USER MOD reduce.3.24.130724 H: found=0, std=0, add=1142, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1140 hydrogens (55 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 77 SER OG : rot -110:sc= 1.62 USER MOD Set 1.2: A 300 PBU O6 : rot 160:sc= 0.832 USER MOD Set 2.1: A 29 TYR OH : rot 152:sc= 0.674 USER MOD Set 2.2: A 97 THR OG1 : rot 44:sc= 0.767 USER MOD Set 3.1: A 80 ASN : amide:sc= -1.84! C(o=-1.5!,f=-3.5!) USER MOD Set 3.2: A 83 CYS SG : rot -51:sc= 0.328 USER MOD Set 4.1: A 72 SER OG : rot -65:sc= -1.32 USER MOD Set 4.2: A 74 ASN : amide:sc= -2.03 K(o=-3.4,f=-7.1!) USER MOD Single : A 5 ASN : amide:sc= -0.0432 X(o=-0.043,f=-0.52) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 152:sc= -0.248 (180deg=-1.32!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 161:sc= -0.367 (180deg=-0.878) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.189 K(o=-0.19,f=-5!) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0.366 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 46:sc= 0.427 USER MOD Single : A 58 GLN : amide:sc= -1.47! K(o=-1.5!,f=-0.1) USER MOD Single : A 59 LYS NZ :NH3+ 139:sc= -0.0571 (180deg=-1.11) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -130:sc= -0.287 (180deg=-1.39!) USER MOD Single : A 81 THR OG1 : rot 81:sc= 0.386 USER MOD Single : A 87 CYS SG : rot -110:sc= -0.354 USER MOD Single : A 89 HIS : no HD1:sc= -0.0466 K(o=-0.047,f=-1.1) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0489) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 HIS : no HD1:sc= 0.47 K(o=0.47,f=-1.7!) USER MOD Single : A 112 THR OG1 : rot 74:sc= 0.146 USER MOD Single : A 114 THR OG1 : rot -46:sc= 1.1 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0.0306 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0.0867 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot -73:sc= 0.125 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ 163:sc= 0.00176 (180deg=0) USER MOD Single : A 134 ASN : amide:sc= -1.19 K(o=-1.2,f=-3.2!) USER MOD Single : A 135 TYR OH : rot 180:sc= 0 USER MOD Single : A 300 PBU O2 : rot -151:sc= 0.0715 USER MOD Single : A 300 PBU O3 : rot 180:sc= 0.0822 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 10.613 8.275 -0.391 1.00 2.32 N ATOM 2 CA GLY A 2 11.238 9.552 -0.101 1.00 4.32 C ATOM 3 C GLY A 2 10.342 10.467 0.709 1.00 31.41 C ATOM 4 O GLY A 2 9.310 