USER MOD reduce.3.24.130724 H: found=0, std=0, add=1083, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1079 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 135 HIS : no HD1:sc= 1.11 K(o=2,f=-5.4!) USER MOD Set 1.2: A 136 SER OG : rot 87:sc= 0.839 USER MOD Set 2.1: A 64 THR OG1 : rot 180:sc= -0.0251 USER MOD Set 2.2: A 65 THR OG1 : rot 166:sc= 1.33 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0431 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -93:sc= 1.2 USER MOD Single : A 34 LYS NZ :NH3+ 143:sc= 1.25 (180deg=1.17) USER MOD Single : A 35 SER OG : rot -170:sc= -0.61 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.104 K(o=-0.1,f=-3.4!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.0605 X(o=-0.061,f=-0.095) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 HIS : no HD1:sc= -0.37 X(o=-0.37,f=-0.46) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.786 K(o=-0.79,f=-9.8!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.208 X(o=-0.21,f=-0.31) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.00162 USER MOD Single : A 70 GLN : amide:sc= -0.235 X(o=-0.24,f=0) USER MOD Single : A 74 GLN : amide:sc= -0.867 K(o=-0.87,f=-0.19) USER MOD Single : A 78 LYS NZ :NH3+ -170:sc= -0.0093 (180deg=-0.131) USER MOD Single : A 79 LYS NZ :NH3+ -135:sc= 1.27 (180deg=1.06) USER MOD Single : A 81 LYS NZ :NH3+ 143:sc= 0.383 (180deg=-0.447) USER MOD Single : A 88 ASN : amide:sc= -1.33 K(o=-1.3,f=-0.047) USER MOD Single : A 90 SER OG : rot -44:sc= 0.135 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 46:sc= 1.48 USER MOD Single : A 100 LYS NZ :NH3+ -169:sc= 0.762 (180deg=0.386) USER MOD Single : A 104 LYS NZ :NH3+ 179:sc= 1.06 (180deg=1.06) USER MOD Single : A 105 SER OG : rot -120:sc= 0.109 USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 LYS NZ :NH3+ -151:sc= 1.25 (180deg=0.198) USER MOD Single : A 123 TYR OH : rot 43:sc= 1.07 USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 132 CYS SG : rot 11:sc= -1.96! USER MOD Single : A 138 LYS NZ :NH3+ -176:sc= 0.201 (180deg=0.16) USER MOD Single : A 141 MET CE :methyl 139:sc= -0.216 (180deg=-1.2) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 14 -27.474 9.811 12.109 1.00 11.00 N ATOM 2 CA ASP A 14 -26.959 8.481 11.764 1.00 43.05 C ATOM 3 C ASP A 14 -25.452 8.483 11.685 1.00 0.02 C ATOM 4 O ASP A 14 -24.780 7.985 12.586 1.00 31.31 O ATOM 5 CB ASP A 14 -27.531 7.950 10.448 1.00 13.13 C ATOM 6 CG ASP A 14 -29.000 7.672 10.505 1.00 73.13 C ATOM 7 OD1 ASP A 14 -29.782 8.433 9.908 1.00 34.31 O ATOM 8 OD2 ASP A 14 -29.412 6.689 11.154 1.00 41.22 O ATOM 0 HA ASP A 14 -27.283 7.817 12.566 1.00 43.05 H new ATOM 0 HB2 ASP A 14 -27.337 8.675 9.658 1.00 13.13 H new ATOM 0 HB3 ASP A 14 -27.006 7.034 10.176 1.00 13.13 H new ATOM 13 N MET A 15 -24.901 9.039 10.616 1.00 12.34 N ATOM 14 CA MET A 15 -23.463 9.041 10.441 1.00 12.44 C ATOM 15 C MET A 15 -22.940 10.433 10.179 1.00 60.45 C ATOM 16 O MET A 15 -23.083 10.978 9.073 1.00 4.33 O ATOM 17 CB MET A 15 -23.015 8.078 9.327 1.00 54.23 C ATOM 18 CG MET A 15 -23.298 6.610 9.614 1.00 31.23 C ATOM 19 SD MET A 15 -22.735 5.516 8.297 1.00 30.33 S ATOM 20 CE MET A 15 -23.216 3.922 8.965 1.00 33.34 C ATOM 0 H MET A 15 -25.425 9.489 9.866 1.00 12.34 H new ATOM 0 HA MET A 15 -23.034 8.685 11.378 1.00 12.44 H new ATOM 0 HB2 MET A 15 -23.515 8.357 8.399 1.00 54.23 H new ATOM 0 HB3 MET A 15 -21.945 8.204 9.163 1.00 54.23 H new ATOM 0 HG2 MET A 15 -22.811 6.327 10.547 1.00 31.23 H new ATOM 0 HG3 MET A 15 -24.370 6.474 9.759 1.00 31.23 H new ATOM 0 HE1 MET A 15 -22.936 3.135 8.265 1.00 33.34 H new ATOM 0 HE2 MET A 15 -22.710 3.759 9.917 1.00 33.34 H new ATOM 0 HE3 MET A 15 -24.295 3.903 9.119 1.00 33.34 H new ATOM 30 N VAL A 16 -22.379 11.024 11.200 1.00 44.42 N ATOM 31 CA VAL A 16 -21.764 12.326 11.073 1.00 1.11 C ATOM 32 C VAL A 16 -20.292 12.079 10.690 1.00 44.13 C ATOM 33 O VAL A 16 -19.824 10.969 10.843 1.00 53.44 O ATOM 34 CB VAL A 16 -21.868 13.139 12.406 1.00 13.04 C ATOM 35 CG1 VAL A 16 -21.562 14.614 12.185 1.00 1.33 C ATOM 36 CG2 VAL A 16 -23.241 12.980 13.038 1.00 2.13 C ATOM 0 H VAL A 16 -22.333 10.624 12.137 1.00 44.42 H new ATOM 0 HA VAL A 16 -22.273 12.920 10.314 1.00 1.11 H new ATOM 0 HB VAL A 16 -21.121 12.734 13.089 1.00 13.04 H new ATOM 0 HG11 VAL A 16 -21.644 15.148 13.132 1.00 1.33 H new ATOM 0 HG12 VAL A 16 -20.550 14.721 11.794 1.00 1.33 H new ATOM 0 HG13 VAL A 16 -22.273 15.030 11.471 1.00 1.33 H new ATOM 0 HG21 VAL A 16 -23.285 13.556 13.963 1.00 2.13 H new ATOM 0 HG22 VAL A 16 -24.003 13.343 12.348 1.00 2.13 H new ATOM 0 HG23 VAL A 16 -23.421 11.928 13.257 1.00 2.13 H new ATOM 46 N THR A 17 -19.600 13.101 10.243 1.00 22.12 N ATOM 47 CA THR A 17 -18.226 13.039 9.705 1.00 33.12 C ATOM 48 C THR A 17 -17.249 12.078 10.473 1.00 73.12 C ATOM 49 O THR A 17 -16.828 11.010 9.950 1.00 52.32 O ATOM 50 CB THR A 17 -17.650 14.482 9.664 1.00 43.51 C ATOM 51 OG1 THR A 17 -17.702 15.065 10.987 1.00 12.55 O ATOM 52 CG2 THR A 17 -18.490 15.349 8.740 1.00 33.32 C ATOM 0 H THR A 17 -19.980 14.048 10.236 1.00 22.12 H new ATOM 0 HA THR A 17 -18.301 12.606 8.707 1.00 33.12 H new ATOM 0 HB THR A 17 -16.621 14.434 9.307 1.00 43.51 H new ATOM 0 HG1 THR A 17 -17.337 15.974 10.959 1.00 12.55 H new ATOM 0 HG21 THR A 17 -18.080 16.359 8.716 1.00 33.32 H new ATOM 0 HG22 THR A 17 -18.477 14.928 7.735 1.00 33.32 H new ATOM 0 HG23 THR A 17 -19.516 15.382 9.106 1.00 33.32 H new ATOM 60 N ASP A 18 -16.941 12.428 11.711 1.00 24.22 N ATOM 61 CA ASP A 18 -15.997 11.668 12.521 1.00 21.24 C ATOM 62 C ASP A 18 -16.549 10.308 12.907 1.00 3.41 C ATOM 63 O ASP A 18 -15.801 9.346 13.093 1.00 25.15 O ATOM 64 CB ASP A 18 -15.552 12.454 13.754 1.00 75.13 C ATOM 65 CG ASP A 18 -14.697 13.669 13.410 1.00 60.53 C ATOM 66 OD1 ASP A 18 -15.252 14.772 13.184 1.00 62.35 O ATOM 67 OD2 ASP A 18 -13.448 13.548 13.346 1.00 34.50 O ATOM 0 H ASP A 18 -17.335 13.242 12.183 1.00 24.22 H new ATOM 0 HA ASP A 18 -15.116 11.497 11.903 1.00 21.24 H new ATOM 0 HB2 ASP A 18 -16.433 12.781 14.307 1.00 75.13 H new ATOM 0 HB3 ASP A 18 -14.988 11.795 14.414 1.00 75.13 H new ATOM 72 N LEU A 19 -17.865 10.219 12.981 1.00 64.52 N ATOM 73 CA LEU A 19 -18.547 8.980 13.305 1.00 43.02 C ATOM 74 C LEU A 19 -18.391 8.032 12.116 1.00 31.22 C ATOM 75 O LEU A 19 -18.127 6.850 12.284 1.00 41.02 O ATOM 76 CB LEU A 19 -20.051 9.292 13.611 1.00 44.54 C ATOM 77 CG LEU A 19 -20.983 8.151 14.124 1.00 22.04 C ATOM 78 CD1 LEU A 19 -21.260 7.086 13.071 1.00 12.32 C ATOM 79 CD2 LEU A 19 -20.407 7.519 15.370 1.00 45.11 C ATOM 0 H LEU A 19 -18.492 11.007 12.817 1.00 64.52 H new ATOM 0 HA LEU A 19 -18.121 8.505 14.189 1.00 43.02 H new ATOM 0 HB2 LEU A 19 -20.075 10.091 14.352 1.00 44.54 H new ATOM 0 HB3 LEU A 19 -20.494 9.690 12.698 1.00 44.54 H new ATOM 0 HG LEU A 19 -21.941 8.615 14.359 1.00 22.04 H new ATOM 0 HD11 LEU A 19 -21.914 6.321 13.490 1.00 12.32 H new ATOM 0 HD12 LEU A 19 -21.744 7.544 12.209 1.00 12.32 H new ATOM 0 HD13 LEU A 19 -20.321 6.629 12.760 1.00 12.32 H new ATOM 0 HD21 LEU A 19 -21.069 6.725 15.715 1.00 45.11 H new ATOM 0 HD22 LEU A 19 -19.426 7.101 15.146 1.00 45.11 H new ATOM 0 HD23 LEU A 19 -20.310 8.275 16.150 1.00 45.11 H new ATOM 91 N ASP A 20 -18.511 8.593 10.936 1.00 23.22 N ATOM 92 CA ASP A 20 -18.416 7.870 9.671 1.00 41.13 C ATOM 93 C ASP A 20 -17.060 7.254 9.535 1.00 14.23 C ATOM 94 O ASP A 20 -16.931 6.032 9.332 1.00 45.41 O ATOM 95 CB ASP A 20 -18.695 8.826 8.494 1.00 53.53 C ATOM 96 CG ASP A 20 -18.456 8.216 7.121 1.00 22.22 C ATOM 97 OD1 ASP A 20 -19.348 7.498 6.610 1.00 71.51 O ATOM 98 OD2 ASP A 20 -17.414 8.494 6.502 1.00 74.52 O ATOM 0 H ASP A 20 -18.682 9.591 10.816 1.00 23.22 H new ATOM 0 HA ASP A 20 -19.162 7.076 9.657 1.00 41.13 H new ATOM 0 HB2 ASP A 20 -19.730 9.164 8.553 1.00 53.53 H new ATOM 0 HB3 ASP A 20 -18.065 9.709 8.601 1.00 53.53 H new ATOM 103 N VAL A 21 -16.047 8.074 9.721 1.00 51.41 N ATOM 104 CA VAL A 21 -14.693 7.592 9.609 1.00 53.02 C ATOM 105 C VAL A 21 -14.335 6.553 10.690 1.00 62.12 C ATOM 106 O VAL A 21 -13.717 5.527 10.379 1.00 4.44 O ATOM 107 CB VAL A 21 -13.639 8.731 9.534 1.00 1.20 C ATOM 108 CG1 VAL A 21 -13.721 9.629 10.732 1.00 64.24 C ATOM 109 CG2 VAL A 21 -12.241 8.172 9.389 1.00 52.00 C ATOM 0 H VAL A 21 -16.136 9.065 9.947 1.00 51.41 H new ATOM 0 HA VAL A 21 -14.655 7.076 8.650 1.00 53.02 H new ATOM 0 HB VAL A 21 -13.864 9.325 8.648 1.00 1.20 H new ATOM 0 HG11 VAL A 21 -12.971 10.415 10.649 1.00 64.24 H new ATOM 0 HG12 VAL A 21 -14.713 10.078 10.783 1.00 64.24 H new ATOM 0 HG13 VAL A 21 -13.539 9.047 11.636 1.00 64.24 H new ATOM 0 HG21 VAL A 21 -11.525 8.992 9.339 1.00 52.00 H new ATOM 0 HG22 VAL A 21 -12.011 7.541 10.247 1.00 52.00 H new ATOM 0 HG23 VAL A 21 -12.179 7.580 8.476 1.00 52.00 H new ATOM 119 N LYS A 22 -14.734 6.778 11.943 1.00 62.33 N ATOM 120 CA LYS A 22 -14.400 5.800 12.967 1.00 64.35 C ATOM 121 C LYS A 22 -15.255 4.553 12.853 1.00 55.22 C ATOM 122 O LYS A 22 -14.843 3.474 13.270 1.00 24.11 O ATOM 123 CB LYS A 22 -14.401 6.379 14.391 1.00 71.35 C ATOM 124 CG LYS A 22 -15.729 6.918 14.904 1.00 71.11 C ATOM 125 CD LYS A 22 -15.571 7.513 16.305 1.00 44.14 C ATOM 126 CE LYS A 22 -14.560 8.669 16.328 1.00 21.22 C ATOM 127 NZ LYS A 22 -14.288 9.161 17.693 1.00 34.22 N ATOM 0 H LYS A 22 -15.264 7.590 12.259 1.00 62.33 H new ATOM 0 HA LYS A 22 -13.368 5.506 12.776 1.00 64.35 H new ATOM 0 HB2 LYS A 22 -14.061 5.602 15.076 1.00 71.35 H new ATOM 0 HB3 LYS A 22 -13.667 7.184 14.433 1.00 71.35 H new ATOM 0 HG2 LYS A 22 -16.105 7.680 14.221 1.00 71.11 H new ATOM 0 HG3 LYS A 22 -16.468 6.117 14.926 1.00 71.11 H new ATOM 0 HD2 LYS A 22 -16.538 7.870 16.658 1.00 44.14 H new ATOM 0 HD3 LYS A 22 -15.247 6.734 16.995 1.00 44.14 H new ATOM 0 HE2 LYS A 22 -13.626 8.339 15.872 1.00 21.22 H new ATOM 0 HE3 LYS A 22 -14.939 9.490 15.719 1.00 21.22 H new ATOM 0 HZ1 LYS A 22 -13.600 9.940 17.651 1.00 34.22 H new ATOM 0 HZ2 LYS A 22 -15.172 9.503 18.121 1.00 34.22 H new ATOM 0 HZ3 LYS A 22 -13.900 8.388 18.270 1.00 34.22 H new ATOM 141 N GLY A 23 -16.429 4.693 12.266 1.00 62.05 N ATOM 142 CA GLY A 23 -17.284 3.566 12.071 1.00 4.31 C ATOM 143 C GLY A 23 -16.718 2.627 11.044 1.00 15.11 C ATOM 144 O GLY A 23 -16.487 1.443 11.335 1.00 61.35 O ATOM 0 H GLY A 23 -16.800 5.578 11.921 1.00 62.05 H new ATOM 0 HA2 GLY A 23 -17.417 3.039 13.016 1.00 4.31 H new ATOM 0 HA3 GLY A 23 -18.270 3.905 11.754 1.00 4.31 H new ATOM 148 N LEU A 24 -16.421 3.152 9.860 1.00 1.22 N ATOM 149 CA LEU A 24 -15.910 2.310 8.799 1.00 10.51 C ATOM 150 C LEU A 24 -14.487 1.879 9.143 1.00 33.11 C ATOM 151 O LEU A 24 -14.105 0.757 8.887 1.00 51.31 O ATOM 152 CB LEU A 24 -15.982 3.030 7.423 1.00 35.53 C ATOM 153 CG LEU A 24 -14.898 4.077 7.109 1.00 52.54 C ATOM 154 CD1 LEU A 24 -13.715 3.463 6.350 1.00 24.01 C ATOM 155 CD2 LEU A 24 -15.473 5.265 6.369 1.00 25.30 C ATOM 0 H LEU A 24 -16.524 4.138 9.619 1.00 1.22 H new ATOM 0 HA LEU A 24 -16.533 1.420 8.713 1.00 10.51 H new ATOM 0 HB2 LEU A 24 -15.950 2.269 6.643 1.00 35.53 H new ATOM 0 HB3 LEU A 24 -16.953 3.520 7.350 1.00 35.53 H new ATOM 0 HG LEU A 24 -14.515 4.438 8.063 1.00 52.54 H new ATOM 0 HD11 LEU A 24 -12.972 4.235 6.148 1.00 24.01 H new ATOM 0 HD12 LEU A 24 -13.265 2.675 6.954 1.00 24.01 H new ATOM 0 HD13 LEU A 24 -14.066 3.042 5.408 1.00 24.01 H new ATOM 0 HD21 LEU A 24 -14.680 5.984 6.164 1.00 25.30 H new ATOM 0 HD22 LEU A 24 -15.912 4.930 5.429 1.00 25.30 H new ATOM 0 HD23 LEU A 24 -16.242 5.737 6.981 1.00 25.30 H new ATOM 167 N GLY A 25 -13.733 2.783 9.773 1.00 1.44 N ATOM 168 CA GLY A 25 -12.364 2.507 10.146 1.00 50.24 C ATOM 169 C GLY A 25 -12.252 1.386 11.149 1.00 61.54 C ATOM 170 O GLY A 25 -11.382 0.494 11.010 1.00 23.11 O ATOM 0 H GLY A 25 -14.059 3.714 10.032 1.00 1.44 H new ATOM 0 HA2 GLY A 25 -11.793 2.250 9.254 1.00 50.24 H new ATOM 0 HA3 GLY A 25 -11.916 3.409 10.563 1.00 50.24 H new ATOM 174 N TYR A 26 -13.128 1.388 12.152 1.00 4.53 N ATOM 175 CA TYR A 26 -13.073 0.353 13.140 1.00 52.01 C ATOM 176 C TYR A 26 -13.589 -0.939 12.556 1.00 31.41 C ATOM 177 O TYR A 26 -13.016 -1.978 12.800 1.00 60.04 O ATOM 178 CB TYR A 26 -13.828 0.704 14.434 1.00 65.41 C ATOM 179 CG TYR A 26 -13.573 -0.307 15.542 1.00 52.21 C ATOM 180 CD1 TYR A 26 -14.422 -1.390 15.755 1.00 64.01 C ATOM 181 CD2 TYR A 26 -12.448 -0.195 16.344 1.00 71.23 C ATOM 182 CE1 TYR A 26 -14.147 -2.327 16.735 1.00 21.21 C ATOM 183 CE2 TYR A 26 -12.174 -1.117 17.326 1.00 74.31 C ATOM 184 CZ TYR A 26 -13.020 -2.181 17.518 1.00 31.44 C ATOM 185 OH TYR A 26 -12.728 -3.120 18.492 1.00 41.35 O ATOM 0 H TYR A 26 -13.862 2.084 12.287 1.00 4.53 H new ATOM 0 HA TYR A 26 -12.027 0.239 13.424 1.00 52.01 H new ATOM 0 HB2 TYR A 26 -13.524 1.695 14.772 1.00 65.41 H new ATOM 0 HB3 TYR A 26 -14.897 0.751 14.227 1.00 65.41 H new ATOM 0 HD1 TYR A 26 -15.308 -1.500 15.147 1.00 64.01 H new ATOM 0 HD2 TYR A 26 -11.772 0.634 16.194 1.00 71.23 H new ATOM 0 HE1 TYR A 26 -14.809 -3.167 16.886 1.00 21.21 H new ATOM 0 HE2 TYR A 26 -11.296 -1.005 17.945 1.00 74.31 H new ATOM 0 HH TYR A 26 -11.900 -2.868 18.951 1.00 41.35 H new ATOM 195 N ASP A 27 -14.646 -0.860 11.746 1.00 10.14 N ATOM 196 CA ASP A 27 -15.237 -2.058 11.144 1.00 55.22 C ATOM 197 C ASP A 27 -14.236 -2.732 10.214 1.00 34.14 C ATOM 198 O ASP A 27 -14.096 -3.951 10.212 1.00 71.31 O ATOM 199 CB ASP A 27 -16.517 -1.712 10.396 1.00 5.51 C ATOM 200 CG ASP A 27 -17.244 -2.935 9.899 1.00 75.12 C ATOM 201 OD1 ASP A 27 -17.338 -3.138 8.689 1.00 22.03 O ATOM 202 OD2 ASP A 27 -17.770 -3.705 10.737 1.00 51.44 O ATOM 0 H ASP A 27 -15.108 0.013 11.493 1.00 10.14 H new ATOM 0 HA ASP A 27 -15.491 -2.755 11.943 1.00 55.22 H new ATOM 0 HB2 ASP A 27 -17.176 -1.144 11.053 1.00 5.51 H new ATOM 0 HB3 ASP A 27 -16.277 -1.067 9.550 1.00 5.51 H new ATOM 207 N PHE A 28 -13.498 -1.910 9.487 1.00 70.05 N ATOM 208 CA PHE A 28 -12.438 -2.351 8.599 1.00 34.33 C ATOM 209 C PHE A 28 -11.358 -3.073 9.407 1.00 14.23 C ATOM 210 O PHE A 28 -11.014 -4.223 9.123 1.00 13.13 O ATOM 211 CB PHE A 28 -11.895 -1.089 7.893 1.00 63.02 C ATOM 212 CG PHE A 28 -10.635 -1.194 7.082 1.00 34.44 C ATOM 213 CD1 PHE A 28 -9.408 -1.045 7.696 1.00 40.21 C ATOM 214 CD2 PHE A 28 -10.674 -1.360 5.707 1.00 41.52 C ATOM 215 CE1 PHE A 28 -8.247 -1.064 6.967 1.00 43.25 C ATOM 216 CE2 PHE A 28 -9.508 -1.390 4.971 1.00 24.54 C ATOM 217 CZ PHE A 28 -8.296 -1.238 5.598 1.00 52.10 C ATOM 0 H PHE A 28 -13.622 -0.898 9.499 1.00 70.05 H new ATOM 0 HA PHE A 28 -12.796 -3.060 7.853 1.00 34.33 H new ATOM 0 HB2 PHE A 28 -12.680 -0.717 7.235 1.00 63.02 H new ATOM 0 HB3 PHE A 28 -11.732 -0.329 8.657 1.00 63.02 H new ATOM 0 HD1 PHE A 28 -9.362 -0.911 8.767 1.00 40.21 H new ATOM 0 HD2 PHE A 28 -11.625 -1.467 5.207 1.00 41.52 H new ATOM 0 HE1 PHE A 28 -7.295 -0.943 7.463 1.00 43.25 H new ATOM 0 HE2 PHE A 28 -9.548 -1.533 3.901 1.00 24.54 H new ATOM 0 HZ PHE A 28 -7.383 -1.254 5.022 1.00 52.10 H new ATOM 227 N ILE A 29 -10.862 -2.424 10.440 1.00 63.44 N ATOM 228 CA ILE A 29 -9.847 -3.031 11.280 1.00 50.12 C ATOM 229 C ILE A 29 -10.370 -4.272 12.017 1.00 51.20 C ATOM 230 O ILE A 29 -9.635 -5.248 12.200 1.00 61.34 O ATOM 231 CB ILE A 29 -9.165 -1.987 12.211 1.00 41.34 C ATOM 232 CG1 ILE A 29 -8.107 -1.184 11.425 1.00 5.05 C ATOM 233 CG2 ILE A 29 -8.562 -2.597 13.484 1.00 13.54 C ATOM 234 CD1 ILE A 29 -6.996 -2.036 10.815 1.00 44.41 C ATOM 0 H ILE A 29 -11.142 -1.483 10.718 1.00 63.44 H new ATOM 0 HA ILE A 29 -9.057 -3.399 10.625 1.00 50.12 H new ATOM 0 HB ILE A 29 -9.951 -1.314 12.553 1.00 41.34 H new ATOM 0 HG12 ILE A 29 -8.605 -0.632 10.628 1.00 5.05 H new ATOM 0 HG13 ILE A 29 -7.659 -0.447 12.091 1.00 5.05 H new ATOM 0 HG21 ILE A 29 -8.104 -1.810 14.083 1.00 13.54 H new ATOM 0 HG22 ILE A 29 -9.348 -3.083 14.062 1.00 13.54 H new ATOM 0 HG23 ILE A 29 -7.805 -3.332 13.212 1.00 13.54 H new ATOM 0 HD11 ILE A 29 -6.296 -1.393 10.281 