM 615 C GLN A 40 4.320 -13.921 10.287 1.00 0.00 C ATOM 616 O GLN A 40 4.541 -14.786 9.435 1.00 0.00 O ATOM 617 CB GLN A 40 1.829 -14.279 10.817 1.00 0.00 C ATOM 618 CG GLN A 40 1.220 -15.074 9.647 1.00 0.00 C ATOM 619 CD GLN A 40 0.337 -16.221 10.137 1.00 0.00 C ATOM 620 OE1 GLN A 40 -0.876 -16.104 10.258 1.00 0.00 O ATOM 621 NE2 GLN A 40 0.902 -17.372 10.436 1.00 0.00 N ATOM 0 H GLN A 40 1.764 -13.038 8.703 1.00 0.00 H new ATOM 0 HA GLN A 40 3.004 -12.545 11.221 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.245 -14.983 11.538 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.031 -13.737 11.324 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.631 -14.404 9.020 1.00 0.00 H new ATOM 0 HG3 GLN A 40 2.020 -15.473 9.023 1.00 0.00 H new ATOM 0 HE21 GLN A 40 1.911 -17.485 10.340 1.00 0.00 H new ATOM 0 HE22 GLN A 40 0.330 -18.151 10.763 1.00 0.00 H new ATOM 630 N SER A 41 5.277 -13.466 11.098 1.00 0.00 N ATOM 631 CA SER A 41 6.698 -13.738 10.888 1.00 0.00 C ATOM 632 C SER A 41 7.149 -15.121 11.357 1.00 0.00 C ATOM 633 O SER A 41 6.732 -15.580 12.425 1.00 0.00 O ATOM 634 CB SER A 41 7.547 -12.685 11.591 1.00 0.00 C ATOM 635 OG SER A 41 8.896 -12.815 11.196 1.00 0.00 O ATOM 0 H SER A 41 5.086 -12.896 11.922 1.00 0.00 H new ATOM 0 HA SER A 41 6.840 -13.705 9.808 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.182 -11.688 11.346 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.463 -12.799 12.672 1.00 0.00 H new ATOM 0 HG SER A 41 9.241 -11.941 10.919 1.00 0.00 H new ATOM 641 N PRO A 42 8.084 -15.755 10.625 1.00 0.00 N ATOM 642 CA PRO A 42 8.818 -16.907 11.115 1.00 0.00 C ATOM 643 C PRO A 42 9.964 -16.540 12.085 1.00 0.00 C ATOM 644 O PRO A 42 10.531 -17.444 12.702 1.00 0.00 O ATOM 645 CB PRO A 42 9.312 -17.619 9.852 1.00 0.00 C ATOM 646 CG PRO A 42 9.542 -16.468 8.874 1.00 0.00 C ATOM 647 CD PRO A 42 8.450 -15.464 9.246 1.00 0.00 C ATOM 0 HA PRO A 42 8.183 -17.551 11.723 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.228 -18.180 10.037 1.00 0.00 H new ATOM 0 HB3 PRO A 42 8.575 -18.328 9.474 1.00 0.00 H new ATOM 0 HG2 PRO A 42 10.538 -16.039 8.986 1.00 0.00 H new ATOM 0 HG3 PRO A 42 9.451 -16.796 7.839 1.00 0.00 H new ATOM 0 HD2 PRO A 42 8.812 -14.441 9.147 1.00 0.00 H new ATOM 0 HD3 PRO A 42 7.589 -15.563 8.585 1.00 0.00 H new ATOM 655 N MET A 43 10.311 -15.248 12.240 1.00 0.00 N ATOM 656 CA MET A 43 11.408 -14.778 13.113 1.00 0.00 C ATOM 657 C MET A 43 10.996 -13.806 14.233 1.00 0.00 C ATOM 658 O MET A 43 11.709 -13.690 15.232 1.00 0.00 O ATOM 659 CB MET A 43 12.543 -14.196 12.266 1.00 0.00 C ATOM 660 CG MET A 43 12.305 -12.780 11.726 1.00 0.00 C ATOM 661 SD MET A 43 13.091 -12.437 10.129 1.00 0.00 S ATOM 662 CE MET A 43 12.100 -13.557 9.102 1.00 0.00 C ATOM 0 H MET A 43 9.831 -14.489 11.756 1.00 0.00 H new ATOM 0 HA MET A 43 11.751 -15.665 13.645 1.00 0.00 H new ATOM 0 HB2 MET A 43 13.453 -14.189 12.865 1.00 0.00 H new ATOM 0 HB3 MET A 43 12.722 -14.863 11.422 1.00 0.00 H new ATOM 0 HG2 MET A 43 11.231 -12.618 11.629 1.00 0.00 H new ATOM 0 HG3 MET A 43 12.671 -12.060 12.458 1.00 0.00 H new ATOM 0 HE1 MET A 43 12.098 -13.200 8.072 1.00 0.00 H new ATOM 0 HE2 MET A 43 12.528 -14.559 9.138 1.00 0.00 H new ATOM 0 HE3 MET A 43 11.077 -13.586 9.478 1.00 0.00 H new ATOM 672 N PHE A 44 9.865 -13.113 14.079 1.00 0.00 N ATOM 673 CA PHE A 44 9.339 -12.117 15.022 1.00 0.00 C ATOM 674 C PHE A 44 8.039 -12.593 15.698 1.00 0.00 C ATOM 675 O PHE A 44 7.310 -13.439 15.180 1.00 0.00 O ATOM 676 CB PHE A 44 9.189 -10.769 14.292 1.00 0.00 C ATOM 677 CG PHE A 44 8.601 -9.649 15.131 1.00 0.00 C ATOM 678 CD1 PHE A 44 9.330 -9.115 16.211 1.00 0.00 C ATOM 679 CD2 PHE A 44 7.309 -9.164 14.855 1.00 0.00 C ATOM 680 CE1 PHE A 44 8.762 -8.111 17.018 1.00 0.00 C ATOM 681 CE2 PHE A 44 6.742 -8.158 15.658 1.00 0.00 C ATOM 682 CZ PHE A 44 7.467 -7.635 16.742 1.00 0.00 C ATOM 0 H PHE A 44 9.265 -13.233 13.263 1.00 0.00 H new ATOM 0 HA PHE A 44 10.045 -11.982 15.842 1.00 0.00 H new ATOM 0 HB2 PHE A 44 10.169 -10.457 13.931 1.00 0.00 H new ATOM 0 HB3 PHE A 44 8.559 -10.916 13.415 1.00 0.00 H new ATOM 0 HD1 PHE A 44 10.326 -9.476 16.420 1.00 0.00 H new ATOM 0 HD2 PHE A 44 6.750 -9.566 14.023 1.00 0.00 H new ATOM 0 HE1 PHE A 44 9.320 -7.706 17.849 1.00 0.00 H new ATOM 0 HE2 PHE A 44 5.751 -7.788 15.442 1.00 0.00 H new ATOM 0 HZ PHE A 44 7.030 -6.867 17.364 1.00 0.00 H new ATOM 692 N ASP A 45 7.733 -12.029 16.867 1.00 0.00 N ATOM 693 CA ASP A 45 6.605 -12.403 17.739 1.00 0.00 C ATOM 694 C ASP A 45 5.282 -11.712 17.331 1.00 0.00 C ATOM 695 O ASP A 45 4.501 -11.256 18.172 1.00 0.00 O ATOM 696 CB ASP A 45 6.991 -12.155 19.209 1.00 0.00 C ATOM 697 CG ASP A 45 8.188 -13.015 19.648 1.00 0.00 C ATOM 698 OD1 ASP A 45 8.005 -14.236 19.874 1.00 0.00 O ATOM 699 OD2 ASP A 45 9.311 -12.472 19.787 1.00 0.00 O ATOM 0 H ASP A 45 8.286 -11.264 17.254 1.00 0.00 H new ATOM 0 HA ASP A 45 6.406 -13.468 17.616 1.00 0.00 H new ATOM 0 HB2 ASP A 45 7.233 -11.101 19.347 1.00 0.00 H new ATOM 0 HB3 ASP A 45 6.136 -12.372 19.849 1.00 0.00 H new ATOM 704 N GLY A 46 5.047 -11.591 16.024 1.00 0.00 N ATOM 705 CA GLY A 46 3.975 -10.792 15.431 1.00 0.00 C ATOM 706 C GLY A 46 4.133 -10.638 13.921 1.00 0.00 C ATOM 707 O GLY A 46 4.840 -11.415 13.267 1.00 0.00 O ATOM 0 H GLY A 46 5.619 -12.064 15.324 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.014 -11.260 15.647 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.961 -9.806 15.895 1.00 0.00 H new ATOM 711 N LYS A 47 3.478 -9.615 13.367 1.00 0.00 N ATOM 712 CA LYS A 47 3.408 -9.367 11.924 1.00 0.00 C ATOM 713 C LYS A 47 4.369 -8.263 11.490 1.00 0.00 C ATOM 714 O LYS A 47 4.553 -7.272 12.199 1.00 0.00 O ATOM 715 CB LYS A 47 1.959 -9.120 11.469 1.00 0.00 C ATOM 716 CG LYS A 47 0.994 -10.207 11.983 1.00 0.00 C ATOM 717 CD LYS A 47 0.026 -10.748 10.925 1.00 0.00 C ATOM 718 CE LYS A 47 -0.997 -9.738 10.392 1.00 0.00 C ATOM 719 NZ LYS A 47 -2.165 -9.599 11.293 1.00 0.00 N ATOM 0 H LYS A 47 2.972 -8.922 13.919 1.00 0.00 H new ATOM 0 HA LYS A 47 3.742 -10.270 11.413 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.629 -8.145 11.827 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.922 -9.089 10.380 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.579 -11.036 12.380 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.416 -9.799 12.812 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.608 -11.128 10.085 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.512 -11.596 11.349 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.517 -8.767 10.269 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.336 -10.053 9.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.680 -8.725 11.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.797 -10.416 11.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.839 -9.558 12.280 1.00 0.00 H new ATOM 733 N VAL A 48 4.978 -8.443 10.319 1.00 0.00 N ATOM 734 CA VAL A 48 6.055 -7.593 9.779 1.00 0.00 C ATOM 735 C VAL A 48 5.697 -7.055 8.382 1.00 0.00 C ATOM 736 O VAL A 48 4.987 -7.746 7.646 1.00 0.00 O ATOM 737 CB VAL A 48 7.406 -8.341 9.776 1.00 0.00 C ATOM 738 CG1 VAL A 48 7.850 -8.678 11.208 1.00 0.00 C ATOM 739 CG2 VAL A 48 7.383 -9.644 8.962 1.00 0.00 C ATOM 0 H VAL A 48 4.731 -9.210 9.693 1.00 0.00 H new ATOM 0 HA VAL A 48 6.162 -6.731 10.437 1.00 0.00 H new ATOM 0 HB VAL A 48 8.111 -7.657 9.302 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.804 -9.204 11.179 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.961 -7.757 11.781 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.100 -9.312 11.682 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.364 -10.116 9.004 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.637 -10.320 9.379 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.132 -9.421 7.925 1.00 0.00 H new ATOM 749 N PRO A 49 6.131 -5.833 8.001 1.00 0.00 N ATOM 750 CA PRO A 49 5.684 -5.176 6.770 1.00 0.00 C ATOM 751 C PRO A 49 6.450 -5.628 5.514 1.00 0.00 C ATOM 752 O PRO