10.038 1.224 1.00 14.24 O ATOM 0 HA2 GLY A 2 12.167 9.383 0.444 1.00 4.32 H new ATOM 0 HA3 GLY A 2 11.503 10.044 -1.037 1.00 4.32 H new ATOM 8 N ALA A 3 10.737 11.731 0.823 1.00 31.22 N ATOM 9 CA ALA A 3 9.961 12.709 1.576 1.00 31.21 C ATOM 10 C ALA A 3 9.008 13.473 0.664 1.00 71.32 C ATOM 11 O ALA A 3 7.892 13.810 1.059 1.00 14.35 O ATOM 12 CB ALA A 3 10.889 13.673 2.301 1.00 14.01 C ATOM 0 H ALA A 3 11.590 12.102 0.404 1.00 31.22 H new ATOM 0 HA ALA A 3 9.364 12.173 2.314 1.00 31.21 H new ATOM 0 HB1 ALA A 3 10.297 14.398 2.859 1.00 14.01 H new ATOM 0 HB2 ALA A 3 11.525 13.117 2.990 1.00 14.01 H new ATOM 0 HB3 ALA A 3 11.511 14.196 1.574 1.00 14.01 H new ATOM 18 N ARG A 4 9.455 13.745 -0.557 1.00 61.12 N ATOM 19 CA ARG A 4 8.642 14.471 -1.525 1.00 11.40 C ATOM 20 C ARG A 4 7.295 13.784 -1.728 1.00 51.21 C ATOM 21 O ARG A 4 6.306 14.427 -2.076 1.00 32.00 O ATOM 22 CB ARG A 4 9.378 14.580 -2.862 1.00 12.13 C ATOM 23 CG ARG A 4 8.916 15.748 -3.718 1.00 44.21 C ATOM 24 CD ARG A 4 8.491 15.289 -5.104 1.00 11.33 C ATOM 25 NE ARG A 4 7.208 14.593 -5.080 1.00 70.25 N ATOM 26 CZ ARG A 4 6.786 13.796 -6.056 1.00 2.15 C ATOM 27 NH1 ARG A 4 7.542 13.595 -7.126 1.00 43.01 N ATOM 28 NH2 ARG A 4 5.606 13.197 -5.960 1.00 72.52 N ATOM 0 H ARG A 4 10.376 13.473 -0.900 1.00 61.12 H new ATOM 0 HA ARG A 4 8.464 15.473 -1.134 1.00 11.40 H new ATOM 0 HB2 ARG A 4 10.447 14.680 -2.672 1.00 12.13 H new ATOM 0 HB3 ARG A 4 9.239 13.654 -3.420 1.00 12.13 H new ATOM 0 HG2 ARG A 4 8.082 16.252 -3.229 1.00 44.21 H new ATOM 0 HG3 ARG A 4 9.722 16.477 -3.806 1.00 44.21 H new ATOM 0 HD2 ARG A 4 8.423 16.152 -5.767 1.00 11.33 H new ATOM 0 HD3 ARG A 4 9.254 14.629 -5.517 1.00 11.33 H new ATOM 0 HE ARG A 4 6.602 14.726 -4.270 1.00 70.25 H new ATOM 0 HH11 ARG A 4 8.450 14.053 -7.202 1.00 43.01 H new ATOM 0 HH12 ARG A 4 7.215 12.983 -7.874 1.00 43.01 H new ATOM 0 HH21 ARG A 4 5.023 13.348 -5.137 1.00 72.52 H new ATOM 0 HH22 ARG A 4 5.282 12.585 -6.709 1.00 72.52 H new ATOM 42 N ASN A 5 7.266 12.474 -1.510 1.00 23.43 N ATOM 43 CA ASN A 5 6.041 11.699 -1.670 1.00 21.53 C ATOM 44 C ASN A 5 5.359 11.474 -0.323 1.00 65.24 C ATOM 45 O ASN A 5 6.021 11.225 0.685 1.00 31.02 O ATOM 46 CB ASN A 5 6.347 10.353 -2.330 1.00 53.23 C ATOM 47 CG ASN A 5 6.991 10.511 -3.694 1.00 11.32 C ATOM 48 OD1 ASN A 5 6.304 10.699 -4.698 1.00 64.43 O ATOM 49 ND2 ASN A 5 8.315 