1.00 44.41 H new ATOM 0 HD12 ILE A 29 -6.469 -2.567 11.607 1.00 44.41 H new ATOM 0 HD13 ILE A 29 -7.429 -2.756 10.121 1.00 44.41 H new ATOM 246 N ASP A 30 -11.634 -4.249 12.378 1.00 44.13 N ATOM 247 CA ASP A 30 -12.292 -5.388 13.005 1.00 22.50 C ATOM 248 C ASP A 30 -12.271 -6.576 12.094 1.00 54.42 C ATOM 249 O ASP A 30 -11.774 -7.625 12.472 1.00 53.33 O ATOM 250 CB ASP A 30 -13.740 -5.066 13.404 1.00 11.25 C ATOM 251 CG ASP A 30 -14.512 -6.291 13.872 1.00 2.55 C ATOM 252 OD1 ASP A 30 -15.374 -6.808 13.113 1.00 51.25 O ATOM 253 OD2 ASP A 30 -14.265 -6.770 15.007 1.00 25.12 O ATOM 0 H ASP A 30 -12.242 -3.440 12.247 1.00 44.13 H new ATOM 0 HA ASP A 30 -11.736 -5.619 13.913 1.00 22.50 H new ATOM 0 HB2 ASP A 30 -13.735 -4.320 14.199 1.00 11.25 H new ATOM 0 HB3 ASP A 30 -14.256 -4.621 12.553 1.00 11.25 H new ATOM 258 N LEU A 31 -12.719 -6.399 10.870 1.00 22.44 N ATOM 259 CA LEU A 31 -12.802 -7.510 9.958 1.00 31.25 C ATOM 260 C LEU A 31 -11.414 -7.991 9.531 1.00 42.11 C ATOM 261 O LEU A 31 -11.225 -9.156 9.204 1.00 11.33 O ATOM 262 CB LEU A 31 -13.747 -7.198 8.784 1.00 71.41 C ATOM 263 CG LEU A 31 -13.411 -6.002 7.901 1.00 43.50 C ATOM 264 CD1 LEU A 31 -12.302 -6.316 6.928 1.00 71.21 C ATOM 265 CD2 LEU A 31 -14.639 -5.506 7.190 1.00 30.41 C ATOM 0 H LEU A 31 -13.028 -5.504 10.490 1.00 22.44 H new ATOM 0 HA LEU A 31 -13.251 -8.354 10.481 1.00 31.25 H new ATOM 0 HB2 LEU A 31 -13.794 -8.082 8.148 1.00 71.41 H new ATOM 0 HB3 LEU A 31 -14.747 -7.044 9.190 1.00 71.41 H new ATOM 0 HG LEU A 31 -13.047 -5.205 8.549 1.00 43.50 H new ATOM 0 HD11 LEU A 31 -12.094 -5.437 6.318 1.00 71.21 H new ATOM 0 HD12 LEU A 31 -11.404 -6.597 7.478 1.00 71.21 H new ATOM 0 HD13 LEU A 31 -12.606 -7.141 6.284 1.00 71.21 H new ATOM 0 HD21 LEU A 31 -14.378 -4.652 6.565 1.00 30.41 H new ATOM 0 HD22 LEU A 31 -15.044 -6.302 6.566 1.00 30.41 H new ATOM 0 HD23 LEU A 31 -15.387 -5.204 7.923 1.00 30.41 H new ATOM 277 N VAL A 32 -10.440 -7.088 9.568 1.00 15.15 N ATOM 278 CA VAL A 32 -9.063 -7.447 9.300 1.00 2.14 C ATOM 279 C VAL A 32 -8.482 -8.299 10.461 1.00 71.50 C ATOM 280 O VAL A 32 -7.608 -9.143 10.253 1.00 23.55 O ATOM 281 CB VAL A 32 -8.188 -6.172 9.032 1.00 3.24 C ATOM 282 CG1 VAL A 32 -6.707 -6.503 9.000 1.00 33.52 C ATOM 283 CG2 VAL A 32 -8.578 -5.538 7.704 1.00 41.52 C ATOM 0 H VAL A 32 -10.585 -6.101 9.782 1.00 15.15 H new ATOM 0 HA VAL A 32 -9.040 -8.055 8.395 1.00 2.14 H new ATOM 0 HB VAL A 32 -8.372 -5.476 9.851 1.00 3.24 H new ATOM 0 HG11 VAL A 32 -6.135 -5.594 8.812 1.00 33.52 H new ATOM 0 HG12 VAL A 32 -6.408 -6.928 9.958 1.00 33.52 H new ATOM 0 HG13 VAL A 32 -6.513 -7.225 8.207 1.00 33.52 H new ATOM 0 HG21 VAL A 32 -7.964 -4.654 7.529 1.00 41.52 H new ATOM 0 HG22 VAL A 32 -8.420 -6.255 6.898 1.00 41.52 H new ATOM 0 HG23 VAL A 32 -9.629 -5.250 7.733 1.00 41.52 H new ATOM 293 N THR A 33 -9.029 -8.131 11.654 1.00 11.40 N ATOM 294 CA THR A 33 -8.534 -8.833 12.827 1.00 20.54 C ATOM 295 C THR A 33 -9.546 -9.881 13.269 1.00 2.23 C ATOM 296 O THR A 33 -9.482 -10.427 14.389 1.00 61.34 O ATOM 297 CB THR A 33 -8.253 -7.833 13.978 1.00 71.02 C ATOM 298 OG1 THR A 33 -9.413 -7.009 14.218 1.00 23.24 O ATOM 299 CG2 THR A 33 -7.066 -6.942 13.630 1.00 3.22 C ATOM 0 H THR A 33 -9.819 -7.512 11.836 1.00 11.40 H new ATOM 0 HA THR A 33 -7.599 -9.332 12.571 1.00 20.54 H new ATOM 0 HB THR A 33 -8.022 -8.404 14.877 1.00 71.02 H new ATOM 0 HG1 THR A 33 -9.340 -6.182 13.698 1.00 23.24 H new ATOM 0 HG21 THR A 33 -6.882 -6.246 14.448 1.00 3.22 H new ATOM 0 HG22 THR A 33 -6.182 -7.559 13.473 1.00 3.22 H new ATOM 0 HG23 THR A 33 -7.285 -6.383 12.720 1.00 3.22 H new ATOM 307 N LYS A 34 -10.470 -10.158 12.368 1.00 24.24 N ATOM 308 CA LYS A 34 -11.569 -11.065 12.602 1.00 33.42 C ATOM 309 C LYS A 34 -11.067 -12.481 12.882 1.00 2.23 C ATOM 310 O LYS A 34 -10.011 -12.904 12.368 1.00 5.25 O ATOM 311 CB LYS A 34 -12.508 -11.068 11.394 1.00 15.14 C ATOM 312 CG LYS A 34 -13.980 -11.283 11.727 1.00 30.14 C ATOM 313 CD LYS A 34 -14.518 -10.128 12.572 1.00 5.43 C ATOM 314 CE LYS A 34 -16.001 -10.261 12.831 1.00 41.11 C ATOM 315 NZ LYS A 34 -16.526 -9.159 13.669 1.00 62.44 N ATOM 0 H LYS A 34 -10.474 -9.748 11.434 1.00 24.24 H new ATOM 0 HA LYS A 34 -12.114 -10.721 13.481 1.00 33.42 H new ATOM 0 HB2 LYS A 34 -12.404 -10.119 10.869 1.00 15.14 H new ATOM 0 HB3 LYS A 34 -12.188 -11.850 10.705 1.00 15.14 H new ATOM 0 HG2 LYS A 34 -14.558 -11.366 10.806 1.00 30.14 H new ATOM 0 HG3 LYS A 34 -14.102 -12.222 12.266 1.00 30.14 H new ATOM 0 HD2 LYS A 34 -13.985 -10.095 13.522 1.00 5.43 H new ATOM 0 HD3 LYS A 34 -14.322 -9.184 12.063 1.00 5.43 H new ATOM 0 HE2 LYS A 34 -16.534 -10.277 11.880 1.00 41.11 H new ATOM 0 HE3 LYS A 34 -16.198 -11.214 13.323 1.00 41.11 H new ATOM 0 HZ1 LYS A 34 -17.479 -8.899 13.343 1.00 62.44 H new ATOM 0 HZ2 LYS A 34 -16.572 -9.469 14.661 1.00 62.44 H new ATOM 0 HZ3 LYS A 34 -15.897 -8.335 13.592 1.00 62.44 H new ATOM 329 N SER A 35 -11.821 -13.172 13.706 1.00 73.51 N ATOM 330 CA SER A 35 -11.557 -14.528 14.141 1.00 53.34 C ATOM 331 C SER A 35 -11.371 -15.521 12.969 1.00 23.34 C ATOM 332 O SER A 35 -11.870 -15.298 11.856 1.00 75.42 O ATOM 333 CB SER A 35 -12.761 -14.969 14.963 1.00 24.24 C ATOM 334 OG SER A 35 -13.957 -14.787 14.201 1.00 74.45 O ATOM 0 H SER A 35 -12.675 -12.788 14.111 1.00 73.51 H new ATOM 0 HA SER A 35 -10.626 -14.533 14.707 1.00 53.34 H new ATOM 0 HB2 SER A 35 -12.655 -16.016 15.248 1.00 24.24 H new ATOM 0 HB3 SER A 35 -12.815 -14.391 15.886 1.00 24.24 H new ATOM 0 HG SER A 35 -14.737 -14.920 14.780 1.00 74.45 H new ATOM 340 N PRO A 36 -10.696 -16.666 13.229 1.00 42.31 N ATOM 341 CA PRO A 36 -10.557 -17.749 12.250 1.00 64.45 C ATOM 342 C PRO A 36 -11.913 -18.439 11.987 1.00 53.42 C ATOM 343 O PRO A 36 -12.040 -19.289 11.108 1.00 2.33 O ATOM 344 CB PRO A 36 -9.554 -18.714 12.900 1.00 61.41 C ATOM 345 CG PRO A 36 -9.615 -18.425 14.356 1.00 54.41 C ATOM 346 CD PRO A 36 -9.978 -16.975 14.491 1.00 73.30 C ATOM 0 HA PRO A 36 -10.219 -17.393 11.277 1.00 64.45 H new ATOM 0 HB2 PRO A 36 -9.817 -19.752 12.694 1.00 61.41 H new ATOM 0 HB3 PRO A 36 -8.548 -18.557 12.510 1.00 61.41 H new ATOM 0 HG2 PRO A 36 -10.356 -19.057 14.846 1.00 54.41 H new ATOM 0 HG3 PRO A 36 -8.656 -18.630 14.832 1.00 54.41 H new ATOM 0 HD2 PRO A 36 -10.609 -16.801 15.362 1.00 73.30 H new ATOM 0 HD3 PRO A 36 -9.092 -16.351 14.609 1.00 73.30 H new ATOM 354 N ASP A 37 -12.915 -18.048 12.777 1.00 14.43 N ATOM 355 CA ASP A 37 -14.297 -18.511 12.623 1.00 4.32 C ATOM 356 C ASP A 37 -14.825 -18.117 11.238 1.00 14.15 C ATOM 357 O ASP A 37 -15.650 -18.814 10.649 1.00 63.22 O ATOM 358 CB ASP A 37 -15.159 -17.881 13.732 1.00 4.52 C ATOM 359 CG ASP A 37 -16.641 -18.132 13.591 1.00 71.25 C ATOM 360 OD1 ASP A 37 -17.350 -17.251 13.085 1.00 13.13 O ATOM 361 OD2 ASP A 37 -17.126 -19.197 14.013 1.00 13.23 O ATOM 0 H ASP A 37 -12.789 -17.394 13.550 1.00 14.43 H new ATOM 0 HA ASP A 37 -14.340 -19.597 12.709 1.00 4.32 H new ATOM 0 HB2 ASP A 37 -14.828 -18.267 14.696 1.00 4.52 H new ATOM 0 HB3 ASP A 37 -14.985 -16.805 13.743 1.00 4.52 H new ATOM 366 N SER A 38 -14.281 -17.043 10.705 1.00 23.24 N ATOM 367 CA SER A 38 -14.571 -16.622 9.361 1.00 74.11 C ATOM 368 C SER A 38 -13.405 -17.067 8.477 1.00 21.43 C ATOM 369 O SER A 38 -12.247 -17.036 8.939 1.00 55.01 O ATOM 370 CB SER A 38 -14.774 -15.099 9.320 1.00 63.22 C ATOM 371 OG SER A 38 -13.684 -14.413 9.927 1.00 51.42 O ATOM 0 H SER A 38 -13.623 -16.439 11.198 1.00 23.24 H new ATOM 0 HA SER A 38 -15.493 -17.073 8.995 1.00 74.11 H new ATOM 0 HB2 SER A 38 -14.881 -14.772 8.286 1.00 63.22 H new ATOM 0 HB3 SER A 38 -15.700 -14.840 9.833 1.00 63.22 H new ATOM 0 HG SER A 38 -13.841 -13.447 9.884 1.00 51.42 H new ATOM 377 N VAL A 39 -13.700 -17.481 7.239 1.00 53.34 N ATOM 378 CA VAL A 39 -12.696 -18.059 6.328 1.00 20.33 C ATOM 379 C VAL A 39 -11.426 -17.198 6.171 1.00 24.35 C ATOM 380 O VAL A 39 -10.310 -17.683 6.404 1.00 63.42 O ATOM 381 CB VAL A 39 -13.309 -18.455 4.927 1.00 25.04 C ATOM 382 CG1 VAL A 39 -13.873 -17.258 4.167 1.00 71.42 C ATOM 383 CG2 VAL A 39 -12.300 -19.213 4.071 1.00 40.55 C ATOM 0 H VAL A 39 -14.637 -17.427 6.839 1.00 53.34 H new ATOM 0 HA VAL A 39 -12.373 -18.979 6.815 1.00 20.33 H new ATOM 0 HB VAL A 39 -14.147 -19.118 5.140 1.00 25.04 H new ATOM 0 HG11 VAL A 39 -14.280 -17.592 3.213 1.00 71.42 H new ATOM 0 HG12 VAL A 39 -14.664 -16.793 4.756 1.00 71.42 H new ATOM 0 HG13 VAL A 39 -13.079 -16.533 3.989 1.00 71.42 H new ATOM 0 HG21 VAL A 39 -12.755 -19.470 3.114 1.00 40.55 H new ATOM 0 HG22 VAL A 39 -11.425 -18.587 3.900 1.00 40.55 H new ATOM 0 HG23 VAL A 39 -11.998 -20.125 4.586 1.00 40.55 H new ATOM 393 N ASN A 40 -11.598 -15.941 5.845 1.00 1.54 N ATOM 394 CA ASN A 40 -10.483 -15.042 5.594 1.00 4.42 C ATOM 395 C ASN A 40 -10.862 -13.620 5.942 1.00 62.12 C ATOM 396 O ASN A 40 -11.938 -13.154 5.571 1.00 0.22 O ATOM 397 CB ASN A 40 -10.046 -15.125 4.117 1.00 51.41 C ATOM 398 CG ASN A 40 -9.068 -16.254 3.814 1.00 22.31 C ATOM 399 OD1 ASN A 40 -8.284 -16.665 4.667 1.00 35.42 O ATOM 400 ND2 ASN A 40 -9.104 -16.764 2.603 1.00 25.43 N ATOM 0 H ASN A 40 -12.515 -15.505 5.744 1.00 1.54 H new ATOM 0 HA ASN A 40 -9.648 -15.347 6.225 1.00 4.42 H new ATOM 0 HB2 ASN A 40 -10.932 -15.251 3.495 1.00 51.41 H new ATOM 0 HB3 ASN A 40 -9.588 -14.178 3.832 1.00 51.41 H new ATOM 0 HD21 ASN A 40 -8.470 -17.522 2.350 1.00 25.43 H new ATOM 0 HD22 ASN A 40 -9.766 -16.402 1.917 1.00 25.43 H new ATOM 407 N SER A 41 -9.969 -12.921 6.597 1.00 70.40 N ATOM 408 CA SER A 41 -10.199 -11.558 7.030 1.00 23.05 C ATOM 409 C SER A 41 -10.277 -10.651 5.790 1.00 21.31 C ATOM 410 O SER A 41 -11.076 -9.704 5.709 1.00 21.22 O ATOM 411 CB SER A 41 -9.042 -11.153 7.944 1.00 41.15 C ATOM 412 OG SER A 41 -8.891 -12.108 9.008 1.00 72.43 O ATOM 0 H SER A 41 -9.050 -13.283 6.849 1.00 70.40 H new ATOM 0 HA SER A 41 -11.136 -11.464 7.579 1.00 23.05 H new ATOM 0 HB2 SER A 41 -8.119 -11.091 7.368 1.00 41.15 H new ATOM 0 HB3 SER A 41 -9.226 -10.162 8.359 1.00 41.15 H new ATOM 0 HG SER A 41 -8.146 -11.839 9.586 1.00 72.43 H new ATOM 418 N GLU A 42 -9.501 -11.020 4.798 1.00 0.02 N ATOM 419 CA GLU A 42 -9.467 -10.364 3.525 1.00 34.10 C ATOM 420 C GLU A 42 -10.743 -10.611 2.740 1.00 3.31 C ATOM 421 O GLU A 42 -11.076 -9.851 1.842 1.00 53.31 O ATOM 422 CB GLU A 42 -8.213 -10.727 2.706 1.00 15.23 C ATOM 423 CG GLU A 42 -7.868 -12.216 2.599 1.00 4.14 C ATOM 424 CD GLU A 42 -7.174 -12.756 3.834 1.00 42.32 C ATOM 425 OE1 GLU A 42 -5.958 -12.866 3.826 1.00 32.42 O ATOM 426 OE2 GLU A 42 -7.861 -13.045 4.833 1.00 12.32 O ATOM 0 H GLU A 42 -8.859 -11.810 4.863 1.00 0.02 H new ATOM 0 HA GLU A 42 -9.404 -9.294 3.725 1.00 34.10 H new ATOM 0 HB2 GLU A 42 -8.340 -10.334 1.697 1.00 15.23 H new ATOM 0 HB3 GLU A 42 -7.359 -10.211 3.144 1.00 15.23 H new ATOM 0 HG2 GLU A 42 -8.783 -12.783 2.426 1.00 4.14 H new ATOM 0 HG3 GLU A 42 -7.227 -12.373 1.731 1.00 4.14 H new ATOM 433 N HIS A 43 -11.471 -11.661 3.098 1.00 52.23 N ATOM 434 CA HIS A 43 -12.750 -11.958 2.443 1.00 33.54 C ATOM 435 C HIS A 43 -13.744 -10.889 2.867 1.00 23.31 C ATOM 436 O HIS A 43 -14.424 -10.265 2.032 1.00 31.13 O ATOM 437 CB HIS A 43 -13.258 -13.370 2.841 1.00 72.03 C ATOM 438 CG HIS A 43 -14.523 -13.836 2.154 1.00 51.34 C ATOM 439 ND1 HIS A 43 -14.566 -14.884 1.262 1.00 33.01 N ATOM 440 CD2 HIS A 43 -15.808 -13.409 2.284 1.00 64.03 C ATOM 441 CE1 HIS A 43 -15.832 -15.060 0.886 1.00 1.23 C ATOM 442 NE2 HIS A 43 -16.631 -14.186 1.479 1.00 31.53 N ATOM 0 H HIS A 43 -11.206 -12.319 3.831 1.00 52.23 H new ATOM 0 HA HIS A 43 -12.629 -11.954 1.360 1.00 33.54 H new ATOM 0 HB2 HIS A 43 -12.468 -14.091 2.632 1.00 72.03 H new ATOM 0 HB3 HIS A 43 -13.426 -13.384 3.918 1.00 72.03 H new ATOM 0 HD2 HIS A 43 -16.136 -12.595 2.913 1.00 64.03 H new ATOM 0 HE1 HIS A 43 -16.163 -15.816 0.189 1.00 1.23 H new ATOM 0 HE2 HIS A 43 -17.641 -14.101 1.368 1.00 31.53 H new ATOM 450 N GLU A 44 -13.762 -10.631 4.163 1.00 72.52 N ATOM 451 CA GLU A 44 -14.615 -9.640 4.737 1.00 50.12 C ATOM 452 C GLU A 44 -14.186 -8.277 4.249 1.00 74.23 C ATOM 453 O GLU A 44 -15.006 -7.406 4.012 1.00 51.12 O ATOM 454 CB GLU A 44 -14.518 -9.734 6.245 1.00 72.13 C ATOM 455 CG GLU A 44 -14.875 -11.113 6.772 1.00 3.10 C ATOM 456 CD GLU A 44 -16.344 -11.438 6.632 1.00 22.14 C ATOM 457 OE1 GLU A 44 -16.828 -11.628 5.499 1.00 44.50 O ATOM 458 OE2 GLU A 44 -17.052 -11.538 7.660 1.00 12.44 O ATOM 0 H GLU A 44 -13.174 -11.115 4.841 1.00 72.52 H new ATOM 0 HA GLU A 44 -15.651 -9.801 4.440 1.00 50.12 H new ATOM 0 HB2 GLU A 44 -13.504 -9.482 6.556 1.00 72.13 H new ATOM 0 HB3 GLU A 44 -15.182 -8.995 6.694 1.00 72.13 H new ATOM 0 HG2 GLU A 44 -14.291 -11.862 6.238 1.00 3.10 H new ATOM 0 HG3 GLU A 44 -14.593 -11.178 7.823 1.00 3.10 H new ATOM 465 N LEU A 45 -12.884 -8.117 4.054 1.00 11.22 N ATOM 466 CA LEU A 45 -12.355 -6.895 3.543 1.00 43.32 C ATOM 467 C LEU A 45 -12.811 -6.671 2.110 1.00 63.30 C ATOM 468 O LEU A 45 -13.194 -5.566 1.751 1.00 51.40 O ATOM 469 CB LEU A 45 -10.838 -6.874 3.634 1.00 61.32 C ATOM 470 CG LEU A 45 -10.197 -5.562 3.235 1.00 50.34 C ATOM 471 CD1 LEU A 45 -10.669 -4.453 4.140 1.00 44.43 C ATOM 472 CD2 LEU A 45 -8.685 -5.666 3.224 1.00 61.04 C ATOM 0 H LEU A 45 -12.184 -8.833 4.249 1.00 11.22 H new ATOM 0 HA LEU A 45 -12.738 -6.080 4.157 1.00 43.32 H new ATOM 0 HB2 LEU A 45 -10.546 -7.109 4.658 1.00 61.32 H new ATOM 0 HB3 LEU A 45 -10.439 -7.665 2.999 1.00 61.32 H new ATOM 0 HG LEU A 45 -10.507 -5.325 2.217 1.00 50.34 H new ATOM 0 HD11 LEU A 45 -10.200 -3.515 3.842 1.00 44.43 H new ATOM 0 HD12 LEU A 45 -11.752 -4.357 4.064 1.00 44.43 H new ATOM 0 HD13 LEU A 45 -10.397 -4.683 5.170 1.00 44.43 H new ATOM 0 HD21 LEU A 45 -8.256 -4.707 2.933 1.00 61.04 H new ATOM 0 HD22 LEU A 45 -8.332 -5.935 4.219 1.00 61.04 H new ATOM 0 HD23 LEU A 45 -8.378 -6.431 2.511 1.00 61.04 H new ATOM 484 N ALA A 46 -12.803 -7.731 1.312 1.00 51.32 N ATOM 485 CA ALA A 46 -13.242 -7.664 -0.076 1.00 21.33 C ATOM 486 C ALA A 46 -14.707 -7.280 -0.150 1.00 1.03 C ATOM 487 O ALA A 46 -15.131 -6.525 -1.036 1.00 44.21 O ATOM 488 CB ALA A 46 -12.993 -8.986 -0.792 1.00 14.50 C ATOM 0 H ALA A 46 -12.494 -8.657 1.607 1.00 51.32 H new ATOM 0 HA ALA A 46 -12.658 -6.895 -0.581 1.00 21.33 H new ATOM 0 HB1 ALA A 46 -13.330 -8.909 -1.826 1.00 14.50 H new ATOM 0 HB2 ALA A 46 -11.927 -9.215 -0.773 1.00 14.50 H new ATOM 0 HB3 ALA A 46 -13.544 -9.781 -0.290 1.00 14.50 H new ATOM 494 N HIS A 47 -15.456 -7.770 0.808 1.00 4.13 N ATOM 495 CA HIS A 47 -16.869 -7.459 0.909 1.00 53.01 C ATOM 496 C HIS A 47 -17.060 -6.010 1.392 1.00 32.14 C ATOM 497 O HIS A 47 -17.964 -5.301 0.935 1.00 11.34 O ATOM 498 CB HIS A 47 -17.570 -8.456 1.854 1.00 20.23 C ATOM 499 CG HIS A 47 -19.040 -8.201 2.049 1.00 2.33 C ATOM 500 ND1 HIS A 47 -19.590 -7.778 3.234 1.00 32.14 N ATOM 501 CD2 HIS A 47 -20.073 -8.322 1.182 1.00 54.54 C ATOM 502 CE1 HIS A 47 -20.902 -7.653 3.064 1.00 72.43 C ATOM 503 NE2 HIS A 47 -21.253 -7.971 1.832 1.00 25.32 N ATOM 0 H HIS A 47 -15.110 -8.393 1.538 1.00 4.13 H new ATOM 0 HA HIS A 47 -17.324 -7.552 -0.077 1.00 53.01 H new ATOM 0 HB2 HIS A 47 -17.438 -9.464 1.461 1.00 20.23 H new ATOM 0 HB3 HIS A 47 -17.077 -8.425 2.825 1.00 20.23 H new ATOM 0 HD2 HIS A 47 -19.994 -8.639 0.153 1.00 54.54 H new ATOM 0 HE1 HIS A 47 -21.590 -7.333 3.832 1.00 72.43 H new ATOM 0 HE2 HIS A 47 -22.194 -7.962 1.438 1.00 25.32 H new ATOM 511 N PHE A 48 -16.178 -5.571 2.276 1.00 15.54 N ATOM 512 CA PHE A 48 -16.226 -4.244 2.832 1.00 15.25 C ATOM 513 C PHE A 48 -15.901 -3.230 1.765 1.00 55.15 C ATOM 514 O PHE A 48 -16.567 -2.219 1.635 1.00 22.31 O ATOM 515 CB PHE A 48 -15.228 -4.144 3.996 1.00 63.41 C ATOM 516 CG PHE A 48 -15.095 -2.779 4.614 1.00 23.21 C ATOM 517 CD1 PHE A 48 -15.894 -2.397 5.672 1.00 43.22 C ATOM 518 CD2 PHE A 48 -14.163 -1.887 4.129 1.00 75.24 C ATOM 519 CE1 PHE A 48 -15.766 -1.145 6.235 1.00 3.50 