USER MOD reduce.3.24.130724 H: found=0, std=0, add=1083, rem=0, adj=30 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= 0.303 K(o=-0.0051,f=-0.65) USER MOD Set 1.2: A 136 SER OG : rot 88:sc= -0.308 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -84:sc= 1.26 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 -81:sc= 1.25 USER MOD Single : A 34 LYS NZ :NH3+ -159:sc= 1.21 (180deg=0.827) USER MOD Single : A 35 SER OG : rot 180:sc= 0.0785 USER MOD Single : A 38 SER OG : rot -170:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.376 K(o=0.38,f=-7.1!) USER MOD Single : A 41 SER OG : rot -170:sc= -1.42 USER MOD Single : A 43 HIS : no HD1:sc= -0.0788 X(o=-0.079,f=-0.00042) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 HIS : no HE2:sc= -0.581 K(o=-0.58,f=-1.6!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.188 K(o=0.19,f=-2.4) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.115 X(o=-0.11,f=-0.6) USER MOD Single : A 64 THR OG1 : rot 55:sc= 0.12 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.33 X(o=-0.33,f=0) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 78 LYS NZ :NH3+ -165:sc= -0.0272 (180deg=-0.235) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 174:sc=-0.00113 (180deg=-0.074) USER MOD Single : A 94 LYS NZ :NH3+ -169:sc= 0.45 (180deg=-0.139) USER MOD Single : A 99 TYR OH : rot 165:sc= 0.562 USER MOD Single : A 100 LYS NZ :NH3+ -174:sc= 1.24 (180deg=1.16) USER MOD Single : A 104 LYS NZ :NH3+ -155:sc= -2.1! (180deg=-3.82!) USER MOD Single : A 105 SER OG : rot -171:sc= 2.27 USER MOD Single : A 108 GLN : amide:sc= 0.332 K(o=0.33,f=-0.37) USER MOD Single : A 110 SER OG : rot -138:sc= 0.592 USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 113 GLN : amide:sc= 0 K(o=0,f=0.56) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 TYR OH : rot -130:sc= 0.554 USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot -115:sc= 0.364 USER MOD Single : A 132 CYS SG : rot 122:sc= -3.99! USER MOD Single : A 138 LYS NZ :NH3+ -174:sc= 0.988 (180deg=0.979) USER MOD Single : A 141 MET CE :methyl -160:sc= -0.0888 (180deg=-0.983) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 143 LYS NZ :NH3+ 172:sc= -1.17 (180deg=-1.55) USER MOD Single : A 147 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 14 -26.785 8.498 10.715 1.00 11.00 N ATOM 2 CA ASP A 14 -25.415 7.979 10.670 1.00 43.05 C ATOM 3 C ASP A 14 -24.712 8.524 9.453 1.00 21.33 C ATOM 4 O ASP A 14 -25.163 9.521 8.878 1.00 22.45 O ATOM 5 CB ASP A 14 -25.423 6.448 10.676 1.00 71.23 C ATOM 6 CG ASP A 14 -26.039 5.912 11.936 1.00 31.44 C ATOM 7 OD1 ASP A 14 -25.349 5.239 12.727 1.00 74.00 O ATOM 8 OD2 ASP A 14 -27.215 6.211 12.187 1.00 40.32 O ATOM 0 HA ASP A 14 -24.872 8.305 11.557 1.00 43.05 H new ATOM 0 HB2 ASP A 14 -25.978 6.081 9.813 1.00 71.23 H new ATOM 0 HB3 ASP A 14 -24.403 6.076 10.580 1.00 71.23 H new ATOM 13 N MET A 15 -23.570 7.913 9.092 1.00 14.20 N ATOM 14 CA MET A 15 -22.749 8.293 7.925 1.00 43.44 C ATOM 15 C MET A 15 -22.084 9.669 8.165 1.00 30.24 C ATOM 16 O MET A 15 -21.529 10.307 7.251 1.00 75.14 O ATOM 17 CB MET A 15 -23.598 8.259 6.627 1.00 30.52 C ATOM 18 CG MET A 15 -22.802 8.377 5.346 1.00 3.44 C ATOM 19 SD MET A 15 -23.842 8.334 3.864 1.00 61.45 S ATOM 20 CE MET A 15 -22.592 8.465 2.584 1.00 44.42 C ATOM 0 H MET A 15 -23.183 7.126 9.612 1.00 14.20 H new ATOM 0 HA MET A 15 -21.947 7.566 7.795 1.00 43.44 H new ATOM 0 HB2 MET A 15 -24.163 7.327 6.603 1.00 30.52 H new ATOM 0 HB3 MET A 15 -24.324 9.071 6.663 1.00 30.52 H new ATOM 0 HG2 MET A 15 -22.237 9.309 5.360 1.00 3.44 H new ATOM 0 HG3 MET A 15 -22.077 7.565 5.299 1.00 3.44 H new ATOM 0 HE1 MET A 15 -23.071 8.453 1.605 1.00 44.42 H new ATOM 0 HE2 MET A 15 -22.042 9.398 2.707 1.00 44.42 H new ATOM 0 HE3 MET A 15 -21.903 7.624 2.661 1.00 44.42 H new ATOM 30 N VAL A 16 -22.091 10.069 9.424 1.00 11.33 N ATOM 31 CA VAL A 16 -21.539 11.337 9.850 1.00 2.23 C ATOM 32 C VAL A 16 -20.030 11.214 9.792 1.00 55.22 C ATOM 33 O VAL A 16 -19.493 10.279 10.355 1.00 22.12 O ATOM 34 CB VAL A 16 -21.970 11.679 11.300 1.00 64.15 C ATOM 35 CG1 VAL A 16 -21.590 13.099 11.658 1.00 42.04 C ATOM 36 CG2 VAL A 16 -23.459 11.460 11.500 1.00 64.34 C ATOM 0 H VAL A 16 -22.485 9.515 10.185 1.00 11.33 H new ATOM 0 HA VAL A 16 -21.902 12.133 9.200 1.00 2.23 H new ATOM 0 HB VAL A 16 -21.437 11.002 11.968 1.00 64.15 H new ATOM 0 HG11 VAL A 16 -21.904 13.313 12.680 1.00 42.04 H new ATOM 0 HG12 VAL A 16 -20.509 13.218 11.578 1.00 42.04 H new ATOM 0 HG13 VAL A 16 -22.083 13.791 10.975 1.00 42.04 H new ATOM 0 HG21 VAL A 16 -23.729 11.709 12.526 1.00 64.34 H new ATOM 0 HG22 VAL A 16 -24.016 12.098 10.814 1.00 64.34 H new ATOM 0 HG23 VAL A 16 -23.703 10.416 11.304 1.00 64.34 H new ATOM 46 N THR A 17 -19.390 12.171 9.153 1.00 32.33 N ATOM 47 CA THR A 17 -17.970 12.169 8.800 1.00 41.44 C ATOM 48 C THR A 17 -17.026 11.448 9.808 1.00 44.30 C ATOM 49 O THR A 17 -16.458 10.398 9.484 1.00 72.32 O ATOM 50 CB THR A 17 -17.532 13.618 8.598 1.00 13.03 C ATOM 51 OG1 THR A 17 -18.518 14.262 7.776 1.00 73.01 O ATOM 52 CG2 THR A 17 -16.176 13.690 7.910 1.00 0.43 C ATOM 0 H THR A 17 -19.864 13.020 8.846 1.00 32.33 H new ATOM 0 HA THR A 17 -17.876 11.581 7.887 1.00 41.44 H new ATOM 0 HB THR A 17 -17.442 14.110 9.567 1.00 13.03 H new ATOM 0 HG1 THR A 17 -18.328 14.078 6.832 1.00 73.01 H new ATOM 0 HG21 THR A 17 -15.889 14.733 7.779 1.00 0.43 H new ATOM 0 HG22 THR A 17 -15.430 13.183 8.522 1.00 0.43 H new ATOM 0 HG23 THR A 17 -16.236 13.205 6.936 1.00 0.43 H new ATOM 60 N ASP A 18 -16.932 11.960 11.024 1.00 70.14 N ATOM 61 CA ASP A 18 -15.965 11.437 11.998 1.00 13.24 C ATOM 62 C ASP A 18 -16.379 10.083 12.530 1.00 11.44 C ATOM 63 O ASP A 18 -15.553 9.176 12.667 1.00 2.22 O ATOM 64 CB ASP A 18 -15.731 12.403 13.168 1.00 21.52 C ATOM 65 CG ASP A 18 -15.177 13.737 12.741 1.00 22.34 C ATOM 66 OD1 ASP A 18 -13.956 13.834 12.457 1.00 21.35 O ATOM 67 OD2 ASP A 18 -15.953 14.718 12.691 1.00 61.44 O ATOM 0 H ASP A 18 -17.505 12.731 11.366 1.00 70.14 H new ATOM 0 HA ASP A 18 -15.026 11.328 11.455 1.00 13.24 H new ATOM 0 HB2 ASP A 18 -16.673 12.561 13.693 1.00 21.52 H new ATOM 0 HB3 ASP A 18 -15.043 11.943 13.878 1.00 21.52 H new ATOM 72 N LEU A 19 -17.657 9.930 12.783 1.00 3.51 N ATOM 73 CA LEU A 19 -18.185 8.706 13.340 1.00 23.14 C ATOM 74 C LEU A 19 -18.093 7.596 12.294 1.00 0.14 C ATOM 75 O LEU A 19 -17.731 6.463 12.606 1.00 41.03 O ATOM 76 CB LEU A 19 -19.644 8.956 13.841 1.00 12.51 C ATOM 77 CG LEU A 19 -20.374 7.849 14.658 1.00 74.14 C ATOM 78 CD1 LEU A 19 -20.812 6.684 13.792 1.00 54.15 C ATOM 79 CD2 LEU A 19 -19.499 7.363 15.802 1.00 34.50 C ATOM 0 H LEU A 19 -18.360 10.649 12.609 1.00 3.51 H new ATOM 0 HA LEU A 19 -17.601 8.383 14.202 1.00 23.14 H new ATOM 0 HB2 LEU A 19 -19.629 9.858 14.453 1.00 12.51 H new ATOM 0 HB3 LEU A 19 -20.257 9.174 12.966 1.00 12.51 H new ATOM 0 HG LEU A 19 -21.277 8.300 15.068 1.00 74.14 H new ATOM 0 HD11 LEU A 19 -21.316 5.940 14.410 1.00 54.15 H new ATOM 0 HD12 LEU A 19 -21.497 7.040 13.022 1.00 54.15 H new ATOM 0 HD13 LEU A 19 -19.939 6.233 13.320 1.00 54.15 H new ATOM 0 HD21 LEU A 19 -20.027 6.590 16.361 1.00 34.50 H new ATOM 0 HD22 LEU A 19 -18.572 6.953 15.402 1.00 34.50 H new ATOM 0 HD23 LEU A 19 -19.270 8.197 16.465 1.00 34.50 H new ATOM 91 N ASP A 20 -18.345 7.955 11.062 1.00 70.04 N ATOM 92 CA ASP A 20 -18.320 7.019 9.956 1.00 3.32 C ATOM 93 C ASP A 20 -16.912 6.545 9.707 1.00 20.13 C ATOM 94 O ASP A 20 -16.683 5.339 9.571 1.00 70.25 O ATOM 95 CB ASP A 20 -18.909 7.637 8.680 1.00 71.25 C ATOM 96 CG ASP A 20 -18.886 6.697 7.487 1.00 1.22 C ATOM 97 OD1 ASP A 20 -19.830 5.889 7.314 1.00 62.22 O ATOM 98 OD2 ASP A 20 -17.957 6.775 6.671 1.00 74.41 O ATOM 0 H ASP A 20 -18.576 8.911 10.791 1.00 70.04 H new ATOM 0 HA ASP A 20 -18.941 6.165 10.227 1.00 3.32 H new ATOM 0 HB2 ASP A 20 -19.938 7.941 8.874 1.00 71.25 H new ATOM 0 HB3 ASP A 20 -18.351 8.540 8.432 1.00 71.25 H new ATOM 103 N VAL A 21 -15.956 7.479 9.694 1.00 64.11 N ATOM 104 CA VAL A 21 -14.569 7.121 9.452 1.00 45.11 C ATOM 105 C VAL A 21 -13.991 6.258 10.571 1.00 12.43 C ATOM 106 O VAL A 21 -13.310 5.258 10.297 1.00 75.44 O ATOM 107 CB VAL A 21 -13.633 8.337 9.141 1.00 74.02 C ATOM 108 CG1 VAL A 21 -13.505 9.300 10.303 1.00 44.44 C ATOM 109 CG2 VAL A 21 -12.264 7.864 8.689 1.00 21.21 C ATOM 0 H VAL A 21 -16.121 8.474 9.847 1.00 64.11 H new ATOM 0 HA VAL A 21 -14.597 6.525 8.540 1.00 45.11 H new ATOM 0 HB VAL A 21 -14.106 8.888 8.328 1.00 74.02 H new ATOM 0 HG11 VAL A 21 -12.844 10.120 10.024 1.00 44.44 H new ATOM 0 HG12 VAL A 21 -14.488 9.697 10.557 1.00 44.44 H new ATOM 0 HG13 VAL A 21 -13.091 8.777 11.165 1.00 44.44 H new ATOM 0 HG21 VAL A 21 -11.632 8.727 8.479 1.00 21.21 H new ATOM 0 HG22 VAL A 21 -11.808 7.263 9.476 1.00 21.21 H new ATOM 0 HG23 VAL A 21 -12.367 7.261 7.787 1.00 21.21 H new ATOM 119 N LYS A 22 -14.274 6.592 11.829 1.00 32.11 N ATOM 120 CA LYS A 22 -13.740 5.779 12.900 1.00 14.54 C ATOM 121 C LYS A 22 -14.497 4.464 13.008 1.00 43.34 C ATOM 122 O LYS A 22 -13.940 3.436 13.383 1.00 61.12 O ATOM 123 CB LYS A 22 -13.593 6.556 14.240 1.00 41.02 C ATOM 124 CG LYS A 22 -14.868 7.092 14.901 1.00 14.00 C ATOM 125 CD LYS A 22 -15.687 6.018 15.625 1.00 0.31 C ATOM 126 CE LYS A 22 -14.893 5.362 16.751 1.00 13.35 C ATOM 127 NZ LYS A 22 -15.698 4.378 17.490 1.00 43.24 N ATOM 0 H LYS A 22 -14.846 7.386 12.117 1.00 32.11 H new ATOM 0 HA LYS A 22 -12.713 5.517 12.645 1.00 14.54 H new ATOM 0 HB2 LYS A 22 -13.096 5.900 14.955 1.00 41.02 H new ATOM 0 HB3 LYS A 22 -12.926 7.400 14.066 1.00 41.02 H new ATOM 0 HG2 LYS A 22 -14.597 7.871 15.614 1.00 14.00 H new ATOM 0 HG3 LYS A 22 -15.492 7.560 14.139 1.00 14.00 H new ATOM 0 HD2 LYS A 22 -16.593 6.466 16.033 1.00 0.31 H new ATOM 0 HD3 LYS A 22 -16.001 5.257 14.910 1.00 0.31 H new ATOM 0 HE2 LYS A 22 -14.012 4.872 16.336 1.00 13.35 H new ATOM 0 HE3 LYS A 22 -14.537 6.129 17.439 1.00 13.35 H new ATOM 0 HZ1 LYS A 22 -15.122 3.956 18.246 1.00 43.24 H new ATOM 0 HZ2 LYS A 22 -16.525 4.850 17.908 1.00 43.24 H new ATOM 0 HZ3 LYS A 22 -16.017 3.632 16.840 1.00 43.24 H new ATOM 141 N GLY A 23 -15.754 4.501 12.614 1.00 40.41 N ATOM 142 CA GLY A 23 -16.574 3.323 12.609 1.00 10.30 C ATOM 143 C GLY A 23 -16.137 2.339 11.554 1.00 54.22 C ATOM 144 O GLY A 23 -16.006 1.151 11.833 1.00 24.40 O ATOM 0 H GLY A 23 -16.226 5.346 12.292 1.00 40.41 H new ATOM 0 HA2 GLY A 23 -16.532 2.847 13.589 1.00 10.30 H new ATOM 0 HA3 GLY A 23 -17.613 3.604 12.435 1.00 10.30 H new ATOM 148 N LEU A 24 -15.862 2.835 10.345 1.00 71.24 N ATOM 149 CA LEU A 24 -15.436 1.971 9.261 1.00 41.44 C ATOM 150 C LEU A 24 -14.036 1.499 9.536 1.00 24.24 C ATOM 151 O LEU A 24 -13.705 0.386 9.233 1.00 3.52 O ATOM 152 CB LEU A 24 -15.541 2.673 7.868 1.00 12.11 C ATOM 153 CG LEU A 24 -14.490 3.753 7.517 1.00 41.15 C ATOM 154 CD1 LEU A 24 -13.244 3.164 6.847 1.00 13.41 C ATOM 155 CD2 LEU A 24 -15.089 4.861 6.674 1.00 3.33 C ATOM 0 H LEU A 24 -15.928 3.823 10.101 1.00 71.24 H new ATOM 0 HA LEU A 24 -16.106 1.113 9.215 1.00 41.44 H new ATOM 0 HB2 LEU A 24 -15.495 1.900 7.101 1.00 12.11 H new ATOM 0 HB3 LEU A 24 -16.527 3.132 7.799 1.00 12.11 H new ATOM 0 HG LEU A 24 -14.167 4.187 8.463 1.00 41.15 H new ATOM 0 HD11 LEU A 24 -12.539 3.964 6.622 1.00 13.41 H new ATOM 0 HD12 LEU A 24 -12.775 2.446 7.519 1.00 13.41 H new ATOM 0 HD13 LEU A 24 -13.531 2.662 5.923 1.00 13.41 H new ATOM 0 HD21 LEU A 24 -14.322 5.601 6.447 1.00 3.33 H new ATOM 0 HD22 LEU A 24 -15.476 4.443 5.745 1.00 3.33 H new ATOM 0 HD23 LEU A 24 -15.901 5.337 7.223 1.00 3.33 H new ATOM 167 N GLY A 25 -13.227 2.367 10.147 1.00 51.23 N ATOM 168 CA GLY A 25 -11.873 2.014 10.496 1.00 13.52 C ATOM 169 C GLY A 25 -11.843 0.888 11.489 1.00 5.23 C ATOM 170 O GLY A 25 -11.020 -0.033 11.384 1.00 50.12 O ATOM 0 H GLY A 25 -13.497 3.316 10.405 1.00 51.23 H new ATOM 0 HA2 GLY A 25 -11.327 1.725 9.598 1.00 13.52 H new ATOM 0 HA3 GLY A 25 -11.364 2.883 10.913 1.00 13.52 H new ATOM 174 N TYR A 26 -12.744 0.942 12.453 1.00 21.43 N ATOM 175 CA TYR A 26 -12.851 -0.109 13.424 1.00 53.53 C ATOM 176 C TYR A 26 -13.395 -1.374 12.774 1.00 21.51 C ATOM 177 O TYR A 26 -12.862 -2.440 12.982 1.00 2.22 O ATOM 178 CB TYR A 26 -13.717 0.302 14.626 1.00 42.42 C ATOM 179 CG TYR A 26 -13.839 -0.801 15.656 1.00 63.24 C ATOM 180 CD1 TYR A 26 -12.796 -1.076 16.529 1.00 71.53 C ATOM 181 CD2 TYR A 26 -14.983 -1.589 15.732 1.00 11.25 C ATOM 182 CE1 TYR A 26 -12.884 -2.102 17.443 1.00 23.34 C ATOM 183 CE2 TYR A 26 -15.080 -2.611 16.649 1.00 3.32 C ATOM 184 CZ TYR A 26 -14.028 -2.865 17.499 1.00 0.10 C ATOM 185 OH TYR A 26 -14.114 -3.901 18.406 1.00 52.14 O ATOM 0 H TYR A 26 -13.408 1.706 12.577 1.00 21.43 H new ATOM 0 HA TYR A 26 -11.850 -0.309 13.805 1.00 53.53 H new ATOM 0 HB2 TYR A 26 -13.286 1.187 15.095 1.00 42.42 H new ATOM 0 HB3 TYR A 26 -14.711 0.579 14.276 1.00 42.42 H new ATOM 0 HD1 TYR A 26 -11.900 -0.475 16.491 1.00 71.53 H new ATOM 0 HD2 TYR A 26 -15.807 -1.396 15.061 1.00 11.25 H new ATOM 0 HE1 TYR A 26 -12.061 -2.307 18.111 1.00 23.34 H new ATOM 0 HE2 TYR A 26 -15.977 -3.210 16.701 1.00 3.32 H new ATOM 0 HH TYR A 26 -14.986 -4.340 18.319 1.00 52.14 H new ATOM 195 N ASP A 27 -14.433 -1.229 11.961 1.00 44.10 N ATOM 196 CA ASP A 27 -15.077 -2.365 11.285 1.00 45.24 C ATOM 197 C ASP A 27 -14.090 -3.068 10.365 1.00 73.04 C ATOM 198 O ASP A 27 -13.997 -4.301 10.359 1.00 61.41 O ATOM 199 CB ASP A 27 -16.312 -1.886 10.505 1.00 34.14 C ATOM 200 CG ASP A 27 -17.012 -2.985 9.731 1.00 3.43 C ATOM 201 OD1 ASP A 27 -16.869 -3.038 8.509 1.00 54.10 O ATOM 202 OD2 ASP A 27 -17.751 -3.791 10.335 1.00 60.31 O ATOM 0 H ASP A 27 -14.857 -0.326 11.747 1.00 44.10 H new ATOM 0 HA ASP A 27 -15.404 -3.083 12.038 1.00 45.24 H new ATOM 0 HB2 ASP A 27 -17.020 -1.439 11.203 1.00 34.14 H new ATOM 0 HB3 ASP A 27 -16.010 -1.102 9.811 1.00 34.14 H new ATOM 207 N PHE A 28 -13.317 -2.266 9.647 1.00 32.20 N ATOM 208 CA PHE A 28 -12.275 -2.735 8.749 1.00 53.42 C ATOM 209 C PHE A 28 -11.206 -3.488 9.537 1.00 24.22 C ATOM 210 O PHE A 28 -10.921 -4.653 9.260 1.00 1.41 O ATOM 211 CB PHE A 28 -11.715 -1.494 8.026 1.00 73.51 C ATOM 212 CG PHE A 28 -10.464 -1.621 7.209 1.00 51.22 C ATOM 213 CD1 PHE A 28 -10.511 -1.799 5.838 1.00 20.40 C ATOM 214 CD2 PHE A 28 -9.240 -1.473 7.814 1.00 71.10 C ATOM 215 CE1 PHE A 28 -9.351 -1.828 5.096 1.00 32.24 C ATOM 216 CE2 PHE A 28 -8.085 -1.517 7.087 1.00 14.14 C ATOM 217 CZ PHE A 28 -8.139 -1.691 5.718 1.00 73.54 C ATOM 0 H PHE A 28 -13.400 -1.250 9.674 1.00 32.20 H new ATOM 0 HA PHE A 28 -12.659 -3.439 8.011 1.00 53.42 H new ATOM 0 HB2 PHE A 28 -12.498 -1.117 7.368 1.00 73.51 H new ATOM 0 HB3 PHE A 28 -11.537 -0.728 8.781 1.00 73.51 H new ATOM 0 HD1 PHE A 28 -11.465 -1.916 5.345 1.00 20.40 H new ATOM 0 HD2 PHE A 28 -9.190 -1.319 8.882 1.00 71.10 H new ATOM 0 HE1 PHE A 28 -9.397 -1.959 4.025 1.00 32.24 H new ATOM 0 HE2 PHE A 28 -7.130 -1.416 7.582 1.00 14.14 H new ATOM 0 HZ PHE A 28 -7.227 -1.719 5.139 1.00 73.54 H new ATOM 227 N ILE A 29 -10.663 -2.844 10.545 1.00 43.01 N ATOM 228 CA ILE A 29 -9.634 -3.451 11.359 1.00 71.33 C ATOM 229 C ILE A 29 -10.139 -4.678 12.100 1.00 73.14 C ATOM 230 O ILE A 29 -9.411 -5.664 12.228 1.00 12.43 O ATOM 231 CB ILE A 29 -8.924 -2.414 12.287 1.00 54.42 C ATOM 232 CG1 ILE A 29 -7.899 -1.590 11.482 1.00 35.42 C ATOM 233 CG2 ILE A 29 -8.270 -3.046 13.524 1.00 32.41 C ATOM 234 CD1 ILE A 29 -6.819 -2.431 10.806 1.00 45.43 C ATOM 0 H ILE A 29 -10.918 -1.896 10.822 1.00 43.01 H new ATOM 0 HA ILE A 29 -8.862 -3.813 10.680 1.00 71.33 H new ATOM 0 HB ILE A 29 -9.702 -1.752 12.667 1.00 54.42 H new ATOM 0 HG12 ILE A 29 -8.427 -1.016 10.721 1.00 35.42 H new ATOM 0 HG13 ILE A 29 -7.422 -0.872 12.149 1.00 35.42 H new ATOM 0 HG21 ILE A 29 -7.796 -2.268 14.123 1.00 32.41 H new ATOM 0 HG22 ILE A 29 -9.031 -3.550 14.120 1.00 32.41 H new ATOM 0 HG23 ILE A 29 -7.518 -3.769 13.209 1.00 32.41 H new ATOM 0 HD11 ILE A 29 -6.138 -1.778 10.260 1.00 45.43 H new ATOM 0 HD12 ILE A 29 -6.263 -2.985 11.562 1.00 45.43 H new ATOM 0 HD13 ILE A 29 -7.284 -3.131 10.112 1.00 45.43 H new ATOM 246 N ASP A 30 -11.384 -4.644 12.530 1.00 25.35 N ATOM 247 CA ASP A 30 -11.981 -5.777 13.204 1.00 3.02 C ATOM 248 C ASP A 30 -12.042 -6.960 12.290 1.00 15.44 C ATOM 249 O ASP A 30 -11.558 -8.017 12.648 1.00 34.04 O ATOM 250 CB ASP A 30 -13.377 -5.478 13.759 1.00 20.23 C ATOM 251 CG ASP A 30 -13.986 -6.689 14.451 1.00 4.44 C ATOM 252 OD1 ASP A 30 -13.505 -7.066 15.534 1.00 34.22 O ATOM 253 OD2 ASP A 30 -14.966 -7.274 13.938 1.00 25.00 O ATOM 0 H ASP A 30 -12.003 -3.840 12.424 1.00 25.35 H new ATOM 0 HA ASP A 30 -11.338 -6.000 14.055 1.00 3.02 H new ATOM 0 HB2 ASP A 30 -13.317 -4.649 14.464 1.00 20.23 H new ATOM 0 HB3 ASP A 30 -14.030 -5.158 12.947 1.00 20.23 H new ATOM 258 N LEU A 31 -12.543 -6.766 11.072 1.00 71.41 N ATOM 259 CA LEU A 31 -12.691 -7.878 10.156 1.00 4.44 C ATOM 260 C LEU A 31 -11.333 -8.419 9.716 1.00 62.45 C ATOM 261 O LEU A 31 -11.178 -9.618 9.486 1.00 21.31 O ATOM 262 CB LEU A 31 -13.634 -7.528 8.979 1.00 34.40 C ATOM 263 CG LEU A 31 -13.241 -6.373 8.050 1.00 33.15 C ATOM 264 CD1 LEU A 31 -12.189 -6.793 7.044 1.00 12.53 C ATOM 265 CD2 LEU A 31 -14.458 -5.792 7.362 1.00 61.22 C ATOM 0 H LEU A 31 -12.847 -5.863 10.707 1.00 71.41 H new ATOM 0 HA LEU A 31 -13.180 -8.695 10.687 1.00 4.44 H new ATOM 0 HB2 LEU A 31 -13.748 -8.423 8.367 1.00 34.40 H new ATOM 0 HB3 LEU A 31 -14.615 -7.300 9.396 1.00 34.40 H new ATOM 0 HG LEU A 31 -12.799 -5.592 8.669 1.00 33.15 H new ATOM 0 HD11 LEU A 31 -11.938 -5.946 6.405 1.00 12.53 H new ATOM 0 HD12 LEU A 31 -11.295 -7.128 7.570 1.00 12.53 H new ATOM 0 HD13 LEU A 31 -12.576 -7.608 6.432 1.00 12.53 H new ATOM 0 HD21 LEU A 31 -14.151 -4.975 6.709 1.00 61.22 H new ATOM 0 HD22 LEU A 31 -14.945 -6.566 6.770 1.00 61.22 H new ATOM 0 HD23 LEU A 31 -15.155 -5.416 8.111 1.00 61.22 H new ATOM 277 N VAL A 32 -10.338 -7.532 9.656 1.00 41.52 N ATOM 278 CA VAL A 32 -8.978 -7.919 9.324 1.00 34.44 C ATOM 279 C VAL A 32 -8.345 -8.761 10.469 1.00 41.11 C ATOM 280 O VAL A 32 -7.464 -9.596 10.244 1.00 54.30 O ATOM 281 CB VAL A 32 -8.109 -6.645 8.999 1.00 2.03 C ATOM 282 CG1 VAL A 32 -6.639 -6.981 8.859 1.00 1.12 C ATOM 283 CG2 VAL A 32 -8.589 -6.000 7.707 1.00 61.43 C ATOM 0 H VAL A 32 -10.457 -6.535 9.836 1.00 41.52 H new ATOM 0 HA VAL A 32 -9.004 -8.546 8.433 1.00 34.44 H new ATOM 0 HB VAL A 32 -8.227 -5.956 9.835 1.00 2.03 H new ATOM 0 HG11 VAL A 32 -6.078 -6.074 8.635 1.00 1.12 H new ATOM 0 HG12 VAL A 32 -6.274 -7.413 9.791 1.00 1.12 H new ATOM 0 HG13 VAL A 32 -6.505 -7.699 8.050 1.00 1.12 H new ATOM 0 HG21 VAL A 32 -7.982 -5.121 7.492 1.00 61.43 H new ATOM 0 HG22 VAL A 32 -8.497 -6.714 6.888 1.00 61.43 H new ATOM 0 HG23 VAL A 32 -9.632 -5.703 7.814 1.00 61.43 H new ATOM 293 N THR A 33 -8.848 -8.599 11.676 1.00 61.22 N ATOM 294 CA THR A 33 -8.272 -9.287 12.816 1.00 41.54 C ATOM 295 C THR A 33 -9.271 -10.274 13.407 1.00 64.02 C ATOM 296 O THR A 33 -9.086 -10.791 14.516 1.00 12.01 O ATOM 297 CB THR A 33 -7.852 -8.258 13.894 1.00 10.43 C ATOM 298 OG1 THR A 33 -8.958 -7.373 14.179 1.00 31.43 O ATOM 299 CG2 THR A 33 -6.663 -7.435 13.424 1.00 44.20 C ATOM 0 H THR A 33 -9.647 -8.003 11.893 1.00 61.22 H new ATOM 0 HA THR A 33 -7.394 -9.839 12.481 1.00 41.54 H new ATOM 0 HB THR A 33 -7.568 -8.803 14.794 1.00 10.43 H new ATOM 0 HG1 THR A 33 -9.007 -6.678 13.490 1.00 31.43 H new ATOM 0 HG21 THR A 33 -6.387 -6.719 14.198 1.00 44.20 H new ATOM 0 HG22 THR A 33 -5.820 -8.096 13.223 1.00 44.20 H new ATOM 0 HG23 THR A 33 -6.929 -6.899 12.513 1.00 44.20 H new ATOM 307 N LYS A 34 -10.314 -10.550 12.656 1.00 52.44 N ATOM 308 CA LYS A 34 -11.401 -11.351 13.151 1.00 71.41 C ATOM 309 C LYS A 34 -11.092 -12.845 13.065 1.00 23.43 C ATOM 310 O LYS A 34 -10.393 -13.308 12.145 1.00 55.33 O ATOM 311 CB LYS A 34 -12.690 -10.993 12.408 1.00 62.12 C ATOM 312 CG LYS A 34 -13.979 -11.338 13.140 1.00 23.23 C ATOM 313 CD LYS A 34 -13.992 -10.711 14.533 1.00 4.41 C ATOM 314 CE LYS A 34 -15.379 -10.689 15.141 1.00 53.40 C ATOM 315 NZ LYS A 34 -16.256 -9.730 14.441 1.00 53.33 N ATOM 0 H LYS A 34 -10.428 -10.227 11.695 1.00 52.44 H new ATOM 0 HA LYS A 34 -11.539 -11.128 14.209 1.00 71.41 H new ATOM 0 HB2 LYS A 34 -12.685 -9.923 12.200 1.00 62.12 H new ATOM 0 HB3 LYS A 34 -12.690 -11.505 11.446 1.00 62.12 H new ATOM 0 HG2 LYS A 34 -14.835 -10.982 12.567 1.00 23.23 H new ATOM 0 HG3 LYS A 34 -14.078 -12.420 13.222 1.00 23.23 H new ATOM 0 HD2 LYS A 34 -13.320 -11.268 15.186 1.00 4.41 H new ATOM 0 HD3 LYS A 34 -13.607 -9.693 14.474 1.00 4.41 H new ATOM 0 HE2 LYS A 34 -15.816 -11.687 15.093 1.00 53.40 H new ATOM 0 HE3 LYS A 34 -15.312 -10.421 16.195 1.00 53.40 H new ATOM 0 HZ1 LYS A 34 -17.049 -9.468 15.061 1.00 53.33 H new ATOM 0 HZ2 LYS A 34 -15.713 -8.878 14.195 1.00 53.33 H new ATOM 0 HZ3 LYS A 34 -16.625 -10.167 13.573 1.00 53.33 H new ATOM 329 N SER A 35 -11.596 -13.560 14.051 1.00 61.32 N ATOM 330 CA SER A 35 -11.466 -14.992 14.229 1.00 14.10 C ATOM 331 C SER A 35 -11.857 -15.801 12.964 1.00 33.23 C ATOM 332 O SER A 35 -12.580 -15.304 12.093 1.00 2.22 O ATOM 333 CB SER A 35 -12.397 -15.348 15.379 1.00 22.00 C ATOM 334 OG SER A 35 -12.189 -14.455 16.461 1.00 54.33 O ATOM 0 H SER A 35 -12.142 -13.128 14.797 1.00 61.32 H new ATOM 0 HA SER A 35 -10.425 -15.246 14.428 1.00 14.10 H new ATOM 0 HB2 SER A 35 -13.434 -15.297 15.048 1.00 22.00 H new ATOM 0 HB3 SER A 35 -12.215 -16.373 15.702 1.00 22.00 H new ATOM 0 HG SER A 35 -12.792 -14.688 17.198 1.00 54.33 H new ATOM 340 N PRO A 36 -11.394 -17.084 12.873 1.00 21.02 N ATOM 341 CA PRO A 36 -11.706 -18.012 11.748 1.00 34.55 C ATOM 342 C PRO A 36 -13.201 -18.299 11.611 1.00 0.24 C ATOM 343 O PRO A 36 -13.645 -18.962 10.658 1.00 65.31 O ATOM 344 CB PRO A 36 -10.938 -19.291 12.096 1.00 61.22 C ATOM 345 CG PRO A 36 -10.648 -19.185 13.549 1.00 45.42 C ATOM 346 CD PRO A 36 -10.488 -17.726 13.840 1.00 41.04 C ATOM 0 HA PRO A 36 -11.418 -17.581 10.789 1.00 34.55 H new ATOM 0 HB2 PRO A 36 -11.531 -20.179 11.876 1.00 61.22 H new ATOM 0 HB3 PRO A 36 -10.019 -19.369 11.515 1.00 61.22 H new ATOM 0 HG2 PRO A 36 -11.458 -19.613 14.139 1.00 45.42 H new ATOM 0 HG3 PRO A 36 -9.742 -19.734 13.806 1.00 45.42 H new ATOM 0 HD2 PRO A 36 -10.763 -17.489 14.868 1.00 41.04 H new ATOM 0 HD3 PRO A 36 -9.457 -17.400 13.703 1.00 41.04 H new ATOM 354 N ASP A 37 -13.966 -17.805 12.582 1.00 72.14 N ATOM 355 CA ASP A 37 -15.436 -17.868 12.546 1.00 33.13 C ATOM 356 C ASP A 37 -15.922 -17.084 11.317 1.00 62.20 C ATOM 357 O ASP A 37 -16.978 -17.355 10.741 1.00 41.31 O ATOM 358 CB ASP A 37 -16.021 -17.265 13.822 1.00 2.33 C ATOM 359 CG ASP A 37 -17.533 -17.380 13.902 1.00 30.21 C ATOM 360 OD1 ASP A 37 -18.040 -18.451 14.304 1.00 51.40 O ATOM 361 OD2 ASP A 37 -18.236 -16.394 13.618 1.00 23.03 O ATOM 0 H ASP A 37 -13.592 -17.350 13.415 1.00 72.14 H new ATOM 0 HA ASP A 37 -15.764 -18.905 12.480 1.00 33.13 H new ATOM 0 HB2 ASP A 37 -15.580 -17.762 14.686 1.00 2.33 H new ATOM 0 HB3 ASP A 37 -15.740 -16.214 13.881 1.00 2.33 H new ATOM 366 N SER A 38 -15.113 -16.127 10.927 1.00 73.10 N ATOM 367 CA SER A 38 -15.250 -15.438 9.690 1.00 54.53 C ATOM 368 C SER A 38 -14.281 -16.163 8.761 1.00 54.01 C ATOM 369 O SER A 38 -13.092 -16.269 9.096 1.00 73.45 O ATOM 370 CB SER A 38 -14.826 -13.985 9.887 1.00 1.35 C ATOM 371 OG SER A 38 -15.492 -13.435 11.012 1.00 54.13 O ATOM 0 H SER A 38 -14.323 -15.806 11.486 1.00 73.10 H new ATOM 0 HA SER A 38 -16.267 -15.430 9.297 1.00 54.53 H new ATOM 0 HB2 SER A 38 -13.747 -13.928 10.029 1.00 1.35 H new ATOM 0 HB3 SER A 38 -15.061 -13.405 8.995 1.00 1.35 H new ATOM 0 HG SER A 38 -15.341 -12.467 11.041 1.00 54.13 H new ATOM 377 N VAL A 39 -14.781 -16.674 7.640 1.00 23.23 N ATOM 378 CA VAL A 39 -14.012 -17.563 6.752 1.00 43.32 C ATOM 379 C VAL A 39 -12.641 -17.018 6.398 1.00 0.14 C ATOM 380 O VAL A 39 -11.614 -17.694 6.587 1.00 44.42 O ATOM 381 CB VAL A 39 -14.773 -17.854 5.443 1.00 71.21 C ATOM 382 CG1 VAL A 39 -13.977 -18.769 4.528 1.00 64.31 C ATOM 383 CG2 VAL A 39 -16.129 -18.442 5.727 1.00 1.31 C ATOM 0 H VAL A 39 -15.730 -16.488 7.315 1.00 23.23 H new ATOM 0 HA VAL A 39 -13.879 -18.483 7.322 1.00 43.32 H new ATOM 0 HB VAL A 39 -14.911 -16.903 4.928 1.00 71.21 H new ATOM 0 HG11 VAL A 39 -14.543 -18.953 3.615 1.00 64.31 H new ATOM 0 HG12 VAL A 39 -13.028 -18.296 4.277 1.00 64.31 H new ATOM 0 HG13 VAL A 39 -13.788 -19.715 5.035 1.00 64.31 H new ATOM 0 HG21 VAL A 39 -16.645 -18.638 4.787 1.00 1.31 H new ATOM 0 HG22 VAL A 39 -16.013 -19.375 6.278 1.00 1.31 H new ATOM 0 HG23 VAL A 39 -16.713 -17.740 6.322 1.00 1.31 H new ATOM 393 N ASN A 40 -12.603 -15.826 5.914 1.00 4.32 N ATOM 394 CA ASN A 40 -11.364 -15.265 5.479 1.00 45.40 C ATOM 395 C ASN A 40 -11.405 -13.784 5.725 1.00 13.05 C ATOM 396 O ASN A 40 -12.346 -13.116 5.290 1.00 34.33 O ATOM 397 CB ASN A 40 -11.177 -15.565 3.979 1.00 54.54 C ATOM 398 CG ASN A 40 -9.792 -15.250 3.443 1.00 13.21 C ATOM 399 OD1 ASN A 40 -9.096 -14.381 3.939 1.00 13.12 O ATOM 400 ND2 ASN A 40 -9.401 -15.954 2.409 1.00 64.30 N ATOM 0 H ASN A 40 -13.414 -15.217 5.808 1.00 4.32 H new ATOM 0 HA ASN A 40 -10.526 -15.697 6.026 1.00 45.40 H new ATOM 0 HB2 ASN A 40 -11.390 -16.619 3.803 1.00 54.54 H new ATOM 0 HB3 ASN A 40 -11.911 -14.992 3.412 1.00 54.54 H new ATOM 0 HD21 ASN A 40 -8.486 -15.783 1.992 1.00 64.30 H new ATOM 0 HD22 ASN A 40 -10.012 -16.673 2.021 1.00 64.30 H new ATOM 407 N SER A 41 -10.398 -13.271 6.399 1.00 11.02 N ATOM 408 CA SER A 41 -10.311 -11.865 6.737 1.00 5.45 C ATOM 409 C SER A 41 -10.318 -11.023 5.461 1.00 1.13 C ATOM 410 O SER A 41 -10.986 -9.989 5.382 1.00 60.53 O ATOM 411 CB SER A 41 -9.027 -11.638 7.528 1.00 64.42 C ATOM 412 OG SER A 41 -8.938 -12.594 8.596 1.00 43.43 O ATOM 0 H SER A 41 -9.608 -13.824 6.732 1.00 11.02 H new ATOM 0 HA SER A 41 -11.167 -11.567 7.342 1.00 5.45 H new ATOM 0 HB2 SER A 41 -8.163 -11.732 6.871 1.00 64.42 H new ATOM 0 HB3 SER A 41 -9.012 -10.626 7.932 1.00 64.42 H new ATOM 0 HG SER A 41 -8.201 -12.349 9.193 1.00 43.43 H new ATOM 418 N GLU A 42 -9.673 -11.552 4.435 1.00 22.33 N ATOM 419 CA GLU A 42 -9.561 -10.877 3.167 1.00 24.21 C ATOM 420 C GLU A 42 -10.901 -10.923 2.420 1.00 41.41 C ATOM 421 O GLU A 42 -11.174 -10.092 1.561 1.00 62.05 O ATOM 422 CB GLU A 42 -8.461 -11.520 2.318 1.00 13.21 C ATOM 423 CG GLU A 42 -7.133 -11.724 3.044 1.00 25.51 C ATOM 424 CD GLU A 42 -6.652 -10.495 3.793 1.00 54.21 C ATOM 425 OE1 GLU A 42 -6.768 -10.488 5.049 1.00 72.31 O ATOM 426 OE2 GLU A 42 -6.175 -9.555 3.145 1.00 11.31 O ATOM 0 H GLU A 42 -9.214 -12.463 4.465 1.00 22.33 H new ATOM 0 HA GLU A 42 -9.297 -9.835 3.350 1.00 24.21 H new ATOM 0 HB2 GLU A 42 -8.816 -12.486 1.959 1.00 13.21 H new ATOM 0 HB3 GLU A 42 -8.288 -10.898 1.440 1.00 13.21 H new ATOM 0 HG2 GLU A 42 -7.237 -12.550 3.748 1.00 25.51 H new ATOM 0 HG3 GLU A 42 -6.374 -12.017 2.319 1.00 25.51 H new ATOM 433 N HIS A 43 -11.762 -11.878 2.782 1.00 51.20 N ATOM 434 CA HIS A 43 -13.072 -11.989 2.147 1.00 4.51 C ATOM 435 C HIS A 43 -13.949 -10.910 2.727 1.00 64.33 C ATOM 436 O HIS A 43 -14.647 -10.208 2.005 1.00 54.41 O ATOM 437 CB HIS A 43 -13.706 -13.385 2.372 1.00 62.34 C ATOM 438 CG HIS A 43 -14.993 -13.632 1.609 1.00 12.02 C ATOM 439 ND1 HIS A 43 -15.101 -14.523 0.565 1.00 43.52 N ATOM 440 CD2 HIS A 43 -16.233 -13.097 1.763 1.00 24.43 C ATOM 441 CE1 HIS A 43 -16.357 -14.502 0.121 1.00 33.43 C ATOM 442 NE2 HIS A 43 -17.091 -13.652 0.816 1.00 40.55 N ATOM 0 H HIS A 43 -11.577 -12.576 3.502 1.00 51.20 H new ATOM 0 HA HIS A 43 -12.967 -11.868 1.069 1.00 4.51 H new ATOM 0 HB2 HIS A 43 -12.981 -14.147 2.088 1.00 62.34 H new ATOM 0 HB3 HIS A 43 -13.902 -13.512 3.437 1.00 62.34 H new ATOM 0 HD2 HIS A 43 -16.509 -12.359 2.502 1.00 24.43 H new ATOM 0 HE1 HIS A 43 -16.726 -15.101 -0.699 1.00 33.43 H new ATOM 0 HE2 HIS A 43 -18.081 -13.445 0.686 1.00 40.55 H new ATOM 450 N GLU A 44 -13.861 -10.755 4.042 1.00 14.42 N ATOM 451 CA GLU A 44 -14.575 -9.732 4.758 1.00 75.43 C ATOM 452 C GLU A 44 -14.088 -8.376 4.279 1.00 12.20 C ATOM 453 O GLU A 44 -14.858 -7.432 4.161 1.00 51.23 O ATOM 454 CB GLU A 44 -14.289 -9.880 6.241 1.00 50.11 C ATOM 455 CG GLU A 44 -14.638 -11.236 6.826 1.00 25.51 C ATOM 456 CD GLU A 44 -16.118 -11.470 6.930 1.00 44.01 C ATOM 457 OE1 GLU A 44 -16.656 -12.311 6.190 1.00 24.03 O ATOM 458 OE2 GLU A 44 -16.785 -10.794 7.743 1.00 11.22 O ATOM 0 H GLU A 44 -13.283 -11.348 4.638 1.00 14.42 H new ATOM 0 HA GLU A 44 -15.647 -9.822 4.583 1.00 75.43 H new ATOM 0 HB2 GLU A 44 -13.230 -9.688 6.413 1.00 50.11 H new ATOM 0 HB3 GLU A 44 -14.844 -9.113 6.782 1.00 50.11 H new ATOM 0 HG2 GLU A 44 -14.195 -12.017 6.207 1.00 25.51 H new ATOM 0 HG3 GLU A 44 -14.192 -11.323 7.817 1.00 25.51 H new ATOM 465 N LEU A 45 -12.808 -8.305 3.974 1.00 75.42 N ATOM 466 CA LEU A 45 -12.211 -7.109 3.487 1.00 41.15 C ATOM 467 C LEU A 45 -12.736 -6.792 2.096 1.00 63.32 C ATOM 468 O LEU A 45 -13.105 -5.658 1.817 1.00 3.22 O ATOM 469 CB LEU A 45 -10.700 -7.237 3.480 1.00 14.05 C ATOM 470 CG LEU A 45 -9.954 -5.965 3.155 1.00 21.42 C ATOM 471 CD1 LEU A 45 -10.269 -4.910 4.183 1.00 23.11 C ATOM 472 CD2 LEU A 45 -8.461 -6.213 3.049 1.00 72.24 C ATOM 0 H LEU A 45 -12.161 -9.089 4.063 1.00 75.42 H new ATOM 0 HA LEU A 45 -12.477 -6.286 4.150 1.00 41.15 H new ATOM 0 HB2 LEU A 45 -10.376 -7.591 4.459 1.00 14.05 H new ATOM 0 HB3 LEU A 45 -10.418 -8.001 2.755 1.00 14.05 H new ATOM 0 HG LEU A 45 -10.285 -5.605 2.181 1.00 21.42 H new ATOM 0 HD11 LEU A 45 -9.728 -3.995 3.943 1.00 23.11 H new ATOM 0 HD12 LEU A 45 -11.340 -4.709 4.182 1.00 23.11 H new ATOM 0 HD13 LEU A 45 -9.967 -5.262 5.170 1.00 23.11 H new ATOM 0 HD21 LEU A 45 -7.953 -5.278 2.814 1.00 72.24 H new ATOM 0 HD22 LEU A 45 -8.088 -6.600 3.997 1.00 72.24 H new ATOM 0 HD23 LEU A 45 -8.268 -6.939 2.259 1.00 72.24 H new ATOM 484 N ALA A 46 -12.810 -7.811 1.245 1.00 14.01 N ATOM 485 CA ALA A 46 -13.348 -7.666 -0.108 1.00 2.53 C ATOM 486 C ALA A 46 -14.805 -7.234 -0.059 1.00 33.35 C ATOM 487 O ALA A 46 -15.292 -6.511 -0.937 1.00 64.32 O ATOM 488 CB ALA A 46 -13.205 -8.964 -0.893 1.00 11.01 C ATOM 0 H ALA A 46 -12.501 -8.757 1.470 1.00 14.01 H new ATOM 0 HA ALA A 46 -12.773 -6.894 -0.619 1.00 2.53 H new ATOM 0 HB1 ALA A 46 -13.612 -8.830 -1.895 1.00 11.01 H new ATOM 0 HB2 ALA A 46 -12.151 -9.233 -0.963 1.00 11.01 H new ATOM 0 HB3 ALA A 46 -13.749 -9.759 -0.384 1.00 11.01 H new ATOM 494 N HIS A 47 -15.476 -7.672 0.978 1.00 72.53 N ATOM 495 CA HIS A 47 -16.853 -7.325 1.231 1.00 61.42 C ATOM 496 C HIS A 47 -16.942 -5.864 1.668 1.00 24.11 C ATOM 497 O HIS A 47 -17.806 -5.122 1.205 1.00 62.31 O ATOM 498 CB HIS A 47 -17.441 -8.279 2.303 1.00 62.21 C ATOM 499 CG HIS A 47 -18.836 -7.960 2.776 1.00 44.10 C ATOM 500 ND1 HIS A 47 -19.131 -7.590 4.070 1.00 21.41 N ATOM 501 CD2 HIS A 47 -20.020 -7.998 2.119 1.00 12.31 C ATOM 502 CE1 HIS A 47 -20.446 -7.417 4.167 1.00 53.53 C ATOM 503 NE2 HIS A 47 -21.045 -7.652 3.005 1.00 33.14 N ATOM 0 H HIS A 47 -15.073 -8.290 1.682 1.00 72.53 H new ATOM 0 HA HIS A 47 -17.441 -7.439 0.320 1.00 61.42 H new ATOM 0 HB2 HIS A 47 -17.438 -9.292 1.901 1.00 62.21 H new ATOM 0 HB3 HIS A 47 -16.776 -8.277 3.167 1.00 62.21 H new ATOM 0 HD2 HIS A 47 -20.151 -8.254 1.078 1.00 12.31 H new ATOM 0 HE1 HIS A 47 -20.959 -7.124 5.071 1.00 53.53 H new ATOM 0 HE2 HIS A 47 -22.043 -7.593 2.802 1.00 33.14 H new ATOM 511 N PHE A 48 -16.000 -5.448 2.493 1.00 31.03 N ATOM 512 CA PHE A 48 -15.971 -4.117 3.032 1.00 24.32 C ATOM 513 C PHE A 48 -15.651 -3.109 1.943 1.00 33.55 C ATOM 514 O PHE A 48 -16.291 -2.074 1.830 1.00 61.34 O ATOM 515 CB PHE A 48 -14.927 -4.057 4.149 1.00 21.52 C ATOM 516 CG PHE A 48 -14.699 -2.697 4.720 1.00 70.25 C ATOM 517 CD1 PHE A 48 -13.700 -1.895 4.219 1.00 2.32 C ATOM 518 CD2 PHE A 48 -15.479 -2.225 5.746 1.00 