A 49 7.679 -5.555 5.455 1.00 0.00 O ATOM 753 CB PRO A 49 5.853 -3.675 7.024 1.00 0.00 C ATOM 754 CG PRO A 49 7.042 -3.618 7.984 1.00 0.00 C ATOM 755 CD PRO A 49 6.879 -4.887 8.822 1.00 0.00 C ATOM 0 HA PRO A 49 4.650 -5.445 6.555 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.053 -3.130 6.101 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.957 -3.237 7.465 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.991 -3.609 7.448 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.017 -2.721 8.603 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.851 -5.297 9.098 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.348 -4.674 9.750 1.00 0.00 H new ATOM 763 N HIS A 50 5.718 -6.041 4.475 1.00 0.00 N ATOM 764 CA HIS A 50 6.237 -6.333 3.130 1.00 0.00 C ATOM 765 C HIS A 50 5.842 -5.217 2.171 1.00 0.00 C ATOM 766 O HIS A 50 4.689 -5.174 1.759 1.00 0.00 O ATOM 767 CB HIS A 50 5.714 -7.703 2.653 1.00 0.00 C ATOM 768 CG HIS A 50 6.502 -8.874 3.182 1.00 0.00 C ATOM 769 ND1 HIS A 50 6.791 -10.045 2.478 1.00 0.00 N ATOM 770 CD2 HIS A 50 7.042 -8.966 4.429 1.00 0.00 C ATOM 771 CE1 HIS A 50 7.496 -10.816 3.323 1.00 0.00 C ATOM 772 NE2 HIS A 50 7.681 -10.184 4.495 1.00 0.00 N ATOM 0 H HIS A 50 4.711 -6.187 4.547 1.00 0.00 H new ATOM 0 HA HIS A 50 7.326 -6.382 3.158 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.673 -7.810 2.958 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.731 -7.728 1.563 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.981 -8.227 5.214 1.00 0.00 H new ATOM 0 HE1 HIS A 50 7.863 -11.805 3.093 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.203 -10.544 5.294 1.00 0.00 H new ATOM 780 N TRP A 51 6.766 -4.306 1.847 1.00 0.00 N ATOM 781 CA TRP A 51 6.490 -3.115 1.035 1.00 0.00 C ATOM 782 C TRP A 51 6.421 -3.426 -0.466 1.00 0.00 C ATOM 783 O TRP A 51 7.175 -4.245 -0.980 1.00 0.00 O ATOM 784 CB TRP A 51 7.557 -2.045 1.289 1.00 0.00 C ATOM 785 CG TRP A 51 7.692 -1.605 2.712 1.00 0.00 C ATOM 786 CD1 TRP A 51 8.586 -2.094 3.600 1.00 0.00 C ATOM 787 CD2 TRP A 51 6.900 -0.612 3.439 1.00 0.00 C ATOM 788 NE1 TRP A 51 8.394 -1.496 4.828 1.00 0.00 N ATOM 789 CE2 TRP A 51 7.354 -0.593 4.793 1.00 0.00 C ATOM 790 CE3 TRP A 51 5.830 0.254 3.105 1.00 0.00 C ATOM 791 CZ2 TRP A 51 6.770 0.218 5.773 1.00 0.00 C ATOM 792 CZ3 TRP A 51 5.224 1.061 4.091 1.00 0.00 C ATOM 793 CH2 TRP A 51 5.697 1.050 5.416 1.00 0.00 C ATOM 0 H TRP A 51 7.739 -4.376 2.145 1.00 0.00 H new ATOM 0 HA TRP A 51 5.510 -2.746 1.338 1.00 0.00 H new ATOM 0 HB2 TRP A 51 8.520 -2.428 0.951 1.00 0.00 H new ATOM 0 HB3 TRP A 51 7.328 -1.173 0.676 1.00 0.00 H new ATOM 0 HD1 TRP A 51 9.336 -2.839 3.381 1.00 0.00 H new ATOM 0 HE1 TRP A 51 8.952 -1.697 5.658 1.00 0.00 H new ATOM 0 HE3 TRP A 51 5.475 0.297 2.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 7.139 0.204 6.788 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 4.389 1.693 3.826 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.234 1.682 6.159 1.00 0.00 H new ATOM 804 N TYR A 52 5.575 -2.710 -1.196 1.00 0.00 N ATOM 805 CA TYR A 52 5.526 -2.700 -2.653 1.00 0.00 C ATOM 806 C TYR A 52 5.205 -1.277 -3.156 1.00 0.00 C ATOM 807 O TYR A 52 4.655 -0.452 -2.418 1.00 0.00 O ATOM 808 CB TYR A 52 4.494 -3.704 -3.214 1.00 0.00 C ATOM 809 CG TYR A 52 4.217 -5.051 -2.555 1.00 0.00 C ATOM 810 CD1 TYR A 52 3.639 -5.154 -1.271 1.00 0.00 C ATOM 811 CD2 TYR A 52 4.395 -6.219 -3.322 1.00 0.00 C ATOM 812 CE1 TYR A 52 3.312 -6.419 -0.736 1.00 0.00 C ATOM 813 CE2 TYR A 52 4.051 -7.480 -2.803 1.00 0.00 C ATOM 814 CZ TYR A 52 3.523 -7.587 -1.501 1.00 0.00 C ATOM 815 OH TYR A 52 3.224 -8.816 -0.997 1.00 0.00 O ATOM 0 H TYR A 52 4.878 -2.097 -0.774 1.00 0.00 H new ATOM 0 HA TYR A 52 6.507 -3.009 -3.014 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.541 -3.178 -3.260 1.00 0.00 H new ATOM 0 HB3 TYR A 52 4.791 -3.915 -4.241 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.446 -4.261 -0.695 1.00 0.00 H new ATOM 0 HD2 TYR A 52 4.800 -6.145 -4.320 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.900 -6.493 0.260 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.192 -8.367 -3.403 1.00 0.00 H new ATOM 0 HH TYR A 52 3.433 -9.503 -1.664 1.00 0.00 H new ATOM 825 N HIS A 53 5.489 -0.990 -4.431 1.00 0.00 N ATOM 826 CA HIS A 53 4.899 0.174 -5.124 1.00 0.00 C ATOM 827 C HIS A 53 3.357 0.131 -5.023 1.00 0.00 C ATOM 828 O HIS A 53 2.781 -0.957 -4.944 1.00 0.00 O ATOM 829 CB HIS A 53 5.317 0.207 -6.609 1.00 0.00 C ATOM 830 CG HIS A 53 6.804 0.274 -6.897 1.00 0.00 C ATOM 831 ND1 HIS A 53 7.624 -0.757 -7.375 1.00 0.00 N ATOM 832 CD2 HIS A 53 7.564 1.405 -6.792 1.00 0.00 C ATOM 833 CE1 HIS A 53 8.846 -0.227 -7.536 1.00 0.00 C ATOM 834 NE2 HIS A 53 8.840 1.070 -7.191 1.00 0.00 N ATOM 0 H HIS A 53 6.122 -1.543 -5.008 1.00 0.00 H new ATOM 0 HA HIS A 53 5.271 1.076 -4.638 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.916 -0.682 -7.095 1.00 0.00 H new ATOM 0 HB3 HIS A 53 4.841 1.068 -7.077 1.00 0.00 H new ATOM 0 HD2 HIS A 53 7.229 2.376 -6.460 1.00 0.00 H new ATOM 0 HE1 HIS A 53 9.711 -0.767 -7.892 1.00 0.00 H new ATOM 0 HE2 HIS A 53 9.642 1.700 -7.219 1.00 0.00 H new ATOM 842 N PHE A 54 2.667 1.282 -5.063 1.00 0.00 N ATOM 843 CA PHE A 54 1.195 1.330 -4.963 1.00 0.00 C ATOM 844 C PHE A 54 0.495 0.375 -5.950 1.00 0.00 C ATOM 845 O PHE A 54 -0.389 -0.378 -5.553 1.00 0.00 O ATOM 846 CB PHE A 54 0.696 2.769 -5.177 1.00 0.00 C ATOM 847 CG PHE A 54 -0.799 2.893 -5.443 1.00 0.00 C ATOM 848 CD1 PHE A 54 -1.739 2.703 -4.406 1.00 0.00 C ATOM 849 CD2 PHE A 54 -1.255 3.175 -6.745 1.00 0.00 C ATOM 850 CE1 PHE A 54 -3.118 2.765 -4.684 1.00 0.00 C ATOM 851 CE2 PHE A 54 -2.635 3.236 -7.017 1.00 0.00 C ATOM 852 CZ PHE A 54 -3.564 3.001 -5.992 1.00 0.00 C ATOM 0 H PHE A 54 3.105 2.197 -5.164 1.00 0.00 H new ATOM 0 HA PHE A 54 0.936 0.994 -3.959 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.944 3.360 -4.295 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.238 3.206 -6.016 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.400 2.510 -3.399 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.543 3.345 -7.539 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.834 2.630 -3.887 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -2.979 3.464 -8.015 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.622 3.002 -6.210 1.00 0.00 H new ATOM 862 N SER A 55 0.915 0.352 -7.220 1.00 0.00 N ATOM 863 CA SER A 55 0.334 -0.499 -8.264 1.00 0.00 C ATOM 864 C SER A 55 0.762 -1.961 -8.147 1.00 0.00 C ATOM 865 O SER A 55 -0.006 -2.849 -8.520 1.00 0.00 O ATOM 866 CB SER A 55 0.686 0.068 -9.643 1.00 0.00 C ATOM 867 OG SER A 55 2.044 0.481 -9.713 1.00 0.00 O ATOM 0 H SER A 55 1.682 0.935 -7.557 1.00 0.00 H new ATOM 0 HA SER A 55 -0.748 -0.491 -8.130 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.496 -0.687 -10.406 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.037 0.915 -9.864 1.00 0.00 H new ATOM 0 HG SER A 55 2.370 0.378 -10.631 1.00 0.00 H new ATOM 873 N CYS A 56 1.945 -2.232 -7.585 1.00 0.00 N ATOM 874 CA CYS A 56 2.437 -3.585 -7.357 1.00 0.00 C ATOM 875 C CYS A 56 1.576 -4.361 -6.339 1.00 0.00 C ATOM 876 O CYS A 56 1.313 -5.543 -6.549 1.00 0.00 O ATOM 877 CB CYS A 56 3.905 -3.522 -6.936 1.00 0.00 C ATOM 878 SG CYS A 56 4.980 -3.140 -8.369 1.00 0.00 S ATOM 0 H CYS A 56 2.591 -1.506 -7.274 1.00 0.00 H new ATOM 0 HA CYS A 56 2.359 -4.144 -8.290 1.00 0.00 H new ATOM 0 HB2 CYS A 56 4.034 -2.761 -6.166 1.00 0.00 H new ATOM 0 HB3 CYS A 56 4.203 -4.474 -6.497 1.00 0.00 H new ATOM 883 N PHE A 57 1.058 -3.694 -5.304 1.00 0.00 N ATOM 884 CA PHE A 57 0.072 -4.259 -4.368 1.00 0.00 C ATOM 885 C PHE A 57 -1.145 -4.838 -5.115 1.00 0.00 C ATOM 886 O PHE A 57 -1.506 -6.006 -4.950 1.00 0.00 O ATOM 887 CB PHE A 57 -0.355 -3.173 -3.371 1.00 0.00 C ATOM 888 CG PHE A 57 -1.323 -3.668 -2.315 1.00 0.00 C ATOM 889 CD1 PHE A 57 -2.681 -3.853 -2.641 1.00 0.00 C ATOM 890 CD2 PHE A 57 -0.874 -3.962 -1.015 1.00 0.00 C ATOM 891 CE1 PHE A 57 -3.577 -4.360 -1.689 1.00 0.00 C ATOM 892 CE2 PHE A 57 -1.784 -4.424 -0.048 1.00 0.00 C ATOM 893 CZ PHE A 57 -3.131 -4.639 -0.389 1.00 0.00 C ATOM 0 H PHE A 57 1.314 -2.731 -5.086 1.00 0.00 H new ATOM 0 HA PHE A 57 0.532 -5.085 -3.825 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.532 -2.773 -2.880 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.816 -2.350 -3.918 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -3.034 -3.603 -3.630 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.168 -3.833 -0.760 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.609 -4.535 -1.956 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.447 -4.614 0.960 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.822 -5.019 0.350 1.00 0.00 H new ATOM 903 N TRP A 58 -1.747 -4.046 -6.008 1.00 0.00 N ATOM 904 CA TRP A 58 -2.926 -4.436 -6.793 1.00 0.00 C ATOM 905 C TRP A 58 -2.604 -5.410 -7.940 1.00 0.00 C ATOM 906 O TRP A 58 -3.510 -6.026 -8.502 1.00 0.00 O ATOM 907 CB TRP A 58 -3.621 -3.168 -7.297 1.00 0.00 C ATOM 908 CG TRP A 58 -3.905 -2.161 -6.226 1.00 0.00 C ATOM 909 CD1 TRP A 58 -3.283 -0.970 -6.096 1.00 0.00 C ATOM 910 CD2 TRP A 58 -4.844 -2.241 -5.108 1.00 0.00 C ATOM 911 NE1 TRP A 58 -3.730 -0.328 -4.962 1.00 0.00 N ATOM 912 CE2 TRP A 58 -4.714 -1.050 -4.326 1.00 0.00 C ATOM 913 CE3 TRP A 58 -5.809 -3.183 -4.684 1.00 0.00 C ATOM 914 CZ2 TRP A 58 -5.503 -0.803 -3.195 1.00 0.00 C ATOM 915 CZ3 TRP A 58 -6.603 -2.946 -3.547 1.00 0.00 C ATOM 916 CH2 TRP A 58 -6.456 -1.758 -2.811 1.00 0.00 C ATOM 0 H TRP A 58 -1.424 -3.100 -6.210 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.600 -4.992 -6.141 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -2.998 -2.704 -8.061 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -4.559 -3.447 -7.777 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -2.544 -0.578 -6.780 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.376 0.571 -4.634 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -5.939 -4.099 -5.242 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.380 0.108 -2.628 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -7.330 -3.682 -3.238 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -7.079 -1.580 -1.947 1.00 0.00 H new ATOM 927 N LYS A 59 -1.314 -5.588 -8.252 1.00 0.00 N ATOM 928 CA LYS A 59 -0.762 -6.562 -9.201 1.00 0.00 C ATOM 929 C LYS A 59 -0.428 -7.907 -8.534 1.00 0.00 C ATOM 930 O LYS A 59 -0.389 -8.926 -9.222 1.00 0.00 O ATOM 931 CB LYS A 59 0.421 -5.860 -9.880 1.00 0.00 C ATOM 932 CG LYS A 59 1.124 -6.631 -10.998 1.00 0.00 C ATOM 933 CD LYS A 59 1.890 -5.699 -11.963 1.00 0.00 C ATOM 934 CE LYS A 59 2.672 -4.538 -11.314 1.00 0.00 C ATOM 935 NZ LYS A 59 3.836 -4.994 -10.512 1.00 0.00 N ATOM 0 H LYS A 59 -0.583 -5.021 -7.822 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.489 -6.855 -9.958 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.067 -4.914 -10.289 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.159 -5.620 -9.115 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.819 -7.347 -10.560 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.387 -7.205 -11.560 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.590 -6.304 -12.539 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.176 -5.277 -12.671 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.019 -3.861 -12.095 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.999 -3.968 -10.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.975 -4.352 -9.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.660 -5.957 -10.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.689 -4.992 -11.107 1.00 0.00 H new ATOM 949 N VAL A 60 -0.283 -7.948 -7.202 1.00 0.00 N ATOM 950 CA VAL A 60 -0.503 -9.178 -6.406 1.00 0.00 C ATOM 951 C VAL A 60 -2.007 -9.479 -6.312 1.00 0.00 C ATOM 952 O VAL A 60 -2.422 -10.633 -6.425 1.00 0.00 O ATOM 953 CB VAL A 60 0.093 -9.078 -4.986 1.00 0.00 C ATOM 954 CG1 VAL A 60 -0.006 -10.415 -4.237 1.00 0.00 C ATOM 955 CG2 VAL A 60 1.574 -8.703 -4.984 1.00 0.00 C ATOM 0 H VAL A 60 -0.012 -7.139 -6.643 1.00 0.00 H new ATOM 0 HA VAL A 60 0.012 -9.989 -6.921 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.493 -8.299 -4.499 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.423 -10.307 -3.241 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.053 -10.707 -4.151 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.541 -11.181 -4.787 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.934 -8.649 -3.957 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.141 -9.458 -5.528 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.705 -7.734 -5.466 1.00 0.00 H new ATOM 965 N GLY A 61 -2.830 -8.432 -6.169 1.00 0.00 N ATOM 966 CA GLY A 61 -4.294 -8.513 -6.241 1.00 0.00 C ATOM 967 C GLY A 61 -4.989 -8.867 -4.921 1.00 0.00 C ATOM 968 O GLY A 61 -6.031 -9.528 -4.939 1.00 0.00 O ATOM 0 H GLY A 61 -2.489 -7.486 -5.997 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.679 -7.555 -6.592 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.565 -9.259 -6.988 1.00 0.00 H new ATOM 972 N HIS A 62 -4.433 -8.450 -3.776 1.00 0.00 N ATOM 973 CA HIS A 62 -5.097 -8.587 -2.468 1.00 0.00 C ATOM 974 C HIS A 62 -6.371 -7.733 -2.387 1.00 0.00 C ATOM 975 O HIS A 62 -6.379 -6.568 -2.795 1.00 0.00 O ATOM 976 CB HIS A 62 -4.133 -8.229 -1.327 1.00 0.00 C ATOM 977 CG HIS A 62 -3.139 -9.321 -1.026 1.00 0.00 C ATOM 978 ND1 HIS A 62 -3.357 -10.397 -0.162 1.00 0.00 N ATOM 979 CD2 HIS A 62 -1.881 -9.418 -1.543 1.00 0.00 C ATOM 980 CE1 HIS A 62 -2.219 -11.112 -0.169 1.00 0.00 C ATOM 981 NE2 HIS A 62 -1.319 -10.551 -0.993 1.00 0.00 N ATOM 0 H HIS A 62 -3.514 -8.010 -3.727 1.00 0.00 H new ATOM 0 HA HIS A 62 -5.391 -9.631 -2.359 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -3.594 -7.318 -1.587 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -4.709 -8.013 -0.427 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.416 -8.741 -2.245 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -2.052 -12.010 0.407 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -0.380 -10.903 -1.180 1.00 0.00 H new ATOM 989 N SER A 63 -7.445 -8.308 -1.843 1.00 0.00 N ATOM 990 CA SER A 63 -8.757 -7.655 -1.705 1.00 0.00 C ATOM 991 C SER A 63 -8.925 -6.989 -0.343 1.00 0.00 C ATOM 992 O SER A 63 -8.558 -7.540 0.696 1.00 0.00 O ATOM 993 CB SER A 63 -9.899 -8.649 -1.946 1.00 0.00 C ATOM 994 OG SER A 63 -9.831 -9.182 -3.261 1.00 0.00 O ATOM 0 H SER A 63 -7.431 -9.260 -1.477 1.00 0.00 H new ATOM 0 HA SER A 63 -8.800 -6.877 -2.467 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.844 -9.458 -1.217 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.858 -8.152 -1.799 1.00 0.00 H new ATOM 0 HG SER A 63 -10.567 -9.815 -3.396 1.00 0.00 H new ATOM 1000 N ILE A 64 -9.522 -5.798 -0.358 1.00 0.00 N ATOM 1001 CA ILE A 64 -9.719 -4.935 0.810 1.00 0.00 C ATOM 1002 C ILE A 64 -11.192 -4.503 0.836 1.00 0.00 C ATOM 1003 O ILE A 64 -11.732 -4.071 -0.187 1.00 0.00 O ATOM 1004 CB ILE A 64 -8.743 -3.735 0.767 1.00 0.00 C ATOM 1005 CG1 ILE A 64 -7.319 -4.088 0.266 1.00 0.00 C ATOM 1006 CG2 ILE A 64 -8.696 -3.092 2.160 1.00 0.00 C ATOM 1007 CD1 ILE A 64 -6.284 -2.969 0.446 1.00 0.00 C ATOM 0 H ILE A 64 -9.896 -5.391 -1.215 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.497 -5.470 1.733 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.127 -3.031 0.029 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.971 -4.975 0.795 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.374 -4.348 -0.791 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -8.012 -2.244 2.146 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.693 -2.749 2.436 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.350 -3.826 2.888 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -5.318 -3.303 0.069 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.604 -2.085 -0.107 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.195 -2.723 1.504 1.00 0.00 H new ATOM 1019 N ARG A 65 -11.856 -4.664 1.985 1.00 0.00 N ATOM 1020 CA ARG A 65 -13.325 -4.566 2.147 1.00 0.00 C ATOM 1021 C ARG A 65 -13.760 -3.492 3.149 1.00 0.00 C ATOM 1022 O ARG A 65 -14.887 -3.001 3.067 1.00 0.00 O ATOM 1023 CB ARG A 65 -13.944 -5.952 2.455 1.00 0.00 C ATOM 1024 CG ARG A 65 -13.152 -6.852 3.425 1.00 0.00 C ATOM 1025 CD ARG A 65 -12.107 -7.722 2.704 1.00 0.00 C ATOM 1026 NE ARG A 65 -10.867 -7.845 3.491 1.00 0.00 N ATOM 1027 CZ ARG A 65 -9.947 -8.786 3.418 1.00 0.00 C ATOM 1028 NH1 ARG A 65 -10.037 -9.812 2.619 1.00 0.00 N ATOM 1029 NH2 ARG A 65 -8.909 -8.689 4.189 1.00 0.00 N ATOM 0 H ARG A 65 -11.378 -4.873 2.861 1.00 0.00 H new ATOM 0 HA ARG A 65 -13.722 -4.231 1.189 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -14.941 -5.798 2.868 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.068 -6.488 1.514 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -12.652 -6.229 4.167 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -13.845 -7.496 3.965 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -12.522 -8.713 2.521 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.879 -7.287 1.731 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.700 -7.110 4.178 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -10.849 -9.915 2.010 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -9.295 -10.512 2.602 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.821 -7.900 4.829 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.180 -9.402 4.155 1.00 0.00 H new ATOM 1043 N HIS A 66 -12.861 -3.072 4.037 1.00 0.00 N ATOM 1044 CA HIS A 66 -12.984 -1.872 4.874 1.00 0.00 C ATOM 1045 C HIS A 66 -11.632 -1.143 4.939 1.00 0.00 C ATOM 1046 O HIS A 66 -10.965 -1.147 5.973 1.00 0.00 O ATOM 1047 CB HIS A 66 -13.663 -2.170 6.233 1.00 0.00 C ATOM 1048 CG HIS A 66 -13.136 -3.281 7.124 1.00 0.00 C ATOM 1049 ND1 HIS A 66 -12.743 -4.528 6.734 1.00 0.00 N flip ATOM 1050 CD2 HIS A 66 -13.156 -3.259 8.524 1.00 0.00 C flip ATOM 1051 CE1 HIS A 66 -12.470 -5.251 7.871 1.00 0.00 C flip ATOM 1052 NE2 HIS A 66 -12.729 -4.468 8.927 1.00 0.00 N flip ATOM 0 H HIS A 66 -11.990 -3.576 4.203 1.00 0.00 H new ATOM 0 HA HIS A 66 -13.675 -1.166 4.413 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -13.637 -1.249 6.816 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -14.711 -2.389 6.029 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -13.455 -2.435 9.154 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -12.111 -6.269 7.907 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -12.618 -4.750 9.901 1.00 0.00 H new ATOM 1060 N PRO A 67 -11.175 -0.543 3.820 1.00 0.00 N ATOM 1061 CA PRO A 67 -9.795 -0.077 3.663 1.00 0.00 C ATOM 1062 C PRO A 67 -9.368 1.022 4.639 1.00 0.00 C ATOM 1063 O PRO A 67 -8.211 1.047 5.042 1.00 0.00 O ATOM 1064 CB PRO A 67 -9.674 0.397 2.206 1.00 0.00 C ATOM 1065 CG PRO A 67 -11.116 0.698 1.814 1.00 0.00 C ATOM 1066 CD PRO A 67 -11.896 -0.369 2.567 1.00 0.00 C ATOM 0 HA PRO A 67 -9.118 -0.898 3.898 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.041 1.281 2.122 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.236 -0.371 1.568 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -11.415 1.703 2.111 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.267 0.625 0.737 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -12.925 -0.056 2.743 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.938 -1.300 2.002 1.00 0.00 H new ATOM 1074 N ASP A 68 -10.278 1.878 5.103 1.00 0.00 N ATOM 1075 CA ASP A 68 -9.978 2.881 6.133 1.00 0.00 C ATOM 1076 C ASP A 68 -9.749 2.271 7.533 1.00 0.00 C ATOM 1077 O ASP A 68 -9.284 2.960 8.444 1.00 0.00 O ATOM 1078 CB ASP A 68 -11.038 3.991 6.109 1.00 0.00 C ATOM 1079 CG ASP A 68 -12.471 3.456 6.226 1.00 0.00 C ATOM 1080 OD1 ASP A 68 -13.059 3.134 5.164 1.00 0.00 O ATOM 1081 OD2 ASP A 68 -13.007 3.371 7.355 1.00 0.00 O ATOM 0 H ASP A 68 -11.245 1.898 4.778 1.00 0.00 H new ATOM 0 HA ASP A 68 -9.018 3.337 5.889 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -10.848 4.685 6.928 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -10.942 4.557 5.182 1.00 0.00 H new ATOM 1086 N VAL A 69 -10.029 0.971 7.689 1.00 0.00 N ATOM 1087 CA VAL A 69 -9.695 0.150 8.861 1.00 0.00 C ATOM 1088 C VAL A 69 -8.489 -0.764 8.587 1.00 0.00 C ATOM 1089 O VAL A 69 -7.594 -0.880 9.425 1.00 0.00 O ATOM 1090 CB VAL A 69 -10.907 -0.702 9.295 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -10.657 -1.390 10.643 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -12.193 0.127 9.414 1.00 0.00 C ATOM 0 H VAL A 69 -10.517 0.438 6.969 1.00 0.00 H new ATOM 0 HA VAL A 69 -9.430 0.833 9.668 1.00 0.00 H new ATOM 0 HB VAL A 69 -11.035 -1.449 8.511 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -11.531 -1.981 10.917 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.788 -2.043 10.563 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -10.474 -0.636 11.408 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -13.015 -0.519 9.722 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -12.052 0.913 10.156 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -12.427 0.577 8.449 1.00 0.00 H new ATOM 1102 N GLU A 70 -8.447 -1.410 7.417 1.00 0.00 N ATOM 1103 CA GLU A 70 -7.473 -2.471 7.089 1.00 0.00 C ATOM 1104 C GLU A 70 -6.149 -1.959 6.516 1.00 0.00 C ATOM 1105 O GLU A 70 -5.127 -2.631 6.665 1.00 0.00 O ATOM 1106 CB GLU A 70 -8.074 -3.453 6.068 1.00 0.00 C ATOM 1107 CG GLU A 70 -9.333 -4.190 6.523 1.00 0.00 C ATOM 1108 CD GLU A 70 -9.815 -5.141 5.415 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -10.490 -4.698 4.455 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -9.524 -6.356 5.493 1.00 0.00 O ATOM 0 H GLU A 70 -9.096 -1.212 6.656 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.257 -2.955 8.041 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.306 -2.904 5.156 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.315 -4.192 5.811 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.126 -4.754 7.433 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.117 -3.472 6.764 1.00 0.00 H new ATOM 1117 N VAL A 71 -6.163 -0.793 5.867 1.00 0.00 N ATOM 1118 CA VAL A 71 -4.980 -0.092 5.362 1.00 0.00 C ATOM 1119 C VAL A 71 -4.513 0.882 6.433 1.00 0.00 C ATOM 1120 O VAL A 71 -4.987 2.012 6.561 1.00 0.00 O ATOM 1121 CB VAL A 71 -5.232 0.578 4.006 1.00 0.00 C ATOM 1122 CG1 VAL A 71 -3.890 1.043 3.458 1.00 0.00 C ATOM 1123 CG2 VAL A 71 -5.814 -0.410 2.989 1.00 0.00 C ATOM 0 H VAL A 71 -7.030 -0.292 5.671 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.183 -0.809 5.165 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.935 1.398 4.153 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.039 1.525 2.492 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.440 1.753 4.152 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.229 0.185 3.338 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.980 0.100 2.040 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.116 -1.234 2.841 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.761 -0.800 3.361 1.00 0.00 H new ATOM 1133 N ASP A 72 -3.553 0.420 7.221 1.00 0.00 N ATOM 1134 CA ASP A 72 -2.804 1.240 8.161 1.00 0.00 C ATOM 1135 C ASP A 72 -2.138 2.420 7.422 1.00 0.00 C ATOM 1136 O ASP A 72 -1.610 2.259 6.325 1.00 0.00 O ATOM 1137 CB ASP A 72 -1.805 0.306 8.849 1.00 0.00 C ATOM 1138 CG ASP A 72 -0.991 1.011 9.935 1.00 0.00 C ATOM 1139 OD1 ASP A 72 -0.062 1.772 9.584 1.00 0.00 O ATOM 1140 OD2 ASP A 72 -1.280 0.791 11.132 1.00 0.00 O ATOM 0 H ASP A 72 -3.267 -0.559 7.224 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.441 1.698 8.917 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.343 -0.533 9.291 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.127 -0.107 8.103 1.00 0.00 H new ATOM 1145 N GLY A 73 -2.201 3.626 7.981 1.00 0.00 N ATOM 1146 CA GLY A 73 -1.642 4.836 7.361 1.00 0.00 C ATOM 1147 C GLY A 73 -2.523 5.498 6.298 1.00 0.00 C ATOM 1148 O GLY A 73 -2.134 6.524 