C ATOM 520 CE2 PHE A 48 -14.027 -0.636 4.683 1.00 54.12 C ATOM 521 CZ PHE A 48 -14.829 -0.262 5.738 1.00 55.55 C ATOM 0 H PHE A 48 -15.405 -6.137 2.626 1.00 15.54 H new ATOM 0 HA PHE A 48 -17.228 -4.039 3.207 1.00 15.25 H new ATOM 0 HB2 PHE A 48 -15.528 -4.848 4.772 1.00 63.41 H new ATOM 0 HB3 PHE A 48 -14.248 -4.461 3.640 1.00 63.41 H new ATOM 0 HD1 PHE A 48 -16.628 -3.086 6.063 1.00 43.22 H new ATOM 0 HD2 PHE A 48 -13.531 -2.175 3.302 1.00 75.24 H new ATOM 0 HE1 PHE A 48 -16.397 -0.856 7.062 1.00 3.50 H new ATOM 0 HE2 PHE A 48 -13.292 0.052 4.291 1.00 54.12 H new ATOM 0 HZ PHE A 48 -14.725 0.720 6.175 1.00 55.55 H new ATOM 531 N LEU A 49 -14.898 -3.531 0.973 1.00 53.43 N ATOM 532 CA LEU A 49 -14.459 -2.624 -0.051 1.00 61.30 C ATOM 533 C LEU A 49 -15.387 -2.664 -1.261 1.00 42.42 C ATOM 534 O LEU A 49 -15.179 -1.938 -2.214 1.00 41.13 O ATOM 535 CB LEU A 49 -12.991 -2.893 -0.435 1.00 63.03 C ATOM 536 CG LEU A 49 -12.686 -4.221 -1.134 1.00 31.13 C ATOM 537 CD1 LEU A 49 -12.930 -4.146 -2.634 1.00 42.32 C ATOM 538 CD2 LEU A 49 -11.292 -4.677 -0.820 1.00 12.20 C ATOM 0 H LEU A 49 -14.371 -4.403 1.022 1.00 53.43 H new ATOM 0 HA LEU A 49 -14.506 -1.612 0.350 1.00 61.30 H new ATOM 0 HB2 LEU A 49 -12.657 -2.084 -1.085 1.00 63.03 H new ATOM 0 HB3 LEU A 49 -12.389 -2.842 0.472 1.00 63.03 H new ATOM 0 HG LEU A 49 -13.379 -4.966 -0.745 1.00 31.13 H new ATOM 0 HD11 LEU A 49 -12.701 -5.110 -3.089 1.00 42.32 H new ATOM 0 HD12 LEU A 49 -13.974 -3.896 -2.821 1.00 42.32 H new ATOM 0 HD13 LEU A 49 -12.290 -3.378 -3.069 1.00 42.32 H new ATOM 0 HD21 LEU A 49 -11.096 -5.622 -1.326 1.00 12.20 H new ATOM 0 HD22 LEU A 49 -10.578 -3.927 -1.161 1.00 12.20 H new ATOM 0 HD23 LEU A 49 -11.188 -4.814 0.256 1.00 12.20 H new ATOM 550 N GLY A 50 -16.394 -3.533 -1.199 1.00 24.31 N ATOM 551 CA GLY A 50 -17.401 -3.665 -2.253 1.00 41.10 C ATOM 552 C GLY A 50 -17.914 -2.314 -2.754 1.00 70.32 C ATOM 553 O GLY A 50 -17.687 -1.961 -3.922 1.00 42.14 O ATOM 0 H GLY A 50 -16.536 -4.168 -0.414 1.00 24.31 H new ATOM 0 HA2 GLY A 50 -16.975 -4.220 -3.089 1.00 41.10 H new ATOM 0 HA3 GLY A 50 -18.240 -4.250 -1.877 1.00 41.10 H new ATOM 557 N PRO A 51 -18.579 -1.515 -1.907 1.00 54.54 N ATOM 558 CA PRO A 51 -19.026 -0.193 -2.295 1.00 72.54 C ATOM 559 C PRO A 51 -17.902 0.857 -2.165 1.00 73.55 C ATOM 560 O PRO A 51 -18.021 1.976 -2.670 1.00 75.13 O ATOM 561 CB PRO A 51 -20.176 0.096 -1.327 1.00 32.22 C ATOM 562 CG PRO A 51 -19.865 -0.695 -0.098 1.00 44.21 C ATOM 563 CD PRO A 51 -19.000 -1.859 -0.524 1.00 33.55 C ATOM 0 HA PRO A 51 -19.329 -0.147 -3.341 1.00 72.54 H new ATOM 0 HB2 PRO A 51 -20.243 1.161 -1.103 1.00 32.22 H new ATOM 0 HB3 PRO A 51 -21.134 -0.201 -1.754 1.00 32.22 H new ATOM 0 HG2 PRO A 51 -19.346 -0.078 0.636 1.00 44.21 H new ATOM 0 HG3 PRO A 51 -20.781 -1.049 0.374 1.00 44.21 H new ATOM 0 HD2 PRO A 51 -18.140 -1.979 0.136 1.00 33.55 H new ATOM 0 HD3 PRO A 51 -19.554 -2.797 -0.498 1.00 33.55 H new ATOM 571 N HIS A 52 -16.777 0.461 -1.567 1.00 73.34 N ATOM 572 CA HIS A 52 -15.655 1.371 -1.342 1.00 1.21 C ATOM 573 C HIS A 52 -14.600 1.129 -2.408 1.00 62.34 C ATOM 574 O HIS A 52 -13.440 1.407 -2.190 1.00 40.12 O ATOM 575 CB HIS A 52 -15.014 1.170 0.051 1.00 35.34 C ATOM 576 CG HIS A 52 -15.883 1.474 1.245 1.00 13.01 C ATOM 577 ND1 HIS A 52 -15.702 2.568 2.067 1.00 14.41 N ATOM 578 CD2 HIS A 52 -16.898 0.771 1.795 1.00 14.42 C ATOM 579 CE1 HIS A 52 -16.581 2.493 3.063 1.00 11.22 C ATOM 580 NE2 HIS A 52 -17.336 1.419 2.947 1.00 12.24 N ATOM 0 H HIS A 52 -16.620 -0.488 -1.229 1.00 73.34 H new ATOM 0 HA HIS A 52 -16.037 2.391 -1.392 1.00 1.21 H new ATOM 0 HB2 HIS A 52 -14.681 0.135 0.127 1.00 35.34 H new ATOM 0 HB3 HIS A 52 -14.124 1.796 0.110 1.00 35.34 H new ATOM 0 HD2 HIS A 52 -17.305 -0.149 1.403 1.00 14.42 H new ATOM 0 HE1 HIS A 52 -16.665 3.216 3.861 1.00 11.22 H new ATOM 0 HE2 HIS A 52 -18.086 1.124 3.572 1.00 12.24 H new ATOM 588 N ASP A 53 -15.075 0.662 -3.571 1.00 61.15 N ATOM 589 CA ASP A 53 -14.322 0.301 -4.762 1.00 0.24 C ATOM 590 C ASP A 53 -13.380 1.446 -5.212 1.00 32.24 C ATOM 591 O ASP A 53 -13.827 2.452 -5.774 1.00 31.54 O ATOM 592 CB ASP A 53 -15.420 0.091 -5.837 1.00 31.21 C ATOM 593 CG ASP A 53 -15.009 -0.550 -7.129 1.00 2.42 C ATOM 594 OD1 ASP A 53 -15.473 -1.677 -7.387 1.00 4.12 O ATOM 595 OD2 ASP A 53 -14.250 0.035 -7.920 1.00 4.21 O ATOM 0 H ASP A 53 -16.076 0.519 -3.705 1.00 61.15 H new ATOM 0 HA ASP A 53 -13.690 -0.571 -4.593 1.00 0.24 H new ATOM 0 HB2 ASP A 53 -16.211 -0.516 -5.396 1.00 31.21 H new ATOM 0 HB3 ASP A 53 -15.856 1.063 -6.067 1.00 31.21 H new ATOM 600 N PRO A 54 -12.065 1.330 -4.881 1.00 25.43 N ATOM 601 CA PRO A 54 -11.055 2.317 -5.200 1.00 73.44 C ATOM 602 C PRO A 54 -10.007 1.776 -6.205 1.00 31.43 C ATOM 603 O PRO A 54 -10.280 0.848 -6.985 1.00 2.35 O ATOM 604 CB PRO A 54 -10.408 2.443 -3.820 1.00 42.21 C ATOM 605 CG PRO A 54 -10.387 1.021 -3.291 1.00 30.12 C ATOM 606 CD PRO A 54 -11.452 0.259 -4.074 1.00 31.04 C ATOM 0 HA PRO A 54 -11.441 3.229 -5.656 1.00 73.44 H new ATOM 0 HB2 PRO A 54 -9.402 2.858 -3.887 1.00 42.21 H new ATOM 0 HB3 PRO A 54 -10.982 3.102 -3.169 1.00 42.21 H new ATOM 0 HG2 PRO A 54 -9.405 0.569 -3.429 1.00 30.12 H new ATOM 0 HG3 PRO A 54 -10.600 1.000 -2.222 1.00 30.12 H new ATOM 0 HD2 PRO A 54 -11.019 -0.524 -4.697 1.00 31.04 H new ATOM 0 HD3 PRO A 54 -12.176 -0.221 -3.416 1.00 31.04 H new ATOM 614 N GLU A 55 -8.816 2.352 -6.172 1.00 42.23 N ATOM 615 CA GLU A 55 -7.720 1.906 -6.994 1.00 62.43 C ATOM 616 C GLU A 55 -6.899 0.935 -6.193 1.00 2.22 C ATOM 617 O GLU A 55 -6.474 1.244 -5.080 1.00 73.22 O ATOM 618 CB GLU A 55 -6.837 3.080 -7.450 1.00 11.21 C ATOM 619 CG GLU A 55 -7.490 4.081 -8.407 1.00 13.10 C ATOM 620 CD GLU A 55 -8.606 4.910 -7.792 1.00 11.23 C ATOM 621 OE1 GLU A 55 -8.371 5.579 -6.764 1.00 5.20 O ATOM 622 OE2 GLU A 55 -9.730 4.936 -8.356 1.00 32.13 O ATOM 0 H GLU A 55 -8.589 3.144 -5.570 1.00 42.23 H new ATOM 0 HA GLU A 55 -8.120 1.432 -7.891 1.00 62.43 H new ATOM 0 HB2 GLU A 55 -6.501 3.620 -6.565 1.00 11.21 H new ATOM 0 HB3 GLU A 55 -5.948 2.674 -7.932 1.00 11.21 H new ATOM 0 HG2 GLU A 55 -6.722 4.755 -8.787 1.00 13.10 H new ATOM 0 HG3 GLU A 55 -7.889 3.537 -9.264 1.00 13.10 H new ATOM 629 N ILE A 56 -6.721 -0.241 -6.706 1.00 4.31 N ATOM 630 CA ILE A 56 -5.940 -1.233 -6.022 1.00 71.45 C ATOM 631 C ILE A 56 -4.651 -1.433 -6.770 1.00 23.13 C ATOM 632 O ILE A 56 -4.650 -1.871 -7.863 1.00 21.55 O ATOM 633 CB ILE A 56 -6.717 -2.560 -5.938 1.00 43.20 C ATOM 634 CG1 ILE A 56 -8.006 -2.340 -5.147 1.00 42.21 C ATOM 635 CG2 ILE A 56 -5.859 -3.644 -5.291 1.00 33.14 C ATOM 636 CD1 ILE A 56 -9.010 -3.432 -5.309 1.00 2.41 C ATOM 0 H ILE A 56 -7.106 -0.543 -7.601 1.00 4.31 H new ATOM 0 HA ILE A 56 -5.729 -0.897 -5.007 1.00 71.45 H new ATOM 0 HB ILE A 56 -6.970 -2.895 -6.944 1.00 43.20 H new ATOM 0 HG12 ILE A 56 -7.759 -2.241 -4.090 1.00 42.21 H new ATOM 0 HG13 ILE A 56 -8.456 -1.397 -5.459 1.00 42.21 H new ATOM 0 HG21 ILE A 56 -6.425 -4.574 -5.240 1.00 33.14 H new ATOM 0 HG22 ILE A 56 -4.959 -3.799 -5.886 1.00 33.14 H new ATOM 0 HG23 ILE A 56 -5.580 -3.334 -4.284 1.00 33.14 H new ATOM 0 HD11 ILE A 56 -9.896 -3.202 -4.717 1.00 2.41 H new ATOM 0 HD12 ILE A 56 -9.288 -3.518 -6.360 1.00 2.41 H new ATOM 0 HD13 ILE A 56 -8.581 -4.374 -4.969 1.00 2.41 H new ATOM 648 N TYR A 57 -3.580 -1.068 -6.196 1.00 35.32 N ATOM 649 CA TYR A 57 -2.313 -1.232 -6.833 1.00 31.13 C ATOM 650 C TYR A 57 -1.704 -2.497 -6.366 1.00 13.15 C ATOM 651 O TYR A 57 -1.811 -2.831 -5.227 1.00 45.50 O ATOM 652 CB TYR A 57 -1.398 -0.057 -6.524 1.00 1.44 C ATOM 653 CG TYR A 57 -1.889 1.250 -7.082 1.00 31.15 C ATOM 654 CD1 TYR A 57 -2.812 2.021 -6.388 1.00 35.41 C ATOM 655 CD2 TYR A 57 -1.440 1.710 -8.307 1.00 72.11 C ATOM 656 CE1 TYR A 57 -3.271 3.210 -6.899 1.00 40.32 C ATOM 657 CE2 TYR A 57 -1.897 2.905 -8.825 1.00 63.44 C ATOM 658 CZ TYR A 57 -2.812 3.649 -8.115 1.00 64.04 C ATOM 659 OH TYR A 57 -3.266 4.846 -8.622 1.00 43.32 O ATOM 0 H TYR A 57 -3.540 -0.644 -5.269 1.00 35.32 H new ATOM 0 HA TYR A 57 -2.454 -1.268 -7.913 1.00 31.13 H new ATOM 0 HB2 TYR A 57 -1.292 0.036 -5.443 1.00 1.44 H new ATOM 0 HB3 TYR A 57 -0.406 -0.264 -6.925 1.00 1.44 H new ATOM 0 HD1 TYR A 57 -3.175 1.680 -5.430 1.00 35.41 H new ATOM 0 HD2 TYR A 57 -0.723 1.127 -8.865 1.00 72.11 H new ATOM 0 HE1 TYR A 57 -3.990 3.797 -6.346 1.00 40.32 H new ATOM 0 HE2 TYR A 57 -1.539 3.254 -9.782 1.00 63.44 H new ATOM 0 HH TYR A 57 -2.844 5.014 -9.490 1.00 43.32 H new ATOM 669 N VAL A 58 -1.119 -3.214 -7.248 1.00 44.51 N ATOM 670 CA VAL A 58 -0.425 -4.427 -6.920 1.00 72.52 C ATOM 671 C VAL A 58 0.902 -4.393 -7.597 1.00 54.53 C ATOM 672 O VAL A 58 0.978 -4.342 -8.822 1.00 64.31 O ATOM 673 CB VAL A 58 -1.220 -5.696 -7.325 1.00 34.24 C ATOM 674 CG1 VAL A 58 -0.363 -6.958 -7.213 1.00 2.51 C ATOM 675 CG2 VAL A 58 -2.427 -5.851 -6.441 1.00 63.21 C ATOM 0 H VAL A 58 -1.101 -2.981 -8.241 1.00 44.51 H new ATOM 0 HA VAL A 58 -0.304 -4.484 -5.838 1.00 72.52 H new ATOM 0 HB VAL A 58 -1.525 -5.572 -8.364 1.00 34.24 H new ATOM 0 HG11 VAL A 58 -0.954 -7.826 -7.505 1.00 2.51 H new ATOM 0 HG12 VAL A 58 0.502 -6.870 -7.871 1.00 2.51 H new ATOM 0 HG13 VAL A 58 -0.025 -7.078 -6.184 1.00 2.51 H new ATOM 0 HG21 VAL A 58 -2.979 -6.744 -6.733 1.00 63.21 H new ATOM 0 HG22 VAL A 58 -2.108 -5.944 -5.403 1.00 63.21 H new ATOM 0 HG23 VAL A 58 -3.070 -4.977 -6.546 1.00 63.21 H new ATOM 685 N ASN A 59 1.933 -4.303 -6.785 1.00 14.12 N ATOM 686 CA ASN A 59 3.344 -4.267 -7.213 1.00 72.22 C ATOM 687 C ASN A 59 3.632 -3.025 -8.045 1.00 10.44 C ATOM 688 O ASN A 59 4.641 -2.949 -8.745 1.00 73.45 O ATOM 689 CB ASN A 59 3.724 -5.535 -7.998 1.00 73.33 C ATOM 690 CG ASN A 59 3.577 -6.805 -7.186 1.00 15.41 C ATOM 691 OD1 ASN A 59 3.727 -6.805 -5.956 1.00 4.34 O ATOM 692 ND2 ASN A 59 3.267 -7.893 -7.853 1.00 50.40 N ATOM 0 H ASN A 59 1.825 -4.250 -5.772 1.00 14.12 H new ATOM 0 HA ASN A 59 3.956 -4.229 -6.312 1.00 72.22 H new ATOM 0 HB2 ASN A 59 3.098 -5.605 -8.887 1.00 73.33 H new ATOM 0 HB3 ASN A 59 4.755 -5.447 -8.340 1.00 73.33 H new ATOM 0 HD21 ASN A 59 3.142 -8.776 -7.358 1.00 50.40 H new ATOM 0 HD22 ASN A 59 3.151 -7.855 -8.866 1.00 50.40 H new ATOM 699 N GLY A 60 2.778 -2.028 -7.902 1.00 14.10 N ATOM 700 CA GLY A 60 2.926 -0.800 -8.646 1.00 12.32 C ATOM 701 C GLY A 60 2.039 -0.764 -9.876 1.00 24.43 C ATOM 702 O GLY A 60 2.072 0.185 -10.645 1.00 25.04 O ATOM 0 H GLY A 60 1.974 -2.049 -7.275 1.00 14.10 H new ATOM 0 HA2 GLY A 60 2.684 0.045 -8.001 1.00 12.32 H new ATOM 0 HA3 GLY A 60 3.967 -0.683 -8.947 1.00 12.32 H new ATOM 706 N LYS A 61 1.247 -1.799 -10.068 1.00 63.25 N ATOM 707 CA LYS A 61 0.366 -1.879 -11.204 1.00 3.22 C ATOM 708 C LYS A 61 -1.045 -1.689 -10.738 1.00 63.14 C ATOM 709 O LYS A 61 -1.456 -2.310 -9.763 1.00 5.41 O ATOM 710 CB LYS A 61 0.528 -3.225 -11.920 1.00 73.50 C ATOM 711 CG LYS A 61 1.937 -3.483 -12.449 1.00 64.23 C ATOM 712 CD LYS A 61 2.365 -2.429 -13.466 1.00 50.53 C ATOM 713 CE LYS A 61 1.517 -2.478 -14.723 1.00 64.45 C ATOM 714 NZ LYS A 61 1.923 -1.451 -15.707 1.00 73.33 N ATOM 0 H LYS A 61 1.199 -2.602 -9.441 1.00 63.25 H new ATOM 0 HA LYS A 61 0.619 -1.095 -11.918 1.00 3.22 H new ATOM 0 HB2 LYS A 61 0.257 -4.026 -11.232 1.00 73.50 H new ATOM 0 HB3 LYS A 61 -0.175 -3.269 -12.752 1.00 73.50 H new ATOM 0 HG2 LYS A 61 2.641 -3.492 -11.617 1.00 64.23 H new ATOM 0 HG3 LYS A 61 1.977 -4.470 -12.910 1.00 64.23 H new ATOM 0 HD2 LYS A 61 2.290 -1.439 -13.016 1.00 50.53 H new ATOM 0 HD3 LYS A 61 3.412 -2.582 -13.728 1.00 50.53 H new ATOM 0 HE2 LYS A 61 1.598 -3.466 -15.176 1.00 64.45 H new ATOM 0 HE3 LYS A 61 0.469 -2.333 -14.459 1.00 64.45 H new ATOM 0 HZ1 LYS A 61 1.318 -1.520 -16.550 1.00 73.33 H new ATOM 0 HZ2 LYS A 61 1.822 -0.506 -15.284 1.00 73.33 H new ATOM 0 HZ3 LYS A 61 2.915 -1.604 -15.979 1.00 73.33 H new ATOM 728 N ILE A 62 -1.773 -0.853 -11.418 1.00 71.22 N ATOM 729 CA ILE A 62 -3.115 -0.509 -11.012 1.00 24.05 C ATOM 730 C ILE A 62 -4.091 -1.642 -11.423 1.00 13.42 C ATOM 731 O ILE A 62 -4.078 -2.131 -12.560 1.00 63.44 O ATOM 732 CB ILE A 62 -3.523 0.917 -11.579 1.00 54.11 C ATOM 733 CG1 ILE A 62 -4.589 1.638 -10.707 1.00 2.31 C ATOM 734 CG2 ILE A 62 -3.964 0.866 -13.034 1.00 53.25 C ATOM 735 CD1 ILE A 62 -5.940 0.987 -10.624 1.00 3.45 C ATOM 0 H ILE A 62 -1.459 -0.388 -12.270 1.00 71.22 H new ATOM 0 HA ILE A 62 -3.167 -0.424 -9.927 1.00 24.05 H new ATOM 0 HB ILE A 62 -2.610 1.511 -11.530 1.00 54.11 H new ATOM 0 HG12 ILE A 62 -4.194 1.734 -9.696 1.00 2.31 H new ATOM 0 HG13 ILE A 62 -4.720 2.648 -11.095 1.00 2.31 H new ATOM 0 HG21 ILE A 62 -4.231 1.868 -13.369 1.00 53.25 H new ATOM 0 HG22 ILE A 62 -3.149 0.484 -13.648 1.00 53.25 H new ATOM 0 HG23 ILE A 62 -4.829 0.209 -13.129 1.00 53.25 H new ATOM 0 HD11 ILE A 62 -6.593 1.584 -9.988 1.00 3.45 H new ATOM 0 HD12 ILE A 62 -6.372 0.916 -11.622 1.00 3.45 H new ATOM 0 HD13 ILE A 62 -5.837 -0.012 -10.201 1.00 3.45 H new ATOM 747 N GLN A 63 -4.848 -2.091 -10.470 1.00 71.40 N ATOM 748 CA GLN A 63 -5.803 -3.159 -10.622 1.00 13.43 C ATOM 749 C GLN A 63 -7.147 -2.644 -10.117 1.00 4.12 C ATOM 750 O GLN A 63 -7.202 -1.773 -9.211 1.00 31.41 O ATOM 751 CB GLN A 63 -5.421 -4.357 -9.717 1.00 50.15 C ATOM 752 CG GLN A 63 -3.949 -4.746 -9.711 1.00 44.23 C ATOM 753 CD GLN A 63 -3.427 -5.245 -11.032 1.00 44.03 C ATOM 754 OE1 GLN A 63 -4.144 -5.849 -11.829 1.00 25.51 O ATOM 755 NE2 GLN A 63 -2.170 -4.997 -11.276 1.00 62.51 N ATOM 0 H GLN A 63 -4.821 -1.711 -9.524 1.00 71.40 H new ATOM 0 HA GLN A 63 -5.832 -3.472 -11.666 1.00 13.43 H new ATOM 0 HB2 GLN A 63 -5.719 -4.124 -8.695 1.00 50.15 H new ATOM 0 HB3 GLN A 63 -6.004 -5.223 -10.029 1.00 50.15 H new ATOM 0 HG2 GLN A 63 -3.360 -3.881 -9.406 1.00 44.23 H new ATOM 0 HG3 GLN A 63 -3.794 -5.519 -8.959 1.00 44.23 H new ATOM 0 HE21 GLN A 63 -1.607 -4.493 -10.591 1.00 62.51 H new ATOM 0 HE22 GLN A 63 -1.750 -5.307 -12.152 1.00 62.51 H new ATOM 764 N THR A 64 -8.202 -3.130 -10.681 1.00 61.12 N ATOM 765 CA THR A 64 -9.509 -2.803 -10.198 1.00 3.14 C ATOM 766 C THR A 64 -9.905 -3.799 -9.071 1.00 34.40 C ATOM 767 O THR A 64 -9.185 -4.784 -8.806 1.00 41.51 O ATOM 768 CB THR A 64 -10.564 -2.793 -11.364 1.00 5.04 C ATOM 769 OG1 THR A 64 -11.849 -2.344 -10.895 1.00 34.13 O ATOM 770 CG2 THR A 64 -10.716 -4.170 -11.988 1.00 64.14 C ATOM 0 H THR A 64 -8.188 -3.760 -11.483 1.00 61.12 H new ATOM 0 HA THR A 64 -9.495 -1.795 -9.784 1.00 3.14 H new ATOM 0 HB THR A 64 -10.193 -2.101 -12.120 1.00 5.04 H new ATOM 0 HG1 THR A 64 -12.487 -2.345 -11.639 1.00 34.13 H new ATOM 0 HG21 THR A 64 -11.453 -4.127 -12.790 1.00 64.14 H new ATOM 0 HG22 THR A 64 -9.757 -4.494 -12.393 1.00 64.14 H new ATOM 0 HG23 THR A 64 -11.047 -4.879 -11.229 1.00 64.14 H new ATOM 778 N THR A 65 -11.025 -3.539 -8.444 1.00 71.14 N ATOM 779 CA THR A 65 -11.581 -4.325 -7.346 1.00 20.24 C ATOM 780 C THR A 65 -11.875 -5.733 -7.799 1.00 43.34 C ATOM 781 O THR A 65 -11.621 -6.700 -7.081 1.00 10.34 O ATOM 782 CB THR A 65 -12.826 -3.584 -6.899 1.00 72.31 C ATOM 783 OG1 THR A 65 -13.572 -3.267 -8.073 1.00 72.23 O ATOM 784 CG2 THR A 65 -12.361 -2.311 -6.285 1.00 22.42 C ATOM 0 H THR A 65 -11.609 -2.739 -8.689 1.00 71.14 H new ATOM 0 HA THR A 65 -10.884 -4.427 -6.515 1.00 20.24 H new ATOM 0 HB THR A 65 -13.429 -4.166 -6.202 1.00 72.31 H new ATOM 0 HG1 THR A 65 -14.477 -2.987 -7.820 1.00 72.23 H new ATOM 0 HG21 THR A 65 -13.222 -1.736 -5.944 1.00 22.42 H new ATOM 0 HG22 THR A 65 -11.713 -2.532 -5.437 1.00 22.42 H new ATOM 0 HG23 THR A 65 -11.807 -1.732 -7.024 1.00 22.42 H new ATOM 792 N THR A 66 -12.349 -5.824 -9.012 1.00 35.40 N ATOM 793 CA THR A 66 -12.616 -7.082 -9.671 1.00 22.12 C ATOM 794 C THR A 66 -11.314 -7.931 -9.779 1.00 53.43 C ATOM 795 O THR A 66 -11.299 -9.117 -9.453 1.00 15.21 O ATOM 796 CB THR A 66 -13.172 -6.797 -11.072 1.00 3.25 C ATOM 797 OG1 THR A 66 -14.263 -5.860 -10.958 1.00 33.24 O ATOM 798 CG2 THR