74.15 C ATOM 519 CE1 PHE A 48 -13.483 -0.640 4.731 1.00 72.03 C ATOM 520 CE2 PHE A 48 -15.268 -0.968 6.269 1.00 22.41 C ATOM 521 CZ PHE A 48 -14.267 -0.176 5.757 1.00 44.13 C ATOM 0 H PHE A 48 -15.229 -6.037 2.806 1.00 31.03 H new ATOM 0 HA PHE A 48 -16.951 -3.866 3.439 1.00 24.32 H new ATOM 0 HB2 PHE A 48 -15.236 -4.726 4.952 1.00 21.52 H new ATOM 0 HB3 PHE A 48 -13.981 -4.437 3.764 1.00 21.52 H new ATOM 0 HD1 PHE A 48 -13.079 -2.257 3.413 1.00 2.32 H new ATOM 0 HD2 PHE A 48 -16.266 -2.846 6.148 1.00 74.15 H new ATOM 0 HE1 PHE A 48 -12.697 -0.019 4.327 1.00 72.03 H new ATOM 0 HE2 PHE A 48 -15.886 -0.606 7.077 1.00 22.41 H new ATOM 0 HZ PHE A 48 -14.098 0.811 6.162 1.00 44.13 H new ATOM 531 N LEU A 49 -14.679 -3.435 1.128 1.00 24.12 N ATOM 532 CA LEU A 49 -14.239 -2.543 0.082 1.00 12.20 C ATOM 533 C LEU A 49 -15.162 -2.625 -1.134 1.00 40.40 C ATOM 534 O LEU A 49 -14.956 -1.934 -2.107 1.00 5.04 O ATOM 535 CB LEU A 49 -12.768 -2.836 -0.285 1.00 53.32 C ATOM 536 CG LEU A 49 -12.480 -4.177 -0.967 1.00 15.42 C ATOM 537 CD1 LEU A 49 -12.676 -4.095 -2.467 1.00 1.33 C ATOM 538 CD2 LEU A 49 -11.104 -4.682 -0.617 1.00 44.22 C ATOM 0 H LEU A 49 -14.173 -4.320 1.169 1.00 24.12 H new ATOM 0 HA LEU A 49 -14.291 -1.518 0.449 1.00 12.20 H new ATOM 0 HB2 LEU A 49 -12.416 -2.039 -0.940 1.00 53.32 H new ATOM 0 HB3 LEU A 49 -12.174 -2.784 0.627 1.00 53.32 H new ATOM 0 HG LEU A 49 -13.203 -4.899 -0.587 1.00 15.42 H new ATOM 0 HD11 LEU A 49 -12.462 -5.065 -2.915 1.00 1.33 H new ATOM 0 HD12 LEU A 49 -13.706 -3.814 -2.684 1.00 1.33 H new ATOM 0 HD13 LEU A 49 -12.000 -3.347 -2.882 1.00 1.33 H new ATOM 0 HD21 LEU A 49 -10.929 -5.635 -1.116 1.00 44.22 H new ATOM 0 HD22 LEU A 49 -10.357 -3.959 -0.944 1.00 44.22 H new ATOM 0 HD23 LEU A 49 -11.030 -4.818 0.462 1.00 44.22 H new ATOM 550 N GLY A 50 -16.158 -3.498 -1.061 1.00 54.34 N ATOM 551 CA GLY A 50 -17.136 -3.649 -2.132 1.00 2.13 C ATOM 552 C GLY A 50 -17.743 -2.313 -2.579 1.00 32.41 C ATOM 553 O GLY A 50 -17.614 -1.939 -3.746 1.00 74.24 O ATOM 0 H GLY A 50 -16.311 -4.117 -0.265 1.00 54.34 H new ATOM 0 HA2 GLY A 50 -16.660 -4.130 -2.987 1.00 2.13 H new ATOM 0 HA3 GLY A 50 -17.934 -4.311 -1.797 1.00 2.13 H new ATOM 557 N PRO A 51 -18.420 -1.570 -1.688 1.00 72.34 N ATOM 558 CA PRO A 51 -18.940 -0.247 -2.017 1.00 74.40 C ATOM 559 C PRO A 51 -17.854 0.841 -1.908 1.00 22.33 C ATOM 560 O PRO A 51 -18.062 1.987 -2.303 1.00 23.12 O ATOM 561 CB PRO A 51 -20.036 -0.006 -0.951 1.00 42.44 C ATOM 562 CG PRO A 51 -20.115 -1.268 -0.143 1.00 61.11 C ATOM 563 CD PRO A 51 -18.807 -1.969 -0.324 1.00 12.11 C ATOM 0 HA PRO A 51 -19.307 -0.200 -3.042 1.00 74.40 H new ATOM 0 HB2 PRO A 51 -19.785 0.846 -0.319 1.00 42.44 H new ATOM 0 HB3 PRO A 51 -20.994 0.217 -1.421 1.00 42.44 H new ATOM 0 HG2 PRO A 51 -20.293 -1.045 0.909 1.00 61.11 H new ATOM 0 HG3 PRO A 51 -20.941 -1.894 -0.481 1.00 61.11 H new ATOM 0 HD2 PRO A 51 -18.071 -1.653 0.416 1.00 12.11 H new ATOM 0 HD3 PRO A 51 -18.909 -3.050 -0.231 1.00 12.11 H new ATOM 571 N HIS A 52 -16.686 0.462 -1.421 1.00 14.11 N ATOM 572 CA HIS A 52 -15.624 1.419 -1.133 1.00 2.52 C ATOM 573 C HIS A 52 -14.403 1.107 -1.989 1.00 51.44 C ATOM 574 O HIS A 52 -13.278 1.246 -1.530 1.00 30.20 O ATOM 575 CB HIS A 52 -15.235 1.363 0.366 1.00 44.12 C ATOM 576 CG HIS A 52 -16.354 1.662 1.341 1.00 11.14 C ATOM 577 ND1 HIS A 52 -16.703 2.928 1.760 1.00 72.32 N ATOM 578 CD2 HIS A 52 -17.190 0.819 1.995 1.00 11.14 C ATOM 579 CE1 HIS A 52 -17.708 2.817 2.631 1.00 2.04 C ATOM 580 NE2 HIS A 52 -18.045 1.553 2.811 1.00 51.34 N ATOM 0 H HIS A 52 -16.445 -0.507 -1.214 1.00 14.11 H new ATOM 0 HA HIS A 52 -15.986 2.421 -1.365 1.00 2.52 H new ATOM 0 HB2 HIS A 52 -14.842 0.370 0.585 1.00 44.12 H new ATOM 0 HB3 HIS A 52 -14.426 2.072 0.540 1.00 44.12 H new ATOM 0 HD1 HIS A 52 -16.268 3.799 1.457 1.00 72.32 H new ATOM 0 HD2 HIS A 52 -17.192 -0.257 1.898 1.00 11.14 H new ATOM 0 HE1 HIS A 52 -18.184 3.652 3.124 1.00 2.04 H new ATOM 588 N ASP A 53 -14.667 0.709 -3.240 1.00 52.25 N ATOM 589 CA ASP A 53 -13.638 0.331 -4.239 1.00 33.01 C ATOM 590 C ASP A 53 -12.605 1.431 -4.470 1.00 11.13 C ATOM 591 O ASP A 53 -12.888 2.453 -5.097 1.00 40.22 O ATOM 592 CB ASP A 53 -14.322 -0.046 -5.573 1.00 62.54 C ATOM 593 CG ASP A 53 -13.373 -0.130 -6.771 1.00 51.23 C ATOM 594 OD1 ASP A 53 -12.497 -1.005 -6.821 1.00 73.41 O ATOM 595 OD2 ASP A 53 -13.544 0.653 -7.727 1.00 43.32 O ATOM 0 H ASP A 53 -15.618 0.637 -3.601 1.00 52.25 H new ATOM 0 HA ASP A 53 -13.099 -0.528 -3.839 1.00 33.01 H new ATOM 0 HB2 ASP A 53 -14.820 -1.008 -5.452 1.00 62.54 H new ATOM 0 HB3 ASP A 53 -15.097 0.689 -5.790 1.00 62.54 H new ATOM 600 N PRO A 54 -11.395 1.241 -3.944 1.00 41.44 N ATOM 601 CA PRO A 54 -10.336 2.194 -4.071 1.00 61.32 C ATOM 602 C PRO A 54 -9.377 1.806 -5.192 1.00 73.45 C ATOM 603 O PRO A 54 -9.656 0.904 -5.996 1.00 43.40 O ATOM 604 CB PRO A 54 -9.648 2.048 -2.716 1.00 62.33 C ATOM 605 CG PRO A 54 -9.759 0.587 -2.392 1.00 71.24 C ATOM 606 CD PRO A 54 -10.957 0.064 -3.160 1.00 54.21 C ATOM 0 HA PRO A 54 -10.672 3.203 -4.311 1.00 61.32 H new ATOM 0 HB2 PRO A 54 -8.606 2.366 -2.764 1.00 62.33 H new ATOM 0 HB3 PRO A 54 -10.134 2.661 -1.957 1.00 62.33 H new ATOM 0 HG2 PRO A 54 -8.852 0.056 -2.680 1.00 71.24 H new ATOM 0 HG3 PRO A 54 -9.890 0.436 -1.320 1.00 71.24 H new ATOM 0 HD2 PRO A 54 -10.688 -0.772 -3.805 1.00 54.21 H new ATOM 0 HD3 PRO A 54 -11.742 -0.289 -2.491 1.00 54.21 H new ATOM 614 N GLU A 55 -8.260 2.471 -5.256 1.00 52.40 N ATOM 615 CA GLU A 55 -7.267 2.135 -6.221 1.00 72.41 C ATOM 616 C GLU A 55 -6.326 1.145 -5.587 1.00 61.42 C ATOM 617 O GLU A 55 -5.548 1.484 -4.704 1.00 2.42 O ATOM 618 CB GLU A 55 -6.561 3.388 -6.695 1.00 3.54 C ATOM 619 CG GLU A 55 -7.528 4.352 -7.372 1.00 22.53 C ATOM 620 CD GLU A 55 -6.923 5.679 -7.756 1.00 22.13 C ATOM 621 OE1 GLU A 55 -6.573 5.877 -8.935 1.00 21.42 O ATOM 622 OE2 GLU A 55 -6.810 6.567 -6.884 1.00 74.33 O ATOM 0 H GLU A 55 -8.018 3.252 -4.646 1.00 52.40 H new ATOM 0 HA GLU A 55 -7.711 1.678 -7.105 1.00 72.41 H new ATOM 0 HB2 GLU A 55 -6.087 3.882 -5.847 1.00 3.54 H new ATOM 0 HB3 GLU A 55 -5.767 3.118 -7.392 1.00 3.54 H new ATOM 0 HG2 GLU A 55 -7.927 3.876 -8.268 1.00 22.53 H new ATOM 0 HG3 GLU A 55 -8.370 4.531 -6.704 1.00 22.53 H new ATOM 629 N ILE A 56 -6.467 -0.075 -5.972 1.00 72.42 N ATOM 630 CA ILE A 56 -5.716 -1.154 -5.398 1.00 64.05 C ATOM 631 C ILE A 56 -4.422 -1.330 -6.180 1.00 1.22 C ATOM 632 O ILE A 56 -4.433 -1.774 -7.273 1.00 3.34 O ATOM 633 CB ILE A 56 -6.543 -2.464 -5.449 1.00 45.31 C ATOM 634 CG1 ILE A 56 -7.905 -2.263 -4.740 1.00 54.14 C ATOM 635 CG2 ILE A 56 -5.758 -3.583 -4.802 1.00 33.33 C ATOM 636 CD1 ILE A 56 -8.904 -3.399 -4.926 1.00 34.04 C ATOM 0 H ILE A 56 -7.115 -0.363 -6.705 1.00 72.42 H new ATOM 0 HA ILE A 56 -5.488 -0.925 -4.357 1.00 64.05 H new ATOM 0 HB ILE A 56 -6.739 -2.730 -6.488 1.00 45.31 H new ATOM 0 HG12 ILE A 56 -7.726 -2.129 -3.673 1.00 54.14 H new ATOM 0 HG13 ILE A 56 -8.355 -1.340 -5.106 1.00 54.14 H new ATOM 0 HG21 ILE A 56 -6.340 -4.504 -4.838 1.00 33.33 H new ATOM 0 HG22 ILE A 56 -4.819 -3.726 -5.337 1.00 33.33 H new ATOM 0 HG23 ILE A 56 -5.548 -3.327 -3.763 1.00 33.33 H new ATOM 0 HD11 ILE A 56 -9.825 -3.165 -4.392 1.00 34.04 H new ATOM 0 HD12 ILE A 56 -9.121 -3.523 -5.987 1.00 34.04 H new ATOM 0 HD13 ILE A 56 -8.482 -4.323 -4.532 1.00 34.04 H new ATOM 648 N TYR A 57 -3.338 -0.949 -5.625 1.00 44.32 N ATOM 649 CA TYR A 57 -2.077 -1.037 -6.318 1.00 63.13 C ATOM 650 C TYR A 57 -1.337 -2.276 -5.963 1.00 71.02 C ATOM 651 O TYR A 57 -0.785 -2.368 -4.914 1.00 45.32 O ATOM 652 CB TYR A 57 -1.219 0.161 -6.027 1.00 3.32 C ATOM 653 CG TYR A 57 -1.733 1.412 -6.649 1.00 24.53 C ATOM 654 CD1 TYR A 57 -1.354 1.763 -7.926 1.00 65.50 C ATOM 655 CD2 TYR A 57 -2.595 2.243 -5.963 1.00 12.41 C ATOM 656 CE1 TYR A 57 -1.820 2.919 -8.504 1.00 10.25 C ATOM 657 CE2 TYR A 57 -3.069 3.395 -6.533 1.00 42.04 C ATOM 658 CZ TYR A 57 -2.677 3.733 -7.799 1.00 71.22 C ATOM 659 OH TYR A 57 -3.153 4.888 -8.371 1.00 71.14 O ATOM 0 H TYR A 57 -3.280 -0.566 -4.681 1.00 44.32 H new ATOM 0 HA TYR A 57 -2.304 -1.066 -7.384 1.00 63.13 H new ATOM 0 HB2 TYR A 57 -1.153 0.299 -4.948 1.00 3.32 H new ATOM 0 HB3 TYR A 57 -0.208 -0.028 -6.387 1.00 3.32 H new ATOM 0 HD1 TYR A 57 -0.683 1.122 -8.479 1.00 65.50 H new ATOM 0 HD2 TYR A 57 -2.901 1.981 -4.961 1.00 12.41 H new ATOM 0 HE1 TYR A 57 -1.516 3.187 -9.505 1.00 10.25 H new ATOM 0 HE2 TYR A 57 -3.748 4.032 -5.986 1.00 42.04 H new ATOM 0 HH TYR A 57 -3.747 5.345 -7.739 1.00 71.14 H new ATOM 669 N VAL A 58 -1.276 -3.192 -6.853 1.00 51.42 N ATOM 670 CA VAL A 58 -0.614 -4.440 -6.589 1.00 72.12 C ATOM 671 C VAL A 58 0.653 -4.471 -7.362 1.00 73.32 C ATOM 672 O VAL A 58 0.639 -4.460 -8.588 1.00 31.14 O ATOM 673 CB VAL A 58 -1.495 -5.642 -6.945 1.00 45.10 C ATOM 674 CG1 VAL A 58 -0.729 -6.960 -6.858 1.00 35.04 C ATOM 675 CG2 VAL A 58 -2.680 -5.691 -6.036 1.00 2.02 C ATOM 0 H VAL A 58 -1.678 -3.112 -7.787 1.00 51.42 H new ATOM 0 HA VAL A 58 -0.406 -4.512 -5.521 1.00 72.12 H new ATOM 0 HB VAL A 58 -1.821 -5.514 -7.977 1.00 45.10 H new ATOM 0 HG11 VAL A 58 -1.393 -7.784 -7.119 1.00 35.04 H new ATOM 0 HG12 VAL A 58 0.112 -6.938 -7.551 1.00 35.04 H new ATOM 0 HG13 VAL A 58 -0.359 -7.099 -5.842 1.00 35.04 H new ATOM 0 HG21 VAL A 58 -3.302 -6.548 -6.295 1.00 2.02 H new ATOM 0 HG22 VAL A 58 -2.343 -5.786 -5.004 1.00 2.02 H new ATOM 0 HG23 VAL A 58 -3.261 -4.775 -6.145 1.00 2.02 H new ATOM 685 N ASN A 59 1.748 -4.417 -6.626 1.00 12.31 N ATOM 686 CA ASN A 59 3.116 -4.372 -7.176 1.00 42.34 C ATOM 687 C ASN A 59 3.317 -3.105 -7.986 1.00 43.11 C ATOM 688 O ASN A 59 4.228 -3.001 -8.814 1.00 51.25 O ATOM 689 CB ASN A 59 3.427 -5.620 -8.019 1.00 40.32 C ATOM 690 CG ASN A 59 3.456 -6.892 -7.198 1.00 71.33 C ATOM 691 OD1 ASN A 59 3.826 -6.885 -6.010 1.00 24.12 O ATOM 692 ND2 ASN A 59 3.046 -7.981 -7.795 1.00 55.21 N ATOM 0 H ASN A 59 1.725 -4.402 -5.606 1.00 12.31 H new ATOM 0 HA ASN A 59 3.815 -4.364 -6.340 1.00 42.34 H new ATOM 0 HB2 ASN A 59 2.678 -5.718 -8.805 1.00 40.32 H new ATOM 0 HB3 ASN A 59 4.391 -5.489 -8.511 1.00 40.32 H new ATOM 0 HD21 ASN A 59 3.022 -8.864 -7.285 1.00 55.21 H new ATOM 0 HD22 ASN A 59 2.750 -7.947 -8.771 1.00 55.21 H new ATOM 699 N GLY A 60 2.476 -2.126 -7.704 1.00 0.20 N ATOM 700 CA GLY A 60 2.510 -0.866 -8.395 1.00 2.12 C ATOM 701 C GLY A 60 1.490 -0.805 -9.512 1.00 63.02 C ATOM 702 O GLY A 60 1.294 0.235 -10.125 1.00 64.43 O ATOM 0 H GLY A 60 1.753 -2.190 -6.988 1.00 0.20 H new ATOM 0 HA2 GLY A 60 2.321 -0.059 -7.687 1.00 2.12 H new ATOM 0 HA3 GLY A 60 3.507 -0.704 -8.805 1.00 2.12 H new ATOM 706 N LYS A 61 0.819 -1.908 -9.762 1.00 12.14 N ATOM 707 CA LYS A 61 -0.131 -1.969 -10.824 1.00 3.12 C ATOM 708 C LYS A 61 -1.502 -1.709 -10.286 1.00 54.25 C ATOM 709 O LYS A 61 -1.934 -2.371 -9.346 1.00 22.22 O ATOM 710 CB LYS A 61 -0.062 -3.308 -11.570 1.00 62.11 C ATOM 711 CG LYS A 61 1.281 -3.596 -12.229 1.00 75.13 C ATOM 712 CD LYS A 61 1.662 -2.484 -13.184 1.00 72.23 C ATOM 713 CE LYS A 61 2.938 -2.786 -13.937 1.00 53.21 C ATOM 714 NZ LYS A 61 3.368 -1.634 -14.752 1.00 25.42 N ATOM 0 H LYS A 61 0.923 -2.774 -9.234 1.00 12.14 H new ATOM 0 HA LYS A 61 0.111 -1.196 -11.553 1.00 3.12 H new ATOM 0 HB2 LYS A 61 -0.288 -4.112 -10.869 1.00 62.11 H new ATOM 0 HB3 LYS A 61 -0.838 -3.324 -12.335 1.00 62.11 H new ATOM 0 HG2 LYS A 61 2.050 -3.704 -11.464 1.00 75.13 H new ATOM 0 HG3 LYS A 61 1.231 -4.542 -12.767 1.00 75.13 H new ATOM 0 HD2 LYS A 61 0.852 -2.326 -13.896 1.00 72.23 H new ATOM 0 HD3 LYS A 61 1.783 -1.555 -12.627 1.00 72.23 H new ATOM 0 HE2 LYS A 61 3.726 -3.048 -13.231 1.00 53.21 H new ATOM 0 HE3 LYS A 61 2.786 -3.652 -14.581 1.00 53.21 H new ATOM 0 HZ1 LYS A 61 4.246 -1.873 -15.256 1.00 25.42 H new ATOM 0 HZ2 LYS A 61 2.626 -1.400 -15.442 1.00 25.42 H new ATOM 0 HZ3 LYS A 61 3.536 -0.815 -14.134 1.00 25.42 H new ATOM 728 N ILE A 62 -2.169 -0.752 -10.865 1.00 35.33 N ATOM 729 CA ILE A 62 -3.458 -0.331 -10.396 1.00 64.44 C ATOM 730 C ILE A 62 -4.515 -1.400 -10.759 1.00 51.51 C ATOM 731 O ILE A 62 -4.590 -1.882 -11.905 1.00 41.22 O ATOM 732 CB ILE A 62 -3.812 1.111 -10.948 1.00 3.20 C ATOM 733 CG1 ILE A 62 -4.818 1.883 -10.047 1.00 2.52 C ATOM 734 CG2 ILE A 62 -4.296 1.077 -12.392 1.00 43.25 C ATOM 735 CD1 ILE A 62 -6.204 1.312 -9.936 1.00 42.31 C ATOM 0 H ILE A 62 -1.832 -0.239 -11.680 1.00 35.33 H new ATOM 0 HA ILE A 62 -3.448 -0.242 -9.310 1.00 64.44 H new ATOM 0 HB ILE A 62 -2.873 1.664 -10.922 1.00 3.20 H new ATOM 0 HG12 ILE A 62 -4.396 1.948 -9.044 1.00 2.52 H new ATOM 0 HG13 ILE A 62 -4.900 2.902 -10.425 1.00 2.52 H new ATOM 0 HG21 ILE A 62 -4.525 2.090 -12.723 1.00 43.25 H new ATOM 0 HG22 ILE A 62 -3.517 0.656 -13.027 1.00 43.25 H new ATOM 0 HG23 ILE A 62 -5.193 0.461 -12.461 1.00 43.25 H new ATOM 0 HD11 ILE A 62 -6.806 1.942 -9.281 1.00 42.31 H new ATOM 0 HD12 ILE A 62 -6.662 1.274 -10.924 1.00 42.31 H new ATOM 0 HD13 ILE A 62 -6.151 0.305 -9.522 1.00 42.31 H new ATOM 747 N GLN A 63 -5.237 -1.813 -9.766 1.00 14.01 N ATOM 748 CA GLN A 63 -6.280 -2.809 -9.875 1.00 73.14 C ATOM 749 C GLN A 63 -7.548 -2.236 -9.237 1.00 21.14 C ATOM 750 O GLN A 63 -7.471 -1.391 -8.337 1.00 34.43 O ATOM 751 CB GLN A 63 -5.916 -4.070 -9.052 1.00 44.11 C ATOM 752 CG GLN A 63 -4.485 -4.574 -9.166 1.00 1.13 C ATOM 753 CD GLN A 63 -4.075 -4.998 -10.549 1.00 70.51 C ATOM 754 OE1 GLN A 63 -4.885 -5.445 -11.357 1.00 13.55 O ATOM 755 NE2 GLN A 63 -2.809 -4.871 -10.824 1.00 22.41 N ATOM 0 H GLN A 63 -5.119 -1.458 -8.817 1.00 14.01 H new ATOM 0 HA GLN A 63 -6.411 -3.065 -10.926 1.00 73.14 H new ATOM 0 HB2 GLN A 63 -6.120 -3.861 -8.002 1.00 44.11 H new ATOM 0 HB3 GLN A 63 -6.585 -4.876 -9.352 1.00 44.11 H new ATOM 0 HG2 GLN A 63 -3.810 -3.788 -8.827 1.00 1.13 H new ATOM 0 HG3 GLN A 63 -4.357 -5.419 -8.489 1.00 1.13 H new ATOM 0 HE21 GLN A 63 -2.170 -4.495 -10.123 1.00 22.41 H new ATOM 0 HE22 GLN A 63 -2.456 -5.148 -11.740 1.00 22.41 H new ATOM 764 N THR A 64 -8.677 -2.657 -9.706 1.00 3.01 N ATOM 765 CA THR A 64 -9.940 -2.320 -9.077 1.00 3.13 C ATOM 766 C THR A 64 -10.409 -3.537 -8.249 1.00 21.15 C ATOM 767 O THR A 64 -9.769 -4.611 -8.318 1.00 50.31 O ATOM 768 CB THR A 64 -11.002 -1.923 -10.153 1.00 73.54 C ATOM 769 OG1 THR A 64 -12.255 -1.511 -9.553 1.00 55.42 O ATOM 770 CG2 THR A 64 -11.264 -3.072 -11.113 1.00 0.45 C ATOM 0 H THR A 64 -8.764 -3.245 -10.535 1.00 3.01 H new ATOM 0 HA THR A 64 -9.814 -1.460 -8.419 1.00 3.13 H new ATOM 0 HB THR A 64 -10.586 -1.078 -10.701 1.00 73.54 H new ATOM 0 HG1 THR A 64 -12.089 -0.789 -8.911 1.00 55.42 H new ATOM 0 HG21 THR A 64 -12.007 -2.768 -11.851 1.00 0.45 H new ATOM 0 HG22 THR A 64 -10.337 -3.341 -11.620 1.00 0.45 H new ATOM 0 HG23 THR A 64 -11.636 -3.933 -10.557 1.00 0.45 H new ATOM 778 N THR A 65 -11.486 -3.367 -7.476 1.00 10.15 N ATOM 779 CA THR A 65 -12.091 -4.397 -6.640 1.00 51.02 C ATOM 780 C THR A 65 -12.239 -5.732 -7.380 1.00 21.04 C ATOM 781 O THR A 65 -11.936 -6.779 -6.829 1.00 34.42 O ATOM 782 CB THR A 65 -13.490 -3.920 -6.076 1.00 41.33 C ATOM 783 OG1 THR A 65 -14.077 -4.920 -5.231 1.00 21.01 O ATOM 784 CG2 THR A 65 -14.480 -3.580 -7.196 1.00 12.43 C ATOM 0 H THR A 65 -11.975 -2.474 -7.416 1.00 10.15 H new ATOM 0 HA THR A 65 -11.413 -4.562 -5.802 1.00 51.02 H new ATOM 0 HB THR A 65 -13.292 -3.018 -5.497 1.00 41.33 H new ATOM 0 HG1 THR A 65 -14.940 -4.599 -4.895 1.00 21.01 H new ATOM 0 HG21 THR A 65 -15.426 -3.258 -6.760 1.00 12.43 H new ATOM 0 HG22 THR A 65 -14.072 -2.778 -7.811 1.00 12.43 H new ATOM 0 HG23 THR A 65 -14.647 -4.462 -7.814 1.00 12.43 H new ATOM 792 N THR A 66 -12.624 -5.672 -8.642 1.00 53.25 N ATOM 793 CA THR A 66 -12.856 -6.855 -9.442 1.00 51.21 C ATOM 794 C THR A 66 -11.548 -7.648 -9.667 1.00 2.35 C ATOM 795 O THR A 66 -11.510 -8.869 -9.515 1.00 30.23 O ATOM 796 CB THR A 66 -13.491 -6.439 -10.776 1.00 44.54 C ATOM 797 OG1 THR A 66 -14.657 -5.641 -10.485 1.00 14.11 O