5.746 1.00 0.00 O ATOM 0 H GLY A 73 -2.644 3.798 8.884 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.439 5.565 8.146 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.684 4.582 6.907 1.00 0.00 H new ATOM 1152 N PHE A 74 -3.740 4.997 6.048 1.00 0.00 N ATOM 1153 CA PHE A 74 -4.727 5.657 5.178 1.00 0.00 C ATOM 1154 C PHE A 74 -5.020 7.107 5.618 1.00 0.00 C ATOM 1155 O PHE A 74 -5.218 7.992 4.784 1.00 0.00 O ATOM 1156 CB PHE A 74 -5.997 4.798 5.176 1.00 0.00 C ATOM 1157 CG PHE A 74 -7.122 5.303 4.296 1.00 0.00 C ATOM 1158 CD1 PHE A 74 -7.121 5.004 2.921 1.00 0.00 C ATOM 1159 CD2 PHE A 74 -8.186 6.036 4.855 1.00 0.00 C ATOM 1160 CE1 PHE A 74 -8.190 5.426 2.112 1.00 0.00 C ATOM 1161 CE2 PHE A 74 -9.255 6.456 4.043 1.00 0.00 C ATOM 1162 CZ PHE A 74 -9.259 6.141 2.676 1.00 0.00 C ATOM 0 H PHE A 74 -4.071 4.118 6.445 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.326 5.737 4.168 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.733 3.790 4.856 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -6.365 4.722 6.199 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -6.300 4.451 2.488 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -8.181 6.276 5.908 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.189 5.200 1.056 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -10.071 7.020 4.471 1.00 0.00 H new ATOM 0 HZ PHE A 74 -10.087 6.449 2.055 1.00 0.00 H new ATOM 1172 N SER A 75 -4.959 7.377 6.925 1.00 0.00 N ATOM 1173 CA SER A 75 -5.110 8.713 7.528 1.00 0.00 C ATOM 1174 C SER A 75 -3.931 9.670 7.264 1.00 0.00 C ATOM 1175 O SER A 75 -4.058 10.872 7.497 1.00 0.00 O ATOM 1176 CB SER A 75 -5.312 8.573 9.043 1.00 0.00 C ATOM 1177 OG SER A 75 -6.398 7.702 9.328 1.00 0.00 O ATOM 0 H SER A 75 -4.798 6.649 7.621 1.00 0.00 H new ATOM 0 HA SER A 75 -5.981 9.159 7.047 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.401 8.188 9.502 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.501 9.553 9.482 1.00 0.00 H new ATOM 0 HG SER A 75 -6.509 7.625 10.299 1.00 0.00 H new ATOM 1183 N GLU A 76 -2.790 9.172 6.772 1.00 0.00 N ATOM 1184 CA GLU A 76 -1.616 9.982 6.395 1.00 0.00 C ATOM 1185 C GLU A 76 -1.724 10.547 4.960 1.00 0.00 C ATOM 1186 O GLU A 76 -0.957 11.438 4.583 1.00 0.00 O ATOM 1187 CB GLU A 76 -0.319 9.158 6.548 1.00 0.00 C ATOM 1188 CG GLU A 76 -0.089 8.608 7.968 1.00 0.00 C ATOM 1189 CD GLU A 76 1.169 7.719 8.062 1.00 0.00 C ATOM 1190 OE1 GLU A 76 2.256 8.110 7.574 1.00 0.00 O ATOM 1191 OE2 GLU A 76 1.096 6.612 8.649 1.00 0.00 O ATOM 0 H GLU A 76 -2.650 8.173 6.620 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.585 10.833 7.076 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.346 8.324 5.847 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.530 9.782 6.269 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.006 9.440 8.665 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.961 8.031 8.276 1.00 0.00 H new ATOM 1198 N LEU A 77 -2.673 10.045 4.160 1.00 0.00 N ATOM 1199 CA LEU A 77 -2.909 10.439 2.767 1.00 0.00 C ATOM 1200 C LEU A 77 -3.864 11.641 2.631 1.00 0.00 C ATOM 1201 O LEU A 77 -4.722 11.881 3.487 1.00 0.00 O ATOM 1202 CB LEU A 77 -3.472 9.238 1.991 1.00 0.00 C ATOM 1203 CG LEU A 77 -2.574 7.993 1.895 1.00 0.00 C ATOM 1204 CD1 LEU A 77 -3.360 6.934 1.120 1.00 0.00 C ATOM 1205 CD2 LEU A 77 -1.258 8.255 1.171 1.00 0.00 C ATOM 0 H LEU A 77 -3.322 9.326 4.478 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.951 10.753 2.353 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.413 8.944 2.456 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.706 9.567 0.979 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.316 7.675 2.905 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.759 6.030 1.028 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.283 6.703 1.653 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.600 7.313 0.127 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.672 7.337 1.138 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.463 8.592 0.155 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.697 9.024 1.702 1.00 0.00 H new ATOM 1217 N ARG A 78 -3.769 12.353 1.501 1.00 0.00 N ATOM 1218 CA ARG A 78 -4.761 13.341 1.038 1.00 0.00 C ATOM 1219 C ARG A 78 -6.074 12.681 0.614 1.00 0.00 C ATOM 1220 O ARG A 78 -6.089 11.540 0.156 1.00 0.00 O ATOM 1221 CB ARG A 78 -4.184 14.153 -0.142 1.00 0.00 C ATOM 1222 CG ARG A 78 -3.602 15.510 0.284 1.00 0.00 C ATOM 1223 CD ARG A 78 -4.693 16.564 0.532 1.00 0.00 C ATOM 1224 NE ARG A 78 -5.430 16.858 -0.711 1.00 0.00 N ATOM 1225 CZ ARG A 78 -6.103 17.938 -1.043 1.00 0.00 C ATOM 1226 NH1 ARG A 78 -6.248 18.963 -0.251 1.00 0.00 N ATOM 1227 NH2 ARG A 78 -6.651 17.968 -2.220 1.00 0.00 N ATOM 0 H ARG A 78 -2.979 12.257 0.863 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.977 14.004 1.876 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.405 13.568 -0.631 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.969 14.317 -0.880 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.013 15.381 1.192 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.922 15.869 -0.489 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.385 16.205 1.294 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.241 17.478 0.917 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.416 16.118 -1.413 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.828 18.953 0.679 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.781 19.776 -0.561 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.551 17.172 -2.850 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -7.181 18.788 -2.515 1.00 0.00 H new ATOM 1241 N TRP A 79 -7.163 13.447 0.671 1.00 0.00 N ATOM 1242 CA TRP A 79 -8.515 13.046 0.250 1.00 0.00 C ATOM 1243 C TRP A 79 -8.579 12.509 -1.200 1.00 0.00 C ATOM 1244 O TRP A 79 -9.346 11.588 -1.489 1.00 0.00 O ATOM 1245 CB TRP A 79 -9.457 14.239 0.514 1.00 0.00 C ATOM 1246 CG TRP A 79 -10.580 14.469 -0.450 1.00 0.00 C ATOM 1247 CD1 TRP A 79 -11.863 14.066 -0.311 1.00 0.00 C ATOM 1248 CD2 TRP A 79 -10.523 15.190 -1.716 1.00 0.00 C ATOM 1249 NE1 TRP A 79 -12.601 14.490 -1.402 1.00 0.00 N ATOM 1250 CE2 TRP A 79 -11.819 15.176 -2.309 1.00 0.00 C ATOM 1251 CE3 TRP A 79 -9.491 15.829 -2.430 1.00 0.00 C ATOM 1252 CZ2 TRP A 79 -12.068 15.745 -3.568 1.00 0.00 C ATOM 1253 CZ3 TRP A 79 -9.726 16.404 -3.691 1.00 0.00 C ATOM 1254 CH2 TRP A 79 -11.012 16.362 -4.263 1.00 0.00 C ATOM 0 H TRP A 79 -7.132 14.403 1.025 1.00 0.00 H new ATOM 0 HA TRP A 79 -8.842 12.189 0.839 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -9.889 14.112 1.507 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.851 15.144 0.544 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -12.252 13.500 0.523 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -13.599 14.317 -1.521 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -8.501 15.878 -2.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -13.058 15.709 -3.