A 66 -13.659 -8.073 -11.736 1.00 4.33 C ATOM 0 H THR A 66 -12.567 -5.009 -9.586 1.00 35.40 H new ATOM 0 HA THR A 66 -13.344 -7.648 -9.089 1.00 22.12 H new ATOM 0 HB THR A 66 -12.377 -6.378 -11.689 1.00 3.25 H new ATOM 0 HG1 THR A 66 -14.625 -5.669 -11.849 1.00 33.24 H new ATOM 0 HG21 THR A 66 -14.048 -7.842 -12.728 1.00 4.33 H new ATOM 0 HG22 THR A 66 -12.830 -8.775 -11.826 1.00 4.33 H new ATOM 0 HG23 THR A 66 -14.449 -8.519 -11.132 1.00 4.33 H new ATOM 806 N ALA A 67 -10.232 -7.292 -10.209 1.00 35.21 N ATOM 807 CA ALA A 67 -8.930 -7.936 -10.349 1.00 73.12 C ATOM 808 C ALA A 67 -8.432 -8.397 -8.995 1.00 65.15 C ATOM 809 O ALA A 67 -7.997 -9.535 -8.848 1.00 42.31 O ATOM 810 CB ALA A 67 -7.930 -6.990 -10.997 1.00 34.34 C ATOM 0 H ALA A 67 -10.233 -6.307 -10.472 1.00 35.21 H new ATOM 0 HA ALA A 67 -9.038 -8.806 -10.996 1.00 73.12 H new ATOM 0 HB1 ALA A 67 -6.966 -7.489 -11.092 1.00 34.34 H new ATOM 0 HB2 ALA A 67 -8.289 -6.702 -11.985 1.00 34.34 H new ATOM 0 HB3 ALA A 67 -7.818 -6.100 -10.378 1.00 34.34 H new ATOM 816 N PHE A 68 -8.519 -7.506 -8.011 1.00 70.22 N ATOM 817 CA PHE A 68 -8.188 -7.813 -6.619 1.00 13.55 C ATOM 818 C PHE A 68 -8.913 -9.056 -6.169 1.00 70.54 C ATOM 819 O PHE A 68 -8.297 -10.002 -5.700 1.00 43.44 O ATOM 820 CB PHE A 68 -8.588 -6.639 -5.731 1.00 52.24 C ATOM 821 CG PHE A 68 -8.594 -6.903 -4.231 1.00 63.32 C ATOM 822 CD1 PHE A 68 -7.462 -6.726 -3.475 1.00 4.22 C ATOM 823 CD2 PHE A 68 -9.755 -7.333 -3.592 1.00 63.42 C ATOM 824 CE1 PHE A 68 -7.476 -6.974 -2.114 1.00 64.14 C ATOM 825 CE2 PHE A 68 -9.772 -7.581 -2.239 1.00 4.32 C ATOM 826 CZ PHE A 68 -8.630 -7.402 -1.499 1.00 65.24 C ATOM 0 H PHE A 68 -8.823 -6.543 -8.156 1.00 70.22 H new ATOM 0 HA PHE A 68 -7.114 -7.985 -6.541 1.00 13.55 H new ATOM 0 HB2 PHE A 68 -7.908 -5.811 -5.931 1.00 52.24 H new ATOM 0 HB3 PHE A 68 -9.585 -6.311 -6.025 1.00 52.24 H new ATOM 0 HD1 PHE A 68 -6.551 -6.390 -3.948 1.00 4.22 H new ATOM 0 HD2 PHE A 68 -10.657 -7.474 -4.169 1.00 63.42 H new ATOM 0 HE1 PHE A 68 -6.578 -6.831 -1.532 1.00 64.14 H new ATOM 0 HE2 PHE A 68 -10.681 -7.915 -1.761 1.00 4.32 H new ATOM 0 HZ PHE A 68 -8.637 -7.597 -0.437 1.00 65.24 H new ATOM 836 N LEU A 69 -10.225 -9.016 -6.304 1.00 44.34 N ATOM 837 CA LEU A 69 -11.111 -10.138 -5.956 1.00 41.30 C ATOM 838 C LEU A 69 -10.627 -11.444 -6.617 1.00 4.13 C ATOM 839 O LEU A 69 -10.555 -12.502 -5.965 1.00 10.41 O ATOM 840 CB LEU A 69 -12.583 -9.762 -6.326 1.00 74.04 C ATOM 841 CG LEU A 69 -13.756 -10.699 -5.913 1.00 12.01 C ATOM 842 CD1 LEU A 69 -13.788 -11.998 -6.706 1.00 72.12 C ATOM 843 CD2 LEU A 69 -13.729 -10.978 -4.417 1.00 20.10 C ATOM 0 H LEU A 69 -10.722 -8.200 -6.661 1.00 44.34 H new ATOM 0 HA LEU A 69 -11.081 -10.324 -4.882 1.00 41.30 H new ATOM 0 HB2 LEU A 69 -12.785 -8.782 -5.895 1.00 74.04 H new ATOM 0 HB3 LEU A 69 -12.625 -9.648 -7.409 1.00 74.04 H new ATOM 0 HG LEU A 69 -14.676 -10.166 -6.154 1.00 12.01 H new ATOM 0 HD11 LEU A 69 -14.628 -12.608 -6.372 1.00 72.12 H new ATOM 0 HD12 LEU A 69 -13.902 -11.774 -7.767 1.00 72.12 H new ATOM 0 HD13 LEU A 69 -12.858 -12.544 -6.548 1.00 72.12 H new ATOM 0 HD21 LEU A 69 -14.558 -11.635 -4.154 1.00 20.10 H new ATOM 0 HD22 LEU A 69 -12.787 -11.460 -4.154 1.00 20.10 H new ATOM 0 HD23 LEU A 69 -13.822 -10.040 -3.870 1.00 20.10 H new ATOM 855 N GLN A 70 -10.286 -11.360 -7.881 1.00 5.24 N ATOM 856 CA GLN A 70 -9.736 -12.463 -8.609 1.00 54.53 C ATOM 857 C GLN A 70 -8.438 -12.982 -7.968 1.00 64.21 C ATOM 858 O GLN A 70 -8.329 -14.169 -7.670 1.00 13.12 O ATOM 859 CB GLN A 70 -9.511 -12.075 -10.061 1.00 60.24 C ATOM 860 CG GLN A 70 -10.775 -11.932 -10.876 1.00 2.15 C ATOM 861 CD GLN A 70 -10.484 -11.632 -12.324 1.00 64.24 C ATOM 862 OE1 GLN A 70 -10.322 -12.546 -13.132 1.00 71.14 O ATOM 863 NE2 GLN A 70 -10.430 -10.377 -12.672 1.00 21.23 N ATOM 0 H GLN A 70 -10.387 -10.509 -8.434 1.00 5.24 H new ATOM 0 HA GLN A 70 -10.457 -13.280 -8.573 1.00 54.53 H new ATOM 0 HB2 GLN A 70 -8.966 -11.132 -10.091 1.00 60.24 H new ATOM 0 HB3 GLN A 70 -8.875 -12.826 -10.530 1.00 60.24 H new ATOM 0 HG2 GLN A 70 -11.357 -12.851 -10.806 1.00 2.15 H new ATOM 0 HG3 GLN A 70 -11.388 -11.134 -10.457 1.00 2.15 H new ATOM 0 HE21 GLN A 70 -10.570 -9.647 -11.973 1.00 21.23 H new ATOM 0 HE22 GLN A 70 -10.248 -10.124 -13.643 1.00 21.23 H new ATOM 872 N PHE A 71 -7.492 -12.088 -7.695 1.00 0.03 N ATOM 873 CA PHE A 71 -6.206 -12.492 -7.111 1.00 73.44 C ATOM 874 C PHE A 71 -6.421 -13.038 -5.706 1.00 62.52 C ATOM 875 O PHE A 71 -5.761 -13.977 -5.276 1.00 25.23 O ATOM 876 CB PHE A 71 -5.210 -11.328 -7.075 1.00 4.44 C ATOM 877 CG PHE A 71 -4.839 -10.761 -8.414 1.00 43.31 C ATOM 878 CD1 PHE A 71 -5.004 -9.414 -8.671 1.00 22.51 C ATOM 879 CD2 PHE A 71 -4.336 -11.574 -9.417 1.00 53.22 C ATOM 880 CE1 PHE A 71 -4.680 -8.882 -9.900 1.00 72.10 C ATOM 881 CE2 PHE A 71 -4.007 -11.051 -10.649 1.00 43.53 C ATOM 882 CZ PHE A 71 -4.181 -9.702 -10.893 1.00 61.21 C ATOM 0 H PHE A 71 -7.585 -11.087 -7.865 1.00 0.03 H new ATOM 0 HA PHE A 71 -5.783 -13.272 -7.744 1.00 73.44 H new ATOM 0 HB2 PHE A 71 -5.631 -10.529 -6.465 1.00 4.44 H new ATOM 0 HB3 PHE A 71 -4.301 -11.664 -6.577 1.00 4.44 H new ATOM 0 HD1 PHE A 71 -5.393 -8.768 -7.897 1.00 22.51 H new ATOM 0 HD2 PHE A 71 -4.200 -12.629 -9.231 1.00 53.22 H new ATOM 0 HE1 PHE A 71 -4.816 -7.827 -10.086 1.00 72.10 H new ATOM 0 HE2 PHE A 71 -3.614 -11.694 -11.422 1.00 43.53 H new ATOM 0 HZ PHE A 71 -3.927 -9.290 -11.858 1.00 61.21 H new ATOM 892 N PHE A 72 -7.362 -12.455 -5.013 1.00 71.32 N ATOM 893 CA PHE A 72 -7.760 -12.890 -3.699 1.00 63.51 C ATOM 894 C PHE A 72 -8.197 -14.347 -3.723 1.00 4.30 C ATOM 895 O PHE A 72 -7.635 -15.173 -3.003 1.00 54.20 O ATOM 896 CB PHE A 72 -8.866 -11.955 -3.154 1.00 40.13 C ATOM 897 CG PHE A 72 -9.794 -12.571 -2.147 1.00 44.12 C ATOM 898 CD1 PHE A 72 -9.425 -12.736 -0.828 1.00 0.44 C ATOM 899 CD2 PHE A 72 -11.050 -12.989 -2.546 1.00 43.41 C ATOM 900 CE1 PHE A 72 -10.301 -13.310 0.072 1.00 54.25 C ATOM 901 CE2 PHE A 72 -11.923 -13.560 -1.658 1.00 11.11 C ATOM 902 CZ PHE A 72 -11.549 -13.721 -0.347 1.00 55.43 C ATOM 0 H PHE A 72 -7.885 -11.648 -5.352 1.00 71.32 H new ATOM 0 HA PHE A 72 -6.908 -12.830 -3.022 1.00 63.51 H new ATOM 0 HB2 PHE A 72 -8.391 -11.085 -2.700 1.00 40.13 H new ATOM 0 HB3 PHE A 72 -9.458 -11.593 -3.994 1.00 40.13 H new ATOM 0 HD1 PHE A 72 -8.448 -12.415 -0.498 1.00 0.44 H new ATOM 0 HD2 PHE A 72 -11.348 -12.863 -3.576 1.00 43.41 H new ATOM 0 HE1 PHE A 72 -10.009 -13.437 1.104 1.00 54.25 H new ATOM 0 HE2 PHE A 72 -12.900 -13.882 -1.987 1.00 11.11 H new ATOM 0 HZ PHE A 72 -12.233 -14.170 0.357 1.00 55.43 H new ATOM 912 N ARG A 73 -9.126 -14.670 -4.606 1.00 60.23 N ATOM 913 CA ARG A 73 -9.662 -16.012 -4.664 1.00 45.13 C ATOM 914 C ARG A 73 -8.646 -16.989 -5.242 1.00 42.44 C ATOM 915 O ARG A 73 -8.720 -18.190 -5.000 1.00 32.33 O ATOM 916 CB ARG A 73 -11.004 -16.053 -5.398 1.00 23.12 C ATOM 917 CG ARG A 73 -10.960 -15.710 -6.876 1.00 62.54 C ATOM 918 CD ARG A 73 -12.361 -15.631 -7.427 1.00 44.42 C ATOM 919 NE ARG A 73 -12.405 -15.494 -8.882 1.00 23.24 N ATOM 920 CZ ARG A 73 -13.474 -15.818 -9.632 1.00 32.21 C ATOM 921 NH1 ARG A 73 -14.565 -16.340 -9.051 1.00 25.24 N ATOM 922 NH2 ARG A 73 -13.449 -15.626 -10.945 1.00 72.34 N ATOM 0 H ARG A 73 -9.521 -14.023 -5.288 1.00 60.23 H new ATOM 0 HA ARG A 73 -9.862 -16.336 -3.643 1.00 45.13 H new ATOM 0 HB2 ARG A 73 -11.426 -17.052 -5.289 1.00 23.12 H new ATOM 0 HB3 ARG A 73 -11.688 -15.362 -4.904 1.00 23.12 H new ATOM 0 HG2 ARG A 73 -10.448 -14.759 -7.022 1.00 62.54 H new ATOM 0 HG3 ARG A 73 -10.389 -16.465 -7.417 1.00 62.54 H new ATOM 0 HD2 ARG A 73 -12.909 -16.528 -7.137 1.00 44.42 H new ATOM 0 HD3 ARG A 73 -12.875 -14.783 -6.974 1.00 44.42 H new ATOM 0 HE ARG A 73 -11.577 -15.132 -9.356 1.00 23.24 H new ATOM 0 HH11 ARG A 73 -14.583 -16.491 -8.042 1.00 25.24 H new ATOM 0 HH12 ARG A 73 -15.376 -16.586 -9.618 1.00 25.24 H new ATOM 0 HH21 ARG A 73 -12.618 -15.232 -11.387 1.00 72.34 H new ATOM 0 HH22 ARG A 73 -14.260 -15.872 -11.512 1.00 72.34 H new ATOM 936 N GLN A 74 -7.684 -16.461 -5.991 1.00 61.25 N ATOM 937 CA GLN A 74 -6.594 -17.268 -6.493 1.00 24.44 C ATOM 938 C GLN A 74 -5.568 -17.578 -5.416 1.00 35.14 C ATOM 939 O GLN A 74 -4.678 -18.403 -5.617 1.00 12.10 O ATOM 940 CB GLN A 74 -5.929 -16.606 -7.664 1.00 52.23 C ATOM 941 CG GLN A 74 -6.812 -16.544 -8.862 1.00 61.31 C ATOM 942 CD GLN A 74 -7.205 -17.902 -9.407 1.00 24.53 C ATOM 943 OE1 GLN A 74 -8.300 -18.059 -9.934 1.00 63.21 O ATOM 944 NE2 GLN A 74 -6.313 -18.859 -9.357 1.00 50.53 N ATOM 0 H GLN A 74 -7.643 -15.478 -6.260 1.00 61.25 H new ATOM 0 HA GLN A 74 -7.027 -18.213 -6.820 1.00 24.44 H new ATOM 0 HB2 GLN A 74 -5.630 -15.596 -7.384 1.00 52.23 H new ATOM 0 HB3 GLN A 74 -5.018 -17.150 -7.916 1.00 52.23 H new ATOM 0 HG2 GLN A 74 -7.716 -15.991 -8.607 1.00 61.31 H new ATOM 0 HG3 GLN A 74 -6.305 -15.982 -9.646 1.00 61.31 H new ATOM 0 HE21 GLN A 74 -5.411 -18.693 -8.910 1.00 50.53 H new ATOM 0 HE22 GLN A 74 -6.520 -19.771 -9.765 1.00 50.53 H new ATOM 953 N GLY A 75 -5.675 -16.909 -4.285 1.00 1.53 N ATOM 954 CA GLY A 75 -4.786 -17.183 -3.201 1.00 65.14 C ATOM 955 C GLY A 75 -3.599 -16.258 -3.163 1.00 32.51 C ATOM 956 O GLY A 75 -2.535 -16.627 -2.677 1.00 30.12 O ATOM 0 H GLY A 75 -6.366 -16.180 -4.105 1.00 1.53 H new ATOM 0 HA2 GLY A 75 -5.332 -17.102 -2.261 1.00 65.14 H new ATOM 0 HA3 GLY A 75 -4.435 -18.212 -3.278 1.00 65.14 H new ATOM 960 N LEU A 76 -3.764 -15.070 -3.684 1.00 61.53 N ATOM 961 CA LEU A 76 -2.701 -14.071 -3.646 1.00 73.51 C ATOM 962 C LEU A 76 -2.739 -13.297 -2.338 1.00 74.30 C ATOM 963 O LEU A 76 -1.757 -13.237 -1.610 1.00 43.10 O ATOM 964 CB LEU A 76 -2.802 -13.073 -4.828 1.00 31.42 C ATOM 965 CG LEU A 76 -2.333 -13.515 -6.241 1.00 22.13 C ATOM 966 CD1 LEU A 76 -0.844 -13.739 -6.283 1.00 15.33 C ATOM 967 CD2 LEU A 76 -3.047 -14.756 -6.737 1.00 15.15 C ATOM 0 H LEU A 76 -4.621 -14.760 -4.142 1.00 61.53 H new ATOM 0 HA LEU A 76 -1.758 -14.611 -3.729 1.00 73.51 H new ATOM 0 HB2 LEU A 76 -3.845 -12.768 -4.910 1.00 31.42 H new ATOM 0 HB3 LEU A 76 -2.231 -12.185 -4.556 1.00 31.42 H new ATOM 0 HG LEU A 76 -2.592 -12.693 -6.908 1.00 22.13 H new ATOM 0 HD11 LEU A 76 -0.551 -14.047 -7.286 1.00 15.33 H new ATOM 0 HD12 LEU A 76 -0.329 -12.814 -6.023 1.00 15.33 H new ATOM 0 HD13 LEU A 76 -0.573 -14.518 -5.570 1.00 15.33 H new ATOM 0 HD21 LEU A 76 -2.677 -15.016 -7.729 1.00 15.15 H new ATOM 0 HD22 LEU A 76 -2.859 -15.582 -6.051 1.00 15.15 H new ATOM 0 HD23 LEU A 76 -4.119 -14.563 -6.788 1.00 15.15 H new ATOM 979 N PHE A 77 -3.898 -12.748 -2.014 1.00 74.23 N ATOM 980 CA PHE A 77 -4.012 -11.858 -0.855 1.00 11.53 C ATOM 981 C PHE A 77 -4.389 -12.582 0.415 1.00 40.24 C ATOM 982 O PHE A 77 -4.562 -11.956 1.434 1.00 71.44 O ATOM 983 CB PHE A 77 -4.994 -10.722 -1.127 1.00 21.54 C ATOM 984 CG PHE A 77 -4.655 -9.941 -2.350 1.00 12.00 C ATOM 985 CD1 PHE A 77 -5.565 -9.817 -3.370 1.00 64.12 C ATOM 986 CD2 PHE A 77 -3.410 -9.349 -2.492 1.00 41.14 C ATOM 987 CE1 PHE A 77 -5.254 -9.123 -4.506 1.00 60.45 C ATOM 988 CE2 PHE A 77 -3.094 -8.649 -3.632 1.00 33.23 C ATOM 989 CZ PHE A 77 -4.022 -8.539 -4.642 1.00 23.40 C ATOM 0 H PHE A 77 -4.768 -12.896 -2.526 1.00 74.23 H new ATOM 0 HA PHE A 77 -3.017 -11.440 -0.699 1.00 11.53 H new ATOM 0 HB2 PHE A 77 -5.998 -11.134 -1.232 1.00 21.54 H new ATOM 0 HB3 PHE A 77 -5.013 -10.052 -0.268 1.00 21.54 H new ATOM 0 HD1 PHE A 77 -6.539 -10.273 -3.274 1.00 64.12 H new ATOM 0 HD2 PHE A 77 -2.681 -9.438 -1.700 1.00 41.14 H new ATOM 0 HE1 PHE A 77 -5.982 -9.035 -5.299 1.00 60.45 H new ATOM 0 HE2 PHE A 77 -2.123 -8.188 -3.734 1.00 33.23 H new ATOM 0 HZ PHE A 77 -3.779 -7.993 -5.541 1.00 23.40 H new ATOM 999 N LYS A 78 -4.434 -13.908 0.355 1.00 72.51 N ATOM 1000 CA LYS A 78 -4.786 -14.748 1.514 1.00 64.14 C ATOM 1001 C LYS A 78 -3.780 -14.636 2.674 1.00 62.15 C ATOM 1002 O LYS A 78 -4.002 -15.154 3.764 1.00 65.22 O ATOM 1003 CB LYS A 78 -5.124 -16.218 1.117 1.00 22.31 C ATOM 1004 CG LYS A 78 -4.088 -16.970 0.263 1.00 63.54 C ATOM 1005 CD LYS A 78 -2.794 -17.280 1.009 1.00 45.53 C ATOM 1006 CE LYS A 78 -1.799 -18.035 0.128 1.00 31.03 C ATOM 1007 NZ LYS A 78 -2.308 -19.356 -0.321 1.00 62.22 N ATOM 0 H LYS A 78 -4.230 -14.438 -0.492 1.00 72.51 H new ATOM 0 HA LYS A 78 -5.715 -14.336 1.909 1.00 64.14 H new ATOM 0 HB2 LYS A 78 -5.285 -16.787 2.033 1.00 22.31 H new ATOM 0 HB3 LYS A 78 -6.070 -16.213 0.575 1.00 22.31 H new ATOM 0 HG2 LYS A 78 -4.528 -17.903 -0.089 1.00 63.54 H new ATOM 0 HG3 LYS A 78 -3.855 -16.374 -0.620 1.00 63.54 H new ATOM 0 HD2 LYS A 78 -2.342 -16.350 1.354 1.00 45.53 H new ATOM 0 HD3 LYS A 78 -3.018 -17.874 1.895 1.00 45.53 H new ATOM 0 HE2 LYS A 78 -1.561 -17.427 -0.745 1.00 31.03 H new ATOM 0 HE3 LYS A 78 -0.870 -18.178 0.679 1.00 31.03 H new ATOM 0 HZ1 LYS A 78 -1.537 -19.892 -0.768 1.00 62.22 H new ATOM 0 HZ2 LYS A 78 -2.668 -19.886 0.498 1.00 62.22 H new ATOM 0 HZ3 LYS A 78 -3.076 -19.217 -1.008 1.00 62.22 H new ATOM 1021 N LYS A 79 -2.638 -14.021 2.398 1.00 1.02 N ATOM 1022 CA LYS A 79 -1.619 -13.824 3.415 1.00 31.34 C ATOM 1023 C LYS A 79 -2.010 -12.699 4.383 1.00 10.54 C ATOM 1024 O LYS A 79 -1.384 -12.541 5.431 1.00 63.43 O ATOM 1025 CB LYS A 79 -0.256 -13.468 2.813 1.00 51.32 C ATOM 1026 CG LYS A 79 0.300 -14.416 1.764 1.00 51.44 C ATOM 1027 CD LYS A 79 1.742 -14.033 1.458 1.00 42.23 C ATOM 1028 CE LYS A 79 2.340 -14.839 0.328 1.00 41.52 C ATOM 1029 NZ LYS A 79 3.795 -14.594 0.206 1.00 65.42 N ATOM 0 H LYS A 79 -2.396 -13.651 1.479 1.00 1.02 H new ATOM 0 HA LYS A 79 -1.543 -14.774 3.944 1.00 31.34 H new ATOM 0 HB2 LYS A 79 -0.330 -12.476 2.368 1.00 51.32 H new ATOM 0 HB3 LYS A 79 0.467 -13.400 3.626 1.00 51.32 H new ATOM 0 HG2 LYS A 79 0.252 -15.444 2.124 1.00 51.44 H new ATOM 0 HG3 LYS A 79 -0.302 -14.368 0.857 1.00 51.44 H new ATOM 0 HD2 LYS A 79 1.785 -12.974 1.204 1.00 42.23 H new ATOM 0 HD3 LYS A 79 2.347 -14.170 2.354 1.00 42.23 H new ATOM 0 HE2 LYS A 79 2.161 -15.900 0.500 1.00 41.52 H new ATOM 0 HE3 LYS A 79 1.845 -14.580 -0.608 1.00 41.52 H new ATOM 0 HZ1 LYS A 79 4.041 -14.455 -0.795 1.00 65.42 H new ATOM 0 HZ2 LYS A 79 4.050 -13.743 0.746 1.00 65.42 H new ATOM 0 HZ3 LYS A 79 4.317 -15.411 0.581 1.00 65.42 H new ATOM 1043 N LEU A 80 -3.047 -11.935 4.046 1.00 1.14 N ATOM 1044 CA LEU A 80 -3.464 -10.791 4.854 1.00 61.51 C ATOM 1045 C LEU A 80 -4.058 -11.291 6.167 1.00 72.24 C ATOM 1046 O LEU A 80 -4.004 -10.614 7.203 1.00 65.04 O ATOM 1047 CB LEU A 80 -4.452 -9.907 4.034 1.00 3.33 C ATOM 1048 CG LEU A 80 -4.938 -8.562 4.638 1.00 51.44 C ATOM 1049 CD1 LEU A 80 -5.445 -7.666 3.522 1.00 22.53 C ATOM 1050 CD2 LEU A 80 -6.073 -8.770 5.641 1.00 20.41 C ATOM 0 H LEU A 80 -3.617 -12.089 3.214 1.00 1.14 H new ATOM 0 HA LEU A 80 -2.610 -10.162 5.106 1.00 61.51 H new ATOM 0 HB2 LEU A 80 -3.979 -9.686 3.077 1.00 3.33 H new ATOM 0 HB3 LEU A 80 -5.335 -10.510 3.822 1.00 3.33 H new ATOM 0 HG LEU A 80 -4.094 -8.106 5.156 1.00 51.44 H new ATOM 0 HD11 LEU A 80 -5.787 -6.720 3.942 1.00 22.53 H new ATOM 0 HD12 LEU A 80 -4.639 -7.478 2.812 1.00 22.53 H new ATOM 0 HD13 LEU A 80 -6.273 -8.156 3.009 1.00 22.53 H new ATOM 0 HD21 LEU A 80 -6.386 -7.806 6.042 1.00 20.41 H new ATOM 0 HD22 LEU A 80 -6.917 -9.246 5.142 1.00 20.41 H new ATOM 0 HD23 LEU A 80 -5.727 -9.406 6.455 1.00 20.41 H new ATOM 1062 N LYS A 81 -4.557 -12.495 6.117 1.00 35.34 N ATOM 1063 CA LYS A 81 -5.149 -13.186 7.243 1.00 30.12 C ATOM 1064 C LYS A 81 -4.087 -13.394 8.332 1.00 20.30 C ATOM 1065 O LYS A 81 -4.385 -13.372 9.522 1.00 35.33 O ATOM 1066 CB LYS A 81 -5.683 -14.543 6.735 1.00 42.34 C ATOM 1067 CG LYS A 81 -6.954 -15.090 7.392 1.00 32.14 C ATOM 1068 CD LYS A 81 -6.796 -15.462 8.851 1.00 70.23 C ATOM 1069 CE LYS A 81 -8.081 -16.090 9.377 1.00 41.32 C ATOM 1070 NZ LYS A 81 -8.417 -17.349 8.659 1.00 15.32 N ATOM 0 H LYS A 81 -4.566 -13.048 5.260 1.00 35.34 H new ATOM 0 