ATOM 798 CG2 THR A 66 -13.893 -7.655 -11.591 1.00 22.34 C ATOM 0 H THR A 66 -12.784 -4.797 -9.140 1.00 53.25 H new ATOM 0 HA THR A 66 -13.538 -7.518 -8.910 1.00 51.21 H new ATOM 0 HB THR A 66 -12.768 -5.870 -11.361 1.00 44.54 H new ATOM 0 HG1 THR A 66 -15.080 -5.361 -11.324 1.00 14.11 H new ATOM 0 HG21 THR A 66 -14.340 -7.331 -12.531 1.00 22.34 H new ATOM 0 HG22 THR A 66 -13.011 -8.262 -11.798 1.00 22.34 H new ATOM 0 HG23 THR A 66 -14.616 -8.246 -11.030 1.00 22.34 H new ATOM 806 N ALA A 67 -10.486 -6.940 -9.991 1.00 64.05 N ATOM 807 CA ALA A 67 -9.183 -7.544 -10.210 1.00 52.03 C ATOM 808 C ALA A 67 -8.643 -8.095 -8.892 1.00 62.30 C ATOM 809 O ALA A 67 -8.163 -9.217 -8.843 1.00 71.10 O ATOM 810 CB ALA A 67 -8.231 -6.527 -10.814 1.00 24.21 C ATOM 0 H ALA A 67 -10.499 -5.927 -10.111 1.00 64.05 H new ATOM 0 HA ALA A 67 -9.279 -8.371 -10.913 1.00 52.03 H new ATOM 0 HB1 ALA A 67 -7.257 -6.990 -10.974 1.00 24.21 H new ATOM 0 HB2 ALA A 67 -8.628 -6.178 -11.767 1.00 24.21 H new ATOM 0 HB3 ALA A 67 -8.123 -5.681 -10.135 1.00 24.21 H new ATOM 816 N PHE A 68 -8.765 -7.297 -7.828 1.00 32.21 N ATOM 817 CA PHE A 68 -8.382 -7.706 -6.463 1.00 54.44 C ATOM 818 C PHE A 68 -9.069 -8.997 -6.104 1.00 44.14 C ATOM 819 O PHE A 68 -8.428 -9.977 -5.727 1.00 31.00 O ATOM 820 CB PHE A 68 -8.805 -6.616 -5.478 1.00 22.11 C ATOM 821 CG PHE A 68 -8.698 -6.960 -3.996 1.00 41.45 C ATOM 822 CD1 PHE A 68 -9.778 -7.523 -3.319 1.00 44.24 C ATOM 823 CD2 PHE A 68 -7.541 -6.715 -3.291 1.00 60.25 C ATOM 824 CE1 PHE A 68 -9.690 -7.834 -1.981 1.00 1.11 C ATOM 825 CE2 PHE A 68 -7.452 -7.027 -1.946 1.00 73.20 C ATOM 826 CZ PHE A 68 -8.527 -7.588 -1.293 1.00 20.41 C ATOM 0 H PHE A 68 -9.132 -6.347 -7.883 1.00 32.21 H new ATOM 0 HA PHE A 68 -7.303 -7.850 -6.417 1.00 54.44 H new ATOM 0 HB2 PHE A 68 -8.198 -5.731 -5.667 1.00 22.11 H new ATOM 0 HB3 PHE A 68 -9.839 -6.345 -5.692 1.00 22.11 H new ATOM 0 HD1 PHE A 68 -10.697 -7.718 -3.852 1.00 44.24 H new ATOM 0 HD2 PHE A 68 -6.693 -6.274 -3.794 1.00 60.25 H new ATOM 0 HE1 PHE A 68 -10.536 -8.272 -1.472 1.00 1.11 H new ATOM 0 HE2 PHE A 68 -6.537 -6.830 -1.407 1.00 73.20 H new ATOM 0 HZ PHE A 68 -8.456 -7.834 -0.244 1.00 20.41 H new ATOM 836 N LEU A 69 -10.379 -8.958 -6.204 1.00 63.45 N ATOM 837 CA LEU A 69 -11.252 -10.122 -5.962 1.00 62.43 C ATOM 838 C LEU A 69 -10.756 -11.353 -6.754 1.00 42.32 C ATOM 839 O LEU A 69 -10.693 -12.469 -6.214 1.00 71.53 O ATOM 840 CB LEU A 69 -12.728 -9.741 -6.301 1.00 30.11 C ATOM 841 CG LEU A 69 -13.884 -10.727 -5.962 1.00 55.53 C ATOM 842 CD1 LEU A 69 -13.905 -11.957 -6.861 1.00 41.13 C ATOM 843 CD2 LEU A 69 -13.851 -11.127 -4.493 1.00 41.45 C ATOM 0 H LEU A 69 -10.890 -8.113 -6.458 1.00 63.45 H new ATOM 0 HA LEU A 69 -11.214 -10.401 -4.909 1.00 62.43 H new ATOM 0 HB2 LEU A 69 -12.945 -8.801 -5.794 1.00 30.11 H new ATOM 0 HB3 LEU A 69 -12.774 -9.543 -7.372 1.00 30.11 H new ATOM 0 HG LEU A 69 -14.811 -10.188 -6.156 1.00 55.53 H new ATOM 0 HD11 LEU A 69 -14.734 -12.604 -6.573 1.00 41.13 H new ATOM 0 HD12 LEU A 69 -14.030 -11.647 -7.899 1.00 41.13 H new ATOM 0 HD13 LEU A 69 -12.966 -12.501 -6.755 1.00 41.13 H new ATOM 0 HD21 LEU A 69 -14.670 -11.816 -4.285 1.00 41.45 H new ATOM 0 HD22 LEU A 69 -12.902 -11.614 -4.270 1.00 41.45 H new ATOM 0 HD23 LEU A 69 -13.958 -10.238 -3.871 1.00 41.45 H new ATOM 855 N GLN A 70 -10.390 -11.143 -8.008 1.00 44.25 N ATOM 856 CA GLN A 70 -9.843 -12.189 -8.831 1.00 12.10 C ATOM 857 C GLN A 70 -8.549 -12.766 -8.239 1.00 34.30 C ATOM 858 O GLN A 70 -8.420 -13.982 -8.092 1.00 24.40 O ATOM 859 CB GLN A 70 -9.638 -11.686 -10.250 1.00 61.04 C ATOM 860 CG GLN A 70 -10.931 -11.535 -11.026 1.00 70.24 C ATOM 861 CD GLN A 70 -10.715 -10.997 -12.415 1.00 31.30 C ATOM 862 OE1 GLN A 70 -10.506 -11.752 -13.358 1.00 54.41 O ATOM 863 NE2 GLN A 70 -10.780 -9.706 -12.557 1.00 13.53 N ATOM 0 H GLN A 70 -10.467 -10.240 -8.476 1.00 44.25 H new ATOM 0 HA GLN A 70 -10.561 -13.009 -8.859 1.00 12.10 H new ATOM 0 HB2 GLN A 70 -9.128 -10.723 -10.217 1.00 61.04 H new ATOM 0 HB3 GLN A 70 -8.982 -12.376 -10.781 1.00 61.04 H new ATOM 0 HG2 GLN A 70 -11.427 -12.503 -11.089 1.00 70.24 H new ATOM 0 HG3 GLN A 70 -11.600 -10.868 -10.483 1.00 70.24 H new ATOM 0 HE21 GLN A 70 -10.956 -9.112 -11.747 1.00 13.53 H new ATOM 0 HE22 GLN A 70 -10.655 -9.287 -13.479 1.00 13.53 H new ATOM 872 N PHE A 71 -7.633 -11.902 -7.832 1.00 40.20 N ATOM 873 CA PHE A 71 -6.362 -12.353 -7.263 1.00 32.12 C ATOM 874 C PHE A 71 -6.606 -13.047 -5.921 1.00 65.20 C ATOM 875 O PHE A 71 -5.953 -14.029 -5.578 1.00 55.53 O ATOM 876 CB PHE A 71 -5.381 -11.191 -7.077 1.00 55.22 C ATOM 877 CG PHE A 71 -5.025 -10.442 -8.326 1.00 43.23 C ATOM 878 CD1 PHE A 71 -4.532 -11.102 -9.437 1.00 5.30 C ATOM 879 CD2 PHE A 71 -5.167 -9.067 -8.379 1.00 3.54 C ATOM 880 CE1 PHE A 71 -4.194 -10.401 -10.578 1.00 23.33 C ATOM 881 CE2 PHE A 71 -4.836 -8.365 -9.515 1.00 62.14 C ATOM 882 CZ PHE A 71 -4.349 -9.031 -10.617 1.00 64.00 C ATOM 0 H PHE A 71 -7.740 -10.889 -7.882 1.00 40.20 H new ATOM 0 HA PHE A 71 -5.916 -13.058 -7.964 1.00 32.12 H new ATOM 0 HB2 PHE A 71 -5.808 -10.488 -6.362 1.00 55.22 H new ATOM 0 HB3 PHE A 71 -4.464 -11.579 -6.633 1.00 55.22 H new ATOM 0 HD1 PHE A 71 -4.410 -12.175 -9.412 1.00 5.30 H new ATOM 0 HD2 PHE A 71 -5.543 -8.537 -7.516 1.00 3.54 H new ATOM 0 HE1 PHE A 71 -3.808 -10.926 -11.440 1.00 23.33 H new ATOM 0 HE2 PHE A 71 -4.958 -7.292 -9.542 1.00 62.14 H new ATOM 0 HZ PHE A 71 -4.089 -8.482 -11.510 1.00 64.00 H new ATOM 892 N PHE A 72 -7.557 -12.536 -5.188 1.00 14.32 N ATOM 893 CA PHE A 72 -7.979 -13.095 -3.933 1.00 72.51 C ATOM 894 C PHE A 72 -8.434 -14.543 -4.114 1.00 0.03 C ATOM 895 O PHE A 72 -7.880 -15.455 -3.480 1.00 12.22 O ATOM 896 CB PHE A 72 -9.091 -12.213 -3.327 1.00 32.32 C ATOM 897 CG PHE A 72 -9.960 -12.901 -2.323 1.00 53.21 C ATOM 898 CD1 PHE A 72 -9.546 -13.097 -1.023 1.00 15.42 C ATOM 899 CD2 PHE A 72 -11.200 -13.362 -2.707 1.00 43.45 C ATOM 900 CE1 PHE A 72 -10.365 -13.750 -0.122 1.00 72.42 C ATOM 901 CE2 PHE A 72 -12.021 -14.009 -1.823 1.00 33.41 C ATOM 902 CZ PHE A 72 -11.607 -14.205 -0.524 1.00 24.14 C ATOM 0 H PHE A 72 -8.073 -11.697 -5.454 1.00 14.32 H new ATOM 0 HA PHE A 72 -7.139 -13.110 -3.239 1.00 72.51 H new ATOM 0 HB2 PHE A 72 -8.630 -11.346 -2.854 1.00 32.32 H new ATOM 0 HB3 PHE A 72 -9.720 -11.839 -4.135 1.00 32.32 H new ATOM 0 HD1 PHE A 72 -8.577 -12.739 -0.707 1.00 15.42 H new ATOM 0 HD2 PHE A 72 -11.530 -13.210 -3.724 1.00 43.45 H new ATOM 0 HE1 PHE A 72 -10.035 -13.905 0.895 1.00 72.42 H new ATOM 0 HE2 PHE A 72 -12.989 -14.364 -2.143 1.00 33.41 H new ATOM 0 HZ PHE A 72 -12.251 -14.713 0.179 1.00 24.14 H new ATOM 912 N ARG A 73 -9.380 -14.759 -5.024 1.00 1.42 N ATOM 913 CA ARG A 73 -9.935 -16.078 -5.242 1.00 1.01 C ATOM 914 C ARG A 73 -8.887 -17.012 -5.824 1.00 13.21 C ATOM 915 O ARG A 73 -8.904 -18.207 -5.566 1.00 50.53 O ATOM 916 CB ARG A 73 -11.207 -16.032 -6.117 1.00 54.33 C ATOM 917 CG ARG A 73 -10.983 -15.619 -7.557 1.00 43.32 C ATOM 918 CD ARG A 73 -12.288 -15.461 -8.303 1.00 20.44 C ATOM 919 NE ARG A 73 -12.064 -15.155 -9.718 1.00 1.42 N ATOM 920 CZ ARG A 73 -13.008 -14.776 -10.585 1.00 22.30 C ATOM 921 NH1 ARG A 73 -14.256 -14.574 -10.171 1.00 75.52 N ATOM 922 NH2 ARG A 73 -12.689 -14.595 -11.865 1.00 11.01 N ATOM 0 H ARG A 73 -9.774 -14.031 -5.620 1.00 1.42 H new ATOM 0 HA ARG A 73 -10.238 -16.474 -4.273 1.00 1.01 H new ATOM 0 HB2 ARG A 73 -11.672 -17.018 -6.106 1.00 54.33 H new ATOM 0 HB3 ARG A 73 -11.916 -15.340 -5.663 1.00 54.33 H new ATOM 0 HG2 ARG A 73 -10.432 -14.679 -7.584 1.00 43.32 H new ATOM 0 HG3 ARG A 73 -10.366 -16.365 -8.058 1.00 43.32 H new ATOM 0 HD2 ARG A 73 -12.871 -16.378 -8.216 1.00 20.44 H new ATOM 0 HD3 ARG A 73 -12.875 -14.665 -7.846 1.00 20.44 H new ATOM 0 HE ARG A 73 -11.110 -15.238 -10.070 1.00 1.42 H new ATOM 0 HH11 ARG A 73 -14.495 -14.708 -9.189 1.00 75.52 H new ATOM 0 HH12 ARG A 73 -14.973 -14.285 -10.836 1.00 75.52 H new ATOM 0 HH21 ARG A 73 -11.730 -14.746 -12.178 1.00 11.01 H new ATOM 0 HH22 ARG A 73 -13.404 -14.306 -12.533 1.00 11.01 H new ATOM 936 N GLN A 74 -7.948 -16.447 -6.578 1.00 44.42 N ATOM 937 CA GLN A 74 -6.866 -17.222 -7.138 1.00 41.15 C ATOM 938 C GLN A 74 -5.833 -17.621 -6.084 1.00 32.44 C ATOM 939 O GLN A 74 -5.031 -18.517 -6.306 1.00 44.13 O ATOM 940 CB GLN A 74 -6.229 -16.519 -8.331 1.00 32.32 C ATOM 941 CG GLN A 74 -7.153 -16.455 -9.524 1.00 15.41 C ATOM 942 CD GLN A 74 -6.591 -15.681 -10.689 1.00 42.15 C ATOM 943 OE1 GLN A 74 -6.803 -14.472 -10.804 1.00 1.03 O ATOM 944 NE2 GLN A 74 -5.895 -16.351 -11.561 1.00 20.50 N ATOM 0 H GLN A 74 -7.922 -15.454 -6.810 1.00 44.42 H new ATOM 0 HA GLN A 74 -7.300 -18.151 -7.509 1.00 41.15 H new ATOM 0 HB2 GLN A 74 -5.942 -15.508 -8.042 1.00 32.32 H new ATOM 0 HB3 GLN A 74 -5.314 -17.042 -8.611 1.00 32.32 H new ATOM 0 HG2 GLN A 74 -7.381 -17.470 -9.850 1.00 15.41 H new ATOM 0 HG3 GLN A 74 -8.095 -16.000 -9.218 1.00 15.41 H new ATOM 0 HE21 GLN A 74 -5.741 -17.351 -11.431 1.00 20.50 H new ATOM 0 HE22 GLN A 74 -5.503 -15.876 -12.374 1.00 20.50 H new ATOM 953 N GLY A 75 -5.873 -16.979 -4.930 1.00 12.13 N ATOM 954 CA GLY A 75 -4.989 -17.369 -3.858 1.00 54.22 C ATOM 955 C GLY A 75 -3.822 -16.437 -3.637 1.00 42.02 C ATOM 956 O GLY A 75 -2.890 -16.773 -2.907 1.00 21.31 O ATOM 0 H GLY A 75 -6.497 -16.201 -4.718 1.00 12.13 H new ATOM 0 HA2 GLY A 75 -5.565 -17.434 -2.935 1.00 54.22 H new ATOM 0 HA3 GLY A 75 -4.605 -18.368 -4.066 1.00 54.22 H new ATOM 960 N LEU A 76 -3.878 -15.271 -4.218 1.00 3.31 N ATOM 961 CA LEU A 76 -2.806 -14.294 -4.075 1.00 52.40 C ATOM 962 C LEU A 76 -2.819 -13.671 -2.687 1.00 64.52 C ATOM 963 O LEU A 76 -1.855 -13.780 -1.931 1.00 4.31 O ATOM 964 CB LEU A 76 -2.910 -13.170 -5.134 1.00 43.11 C ATOM 965 CG LEU A 76 -2.521 -13.474 -6.603 1.00 13.31 C ATOM 966 CD1 LEU A 76 -1.042 -13.773 -6.727 1.00 11.42 C ATOM 967 CD2 LEU A 76 -3.327 -14.617 -7.195 1.00 71.41 C ATOM 0 H LEU A 76 -4.655 -14.962 -4.801 1.00 3.31 H new ATOM 0 HA LEU A 76 -1.869 -14.831 -4.225 1.00 52.40 H new ATOM 0 HB2 LEU A 76 -3.941 -12.815 -5.135 1.00 43.11 H new ATOM 0 HB3 LEU A 76 -2.288 -12.342 -4.795 1.00 43.11 H new ATOM 0 HG LEU A 76 -2.754 -12.574 -7.172 1.00 13.31 H new ATOM 0 HD11 LEU A 76 -0.799 -13.982 -7.769 1.00 11.42 H new ATOM 0 HD12 LEU A 76 -0.467 -12.912 -6.386 1.00 11.42 H new ATOM 0 HD13 LEU A 76 -0.794 -14.640 -6.115 1.00 11.42 H new ATOM 0 HD21 LEU A 76 -3.014 -14.788 -8.225 1.00 71.41 H new ATOM 0 HD22 LEU A 76 -3.159 -15.522 -6.610 1.00 71.41 H new ATOM 0 HD23 LEU A 76 -4.387 -14.363 -7.175 1.00 71.41 H new ATOM 979 N PHE A 77 -3.939 -13.088 -2.317 1.00 14.15 N ATOM 980 CA PHE A 77 -4.003 -12.320 -1.082 1.00 34.20 C ATOM 981 C PHE A 77 -4.242 -13.178 0.129 1.00 11.51 C ATOM 982 O PHE A 77 -4.159 -12.708 1.241 1.00 73.23 O ATOM 983 CB PHE A 77 -5.041 -11.209 -1.165 1.00 43.15 C ATOM 984 CG PHE A 77 -4.790 -10.254 -2.290 1.00 55.03 C ATOM 985 CD1 PHE A 77 -5.742 -10.064 -3.262 1.00 11.12 C ATOM 986 CD2 PHE A 77 -3.590 -9.560 -2.384 1.00 43.13 C ATOM 987 CE1 PHE A 77 -5.517 -9.205 -4.304 1.00 15.13 C ATOM 988 CE2 PHE A 77 -3.361 -8.696 -3.429 1.00 50.12 C ATOM 989 CZ PHE A 77 -4.330 -8.518 -4.390 1.00 3.23 C ATOM 0 H PHE A 77 -4.812 -13.127 -2.844 1.00 14.15 H new ATOM 0 HA PHE A 77 -3.020 -11.865 -0.962 1.00 34.20 H new ATOM 0 HB2 PHE A 77 -6.030 -11.652 -1.286 1.00 43.15 H new ATOM 0 HB3 PHE A 77 -5.051 -10.658 -0.224 1.00 43.15 H new ATOM 0 HD1 PHE A 77 -6.679 -10.598 -3.203 1.00 11.12 H new ATOM 0 HD2 PHE A 77 -2.830 -9.700 -1.629 1.00 43.13 H new ATOM 0 HE1 PHE A 77 -6.275 -9.067 -5.061 1.00 15.13 H new ATOM 0 HE2 PHE A 77 -2.426 -8.160 -3.495 1.00 50.12 H new ATOM 0 HZ PHE A 77 -4.158 -7.839 -5.212 1.00 3.23 H new ATOM 999 N LYS A 78 -4.468 -14.460 -0.068 1.00 23.43 N ATOM 1000 CA LYS A 78 -4.712 -15.313 1.071 1.00 14.13 C ATOM 1001 C LYS A 78 -3.435 -15.554 1.886 1.00 55.32 C ATOM 1002 O LYS A 78 -3.477 -16.035 3.012 1.00 13.22 O ATOM 1003 CB LYS A 78 -5.511 -16.596 0.712 1.00 51.51 C ATOM 1004 CG LYS A 78 -4.907 -17.558 -0.319 1.00 54.21 C ATOM 1005 CD LYS A 78 -3.705 -18.323 0.208 1.00 1.11 C ATOM 1006 CE LYS A 78 -3.239 -19.393 -0.775 1.00 42.21 C ATOM 1007 NZ LYS A 78 -4.240 -20.467 -0.955 1.00 63.43 N ATOM 0 H LYS A 78 -4.488 -14.922 -0.977 1.00 23.43 H new ATOM 0 HA LYS A 78 -5.381 -14.774 1.742 1.00 14.13 H new ATOM 0 HB2 LYS A 78 -5.676 -17.155 1.633 1.00 51.51 H new ATOM 0 HB3 LYS A 78 -6.491 -16.288 0.347 1.00 51.51 H new ATOM 0 HG2 LYS A 78 -5.671 -18.268 -0.635 1.00 54.21 H new ATOM 0 HG3 LYS A 78 -4.611 -16.994 -1.203 1.00 54.21 H new ATOM 0 HD2 LYS A 78 -2.888 -17.628 0.403 1.00 1.11 H new ATOM 0 HD3 LYS A 78 -3.960 -18.790 1.160 1.00 1.11 H new ATOM 0 HE2 LYS A 78 -3.029 -18.930 -1.739 1.00 42.21 H new ATOM 0 HE3 LYS A 78 -2.304 -19.827 -0.420 1.00 42.21 H new ATOM 0 HZ1 LYS A 78 -3.793 -21.284 -1.418 1.00 63.43 H new ATOM 0 HZ2 LYS A 78 -4.611 -20.755 -0.027 1.00 63.43 H new ATOM 0 HZ3 LYS A 78 -5.021 -20.118 -1.546 1.00 63.43 H new ATOM 1021 N LYS A 79 -2.291 -15.217 1.295 1.00 44.43 N ATOM 1022 CA LYS A 79 -1.014 -15.290 1.986 1.00 62.35 C ATOM 1023 C LYS A 79 -0.766 -14.010 2.782 1.00 2.23 C ATOM 1024 O LYS A 79 0.058 -13.978 3.698 1.00 11.02 O ATOM 1025 CB LYS A 79 0.101 -15.497 0.974 1.00 54.02 C ATOM 1026 CG LYS A 79 -0.045 -16.765 0.149 1.00 4.45 C ATOM 1027 CD LYS A 79 0.036 -18.030 1.008 1.00 13.33 C ATOM 1028 CE LYS A 79 1.381 -18.168 1.720 1.00 31.34 C ATOM 1029 NZ LYS A 79 1.422 -19.373 2.571 1.00 14.13 N ATOM 0 H LYS A 79 -2.227 -14.889 0.331 1.00 44.43 H new ATOM 0 HA LYS A 79 -1.034 -16.131 2.679 1.00 62.35 H new ATOM 0 HB2 LYS A 79 0.132 -14.639 0.302 1.00 54.02 H new ATOM 0 HB3 LYS A 79 1.055 -15.525 1.500 1.00 54.02 H new ATOM 0 HG2 LYS A 79 -1.000 -16.746 -0.376 1.00 4.45 H new ATOM 0 HG3 LYS A 79 0.736 -16.794 -0.610 1.00 4.45 H new ATOM 0 HD2 LYS A 79 -0.764 -18.014 1.749 1.00 13.33 H new ATOM 0 HD3 LYS A 79 -0.130 -18.904 0.378 1.00 13.33 H new ATOM 0 HE2 LYS A 79 2.181 -18.216 0.982 1.00 31.34 H new ATOM 0 HE3 LYS A 79 1.563 -17.284 2.331 1.00 31.34 H new ATOM 0 HZ1 LYS A 79 2.348 -19.436 3.039 1.00 14.13 H new ATOM 0 HZ2 LYS A 79 0.673 -19.315 3.291 1.00 14.13 H new ATOM 0 HZ3 LYS A 79 1.273 -20.218 1.984 1.00 14.13 H new ATOM 1043 N LEU A 80 -1.517 -12.979 2.454 1.00 62.42 N ATOM 1044 CA LEU A 80 -1.382 -11.680 3.089 1.00 2.22 C ATOM 1045 C LEU A 80 -2.302 -11.651 4.315 1.00 73.11 C ATOM 1046 O LEU A 80 -2.111 -10.873 5.218 1.00 53.13 O ATOM 1047 CB LEU A 80 -1.727 -10.570 2.031 1.00 52.41 C ATOM 1048 CG LEU A 80 -1.431 -9.068 2.347 1.00 72.13 C ATOM 1049 CD1 LEU A 80 -2.392 -8.468 3.364 1.00 10.42 C ATOM 1050 CD2 LEU A 80 0.016 -8.881 2.797 1.00 4.24 C ATOM 0 H LEU A 80 -2.242 -13.016 1.737 1.00 62.42 H new ATOM 0 HA LEU A 80 -0.366 -11.491 3.435 1.00 2.22 H new ATOM 0 HB2 LEU A 80 -1.193 -10.819 1.114 1.00 52.41 H new ATOM 0 HB3 LEU A 80 -2.792 -10.651 1.812 1.00 52.41 H new ATOM 0 HG LEU A 80 -1.587 -8.524 1.415 1.00 72.13 H new ATOM 0 HD11 LEU A 80 -2.132 -7.424 3.539 1.00 10.42 H new ATOM 0 HD12 LEU A 80 -3.411 -8.529 2.982 1.00 10.42 H new ATOM 0 HD13 LEU A 80 -2.322 -9.021 4.301 1.00 10.42 H new ATOM 0 HD21 LEU A 80 0.197 -7.828 3.011 1.00 4.24 H new ATOM 0 HD22 LEU A 80 0.196 -9.470 3.696 1.00 4.24 H new ATOM 0 HD23 LEU A 80 0.689 -9.211 2.006 1.00 4.24 H new ATOM 1062 N LYS A 81 -3.223 -12.603 4.356 1.00 23.22 N ATOM 1063 CA LYS A 81 -4.231 -12.726 5.420 1.00 63.43 C ATOM 1064 C LYS A 81 -3.588 -12.720 6.832 1.00 64.31 C ATOM 1065 O LYS A 81 -4.083 -12.066 7.756 1.00 50.15 O ATOM 1066 CB LYS A 81 -5.072 -14.032 5.161 1.00 13.15 C ATOM 1067 CG LYS A 81 -6.230 -14.354 6.138 1.00 54.21 C ATOM 1068 CD LYS A 81 -5.729 -14.791 7.509 1.00 60.01 C ATOM 1069 CE LYS A 81 -6.845 -15.075 8.466 1.00 63.23 C ATOM 1070 NZ LYS A 81 -6.335 -15.264 9.835 1.00 32.21 N ATOM 0 H LYS A 81 -3.299 -13.328 3.643 1.00 23.22 H new ATOM 