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -8.916 16.880 -4.224 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -11.187 16.803 -5.233 1.00 0.00 H new ATOM 1265 N ASP A 80 -7.747 13.026 -2.109 1.00 0.00 N ATOM 1266 CA ASP A 80 -7.640 12.576 -3.509 1.00 0.00 C ATOM 1267 C ASP A 80 -6.871 11.254 -3.713 1.00 0.00 C ATOM 1268 O ASP A 80 -7.126 10.539 -4.682 1.00 0.00 O ATOM 1269 CB ASP A 80 -7.093 13.699 -4.400 1.00 0.00 C ATOM 1270 CG ASP A 80 -5.863 14.425 -3.841 1.00 0.00 C ATOM 1271 OD1 ASP A 80 -6.047 15.323 -2.984 1.00 0.00 O ATOM 1272 OD2 ASP A 80 -4.727 14.124 -4.274 1.00 0.00 O ATOM 0 H ASP A 80 -7.109 13.791 -1.890 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.659 12.341 -3.817 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.838 13.279 -5.373 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -7.884 14.430 -4.565 1.00 0.00 H new ATOM 1277 N ASP A 81 -5.966 10.894 -2.803 1.00 0.00 N ATOM 1278 CA ASP A 81 -5.314 9.582 -2.761 1.00 0.00 C ATOM 1279 C ASP A 81 -6.165 8.573 -1.984 1.00 0.00 C ATOM 1280 O ASP A 81 -6.318 7.446 -2.440 1.00 0.00 O ATOM 1281 CB ASP A 81 -3.900 9.690 -2.176 1.00 0.00 C ATOM 1282 CG ASP A 81 -2.906 10.289 -3.180 1.00 0.00 C ATOM 1283 OD1 ASP A 81 -2.717 9.690 -4.266 1.00 0.00 O ATOM 1284 OD2 ASP A 81 -2.285 11.329 -2.864 1.00 0.00 O ATOM 0 H ASP A 81 -5.658 11.519 -2.058 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.220 9.217 -3.784 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.925 10.308 -1.278 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.557 8.701 -1.872 1.00 0.00 H new ATOM 1289 N GLN A 82 -6.800 8.980 -0.879 1.00 0.00 N ATOM 1290 CA GLN A 82 -7.761 8.171 -0.126 1.00 0.00 C ATOM 1291 C GLN A 82 -8.892 7.652 -1.020 1.00 0.00 C ATOM 1292 O GLN A 82 -9.107 6.444 -1.094 1.00 0.00 O ATOM 1293 CB GLN A 82 -8.348 9.011 1.020 1.00 0.00 C ATOM 1294 CG GLN A 82 -7.378 9.139 2.200 1.00 0.00 C ATOM 1295 CD GLN A 82 -7.932 9.977 3.352 1.00 0.00 C ATOM 1296 OE1 GLN A 82 -8.883 10.740 3.227 1.00 0.00 O ATOM 1297 NE2 GLN A 82 -7.349 9.879 4.525 1.00 0.00 N ATOM 0 H GLN A 82 -6.655 9.905 -0.475 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.233 7.306 0.275 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.599 10.005 0.648 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.277 8.555 1.363 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.133 8.143 2.570 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.448 9.586 1.849 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.556 9.250 4.649 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.689 10.432 5.311 1.00 0.00 H new ATOM 1306 N GLN A 83 -9.565 8.528 -1.776 1.00 0.00 N ATOM 1307 CA GLN A 83 -10.652 8.106 -2.669 1.00 0.00 C ATOM 1308 C GLN A 83 -10.170 7.206 -3.819 1.00 0.00 C ATOM 1309 O GLN A 83 -10.932 6.368 -4.289 1.00 0.00 O ATOM 1310 CB GLN A 83 -11.436 9.325 -3.178 1.00 0.00 C ATOM 1311 CG GLN A 83 -10.686 10.137 -4.245 1.00 0.00 C ATOM 1312 CD GLN A 83 -11.362 11.476 -4.513 1.00 0.00 C ATOM 1313 OE1 GLN A 83 -12.012 11.696 -5.527 1.00 0.00 O ATOM 1314 NE2 GLN A 83 -11.234 12.417 -3.608 1.00 0.00 N ATOM 0 H GLN A 83 -9.377 9.530 -1.788 1.00 0.00 H new ATOM 0 HA GLN A 83 -11.330 7.487 -2.081 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -12.387 8.988 -3.591 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -11.668 9.976 -2.335 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -9.660 10.306 -3.919 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -10.636 9.563 -5.170 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -10.694 12.240 -2.761 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -11.675 13.326 -3.751 1.00 0.00 H new ATOM 1323 N LYS A 84 -8.905 7.326 -4.245 1.00 0.00 N ATOM 1324 CA LYS A 84 -8.271 6.518 -5.285 1.00 0.00 C ATOM 1325 C LYS A 84 -7.867 5.156 -4.728 1.00 0.00 C ATOM 1326 O LYS A 84 -8.084 4.152 -5.397 1.00 0.00 O ATOM 1327 CB LYS A 84 -7.115 7.357 -5.860 1.00 0.00 C ATOM 1328 CG LYS A 84 -6.209 6.659 -6.881 1.00 0.00 C ATOM 1329 CD LYS A 84 -5.016 5.942 -6.226 1.00 0.00 C ATOM 1330 CE LYS A 84 -4.047 6.821 -5.420 1.00 0.00 C ATOM 1331 NZ LYS A 84 -3.443 7.913 -6.226 1.00 0.00 N ATOM 0 H LYS A 84 -8.271 8.022 -3.853 1.00 0.00 H new ATOM 0 HA LYS A 84 -8.949 6.279 -6.104 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -7.538 8.245 -6.329 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -6.496 7.699 -5.031 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -6.796 5.935 -7.446 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -5.838 7.395 -7.594 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.404 5.167 -5.565 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -4.449 5.438 -7.009 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -4.578 7.254 -4.572 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.252 6.196 -5.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.922 8.559 -5.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.789 7.507 -6.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -4.194 8.438 -6.718 1.00 0.00 H new ATOM 1345 N VAL A 85 -7.371 5.088 -3.490 1.00 0.00 N ATOM 1346 CA VAL A 85 -7.112 3.810 -2.788 1.00 0.00 C ATOM 1347 C VAL A 85 -8.432 3.065 -2.554 1.00 0.00 C ATOM 1348 O VAL A 85 -8.519 1.876 -2.861 1.00 0.00 O ATOM 1349 CB VAL A 85 -6.353 4.038 -1.457 1.00 0.00 C ATOM 1350 CG1 VAL A 85 -6.240 2.776 -0.585 1.00 0.00 C ATOM 1351 CG2 VAL A 85 -4.918 4.530 -1.690 1.00 0.00 C ATOM 0 H VAL A 85 -7.135 5.913 -2.938 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.471 3.194 -3.419 1.00 0.00 H new ATOM 0 HB VAL A 85 -6.954 4.788 -0.942 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.697 3.013 0.330 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.238 2.418 -0.332 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.705 2.001 -1.134 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.423 4.677 -0.730 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.369 3.789 -2.272 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.941 5.474 -2.234 1.00 0.00 H new ATOM 1361 N LYS A 86 -9.494 3.755 -2.109 1.00 0.00 N ATOM 1362 CA LYS A 86 -10.829 3.151 -1.925 1.00 0.00 C ATOM 1363 C LYS A 86 -11.485 2.751 -3.253 1.00 0.00 C ATOM 1364 O LYS A 86 -12.031 1.653 -3.340 1.00 0.00 O ATOM 1365 CB LYS A 86 -11.739 4.055 -1.070 1.00 0.00 C ATOM 1366 CG LYS A 86 -11.190 4.191 0.363 1.00 0.00 C ATOM 1367 CD LYS A 86 -12.172 4.738 1.414 1.00 0.00 C ATOM 1368 CE LYS A 86 -13.404 3.845 1.572 1.00 0.00 C ATOM 1369 NZ LYS A 86 -14.172 4.151 2.808 1.00 0.00 N ATOM 0 H LYS A 86 -9.455 4.745 -1.866 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.685 2.222 -1.374 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.815 5.040 -1.530 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.746 3.639 -1.040 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.845 3.211 0.693 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.317 4.844 0.336 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -11.663 4.825 2.374 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.487 5.741 1.127 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -14.053 3.969 0.705 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -13.092 2.801 1.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -15.141 3.786 2.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.710 3.701 3.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.202 5.181 2.952 1.00 0.00 H new ATOM 1383 N LYS A 87 -11.343 3.554 -4.318 1.00 0.00 N ATOM 1384 CA LYS A 87 -11.750 3.178 -5.690 1.00 0.00 C ATOM 1385 C LYS A 87 -11.005 1.932 -6.145 1.00 0.00 C ATOM 1386 O LYS A 87 -11.628 1.007 -6.651 1.00 0.00 O ATOM 1387 CB LYS A 87 -11.553 4.372 -6.648 1.00 0.00 C ATOM 1388 CG LYS A 87 -12.074 4.176 -8.086 1.00 0.00 C ATOM 1389 CD LYS A 87 -11.115 3.449 -9.049 1.00 0.00 C ATOM 1390 CE LYS A 87 -11.703 3.479 -10.466 1.00 0.00 C ATOM 1391 NZ LYS A 87 -10.924 2.643 -11.418 1.00 0.00 N ATOM 0 H LYS A 87 -10.941 4.489 -4.256 1.00 0.00 H new ATOM 0 HA LYS A 87 -12.811 2.930 -5.699 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -12.048 5.243 -6.219 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.489 4.602 -6.696 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -13.008 3.617 -8.042 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -12.308 5.155 -8.505 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.137 3.929 -9.038 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -10.968 2.419 -8.725 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.734 3.127 -10.437 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -11.727 4.508 -10.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.439 2.571 -12.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -9.995 3.081 -11.