HA LYS A 81 -5.965 -12.605 7.673 1.00 30.12 H new ATOM 0 HB2 LYS A 81 -5.869 -14.453 5.665 1.00 42.34 H new ATOM 0 HB3 LYS A 81 -4.893 -15.284 6.860 1.00 42.34 H new ATOM 0 HG2 LYS A 81 -7.744 -14.344 7.304 1.00 32.14 H new ATOM 0 HG3 LYS A 81 -7.284 -15.970 6.839 1.00 32.14 H new ATOM 0 HD2 LYS A 81 -5.967 -16.160 8.968 1.00 70.23 H new ATOM 0 HD3 LYS A 81 -6.551 -14.575 9.435 1.00 70.23 H new ATOM 0 HE2 LYS A 81 -7.975 -16.297 10.442 1.00 41.32 H new ATOM 0 HE3 LYS A 81 -8.902 -15.381 9.270 1.00 41.32 H new ATOM 0 HZ1 LYS A 81 -8.824 -18.033 9.329 1.00 15.32 H new ATOM 0 HZ2 LYS A 81 -9.108 -17.147 7.908 1.00 15.32 H new ATOM 0 HZ3 LYS A 81 -7.555 -17.749 8.237 1.00 15.32 H new ATOM 1084 N ASP A 82 -2.855 -13.580 7.908 1.00 73.23 N ATOM 1085 CA ASP A 82 -1.747 -13.826 8.823 1.00 4.30 C ATOM 1086 C ASP A 82 -0.857 -12.575 8.939 1.00 41.53 C ATOM 1087 O ASP A 82 0.163 -12.570 9.628 1.00 42.02 O ATOM 1088 CB ASP A 82 -0.938 -15.048 8.325 1.00 12.45 C ATOM 1089 CG ASP A 82 0.111 -15.541 9.307 1.00 51.33 C ATOM 1090 OD1 ASP A 82 -0.266 -16.057 10.378 1.00 4.31 O ATOM 1091 OD2 ASP A 82 1.323 -15.477 9.012 1.00 65.12 O ATOM 0 H ASP A 82 -2.588 -13.566 6.924 1.00 73.23 H new ATOM 0 HA ASP A 82 -2.135 -14.044 9.818 1.00 4.30 H new ATOM 0 HB2 ASP A 82 -1.628 -15.863 8.108 1.00 12.45 H new ATOM 0 HB3 ASP A 82 -0.448 -14.788 7.387 1.00 12.45 H new ATOM 1096 N ALA A 83 -1.274 -11.501 8.300 1.00 33.33 N ATOM 1097 CA ALA A 83 -0.448 -10.293 8.226 1.00 73.33 C ATOM 1098 C ALA A 83 -0.512 -9.459 9.500 1.00 40.24 C ATOM 1099 O ALA A 83 -1.547 -9.393 10.170 1.00 64.13 O ATOM 1100 CB ALA A 83 -0.804 -9.458 7.009 1.00 43.54 C ATOM 0 H ALA A 83 -2.173 -11.431 7.824 1.00 33.33 H new ATOM 0 HA ALA A 83 0.584 -10.628 8.122 1.00 73.33 H new ATOM 0 HB1 ALA A 83 -0.175 -8.569 6.981 1.00 43.54 H new ATOM 0 HB2 ALA A 83 -0.642 -10.045 6.105 1.00 43.54 H new ATOM 0 HB3 ALA A 83 -1.851 -9.160 7.066 1.00 43.54 H new ATOM 1106 N GLU A 84 0.591 -8.831 9.825 1.00 52.45 N ATOM 1107 CA GLU A 84 0.709 -8.025 11.023 1.00 24.15 C ATOM 1108 C GLU A 84 0.615 -6.554 10.650 1.00 4.42 C ATOM 1109 O GLU A 84 1.262 -6.110 9.704 1.00 12.11 O ATOM 1110 CB GLU A 84 2.035 -8.335 11.707 1.00 73.12 C ATOM 1111 CG GLU A 84 2.205 -9.816 12.000 1.00 15.31 C ATOM 1112 CD GLU A 84 3.522 -10.149 12.624 1.00 40.13 C ATOM 1113 OE1 GLU A 84 3.568 -10.387 13.856 1.00 72.22 O ATOM 1114 OE2 GLU A 84 4.535 -10.192 11.904 1.00 62.15 O ATOM 0 H GLU A 84 1.442 -8.863 9.263 1.00 52.45 H new ATOM 0 HA GLU A 84 -0.100 -8.256 11.716 1.00 24.15 H new ATOM 0 HB2 GLU A 84 2.855 -7.997 11.074 1.00 73.12 H new ATOM 0 HB3 GLU A 84 2.100 -7.774 12.639 1.00 73.12 H new ATOM 0 HG2 GLU A 84 1.404 -10.142 12.663 1.00 15.31 H new ATOM 0 HG3 GLU A 84 2.099 -10.377 11.072 1.00 15.31 H new ATOM 1121 N PHE A 85 -0.172 -5.808 11.386 1.00 41.05 N ATOM 1122 CA PHE A 85 -0.449 -4.421 11.042 1.00 2.24 C ATOM 1123 C PHE A 85 0.543 -3.442 11.648 1.00 52.22 C ATOM 1124 O PHE A 85 1.156 -3.708 12.687 1.00 3.32 O ATOM 1125 CB PHE A 85 -1.899 -4.025 11.413 1.00 11.22 C ATOM 1126 CG PHE A 85 -2.270 -4.186 12.873 1.00 2.13 C ATOM 1127 CD1 PHE A 85 -2.724 -5.405 13.357 1.00 42.32 C ATOM 1128 CD2 PHE A 85 -2.186 -3.116 13.751 1.00 40.54 C ATOM 1129 CE1 PHE A 85 -3.082 -5.554 14.683 1.00 45.44 C ATOM 1130 CE2 PHE A 85 -2.541 -3.262 15.078 1.00 23.43 C ATOM 1131 CZ PHE A 85 -2.990 -4.482 15.544 1.00 63.31 C ATOM 0 H PHE A 85 -0.638 -6.134 12.233 1.00 41.05 H new ATOM 0 HA PHE A 85 -0.333 -4.356 9.960 1.00 2.24 H new ATOM 0 HB2 PHE A 85 -2.056 -2.984 11.130 1.00 11.22 H new ATOM 0 HB3 PHE A 85 -2.585 -4.625 10.814 1.00 11.22 H new ATOM 0 HD1 PHE A 85 -2.798 -6.249 12.687 1.00 42.32 H new ATOM 0 HD2 PHE A 85 -1.839 -2.158 13.393 1.00 40.54 H new ATOM 0 HE1 PHE A 85 -3.433 -6.509 15.044 1.00 45.44 H new ATOM 0 HE2 PHE A 85 -2.467 -2.421 15.752 1.00 23.43 H new ATOM 0 HZ PHE A 85 -3.269 -4.596 16.581 1.00 63.31 H new ATOM 1141 N ALA A 86 0.715 -2.341 10.964 1.00 73.12 N ATOM 1142 CA ALA A 86 1.518 -1.236 11.406 1.00 12.33 C ATOM 1143 C ALA A 86 0.818 0.052 10.989 1.00 3.23 C ATOM 1144 O ALA A 86 0.325 0.164 9.847 1.00 25.25 O ATOM 1145 CB ALA A 86 2.915 -1.309 10.797 1.00 44.42 C ATOM 0 H ALA A 86 0.284 -2.186 10.053 1.00 73.12 H new ATOM 0 HA ALA A 86 1.632 -1.266 12.490 1.00 12.33 H new ATOM 0 HB1 ALA A 86 3.508 -0.463 11.144 1.00 44.42 H new ATOM 0 HB2 ALA A 86 3.396 -2.239 11.101 1.00 44.42 H new ATOM 0 HB3 ALA A 86 2.840 -1.278 9.710 1.00 44.42 H new ATOM 1151 N ILE A 87 0.749 0.995 11.889 1.00 42.25 N ATOM 1152 CA ILE A 87 0.087 2.253 11.628 1.00 61.42 C ATOM 1153 C ILE A 87 1.132 3.321 11.330 1.00 23.02 C ATOM 1154 O ILE A 87 2.144 3.417 12.020 1.00 74.03 O ATOM 1155 CB ILE A 87 -0.843 2.685 12.823 1.00 43.12 C ATOM 1156 CG1 ILE A 87 -1.534 4.033 12.529 1.00 35.43 C ATOM 1157 CG2 ILE A 87 -0.077 2.733 14.151 1.00 43.41 C ATOM 1158 CD1 ILE A 87 -2.501 4.490 13.603 1.00 14.03 C ATOM 0 H ILE A 87 1.148 0.917 12.824 1.00 42.25 H new ATOM 0 HA ILE A 87 -0.559 2.130 10.759 1.00 61.42 H new ATOM 0 HB ILE A 87 -1.617 1.925 12.924 1.00 43.12 H new ATOM 0 HG12 ILE A 87 -0.769 4.798 12.397 1.00 35.43 H new ATOM 0 HG13 ILE A 87 -2.071 3.953 11.584 1.00 35.43 H new ATOM 0 HG21 ILE A 87 -0.753 3.035 14.951 1.00 43.41 H new ATOM 0 HG22 ILE A 87 0.329 1.746 14.373 1.00 43.41 H new ATOM 0 HG23 ILE A 87 0.739 3.452 14.075 1.00 43.41 H new ATOM 0 HD11 ILE A 87 -2.940 5.445 13.315 1.00 14.03 H new ATOM 0 HD12 ILE A 87 -3.291 3.748 13.721 1.00 14.03 H new ATOM 0 HD13 ILE A 87 -1.968 4.606 14.547 1.00 14.03 H new ATOM 1170 N ASN A 88 0.926 4.085 10.291 1.00 54.24 N ATOM 1171 CA ASN A 88 1.893 5.098 9.938 1.00 15.12 C ATOM 1172 C ASN A 88 1.462 6.446 10.417 1.00 41.53 C ATOM 1173 O ASN A 88 0.748 7.179 9.718 1.00 74.33 O ATOM 1174 CB ASN A 88 2.209 5.111 8.440 1.00 3.04 C ATOM 1175 CG ASN A 88 2.936 3.859 8.000 1.00 72.32 C ATOM 1176 OD1 ASN A 88 4.158 3.806 7.989 1.00 14.52 O ATOM 1177 ND2 ASN A 88 2.196 2.841 7.645 1.00 51.41 N ATOM 0 H ASN A 88 0.111 4.030 9.680 1.00 54.24 H new ATOM 0 HA ASN A 88 2.821 4.840 10.448 1.00 15.12 H new ATOM 0 HB2 ASN A 88 1.282 5.208 7.875 1.00 3.04 H new ATOM 0 HB3 ASN A 88 2.818 5.984 8.206 1.00 3.04 H new ATOM 0 HD21 ASN A 88 2.636 1.970 7.348 1.00 51.41 H new ATOM 0 HD22 ASN A 88 1.179 2.918 7.665 1.00 51.41 H new ATOM 1184 N VAL A 89 1.829 6.743 11.637 1.00 52.21 N ATOM 1185 CA VAL A 89 1.537 8.021 12.228 1.00 52.33 C ATOM 1186 C VAL A 89 2.508 9.056 11.687 1.00 22.23 C ATOM 1187 O VAL A 89 3.638 8.708 11.305 1.00 74.32 O ATOM 1188 CB VAL A 89 1.568 7.978 13.779 1.00 55.12 C ATOM 1189 CG1 VAL A 89 0.464 7.069 14.294 1.00 52.03 C ATOM 1190 CG2 VAL A 89 2.925 7.498 14.291 1.00 41.00 C ATOM 0 H VAL A 89 2.339 6.105 12.248 1.00 52.21 H new ATOM 0 HA VAL A 89 0.519 8.298 11.954 1.00 52.33 H new ATOM 0 HB VAL A 89 1.406 8.990 14.151 1.00 55.12 H new ATOM 0 HG11 VAL A 89 0.492 7.044 15.383 1.00 52.03 H new ATOM 0 HG12 VAL A 89 -0.503 7.449 13.965 1.00 52.03 H new ATOM 0 HG13 VAL A 89 0.610 6.062 13.904 1.00 52.03 H new ATOM 0 HG21 VAL A 89 2.916 7.478 15.381 1.00 41.00 H new ATOM 0 HG22 VAL A 89 3.123 6.496 13.911 1.00 41.00 H new ATOM 0 HG23 VAL A 89 3.705 8.177 13.947 1.00 41.00 H new ATOM 1200 N SER A 90 2.042 10.295 11.581 1.00 34.34 N ATOM 1201 CA SER A 90 2.799 11.411 11.018 1.00 14.35 C ATOM 1202 C SER A 90 2.963 11.180 9.502 1.00 44.31 C ATOM 1203 O SER A 90 3.774 11.828 8.833 1.00 53.20 O ATOM 1204 CB SER A 90 4.172 11.581 11.733 1.00 63.43 C ATOM 1205 OG SER A 90 4.795 12.822 11.406 1.00 15.31 O ATOM 0 H SER A 90 1.107 10.559 11.890 1.00 34.34 H new ATOM 0 HA SER A 90 2.255 12.342 11.178 1.00 14.35 H new ATOM 0 HB2 SER A 90 4.029 11.520 12.812 1.00 63.43 H new ATOM 0 HB3 SER A 90 4.831 10.759 11.452 1.00 63.43 H new ATOM 0 HG SER A 90 4.724 12.979 10.441 1.00 15.31 H new ATOM 1211 N GLY A 91 2.130 10.271 8.968 1.00 3.41 N ATOM 1212 CA GLY A 91 2.178 9.906 7.566 1.00 2.04 C ATOM 1213 C GLY A 91 1.725 11.035 6.685 1.00 73.04 C ATOM 1214 O GLY A 91 2.232 11.221 5.570 1.00 44.25 O ATOM 0 H GLY A 91 1.414 9.779 9.502 1.00 3.41 H new ATOM 0 HA2 GLY A 91 3.195 9.621 7.298 1.00 2.04 H new ATOM 0 HA3 GLY A 91 1.547 9.034 7.395 1.00 2.04 H new ATOM 1218 N LYS A 92 0.784 11.793 7.172 1.00 65.33 N ATOM 1219 CA LYS A 92 0.303 12.932 6.469 1.00 13.21 C ATOM 1220 C LYS A 92 0.062 14.027 7.488 1.00 42.23 C ATOM 1221 O LYS A 92 -0.762 13.871 8.392 1.00 62.12 O ATOM 1222 CB LYS A 92 -0.985 12.605 5.711 1.00 63.03 C ATOM 1223 CG LYS A 92 -1.339 13.622 4.640 1.00 13.41 C ATOM 1224 CD LYS A 92 -0.343 13.577 3.490 1.00 54.41 C ATOM 1225 CE LYS A 92 -0.653 14.622 2.437 1.00 43.24 C ATOM 1226 NZ LYS A 92 0.339 14.599 1.349 1.00 20.32 N ATOM 0 H LYS A 92 0.332 11.632 8.072 1.00 65.33 H new ATOM 0 HA LYS A 92 1.035 13.254 5.728 1.00 13.21 H new ATOM 0 HB2 LYS A 92 -0.884 11.623 5.248 1.00 63.03 H new ATOM 0 HB3 LYS A 92 -1.808 12.539 6.423 1.00 63.03 H new ATOM 0 HG2 LYS A 92 -2.343 13.424 4.264 1.00 13.41 H new ATOM 0 HG3 LYS A 92 -1.353 14.622 5.074 1.00 13.41 H new ATOM 0 HD2 LYS A 92 0.664 13.736 3.875 1.00 54.41 H new ATOM 0 HD3 LYS A 92 -0.357 12.587 3.035 1.00 54.41 H new ATOM 0 HE2 LYS A 92 -1.648 14.445 2.028 1.00 43.24 H new ATOM 0 HE3 LYS A 92 -0.669 15.610 2.896 1.00 43.24 H new ATOM 0 HZ1 LYS A 92 0.099 15.326 0.645 1.00 20.32 H new ATOM 0 HZ2 LYS A 92 1.284 14.792 1.737 1.00 20.32 H new ATOM 0 HZ3 LYS A 92 0.335 13.663 0.896 1.00 20.32 H new ATOM 1240 N VAL A 93 0.808 15.094 7.379 1.00 25.42 N ATOM 1241 CA VAL A 93 0.714 16.194 8.324 1.00 43.43 C ATOM 1242 C VAL A 93 -0.030 17.390 7.720 1.00 13.22 C ATOM 1243 O VAL A 93 -0.165 18.449 8.355 1.00 72.12 O ATOM 1244 CB VAL A 93 2.115 16.635 8.836 1.00 72.03 C ATOM 1245 CG1 VAL A 93 2.797 15.497 9.585 1.00 21.41 C ATOM 1246 CG2 VAL A 93 3.000 17.120 7.691 1.00 73.13 C ATOM 0 H VAL A 93 1.497 15.233 6.640 1.00 25.42 H new ATOM 0 HA VAL A 93 0.142 15.828 9.177 1.00 43.43 H new ATOM 0 HB VAL A 93 1.967 17.468 9.523 1.00 72.03 H new ATOM 0 HG11 VAL A 93 3.775 15.826 9.935 1.00 21.41 H new ATOM 0 HG12 VAL A 93 2.186 15.206 10.439 1.00 21.41 H new ATOM 0 HG13 VAL A 93 2.919 14.644 8.918 1.00 21.41 H new ATOM 0 HG21 VAL A 93 3.971 17.420 8.084 1.00 73.13 H new ATOM 0 HG22 VAL A 93 3.134 16.315 6.969 1.00 73.13 H new ATOM 0 HG23 VAL A 93 2.528 17.972 7.202 1.00 73.13 H new ATOM 1256 N LYS A 94 -0.506 17.219 6.501 1.00 22.33 N ATOM 1257 CA LYS A 94 -1.265 18.253 5.828 1.00 62.03 C ATOM 1258 C LYS A 94 -2.758 18.035 6.020 1.00 32.21 C ATOM 1259 O LYS A 94 -3.179 17.080 6.681 1.00 62.24 O ATOM 1260 CB LYS A 94 -0.952 18.316 4.331 1.00 61.04 C ATOM 1261 CG LYS A 94 0.443 18.792 3.971 1.00 5.10 C ATOM 1262 CD LYS A 94 0.572 18.933 2.461 1.00 34.10 C ATOM 1263 CE LYS A 94 1.931 19.469 2.052 1.00 3.30 C ATOM 1264 NZ LYS A 94 2.012 19.700 0.593 1.00 3.42 N ATOM 0 H LYS A 94 -0.379 16.367 5.955 1.00 22.33 H new ATOM 0 HA LYS A 94 -0.971 19.201 6.278 1.00 62.03 H new ATOM 0 HB2 LYS A 94 -1.098 17.323 3.906 1.00 61.04 H new ATOM 0 HB3 LYS A 94 -1.676 18.977 3.854 1.00 61.04 H new ATOM 0 HG2 LYS A 94 0.645 19.749 4.452 1.00 5.10 H new ATOM 0 HG3 LYS A 94 1.185 18.085 4.343 1.00 5.10 H new ATOM 0 HD2 LYS A 94 0.409 17.963 1.992 1.00 34.10 H new ATOM 0 HD3 LYS A 94 -0.207 19.601 2.092 1.00 34.10 H new ATOM 0 HE2 LYS A 94 2.128 20.402 2.580 1.00 3.30 H new ATOM 0 HE3 LYS A 94 2.706 18.764 2.352 1.00 3.30 H new ATOM 0 HZ1 LYS A 94 2.955 20.066 0.351 1.00 3.42 H new ATOM 0 HZ2 LYS A 94 1.849 18.804 0.090 1.00 3.42 H new ATOM 0 HZ3 LYS A 94 1.289 20.392 0.310 1.00 3.42 H new ATOM 1278 N GLU A 95 -3.542 18.914 5.416 1.00 72.32 N ATOM 1279 CA GLU A 95 -5.008 18.909 5.484 1.00 61.24 C ATOM 1280 C GLU A 95 -5.628 17.652 4.864 1.00 62.32 C ATOM 1281 O GLU A 95 -6.803 17.330 5.113 1.00 5.44 O ATOM 1282 CB GLU A 95 -5.568 20.139 4.775 1.00 34.04 C ATOM 1283 CG GLU A 95 -5.159 20.234 3.314 1.00 41.02 C ATOM 1284 CD GLU A 95 -5.902 21.297 2.571 1.00 72.32 C ATOM 1285 OE1 GLU A 95 -7.044 21.034 2.122 1.00 63.44 O ATOM 1286 OE2 GLU A 95 -5.368 22.401 2.387 1.00 11.32 O ATOM 0 H GLU A 95 -3.172 19.675 4.847 1.00 72.32 H new ATOM 0 HA GLU A 95 -5.271 18.922 6.542 1.00 61.24 H new ATOM 0 HB2 GLU A 95 -6.656 20.122 4.839 1.00 34.04 H new ATOM 0 HB3 GLU A 95 -5.232 21.035 5.297 1.00 34.04 H new ATOM 0 HG2 GLU A 95 -4.089 20.435 3.254 1.00 41.02 H new ATOM 0 HG3 GLU A 95 -5.330 19.272 2.830 1.00 41.02 H new ATOM 1293 N GLY A 96 -4.872 16.986 4.024 1.00 51.51 N ATOM 1294 CA GLY A 96 -5.336 15.785 3.406 1.00 31.34 C ATOM 1295 C GLY A 96 -5.350 14.637 4.377 1.00 14.11 C ATOM 1296 O GLY A 96 -4.363 13.932 4.508 1.00 4.05 O ATOM 0 H GLY A 96 -3.928 17.265 3.757 1.00 51.51 H new ATOM 0 HA2 GLY A 96 -6.340 15.942 3.011 1.00 31.34 H new ATOM 0 HA3 GLY A 96 -4.695 15.539 2.559 1.00 31.34 H new ATOM 1300 N GLU A 97 -6.451 14.491 5.089 1.00 5.23 N ATOM 1301 CA GLU A 97 -6.639 13.395 6.009 1.00 35.11 C ATOM 1302 C GLU A 97 -6.530 12.087 5.269 1.00 74.34 C ATOM 1303 O GLU A 97 -7.330 11.799 4.380 1.00 62.21 O ATOM 1304 CB GLU A 97 -8.021 13.502 6.635 1.00 13.40 C ATOM 1305 CG GLU A 97 -8.068 14.190 7.973 1.00 2.24 C ATOM 1306 CD GLU A 97 -7.477 13.321 9.047 1.00 75.14 C ATOM 1307 OE1 GLU A 97 -6.315 13.530 9.431 1.00 21.44 O ATOM 1308 OE2 GLU A 97 -8.172 12.399 9.524 1.00 73.44 O ATOM 0 H GLU A 97 -7.241 15.134 5.043 1.00 5.23 H new ATOM 0 HA GLU A 97 -5.875 13.436 6.785 1.00 35.11 H new ATOM 0 HB2 GLU A 97 -8.674 14.038 5.946 1.00 13.40 H new ATOM 0 HB3 GLU A 97 -8.430 12.498 6.746 1.00 13.40 H new ATOM 0 HG2 GLU A 97 -7.522 15.132 7.921 1.00 2.24 H new ATOM 0 HG3 GLU A 97 -9.100 14.434 8.224 1.00 2.24 H new ATOM 1315 N GLY A 98 -5.572 11.308 5.655 1.00 72.20 N ATOM 1316 CA GLY A 98 -5.330 10.067 5.026 1.00 42.15 C ATOM 1317 C GLY A 98 -4.762 9.112 6.002 1.00 3.20 C ATOM 1318 O GLY A 98 -3.941 9.494 6.833 1.00 55.14 O ATOM 0 H GLY A 98 -4.935 11.524 6.422 1.00 72.20 H new ATOM 0 HA2 GLY A 98 -6.258 9.671 4.614 1.00 42.15 H new ATOM 0 HA3 GLY A 98 -4.642 10.200 4.191 1.00 42.15 H new ATOM 1322 N TYR A 99 -5.207 7.904 5.948 1.00 3.04 N ATOM 1323 CA TYR A 99 -4.751 6.890 6.850 1.00 40.24 C ATOM 1324 C TYR A 99 -4.026 5.881 6.041 1.00 4.11 C ATOM 1325 O TYR A 99 -4.574 5.356 5.061 1.00 42.22 O ATOM 1326 CB TYR A 99 -5.930 6.242 7.588 1.00 5.40 C ATOM 1327 CG TYR A 99 -6.913 7.260 8.086 1.00 25.32 C ATOM 1328 CD1 TYR A 99 -6.545 8.225 9.014 1.00 54.02 C ATOM 1329 CD2 TYR A 99 -8.193 7.290 7.582 1.00 51.51 C ATOM 1330 CE1 TYR A 99 -7.434 9.195 9.412 1.00 54.13 C ATOM 1331 CE2 TYR A 99 -9.091 8.230 7.975 1.00 71.42 C ATOM 1332 CZ TYR A 99 -8.707 9.200 8.898 1.00 43.14 C ATOM 1333 OH TYR A 99 -9.585 10.201 9.279 1.00 12.42 O ATOM 0 H TYR A 99 -5.903 7.584 5.274 1.00 3.04 H new ATOM 0 HA TYR A 99 -4.098 7.321 7.609 1.00 40.24 H new ATOM 0 HB2 TYR A 99 -6.437 5.546 6.920 1.00 5.40 H new ATOM 0 HB3 TYR A 99 -5.554 5.660 8.429 1.00 5.40 H new ATOM 0 HD1 TYR A 99 -5.548 8.213 9.428 1.00 54.02 H new ATOM 0 HD2 TYR A 99 -8.491 6.548 6.856 1.00 51.51 H new ATOM 0 HE1 TYR A 99 -7.133 9.949 10.125 1.00 54.13 H new ATOM 0 HE2 TYR A 99 -10.094 8.225 7.575 1.00 71.42 H new ATOM 0 HH TYR A 99 -9.133 11.069 9.229 1.00 12.42 H new ATOM 1343 N LYS A 100 -2.815 5.637 6.404 1.00 0.25 N ATOM 1344 CA LYS A 100 -1.989 4.745 5.681 1.00 41.22 C ATOM 1345 C LYS A 100 -1.632 3.605 6.599 1.00 42.34 C ATOM 1346 O LYS A 100 -0.779 3.730 7.505 1.00 13.03 O ATOM 1347 CB LYS A 100 -0.755 5.498 5.114 1.00 64.15 C ATOM 1348 CG LYS A 100 0.120 4.714 4.128 1.00 55.43 C ATOM 1349 CD LYS A 100 1.012 3.691 4.815 1.00 51.00 C ATOM 1350 CE LYS A 100 1.847 2.904 3.835 1.00 52.01 C ATOM 1351 NZ LYS A 100 2.791 3.747 3.074 1.00 64.40 N ATOM 0 H LYS A 100 -2.369 6.057 7.220 1.00 0.25 H new ATOM 0 HA LYS A 100 -2.503 4.333 4.813 1.00 41.22 H new ATOM 0 HB2 LYS A 100 -1.104 6.404 4.618 1.00 64.15 H new ATOM 0 HB3 LYS A 