0 HA LYS A 81 -4.892 -11.860 5.394 1.00 63.43 H new ATOM 0 HB2 LYS A 81 -5.490 -13.967 4.157 1.00 13.15 H new ATOM 0 HB3 LYS A 81 -4.385 -14.878 5.166 1.00 13.15 H new ATOM 0 HG2 LYS A 81 -6.863 -13.474 6.249 1.00 54.21 H new ATOM 0 HG3 LYS A 81 -6.852 -15.142 5.713 1.00 54.21 H new ATOM 0 HD2 LYS A 81 -5.113 -15.684 7.399 1.00 60.01 H new ATOM 0 HD3 LYS A 81 -5.089 -14.012 7.923 1.00 60.01 H new ATOM 0 HE2 LYS A 81 -7.559 -14.252 8.451 1.00 63.23 H new ATOM 0 HE3 LYS A 81 -7.382 -15.969 8.148 1.00 63.23 H new ATOM 0 HZ1 LYS A 81 -7.129 -15.459 10.477 1.00 32.21 H new ATOM 0 HZ2 LYS A 81 -5.672 -16.065 9.851 1.00 32.21 H new ATOM 0 HZ3 LYS A 81 -5.843 -14.401 10.145 1.00 32.21 H new ATOM 1084 N ASP A 82 -2.480 -13.416 6.986 1.00 74.35 N ATOM 1085 CA ASP A 82 -1.851 -13.567 8.305 1.00 62.21 C ATOM 1086 C ASP A 82 -0.857 -12.419 8.599 1.00 21.44 C ATOM 1087 O ASP A 82 -0.055 -12.487 9.519 1.00 3.22 O ATOM 1088 CB ASP A 82 -1.183 -14.953 8.416 1.00 50.04 C ATOM 1089 CG ASP A 82 -0.763 -15.324 9.834 1.00 40.42 C ATOM 1090 OD1 ASP A 82 -1.669 -15.517 10.707 1.00 33.21 O ATOM 1091 OD2 ASP A 82 0.466 -15.473 10.089 1.00 35.32 O ATOM 0 H ASP A 82 -1.990 -13.888 6.226 1.00 74.35 H new ATOM 0 HA ASP A 82 -2.627 -13.503 9.067 1.00 62.21 H new ATOM 0 HB2 ASP A 82 -1.873 -15.709 8.042 1.00 50.04 H new ATOM 0 HB3 ASP A 82 -0.305 -14.975 7.770 1.00 50.04 H new ATOM 1096 N ALA A 83 -0.932 -11.359 7.817 1.00 62.32 N ATOM 1097 CA ALA A 83 -0.040 -10.218 7.979 1.00 5.02 C ATOM 1098 C ALA A 83 -0.248 -9.481 9.301 1.00 22.41 C ATOM 1099 O ALA A 83 -1.349 -9.466 9.867 1.00 35.13 O ATOM 1100 CB ALA A 83 -0.167 -9.256 6.818 1.00 64.24 C ATOM 0 H ALA A 83 -1.605 -11.261 7.057 1.00 62.32 H new ATOM 0 HA ALA A 83 0.971 -10.625 7.995 1.00 5.02 H new ATOM 0 HB1 ALA A 83 0.510 -8.415 6.967 1.00 64.24 H new ATOM 0 HB2 ALA A 83 0.089 -9.769 5.891 1.00 64.24 H new ATOM 0 HB3 ALA A 83 -1.192 -8.890 6.759 1.00 64.24 H new ATOM 1106 N GLU A 84 0.821 -8.888 9.770 1.00 31.21 N ATOM 1107 CA GLU A 84 0.854 -8.135 11.011 1.00 4.43 C ATOM 1108 C GLU A 84 0.920 -6.661 10.650 1.00 45.13 C ATOM 1109 O GLU A 84 1.712 -6.283 9.761 1.00 51.24 O ATOM 1110 CB GLU A 84 2.122 -8.503 11.759 1.00 64.54 C ATOM 1111 CG GLU A 84 2.310 -9.990 11.970 1.00 5.01 C ATOM 1112 CD GLU A 84 3.681 -10.302 12.485 1.00 51.23 C ATOM 1113 OE1 GLU A 84 3.865 -10.387 13.709 1.00 24.01 O ATOM 1114 OE2 GLU A 84 4.600 -10.432 11.683 1.00 24.44 O ATOM 0 H GLU A 84 1.721 -8.913 9.290 1.00 31.21 H new ATOM 0 HA GLU A 84 -0.022 -8.349 11.624 1.00 4.43 H new ATOM 0 HB2 GLU A 84 2.980 -8.114 11.210 1.00 64.54 H new ATOM 0 HB3 GLU A 84 2.114 -8.008 12.730 1.00 64.54 H new ATOM 0 HG2 GLU A 84 1.563 -10.356 12.675 1.00 5.01 H new ATOM 0 HG3 GLU A 84 2.145 -10.516 11.030 1.00 5.01 H new ATOM 1121 N PHE A 85 0.151 -5.829 11.317 1.00 31.20 N ATOM 1122 CA PHE A 85 0.101 -4.423 10.964 1.00 42.21 C ATOM 1123 C PHE A 85 0.959 -3.551 11.843 1.00 11.44 C ATOM 1124 O PHE A 85 1.046 -3.735 13.058 1.00 14.03 O ATOM 1125 CB PHE A 85 -1.341 -3.866 10.873 1.00 61.12 C ATOM 1126 CG PHE A 85 -2.178 -3.947 12.126 1.00 53.03 C ATOM 1127 CD1 PHE A 85 -2.944 -5.070 12.391 1.00 23.00 C ATOM 1128 CD2 PHE A 85 -2.218 -2.886 13.022 1.00 30.42 C ATOM 1129 CE1 PHE A 85 -3.727 -5.138 13.525 1.00 24.22 C ATOM 1130 CE2 PHE A 85 -2.996 -2.950 14.159 1.00 1.43 C ATOM 1131 CZ PHE A 85 -3.753 -4.079 14.411 1.00 53.33 C ATOM 0 H PHE A 85 -0.445 -6.096 12.101 1.00 31.20 H new ATOM 0 HA PHE A 85 0.528 -4.383 9.962 1.00 42.21 H new ATOM 0 HB2 PHE A 85 -1.284 -2.821 10.569 1.00 61.12 H new ATOM 0 HB3 PHE A 85 -1.863 -4.401 10.080 1.00 61.12 H new ATOM 0 HD1 PHE A 85 -2.928 -5.902 11.702 1.00 23.00 H new ATOM 0 HD2 PHE A 85 -1.633 -2.000 12.826 1.00 30.42 H new ATOM 0 HE1 PHE A 85 -4.320 -6.020 13.720 1.00 24.22 H new ATOM 0 HE2 PHE A 85 -3.014 -2.121 14.850 1.00 1.43 H new ATOM 0 HZ PHE A 85 -4.364 -4.133 15.300 1.00 53.33 H new ATOM 1141 N ALA A 86 1.585 -2.607 11.213 1.00 63.52 N ATOM 1142 CA ALA A 86 2.370 -1.623 11.872 1.00 63.53 C ATOM 1143 C ALA A 86 1.522 -0.377 11.969 1.00 4.11 C ATOM 1144 O ALA A 86 0.990 0.103 10.951 1.00 14.31 O ATOM 1145 CB ALA A 86 3.643 -1.351 11.085 1.00 22.14 C ATOM 0 H ALA A 86 1.561 -2.501 10.199 1.00 63.52 H new ATOM 0 HA ALA A 86 2.670 -1.960 12.864 1.00 63.53 H new ATOM 0 HB1 ALA A 86 4.235 -0.595 11.601 1.00 22.14 H new ATOM 0 HB2 ALA A 86 4.222 -2.271 11.001 1.00 22.14 H new ATOM 0 HB3 ALA A 86 3.385 -0.992 10.089 1.00 22.14 H new ATOM 1151 N ILE A 87 1.345 0.114 13.163 1.00 14.23 N ATOM 1152 CA ILE A 87 0.527 1.275 13.369 1.00 13.01 C ATOM 1153 C ILE A 87 1.267 2.548 12.967 1.00 45.23 C ATOM 1154 O ILE A 87 2.142 3.063 13.689 1.00 34.20 O ATOM 1155 CB ILE A 87 -0.062 1.365 14.821 1.00 74.31 C ATOM 1156 CG1 ILE A 87 -0.847 2.685 15.021 1.00 1.32 C ATOM 1157 CG2 ILE A 87 1.015 1.178 15.886 1.00 0.11 C ATOM 1158 CD1 ILE A 87 -1.452 2.861 16.403 1.00 52.15 C ATOM 0 H ILE A 87 1.758 -0.274 14.011 1.00 14.23 H new ATOM 0 HA ILE A 87 -0.336 1.170 12.711 1.00 13.01 H new ATOM 0 HB ILE A 87 -0.765 0.541 14.941 1.00 74.31 H new ATOM 0 HG12 ILE A 87 -0.179 3.523 14.823 1.00 1.32 H new ATOM 0 HG13 ILE A 87 -1.646 2.732 14.281 1.00 1.32 H new ATOM 0 HG21 ILE A 87 0.564 1.248 16.876 1.00 0.11 H new ATOM 0 HG22 ILE A 87 1.479 0.199 15.767 1.00 0.11 H new ATOM 0 HG23 ILE A 87 1.773 1.954 15.777 1.00 0.11 H new ATOM 0 HD11 ILE A 87 -1.982 3.812 16.450 1.00 52.15 H new ATOM 0 HD12 ILE A 87 -2.149 2.047 16.601 1.00 52.15 H new ATOM 0 HD13 ILE A 87 -0.659 2.850 17.151 1.00 52.15 H new ATOM 1170 N ASN A 88 0.975 2.996 11.783 1.00 72.34 N ATOM 1171 CA ASN A 88 1.511 4.229 11.293 1.00 30.14 C ATOM 1172 C ASN A 88 0.639 5.330 11.849 1.00 63.10 C ATOM 1173 O ASN A 88 -0.598 5.258 11.747 1.00 1.41 O ATOM 1174 CB ASN A 88 1.533 4.240 9.757 1.00 74.15 C ATOM 1175 CG ASN A 88 2.287 5.430 9.179 1.00 34.42 C ATOM 1176 OD1 ASN A 88 1.709 6.477 8.886 1.00 22.02 O ATOM 1177 ND2 ASN A 88 3.574 5.277 9.016 1.00 44.51 N ATOM 0 H ASN A 88 0.357 2.516 11.129 1.00 72.34 H new ATOM 0 HA ASN A 88 2.544 4.367 11.612 1.00 30.14 H new ATOM 0 HB2 ASN A 88 1.992 3.318 9.400 1.00 74.15 H new ATOM 0 HB3 ASN A 88 0.509 4.251 9.385 1.00 74.15 H new ATOM 0 HD21 ASN A 88 4.134 6.040 8.635 1.00 44.51 H new ATOM 0 HD22 ASN A 88 4.019 4.395 9.270 1.00 44.51 H new ATOM 1184 N VAL A 89 1.258 6.296 12.481 1.00 5.35 N ATOM 1185 CA VAL A 89 0.545 7.347 13.183 1.00 33.31 C ATOM 1186 C VAL A 89 -0.290 8.202 12.240 1.00 31.41 C ATOM 1187 O VAL A 89 0.239 8.986 11.454 1.00 43.15 O ATOM 1188 CB VAL A 89 1.508 8.244 14.016 1.00 62.12 C ATOM 1189 CG1 VAL A 89 0.741 9.340 14.747 1.00 0.52 C ATOM 1190 CG2 VAL A 89 2.294 7.402 15.015 1.00 62.43 C ATOM 0 H VAL A 89 2.273 6.380 12.526 1.00 5.35 H new ATOM 0 HA VAL A 89 -0.135 6.846 13.872 1.00 33.31 H new ATOM 0 HB VAL A 89 2.206 8.716 13.325 1.00 62.12 H new ATOM 0 HG11 VAL A 89 1.438 9.951 15.321 1.00 0.52 H new ATOM 0 HG12 VAL A 89 0.221 9.966 14.022 1.00 0.52 H new ATOM 0 HG13 VAL A 89 0.015 8.887 15.422 1.00 0.52 H new ATOM 0 HG21 VAL A 89 2.961 8.046 15.588 1.00 62.43 H new ATOM 0 HG22 VAL A 89 1.602 6.902 15.693 1.00 62.43 H new ATOM 0 HG23 VAL A 89 2.881 6.656 14.480 1.00 62.43 H new ATOM 1200 N SER A 90 -1.580 8.014 12.307 1.00 1.54 N ATOM 1201 CA SER A 90 -2.506 8.791 11.541 1.00 43.22 C ATOM 1202 C SER A 90 -2.899 10.017 12.377 1.00 33.54 C ATOM 1203 O SER A 90 -2.554 10.096 13.578 1.00 40.03 O ATOM 1204 CB SER A 90 -3.723 7.927 11.222 1.00 50.43 C ATOM 1205 OG SER A 90 -3.313 6.703 10.620 1.00 52.41 O ATOM 0 H SER A 90 -2.018 7.310 12.901 1.00 1.54 H new ATOM 0 HA SER A 90 -2.067 9.126 10.601 1.00 43.22 H new ATOM 0 HB2 SER A 90 -4.282 7.722 12.135 1.00 50.43 H new ATOM 0 HB3 SER A 90 -4.394 8.464 10.551 1.00 50.43 H new ATOM 0 HG SER A 90 -4.101 6.156 10.421 1.00 52.41 H new ATOM 1211 N GLY A 91 -3.581 10.958 11.789 1.00 1.32 N ATOM 1212 CA GLY A 91 -3.966 12.127 12.513 1.00 71.42 C ATOM 1213 C GLY A 91 -5.165 11.878 13.366 1.00 72.21 C ATOM 1214 O GLY A 91 -6.099 11.161 12.958 1.00 2.33 O ATOM 0 H GLY A 91 -3.879 10.936 10.814 1.00 1.32 H new ATOM 0 HA2 GLY A 91 -3.137 12.457 13.138 1.00 71.42 H new ATOM 0 HA3 GLY A 91 -4.179 12.935 11.813 1.00 71.42 H new ATOM 1218 N LYS A 92 -5.140 12.412 14.550 1.00 60.22 N ATOM 1219 CA LYS A 92 -6.237 12.279 15.457 1.00 54.23 C ATOM 1220 C LYS A 92 -7.379 13.180 15.012 1.00 44.12 C ATOM 1221 O LYS A 92 -8.521 12.728 14.888 1.00 44.41 O ATOM 1222 CB LYS A 92 -5.802 12.635 16.884 1.00 65.41 C ATOM 1223 CG LYS A 92 -6.899 12.462 17.919 1.00 45.22 C ATOM 1224 CD LYS A 92 -6.457 12.924 19.290 1.00 3.42 C ATOM 1225 CE LYS A 92 -7.598 12.860 20.291 1.00 54.45 C ATOM 1226 NZ LYS A 92 -8.103 11.480 20.500 1.00 62.41 N ATOM 0 H LYS A 92 -4.356 12.953 14.914 1.00 60.22 H new ATOM 0 HA LYS A 92 -6.576 11.243 15.453 1.00 54.23 H new ATOM 0 HB2 LYS A 92 -4.952 12.011 17.161 1.00 65.41 H new ATOM 0 HB3 LYS A 92 -5.458 13.669 16.902 1.00 65.41 H new ATOM 0 HG2 LYS A 92 -7.780 13.026 17.612 1.00 45.22 H new ATOM 0 HG3 LYS A 92 -7.192 11.413 17.966 1.00 45.22 H new ATOM 0 HD2 LYS A 92 -5.632 12.302 19.637 1.00 3.42 H new ATOM 0 HD3 LYS A 92 -6.082 13.946 19.228 1.00 3.42 H new ATOM 0 HE2 LYS A 92 -7.262 13.267 21.245 1.00 54.45 H new ATOM 0 HE3 LYS A 92 -8.415 13.492 19.944 1.00 54.45 H new ATOM 0 HZ1 LYS A 92 -8.809 11.481 21.264 1.00 62.41 H new ATOM 0 HZ2 LYS A 92 -8.543 11.135 19.623 1.00 62.41 H new ATOM 0 HZ3 LYS A 92 -7.312 10.857 20.760 1.00 62.41 H new ATOM 1240 N VAL A 93 -7.063 14.452 14.762 1.00 63.13 N ATOM 1241 CA VAL A 93 -8.065 15.425 14.361 1.00 24.22 C ATOM 1242 C VAL A 93 -7.529 16.337 13.252 1.00 41.43 C ATOM 1243 O VAL A 93 -6.821 17.318 13.537 1.00 71.12 O ATOM 1244 CB VAL A 93 -8.536 16.339 15.554 1.00 75.30 C ATOM 1245 CG1 VAL A 93 -9.617 17.317 15.111 1.00 23.14 C ATOM 1246 CG2 VAL A 93 -9.029 15.526 16.740 1.00 21.43 C ATOM 0 H VAL A 93 -6.117 14.827 14.832 1.00 63.13 H new ATOM 0 HA VAL A 93 -8.916 14.844 14.005 1.00 24.22 H new ATOM 0 HB VAL A 93 -7.660 16.903 15.874 1.00 75.30 H new ATOM 0 HG11 VAL A 93 -9.920 17.933 15.958 1.00 23.14 H new ATOM 0 HG12 VAL A 93 -9.227 17.956 14.319 1.00 23.14 H new ATOM 0 HG13 VAL A 93 -10.479 16.763 14.739 1.00 23.14 H new ATOM 0 HG21 VAL A 93 -9.343 16.199 17.537 1.00 21.43 H new ATOM 0 HG22 VAL A 93 -9.873 14.909 16.432 1.00 21.43 H new ATOM 0 HG23 VAL A 93 -8.225 14.886 17.102 1.00 21.43 H new ATOM 1256 N LYS A 94 -7.783 15.975 12.012 1.00 30.42 N ATOM 1257 CA LYS A 94 -7.517 16.845 10.876 1.00 21.43 C ATOM 1258 C LYS A 94 -8.658 16.726 9.885 1.00 2.01 C ATOM 1259 O LYS A 94 -9.106 15.627 9.569 1.00 73.21 O ATOM 1260 CB LYS A 94 -6.143 16.616 10.173 1.00 53.44 C ATOM 1261 CG LYS A 94 -4.920 16.910 11.051 1.00 3.20 C ATOM 1262 CD LYS A 94 -3.624 17.130 10.245 1.00 1.34 C ATOM 1263 CE LYS A 94 -3.151 15.911 9.457 1.00 73.41 C ATOM 1264 NZ LYS A 94 -2.895 14.737 10.319 1.00 14.50 N ATOM 0 H LYS A 94 -8.180 15.070 11.759 1.00 30.42 H new ATOM 0 HA LYS A 94 -7.450 17.857 11.274 1.00 21.43 H new ATOM 0 HB2 LYS A 94 -6.091 15.581 9.835 1.00 53.44 H new ATOM 0 HB3 LYS A 94 -6.095 17.245 9.284 1.00 53.44 H new ATOM 0 HG2 LYS A 94 -5.119 17.797 11.653 1.00 3.20 H new ATOM 0 HG3 LYS A 94 -4.772 16.081 11.743 1.00 3.20 H new ATOM 0 HD2 LYS A 94 -3.779 17.957 9.552 1.00 1.34 H new ATOM 0 HD3 LYS A 94 -2.832 17.433 10.930 1.00 1.34 H new ATOM 0 HE2 LYS A 94 -3.903 15.652 8.711 1.00 73.41 H new ATOM 0 HE3 LYS A 94 -2.239 16.165 8.916 1.00 73.41 H new ATOM 0 HZ1 LYS A 94 -2.404 14.003 9.769 1.00 14.50 H new ATOM 0 HZ2 LYS A 94 -2.302 15.021 11.125 1.00 14.50 H new ATOM 0 HZ3 LYS A 94 -3.799 14.360 10.670 1.00 14.50 H new ATOM 1278 N GLU A 95 -9.123 17.860 9.404 1.00 13.00 N ATOM 1279 CA GLU A 95 -10.278 17.935 8.496 1.00 3.33 C ATOM 1280 C GLU A 95 -9.945 17.483 7.070 1.00 51.54 C ATOM 1281 O GLU A 95 -10.811 17.481 6.197 1.00 22.12 O ATOM 1282 CB GLU A 95 -10.813 19.360 8.462 1.00 71.32 C ATOM 1283 CG GLU A 95 -9.754 20.369 8.067 1.00 20.33 C ATOM 1284 CD GLU A 95 -10.271 21.759 7.958 1.00 43.42 C ATOM 1285 OE1 GLU A 95 -10.431 22.434 8.995 1.00 14.22 O ATOM 1286 OE2 GLU A 95 -10.476 22.226 6.826 1.00 33.34 O ATOM 0 H GLU A 95 -8.716 18.769 9.626 1.00 13.00 H new ATOM 0 HA GLU A 95 -11.032 17.251 8.885 1.00 3.33 H new ATOM 0 HB2 GLU A 95 -11.644 19.416 7.758 1.00 71.32 H new ATOM 0 HB3 GLU A 95 -11.209 19.619 9.444 1.00 71.32 H new ATOM 0 HG2 GLU A 95 -8.949 20.346 8.802 1.00 20.33 H new ATOM 0 HG3 GLU A 95 -9.321 20.075 7.111 1.00 20.33 H new ATOM 1293 N GLY A 96 -8.719 17.113 6.833 1.00 23.23 N ATOM 1294 CA GLY A 96 -8.333 16.681 5.528 1.00 23.04 C ATOM 1295 C GLY A 96 -6.988 16.030 5.538 1.00 30.53 C ATOM 1296 O GLY A 96 -5.976 16.714 5.544 1.00 35.22 O ATOM 0 H GLY A 96 -7.973 17.103 7.528 1.00 23.23 H new ATOM 0 HA2 GLY A 96 -9.074 15.981 5.142 1.00 23.04 H new ATOM 0 HA3 GLY A 96 -8.319 17.535 4.851 1.00 23.04 H new ATOM 1300 N GLU A 97 -6.961 14.717 5.574 1.00 13.54 N ATOM 1301 CA GLU A 97 -5.719 13.981 5.542 1.00 23.04 C ATOM 1302 C GLU A 97 -5.967 12.583 5.025 1.00 2.24 C ATOM 1303 O GLU A 97 -7.127 12.192 4.787 1.00 23.32 O ATOM 1304 CB GLU A 97 -5.081 13.889 6.932 1.00 22.11 C ATOM 1305 CG GLU A 97 -5.887 13.082 7.940 1.00 3.33 C ATOM 1306 CD GLU A 97 -5.123 12.825 9.208 1.00 53.12 C ATOM 1307 OE1 GLU A 97 -5.301 13.577 10.184 1.00 72.34 O ATOM 1308 OE2 GLU A 97 -4.297 11.896 9.245 1.00 20.31 O ATOM 0 H GLU A 97 -7.795 14.132 5.626 1.00 13.54 H new ATOM 0 HA GLU A 97 -5.036 14.516 4.882 1.00 23.04 H new ATOM 0 HB2 GLU A 97 -4.091 13.443 6.836 1.00 22.11 H new ATOM 0 HB3 GLU A 97 -4.940 14.897 7.321 1.00 22.11 H new ATOM 0 HG2 GLU A 97 -6.808 13.615 8.175 1.00 3.33 H new ATOM 0 HG3 GLU A 97 -6.175 12.130 7.493 1.00 3.33 H new ATOM 1315 N GLY A 98 -4.899 11.850 4.859 1.00 41.23 N ATOM 1316 CA GLY A 98 -4.972 10.480 4.489 1.00 73.40 C ATOM 1317 C GLY A 98 -4.396 9.631 5.592 1.00 12.50 C ATOM 1318 O GLY A 98 -3.383 9.999 6.197 1.00 73.14 O ATOM 0 H GLY A 98 -3.949 12.200 4.980 1.00 41.23 H new ATOM 0 HA2 GLY A 98 -6.008 10.198 4.301 1.00 73.40 H new ATOM 0 HA3 GLY A 98 -4.423 10.313 3.562 1.00 73.40 H new ATOM 1322 N TYR A 99 -5.015 8.522 5.872 1.00 33.24 N ATOM 1323 CA TYR A 99 -4.553 7.653 6.915 1.00 51.10 C ATOM 1324 C TYR A 99 -3.932 6.474 6.232 1.00 63.12 C ATOM 1325 O TYR A 99 -4.354 6.109 5.120 1.00 13.15 O ATOM 1326 CB TYR A 99 -5.717 7.155 7.789 1.00 73.22 C ATOM 1327 CG TYR A 99 -6.819 8.167 8.013 1.00 14.41 C ATOM 1328 CD1 TYR A 99 -6.607 9.349 8.702 1.00 72.32 C ATOM 1329 CD2 TYR A 99 -8.075 7.926 7.512 1.00 40.24 C ATOM 1330 CE1 TYR A 99 -7.639 10.263 8.873 1.00 35.33 C ATOM 1331 CE2 TYR A 99 -9.096 8.810 7.670 1.00 13.31 C ATOM 1332 CZ TYR A 99 -8.882 9.986 8.350 1.00 11.54 C ATOM 1333 OH TYR A 99 -9.919 10.885 8.508 1.00 41.03 O ATOM 0 H TYR A 99 -5.850 8.195 5.387 1.00 33.24 H new ATOM 0 HA TYR A 99 -3.855 8.184 7.562 1.00 51.10 H new ATOM 0 HB2 TYR A 99 -6.147 6.267 7.326 1.00 73.22 H new ATOM 0 HB3 TYR A 99 -5.321 6.849 8.757 1.00 73.22 H new ATOM 0 HD1 TYR A 99 -5.630 9.562 9.110 1.00 72.32 H new ATOM 0 HD2 TYR A 99 -8.257 7.006 6.976 1.00 40.24 H new ATOM 0 HE1 TYR A 99 -7.468 11.183 9.412 1.00 35.33 H new ATOM 0 HE2 TYR A 99 -10.072 8.589 7.263 1.00 13.31 H new ATOM 0 HH TYR A 99 -10.645 10.659 7.890 1.00 41.03 H new ATOM 1343 N LYS A 100 -2.973 5.879 6.857 1.00 74.11 N ATOM 1344 CA LYS A 100 -2.283 4.769 6.276 1.00 43.42 C ATOM 1345 C LYS A 100 -2.099 3.704 7.305 1.00 42.34 C ATOM 1346 O LYS A 100 -1.630 3.974 8.421 1.00 2.15 O ATOM 1347 CB LYS A 100 -0.898 5.136 5.710 1.00 20.23 C ATOM 1348 CG LYS A 100 -0.231 3.924 5.056 1.00 64.51 C ATOM 1349 CD LYS A 100 1.246 4.104 4.743 1.00 15.22 C ATOM 1350 CE LYS A 100 1.509 5.198 3.740 1.00 51.22 C ATOM 1351 NZ LYS A 100 2.869 5.081 3.191 1.00 52.33 N ATOM 0 H LYS A 100 -2.643 6.145 7.785 1.00 74.11 H new ATOM 0 HA LYS A 100 -2.899 