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.792 1.692 -11.017 1.00 0.00 H new ATOM 1405 N THR A 88 -9.698 1.862 -5.912 1.00 0.00 N ATOM 1406 CA THR A 88 -8.868 0.721 -6.319 1.00 0.00 C ATOM 1407 C THR A 88 -9.180 -0.557 -5.523 1.00 0.00 C ATOM 1408 O THR A 88 -9.151 -1.653 -6.084 1.00 0.00 O ATOM 1409 CB THR A 88 -7.378 1.075 -6.282 1.00 0.00 C ATOM 1410 OG1 THR A 88 -7.128 2.249 -7.024 1.00 0.00 O ATOM 1411 CG2 THR A 88 -6.573 0.002 -6.991 1.00 0.00 C ATOM 0 H THR A 88 -9.177 2.597 -5.433 1.00 0.00 H new ATOM 0 HA THR A 88 -9.126 0.497 -7.354 1.00 0.00 H new ATOM 0 HB THR A 88 -7.105 1.185 -5.233 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.595 3.004 -6.609 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.515 0.261 -6.960 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.727 -0.956 -6.494 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.899 -0.071 -8.029 1.00 0.00 H new ATOM 1419 N ALA A 89 -9.584 -0.434 -4.255 1.00 0.00 N ATOM 1420 CA ALA A 89 -10.051 -1.545 -3.433 1.00 0.00 C ATOM 1421 C ALA A 89 -11.416 -2.063 -3.914 1.00 0.00 C ATOM 1422 O ALA A 89 -11.630 -3.274 -3.982 1.00 0.00 O ATOM 1423 CB ALA A 89 -10.108 -1.075 -1.977 1.00 0.00 C ATOM 0 H ALA A 89 -9.594 0.461 -3.765 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.358 -2.382 -3.518 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.455 -1.892 -1.344 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.114 -0.765 -1.656 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.796 -0.233 -1.893 1.00 0.00 H new ATOM 1429 N GLU A 90 -12.309 -1.157 -4.330 1.00 0.00 N ATOM 1430 CA GLU A 90 -13.584 -1.522 -4.960 1.00 0.00 C ATOM 1431 C GLU A 90 -13.393 -2.127 -6.363 1.00 0.00 C ATOM 1432 O GLU A 90 -14.147 -3.011 -6.775 1.00 0.00 O ATOM 1433 CB GLU A 90 -14.511 -0.298 -5.032 1.00 0.00 C ATOM 1434 CG GLU A 90 -15.071 0.136 -3.672 1.00 0.00 C ATOM 1435 CD GLU A 90 -16.172 -0.823 -3.175 1.00 0.00 C ATOM 1436 OE1 GLU A 90 -17.359 -0.632 -3.540 1.00 0.00 O ATOM 1437 OE2 GLU A 90 -15.865 -1.772 -2.413 1.00 0.00 O ATOM 0 H GLU A 90 -12.168 -0.151 -4.240 1.00 0.00 H new ATOM 0 HA GLU A 90 -14.043 -2.290 -4.337 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -13.963 0.536 -5.471 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -15.341 -0.522 -5.702 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -14.263 0.173 -2.941 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -15.476 1.145 -3.751 1.00 0.00 H new ATOM 1444 N ALA A 91 -12.359 -1.681 -7.080 1.00 0.00 N ATOM 1445 CA ALA A 91 -11.975 -2.157 -8.406 1.00 0.00 C ATOM 1446 C ALA A 91 -11.312 -3.553 -8.383 1.00 0.00 C ATOM 1447 O ALA A 91 -11.378 -4.284 -9.374 1.00 0.00 O ATOM 1448 CB ALA A 91 -11.045 -1.093 -9.013 1.00 0.00 C ATOM 0 H ALA A 91 -11.741 -0.946 -6.735 1.00 0.00 H new ATOM 0 HA ALA A 91 -12.867 -2.290 -9.018 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -10.732 -1.408 -10.008 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -11.576 -0.143 -9.083 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.167 -0.972 -8.378 1.00 0.00 H new ATOM 1454 N GLY A 92 -10.673 -3.931 -7.267 1.00 0.00 N ATOM 1455 CA GLY A 92 -9.937 -5.195 -7.106 1.00 0.00 C ATOM 1456 C GLY A 92 -8.665 -5.297 -7.967 1.00 0.00 C ATOM 1457 O GLY A 92 -8.159 -6.397 -8.201 1.00 0.00 O ATOM 0 H GLY A 92 -10.653 -3.351 -6.428 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -9.663 -5.312 -6.057 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.600 -6.023 -7.357 1.00 0.00 H new ATOM 1461 N GLY A 93 -8.177 -4.164 -8.476 1.00 0.00 N ATOM 1462 CA GLY A 93 -7.120 -4.053 -9.481 1.00 0.00 C ATOM 1463 C GLY A 93 -7.063 -2.626 -10.035 1.00 0.00 C ATOM 1464 O GLY A 93 -8.101 -2.006 -10.273 1.00 0.00 O ATOM 0 H GLY A 93 -8.527 -3.252 -8.182 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.159 -4.318 -9.039 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -7.304 -4.758 -10.292 1.00 0.00 H new ATOM 1468 N VAL A 94 -5.858 -2.081 -10.203 1.00 0.00 N ATOM 1469 CA VAL A 94 -5.650 -0.672 -10.583 1.00 0.00 C ATOM 1470 C VAL A 94 -5.767 -0.423 -12.092 1.00 0.00 C ATOM 1471 O VAL A 94 -5.379 -1.259 -12.912 1.00 0.00 O ATOM 1472 CB VAL A 94 -4.345 -0.143 -9.966 1.00 0.00 C ATOM 1473 CG1 VAL A 94 -3.084 -0.773 -10.568 1.00 0.00 C ATOM 1474 CG2 VAL A 94 -4.237 1.381 -10.066 1.00 0.00 C ATOM 0 H VAL A 94 -4.990 -2.602 -10.080 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.469 -0.089 -10.162 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.399 -0.436 -8.918 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.202 -0.353 -10.085 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.105 -1.851 -10.410 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.047 -0.563 -11.637 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.299 1.710 -9.617 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.262 1.680 -11.114 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -5.072 1.840 -9.538 1.00 0.00 H new ATOM 1484 N THR A 95 -6.316 0.740 -12.453 1.00 0.00 N ATOM 1485 CA THR A 95 -6.690 1.116 -13.831 1.00 0.00 C ATOM 1486 C THR A 95 -5.805 2.174 -14.479 1.00 0.00 C ATOM 1487 O THR A 95 -5.865 2.356 -15.697 1.00 0.00 O ATOM 1488 CB THR A 95 -8.156 1.570 -13.866 1.00 0.00 C ATOM 1489 OG1 THR A 95 -8.411 2.556 -12.878 1.00 0.00 O ATOM 1490 CG2 THR A 95 -9.085 0.398 -13.558 1.00 0.00 C ATOM 0 H THR A 95 -6.522 1.475 -11.776 1.00 0.00 H new ATOM 0 HA THR A 95 -6.542 0.215 -14.426 1.00 0.00 H new ATOM 0 HB THR A 95 -8.337 1.969 -14.864 1.00 0.00 H new ATOM 0 HG1 THR A 95 -8.990 3.252 -13.253 1.00 0.00 H new ATOM 0 HG21 THR A 95 -10.120 0.737 -13.587 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.939 -0.387 -14.300 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.859 0.006 -12.566 1.00 0.00 H new ATOM 1498 N GLY A 96 -4.975 2.863 -13.693 1.00 0.00 N ATOM 1499 CA GLY A 96 -4.029 3.853 -14.200 1.00 0.00 C ATOM 1500 C GLY A 96 -2.676 3.266 -14.632 1.00 0.00 C ATOM 1501 O GLY A 96 -2.496 2.047 -14.709 1.00 0.00 O ATOM 0 H GLY A 96 -4.942 2.747 -12.680 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.478 4.366 -15.050 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.857 4.604 -13.429 1.00 0.00 H new ATOM 1505 N LYS A 97 -1.700 4.147 -14.896 1.00 0.00 N ATOM 1506 CA LYS A 97 -0.343 3.788 -15.367 1.00 0.00 C ATOM 1507 C LYS A 97 0.556 3.150 -14.291 1.00 0.00 C ATOM 1508 O LYS A 97 1.560 2.521 -14.634 1.00 0.00 O ATOM 1509 CB LYS A 97 0.344 5.034 -15.963 1.00 0.00 C ATOM 1510 CG LYS A 97 -0.389 5.693 -17.147 1.00 0.00 C ATOM 1511 CD LYS A 97 -0.556 4.763 -18.358 1.00 0.00 C ATOM 1512 CE LYS A 97 -1.177 5.536 -19.528 1.00 0.00 C ATOM 1513 NZ LYS A 97 -1.343 4.674 -20.728 1.00 0.00 N ATOM 0 H LYS A 97 -1.829 5.153 -14.787 1.00 0.00 H new ATOM 0 HA LYS A 97 -0.479 3.020 -16.128 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.461 5.776 -15.173 1.00 0.00 H new ATOM 0 HB3 LYS A 97 1.346 4.754 -16.289 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.373 6.025 -16.816 1.00 0.00 H new ATOM 0 HG3 LYS A 97 0.161 6.582 -17.455 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.412 4.357 -18.652 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.190 3.917 -18.093 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.147 5.934 -19.228 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.546 6.389 -19.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.765 5.230 -21.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.414 4.315 -21.