100 -0.131 5.813 5.951 1.00 64.15 H new ATOM 0 HG2 LYS A 100 -0.520 4.205 3.407 1.00 55.43 H new ATOM 0 HG3 LYS A 100 0.741 5.412 3.566 1.00 55.43 H new ATOM 0 HD2 LYS A 100 1.669 4.201 5.520 1.00 51.00 H new ATOM 0 HD3 LYS A 100 0.394 3.005 5.394 1.00 51.00 H new ATOM 0 HE2 LYS A 100 2.405 2.139 4.374 1.00 52.01 H new ATOM 0 HE3 LYS A 100 1.188 2.386 3.138 1.00 52.01 H new ATOM 0 HZ1 LYS A 100 3.200 3.193 2.295 1.00 64.40 H new ATOM 0 HZ2 LYS A 100 2.287 4.570 2.687 1.00 64.40 H new ATOM 0 HZ3 LYS A 100 3.552 4.072 3.704 1.00 64.40 H new ATOM 1365 N LEU A 101 -2.304 2.529 6.403 1.00 43.12 N ATOM 1366 CA LEU A 101 -2.132 1.373 7.222 1.00 33.22 C ATOM 1367 C LEU A 101 -1.458 0.318 6.404 1.00 53.12 C ATOM 1368 O LEU A 101 -1.826 0.102 5.248 1.00 61.13 O ATOM 1369 CB LEU A 101 -3.497 0.909 7.725 1.00 43.41 C ATOM 1370 CG LEU A 101 -4.268 1.949 8.551 1.00 21.02 C ATOM 1371 CD1 LEU A 101 -5.673 1.477 8.839 1.00 42.44 C ATOM 1372 CD2 LEU A 101 -3.540 2.254 9.852 1.00 3.01 C ATOM 0 H LEU A 101 -2.997 2.420 5.663 1.00 43.12 H new ATOM 0 HA LEU A 101 -1.512 1.592 8.092 1.00 33.22 H new ATOM 0 HB2 LEU A 101 -4.106 0.623 6.868 1.00 43.41 H new ATOM 0 HB3 LEU A 101 -3.360 0.014 8.331 1.00 43.41 H new ATOM 0 HG LEU A 101 -4.326 2.864 7.962 1.00 21.02 H new ATOM 0 HD11 LEU A 101 -6.197 2.232 9.425 1.00 42.44 H new ATOM 0 HD12 LEU A 101 -6.202 1.315 7.900 1.00 42.44 H new ATOM 0 HD13 LEU A 101 -5.635 0.543 9.400 1.00 42.44 H new ATOM 0 HD21 LEU A 101 -4.105 2.993 10.420 1.00 3.01 H new ATOM 0 HD22 LEU A 101 -3.445 1.340 10.439 1.00 3.01 H new ATOM 0 HD23 LEU A 101 -2.548 2.647 9.630 1.00 3.01 H new ATOM 1384 N VAL A 102 -0.458 -0.301 6.953 1.00 31.14 N ATOM 1385 CA VAL A 102 0.269 -1.284 6.219 1.00 72.02 C ATOM 1386 C VAL A 102 0.344 -2.580 6.989 1.00 44.34 C ATOM 1387 O VAL A 102 0.541 -2.592 8.205 1.00 72.22 O ATOM 1388 CB VAL A 102 1.694 -0.781 5.801 1.00 63.51 C ATOM 1389 CG1 VAL A 102 2.569 -0.478 7.001 1.00 60.21 C ATOM 1390 CG2 VAL A 102 2.388 -1.763 4.861 1.00 25.11 C ATOM 0 H VAL A 102 -0.129 -0.142 7.905 1.00 31.14 H new ATOM 0 HA VAL A 102 -0.278 -1.469 5.295 1.00 72.02 H new ATOM 0 HB VAL A 102 1.543 0.153 5.260 1.00 63.51 H new ATOM 0 HG11 VAL A 102 3.546 -0.133 6.661 1.00 60.21 H new ATOM 0 HG12 VAL A 102 2.100 0.298 7.606 1.00 60.21 H new ATOM 0 HG13 VAL A 102 2.691 -1.381 7.600 1.00 60.21 H new ATOM 0 HG21 VAL A 102 3.372 -1.378 4.595 1.00 25.11 H new ATOM 0 HG22 VAL A 102 2.498 -2.727 5.358 1.00 25.11 H new ATOM 0 HG23 VAL A 102 1.790 -1.886 3.958 1.00 25.11 H new ATOM 1400 N TRP A 103 0.120 -3.639 6.299 1.00 40.11 N ATOM 1401 CA TRP A 103 0.212 -4.949 6.850 1.00 72.54 C ATOM 1402 C TRP A 103 1.422 -5.614 6.287 1.00 62.10 C ATOM 1403 O TRP A 103 1.673 -5.553 5.085 1.00 33.03 O ATOM 1404 CB TRP A 103 -1.051 -5.770 6.567 1.00 50.31 C ATOM 1405 CG TRP A 103 -2.261 -5.211 7.232 1.00 54.14 C ATOM 1406 CD1 TRP A 103 -2.777 -5.586 8.432 1.00 73.02 C ATOM 1407 CD2 TRP A 103 -3.094 -4.162 6.745 1.00 61.25 C ATOM 1408 NE1 TRP A 103 -3.876 -4.820 8.729 1.00 35.02 N ATOM 1409 CE2 TRP A 103 -4.093 -3.944 7.704 1.00 15.11 C ATOM 1410 CE3 TRP A 103 -3.085 -3.387 5.590 1.00 20.42 C ATOM 1411 CZ2 TRP A 103 -5.072 -2.980 7.541 1.00 4.30 C ATOM 1412 CZ3 TRP A 103 -4.052 -2.437 5.430 1.00 22.02 C ATOM 1413 CH2 TRP A 103 -5.032 -2.237 6.398 1.00 65.30 C ATOM 0 H TRP A 103 -0.139 -3.622 5.312 1.00 40.11 H new ATOM 0 HA TRP A 103 0.300 -4.878 7.934 1.00 72.54 H new ATOM 0 HB2 TRP A 103 -1.219 -5.811 5.491 1.00 50.31 H new ATOM 0 HB3 TRP A 103 -0.897 -6.795 6.905 1.00 50.31 H new ATOM 0 HD1 TRP A 103 -2.381 -6.371 9.059 1.00 73.02 H new ATOM 0 HE1 TRP A 103 -4.439 -4.893 9.577 1.00 35.02 H new ATOM 0 HE3 TRP A 103 -2.328 -3.534 4.834 1.00 20.42 H new ATOM 0 HZ2 TRP A 103 -5.836 -2.822 8.288 1.00 4.30 H new ATOM 0 HZ3 TRP A 103 -4.057 -1.830 4.537 1.00 22.02 H new ATOM 0 HH2 TRP A 103 -5.780 -1.474 6.240 1.00 65.30 H new ATOM 1424 N LYS A 104 2.187 -6.191 7.140 1.00 71.40 N ATOM 1425 CA LYS A 104 3.386 -6.844 6.754 1.00 52.21 C ATOM 1426 C LYS A 104 3.168 -8.327 6.909 1.00 15.31 C ATOM 1427 O LYS A 104 2.810 -8.808 7.998 1.00 33.20 O ATOM 1428 CB LYS A 104 4.542 -6.338 7.617 1.00 42.12 C ATOM 1429 CG LYS A 104 4.726 -4.823 7.536 1.00 53.33 C ATOM 1430 CD LYS A 104 5.769 -4.324 8.520 1.00 12.21 C ATOM 1431 CE LYS A 104 5.872 -2.801 8.508 1.00 72.15 C ATOM 1432 NZ LYS A 104 6.395 -2.269 7.233 1.00 11.23 N ATOM 0 H LYS A 104 1.996 -6.224 8.141 1.00 71.40 H new ATOM 0 HA LYS A 104 3.644 -6.631 5.717 1.00 52.21 H new ATOM 0 HB2 LYS A 104 4.366 -6.623 8.654 1.00 42.12 H new ATOM 0 HB3 LYS A 104 5.464 -6.828 7.304 1.00 42.12 H new ATOM 0 HG2 LYS A 104 5.021 -4.547 6.524 1.00 53.33 H new ATOM 0 HG3 LYS A 104 3.774 -4.331 7.736 1.00 53.33 H new ATOM 0 HD2 LYS A 104 5.514 -4.664 9.524 1.00 12.21 H new ATOM 0 HD3 LYS A 104 6.739 -4.756 8.273 1.00 12.21 H new ATOM 0 HE2 LYS A 104 4.887 -2.374 8.697 1.00 72.15 H new ATOM 0 HE3 LYS A 104 6.520 -2.480 9.323 1.00 72.15 H new ATOM 0 HZ1 LYS A 104 6.427 -1.230 7.277 1.00 11.23 H new ATOM 0 HZ2 LYS A 104 7.354 -2.638 7.070 1.00 11.23 H new ATOM 0 HZ3 LYS A 104 5.773 -2.563 6.453 1.00 11.23 H new ATOM 1446 N SER A 105 3.326 -9.029 5.827 1.00 43.31 N ATOM 1447 CA SER A 105 3.091 -10.452 5.754 1.00 23.11 C ATOM 1448 C SER A 105 4.179 -11.244 6.522 1.00 22.14 C ATOM 1449 O SER A 105 5.020 -10.664 7.246 1.00 11.25 O ATOM 1450 CB SER A 105 3.040 -10.847 4.259 1.00 14.21 C ATOM 1451 OG SER A 105 2.711 -12.210 4.055 1.00 72.23 O ATOM 0 H SER A 105 3.630 -8.622 4.942 1.00 43.31 H new ATOM 0 HA SER A 105 2.144 -10.701 6.232 1.00 23.11 H new ATOM 0 HB2 SER A 105 2.307 -10.222 3.749 1.00 14.21 H new ATOM 0 HB3 SER A 105 4.008 -10.641 3.802 1.00 14.21 H new ATOM 0 HG SER A 105 3.440 -12.654 3.573 1.00 72.23 H new ATOM 1457 N ALA A 106 4.146 -12.548 6.372 1.00 23.01 N ATOM 1458 CA ALA A 106 5.088 -13.421 7.005 1.00 40.54 C ATOM 1459 C ALA A 106 6.418 -13.305 6.311 1.00 44.25 C ATOM 1460 O ALA A 106 6.489 -13.295 5.064 1.00 70.10 O ATOM 1461 CB ALA A 106 4.593 -14.850 6.979 1.00 41.52 C ATOM 0 H ALA A 106 3.454 -13.031 5.799 1.00 23.01 H new ATOM 0 HA ALA A 106 5.203 -13.128 8.049 1.00 40.54 H new ATOM 0 HB1 ALA A 106 5.323 -15.497 7.465 1.00 41.52 H new ATOM 0 HB2 ALA A 106 3.642 -14.915 7.508 1.00 41.52 H new ATOM 0 HB3 ALA A 106 4.456 -15.169 5.946 1.00 41.52 H new ATOM 1467 N ALA A 107 7.449 -13.202 7.089 1.00 24.25 N ATOM 1468 CA ALA A 107 8.767 -13.057 6.581 1.00 31.44 C ATOM 1469 C ALA A 107 9.365 -14.421 6.335 1.00 1.21 C ATOM 1470 O ALA A 107 9.367 -15.290 7.218 1.00 4.33 O ATOM 1471 CB ALA A 107 9.624 -12.262 7.547 1.00 73.11 C ATOM 0 H ALA A 107 7.393 -13.217 8.107 1.00 24.25 H new ATOM 0 HA ALA A 107 8.730 -12.511 5.638 1.00 31.44 H new ATOM 0 HB1 ALA A 107 10.631 -12.161 7.142 1.00 73.11 H new ATOM 0 HB2 ALA A 107 9.189 -11.273 7.690 1.00 73.11 H new ATOM 0 HB3 ALA A 107 9.669 -12.780 8.505 1.00 73.11 H new ATOM 1477 N GLN A 108 9.822 -14.623 5.149 1.00 31.43 N ATOM 1478 CA GLN A 108 10.441 -15.856 4.776 1.00 53.41 C ATOM 1479 C GLN A 108 11.930 -15.614 4.764 1.00 13.52 C ATOM 1480 O GLN A 108 12.367 -14.538 4.377 1.00 62.34 O ATOM 1481 CB GLN A 108 9.982 -16.292 3.376 1.00 32.23 C ATOM 1482 CG GLN A 108 8.474 -16.219 3.141 1.00 61.13 C ATOM 1483 CD GLN A 108 7.646 -16.981 4.161 1.00 31.43 C ATOM 1484 OE1 GLN A 108 8.080 -17.993 4.734 1.00 14.41 O ATOM 1485 NE2 GLN A 108 6.448 -16.504 4.395 1.00 63.32 N ATOM 0 H GLN A 108 9.778 -13.933 4.399 1.00 31.43 H new ATOM 0 HA GLN A 108 10.169 -16.644 5.478 1.00 53.41 H new ATOM 0 HB2 GLN A 108 10.481 -15.667 2.635 1.00 32.23 H new ATOM 0 HB3 GLN A 108 10.313 -17.316 3.204 1.00 32.23 H new ATOM 0 HG2 GLN A 108 8.167 -15.173 3.149 1.00 61.13 H new ATOM 0 HG3 GLN A 108 8.253 -16.608 2.147 1.00 61.13 H new ATOM 0 HE21 GLN A 108 6.126 -15.670 3.904 1.00 63.32 H new ATOM 0 HE22 GLN A 108 5.837 -16.967 5.068 1.00 63.32 H new ATOM 1494 N ARG A 109 12.698 -16.563 5.186 1.00 12.40 N ATOM 1495 CA ARG A 109 14.133 -16.388 5.202 1.00 70.32 C ATOM 1496 C ARG A 109 14.744 -16.702 3.853 1.00 45.54 C ATOM 1497 O ARG A 109 14.428 -17.718 3.235 1.00 61.54 O ATOM 1498 CB ARG A 109 14.807 -17.154 6.343 1.00 4.21 C ATOM 1499 CG ARG A 109 14.320 -18.578 6.557 1.00 72.14 C ATOM 1500 CD ARG A 109 15.134 -19.263 7.641 1.00 33.02 C ATOM 1501 NE ARG A 109 15.233 -18.435 8.860 1.00 64.04 N ATOM 1502 CZ ARG A 109 16.184 -18.563 9.790 1.00 64.24 C ATOM 1503 NH1 ARG A 109 17.003 -19.614 9.777 1.00 24.14 N ATOM 1504 NH2 ARG A 109 16.288 -17.652 10.753 1.00 65.43 N ATOM 0 H ARG A 109 12.369 -17.467 5.525 1.00 12.40 H new ATOM 0 HA ARG A 109 14.322 -15.333 5.401 1.00 70.32 H new ATOM 0 HB2 ARG A 109 15.880 -17.181 6.154 1.00 4.21 H new ATOM 0 HB3 ARG A 109 14.660 -16.596 7.268 1.00 4.21 H new ATOM 0 HG2 ARG A 109 13.266 -18.570 6.836 1.00 72.14 H new ATOM 0 HG3 ARG A 109 14.399 -19.139 5.626 1.00 72.14 H new ATOM 0 HD2 ARG A 109 14.676 -20.221 7.889 1.00 33.02 H new ATOM 0 HD3 ARG A 109 16.134 -19.476 7.264 1.00 33.02 H new ATOM 0 HE ARG A 109 14.525 -17.714 9.002 1.00 64.04 H new ATOM 0 HH11 ARG A 109 16.906 -20.327 9.054 1.00 24.14 H new ATOM 0 HH12 ARG A 109 17.727 -19.705 10.490 1.00 24.14 H new ATOM 0 HH21 ARG A 109 15.644 -16.861 10.779 1.00 65.43 H new ATOM 0 HH22 ARG A 109 17.012 -17.744 11.466 1.00 65.43 H new ATOM 1518 N SER A 110 15.568 -15.808 3.384 1.00 4.41 N ATOM 1519 CA SER A 110 16.188 -15.937 2.106 1.00 64.34 C ATOM 1520 C SER A 110 17.667 -16.292 2.309 1.00 45.52 C ATOM 1521 O SER A 110 18.231 -16.041 3.381 1.00 40.23 O ATOM 1522 CB SER A 110 16.025 -14.610 1.344 1.00 44.15 C ATOM 1523 OG SER A 110 16.442 -14.717 -0.001 1.00 42.20 O ATOM 0 H SER A 110 15.828 -14.961 3.889 1.00 4.41 H new ATOM 0 HA SER A 110 15.723 -16.730 1.520 1.00 64.34 H new ATOM 0 HB2 SER A 110 14.981 -14.300 1.376 1.00 44.15 H new ATOM 0 HB3 SER A 110 16.604 -13.832 1.842 1.00 44.15 H new ATOM 0 HG SER A 110 16.321 -13.855 -0.451 1.00 42.20 H new ATOM 1529 N HIS A 111 18.302 -16.819 1.278 1.00 74.25 N ATOM 1530 CA HIS A 111 19.700 -17.288 1.355 1.00 72.12 C ATOM 1531 C HIS A 111 20.704 -16.145 1.228 1.00 74.41 C ATOM 1532 O HIS A 111 21.905 -16.358 1.054 1.00 65.53 O ATOM 1533 CB HIS A 111 19.988 -18.363 0.302 1.00 74.44 C ATOM 1534 CG HIS A 111 19.227 -19.639 0.506 1.00 32.10 C ATOM 1535 ND1 HIS A 111 19.772 -20.786 1.042 1.00 53.11 N ATOM 1536 CD2 HIS A 111 17.942 -19.938 0.218 1.00 0.02 C ATOM 1537 CE1 HIS A 111 18.824 -21.721 1.061 1.00 52.33 C ATOM 1538 NE2 HIS A 111 17.688 -21.256 0.570 1.00 72.33 N ATOM 0 H HIS A 111 17.876 -16.940 0.359 1.00 74.25 H new ATOM 0 HA HIS A 111 19.822 -17.727 2.345 1.00 72.12 H new ATOM 0 HB2 HIS A 111 19.749 -17.964 -0.684 1.00 74.44 H new ATOM 0 HB3 HIS A 111 21.055 -18.584 0.307 1.00 74.44 H new ATOM 0 HD2 HIS A 111 17.225 -19.258 -0.218 1.00 0.02 H new ATOM 0 HE1 HIS A 111 18.965 -22.727 1.429 1.00 52.33 H new ATOM 0 HE2 HIS A 111 16.808 -21.761 0.471 1.00 72.33 H new ATOM 1546 N ASP A 112 20.219 -14.948 1.316 1.00 30.00 N ATOM 1547 CA ASP A 112 21.069 -13.769 1.234 1.00 73.53 C ATOM 1548 C ASP A 112 21.134 -13.103 2.614 1.00 44.04 C ATOM 1549 O ASP A 112 21.571 -11.979 2.770 1.00 75.44 O ATOM 1550 CB ASP A 112 20.495 -12.827 0.175 1.00 65.12 C ATOM 1551 CG ASP A 112 21.373 -11.639 -0.132 1.00 62.32 C ATOM 1552 OD1 ASP A 112 22.508 -11.839 -0.611 1.00 50.42 O ATOM 1553 OD2 ASP A 112 20.905 -10.493 0.003 1.00 75.42 O ATOM 0 H ASP A 112 19.228 -14.744 1.446 1.00 30.00 H new ATOM 0 HA ASP A 112 22.085 -14.035 0.942 1.00 73.53 H new ATOM 0 HB2 ASP A 112 20.328 -13.389 -0.744 1.00 65.12 H new ATOM 0 HB3 ASP A 112 19.522 -12.469 0.511 1.00 65.12 H new ATOM 1558 N GLN A 113 20.668 -13.859 3.618 1.00 34.04 N ATOM 1559 CA GLN A 113 20.598 -13.442 5.039 1.00 1.24 C ATOM 1560 C GLN A 113 19.574 -12.338 5.265 1.00 13.32 C ATOM 1561 O GLN A 113 19.482 -11.759 6.350 1.00 44.14 O ATOM 1562 CB GLN A 113 21.965 -13.060 5.636 1.00 1.12 C ATOM 1563 CG GLN A 113 22.974 -14.193 5.654 1.00 13.45 C ATOM 1564 CD GLN A 113 24.233 -13.841 6.413 1.00 33.13 C ATOM 1565 OE1 GLN A 113 24.337 -14.078 7.617 1.00 51.20 O ATOM 1566 NE2 GLN A 113 25.185 -13.273 5.742 1.00 25.13 N ATOM 0 H GLN A 113 20.318 -14.805 3.467 1.00 34.04 H new ATOM 0 HA GLN A 113 20.262 -14.327 5.579 1.00 1.24 H new ATOM 0 HB2 GLN A 113 22.379 -12.229 5.065 1.00 1.12 H new ATOM 0 HB3 GLN A 113 21.817 -12.704 6.656 1.00 1.12 H new ATOM 0 HG2 GLN A 113 22.517 -15.074 6.105 1.00 13.45 H new ATOM 0 HG3 GLN A 113 23.235 -14.458 4.629 1.00 13.45 H new ATOM 0 HE21 GLN A 113 25.068 -13.090 4.745 1.00 25.13 H new ATOM 0 HE22 GLN A 113 26.052 -13.009 6.210 1.00 25.13 H new ATOM 1575 N LYS A 114 18.779 -12.077 4.261 1.00 12.05 N ATOM 1576 CA LYS A 114 17.705 -11.146 4.389 1.00 33.42 C ATOM 1577 C LYS A 114 16.410 -11.900 4.345 1.00 64.04 C ATOM 1578 O LYS A 114 16.402 -13.128 4.135 1.00 44.45 O ATOM 1579 CB LYS A 114 17.748 -10.013 3.337 1.00 2.01 C ATOM 1580 CG LYS A 114 17.675 -10.428 1.868 1.00 62.13 C ATOM 1581 CD LYS A 114 17.725 -9.182 0.982 1.00 3.24 C ATOM 1582 CE LYS A 114 17.510 -9.459 -0.507 1.00 11.24 C ATOM 1583 NZ LYS A 114 18.519 -10.361 -1.084 1.00 22.13 N ATOM 0 H LYS A 114 18.862 -12.505 3.339 1.00 12.05 H new ATOM 0 HA LYS A 114 17.805 -10.638 5.348 1.00 33.42 H new ATOM 0 HB2 LYS A 114 16.921 -9.332 3.538 1.00 2.01 H new ATOM 0 HB3 LYS A 114 18.669 -9.449 3.484 1.00 2.01 H new ATOM 0 HG2 LYS A 114 18.504 -11.093 1.625 1.00 62.13 H new ATOM 0 HG3 LYS A 114 16.756 -10.983 1.681 1.00 62.13 H new ATOM 0 HD2 LYS A 114 16.965 -8.478 1.322 1.00 3.24 H new ATOM 0 HD3 LYS A 114 18.692 -8.696 1.113 1.00 3.24 H new ATOM 0 HE2 LYS A 114 16.521 -9.894 -0.649 1.00 11.24 H new ATOM 0 HE3 LYS A 114 17.524 -8.514 -1.051 1.00 11.24 H new ATOM 0 HZ1 LYS A 114 18.644 -10.142 -2.093 1.00 22.13 H new ATOM 0 HZ2 LYS A 114 19.424 -10.233 -0.587 1.00 22.13 H new ATOM 0 HZ3 LYS A 114 18.203 -11.347 -0.980 1.00 22.13 H new ATOM 1597 N ILE A 115 15.345 -11.223 4.555 1.00 13.11 N ATOM 1598 CA ILE A 115 14.068 -11.846 4.567 1.00 40.42 C ATOM 1599 C ILE A 115 13.216 -11.386 3.404 1.00 3.13 C ATOM 1600 O ILE A 115 13.467 -10.345 2.786 1.00 23.22 O ATOM 1601 CB ILE A 115 13.320 -11.639 5.913 1.00 13.10 C ATOM 1602 CG1 ILE A 115 13.376 -10.167 6.328 1.00 51.20 C ATOM 1603 CG2 ILE A 115 13.893 -12.550 6.999 1.00 54.11 C ATOM 1604 CD1 ILE A 115 12.589 -9.817 7.569 1.00 32.15 C ATOM 0 H ILE A 115 15.329 -10.217 4.725 1.00 13.11 H new ATOM 0 HA ILE A 115 14.246 -12.916 4.458 1.00 40.42 H new ATOM 0 HB ILE A 115 12.273 -11.912 5.778 1.00 13.10 H new ATOM 0 HG12 ILE A 115 14.418 -9.891 6.489 1.00 51.20 H new ATOM 0 HG13 ILE A 115 13.009 -9.559 5.501 1.00 51.20 H new ATOM 0 HG21 ILE A 115 13.354 -12.387 7.932 1.00 54.11 H new ATOM 0 HG22 ILE A 115 13.786 -13.591 6.695 1.00 54.11 H new ATOM 0 HG23 ILE A 115 14.949 -12.322 7.146 1.00 54.11 H new ATOM 0 HD11 ILE A 115 12.693 -8.752 7.778 1.00 32.15 H new ATOM 0 HD12 ILE A 115 11.537 -10.054 7.412 1.00 32.15 H new ATOM 0 HD13 ILE A 115 12.968 -10.391 8.414 1.00 32.15 H new ATOM 1616 N ARG A 116 12.284 -12.202 3.081 1.00 4.25 N ATOM 1617 CA ARG A 116 11.310 -11.974 2.066 1.00 70.23 C ATOM 1618 C ARG A 116 9.987 -11.719 2.741 1.00 52.32 C ATOM 1619 O ARG A 116 9.492 -12.572 3.463 1.00 25.23 O ATOM 1620 CB ARG A 116 11.216 -13.235 1.172 1.00 30.23 C ATOM 1621 CG ARG A 116 9.893 -13.401 0.422 1.00 32.25 C ATOM 1622 CD ARG A 116 9.654 -12.319 -0.604 1.00 41.24 C ATOM 1623 NE ARG A 116 8.257 -12.328 -1.065 1.00 22.01 N ATOM 1624 CZ ARG A 116 7.804 -12.924 -2.176 1.00 61.13 C ATOM 1625 NH1 ARG A 116 8.603 -13.712 -2.895 1.00 73.31 N ATOM 1626 NH2 ARG A 116 6.538 -12.737 -2.541 1.00 4.11 N ATOM 0 H ARG A 116 12.168 -13.104 3.543 1.00 4.25 H new ATOM 0 HA ARG A 116 11.581 -11.119 1.447 1.00 70.23 H new ATOM 0 HB2 ARG A 116 12.027 -13.207 0.445 1.00 30.23 H new ATOM 0 HB3 