4.426 5.445 1.00 43.42 H new ATOM 0 HB2 LYS A 100 -1.002 5.937 4.978 1.00 20.23 H new ATOM 0 HB3 LYS A 100 -0.264 5.516 6.511 1.00 20.23 H new ATOM 0 HG2 LYS A 100 -0.347 3.063 5.715 1.00 64.51 H new ATOM 0 HG3 LYS A 100 -0.759 3.691 4.131 1.00 64.51 H new ATOM 0 HD2 LYS A 100 1.782 4.328 5.665 1.00 15.22 H new ATOM 0 HD3 LYS A 100 1.647 3.165 4.361 1.00 15.22 H new ATOM 0 HE2 LYS A 100 0.779 5.142 2.933 1.00 51.22 H new ATOM 0 HE3 LYS A 100 1.385 6.171 4.215 1.00 51.22 H new ATOM 0 HZ1 LYS A 100 3.068 5.899 2.580 1.00 52.33 H new ATOM 0 HZ2 LYS A 100 3.557 5.055 3.970 1.00 52.33 H new ATOM 0 HZ3 LYS A 100 2.944 4.206 2.634 1.00 52.33 H new ATOM 1365 N LEU A 101 -2.466 2.525 6.943 1.00 3.25 N ATOM 1366 CA LEU A 101 -2.288 1.366 7.771 1.00 41.15 C ATOM 1367 C LEU A 101 -1.556 0.334 6.946 1.00 32.22 C ATOM 1368 O LEU A 101 -1.962 0.050 5.819 1.00 41.52 O ATOM 1369 CB LEU A 101 -3.654 0.864 8.245 1.00 0.44 C ATOM 1370 CG LEU A 101 -4.435 1.867 9.112 1.00 14.44 C ATOM 1371 CD1 LEU A 101 -5.859 1.418 9.315 1.00 61.04 C ATOM 1372 CD2 LEU A 101 -3.749 2.066 10.461 1.00 35.02 C ATOM 0 H LEU A 101 -2.908 2.327 6.046 1.00 3.25 H new ATOM 0 HA LEU A 101 -1.704 1.590 8.664 1.00 41.15 H new ATOM 0 HB2 LEU A 101 -4.257 0.610 7.373 1.00 0.44 H new ATOM 0 HB3 LEU A 101 -3.512 -0.055 8.813 1.00 0.44 H new ATOM 0 HG LEU A 101 -4.449 2.820 8.583 1.00 14.44 H new ATOM 0 HD11 LEU A 101 -6.386 2.146 9.931 1.00 61.04 H new ATOM 0 HD12 LEU A 101 -6.355 1.334 8.348 1.00 61.04 H new ATOM 0 HD13 LEU A 101 -5.867 0.448 9.813 1.00 61.04 H new ATOM 0 HD21 LEU A 101 -4.319 2.779 11.057 1.00 35.02 H new ATOM 0 HD22 LEU A 101 -3.697 1.113 10.987 1.00 35.02 H new ATOM 0 HD23 LEU A 101 -2.741 2.449 10.303 1.00 35.02 H new ATOM 1384 N VAL A 102 -0.462 -0.187 7.460 1.00 45.21 N ATOM 1385 CA VAL A 102 0.358 -1.086 6.676 1.00 62.51 C ATOM 1386 C VAL A 102 0.613 -2.427 7.364 1.00 32.14 C ATOM 1387 O VAL A 102 1.043 -2.494 8.517 1.00 55.43 O ATOM 1388 CB VAL A 102 1.689 -0.406 6.192 1.00 14.44 C ATOM 1389 CG1 VAL A 102 2.504 0.143 7.352 1.00 25.23 C ATOM 1390 CG2 VAL A 102 2.534 -1.356 5.341 1.00 3.11 C ATOM 0 H VAL A 102 -0.123 -0.007 8.405 1.00 45.21 H new ATOM 0 HA VAL A 102 -0.226 -1.316 5.785 1.00 62.51 H new ATOM 0 HB VAL A 102 1.396 0.437 5.566 1.00 14.44 H new ATOM 0 HG11 VAL A 102 3.415 0.604 6.971 1.00 25.23 H new ATOM 0 HG12 VAL A 102 1.917 0.889 7.888 1.00 25.23 H new ATOM 0 HG13 VAL A 102 2.765 -0.670 8.030 1.00 25.23 H new ATOM 0 HG21 VAL A 102 3.446 -0.849 5.026 1.00 3.11 H new ATOM 0 HG22 VAL A 102 2.793 -2.237 5.928 1.00 3.11 H new ATOM 0 HG23 VAL A 102 1.966 -1.660 4.462 1.00 3.11 H new ATOM 1400 N TRP A 103 0.316 -3.470 6.646 1.00 72.11 N ATOM 1401 CA TRP A 103 0.505 -4.829 7.071 1.00 13.43 C ATOM 1402 C TRP A 103 1.710 -5.384 6.371 1.00 42.43 C ATOM 1403 O TRP A 103 2.055 -4.945 5.276 1.00 41.42 O ATOM 1404 CB TRP A 103 -0.707 -5.701 6.707 1.00 14.11 C ATOM 1405 CG TRP A 103 -1.989 -5.281 7.335 1.00 42.02 C ATOM 1406 CD1 TRP A 103 -2.564 -5.806 8.448 1.00 62.15 C ATOM 1407 CD2 TRP A 103 -2.861 -4.257 6.875 1.00 43.15 C ATOM 1408 NE1 TRP A 103 -3.730 -5.144 8.728 1.00 45.04 N ATOM 1409 CE2 TRP A 103 -3.937 -4.193 7.769 1.00 14.12 C ATOM 1410 CE3 TRP A 103 -2.830 -3.380 5.796 1.00 75.43 C ATOM 1411 CZ2 TRP A 103 -4.967 -3.286 7.613 1.00 71.51 C ATOM 1412 CZ3 TRP A 103 -3.845 -2.490 5.643 1.00 72.13 C ATOM 1413 CH2 TRP A 103 -4.898 -2.443 6.541 1.00 23.13 C ATOM 0 H TRP A 103 -0.081 -3.396 5.709 1.00 72.11 H new ATOM 0 HA TRP A 103 0.632 -4.838 8.154 1.00 13.43 H new ATOM 0 HB2 TRP A 103 -0.830 -5.694 5.624 1.00 14.11 H new ATOM 0 HB3 TRP A 103 -0.497 -6.730 6.997 1.00 14.11 H new ATOM 0 HD1 TRP A 103 -2.161 -6.624 9.027 1.00 62.15 H new ATOM 0 HE1 TRP A 103 -4.343 -5.330 9.522 1.00 45.04 H new ATOM 0 HE3 TRP A 103 -2.012 -3.406 5.091 1.00 75.43 H new ATOM 0 HZ2 TRP A 103 -5.792 -3.245 8.309 1.00 71.51 H new ATOM 0 HZ3 TRP A 103 -3.830 -1.807 4.806 1.00 72.13 H new ATOM 0 HH2 TRP A 103 -5.686 -1.720 6.389 1.00 23.13 H new ATOM 1424 N LYS A 104 2.360 -6.304 7.004 1.00 72.34 N ATOM 1425 CA LYS A 104 3.485 -6.986 6.429 1.00 34.33 C ATOM 1426 C LYS A 104 3.270 -8.429 6.759 1.00 31.31 C ATOM 1427 O LYS A 104 2.902 -8.732 7.913 1.00 75.43 O ATOM 1428 CB LYS A 104 4.842 -6.559 7.055 1.00 33.24 C ATOM 1429 CG LYS A 104 5.103 -5.055 7.239 1.00 52.01 C ATOM 1430 CD LYS A 104 4.345 -4.433 8.439 1.00 55.10 C ATOM 1431 CE LYS A 104 4.889 -4.858 9.824 1.00 4.02 C ATOM 1432 NZ LYS A 104 4.758 -6.314 10.133 1.00 33.41 N ATOM 0 H LYS A 104 2.126 -6.611 7.948 1.00 72.34 H new ATOM 0 HA LYS A 104 3.541 -6.762 5.364 1.00 34.33 H new ATOM 0 HB2 LYS A 104 4.925 -7.036 8.032 1.00 33.24 H new ATOM 0 HB3 LYS A 104 5.640 -6.964 6.433 1.00 33.24 H new ATOM 0 HG2 LYS A 104 6.173 -4.895 7.374 1.00 52.01 H new ATOM 0 HG3 LYS A 104 4.815 -4.531 6.328 1.00 52.01 H new ATOM 0 HD2 LYS A 104 4.393 -3.347 8.360 1.00 55.10 H new ATOM 0 HD3 LYS A 104 3.293 -4.712 8.373 1.00 55.10 H new ATOM 0 HE2 LYS A 104 5.942 -4.582 9.885 1.00 4.02 H new ATOM 0 HE3 LYS A 104 4.366 -4.290 10.593 1.00 4.02 H new ATOM 0 HZ1 LYS A 104 4.736 -6.449 11.164 1.00 33.41 H new ATOM 0 HZ2 LYS A 104 3.878 -6.679 9.717 1.00 33.41 H new ATOM 0 HZ3 LYS A 104 5.569 -6.828 9.734 1.00 33.41 H new ATOM 1446 N SER A 105 3.431 -9.308 5.807 1.00 31.34 N ATOM 1447 CA SER A 105 3.260 -10.718 6.062 1.00 73.31 C ATOM 1448 C SER A 105 4.381 -11.235 6.969 1.00 71.13 C ATOM 1449 O SER A 105 5.330 -10.485 7.290 1.00 24.21 O ATOM 1450 CB SER A 105 3.157 -11.512 4.745 1.00 20.11 C ATOM 1451 OG SER A 105 4.263 -11.268 3.905 1.00 0.45 O ATOM 0 H SER A 105 3.681 -9.075 4.846 1.00 31.34 H new ATOM 0 HA SER A 105 2.318 -10.868 6.590 1.00 73.31 H new ATOM 0 HB2 SER A 105 3.095 -12.578 4.966 1.00 20.11 H new ATOM 0 HB3 SER A 105 2.238 -11.240 4.226 1.00 20.11 H new ATOM 0 HG SER A 105 4.101 -11.670 3.026 1.00 0.45 H new ATOM 1457 N ALA A 106 4.254 -12.473 7.419 1.00 33.23 N ATOM 1458 CA ALA A 106 5.244 -13.074 8.279 1.00 61.45 C ATOM 1459 C ALA A 106 6.588 -13.081 7.587 1.00 30.41 C ATOM 1460 O ALA A 106 6.735 -13.659 6.506 1.00 42.14 O ATOM 1461 CB ALA A 106 4.837 -14.474 8.668 1.00 60.51 C ATOM 0 H ALA A 106 3.465 -13.081 7.197 1.00 33.23 H new ATOM 0 HA ALA A 106 5.321 -12.483 9.192 1.00 61.45 H new ATOM 0 HB1 ALA A 106 5.598 -14.907 9.316 1.00 60.51 H new ATOM 0 HB2 ALA A 106 3.885 -14.442 9.197 1.00 60.51 H new ATOM 0 HB3 ALA A 106 4.733 -15.085 7.771 1.00 60.51 H new ATOM 1467 N ALA A 107 7.543 -12.444 8.212 1.00 12.03 N ATOM 1468 CA ALA A 107 8.859 -12.249 7.644 1.00 12.24 C ATOM 1469 C ALA A 107 9.595 -13.561 7.517 1.00 42.13 C ATOM 1470 O ALA A 107 9.589 -14.380 8.439 1.00 41.44 O ATOM 1471 CB ALA A 107 9.645 -11.259 8.477 1.00 24.31 C ATOM 0 H ALA A 107 7.431 -12.039 9.142 1.00 12.03 H new ATOM 0 HA ALA A 107 8.746 -11.840 6.640 1.00 12.24 H new ATOM 0 HB1 ALA A 107 10.634 -11.120 8.040 1.00 24.31 H new ATOM 0 HB2 ALA A 107 9.120 -10.304 8.498 1.00 24.31 H new ATOM 0 HB3 ALA A 107 9.748 -11.639 9.493 1.00 24.31 H new ATOM 1477 N GLN A 108 10.218 -13.763 6.382 1.00 51.25 N ATOM 1478 CA GLN A 108 10.895 -15.015 6.085 1.00 63.24 C ATOM 1479 C GLN A 108 12.277 -14.686 5.578 1.00 34.11 C ATOM 1480 O GLN A 108 12.420 -13.779 4.760 1.00 20.42 O ATOM 1481 CB GLN A 108 10.140 -15.767 4.974 1.00 3.13 C ATOM 1482 CG GLN A 108 8.651 -15.966 5.218 1.00 41.30 C ATOM 1483 CD GLN A 108 8.347 -16.795 6.442 1.00 71.14 C ATOM 1484 OE1 GLN A 108 9.090 -17.688 6.809 1.00 14.04 O ATOM 1485 NE2 GLN A 108 7.263 -16.485 7.091 1.00 42.32 N ATOM 0 H GLN A 108 10.274 -13.070 5.636 1.00 51.25 H new ATOM 0 HA GLN A 108 10.937 -15.635 6.981 1.00 63.24 H new ATOM 0 HB2 GLN A 108 10.268 -15.223 4.038 1.00 3.13 H new ATOM 0 HB3 GLN A 108 10.603 -16.745 4.841 1.00 3.13 H new ATOM 0 HG2 GLN A 108 8.174 -14.991 5.322 1.00 41.30 H new ATOM 0 HG3 GLN A 108 8.209 -16.446 4.345 1.00 41.30 H new ATOM 0 HE21 GLN A 108 6.665 -15.731 6.754 1.00 42.32 H new ATOM 0 HE22 GLN A 108 7.011 -16.996 7.937 1.00 42.32 H new ATOM 1494 N ARG A 109 13.288 -15.384 6.029 1.00 14.14 N ATOM 1495 CA ARG A 109 14.630 -15.084 5.564 1.00 52.22 C ATOM 1496 C ARG A 109 14.916 -15.796 4.253 1.00 34.33 C ATOM 1497 O ARG A 109 14.679 -16.993 4.113 1.00 35.30 O ATOM 1498 CB ARG A 109 15.701 -15.355 6.621 1.00 32.03 C ATOM 1499 CG ARG A 109 15.497 -14.554 7.902 1.00 54.53 C ATOM 1500 CD ARG A 109 16.728 -14.566 8.802 1.00 2.33 C ATOM 1501 NE ARG A 109 17.883 -13.908 8.159 1.00 53.03 N ATOM 1502 CZ ARG A 109 18.713 -13.032 8.753 1.00 73.11 C ATOM 1503 NH1 ARG A 109 18.539 -12.702 10.026 1.00 2.43 N ATOM 1504 NH2 ARG A 109 19.706 -12.475 8.061 1.00 43.15 N ATOM 0 H ARG A 109 13.219 -16.148 6.702 1.00 14.14 H new ATOM 0 HA ARG A 109 14.675 -14.011 5.377 1.00 52.22 H new ATOM 0 HB2 ARG A 109 15.704 -16.418 6.862 1.00 32.03 H new ATOM 0 HB3 ARG A 109 16.681 -15.120 6.205 1.00 32.03 H new ATOM 0 HG2 ARG A 109 15.248 -13.524 7.647 1.00 54.53 H new ATOM 0 HG3 ARG A 109 14.647 -14.961 8.449 1.00 54.53 H new ATOM 0 HD2 ARG A 109 16.498 -14.061 9.740 1.00 2.33 H new ATOM 0 HD3 ARG A 109 16.987 -15.595 9.050 1.00 2.33 H new ATOM 0 HE ARG A 109 18.067 -14.137 7.182 1.00 53.03 H new ATOM 0 HH11 ARG A 109 17.773 -13.113 10.559 1.00 2.43 H new ATOM 0 HH12 ARG A 109 19.171 -12.037 10.472 1.00 2.43 H new ATOM 0 HH21 ARG A 109 19.838 -12.713 7.078 1.00 43.15 H new ATOM 0 HH22 ARG A 109 20.334 -11.811 8.514 1.00 43.15 H new ATOM 1518 N SER A 110 15.398 -15.051 3.311 1.00 11.31 N ATOM 1519 CA SER A 110 15.617 -15.509 1.976 1.00 32.12 C ATOM 1520 C SER A 110 17.025 -16.131 1.825 1.00 52.30 C ATOM 1521 O SER A 110 17.840 -16.115 2.763 1.00 62.34 O ATOM 1522 CB SER A 110 15.382 -14.318 1.022 1.00 72.14 C ATOM 1523 OG SER A 110 15.530 -14.659 -0.351 1.00 63.23 O ATOM 0 H SER A 110 15.659 -14.075 3.454 1.00 11.31 H new ATOM 0 HA SER A 110 14.918 -16.306 1.723 1.00 32.12 H new ATOM 0 HB2 SER A 110 14.379 -13.923 1.185 1.00 72.14 H new ATOM 0 HB3 SER A 110 16.083 -13.520 1.269 1.00 72.14 H new ATOM 0 HG SER A 110 16.014 -13.944 -0.815 1.00 63.23 H new ATOM 1529 N HIS A 111 17.308 -16.637 0.630 1.00 43.53 N ATOM 1530 CA HIS A 111 18.563 -17.358 0.327 1.00 14.13 C ATOM 1531 C HIS A 111 19.717 -16.378 0.152 1.00 71.04 C ATOM 1532 O HIS A 111 20.892 -16.736 0.200 1.00 23.01 O ATOM 1533 CB HIS A 111 18.394 -18.201 -0.949 1.00 3.00 C ATOM 1534 CG HIS A 111 17.263 -19.185 -0.880 1.00 0.41 C ATOM 1535 ND1 HIS A 111 16.345 -19.376 -1.889 1.00 23.42 N ATOM 1536 CD2 HIS A 111 16.916 -20.049 0.107 1.00 60.41 C ATOM 1537 CE1 HIS A 111 15.488 -20.319 -1.496 1.00 0.40 C ATOM 1538 NE2 HIS A 111 15.791 -20.762 -0.289 1.00 32.33 N ATOM 0 H HIS A 111 16.677 -16.564 -0.168 1.00 43.53 H new ATOM 0 HA HIS A 111 18.791 -18.018 1.164 1.00 14.13 H new ATOM 0 HB2 HIS A 111 18.231 -17.534 -1.795 1.00 3.00 H new ATOM 0 HB3 HIS A 111 19.321 -18.740 -1.142 1.00 3.00 H new ATOM 0 HD2 HIS A 111 17.431 -20.164 1.049 1.00 60.41 H new ATOM 0 HE1 HIS A 111 14.656 -20.674 -2.086 1.00 0.40 H new ATOM 0 HE2 HIS A 111 15.300 -21.480 0.243 1.00 32.33 H new ATOM 1546 N ASP A 112 19.350 -15.146 -0.014 1.00 62.02 N ATOM 1547 CA ASP A 112 20.264 -14.018 -0.180 1.00 40.24 C ATOM 1548 C ASP A 112 20.657 -13.441 1.181 1.00 73.34 C ATOM 1549 O ASP A 112 21.397 -12.458 1.260 1.00 3.12 O ATOM 1550 CB ASP A 112 19.596 -12.939 -1.049 1.00 42.43 C ATOM 1551 CG ASP A 112 18.148 -12.757 -0.691 1.00 75.43 C ATOM 1552 OD1 ASP A 112 17.275 -12.821 -1.607 1.00 54.04 O ATOM 1553 OD2 ASP A 112 17.838 -12.676 0.489 1.00 60.41 O ATOM 0 H ASP A 112 18.369 -14.869 -0.041 1.00 62.02 H new ATOM 0 HA ASP A 112 21.171 -14.365 -0.675 1.00 40.24 H new ATOM 0 HB2 ASP A 112 20.124 -11.993 -0.925 1.00 42.43 H new ATOM 0 HB3 ASP A 112 19.679 -13.215 -2.100 1.00 42.43 H new ATOM 1558 N GLN A 113 20.131 -14.068 2.233 1.00 4.41 N ATOM 1559 CA GLN A 113 20.407 -13.776 3.648 1.00 22.32 C ATOM 1560 C GLN A 113 19.637 -12.529 4.158 1.00 30.33 C ATOM 1561 O GLN A 113 19.839 -12.079 5.293 1.00 3.34 O ATOM 1562 CB GLN A 113 21.945 -13.681 3.918 1.00 13.42 C ATOM 1563 CG GLN A 113 22.357 -13.610 5.388 1.00 11.01 C ATOM 1564 CD GLN A 113 23.854 -13.457 5.568 1.00 73.33 C ATOM 1565 OE1 GLN A 113 24.379 -12.341 5.615 1.00 45.24 O ATOM 1566 NE2 GLN A 113 24.552 -14.545 5.659 1.00 35.24 N ATOM 0 H GLN A 113 19.466 -14.833 2.120 1.00 4.41 H new ATOM 0 HA GLN A 113 20.029 -14.617 4.230 1.00 22.32 H new ATOM 0 HB2 GLN A 113 22.429 -14.547 3.466 1.00 13.42 H new ATOM 0 HB3 GLN A 113 22.331 -12.798 3.409 1.00 13.42 H new ATOM 0 HG2 GLN A 113 21.850 -12.770 5.863 1.00 11.01 H new ATOM 0 HG3 GLN A 113 22.024 -14.514 5.899 1.00 11.01 H new ATOM 0 HE21 GLN A 113 24.089 -15.453 5.617 1.00 35.24 H new ATOM 0 HE22 GLN A 113 25.564 -14.493 5.773 1.00 35.24 H new ATOM 1575 N LYS A 114 18.708 -12.017 3.371 1.00 72.44 N ATOM 1576 CA LYS A 114 17.897 -10.904 3.839 1.00 21.02 C ATOM 1577 C LYS A 114 16.494 -11.390 4.111 1.00 34.03 C ATOM 1578 O LYS A 114 16.174 -12.541 3.835 1.00 4.35 O ATOM 1579 CB LYS A 114 17.935 -9.701 2.881 1.00 30.31 C ATOM 1580 CG LYS A 114 17.392 -9.956 1.500 1.00 62.33 C ATOM 1581 CD LYS A 114 17.689 -8.805 0.566 1.00 13.20 C ATOM 1582 CE LYS A 114 17.216 -9.109 -0.842 1.00 62.43 C ATOM 1583 NZ LYS A 114 17.558 -8.032 -1.781 1.00 13.34 N ATOM 0 H LYS A 114 18.498 -12.343 2.427 1.00 72.44 H new ATOM 0 HA LYS A 114 18.321 -10.532 4.772 1.00 21.02 H new ATOM 0 HB2 LYS A 114 17.370 -8.883 3.329 1.00 30.31 H new ATOM 0 HB3 LYS A 114 18.967 -9.363 2.790 1.00 30.31 H new ATOM 0 HG2 LYS A 114 17.827 -10.872 1.100 1.00 62.33 H new ATOM 0 HG3 LYS A 114 16.315 -10.113 1.555 1.00 62.33 H new ATOM 0 HD2 LYS A 114 17.200 -7.902 0.930 1.00 13.20 H new ATOM 0 HD3 LYS A 114 18.761 -8.606 0.558 1.00 13.20 H new ATOM 0 HE2 LYS A 114 17.665 -10.042 -1.182 1.00 62.43 H new ATOM 0 HE3 LYS A 114 16.136 -9.257 -0.838 1.00 62.43 H new ATOM 0 HZ1 LYS A 114 17.217 -8.279 -2.732 1.00 13.34 H new ATOM 0 HZ2 LYS A 114 17.109 -7.146 -1.472 1.00 13.34 H new ATOM 0 HZ3 LYS A 114 18.590 -7.907 -1.805 1.00 13.34 H new ATOM 1597 N ILE A 115 15.664 -10.557 4.651 1.00 13.04 N ATOM 1598 CA ILE A 115 14.358 -11.000 5.049 1.00 13.32 C ATOM 1599 C ILE A 115 13.336 -10.446 4.081 1.00 52.12 C ATOM 1600 O ILE A 115 13.378 -9.252 3.763 1.00 51.01 O ATOM 1601 CB ILE A 115 13.970 -10.560 6.512 1.00 41.24 C ATOM 1602 CG1 ILE A 115 15.141 -10.657 7.527 1.00 63.03 C ATOM 1603 CG2 ILE A 115 12.830 -11.411 7.010 1.00 53.01 C ATOM 1604 CD1 ILE A 115 16.154 -9.521 7.470 1.00 22.53 C ATOM 0 H ILE A 115 15.861 -9.572 4.828 1.00 13.04 H new ATOM 0 HA ILE A 115 14.372 -12.090 5.036 1.00 13.32 H new ATOM 0 HB ILE A 115 13.687 -9.509 6.447 1.00 41.24 H new ATOM 0 HG12 ILE A 115 14.724 -10.699 8.533 1.00 63.03 H new ATOM 0 HG13 ILE A 115 15.666 -11.598 7.360 1.00 63.03 H new ATOM 0 HG21 ILE A 115 12.563 -11.106 8.022 1.00 53.01 H new ATOM 0 HG22 ILE A 115 11.969 -11.286 6.354 1.00 53.01 H new ATOM 0 HG23 ILE A 115 13.133 -12.458 7.015 1.00 53.01 H new ATOM 0 HD11 ILE A 115 16.929 -9.686 8.219 1.00 22.53 H new ATOM 0 HD12 ILE A 115 16.608 -9.488 6.480 1.00 22.53 H new ATOM 0 HD13 ILE A 115 15.651 -8.575 7.671 1.00 22.53 H new ATOM 1616 N ARG A 116 12.434 -11.293 3.609 1.00 31.13 N ATOM 1617 CA ARG A 116 11.420 -10.853 2.677 1.00 45.35 C ATOM 1618 C ARG A 116 10.052 -11.002 3.321 1.00 41.23 C ATOM 1619 O ARG A 116 9.874 -11.832 4.235 1.00 44.03 O ATOM 1620 CB ARG A 116 11.453 -11.605 1.294 1.00 13.53 C ATOM 1621 CG ARG A 116 10.498 -12.814 1.163 1.00 62.21 C ATOM 1622 CD ARG A 116 11.006 -14.084 1.818 1.00 73.21 C ATOM 1623 NE ARG A 116 11.867 -14.862 0.916 1.00 51.14 N ATOM 1624 CZ ARG A 116 12.242 -16.135 1.126 1.00 50.25 C ATOM 1625 NH1 ARG A 116 12.072 -16.696 2.321 1.00 64.11 N ATOM 1626 NH2 ARG A 116 12.823 -16.830 0.153 1.00 25.51 N ATOM 0 H ARG A 116 12.387 -12.281 3.857 1.00 31.13 H new ATOM 0 HA ARG A 116 11.632 -9.808 2.451 