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.966 3.874 -20.497 1.00 0.00 H new ATOM 1527 N GLY A 98 0.204 3.291 -13.011 1.00 0.00 N ATOM 1528 CA GLY A 98 0.988 2.797 -11.870 1.00 0.00 C ATOM 1529 C GLY A 98 2.254 3.615 -11.575 1.00 0.00 C ATOM 1530 O GLY A 98 2.469 4.683 -12.155 1.00 0.00 O ATOM 0 H GLY A 98 -0.655 3.763 -12.729 1.00 0.00 H new ATOM 0 HA2 GLY A 98 0.355 2.795 -10.982 1.00 0.00 H new ATOM 0 HA3 GLY A 98 1.274 1.762 -12.060 1.00 0.00 H new ATOM 1534 N GLN A 99 3.080 3.124 -10.646 1.00 0.00 N ATOM 1535 CA GLN A 99 4.323 3.772 -10.194 1.00 0.00 C ATOM 1536 C GLN A 99 5.497 2.777 -10.114 1.00 0.00 C ATOM 1537 O GLN A 99 5.310 1.591 -9.840 1.00 0.00 O ATOM 1538 CB GLN A 99 4.103 4.492 -8.849 1.00 0.00 C ATOM 1539 CG GLN A 99 3.032 5.597 -8.943 1.00 0.00 C ATOM 1540 CD GLN A 99 2.931 6.486 -7.705 1.00 0.00 C ATOM 1541 OE1 GLN A 99 3.751 6.467 -6.798 1.00 0.00 O ATOM 1542 NE2 GLN A 99 1.921 7.325 -7.622 1.00 0.00 N ATOM 0 H GLN A 99 2.900 2.239 -10.172 1.00 0.00 H new ATOM 0 HA GLN A 99 4.595 4.519 -10.940 1.00 0.00 H new ATOM 0 HB2 GLN A 99 3.805 3.764 -8.095 1.00 0.00 H new ATOM 0 HB3 GLN A 99 5.044 4.929 -8.516 1.00 0.00 H new ATOM 0 HG2 GLN A 99 3.249 6.223 -9.808 1.00 0.00 H new ATOM 0 HG3 GLN A 99 2.062 5.132 -9.121 1.00 0.00 H new ATOM 0 HE21 GLN A 99 1.224 7.359 -8.366 1.00 0.00 H new ATOM 0 HE22 GLN A 99 1.835 7.941 -6.814 1.00 0.00 H new ATOM 1551 N ASP A 100 6.714 3.267 -10.367 1.00 0.00 N ATOM 1552 CA ASP A 100 7.946 2.474 -10.502 1.00 0.00 C ATOM 1553 C ASP A 100 9.198 3.295 -10.112 1.00 0.00 C ATOM 1554 O ASP A 100 9.145 4.527 -10.051 1.00 0.00 O ATOM 1555 CB ASP A 100 8.035 1.980 -11.961 1.00 0.00 C ATOM 1556 CG ASP A 100 9.225 1.044 -12.227 1.00 0.00 C ATOM 1557 OD1 ASP A 100 9.567 0.231 -11.337 1.00 0.00 O ATOM 1558 OD2 ASP A 100 9.820 1.126 -13.328 1.00 0.00 O ATOM 0 H ASP A 100 6.878 4.266 -10.489 1.00 0.00 H new ATOM 0 HA ASP A 100 7.912 1.624 -9.820 1.00 0.00 H new ATOM 0 HB2 ASP A 100 7.112 1.460 -12.216 1.00 0.00 H new ATOM 0 HB3 ASP A 100 8.108 2.843 -12.623 1.00 0.00 H new ATOM 1563 N GLY A 101 10.332 2.631 -9.859 1.00 0.00 N ATOM 1564 CA GLY A 101 11.619 3.280 -9.580 1.00 0.00 C ATOM 1565 C GLY A 101 12.731 2.327 -9.124 1.00 0.00 C ATOM 1566 O GLY A 101 12.642 1.111 -9.310 1.00 0.00 O ATOM 0 H GLY A 101 10.382 1.612 -9.842 1.00 0.00 H new ATOM 0 HA2 GLY A 101 11.951 3.800 -10.479 1.00 0.00 H new ATOM 0 HA3 GLY A 101 11.470 4.037 -8.810 1.00 0.00 H new ATOM 1570 N ILE A 102 13.788 2.898 -8.533 1.00 0.00 N ATOM 1571 CA ILE A 102 14.993 2.184 -8.066 1.00 0.00 C ATOM 1572 C ILE A 102 15.487 2.684 -6.689 1.00 0.00 C ATOM 1573 O ILE A 102 16.678 2.660 -6.372 1.00 0.00 O ATOM 1574 CB ILE A 102 16.050 2.167 -9.201 1.00 0.00 C ATOM 1575 CG1 ILE A 102 17.107 1.060 -8.991 1.00 0.00 C ATOM 1576 CG2 ILE A 102 16.677 3.557 -9.434 1.00 0.00 C ATOM 1577 CD1 ILE A 102 17.958 0.780 -10.236 1.00 0.00 C ATOM 0 H ILE A 102 13.834 3.902 -8.359 1.00 0.00 H new ATOM 0 HA ILE A 102 14.751 1.141 -7.860 1.00 0.00 H new ATOM 0 HB ILE A 102 15.524 1.916 -10.122 1.00 0.00 H new ATOM 0 HG12 ILE A 102 17.763 1.347 -8.169 1.00 0.00 H new ATOM 0 HG13 ILE A 102 16.604 0.141 -8.691 1.00 0.00 H new ATOM 0 HG21 ILE A 102 17.411 3.495 -10.238 1.00 0.00 H new ATOM 0 HG22 ILE A 102 15.897 4.267 -9.709 1.00 0.00 H new ATOM 0 HG23 ILE A 102 17.167 3.893 -8.520 1.00 0.00 H new ATOM 0 HD11 ILE A 102 18.678 -0.008 -10.015 1.00 0.00 H new ATOM 0 HD12 ILE A 102 17.312 0.462 -11.054 1.00 0.00 H new ATOM 0 HD13 ILE A 102 18.490 1.687 -10.525 1.00 0.00 H new ATOM 1589 N GLY A 103 14.559 3.125 -5.834 1.00 0.00 N ATOM 1590 CA GLY A 103 14.866 3.605 -4.481 1.00 0.00 C ATOM 1591 C GLY A 103 15.539 4.985 -4.449 1.00 0.00 C ATOM 1592 O GLY A 103 15.421 5.770 -5.393 1.00 0.00 O ATOM 0 H GLY A 103 13.565 3.160 -6.062 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.943 3.648 -3.903 1.00 0.00 H new ATOM 0 HA3 GLY A 103 15.517 2.883 -3.989 1.00 0.00 H new ATOM 1596 N SER A 104 16.246 5.275 -3.353 1.00 0.00 N ATOM 1597 CA SER A 104 17.068 6.485 -3.165 1.00 0.00 C ATOM 1598 C SER A 104 18.566 6.156 -3.064 1.00 0.00 C ATOM 1599 O SER A 104 18.949 5.053 -2.661 1.00 0.00 O ATOM 1600 CB SER A 104 16.610 7.272 -1.931 1.00 0.00 C ATOM 1601 OG SER A 104 15.323 7.832 -2.148 1.00 0.00 O ATOM 0 H SER A 104 16.266 4.656 -2.542 1.00 0.00 H new ATOM 0 HA SER A 104 16.927 7.106 -4.050 1.00 0.00 H new ATOM 0 HB2 SER A 104 16.585 6.615 -1.062 1.00 0.00 H new ATOM 0 HB3 SER A 104 17.326 8.064 -1.711 1.00 0.00 H new ATOM 0 HG SER A 104 15.399 8.806 -2.229 1.00 0.00 H new ATOM 1607 N LYS A 105 19.416 7.130 -3.420 1.00 0.00 N ATOM 1608 CA LYS A 105 20.887 7.029 -3.472 1.00 0.00 C ATOM 1609 C LYS A 105 21.542 8.228 -2.769 1.00 0.00 C ATOM 1610 O LYS A 105 21.024 9.345 -2.853 1.00 0.00 O ATOM 1611 CB LYS A 105 21.306 6.914 -4.951 1.00 0.00 C ATOM 1612 CG LYS A 105 22.770 6.499 -5.150 1.00 0.00 C ATOM 1613 CD LYS A 105 23.104 6.380 -6.646 1.00 0.00 C ATOM 1614 CE LYS A 105 24.565 5.985 -6.907 1.00 0.00 C ATOM 1615 NZ LYS A 105 24.864 4.590 -6.485 1.00 0.00 N ATOM 0 H LYS A 105 19.084 8.055 -3.693 1.00 0.00 H new ATOM 0 HA LYS A 105 21.229 6.143 -2.938 1.00 0.00 H new ATOM 0 HB2 LYS A 105 20.662 6.187 -5.446 1.00 0.00 H new ATOM 0 HB3 LYS A 105 21.140 7.873 -5.441 1.00 0.00 H new ATOM 0 HG2 LYS A 105 23.427 7.232 -4.683 1.00 0.00 H new ATOM 0 HG3 LYS A 105 22.953 5.545 -4.655 1.00 0.00 H new ATOM 0 HD2 LYS A 105 22.447 5.639 -7.101 1.00 0.00 H new ATOM 0 HD3 LYS A 105 22.898 7.332 -7.135 1.00 0.00 H new ATOM 0 HE2 LYS A 105 24.783 6.094 -7.969 1.00 0.00 H new ATOM 0 HE3 LYS A 105 25.224 6.671 -6.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 25.825 4.334 -6.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 24.798 4.519 -5.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 24.178 3.941 -6.921 1.00 0.00 H new ATOM 1629 N ALA A 106 22.670 8.006 -2.092 1.00 0.00 N ATOM 1630 CA ALA A 106 23.416 9.030 -1.342 1.00 0.00 C ATOM 1631 C ALA A 106 24.869 9.212 -1.815 1.00 0.00 C ATOM 1632 O ALA A 106 25.523 10.197 -1.462 1.00 0.00 O ATOM 1633 CB ALA A 106 23.337 8.674 0.148 1.00 0.00 C ATOM 0 H ALA A 106 23.106 7.085 -2.046 1.00 0.00 H new ATOM 0 HA ALA A 106 22.954 10.000 -1.527 1.00 0.00 H new ATOM 0 HB1 ALA A 106 23.882 9.418 0.729 1.00 0.00 H new ATOM 0 HB2 ALA A 106 22.294 8.660 0.464 1.00 0.00 H new ATOM 0 HB3 ALA A 106 23.778 7.691 0.311 1.00 0.00 H new ATOM 1639 N GLU A 107 25.381 8.280 -2.617 1.00 0.00 N ATOM 1640 CA GLU A 107 26.770 8.260 -3.075 1.00 0.00 C ATOM 1641 C GLU A 107 27.040 9.288 -4.193 1.00 0.00 C ATOM 1642 O GLU A 107 26.171 9.556 -5.030 1.00 0.00 O ATOM 1643 CB GLU A 107 27.190 6.845 -3.523 1.00 0.00 C ATOM 1644 CG GLU A 107 26.792 5.701 -2.571 1.00 0.00 C ATOM 1645 CD GLU A 107 25.379 5.166 -2.878 1.00 0.00 C ATOM 1646 OE1 GLU A 107 25.250 4.283 -3.760 1.00 0.00 O ATOM 1647 OE2 GLU A 107 24.389 5.668 -2.293 1.00 0.00 O ATOM 0 H GLU A 107 24.830 7.500 -2.975 1.00 0.00 H new ATOM 0 HA GLU A 107 27.382 8.549 -2.220 1.00 0.00 H new ATOM 0 HB2 GLU A 107 26.753 6.648 -4.502 1.00 0.00 H new ATOM 0 HB3 GLU A 107 28.273 6.829 -3.649 1.00 0.00 H new ATOM 0 HG2 GLU A 107 27.514 4.889 -2.656 1.00 0.00 H new ATOM 0 HG3 GLU A 107 26.831 6.055 -1.541 1.00 0.00 H new ATOM 1654 N LYS A 108 28.261 9.844 -4.221 1.00 0.00 N ATOM 1655 CA LYS A 108 28.721 10.866 -5.182 1.00 0.00 C ATOM 1656 C LYS A 108 30.196 10.678 -5.568 1.00 0.00 C ATOM 1657 O LYS A 108 30.519 10.925 -6.753 1.00 0.00 O ATOM 1658 CB LYS A 108 28.445 12.264 -4.587 1.00 0.00 C ATOM 1659 CG LYS A 108 28.841 13.437 -5.502 1.00 0.00 C ATOM 1660 CD LYS A 108 27.986 13.557 -6.778 1.00 0.00 C ATOM 1661 CE LYS A 108 28.833 13.987 -7.982 1.00 0.00 C ATOM 1662 NZ LYS A 108 29.587 12.842 -8.559 1.00 0.00 N ATOM 1663 OXT LYS A 108 31.010 10.292 -4.699 1.00 0.00 O ATOM 0 H LYS A 108 28.985 9.586 -3.550 1.00 0.00 H new ATOM 0 HA LYS A 108 28.164 10.758 -6.113 1.00 0.00 H new ATOM 0 HB2 LYS A 108 27.383 12.343 -4.355 1.00 0.00 H new ATOM 0 HB3 LYS A 108 28.985 12.357 -3.644 1.00 0.00 H new ATOM 0 HG2 LYS A 108 28.764 14.366 -4.937 1.00 0.00 H new ATOM 0 HG3 LYS A 108 29.887 13.324 -5.788 1.00 0.00 H new ATOM 0 HD2 LYS A 108 27.510 12.600 -6.990 1.00 0.00 H new ATOM 0 HD3 LYS A 108 27.188 14.281 -6.616 1.00 0.00 H new ATOM 0 HE2 LYS A 108 28.187 14.420 -8.746 1.00 0.00 H new ATOM 0 HE3 LYS A 108 29.531 14.766 -7.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 30.496 13.179 -8.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 29.761 12.133 -7.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 29.032 12.412 -9.327 1.00 0.00 H new TER 1677 LYS A 108 HETATM 1678 ZN ZN A 109 7.179 -2.682 -7.703 1.00 0.00 ZN