ARG A 116 11.376 -14.115 1.794 1.00 30.23 H new ATOM 0 HG2 ARG A 116 9.882 -14.372 -0.073 1.00 32.25 H new ATOM 0 HG3 ARG A 116 9.073 -13.400 1.140 1.00 32.25 H new ATOM 0 HD2 ARG A 116 9.892 -11.346 -0.174 1.00 41.24 H new ATOM 0 HD3 ARG A 116 10.322 -12.464 -1.453 1.00 41.24 H new ATOM 0 HE ARG A 116 7.573 -11.838 -0.488 1.00 22.01 H new ATOM 0 HH11 ARG A 116 9.568 -13.865 -2.601 1.00 73.31 H new ATOM 0 HH12 ARG A 116 8.250 -14.162 -3.740 1.00 73.31 H new ATOM 0 HH21 ARG A 116 5.927 -12.146 -1.977 1.00 4.11 H new ATOM 0 HH22 ARG A 116 6.179 -13.184 -3.384 1.00 4.11 H new ATOM 1640 N TRP A 117 9.439 -10.571 2.549 1.00 70.12 N ATOM 1641 CA TRP A 117 8.145 -10.296 3.092 1.00 45.30 C ATOM 1642 C TRP A 117 7.295 -9.654 2.022 1.00 42.31 C ATOM 1643 O TRP A 117 7.771 -9.417 0.905 1.00 33.35 O ATOM 1644 CB TRP A 117 8.226 -9.431 4.375 1.00 64.21 C ATOM 1645 CG TRP A 117 8.727 -8.031 4.175 1.00 4.13 C ATOM 1646 CD1 TRP A 117 7.966 -6.937 3.961 1.00 35.24 C ATOM 1647 CD2 TRP A 117 10.083 -7.572 4.192 1.00 45.41 C ATOM 1648 NE1 TRP A 117 8.751 -5.827 3.824 1.00 31.31 N ATOM 1649 CE2 TRP A 117 10.056 -6.185 3.968 1.00 41.33 C ATOM 1650 CE3 TRP A 117 11.306 -8.195 4.366 1.00 74.04 C ATOM 1651 CZ2 TRP A 117 11.214 -5.414 3.921 1.00 45.20 C ATOM 1652 CZ3 TRP A 117 12.456 -7.427 4.321 1.00 14.25 C ATOM 1653 CH2 TRP A 117 12.400 -6.054 4.102 1.00 44.32 C ATOM 0 H TRP A 117 9.860 -9.806 2.023 1.00 70.12 H new ATOM 0 HA TRP A 117 7.679 -11.232 3.400 1.00 45.30 H new ATOM 0 HB2 TRP A 117 7.234 -9.383 4.824 1.00 64.21 H new ATOM 0 HB3 TRP A 117 8.876 -9.933 5.091 1.00 64.21 H new ATOM 0 HD1 TRP A 117 6.887 -6.939 3.906 1.00 35.24 H new ATOM 0 HE1 TRP A 117 8.413 -4.882 3.643 1.00 31.31 H new ATOM 0 HE3 TRP A 117 11.362 -9.260 4.534 1.00 74.04 H new ATOM 0 HZ2 TRP A 117 11.172 -4.349 3.748 1.00 45.20 H new ATOM 0 HZ3 TRP A 117 13.416 -7.902 4.459 1.00 14.25 H new ATOM 0 HH2 TRP A 117 13.318 -5.485 4.075 1.00 44.32 H new ATOM 1664 N ASP A 118 6.054 -9.443 2.313 1.00 50.43 N ATOM 1665 CA ASP A 118 5.161 -8.778 1.398 1.00 1.23 C ATOM 1666 C ASP A 118 4.448 -7.752 2.209 1.00 23.03 C ATOM 1667 O ASP A 118 4.219 -7.970 3.411 1.00 50.13 O ATOM 1668 CB ASP A 118 4.112 -9.735 0.781 1.00 11.14 C ATOM 1669 CG ASP A 118 4.695 -11.045 0.254 1.00 55.21 C ATOM 1670 OD1 ASP A 118 4.496 -12.103 0.898 1.00 72.54 O ATOM 1671 OD2 ASP A 118 5.366 -11.043 -0.801 1.00 13.20 O ATOM 0 H ASP A 118 5.621 -9.724 3.193 1.00 50.43 H new ATOM 0 HA ASP A 118 5.732 -8.362 0.568 1.00 1.23 H new ATOM 0 HB2 ASP A 118 3.357 -9.963 1.533 1.00 11.14 H new ATOM 0 HB3 ASP A 118 3.604 -9.222 -0.035 1.00 11.14 H new ATOM 1676 N GLU A 119 4.121 -6.655 1.621 1.00 2.53 N ATOM 1677 CA GLU A 119 3.422 -5.603 2.352 1.00 23.02 C ATOM 1678 C GLU A 119 2.133 -5.196 1.668 1.00 22.34 C ATOM 1679 O GLU A 119 1.961 -5.392 0.459 1.00 4.42 O ATOM 1680 CB GLU A 119 4.317 -4.381 2.637 1.00 14.05 C ATOM 1681 CG GLU A 119 5.459 -4.683 3.583 1.00 13.45 C ATOM 1682 CD GLU A 119 6.274 -3.476 3.976 1.00 62.30 C ATOM 1683 OE1 GLU A 119 5.755 -2.600 4.695 1.00 52.11 O ATOM 1684 OE2 GLU A 119 7.485 -3.420 3.651 1.00 71.11 O ATOM 0 H GLU A 119 4.315 -6.443 0.642 1.00 2.53 H new ATOM 0 HA GLU A 119 3.159 -6.032 3.319 1.00 23.02 H new ATOM 0 HB2 GLU A 119 4.722 -4.009 1.696 1.00 14.05 H new ATOM 0 HB3 GLU A 119 3.706 -3.583 3.059 1.00 14.05 H new ATOM 0 HG2 GLU A 119 5.056 -5.144 4.485 1.00 13.45 H new ATOM 0 HG3 GLU A 119 6.118 -5.416 3.117 1.00 13.45 H new ATOM 1691 N ALA A 120 1.229 -4.673 2.442 1.00 53.13 N ATOM 1692 CA ALA A 120 -0.054 -4.224 1.960 1.00 44.34 C ATOM 1693 C ALA A 120 -0.365 -2.867 2.552 1.00 31.23 C ATOM 1694 O ALA A 120 -0.492 -2.742 3.753 1.00 74.13 O ATOM 1695 CB ALA A 120 -1.116 -5.225 2.358 1.00 41.51 C ATOM 0 H ALA A 120 1.360 -4.542 3.445 1.00 53.13 H new ATOM 0 HA ALA A 120 -0.034 -4.140 0.873 1.00 44.34 H new ATOM 0 HB1 ALA A 120 -2.087 -4.889 1.995 1.00 41.51 H new ATOM 0 HB2 ALA A 120 -0.882 -6.196 1.922 1.00 41.51 H new ATOM 0 HB3 ALA A 120 -1.145 -5.312 3.444 1.00 41.51 H new ATOM 1701 N GLU A 121 -0.494 -1.875 1.719 1.00 75.42 N ATOM 1702 CA GLU A 121 -0.707 -0.514 2.136 1.00 21.34 C ATOM 1703 C GLU A 121 -2.114 -0.071 1.756 1.00 23.31 C ATOM 1704 O GLU A 121 -2.411 0.068 0.598 1.00 22.10 O ATOM 1705 CB GLU A 121 0.265 0.395 1.378 1.00 10.02 C ATOM 1706 CG GLU A 121 1.736 0.053 1.513 1.00 15.24 C ATOM 1707 CD GLU A 121 2.590 0.964 0.668 1.00 42.25 C ATOM 1708 OE1 GLU A 121 2.692 2.162 0.982 1.00 14.53 O ATOM 1709 OE2 GLU A 121 3.187 0.517 -0.318 1.00 64.14 O ATOM 0 H GLU A 121 -0.453 -1.990 0.706 1.00 75.42 H new ATOM 0 HA GLU A 121 -0.560 -0.450 3.214 1.00 21.34 H new ATOM 0 HB2 GLU A 121 0.003 0.373 0.320 1.00 10.02 H new ATOM 0 HB3 GLU A 121 0.117 1.419 1.722 1.00 10.02 H new ATOM 0 HG2 GLU A 121 2.036 0.135 2.558 1.00 15.24 H new ATOM 0 HG3 GLU A 121 1.900 -0.983 1.215 1.00 15.24 H new ATOM 1716 N ALA A 122 -2.963 0.125 2.697 1.00 12.30 N ATOM 1717 CA ALA A 122 -4.262 0.671 2.409 1.00 33.12 C ATOM 1718 C ALA A 122 -4.254 2.154 2.717 1.00 62.32 C ATOM 1719 O ALA A 122 -3.769 2.574 3.789 1.00 53.45 O ATOM 1720 CB ALA A 122 -5.348 -0.031 3.195 1.00 73.00 C ATOM 0 H ALA A 122 -2.792 -0.082 3.681 1.00 12.30 H new ATOM 0 HA ALA A 122 -4.480 0.516 1.352 1.00 33.12 H new ATOM 0 HB1 ALA A 122 -6.315 0.408 2.951 1.00 73.00 H new ATOM 0 HB2 ALA A 122 -5.356 -1.090 2.939 1.00 73.00 H new ATOM 0 HB3 ALA A 122 -5.156 0.083 4.262 1.00 73.00 H new ATOM 1726 N TYR A 123 -4.746 2.940 1.780 1.00 52.14 N ATOM 1727 CA TYR A 123 -4.803 4.376 1.908 1.00 73.04 C ATOM 1728 C TYR A 123 -6.253 4.801 1.918 1.00 14.23 C ATOM 1729 O TYR A 123 -6.981 4.622 0.925 1.00 21.31 O ATOM 1730 CB TYR A 123 -4.134 5.071 0.712 1.00 43.23 C ATOM 1731 CG TYR A 123 -2.752 4.587 0.362 1.00 2.02 C ATOM 1732 CD1 TYR A 123 -1.624 5.188 0.889 1.00 65.34 C ATOM 1733 CD2 TYR A 123 -2.582 3.539 -0.526 1.00 50.13 C ATOM 1734 CE1 TYR A 123 -0.364 4.753 0.534 1.00 5.45 C ATOM 1735 CE2 TYR A 123 -1.339 3.097 -0.874 1.00 71.25 C ATOM 1736 CZ TYR A 123 -0.231 3.703 -0.345 1.00 31.31 C ATOM 1737 OH TYR A 123 1.020 3.279 -0.721 1.00 43.11 O ATOM 0 H TYR A 123 -5.121 2.591 0.898 1.00 52.14 H new ATOM 0 HA TYR A 123 -4.286 4.655 2.826 1.00 73.04 H new ATOM 0 HB2 TYR A 123 -4.774 4.946 -0.161 1.00 43.23 H new ATOM 0 HB3 TYR A 123 -4.083 6.140 0.919 1.00 43.23 H new ATOM 0 HD1 TYR A 123 -1.730 6.006 1.586 1.00 65.34 H new ATOM 0 HD2 TYR A 123 -3.452 3.061 -0.952 1.00 50.13 H new ATOM 0 HE1 TYR A 123 0.512 5.234 0.943 1.00 5.45 H new ATOM 0 HE2 TYR A 123 -1.230 2.273 -1.564 1.00 71.25 H new ATOM 0 HH TYR A 123 1.603 3.243 0.066 1.00 43.11 H new ATOM 1747 N ILE A 124 -6.681 5.322 2.999 1.00 31.33 N ATOM 1748 CA ILE A 124 -8.034 5.831 3.111 1.00 50.12 C ATOM 1749 C ILE A 124 -7.922 7.319 3.263 1.00 15.52 C ATOM 1750 O ILE A 124 -6.984 7.775 3.896 1.00 45.11 O ATOM 1751 CB ILE A 124 -8.742 5.267 4.366 1.00 44.42 C ATOM 1752 CG1 ILE A 124 -8.766 3.758 4.366 1.00 33.42 C ATOM 1753 CG2 ILE A 124 -10.159 5.794 4.490 1.00 11.33 C ATOM 1754 CD1 ILE A 124 -9.448 3.199 5.603 1.00 50.02 C ATOM 0 H ILE A 124 -6.121 5.419 3.846 1.00 31.33 H new ATOM 0 HA ILE A 124 -8.612 5.541 2.234 1.00 50.12 H new ATOM 0 HB ILE A 124 -8.162 5.606 5.225 1.00 44.42 H new ATOM 0 HG12 ILE A 124 -9.284 3.404 3.475 1.00 33.42 H new ATOM 0 HG13 ILE A 124 -7.745 3.379 4.313 1.00 33.42 H new ATOM 0 HG21 ILE A 124 -10.626 5.377 5.382 1.00 11.33 H new ATOM 0 HG22 ILE A 124 -10.138 6.881 4.566 1.00 11.33 H new ATOM 0 HG23 ILE A 124 -10.734 5.503 3.611 1.00 11.33 H new ATOM 0 HD11 ILE A 124 -9.442 2.110 5.561 1.00 50.02 H new ATOM 0 HD12 ILE A 124 -8.914 3.530 6.494 1.00 50.02 H new ATOM 0 HD13 ILE A 124 -10.477 3.555 5.643 1.00 50.02 H new ATOM 1766 N TRP A 125 -8.822 8.079 2.701 1.00 65.24 N ATOM 1767 CA TRP A 125 -8.740 9.489 2.889 1.00 15.02 C ATOM 1768 C TRP A 125 -10.067 9.995 3.389 1.00 41.15 C ATOM 1769 O TRP A 125 -11.133 9.395 3.117 1.00 13.45 O ATOM 1770 CB TRP A 125 -8.251 10.239 1.607 1.00 41.22 C ATOM 1771 CG TRP A 125 -9.316 10.848 0.714 1.00 64.13 C ATOM 1772 CD1 TRP A 125 -9.546 12.185 0.530 1.00 53.20 C ATOM 1773 CD2 TRP A 125 -10.279 10.168 -0.099 1.00 11.02 C ATOM 1774 NE1 TRP A 125 -10.580 12.373 -0.346 1.00 44.51 N ATOM 1775 CE2 TRP A 125 -11.049 11.155 -0.748 1.00 52.10 C ATOM 1776 CE3 TRP A 125 -10.562 8.833 -0.344 1.00 3.53 C ATOM 1777 CZ2 TRP A 125 -12.081 10.840 -1.621 1.00 63.20 C ATOM 1778 CZ3 TRP A 125 -11.586 8.519 -1.207 1.00 11.30 C ATOM 1779 CH2 TRP A 125 -12.335 9.520 -1.841 1.00 3.42 C ATOM 0 H TRP A 125 -9.598 7.752 2.126 1.00 65.24 H new ATOM 0 HA TRP A 125 -7.980 9.700 3.641 1.00 15.02 H new ATOM 0 HB2 TRP A 125 -7.575 11.035 1.918 1.00 41.22 H new ATOM 0 HB3 TRP A 125 -7.667 9.540 1.008 1.00 41.22 H new ATOM 0 HD1 TRP A 125 -8.990 12.978 1.008 1.00 53.20 H new ATOM 0 HE1 TRP A 125 -10.942 13.277 -0.650 1.00 44.51 H new ATOM 0 HE3 TRP A 125 -9.988 8.053 0.135 1.00 3.53 H new ATOM 0 HZ2 TRP A 125 -12.660 11.611 -2.107 1.00 63.20 H new ATOM 0 HZ3 TRP A 125 -11.817 7.482 -1.400 1.00 11.30 H new ATOM 0 HH2 TRP A 125 -13.129 9.239 -2.517 1.00 3.42 H new ATOM 1790 N ARG A 126 -10.028 11.015 4.173 1.00 32.30 N ATOM 1791 CA ARG A 126 -11.232 11.616 4.612 1.00 61.11 C ATOM 1792 C ARG A 126 -11.559 12.664 3.605 1.00 23.32 C ATOM 1793 O ARG A 126 -10.795 13.624 3.429 1.00 2.53 O ATOM 1794 CB ARG A 126 -11.107 12.220 6.011 1.00 54.05 C ATOM 1795 CG ARG A 126 -12.417 12.764 6.570 1.00 64.25 C ATOM 1796 CD ARG A 126 -12.221 13.421 7.933 1.00 71.13 C ATOM 1797 NE ARG A 126 -11.631 12.502 8.922 1.00 72.52 N ATOM 1798 CZ ARG A 126 -11.813 12.567 10.252 1.00 32.13 C ATOM 1799 NH1 ARG A 126 -12.629 13.470 10.784 1.00 22.34 N ATOM 1800 NH2 ARG A 126 -11.182 11.710 11.039 1.00 74.35 N ATOM 0 H ARG A 126 -9.173 11.449 4.522 1.00 32.30 H new ATOM 0 HA ARG A 126 -12.022 10.869 4.691 1.00 61.11 H new ATOM 0 HB2 ARG A 126 -10.721 11.460 6.691 1.00 54.05 H new ATOM 0 HB3 ARG A 126 -10.373 13.025 5.984 1.00 54.05 H new ATOM 0 HG2 ARG A 126 -12.836 13.490 5.873 1.00 64.25 H new ATOM 0 HG3 ARG A 126 -13.140 11.953 6.658 1.00 64.25 H new ATOM 0 HD2 ARG A 126 -11.577 14.294 7.823 1.00 71.13 H new ATOM 0 HD3 ARG A 126 -13.182 13.779 8.302 1.00 71.13 H new ATOM 0 HE ARG A 126 -11.035 11.754 8.568 1.00 72.52 H new ATOM 0 HH11 ARG A 126 -13.127 14.125 10.181 1.00 22.34 H new ATOM 0 HH12 ARG A 126 -12.758 13.508 11.795 1.00 22.34 H new ATOM 0 HH21 ARG A 126 -10.563 11.007 10.635 1.00 74.35 H new ATOM 0 HH22 ARG A 126 -11.315 11.753 12.049 1.00 74.35 H new ATOM 1814 N ARG A 127 -12.648 12.466 2.924 1.00 42.32 N ATOM 1815 CA ARG A 127 -13.063 13.344 1.890 1.00 4.53 C ATOM 1816 C ARG A 127 -13.437 14.657 2.533 1.00 71.44 C ATOM 1817 O ARG A 127 -13.962 14.670 3.651 1.00 74.20 O ATOM 1818 CB ARG A 127 -14.211 12.683 1.097 1.00 11.35 C ATOM 1819 CG ARG A 127 -14.861 13.539 0.036 1.00 61.24 C ATOM 1820 CD ARG A 127 -15.793 12.726 -0.852 1.00 44.41 C ATOM 1821 NE ARG A 127 -16.748 11.899 -0.085 1.00 3.34 N ATOM 1822 CZ ARG A 127 -18.068 12.100 -0.024 1.00 2.15 C ATOM 1823 NH1 ARG A 127 -18.600 13.241 -0.440 1.00 64.34 N ATOM 1824 NH2 ARG A 127 -18.840 11.182 0.515 1.00 52.44 N ATOM 0 H ARG A 127 -13.276 11.677 3.079 1.00 42.32 H new ATOM 0 HA ARG A 127 -12.274 13.544 1.165 1.00 4.53 H new ATOM 0 HB2 ARG A 127 -13.826 11.781 0.622 1.00 11.35 H new ATOM 0 HB3 ARG A 127 -14.980 12.368 1.803 1.00 11.35 H new ATOM 0 HG2 ARG A 127 -15.422 14.344 0.511 1.00 61.24 H new ATOM 0 HG3 ARG A 127 -14.090 14.006 -0.577 1.00 61.24 H new ATOM 0 HD2 ARG A 127 -16.348 13.402 -1.502 1.00 44.41 H new ATOM 0 HD3 ARG A 127 -15.198 12.080 -1.497 1.00 44.41 H new ATOM 0 HE ARG A 127 -16.369 11.111 0.440 1.00 3.34 H new ATOM 0 HH11 ARG A 127 -18.000 13.978 -0.812 1.00 64.34 H new ATOM 0 HH12 ARG A 127 -19.609 13.382 -0.388 1.00 64.34 H new ATOM 0 HH21 ARG A 127 -18.431 10.323 0.883 1.00 52.44 H new ATOM 0 HH22 ARG A 127 -19.848 11.329 0.565 1.00 52.44 H new ATOM 1838 N LYS A 128 -13.157 15.741 1.859 1.00 52.43 N ATOM 1839 CA LYS A 128 -13.307 17.078 2.408 1.00 24.24 C ATOM 1840 C LYS A 128 -14.772 17.432 2.754 1.00 34.33 C ATOM 1841 O LYS A 128 -15.051 18.431 3.424 1.00 71.40 O ATOM 1842 CB LYS A 128 -12.593 18.102 1.502 1.00 13.21 C ATOM 1843 CG LYS A 128 -12.557 19.522 2.037 1.00 71.33 C ATOM 1844 CD LYS A 128 -11.442 20.338 1.395 1.00 53.35 C ATOM 1845 CE LYS A 128 -11.564 20.440 -0.111 1.00 10.41 C ATOM 1846 NZ LYS A 128 -10.416 21.167 -0.691 1.00 42.13 N ATOM 0 H LYS A 128 -12.813 15.728 0.899 1.00 52.43 H new ATOM 0 HA LYS A 128 -12.809 17.114 3.377 1.00 24.24 H new ATOM 0 HB2 LYS A 128 -11.569 17.766 1.338 1.00 13.21 H new ATOM 0 HB3 LYS A 128 -13.086 18.109 0.530 1.00 13.21 H new ATOM 0 HG2 LYS A 128 -13.516 20.006 1.850 1.00 71.33 H new ATOM 0 HG3 LYS A 128 -12.416 19.500 3.118 1.00 71.33 H new ATOM 0 HD2 LYS A 128 -11.444 21.341 1.821 1.00 53.35 H new ATOM 0 HD3 LYS A 128 -10.482 19.887 1.645 1.00 53.35 H new ATOM 0 HE2 LYS A 128 -11.621 19.441 -0.543 1.00 10.41 H new ATOM 0 HE3 LYS A 128 -12.491 20.952 -0.370 1.00 10.41 H new ATOM 0 HZ1 LYS A 128 -10.526 21.222 -1.724 1.00 42.13 H new ATOM 0 HZ2 LYS A 128 -10.378 22.128 -0.295 1.00 42.13 H new ATOM 0 HZ3 LYS A 128 -9.535 20.663 -0.463 1.00 42.13 H new ATOM 1860 N ASP A 129 -15.695 16.586 2.319 1.00 22.54 N ATOM 1861 CA ASP A 129 -17.107 16.682 2.716 1.00 54.12 C ATOM 1862 C ASP A 129 -17.274 16.274 4.172 1.00 73.05 C ATOM 1863 O ASP A 129 -18.296 16.563 4.802 1.00 52.41 O ATOM 1864 CB ASP A 129 -17.989 15.764 1.870 1.00 3.45 C ATOM 1865 CG ASP A 129 -18.180 16.229 0.459 1.00 51.21 C ATOM 1866 OD1 ASP A 129 -17.441 15.768 -0.443 1.00 4.12 O ATOM 1867 OD2 ASP A 129 -19.088 17.033 0.213 1.00 53.33 O ATOM 0 H ASP A 129 -15.495 15.814 1.683 1.00 22.54 H new ATOM 0 HA ASP A 129 -17.411 17.718 2.568 1.00 54.12 H new ATOM 0 HB2 ASP A 129 -17.549 14.767 1.856 1.00 3.45 H new ATOM 0 HB3 ASP A 129 -18.965 15.675 2.347 1.00 3.45 H new ATOM 1872 N GLY A 130 -16.272 15.604 4.699 1.00 34.45 N ATOM 1873 CA GLY A 130 -16.279 15.187 6.067 1.00 65.31 C ATOM 1874 C GLY A 130 -16.415 13.693 6.215 1.00 64.33 C ATOM 1875 O GLY A 130 -16.060 13.138 7.248 1.00 73.43 O ATOM 0 H GLY A 130 -15.433 15.337 4.183 1.00 34.45 H new ATOM 0 HA2 GLY A 130 -15.357 15.514 6.548 1.00 65.31 H new ATOM 0 HA3 GLY A 130 -17.101 15.677 6.588 1.00 65.31 H new ATOM 1879 N SER A 131 -16.886 13.052 5.182 1.00 31.32 N ATOM 1880 CA SER A 131 -17.102 11.648 5.186 1.00 50.32 C ATOM 1881 C SER A 131 -15.833 11.006 4.666 1.00 2.21 C ATOM 1882 O SER A 131 -15.093 11.625 3.901 1.00 2.14 O ATOM 1883 CB SER A 131 -18.297 11.337 4.285 1.00 32.14 C ATOM 1884 OG SER A 131 -19.420 12.156 4.637 1.00 42.11 O ATOM 0 H SER A 131 -17.132 13.506 4.303 1.00 31.32 H new ATOM 0 HA SER A 131 -17.324 11.264 6.182 1.00 50.32 H new ATOM 0 HB2 SER A 131 -18.028 11.508 3.243 1.00 32.14 H new ATOM 0 HB3 SER A 131 -18.565 10.284 4.377 1.00 32.14 H new ATOM 0 HG SER A 131 -20.176 11.945 4.049 1.00 42.11 H new ATOM 1890 N CYS A 132 -15.569 9.828 5.063 1.00 62.11 N ATOM 1891 CA CYS A 132 -14.337 9.190 4.716 1.00 21.43 C ATOM 1892 C CYS A 132 -14.589 8.036 3.748 1.00 52.42 C ATOM 1893 O CYS A 132 -15.692 7.485 3.706 1.00 4.32 O ATOM 1894 CB CYS A 132 -13.651 8.737 5.995 1.00 40.44 C ATOM 1895 SG CYS A 132 -11.954 8.193 5.802 1.00 44.41 S ATOM 0 H CYS A 132 -16.193 9.264 5.640 1.00 62.11 H new ATOM 0 HA CYS A 132 -13.677 9.887 4.200 1.00 21.43 H new ATOM 0 HB2 CYS A 132 -13.673 9.559 6.710 1.00 40.44 H new ATOM 0 HB3 CYS A 132 -14.230 7.922 6.429 1.00 40.44 H new ATOM 0 HG CYS A 132 -11.534 8.496 4.610 1.00 44.41 H new ATOM 1901 N TRP A 133 -13.601 7.708 2.933 1.00 70.53 N ATOM 1902 CA TRP A 133 -13.734 6.666 1.941 1.00 73.34 C ATOM 1903 C TRP A 133 -12.343 6.166 1.579 1.00 24.44 C ATOM 1904 O TRP A 133 -11.362 6.872 1.799 1.00 52.24 O ATOM 1905 CB TRP A 133 -14.434 7.228 