1.00 45.35 H new ATOM 0 HB2 ARG A 116 11.214 -10.890 0.507 1.00 13.53 H new ATOM 0 HB3 ARG A 116 12.471 -11.949 1.113 1.00 13.53 H new ATOM 0 HG2 ARG A 116 9.536 -12.552 1.603 1.00 62.21 H new ATOM 0 HG3 ARG A 116 10.322 -13.010 0.105 1.00 62.21 H new ATOM 0 HD2 ARG A 116 11.562 -13.829 2.720 1.00 73.21 H new ATOM 0 HD3 ARG A 116 10.159 -14.696 2.128 1.00 73.21 H new ATOM 0 HE ARG A 116 12.204 -14.403 0.070 1.00 51.14 H new ATOM 0 HH11 ARG A 116 11.656 -16.159 3.082 1.00 64.11 H new ATOM 0 HH12 ARG A 116 12.358 -17.663 2.476 1.00 64.11 H new ATOM 0 HH21 ARG A 116 12.985 -16.397 -0.756 1.00 25.51 H new ATOM 0 HH22 ARG A 116 13.107 -17.796 0.316 1.00 25.51 H new ATOM 1640 N TRP A 117 9.127 -10.212 2.857 1.00 73.31 N ATOM 1641 CA TRP A 117 7.755 -10.210 3.300 1.00 25.20 C ATOM 1642 C TRP A 117 6.910 -9.516 2.234 1.00 32.51 C ATOM 1643 O TRP A 117 7.447 -9.005 1.248 1.00 11.11 O ATOM 1644 CB TRP A 117 7.623 -9.492 4.665 1.00 61.14 C ATOM 1645 CG TRP A 117 8.270 -8.134 4.694 1.00 12.22 C ATOM 1646 CD1 TRP A 117 7.831 -7.015 4.077 1.00 5.15 C ATOM 1647 CD2 TRP A 117 9.468 -7.765 5.382 1.00 34.24 C ATOM 1648 NE1 TRP A 117 8.681 -5.971 4.311 1.00 34.05 N ATOM 1649 CE2 TRP A 117 9.695 -6.402 5.120 1.00 50.03 C ATOM 1650 CE3 TRP A 117 10.370 -8.454 6.192 1.00 43.22 C ATOM 1651 CZ2 TRP A 117 10.788 -5.720 5.636 1.00 22.03 C ATOM 1652 CZ3 TRP A 117 11.451 -7.773 6.707 1.00 33.55 C ATOM 1653 CH2 TRP A 117 11.652 -6.423 6.428 1.00 53.14 C ATOM 0 H TRP A 117 9.312 -9.522 2.129 1.00 73.31 H new ATOM 0 HA TRP A 117 7.406 -11.233 3.438 1.00 25.20 H new ATOM 0 HB2 TRP A 117 6.566 -9.388 4.911 1.00 61.14 H new ATOM 0 HB3 TRP A 117 8.070 -10.115 5.439 1.00 61.14 H new ATOM 0 HD1 TRP A 117 6.932 -6.954 3.481 1.00 5.15 H new ATOM 0 HE1 TRP A 117 8.576 -5.026 3.943 1.00 34.05 H new ATOM 0 HE3 TRP A 117 10.224 -9.501 6.411 1.00 43.22 H new ATOM 0 HZ2 TRP A 117 10.950 -4.674 5.420 1.00 22.03 H new ATOM 0 HZ3 TRP A 117 12.155 -8.295 7.338 1.00 33.55 H new ATOM 0 HH2 TRP A 117 12.511 -5.920 6.847 1.00 53.14 H new ATOM 1664 N ASP A 118 5.636 -9.524 2.397 1.00 4.21 N ATOM 1665 CA ASP A 118 4.740 -8.835 1.491 1.00 40.41 C ATOM 1666 C ASP A 118 4.132 -7.726 2.274 1.00 64.43 C ATOM 1667 O ASP A 118 3.769 -7.926 3.433 1.00 14.45 O ATOM 1668 CB ASP A 118 3.606 -9.749 0.999 1.00 4.21 C ATOM 1669 CG ASP A 118 4.091 -11.104 0.546 1.00 71.55 C ATOM 1670 OD1 ASP A 118 4.558 -11.230 -0.597 1.00 0.43 O ATOM 1671 OD2 ASP A 118 4.040 -12.066 1.342 1.00 75.52 O ATOM 0 H ASP A 118 5.166 -10.007 3.163 1.00 4.21 H new ATOM 0 HA ASP A 118 5.295 -8.494 0.617 1.00 40.41 H new ATOM 0 HB2 ASP A 118 2.879 -9.879 1.801 1.00 4.21 H new ATOM 0 HB3 ASP A 118 3.087 -9.261 0.174 1.00 4.21 H new ATOM 1676 N GLU A 119 4.019 -6.581 1.698 1.00 62.45 N ATOM 1677 CA GLU A 119 3.446 -5.459 2.421 1.00 42.12 C ATOM 1678 C GLU A 119 2.156 -5.010 1.813 1.00 4.24 C ATOM 1679 O GLU A 119 1.920 -5.180 0.616 1.00 24.40 O ATOM 1680 CB GLU A 119 4.411 -4.284 2.564 1.00 54.22 C ATOM 1681 CG GLU A 119 5.616 -4.592 3.406 1.00 74.23 C ATOM 1682 CD GLU A 119 6.511 -3.407 3.610 1.00 52.40 C ATOM 1683 OE1 GLU A 119 7.656 -3.413 3.106 1.00 12.15 O ATOM 1684 OE2 GLU A 119 6.084 -2.431 4.249 1.00 33.33 O ATOM 0 H GLU A 119 4.307 -6.380 0.740 1.00 62.45 H new ATOM 0 HA GLU A 119 3.243 -5.828 3.427 1.00 42.12 H new ATOM 0 HB2 GLU A 119 4.741 -3.974 1.573 1.00 54.22 H new ATOM 0 HB3 GLU A 119 3.879 -3.439 3.002 1.00 54.22 H new ATOM 0 HG2 GLU A 119 5.288 -4.963 4.377 1.00 74.23 H new ATOM 0 HG3 GLU A 119 6.186 -5.393 2.935 1.00 74.23 H new ATOM 1691 N ALA A 120 1.328 -4.462 2.634 1.00 75.44 N ATOM 1692 CA ALA A 120 0.051 -3.970 2.243 1.00 3.03 C ATOM 1693 C ALA A 120 -0.200 -2.673 2.958 1.00 25.10 C ATOM 1694 O ALA A 120 -0.262 -2.654 4.158 1.00 24.44 O ATOM 1695 CB ALA A 120 -1.008 -4.974 2.630 1.00 51.33 C ATOM 0 H ALA A 120 1.527 -4.340 3.627 1.00 75.44 H new ATOM 0 HA ALA A 120 0.020 -3.812 1.165 1.00 3.03 H new ATOM 0 HB1 ALA A 120 -1.988 -4.602 2.333 1.00 51.33 H new ATOM 0 HB2 ALA A 120 -0.812 -5.921 2.128 1.00 51.33 H new ATOM 0 HB3 ALA A 120 -0.989 -5.125 3.709 1.00 51.33 H new ATOM 1701 N GLU A 121 -0.340 -1.612 2.242 1.00 43.12 N ATOM 1702 CA GLU A 121 -0.562 -0.330 2.856 1.00 31.42 C ATOM 1703 C GLU A 121 -1.837 0.298 2.320 1.00 63.15 C ATOM 1704 O GLU A 121 -1.947 0.622 1.144 1.00 23.02 O ATOM 1705 CB GLU A 121 0.684 0.599 2.739 1.00 24.35 C ATOM 1706 CG GLU A 121 1.177 0.850 1.327 1.00 14.41 C ATOM 1707 CD GLU A 121 2.436 1.697 1.258 1.00 75.42 C ATOM 1708 OE1 GLU A 121 2.421 2.871 1.705 1.00 22.22 O ATOM 1709 OE2 GLU A 121 3.434 1.256 0.666 1.00 11.01 O ATOM 0 H GLU A 121 -0.306 -1.597 1.223 1.00 43.12 H new ATOM 0 HA GLU A 121 -0.705 -0.478 3.926 1.00 31.42 H new ATOM 0 HB2 GLU A 121 0.445 1.558 3.198 1.00 24.35 H new ATOM 0 HB3 GLU A 121 1.498 0.162 3.318 1.00 24.35 H new ATOM 0 HG2 GLU A 121 1.368 -0.108 0.843 1.00 14.41 H new ATOM 0 HG3 GLU A 121 0.388 1.342 0.759 1.00 14.41 H new ATOM 1716 N ALA A 122 -2.806 0.406 3.176 1.00 75.44 N ATOM 1717 CA ALA A 122 -4.088 0.951 2.836 1.00 20.31 C ATOM 1718 C ALA A 122 -4.121 2.431 3.156 1.00 13.51 C ATOM 1719 O ALA A 122 -3.679 2.852 4.236 1.00 62.12 O ATOM 1720 CB ALA A 122 -5.175 0.231 3.617 1.00 63.40 C ATOM 0 H ALA A 122 -2.728 0.113 4.150 1.00 75.44 H new ATOM 0 HA ALA A 122 -4.262 0.814 1.769 1.00 20.31 H new ATOM 0 HB1 ALA A 122 -6.148 0.648 3.356 1.00 63.40 H new ATOM 0 HB2 ALA A 122 -5.157 -0.831 3.371 1.00 63.40 H new ATOM 0 HB3 ALA A 122 -5.001 0.359 4.685 1.00 63.40 H new ATOM 1726 N TYR A 123 -4.616 3.199 2.212 1.00 23.33 N ATOM 1727 CA TYR A 123 -4.730 4.639 2.320 1.00 12.04 C ATOM 1728 C TYR A 123 -6.205 5.013 2.293 1.00 43.20 C ATOM 1729 O TYR A 123 -6.915 4.694 1.321 1.00 33.35 O ATOM 1730 CB TYR A 123 -4.100 5.337 1.104 1.00 64.32 C ATOM 1731 CG TYR A 123 -2.697 4.934 0.743 1.00 14.20 C ATOM 1732 CD1 TYR A 123 -2.460 3.804 -0.035 1.00 35.12 C ATOM 1733 CD2 TYR A 123 -1.617 5.695 1.136 1.00 63.20 C ATOM 1734 CE1 TYR A 123 -1.190 3.452 -0.401 1.00 24.01 C ATOM 1735 CE2 TYR A 123 -0.343 5.344 0.776 1.00 62.11 C ATOM 1736 CZ TYR A 123 -0.137 4.224 0.004 1.00 53.23 C ATOM 1737 OH TYR A 123 1.134 3.875 -0.356 1.00 54.43 O ATOM 0 H TYR A 123 -4.960 2.832 1.325 1.00 23.33 H new ATOM 0 HA TYR A 123 -4.230 4.945 3.239 1.00 12.04 H new ATOM 0 HB2 TYR A 123 -4.739 5.156 0.240 1.00 64.32 H new ATOM 0 HB3 TYR A 123 -4.108 6.412 1.287 1.00 64.32 H new ATOM 0 HD1 TYR A 123 -3.293 3.195 -0.355 1.00 35.12 H new ATOM 0 HD2 TYR A 123 -1.777 6.579 1.735 1.00 63.20 H new ATOM 0 HE1 TYR A 123 -1.021 2.572 -1.004 1.00 24.01 H new ATOM 0 HE2 TYR A 123 0.496 5.944 1.097 1.00 62.11 H new ATOM 0 HH TYR A 123 1.709 3.872 0.437 1.00 54.43 H new ATOM 1747 N ILE A 124 -6.654 5.684 3.300 1.00 41.01 N ATOM 1748 CA ILE A 124 -8.034 6.170 3.371 1.00 52.22 C ATOM 1749 C ILE A 124 -7.948 7.666 3.503 1.00 71.24 C ATOM 1750 O ILE A 124 -7.070 8.141 4.195 1.00 23.44 O ATOM 1751 CB ILE A 124 -8.747 5.628 4.630 1.00 1.04 C ATOM 1752 CG1 ILE A 124 -8.735 4.111 4.676 1.00 73.55 C ATOM 1753 CG2 ILE A 124 -10.180 6.164 4.765 1.00 33.24 C ATOM 1754 CD1 ILE A 124 -9.391 3.564 5.918 1.00 2.21 C ATOM 0 H ILE A 124 -6.088 5.924 4.114 1.00 41.01 H new ATOM 0 HA ILE A 124 -8.589 5.848 2.490 1.00 52.22 H new ATOM 0 HB ILE A 124 -8.178 5.996 5.484 1.00 1.04 H new ATOM 0 HG12 ILE A 124 -9.247 3.720 3.797 1.00 73.55 H new ATOM 0 HG13 ILE A 124 -7.705 3.758 4.628 1.00 73.55 H new ATOM 0 HG21 ILE A 124 -10.638 5.754 5.665 1.00 33.24 H new ATOM 0 HG22 ILE A 124 -10.157 7.252 4.833 1.00 33.24 H new ATOM 0 HG23 ILE A 124 -10.763 5.867 3.893 1.00 33.24 H new ATOM 0 HD11 ILE A 124 -9.354 2.475 5.899 1.00 2.21 H new ATOM 0 HD12 ILE A 124 -8.864 3.930 6.799 1.00 2.21 H new ATOM 0 HD13 ILE A 124 -10.430 3.892 5.955 1.00 2.21 H new ATOM 1766 N TRP A 125 -8.812 8.417 2.880 1.00 4.11 N ATOM 1767 CA TRP A 125 -8.682 9.827 3.028 1.00 35.24 C ATOM 1768 C TRP A 125 -9.978 10.498 3.406 1.00 61.32 C ATOM 1769 O TRP A 125 -11.102 9.987 3.118 1.00 54.32 O ATOM 1770 CB TRP A 125 -7.963 10.506 1.822 1.00 62.23 C ATOM 1771 CG TRP A 125 -8.806 11.012 0.667 1.00 34.24 C ATOM 1772 CD1 TRP A 125 -8.839 12.297 0.219 1.00 31.15 C ATOM 1773 CD2 TRP A 125 -9.713 10.283 -0.179 1.00 71.41 C ATOM 1774 NE1 TRP A 125 -9.676 12.406 -0.853 1.00 11.22 N ATOM 1775 CE2 TRP A 125 -10.229 11.195 -1.116 1.00 20.45 C ATOM 1776 CE3 TRP A 125 -10.127 8.971 -0.242 1.00 3.41 C ATOM 1777 CZ2 TRP A 125 -11.135 10.822 -2.098 1.00 5.33 C ATOM 1778 CZ3 TRP A 125 -11.027 8.596 -1.210 1.00 45.14 C ATOM 1779 CH2 TRP A 125 -11.524 9.518 -2.132 1.00 14.21 C ATOM 0 H TRP A 125 -9.579 8.091 2.292 1.00 4.11 H new ATOM 0 HA TRP A 125 -8.017 9.976 3.879 1.00 35.24 H new ATOM 0 HB2 TRP A 125 -7.391 11.349 2.209 1.00 62.23 H new ATOM 0 HB3 TRP A 125 -7.245 9.792 1.420 1.00 62.23 H new ATOM 0 HD1 TRP A 125 -8.281 13.115 0.651 1.00 31.15 H new ATOM 0 HE1 TRP A 125 -9.858 13.263 -1.375 1.00 11.22 H new ATOM 0 HE3 TRP A 125 -9.748 8.245 0.462 1.00 3.41 H new ATOM 0 HZ2 TRP A 125 -11.517 11.539 -2.809 1.00 5.33 H new ATOM 0 HZ3 TRP A 125 -11.356 7.568 -1.258 1.00 45.14 H new ATOM 0 HH2 TRP A 125 -12.228 9.192 -2.884 1.00 14.21 H new ATOM 1790 N ARG A 126 -9.811 11.591 4.113 1.00 4.30 N ATOM 1791 CA ARG A 126 -10.869 12.471 4.499 1.00 54.25 C ATOM 1792 C ARG A 126 -11.215 13.232 3.234 1.00 10.52 C ATOM 1793 O ARG A 126 -10.454 14.095 2.784 1.00 73.21 O ATOM 1794 CB ARG A 126 -10.339 13.432 5.570 1.00 30.54 C ATOM 1795 CG ARG A 126 -11.353 14.399 6.159 1.00 74.33 C ATOM 1796 CD ARG A 126 -12.305 13.739 7.138 1.00 74.05 C ATOM 1797 NE ARG A 126 -11.588 13.191 8.295 1.00 51.35 N ATOM 1798 CZ ARG A 126 -11.973 13.288 9.575 1.00 52.31 C ATOM 1799 NH1 ARG A 126 -13.028 14.028 9.925 1.00 53.22 N ATOM 1800 NH2 ARG A 126 -11.255 12.688 10.506 1.00 12.44 N ATOM 0 H ARG A 126 -8.896 11.896 4.444 1.00 4.30 H new ATOM 0 HA ARG A 126 -11.736 11.953 4.909 1.00 54.25 H new ATOM 0 HB2 ARG A 126 -9.916 12.841 6.382 1.00 30.54 H new ATOM 0 HB3 ARG A 126 -9.523 14.011 5.138 1.00 30.54 H new ATOM 0 HG2 ARG A 126 -10.824 15.207 6.664 1.00 74.33 H new ATOM 0 HG3 ARG A 126 -11.928 14.850 5.350 1.00 74.33 H new ATOM 0 HD2 ARG A 126 -13.043 14.466 7.476 1.00 74.05 H new ATOM 0 HD3 ARG A 126 -12.851 12.941 6.635 1.00 74.05 H new ATOM 0 HE ARG A 126 -10.719 12.691 8.108 1.00 51.35 H new ATOM 0 HH11 ARG A 126 -13.556 14.532 9.213 1.00 53.22 H new ATOM 0 HH12 ARG A 126 -13.306 14.089 10.905 1.00 53.22 H new ATOM 0 HH21 ARG A 126 -10.421 12.161 10.246 1.00 12.44 H new ATOM 0 HH22 ARG A 126 -11.534 12.752 11.485 1.00 12.44 H new ATOM 1814 N ARG A 127 -12.305 12.868 2.650 1.00 21.14 N ATOM 1815 CA ARG A 127 -12.669 13.306 1.342 1.00 52.45 C ATOM 1816 C ARG A 127 -13.385 14.649 1.404 1.00 32.30 C ATOM 1817 O ARG A 127 -14.218 14.883 2.285 1.00 20.24 O ATOM 1818 CB ARG A 127 -13.550 12.208 0.737 1.00 2.11 C ATOM 1819 CG ARG A 127 -14.029 12.392 -0.679 1.00 63.45 C ATOM 1820 CD ARG A 127 -14.914 11.213 -1.045 1.00 61.12 C ATOM 1821 NE ARG A 127 -15.481 11.311 -2.383 1.00 32.14 N ATOM 1822 CZ ARG A 127 -16.666 10.799 -2.743 1.00 62.21 C ATOM 1823 NH1 ARG A 127 -17.479 10.274 -1.818 1.00 40.22 N ATOM 1824 NH2 ARG A 127 -17.061 10.859 -4.012 1.00 53.15 N ATOM 0 H ARG A 127 -12.987 12.242 3.078 1.00 21.14 H new ATOM 0 HA ARG A 127 -11.791 13.464 0.716 1.00 52.45 H new ATOM 0 HB2 ARG A 127 -12.996 11.270 0.784 1.00 2.11 H new ATOM 0 HB3 ARG A 127 -14.426 12.093 1.375 1.00 2.11 H new ATOM 0 HG2 ARG A 127 -14.584 13.326 -0.773 1.00 63.45 H new ATOM 0 HG3 ARG A 127 -13.181 12.455 -1.361 1.00 63.45 H new ATOM 0 HD2 ARG A 127 -14.332 10.294 -0.971 1.00 61.12 H new ATOM 0 HD3 ARG A 127 -15.724 11.137 -0.320 1.00 61.12 H new ATOM 0 HE ARG A 127 -14.940 11.803 -3.094 1.00 32.14 H new ATOM 0 HH11 ARG A 127 -17.197 10.263 -0.838 1.00 40.22 H new ATOM 0 HH12 ARG A 127 -18.381 9.885 -2.093 1.00 40.22 H new ATOM 0 HH21 ARG A 127 -16.462 11.295 -4.713 1.00 53.15 H new ATOM 0 HH22 ARG A 127 -17.963 10.469 -4.284 1.00 53.15 H new ATOM 1838 N LYS A 128 -13.061 15.516 0.449 1.00 65.43 N ATOM 1839 CA LYS A 128 -13.639 16.878 0.303 1.00 43.53 C ATOM 1840 C LYS A 128 -15.170 16.856 0.108 1.00 63.52 C ATOM 1841 O LYS A 128 -15.830 17.886 0.134 1.00 32.35 O ATOM 1842 CB LYS A 128 -12.976 17.577 -0.892 1.00 35.10 C ATOM 1843 CG LYS A 128 -13.110 16.801 -2.202 1.00 1.13 C ATOM 1844 CD LYS A 128 -12.408 17.497 -3.347 1.00 70.31 C ATOM 1845 CE LYS A 128 -12.489 16.670 -4.620 1.00 45.00 C ATOM 1846 NZ LYS A 128 -11.882 17.365 -5.772 1.00 63.44 N ATOM 0 H LYS A 128 -12.372 15.299 -0.271 1.00 65.43 H new ATOM 0 HA LYS A 128 -13.443 17.422 1.227 1.00 43.53 H new ATOM 0 HB2 LYS A 128 -13.419 18.565 -1.017 1.00 35.10 H new ATOM 0 HB3 LYS A 128 -11.919 17.727 -0.674 1.00 35.10 H new ATOM 0 HG2 LYS A 128 -12.694 15.801 -2.076 1.00 1.13 H new ATOM 0 HG3 LYS A 128 -14.166 16.679 -2.445 1.00 1.13 H new ATOM 0 HD2 LYS A 128 -12.860 18.475 -3.515 1.00 70.31 H new ATOM 0 HD3 LYS A 128 -11.364 17.669 -3.087 1.00 70.31 H new ATOM 0 HE2 LYS A 128 -11.984 15.716 -4.465 1.00 45.00 H new ATOM 0 HE3 LYS A 128 -13.533 16.446 -4.841 1.00 45.00 H new ATOM 0 HZ1 LYS A 128 -11.959 16.766 -6.619 1.00 63.44 H new ATOM 0 HZ2 LYS A 128 -12.379 18.263 -5.937 1.00 63.44 H new ATOM 0 HZ3 LYS A 128 -10.879 17.556 -5.573 1.00 63.44 H new ATOM 1860 N ASP A 129 -15.694 15.679 -0.112 1.00 65.34 N ATOM 1861 CA ASP A 129 -17.115 15.449 -0.309 1.00 44.32 C ATOM 1862 C ASP A 129 -17.855 15.459 1.035 1.00 74.13 C ATOM 1863 O ASP A 129 -19.074 15.647 1.090 1.00 5.43 O ATOM 1864 CB ASP A 129 -17.277 14.093 -1.011 1.00 13.10 C ATOM 1865 CG ASP A 129 -18.698 13.595 -1.128 1.00 22.32 C ATOM 1866 OD1 ASP A 129 -19.391 13.939 -2.113 1.00 23.45 O ATOM 1867 OD2 ASP A 129 -19.116 12.794 -0.267 1.00 10.13 O ATOM 0 H ASP A 129 -15.136 14.827 -0.162 1.00 65.34 H new ATOM 0 HA ASP A 129 -17.546 16.242 -0.921 1.00 44.32 H new ATOM 0 HB2 ASP A 129 -16.851 14.167 -2.012 1.00 13.10 H new ATOM 0 HB3 ASP A 129 -16.692 13.350 -0.470 1.00 13.10 H new ATOM 1872 N GLY A 130 -17.101 15.328 2.116 1.00 41.05 N ATOM 1873 CA GLY A 130 -17.691 15.276 3.442 1.00 11.21 C ATOM 1874 C GLY A 130 -17.719 13.863 3.967 1.00 11.31 C ATOM 1875 O GLY A 130 -18.108 13.604 5.116 1.00 63.22 O ATOM 0 H GLY A 130 -16.084 15.256 2.100 1.00 41.05 H new ATOM 0 HA2 GLY A 130 -17.121 15.909 4.122 1.00 11.21 H new ATOM 0 HA3 GLY A 130 -18.705 15.675 3.409 1.00 11.21 H new ATOM 1879 N SER A 131 -17.337 12.952 3.124 1.00 35.13 N ATOM 1880 CA SER A 131 -17.274 11.586 3.456 1.00 74.43 C ATOM 1881 C SER A 131 -15.825 11.180 3.680 1.00 32.11 C ATOM 1882 O SER A 131 -14.902 11.950 3.421 1.00 15.31 O ATOM 1883 CB SER A 131 -17.926 10.775 2.333 1.00 31.41 C ATOM 1884 OG SER A 131 -17.448 11.200 1.047 1.00 41.21 O ATOM 0 H SER A 131 -17.056 13.157 2.165 1.00 35.13 H new ATOM 0 HA SER A 131 -17.816 11.390 4.381 1.00 74.43 H new ATOM 0 HB2 SER A 131 -17.711 9.716 2.473 1.00 31.41 H new ATOM 0 HB3 SER A 131 -19.009 10.889 2.378 1.00 31.41 H new ATOM 0 HG SER A 131 -18.188 11.588 0.535 1.00 41.21 H new ATOM 1890 N CYS A 132 -15.633 10.026 4.180 1.00 63.02 N ATOM 1891 CA CYS A 132 -14.326 9.465 4.347 1.00 61.33 C ATOM 1892 C CYS A 132 -14.303 8.173 3.576 1.00 53.01 C ATOM 1893 O CYS A 132 -15.167 7.312 3.775 1.00 64.32 O ATOM 1894 CB CYS A 132 -14.043 9.251 5.818 1.00 21.34 C ATOM 1895 SG CYS A 132 -14.155 10.777 6.785 1.00 10.35 S ATOM 0 H CYS A 132 -16.388 9.418 4.497 1.00 63.02 H new ATOM 0 HA CYS A 132 -13.549 10.131 3.972 1.00 61.33 H new ATOM 0 HB2 CYS A 132 -14.748 8.522 6.216 1.00 21.34 H new ATOM 0 HB3 CYS A 132 -13.046 8.826 5.933 1.00 21.34 H new ATOM 0 HG CYS A 132 -15.047 10.634 7.720 1.00 10.35 H new ATOM 1901 N TRP A 133 -13.367 8.027 2.693 1.00 32.23 N ATOM 1902 CA TRP A 133 -13.422 6.921 1.781 1.00 13.33 C ATOM 1903 C TRP A 133 -12.033 6.369 1.573 1.00 70.10 C ATOM 1904 O TRP A 133 -11.053 7.066 1.830 1.00 54.23 O ATOM 1905 CB TRP A 133 -14.028 7.429 0.461 1.00 35.44 C ATOM 1906 CG TRP A 133 -14.718 6.386 -0.351 1.00 61.35 C ATOM 1907 CD1 TRP A 133 -15.748 5.611 0.062 1.00 23.54 C ATOM 1908 CD2 TRP A 133 -14.480 6.043 -1.721 1.00 5.11 C ATOM 1909 NE1 TRP A 133 -16.157 4.788 -0.945 1.00 3.13 N ATOM 1910 CE2 TRP A 133 -15.397 5.034 -2.056 1.00 52.41 C ATOM 1911 CE3 TRP A 133 -13.582 6.483 -2.694 1.00 62.13 C ATOM 1912 CZ2 TRP A 133 -15.442 4.461 -3.316 1.00 42.43 C ATOM 1913 CZ3 TRP A 133 -13.630 5.914 -3.947 1.00 33.04 C ATOM 1914 CH2 TRP A 133 -14.556 4.912 -4.246 1.00 71.10 C ATOM 0 H TRP A 133 -12.565 8.647 2.581 1.00 32.23 H new ATOM 0 HA TRP A 133 -14.041 6.115 2.175 1.00 13.33 H new ATOM 0 HB2 TRP A 133 -14.739 8.224 0.686 1.00 35.44 H new ATOM 0 HB3 TRP A 133 -13.234 7.872 -0.140 1.00 35.44 H new ATOM 0 HD1 TRP A 133 -16.184 5.640 1.050 1.00 23.54 H new ATOM 0 HE1 TRP A 133 -16.908 4.100 -0.881 1.00 3.13 H new ATOM 0 HE3 TRP A 133 -12.862 7.256 -2.468 1.00 62.13 H new ATOM 0 HZ2 TRP A 133 -16.154 3.684 -3.552 1.00 42.43 H new ATOM 0 HZ3 TRP A 133 -12.942 6.247 -4.710 1.00 33.04 H new ATOM 0 HH2 TRP A 133 -14.569 4.485 -5.238 1.00 71.10 H new ATOM 1925 N LEU A 134 -11.940 5.112 1.199 1.00 21.53 N ATOM 1926 CA LEU A 134 -10.662 4.511 0.898 1.00 43.24 C ATOM 1927 C LEU A 134 -10.106 5.138 -0.343 1.00 12.42 C ATOM 1928 O LEU A 134 -10.763 5.175 -1.376 1.00 73.11 O ATOM 1929 CB LEU A 134 -10.740 2.987 0.714 1.00 70.23 C ATOM 1930 CG LEU A 134 -10.884 2.124 1.972 1.00 72.31 C ATOM 1931 CD1 LEU A 134 -12.221 2.325 2.666 1.00 62.22 C ATOM 1932 CD2 LEU A 134 -10.655 0.667 1.620 1.00 12.42 C ATOM 0 H LEU A 134 -12.738 4.485 1.096 1.00 21.53 H new ATOM 0 HA LEU A 134 -10.010 4.692 1.753 1.00 43.24 H new ATOM 0 HB2 LEU A 134 -11.585 2.771 0.061 1.00 70.23 H new ATOM 0 HB3 LEU A 134 -9.841 2.666 0.188 1.00 70.23 H new ATOM 0 HG LEU A 134 -10.124 2.442 2.686 1.00 72.31 H new ATOM 0 HD11 LEU A 134 -12.271 1.690 3.551 1.00 62.22 H new ATOM 0 HD12 LEU A 134 -12.324 3.369 2.962 1.00 62.22 H new ATOM 0 HD13 LEU A 134 -13.029 2.060 1.984 1.00 62.22 H new ATOM 0 HD21 LEU A 134 -10.758 0.056 2.516 1.00 12.42 H new ATOM 0 HD22 LEU A 134 -11.390 0.352 0.879 1.00 12.42 H new ATOM 0 HD23 LEU A 134 -9.652 0.545 1.211 1.00 12.42 H new ATOM 1944 N HIS A 135 -8.912 5.630 -0.245 1.00 52.35 N ATOM 1945 CA HIS A 135 -8.311 6.302 -1.342 1.00 10.25 C ATOM 1946 C HIS A 135 -7.700 5.284 -2.260 1.00 72.32 C ATOM 1947 O HIS A 135 -7.998 5.229 -3.465 1.00 74.40 O ATOM 1948 CB HIS A 135 -7.235 7.301 -0.865 1.00 21.25 C ATOM 1949 CG HIS A 135 -6.665 8.143 -1.973 1.00 61.22 C ATOM 1950 ND1 HIS A 135 -5.372 8.042 -2.441 1.00 22.24 N ATOM 1951 CD2 HIS A 135 -7.254 9.111 -2.713 1.00 72.45 C ATOM 1952 CE1 HIS A 135 -5.222 8.926 -3.428 1.00 20.14 C ATOM 1953 NE2 HIS A 135 -6.342 9.605 -3.635 1.00 52.24 N ATOM 0 H HIS A 135 -8.333 5.576 0.593 1.00 52.35 H new ATOM 0 HA HIS A 135 -9.077 6.870 -1.871 1.00 10.25 H new ATOM 0 HB2 HIS A 135 -7.668 7.955 -0.108 1.00 21.25 H new ATOM 0 HB3 HIS A 135 -6.426 6.750 -0.385 1.00 21.25 H new ATOM 0 HD2 HIS A 135 -8.275 9.447 -2.603 1.00 72.45 H new ATOM 0 HE1 HIS A 135 -4.308 9.070 -3.986 1.00 20.14 H new ATOM 0 HE2 HIS A 135 -6.500 10.337 -4.327 1.00 52.24 H new ATOM 1961 N SER A 136 -6.877 4.455 -1.699 1.00 44.00 N ATOM 1962 CA SER A 136 -6.130 3.478 -2.444 1.00 73.23 C ATOM 1963 C SER A 136 -5.564 2.518 -1.453 1.00 72.42 C ATOM 1964 O SER A 136 -5.524 2.828 -0.292 1.00 54.42 O ATOM 1965 CB SER A 136 -4.946 4.137 -3.195 1.00 43.12 C ATOM 1966 OG SER A 136 -5.349 5.233 -4.011 1.00 51.23 O ATOM 0 H SER A 136 -6.699 4.434 -0.695 1.00 44.00 H new ATOM 0 HA SER A 136 -6.782 2.996 -3.173 1.00 73.23 H new ATOM 0 HB2 SER A 136 -4.209 4.482 -2.470 1.00 43.12 H new ATOM 0 HB3 SER A 136 -4.455 3.389 -3.817 1.00 43.12 H new ATOM 0 HG SER A 136 -5.338 6.057 -3.481 1.00 51.23 H new ATOM 1972 N VAL A 137 -5.171 1.373 -1.877 1.00 52.50 N ATOM 1973 CA VAL A 137 -4.476 0.462 -1.012 1.00 51.13 C ATOM 1974 C VAL A 137 -3.409 -0.181 -1.866 1.00 54.22 C ATOM 1975 O VAL A 137 -3.637 -0.430 -3.036 1.00 5.11 O ATOM 1976 CB VAL A 137 -5.393 -0.626 -0.314 1.00 23.31 C ATOM 1977 CG1 VAL A 137 -6.622 -0.034 0.370 1.00 10.54 C ATOM 1978 CG2 VAL A 137 -5.796 -1.727 -1.237 1.00 45.23 C ATOM 0 H VAL A 137 -5.316 1.032 -2.827 1.00 52.50 H new ATOM 0 HA VAL A 137 -4.063 1.016 -0.169 1.00 51.13 H new ATOM 0 HB VAL A 137 -4.761 -1.054 0.463 1.00 23.31 H new ATOM 0 HG11 VAL A 137 -7.205 -0.834 0.827 1.00 10.54 H new ATOM 0 HG12 VAL A 137 -6.306 0.670 1.140 1.00 10.54 H new ATOM 0 HG13 VAL A 137 -7.234 0.485 -0.367 1.00 10.54 H new ATOM 0 HG21 VAL A 137 -6.422 -2.440 -0.701 1.00 45.23 H new ATOM 0 HG22 VAL A 137 -6.355 -1.312 -2.076 1.00 45.23 H new ATOM 0 HG23 VAL A 137 -4.906 -2.234 -1.609 1.00 45.23 H new ATOM 1988 N LYS A 138 -2.262 -0.365 -1.342 1.00 1.52 N ATOM 1989 CA LYS A 138 -1.175 -0.909 -2.112 1.00 21.33 C ATOM 1990 C LYS A 138 -0.768 -2.263 -1.560 1.00 33.41 C ATOM 1991 O LYS A 138 -0.594 -2.409 -0.361 1.00 10.15 O ATOM 1992 CB LYS A 138 0.018 0.039 -2.045 1.00 5.43 C ATOM 1993 CG LYS A 138 1.185 -0.348 -2.941 1.00 23.55 C ATOM 1994 CD LYS A 138 2.477 0.348 -2.510 1.00 32.13 C ATOM 1995 CE LYS A 138 2.369 1.864 -2.524 1.00 22.51 C ATOM 1996 NZ LYS A 138 3.556 2.489 -1.910 1.00 74.04 N ATOM 0 H LYS A 138 -2.032 -0.149 -0.372 1.00 1.52 H new ATOM 0 HA LYS A 138 -1.498 -1.027 -3.146 1.00 21.33 H new ATOM 0 HB2 LYS A 138 -0.315 1.041 -2.316 1.00 5.43 H new ATOM 0 HB3 LYS A 138 0.369 0.088 -1.014 1.00 5.43 H new ATOM 0 HG2 LYS A 138 1.325 -1.429 -2.911 1.00 23.55 H new ATOM 0 HG3 LYS A 138 0.955 -0.085 -3.973 1.00 23.55 H new ATOM 0 HD2 LYS A 138 2.743 0.018 -1.506 1.00 32.13 H new ATOM 0 HD3 LYS A 138 3.287 0.041 -3.172 1.00 32.13 H new ATOM 0 HE2 LYS A 138 2.260 2.214 -3.551 1.00 22.51 H new ATOM 0 HE3 LYS A 138 1.473 2.172 -1.986 1.00 22.51 H new ATOM 0 HZ1 LYS A 138 3.411 3.516 -1.841 1.00 74.04 H new ATOM 0 HZ2 LYS A 138 3.703 2.095 -0.959 1.00 74.04 H new ATOM 0 HZ3 LYS A 138 4.393 2.296 -2.497 1.00 74.04 H new ATOM 2010 N PHE A 139 -0.624 -3.234 -2.425 1.00 32.11 N ATOM 2011 CA PHE A 139 -0.147 -4.531 -2.047 1.00 62.50 C ATOM 2012 C PHE A 139 1.117 -4.776 -2.788 1.00 14.11 C ATOM 2013 O PHE A 139 1.147 -4.710 -4.013 1.00 33.41 O ATOM 2014 CB PHE A 139 -1.152 -5.626 -2.375 1.00 73.23 C ATOM 2015 CG PHE A 139 -2.449 -5.453 -1.680 1.00 40.45 C ATOM 2016 CD1 PHE A 139 -2.512 -5.552 -0.316 1.00 61.11 C ATOM 2017 CD2 PHE A 139 -3.598 -5.181 -2.381 1.00 72.25 C ATOM 2018 CE1 PHE A 139 -3.694 -5.384 0.355 1.00 42.04 C ATOM 2019 CE2 PHE A 139 -4.793 -5.014 -1.718 1.00 31.12 C ATOM 2020 CZ PHE A 139 -4.841 -5.115 -0.344 1.00 50.45 C ATOM 0 H PHE A 139 -0.837 -3.142 -3.418 1.00 32.11 H new ATOM 0 HA PHE A 139 0.010 -4.554 -0.969 1.00 62.50 H new ATOM 0 HB2 PHE A 139 -1.323 -5.643 -3.451 1.00 73.23 H new ATOM 0 HB3 PHE A 139 -0.728 -6.593 -2.104 1.00 73.23 H new ATOM 0 HD1 PHE A 139 -1.612 -5.767 0.242 1.00 61.11 H new ATOM 0 HD2 PHE A 139 -3.564 -5.098 -3.457 1.00 72.25 H new ATOM 0 HE1 PHE A 139 -3.722 -5.463 1.432 1.00 42.04 H new ATOM 0 HE2 PHE A 139 -5.694 -4.804 -2.275 1.00 31.12 H new ATOM 0 HZ PHE A 139 -5.777 -4.983 0.178 1.00 50.45 H new ATOM 2030 N ILE A 140 2.154 -5.025 -2.085 1.00 35.13 N ATOM 2031 CA ILE A 140 3.423 -5.240 -2.693 1.00 43.02 C ATOM 2032 C ILE A 140 3.978 -6.540 -2.218 1.00 64.43 C ATOM 2033 O ILE A 140 4.510 -6.660 -1.112 1.00 75.15 O ATOM 2034 CB ILE A 140 4.400 -4.048 -2.476 1.00 5.23 C ATOM 2035 CG1 ILE A 140 4.400 -3.587 -1.003 1.00 74.03 C ATOM 2036 CG2 ILE A 140 4.057 -2.906 -3.419 1.00 12.40 C ATOM 2037 CD1 ILE A 140 5.329 -2.433 -0.691 1.00 1.30 C ATOM 0 H ILE A 140 2.155 -5.087 -1.067 1.00 35.13 H new ATOM 0 HA ILE A 140 3.291 -5.295 -3.774 1.00 43.02 H new ATOM 0 HB ILE A 140 5.411 -4.384 -2.707 1.00 5.23 H new ATOM 0 HG12 ILE A 140 3.385 -3.300 -0.728 1.00 74.03 H new ATOM 0 HG13 ILE A 140 4.674 -4.434 -0.374 1.00 74.03 H new ATOM 0 HG21 ILE A 140 4.748 -2.079 -3.256 1.00 12.40 H new ATOM 0 HG22 ILE A 140 4.138 -3.249 -4.450 1.00 12.40 H new ATOM 0 HG23 ILE A 140 3.038 -2.570 -3.228 1.00 12.40 H new ATOM 0 HD11 ILE A 140 5.257 -2.184 0.368 1.00 1.30 H new ATOM 0 HD12 ILE A 140 6.354 -2.717 -0.928 1.00 1.30 H new ATOM 0 HD13 ILE A 140 5.046 -1.566 -1.288 1.00 1.30 H new ATOM 2049 N MET A 141 3.801 -7.522 -3.034 1.00 21.12 N ATOM 2050 CA MET A 141 4.169 -8.856 -2.693 1.00 70.13 C ATOM 2051 C MET A 141 5.612 -9.118 -3.007 1.00 41.15 C ATOM 2052 O MET A 141 6.080 -8.859 -4.124 1.00 71.42 O ATOM 2053 CB MET A 141 3.235 -9.863 -3.366 1.00 10.03 C ATOM 2054 CG MET A 141 1.792 -9.768 -2.876 1.00 2.02 C ATOM 2055 SD MET A 141 0.662 -10.904 -3.719 1.00 23.11 S ATOM 2056 CE MET A 141 0.754 -10.306 -5.408 1.00 4.20 C ATOM 0 H MET A 141 3.394 -7.423 -3.964 1.00 21.12 H new ATOM 0 HA MET A 141 4.056 -8.981 -1.616 1.00 70.13 H new ATOM 0 HB2 MET A 141 3.257 -9.704 -4.444 1.00 10.03 H new ATOM 0 HB3 MET A 141 3.607 -10.871 -3.185 1.00 10.03 H new ATOM 0 HG2 MET A 141 1.767 -9.972 -1.806 1.00 2.02 H new ATOM 0 HG3 MET A 141 1.437 -8.747 -3.014 1.00 2.02 H new ATOM 0 HE1 MET A 141 -0.119 -10.648 -5.963 1.00 4.20 H new ATOM 0 HE2 MET A 141 0.780 -9.216 -5.407 1.00 4.20 H new ATOM 0 HE3 MET A 141 1.658 -10.690 -5.881 1.00 4.20 H new ATOM 2066 N SER A 142 6.293 -9.603 -1.998 1.00 2.24 N ATOM 2067 CA SER A 142 7.684 -9.941 -2.022 1.00 45.23 C ATOM 2068 C SER A 142 8.619 -8.735 -2.068 1.00 61.42 C ATOM 2069 O SER A 142 9.169 -8.363 -3.119 1.00 52.21 O ATOM 2070 CB SER A 142 7.998 -10.986 -3.076 1.00 74.20 C ATOM 2071 OG SER A 142 7.304 -12.195 -2.781 1.00 65.54 O ATOM 0 H SER A 142 5.862 -9.780 -1.091 1.00 2.24 H new ATOM 0 HA SER A 142 7.892 -10.401 -1.056 1.00 45.23 H new ATOM 0 HB2 SER A 142 7.707 -10.621 -4.061 1.00 74.20 H new ATOM 0 HB3 SER A 142 9.072 -11.171 -3.109 1.00 74.20 H new ATOM 0 HG SER A 142 7.509 -12.865 -3.466 1.00 65.54 H new ATOM 2077 N LYS A 143 8.736 -8.106 -0.935 1.00 54.34 N ATOM 2078 CA LYS A 143 9.668 -7.037 -0.701 1.00 61.21 C ATOM 2079 C LYS A 143 10.636 -7.502 0.348 1.00 2.33 C ATOM 2080 O LYS A 143 10.301 -8.362 1.156 1.00 31.31 O ATOM 2081 CB LYS A 143 8.971 -5.759 -0.221 1.00 43.31 C ATOM 2082 CG LYS A 143 8.928 -4.649 -1.256 1.00 72.51 C ATOM 2083 CD LYS A 143 8.073 -5.006 -2.454 1.00 34.33 C ATOM 2084 CE LYS A 143 8.152 -3.930 -3.533 1.00 54.33 C ATOM 2085 NZ LYS A 143 7.829 -2.583 -3.016 1.00 20.15 N ATOM 0 H LYS A 143 8.166 -8.330 -0.119 1.00 54.34 H new ATOM 0 HA LYS A 143 10.173 -6.795 -1.636 1.00 61.21 H new ATOM 0 HB2 LYS A 143 7.951 -6.004 0.076 1.00 43.31 H new ATOM 0 HB3 LYS A 143 9.482 -5.392 0.669 1.00 43.31 H new ATOM 0 HG2 LYS A 143 8.540 -3.741 -0.794 1.00 72.51 H new ATOM 0 HG3 LYS A 143 9.942 -4.429 -1.590 1.00 72.51 H new ATOM 0 HD2 LYS A 143 8.400 -5.961 -2.865 1.00 34.33 H new ATOM 0 HD3 LYS A 143 7.037 -5.133 -2.139 1.00 34.33 H new ATOM 0 HE2 LYS A 143 9.155 -3.921 -3.959 1.00 54.33 H new ATOM 0 HE3 LYS A 143 7.465 -4.180 -4.341 1.00 54.33 H new ATOM 0 HZ1 LYS A 143 8.027 -1.873 -3.749 1.00 20.15 H new ATOM 0 HZ2 LYS A 143 6.822 -2.542 -2.758 1.00 20.15 H new ATOM 0 HZ3 LYS A 143 8.410 -2.385 -2.176 1.00 20.15 H new ATOM 2099 N ALA A 144 11.815 -6.983 0.333 1.00 70.12 N ATOM 2100 CA ALA A 144 12.802 -7.382 1.287 1.00 33.41 C ATOM 2101 C ALA A 144 13.533 -6.180 1.823 1.00 1.44 C ATOM 2102 O ALA A 144 13.502 -5.098 1.216 1.00 3.01 O ATOM 2103 CB ALA A 144 13.775 -8.371 0.655 1.00 73.22 C ATOM 0 H ALA A 144 12.125 -6.276 -0.333 1.00 70.12 H new ATOM 0 HA ALA A 144 12.304 -7.875 2.122 1.00 33.41 H new ATOM 0 HB1 ALA A 144 14.522 -8.668 1.391 1.00 73.22 H new ATOM 0 HB2 ALA A 144 13.230 -9.252 0.316 1.00 73.22 H new ATOM 0 HB3 ALA A 144 14.270 -7.902 -0.195 1.00 73.22 H new ATOM 2109 N ALA A 145 14.129 -6.344 2.975 1.00 73.23 N ATOM 2110 CA ALA A 145 14.955 -5.321 3.571 1.00 52.43 C ATOM 2111 C ALA A 145 16.404 -5.762 3.474 1.00 5.22 C ATOM 2112 O ALA A 145 16.719 -6.907 3.830 1.00 43.11 O ATOM 2113 CB ALA A 145 14.569 -5.089 5.025 1.00 22.32 C ATOM 0 H ALA A 145 14.056 -7.196 3.531 1.00 73.23 H new ATOM 0 HA ALA A 145 14.812 -4.380 3.039 1.00 52.43 H new ATOM 0 HB1 ALA A 145 15.206 -4.314 5.451 1.00 22.32 H new ATOM 0 HB2 ALA A 145 13.527 -4.773 5.079 1.00 22.32 H new ATOM 0 HB3 ALA A 145 14.697 -6.014 5.587 1.00 22.32 H new ATOM 2119 N PRO A 146 17.297 -4.888 2.975 1.00 65.11 N ATOM 2120 CA PRO A 146 18.713 -5.212 2.796 1.00 0.34 C ATOM 2121 C PRO A 146 19.400 -5.578 4.115 1.00 2.20 C ATOM 2122 O PRO A 146 19.236 -4.900 5.140 1.00 71.12 O ATOM 2123 CB PRO A 146 19.319 -3.931 2.202 1.00 3.13 C ATOM 2124 CG PRO A 146 18.348 -2.855 2.531 1.00 54.02 C ATOM 2125 CD PRO A 146 16.998 -3.505 2.557 1.00 55.04 C ATOM 0 HA PRO A 146 18.846 -6.085 2.157 1.00 0.34 H new ATOM 0 HB2 PRO A 146 20.299 -3.723 2.631 1.00 3.13 H new ATOM 0 HB3 PRO A 146 19.456 -4.023 1.125 1.00 3.13 H new ATOM 0 HG2 PRO A 146 18.581 -2.402 3.495 1.00 54.02 H new ATOM 0 HG3 PRO A 146 18.383 -2.059 1.788 1.00 54.02 H new ATOM 0 HD2 PRO A 146 16.326 -3.009 3.257 1.00 55.04 H new ATOM 0 HD3 PRO A 146 16.518 -3.475 1.579 1.00 55.04 H new ATOM 2133 N TYR A 147 20.141 -6.650 4.083 1.00 50.44 N ATOM 2134 CA TYR A 147 20.835 -7.151 5.225 1.00 22.21 C ATOM 2135 C TYR A 147 22.199 -6.477 5.325 1.00 12.31 C ATOM 2136 O TYR A 147 22.624 -5.773 4.394 1.00 35.30 O ATOM 2137 CB TYR A 147 21.011 -8.667 5.082 1.00 61.13 C ATOM 2138 CG TYR A 147 22.021 -9.100 4.025 1.00 45.24 C ATOM 2139 CD1 TYR A 147 23.291 -9.506 4.400 1.00 72.34 C ATOM 2140 CD2 TYR A 147 21.710 -9.098 2.668 1.00 75.00 C ATOM 2141 CE1 TYR A 147 24.216 -9.899 3.467 1.00 23.33 C ATOM 2142 CE2 TYR A 147 22.634 -9.488 1.728 1.00 41.03 C ATOM 2143 CZ TYR A 147 23.885 -9.891 2.134 1.00 33.30 C ATOM 2144 OH TYR A 147 24.808 -10.297 1.202 1.00 75.35 O ATOM 0 H TYR A 147 20.279 -7.209 3.241 1.00 50.44 H new ATOM 0 HA TYR A 147 20.264 -6.937 6.129 1.00 22.21 H new ATOM 0 HB2 TYR A 147 21.318 -9.075 6.045 1.00 61.13 H new ATOM 0 HB3 TYR A 147 20.044 -9.109 4.842 1.00 61.13 H new ATOM 0 HD1 TYR A 147 23.558 -9.513 5.447 1.00 72.34 H new ATOM 0 HD2 TYR A 147 20.727 -8.785 2.349 1.00 75.00 H new ATOM 0 HE1 TYR A 147 25.201 -10.214 3.779 1.00 23.33 H new ATOM 0 HE2 TYR A 147 22.380 -9.478 0.678 1.00 41.03 H new ATOM 0 HH TYR A 147 24.417 -10.233 0.305 1.00 75.35 H new ATOM 2154 N VAL A 148 22.866 -6.675 6.422 1.00 22.11 N ATOM 2155 CA VAL A 148 24.195 -6.162 6.597 1.00 5.21 C ATOM 2156 C VAL A 148 25.129 -7.316 6.971 1.00 41.42 C ATOM 2157 O VAL A 148 24.730 -8.236 7.692 1.00 32.23 O ATOM 2158 CB VAL A 148 24.243 -5.017 7.658 1.00 22.10 C ATOM 2159 CG1 VAL A 148 23.756 -5.486 9.020 1.00 74.43 C ATOM 2160 CG2 VAL A 148 25.635 -4.415 7.759 1.00 11.34 C ATOM 0 H VAL A 148 22.506 -7.196 7.222 1.00 22.11 H new ATOM 0 HA VAL A 148 24.529 -5.719 5.658 1.00 5.21 H new ATOM 0 HB VAL A 148 23.561 -4.238 7.317 1.00 22.10 H new ATOM 0 HG11 VAL A 148 23.806 -4.659 9.729 1.00 74.43 H new ATOM 0 HG12 VAL A 148 22.726 -5.833 8.938 1.00 74.43 H new ATOM 0 HG13 VAL A 148 24.387 -6.303 9.371 1.00 74.43 H new ATOM 0 HG21 VAL A 148 25.635 -3.621 8.506 1.00 11.34 H new ATOM 0 HG22 VAL A 148 26.345 -5.188 8.052 1.00 11.34 H new ATOM 0 HG23 VAL A 148 25.924 -4.003 6.792 1.00 11.34 H new ATOM 2170 N ALA A 149 26.309 -7.315 6.410 1.00 31.43 N ATOM 2171 CA ALA A 149 27.309 -8.305 6.696 1.00 24.32 C ATOM 2172 C ALA A 149 28.669 -7.685 6.470 1.00 20.53 C ATOM 2173 O ALA A 149 29.159 -7.736 5.330 1.00 72.42 O ATOM 2174 CB ALA A 149 27.125 -9.523 5.790 1.00 50.23 C ATOM 0 H ALA A 149 26.606 -6.614 5.731 1.00 31.43 H new ATOM 0 HA ALA A 149 27.218 -8.638 7.730 1.00 24.32 H new ATOM 0 HB1 ALA A 149 27.890 -10.265 6.018 1.00 50.23 H new ATOM 0 HB2 ALA A 149 26.139 -9.955 5.958 1.00 50.23 H new ATOM 0 HB3 ALA A 149 27.215 -9.218 4.747 1.00 50.23 H new TER 2180 ALA A 149