0.700 1.00 20.53 C ATOM 1906 CG TRP A 133 -15.144 6.201 -0.122 1.00 73.34 C ATOM 1907 CD1 TRP A 133 -16.083 5.341 0.329 1.00 23.15 C ATOM 1908 CD2 TRP A 133 -15.025 5.962 -1.532 1.00 70.44 C ATOM 1909 NE1 TRP A 133 -16.547 4.563 -0.691 1.00 73.20 N ATOM 1910 CE2 TRP A 133 -15.918 4.928 -1.849 1.00 44.24 C ATOM 1911 CE3 TRP A 133 -14.254 6.514 -2.552 1.00 42.20 C ATOM 1912 CZ2 TRP A 133 -16.060 4.437 -3.140 1.00 61.11 C ATOM 1913 CZ3 TRP A 133 -14.398 6.027 -3.834 1.00 51.21 C ATOM 1914 CH2 TRP A 133 -15.293 4.999 -4.117 1.00 20.31 C ATOM 0 H TRP A 133 -12.686 8.159 2.944 1.00 70.53 H new ATOM 0 HA TRP A 133 -14.330 5.842 2.333 1.00 73.34 H new ATOM 0 HB2 TRP A 133 -15.152 7.986 1.014 1.00 20.53 H new ATOM 0 HB3 TRP A 133 -13.694 7.729 0.075 1.00 20.53 H new ATOM 0 HD1 TRP A 133 -16.419 5.278 1.353 1.00 23.15 H new ATOM 0 HE1 TRP A 133 -17.249 3.828 -0.604 1.00 73.20 H new ATOM 0 HE3 TRP A 133 -13.555 7.310 -2.342 1.00 42.20 H new ATOM 0 HZ2 TRP A 133 -16.753 3.639 -3.362 1.00 61.11 H new ATOM 0 HZ3 TRP A 133 -13.806 6.450 -4.632 1.00 51.21 H new ATOM 0 HH2 TRP A 133 -15.382 4.639 -5.131 1.00 20.31 H new ATOM 1925 N LEU A 134 -12.243 4.945 1.093 1.00 4.24 N ATOM 1926 CA LEU A 134 -10.963 4.400 0.680 1.00 74.24 C ATOM 1927 C LEU A 134 -10.452 5.134 -0.524 1.00 72.03 C ATOM 1928 O LEU A 134 -11.180 5.325 -1.502 1.00 64.15 O ATOM 1929 CB LEU A 134 -11.021 2.892 0.378 1.00 64.12 C ATOM 1930 CG LEU A 134 -10.968 1.927 1.569 1.00 24.15 C ATOM 1931 CD1 LEU A 134 -12.166 2.068 2.491 1.00 41.45 C ATOM 1932 CD2 LEU A 134 -10.821 0.500 1.072 1.00 20.45 C ATOM 0 H LEU A 134 -13.032 4.310 0.974 1.00 4.24 H new ATOM 0 HA LEU A 134 -10.282 4.535 1.520 1.00 74.24 H new ATOM 0 HB2 LEU A 134 -11.940 2.695 -0.173 1.00 64.12 H new ATOM 0 HB3 LEU A 134 -10.192 2.650 -0.287 1.00 64.12 H new ATOM 0 HG LEU A 134 -10.094 2.189 2.166 1.00 24.15 H new ATOM 0 HD11 LEU A 134 -12.076 1.361 3.316 1.00 41.45 H new ATOM 0 HD12 LEU A 134 -12.204 3.083 2.886 1.00 41.45 H new ATOM 0 HD13 LEU A 134 -13.080 1.861 1.934 1.00 41.45 H new ATOM 0 HD21 LEU A 134 -10.784 -0.180 1.923 1.00 20.45 H new ATOM 0 HD22 LEU A 134 -11.672 0.245 0.441 1.00 20.45 H new ATOM 0 HD23 LEU A 134 -9.901 0.409 0.495 1.00 20.45 H new ATOM 1944 N HIS A 135 -9.220 5.553 -0.450 1.00 34.13 N ATOM 1945 CA HIS A 135 -8.612 6.270 -1.524 1.00 75.54 C ATOM 1946 C HIS A 135 -8.135 5.256 -2.524 1.00 23.33 C ATOM 1947 O HIS A 135 -8.592 5.210 -3.669 1.00 51.41 O ATOM 1948 CB HIS A 135 -7.418 7.104 -1.007 1.00 40.34 C ATOM 1949 CG HIS A 135 -6.792 8.031 -2.021 1.00 42.34 C ATOM 1950 ND1 HIS A 135 -6.033 7.616 -3.105 1.00 73.32 N ATOM 1951 CD2 HIS A 135 -6.818 9.384 -2.089 1.00 40.14 C ATOM 1952 CE1 HIS A 135 -5.631 8.695 -3.766 1.00 12.34 C ATOM 1953 NE2 HIS A 135 -6.081 9.804 -3.193 1.00 24.51 N ATOM 0 H HIS A 135 -8.614 5.405 0.357 1.00 34.13 H new ATOM 0 HA HIS A 135 -9.327 6.957 -1.977 1.00 75.54 H new ATOM 0 HB2 HIS A 135 -7.751 7.696 -0.155 1.00 40.34 H new ATOM 0 HB3 HIS A 135 -6.651 6.422 -0.640 1.00 40.34 H new ATOM 0 HD2 HIS A 135 -7.330 10.035 -1.396 1.00 40.14 H new ATOM 0 HE1 HIS A 135 -5.017 8.673 -4.655 1.00 12.34 H new ATOM 0 HE2 HIS A 135 -5.920 10.764 -3.498 1.00 24.51 H new ATOM 1961 N SER A 136 -7.263 4.401 -2.066 1.00 73.34 N ATOM 1962 CA SER A 136 -6.634 3.400 -2.884 1.00 25.45 C ATOM 1963 C SER A 136 -5.956 2.448 -1.941 1.00 1.25 C ATOM 1964 O SER A 136 -5.758 2.781 -0.789 1.00 64.12 O ATOM 1965 CB SER A 136 -5.543 4.032 -3.793 1.00 53.51 C ATOM 1966 OG SER A 136 -6.015 5.164 -4.521 1.00 52.22 O ATOM 0 H SER A 136 -6.963 4.380 -1.091 1.00 73.34 H new ATOM 0 HA SER A 136 -7.376 2.914 -3.518 1.00 25.45 H new ATOM 0 HB2 SER A 136 -4.693 4.330 -3.179 1.00 53.51 H new ATOM 0 HB3 SER A 136 -5.181 3.280 -4.494 1.00 53.51 H new ATOM 0 HG SER A 136 -5.909 5.971 -3.975 1.00 52.22 H new ATOM 1972 N VAL A 137 -5.647 1.284 -2.377 1.00 25.22 N ATOM 1973 CA VAL A 137 -4.840 0.404 -1.582 1.00 73.33 C ATOM 1974 C VAL A 137 -3.783 -0.154 -2.503 1.00 21.33 C ATOM 1975 O VAL A 137 -3.992 -0.214 -3.704 1.00 72.54 O ATOM 1976 CB VAL A 137 -5.633 -0.740 -0.837 1.00 72.32 C ATOM 1977 CG1 VAL A 137 -6.860 -0.224 -0.096 1.00 12.31 C ATOM 1978 CG2 VAL A 137 -5.993 -1.878 -1.733 1.00 74.35 C ATOM 0 H VAL A 137 -5.936 0.908 -3.280 1.00 25.22 H new ATOM 0 HA VAL A 137 -4.408 0.975 -0.760 1.00 73.33 H new ATOM 0 HB VAL A 137 -4.939 -1.124 -0.090 1.00 72.32 H new ATOM 0 HG11 VAL A 137 -7.364 -1.056 0.396 1.00 12.31 H new ATOM 0 HG12 VAL A 137 -6.553 0.508 0.651 1.00 12.31 H new ATOM 0 HG13 VAL A 137 -7.542 0.246 -0.805 1.00 12.31 H new ATOM 0 HG21 VAL A 137 -6.536 -2.632 -1.163 1.00 74.35 H new ATOM 0 HG22 VAL A 137 -6.621 -1.516 -2.547 1.00 74.35 H new ATOM 0 HG23 VAL A 137 -5.085 -2.319 -2.144 1.00 74.35 H new ATOM 1988 N LYS A 138 -2.676 -0.498 -1.980 1.00 61.23 N ATOM 1989 CA LYS A 138 -1.567 -0.940 -2.753 1.00 5.32 C ATOM 1990 C LYS A 138 -0.929 -2.137 -2.098 1.00 45.22 C ATOM 1991 O LYS A 138 -0.646 -2.125 -0.929 1.00 72.54 O ATOM 1992 CB LYS A 138 -0.588 0.227 -2.837 1.00 0.43 C ATOM 1993 CG LYS A 138 0.746 -0.033 -3.491 1.00 52.22 C ATOM 1994 CD LYS A 138 1.510 1.275 -3.576 1.00 31.33 C ATOM 1995 CE LYS A 138 2.955 1.082 -3.956 1.00 64.04 C ATOM 1996 NZ LYS A 138 3.715 0.390 -2.896 1.00 61.43 N ATOM 0 H LYS A 138 -2.501 -0.483 -0.975 1.00 61.23 H new ATOM 0 HA LYS A 138 -1.876 -1.244 -3.753 1.00 5.32 H new ATOM 0 HB2 LYS A 138 -1.076 1.038 -3.378 1.00 0.43 H new ATOM 0 HB3 LYS A 138 -0.403 0.585 -1.824 1.00 0.43 H new ATOM 0 HG2 LYS A 138 1.313 -0.765 -2.915 1.00 52.22 H new ATOM 0 HG3 LYS A 138 0.603 -0.452 -4.487 1.00 52.22 H new ATOM 0 HD2 LYS A 138 1.030 1.924 -4.308 1.00 31.33 H new ATOM 0 HD3 LYS A 138 1.457 1.785 -2.614 1.00 31.33 H new ATOM 0 HE2 LYS A 138 3.014 0.506 -4.880 1.00 64.04 H new ATOM 0 HE3 LYS A 138 3.411 2.052 -4.155 1.00 64.04 H new ATOM 0 HZ1 LYS A 138 4.718 0.337 -3.166 1.00 61.43 H new ATOM 0 HZ2 LYS A 138 3.624 0.917 -2.004 1.00 61.43 H new ATOM 0 HZ3 LYS A 138 3.339 -0.571 -2.770 1.00 61.43 H new ATOM 2010 N PHE A 139 -0.713 -3.149 -2.850 1.00 63.12 N ATOM 2011 CA PHE A 139 -0.084 -4.332 -2.367 1.00 51.14 C ATOM 2012 C PHE A 139 1.255 -4.433 -2.985 1.00 24.40 C ATOM 2013 O PHE A 139 1.435 -4.050 -4.148 1.00 65.21 O ATOM 2014 CB PHE A 139 -0.913 -5.559 -2.709 1.00 62.40 C ATOM 2015 CG PHE A 139 -2.257 -5.507 -2.088 1.00 71.11 C ATOM 2016 CD1 PHE A 139 -3.367 -5.155 -2.824 1.00 14.32 C ATOM 2017 CD2 PHE A 139 -2.401 -5.775 -0.753 1.00 14.03 C ATOM 2018 CE1 PHE A 139 -4.599 -5.076 -2.221 1.00 52.31 C ATOM 2019 CE2 PHE A 139 -3.624 -5.702 -0.145 1.00 12.00 C ATOM 2020 CZ PHE A 139 -4.728 -5.351 -0.877 1.00 14.43 C ATOM 0 H PHE A 139 -0.970 -3.186 -3.836 1.00 63.12 H new ATOM 0 HA PHE A 139 0.006 -4.282 -1.282 1.00 51.14 H new ATOM 0 HB2 PHE A 139 -1.016 -5.638 -3.791 1.00 62.40 H new ATOM 0 HB3 PHE A 139 -0.392 -6.455 -2.372 1.00 62.40 H new ATOM 0 HD1 PHE A 139 -3.269 -4.941 -3.878 1.00 14.32 H new ATOM 0 HD2 PHE A 139 -1.534 -6.049 -0.170 1.00 14.03 H new ATOM 0 HE1 PHE A 139 -5.467 -4.798 -2.801 1.00 52.31 H new ATOM 0 HE2 PHE A 139 -3.719 -5.920 0.908 1.00 12.00 H new ATOM 0 HZ PHE A 139 -5.696 -5.290 -0.402 1.00 14.43 H new ATOM 2030 N ILE A 140 2.193 -4.899 -2.244 1.00 65.00 N ATOM 2031 CA ILE A 140 3.523 -5.045 -2.729 1.00 63.42 C ATOM 2032 C ILE A 140 4.077 -6.335 -2.260 1.00 23.14 C ATOM 2033 O ILE A 140 4.515 -6.476 -1.116 1.00 62.12 O ATOM 2034 CB ILE A 140 4.449 -3.860 -2.327 1.00 31.43 C ATOM 2035 CG1 ILE A 140 4.093 -3.338 -0.917 1.00 13.40 C ATOM 2036 CG2 ILE A 140 4.390 -2.758 -3.371 1.00 21.41 C ATOM 2037 CD1 ILE A 140 5.003 -2.258 -0.381 1.00 73.33 C ATOM 0 H ILE A 140 2.062 -5.193 -1.276 1.00 65.00 H new ATOM 0 HA ILE A 140 3.482 -5.036 -3.818 1.00 63.42 H new ATOM 0 HB ILE A 140 5.477 -4.219 -2.288 1.00 31.43 H new ATOM 0 HG12 ILE A 140 3.073 -2.954 -0.936 1.00 13.40 H new ATOM 0 HG13 ILE A 140 4.105 -4.178 -0.223 1.00 13.40 H new ATOM 0 HG21 ILE A 140 5.044 -1.939 -3.072 1.00 21.41 H new ATOM 0 HG22 ILE A 140 4.717 -3.151 -4.334 1.00 21.41 H new ATOM 0 HG23 ILE A 140 3.367 -2.393 -3.457 1.00 21.41 H new ATOM 0 HD11 ILE A 140 4.669 -1.961 0.613 1.00 73.33 H new ATOM 0 HD12 ILE A 140 6.023 -2.638 -0.322 1.00 73.33 H new ATOM 0 HD13 ILE A 140 4.975 -1.395 -1.047 1.00 73.33 H new ATOM 2049 N MET A 141 4.023 -7.291 -3.111 1.00 41.31 N ATOM 2050 CA MET A 141 4.517 -8.568 -2.773 1.00 64.51 C ATOM 2051 C MET A 141 5.935 -8.665 -3.216 1.00 35.23 C ATOM 2052 O MET A 141 6.296 -8.160 -4.291 1.00 45.22 O ATOM 2053 CB MET A 141 3.633 -9.705 -3.324 1.00 71.13 C ATOM 2054 CG MET A 141 3.511 -9.758 -4.834 1.00 62.43 C ATOM 2055 SD MET A 141 2.311 -10.983 -5.404 1.00 2.21 S ATOM 2056 CE MET A 141 0.792 -10.354 -4.674 1.00 71.21 C ATOM 0 H MET A 141 3.639 -7.210 -4.052 1.00 41.31 H new ATOM 0 HA MET A 141 4.482 -8.693 -1.691 1.00 64.51 H new ATOM 0 HB2 MET A 141 4.034 -10.656 -2.975 1.00 71.13 H new ATOM 0 HB3 MET A 141 2.634 -9.605 -2.899 1.00 71.13 H new ATOM 0 HG2 MET A 141 3.221 -8.775 -5.204 1.00 62.43 H new ATOM 0 HG3 MET A 141 4.486 -9.986 -5.264 1.00 62.43 H new ATOM 0 HE1 MET A 141 -0.023 -10.449 -5.392 1.00 71.21 H new ATOM 0 HE2 MET A 141 0.555 -10.927 -3.778 1.00 71.21 H new ATOM 0 HE3 MET A 141 0.923 -9.305 -4.410 1.00 71.21 H new ATOM 2066 N SER A 142 6.726 -9.222 -2.353 1.00 21.44 N ATOM 2067 CA SER A 142 8.144 -9.418 -2.544 1.00 72.33 C ATOM 2068 C SER A 142 8.902 -8.149 -2.228 1.00 52.21 C ATOM 2069 O SER A 142 9.330 -7.403 -3.117 1.00 63.02 O ATOM 2070 CB SER A 142 8.520 -10.015 -3.938 1.00 65.32 C ATOM 2071 OG SER A 142 9.909 -10.329 -4.033 1.00 63.32 O ATOM 0 H SER A 142 6.394 -9.571 -1.454 1.00 21.44 H new ATOM 0 HA SER A 142 8.454 -10.184 -1.833 1.00 72.33 H new ATOM 0 HB2 SER A 142 7.933 -10.916 -4.116 1.00 65.32 H new ATOM 0 HB3 SER A 142 8.256 -9.303 -4.720 1.00 65.32 H new ATOM 0 HG SER A 142 10.100 -10.701 -4.919 1.00 63.32 H new ATOM 2077 N LYS A 143 8.989 -7.879 -0.966 1.00 2.42 N ATOM 2078 CA LYS A 143 9.739 -6.793 -0.456 1.00 45.42 C ATOM 2079 C LYS A 143 10.891 -7.319 0.320 1.00 35.51 C ATOM 2080 O LYS A 143 10.774 -8.340 1.030 1.00 21.42 O ATOM 2081 CB LYS A 143 8.883 -5.852 0.392 1.00 63.30 C ATOM 2082 CG LYS A 143 8.141 -4.803 -0.411 1.00 3.33 C ATOM 2083 CD LYS A 143 9.102 -3.744 -0.957 1.00 24.03 C ATOM 2084 CE LYS A 143 8.373 -2.700 -1.786 1.00 35.51 C ATOM 2085 NZ LYS A 143 9.276 -1.631 -2.268 1.00 25.24 N ATOM 0 H LYS A 143 8.523 -8.429 -0.245 1.00 2.42 H new ATOM 0 HA LYS A 143 10.107 -6.201 -1.294 1.00 45.42 H new ATOM 0 HB2 LYS A 143 8.160 -6.443 0.955 1.00 63.30 H new ATOM 0 HB3 LYS A 143 9.522 -5.353 1.120 1.00 63.30 H new ATOM 0 HG2 LYS A 143 7.613 -5.279 -1.237 1.00 3.33 H new ATOM 0 HG3 LYS A 143 7.388 -4.326 0.216 1.00 3.33 H new ATOM 0 HD2 LYS A 143 9.616 -3.257 -0.128 1.00 24.03 H new ATOM 0 HD3 LYS A 143 9.866 -4.225 -1.568 1.00 24.03 H new ATOM 0 HE2 LYS A 143 7.899 -3.184 -2.640 1.00 35.51 H new ATOM 0 HE3 LYS A 143 7.576 -2.257 -1.188 1.00 35.51 H new ATOM 0 HZ1 LYS A 143 8.732 -0.944 -2.828 1.00 25.24 H new ATOM 0 HZ2 LYS A 143 9.709 -1.149 -1.454 1.00 25.24 H new ATOM 0 HZ3 LYS A 143 10.022 -2.048 -2.861 1.00 25.24 H new ATOM 2099 N ALA A 144 11.997 -6.686 0.131 1.00 11.31 N ATOM 2100 CA ALA A 144 13.211 -7.018 0.793 1.00 51.31 C ATOM 2101 C ALA A 144 14.047 -5.774 0.889 1.00 43.21 C ATOM 2102 O ALA A 144 13.888 -4.850 0.083 1.00 24.33 O ATOM 2103 CB ALA A 144 13.959 -8.098 0.028 1.00 33.21 C ATOM 0 H ALA A 144 12.084 -5.897 -0.510 1.00 11.31 H new ATOM 0 HA ALA A 144 12.996 -7.405 1.789 1.00 51.31 H new ATOM 0 HB1 ALA A 144 14.885 -8.339 0.550 1.00 33.21 H new ATOM 0 HB2 ALA A 144 13.338 -8.991 -0.040 1.00 33.21 H new ATOM 0 HB3 ALA A 144 14.191 -7.739 -0.975 1.00 33.21 H new ATOM 2109 N ALA A 145 14.879 -5.721 1.875 1.00 61.14 N ATOM 2110 CA ALA A 145 15.784 -4.624 2.067 1.00 21.50 C ATOM 2111 C ALA A 145 17.175 -5.202 2.194 1.00 32.23 C ATOM 2112 O ALA A 145 17.287 -6.400 2.468 1.00 54.12 O ATOM 2113 CB ALA A 145 15.399 -3.867 3.329 1.00 53.11 C ATOM 0 H ALA A 145 14.955 -6.449 2.586 1.00 61.14 H new ATOM 0 HA ALA A 145 15.745 -3.927 1.230 1.00 21.50 H new ATOM 0 HB1 ALA A 145 16.085 -3.033 3.477 1.00 53.11 H new ATOM 0 HB2 ALA A 145 14.382 -3.487 3.229 1.00 53.11 H new ATOM 0 HB3 ALA A 145 15.453 -4.538 4.186 1.00 53.11 H new ATOM 2119 N PRO A 146 18.253 -4.403 1.939 1.00 41.25 N ATOM 2120 CA PRO A 146 19.639 -4.868 2.114 1.00 73.14 C ATOM 2121 C PRO A 146 19.813 -5.516 3.486 1.00 73.41 C ATOM 2122 O PRO A 146 19.437 -4.920 4.519 1.00 52.23 O ATOM 2123 CB PRO A 146 20.453 -3.576 2.025 1.00 72.12 C ATOM 2124 CG PRO A 146 19.645 -2.689 1.148 1.00 34.44 C ATOM 2125 CD PRO A 146 18.205 -3.012 1.438 1.00 45.45 C ATOM 0 HA PRO A 146 19.939 -5.616 1.381 1.00 73.14 H new ATOM 0 HB2 PRO A 146 20.603 -3.132 3.009 1.00 72.12 H new ATOM 0 HB3 PRO A 146 21.442 -3.758 1.604 1.00 72.12 H new ATOM 0 HG2 PRO A 146 19.858 -1.640 1.353 1.00 34.44 H new ATOM 0 HG3 PRO A 146 19.879 -2.862 0.098 1.00 34.44 H new ATOM 0 HD2 PRO A 146 17.784 -2.333 2.180 1.00 45.45 H new ATOM 0 HD3 PRO A 146 17.588 -2.929 0.543 1.00 45.45 H new ATOM 2133 N TYR A 147 20.376 -6.715 3.497 1.00 21.33 N ATOM 2134 CA TYR A 147 20.444 -7.523 4.690 1.00 30.52 C ATOM 2135 C TYR A 147 21.281 -6.890 5.796 1.00 51.31 C ATOM 2136 O TYR A 147 22.163 -6.051 5.546 1.00 4.22 O ATOM 2137 CB TYR A 147 20.947 -8.945 4.368 1.00 21.31 C ATOM 2138 CG TYR A 147 22.455 -9.156 4.314 1.00 71.33 C ATOM 2139 CD1 TYR A 147 23.184 -8.909 3.162 1.00 43.21 C ATOM 2140 CD2 TYR A 147 23.133 -9.651 5.423 1.00 11.23 C ATOM 2141 CE1 TYR A 147 24.544 -9.148 3.118 1.00 71.01 C ATOM 2142 CE2 TYR A 147 24.487 -9.883 5.388 1.00 35.03 C ATOM 2143 CZ TYR A 147 25.189 -9.633 4.234 1.00 35.00 C ATOM 2144 OH TYR A 147 26.541 -9.883 4.190 1.00 74.32 O ATOM 0 H TYR A 147 20.797 -7.149 2.675 1.00 21.33 H new ATOM 0 HA TYR A 147 19.425 -7.589 5.072 1.00 30.52 H new ATOM 0 HB2 TYR A 147 20.538 -9.625 5.115 1.00 21.31 H new ATOM 0 HB3 TYR A 147 20.530 -9.241 3.405 1.00 21.31 H new ATOM 0 HD1 TYR A 147 22.682 -8.524 2.286 1.00 43.21 H new ATOM 0 HD2 TYR A 147 22.584 -9.857 6.330 1.00 11.23 H new ATOM 0 HE1 TYR A 147 25.099 -8.955 2.212 1.00 71.01 H new ATOM 0 HE2 TYR A 147 24.996 -10.260 6.263 1.00 35.03 H new ATOM 0 HH TYR A 147 26.840 -10.220 5.060 1.00 74.32 H new ATOM 2154 N VAL A 148 20.999 -7.293 6.999 1.00 33.22 N ATOM 2155 CA VAL A 148 21.718 -6.871 8.164 1.00 32.43 C ATOM 2156 C VAL A 148 22.126 -8.102 8.953 1.00 74.30 C ATOM 2157 O VAL A 148 21.470 -9.151 8.876 1.00 1.40 O ATOM 2158 CB VAL A 148 20.887 -5.904 9.072 1.00 14.45 C ATOM 2159 CG1 VAL A 148 20.654 -4.574 8.377 1.00 44.43 C ATOM 2160 CG2 VAL A 148 19.550 -6.522 9.459 1.00 10.50 C ATOM 0 H VAL A 148 20.240 -7.943 7.203 1.00 33.22 H new ATOM 0 HA VAL A 148 22.594 -6.312 7.835 1.00 32.43 H new ATOM 0 HB VAL A 148 21.466 -5.733 9.979 1.00 14.45 H new ATOM 0 HG11 VAL A 148 20.074 -3.920 9.028 1.00 44.43 H new ATOM 0 HG12 VAL A 148 21.613 -4.107 8.154 1.00 44.43 H new ATOM 0 HG13 VAL A 148 20.107 -4.739 7.449 1.00 44.43 H new ATOM 0 HG21 VAL A 148 18.996 -5.826 10.089 1.00 10.50 H new ATOM 0 HG22 VAL A 148 18.973 -6.734 8.559 1.00 10.50 H new ATOM 0 HG23 VAL A 148 19.722 -7.449 10.006 1.00 10.50 H new ATOM 2170 N ALA A 149 23.207 -8.001 9.643 1.00 70.53 N ATOM 2171 CA ALA A 149 23.690 -9.070 10.459 1.00 45.31 C ATOM 2172 C ALA A 149 23.537 -8.664 11.904 1.00 51.34 C ATOM 2173 O ALA A 149 22.529 -9.047 12.531 1.00 51.12 O ATOM 2174 CB ALA A 149 25.141 -9.388 10.121 1.00 13.45 C ATOM 0 H ALA A 149 23.792 -7.165 9.660 1.00 70.53 H new ATOM 0 HA ALA A 149 23.114 -9.977 10.274 1.00 45.31 H new ATOM 0 HB1 ALA A 149 25.491 -10.204 10.753 1.00 13.45 H new ATOM 0 HB2 ALA A 149 25.215 -9.682 9.074 1.00 13.45 H new ATOM 0 HB3 ALA A 149 25.757 -8.505 10.294 1.00 13.45 H new TER 2180 ALA A 149