10.436 -3.734 1.00 65.24 N ATOM 0 H ASN A 5 8.077 11.926 -1.222 1.00 23.43 H new ATOM 0 HA ASN A 5 5.364 12.265 -2.310 1.00 21.53 H new ATOM 0 HB2 ASN A 5 7.009 9.776 -1.683 1.00 53.23 H new ATOM 0 HB3 ASN A 5 5.424 9.783 -2.431 1.00 53.23 H new ATOM 0 HD21 ASN A 5 8.805 10.535 -4.623 1.00 65.24 H new ATOM 0 HD22 ASN A 5 8.843 10.279 -2.876 1.00 65.24 H new ATOM 56 N SER A 6 4.033 11.564 -0.315 1.00 24.01 N ATOM 57 CA SER A 6 3.262 11.374 0.907 1.00 22.55 C ATOM 58 C SER A 6 2.667 9.970 0.962 1.00 42.10 C ATOM 59 O SER A 6 1.577 9.724 0.445 1.00 71.03 O ATOM 60 CB SER A 6 2.146 12.416 0.999 1.00 55.21 C ATOM 61 OG SER A 6 1.856 12.737 2.348 1.00 30.32 O ATOM 0 H SER A 6 3.471 11.767 -1.141 1.00 24.01 H new ATOM 0 HA SER A 6 3.936 11.498 1.754 1.00 22.55 H new ATOM 0 HB2 SER A 6 2.442 13.318 0.463 1.00 55.21 H new ATOM 0 HB3 SER A 6 1.248 12.036 0.512 1.00 55.21 H new ATOM 0 HG SER A 6 1.141 13.406 2.379 1.00 30.32 H new ATOM 67 N VAL A 7 3.392 9.051 1.592 1.00 54.24 N ATOM 68 CA VAL A 7 2.938 7.671 1.716 1.00 54.14 C ATOM 69 C VAL A 7 1.754 7.566 2.670 1.00 11.35 C ATOM 70 O VAL A 7 0.838 6.770 2.458 1.00 42.03 O ATOM 71 CB VAL A 7 4.067 6.750 2.214 1.00 40.02 C ATOM 72 CG1 VAL A 7 3.646 5.292 2.126 1.00 72.23 C ATOM 73 CG2 VAL A 7 5.341 6.994 1.419 1.00 2.22 C ATOM 0 H VAL A 7 4.297 9.237 2.025 1.00 54.24 H new ATOM 0 HA VAL A 7 2.630 7.349 0.721 1.00 54.14 H new ATOM 0 HB VAL A 7 4.267 6.982 3.260 1.00 40.02 H new ATOM 0 HG11 VAL A 7 4.457 4.657 2.482 1.00 72.23 H new ATOM 0 HG12 VAL A 7 2.761 5.131 2.742 1.00 72.23 H new ATOM 0 HG13 VAL A 7 3.417 5.041 1.090 1.00 72.23 H new ATOM 0 HG21 VAL A 7 6.129 6.335 1.784 1.00 2.22 H new ATOM 0 HG22 VAL A 7 5.156 6.790 0.364 1.00 2.22 H new ATOM 0 HG23 VAL A 7 5.651 8.032 1.539 1.00 2.22 H new ATOM 83 N LEU A 8 1.777 8.375 3.724 1.00 12.25 N ATOM 84 CA LEU A 8 0.704 8.375 4.713 1.00 4.21 C ATOM 85 C LEU A 8 0.573 7.006 5.373 1.00 70.23 C ATOM 86 O LEU A 8 1.310 6.076 5.048 1.00 44.13 O ATOM 87 CB LEU A 8 -0.620 8.768 4.058 1.00 55.10 C ATOM 88 CG LEU A 8 -0.639 10.116 3.338 1.00 40.13 C ATOM 89 CD1 LEU A 8 -1.922 10.277 2.537 1.00 0.04 C ATOM 90 CD2 LEU A 8 -0.483 11.256 4.334 1.00 72.43 C ATOM 0 H LEU A 8 2.527 9.039 3.916 1.00 12.25 H new ATOM 0 HA LEU A 8 0.952 9.106 5.482 1.00 4.21 H new ATOM 0 HB2 LEU A 8 -0.892 7.993 3.342 1.00 55.10 H new ATOM 0 HB3 LEU A 8 -1.393 8.778 4.826 1.00 55.10 H new ATOM 0 HG LEU A 8 0.203 10.147 2.646 1.00 40.13 H new ATOM 0 HD11 LEU A 8 -1.917 11.243 2.032 1.00 0.04 H new ATOM 0 HD12 LEU A 8 -1.991 9.480 1.796 1.00 0.04 H new ATOM 0 HD13 LEU A 8 -2.779 10.223 3.208 1.00 0.04 H new ATOM 0 HD21 LEU A 8 -0.499 12.208 3.803 1.00 72.43 H new ATOM 0 HD22 LEU A 8 -1.303 11.227 5.051 1.00 72.43 H new ATOM 0 HD23 LEU A 8 0.465 11.151 4.862 1.00 72.43 H new ATOM 102 N ARG A 9 -0.374 6.889 6.298 1.00 13.22 N ATOM 103 CA ARG A 9 -0.604 5.633 7.001 1.00 14.23 C ATOM 104 C ARG A 9 -1.744 5.773 8.007 1.00 41.35 C ATOM 105 O ARG A 9 -1.514 6.006 9.192 1.00 31.14 O ATOM 106 CB ARG A 9 0.671 5.186 7.720 1.00 41.03 C ATOM 107 CG ARG A 9 1.328 3.968 7.091 1.00 4.23 C ATOM 108 CD ARG A 9 0.702 2.676 7.592 1.00 42.45 C ATOM 109 NE ARG A 9 1.699 1.765 8.147 1.00 24.24 N ATOM 110 CZ ARG A 9 2.182 1.867 9.381 1.00 35.52 C ATOM 111 NH1 ARG A 9 1.761 2.835 10.183 1.00 55.50 N ATOM 112 NH2 ARG A 9 3.087 0.999 9.815 1.00 52.53 N ATOM 0 H ARG A 9 -0.994 7.649 6.578 1.00 13.22 H new ATOM 0 HA ARG A 9 -0.882 4.879 6.264 1.00 14.23 H new ATOM 0 HB2 ARG A 9 1.384 6.011 7.725 1.00 41.03 H new ATOM 0 HB3 ARG A 9 0.433 4.964 8.760 1.00 41.03 H new ATOM 0 HG2 ARG A 9 1.234 4.022 6.006 1.00 4.23 H new ATOM 0 HG3 ARG A 9 2.394 3.970 7.319 1.00 4.23 H new ATOM 0 HD2 ARG A 9 -0.043 2.906 8.354 1.00 42.45 H new ATOM 0 HD3 ARG A 9 0.179 2.185 6.772 1.00 42.45 H new ATOM 0 HE ARG A 9 2.044 1.009 7.555 1.00 24.24 H new ATOM 0 HH11 ARG A 9 1.065 3.504 9.853 1.00 55.50 H new ATOM 0 HH12 ARG A 9 2.133 2.911 11.130 1.00 55.50 H new ATOM 0 HH21 ARG A 9 3.413 0.252 9.201 1.00 52.53 H new ATOM 0 HH22 ARG A 9 3.457 1.079 10.762 1.00 52.53 H new ATOM 126 N GLY A 10 -2.974 5.631 7.522 1.00 42.02 N ATOM 127 CA GLY A 10 -4.131 5.746 8.390 1.00 42.40 C ATOM 128 C GLY A 10 -5.374 5.123 7.785 1.00 45.41 C ATOM 129 O GLY A 10 -5.834 4.075 8.236 1.00 32.42 O ATOM 0 H GLY A 10 -3.189 5.438 6.544 1.00 42.02 H new ATOM 0 HA2 GLY A 10 -3.915 5.265 9.344 1.00 42.40 H new ATOM 0 HA3 GLY A 10 -4.321 6.799 8.599 1.00 42.40 H new ATOM 133 N LYS A 11 -5.920 5.772 6.762 1.00 50.20 N ATOM 134 CA LYS A 11 -7.118 5.277 6.094 1.00 61.31 C ATOM 135 C LYS A 11 -6.758 4.267 5.009 1.00 50.53 C ATOM 136 O LYS A 11 -7.609 3.509 4.544 1.00 75.23 O ATOM 137 CB LYS A 11 -7.903 6.440 5.482 1.00 35.12 C ATOM 138 CG LYS A 11 -9.324 6.073 5.088 1.00 2.42 C ATOM 139 CD LYS A 11 -10.243 6.024 6.297 1.00 61.22 C ATOM 140 CE LYS A 11 -10.856 4.643 6.474 1.00 62.32 C ATOM 141 NZ LYS A 11 -10.035 3.782 7.368 1.00 24.10 N ATOM 0 H LYS A 11 -5.552 6.642 6.377 1.00 50.20 H new ATOM 0 HA LYS A 11 -7.739 4.779 6.838 1.00 61.31 H new ATOM 0 HB2 LYS A 11 -7.934 7.263 6.196 1.00 35.12 H new ATOM 0 HB3 LYS A 11 -7.373 6.802 4.601 1.00 35.12 H new ATOM 0 HG2 LYS A 11 -9.703 6.801 4.371 1.00 2.42 H new ATOM 0 HG3 LYS A 11 -9.325 5.104 4.589 1.00 2.42 H new ATOM 0 HD2 LYS A 11 -9.683 6.292 7.193 1.00 61.22 H new ATOM 0 HD3 LYS A 11 -11.036 6.764 6.183 1.00 61.22 H new ATOM 0 HE2 LYS A 11 -11.860 4.742 6.887 1.00 62.32 H new ATOM 0 HE3 LYS A 11 -10.957 4.163 5.501 1.00 62.32 H new ATOM 0 HZ1 LYS A 11 -10.648 3.087 7.840 1.00 24.10 H new ATOM 0 HZ2 LYS A 11 -9.316 3.283 6.806 1.00 24.10 H new ATOM 0 HZ3 LYS A 11 -9.566 4.373 8.084 1.00 24.10 H new ATOM 155 N LYS A 12 -5.490 4.261 4.610 1.00 31.24 N ATOM 156 CA LYS A 12 -5.015 3.342 3.582 1.00 40.22 C ATOM 157 C LYS A 12 -4.506 2.046 4.204 1.00 22.42 C ATOM 158 O LYS A 12 -4.683 0.966 3.643 1.00 63.33 O ATOM 159 CB LYS A 12 -3.904 3.997 2.759 1.00 65.42 C ATOM 160 CG LYS A 12 -3.060 3.003 1.977 1.00 13.24 C ATOM 161 CD LYS A 12 -1.985 3.704 1.163 1.00 13.35 C ATOM 162 CE LYS A 12 -2.591 4.663 0.149 1.00 61.42 C ATOM 163 NZ LYS A 12 -2.220 6.076 0.431 1.00 62.12 N ATOM 0 H LYS A 12 -4.773 4.883 4.983 1.00 31.24 H new ATOM 0 HA LYS A 12 -5.853 3.104 2.926 1.00 40.22 H new ATOM 0 HB2 LYS A 12 -4.349 4.709 2.064 1.00 65.42 H new ATOM 0 HB3 LYS A 12 -3.256 4.566 3.426 1.00 65.42 H new ATOM 0 HG2 LYS A 12 -2.595 2.298 2.666 1.00 13.24 H new ATOM 0 HG3 LYS A 12 -3.701 2.423 1.313 1.00 13.24 H new ATOM 0 HD2 LYS A 12 -1.320 4.251 1.831 1.00 13.35 H new ATOM 0 HD3 LYS A 12 -1.377 2.962 0.646 1.00 13.35 H new ATOM 0 HE2 LYS A 12 -2.255 4.392 -0.852 1.00 61.42 H new ATOM 0 HE3 LYS A 12 -3.676 4.564 0.159 1.00 61.42 H new ATOM 0 HZ1 LYS A 12 -2.653 6.697 -0.282 1.00 62.12 H new ATOM 0 HZ2 LYS A 12 -2.562 6.343 1.376 1.00 62.12 H new ATOM 0 HZ3 LYS A 12 -1.185 6.177 0.396 1.00 62.12 H new ATOM 177 N ALA A 13 -3.873 2.162 5.367 1.00 45.13 N ATOM 178 CA ALA A 13 -3.341 0.999 6.066 1.00 23.11 C ATOM 179 C ALA A 13 -4.432 -0.037 6.318 1.00 33.31 C ATOM 180 O ALA A 13 -4.189 -1.241 6.234 1.00 73.21 O ATOM 181 CB ALA A 13 -2.698 1.420 7.379 1.00 13.30 C ATOM 0 H ALA A 13 -3.716 3.050 5.845 1.00 45.13 H new ATOM 0 HA ALA A 13 -2.581 0.542 5.432 1.00 23.11 H new ATOM 0 HB1 ALA A 13 -2.305 0.541 7.890 1.00 13.30 H new ATOM 0 HB2 ALA A 13 -1.884 2.117 7.179 1.00 13.30 H new ATOM 0 HB3 ALA A 13 -3.443 1.904 8.010 1.00 13.30 H new ATOM 187 N ASP A 14 -5.633 0.440 6.626 1.00 23.44 N ATOM 188 CA ASP A 14 -6.761 -0.446 6.890 1.00 12.31 C ATOM 189 C ASP A 14 -7.108 -1.268 5.653 1.00 21.43 C ATOM 190 O ASP A 14 -7.829 -2.262 5.739 1.00 23.11 O ATOM 191 CB ASP A 14 -7.979 0.364 7.336 1.00 55.34 C ATOM 192 CG ASP A 14 -8.343 0.113 8.786 1.00 71.12 C ATOM 193 OD1 ASP A 14 -8.192 -1.038 9.244 1.00 4.11 O ATOM 194 OD2 ASP A 14 -8.780 1.068 9.463 1.00 53.23 O ATOM 0 H ASP A 14 -5.850 1.434 6.699 1.00 23.44 H new ATOM 0 HA ASP A 14 -6.475 -1.129 7.690 1.00 12.31 H new ATOM 0 HB2 ASP A 14 -7.777 1.426 7.194 1.00 55.34 H new ATOM 0 HB3 ASP A 14 -8.830 0.114 6.702 1.00 55.34 H new ATOM 199 N GLU A 15 -6.590 -0.847 4.504 1.00 42.41 N ATOM 200 CA GLU A 15 -6.846 -1.544 3.249 1.00 43.51 C ATOM 201 C GLU A 15 -5.612 -2.318 2.796 1.00 62.25 C ATOM 202 O GLU A 15 -5.723 -3.391 2.199 1.00 5.21 O ATOM 203 CB GLU A 15 -7.266 -0.551 2.165 1.00 55.44 C ATOM 204 CG GLU A 15 -8.769 -0.346 2.076 1.00 51.45 C ATOM 205 CD GLU A 15 -9.156 1.120 2.017 1.00 64.42 C ATOM 206 OE1 GLU A 15 -8.442 1.895 1.348 1.00 14.01 O ATOM 207 OE2 GLU A 15 -10.173 1.489 2.639 1.00 33.24 O ATOM 0 H GLU A 15 -5.990 -0.027 4.416 1.00 42.41 H new ATOM 0 HA GLU A 15 -7.657 -2.253 3.415 1.00 43.51 H new ATOM 0 HB2 GLU A 15 -6.788 0.409 2.359 1.00 55.44 H new ATOM 0 HB3 GLU A 15 -6.898 -0.902 1.201 1.00 55.44 H new ATOM 0 HG2 GLU A 15 -9.149 -0.854 1.190 1.00 51.45 H new ATOM 0 HG3 GLU A 15 -9.247 -0.810 2.939 1.00 51.45 H new ATOM 214 N LEU A 16 -4.437 -1.766 3.080 1.00 23.44 N ATOM 215 CA LEU A 16 -3.181 -2.405 2.700 1.00 15.52 C ATOM 216 C LEU A 16 -2.844 -3.550 3.649 1.00 2.44 C ATOM 217 O LEU A 16 -2.466 -4.637 3.214 1.00 30.01 O ATOM 218 CB LEU A 16 -2.047 -1.378 2.698 1.00 22.01 C ATOM 219 CG LEU A 16 -0.768 -1.793 1.969 1.00 25.33 C ATOM 220 CD1 LEU A 16 0.207 -2.450 2.934 1.00 71.41 C ATOM 221 CD2 LEU A 16 -1.092 -2.730 0.815 1.00 21.41 C ATOM 0 H LEU A 16 -4.328 -0.879 3.571 1.00 23.44 H new ATOM 0 HA LEU A 16 -3.297 -2.813 1.696 1.00 15.52 H new ATOM 0 HB2 LEU A 16 -2.417 -0.458 2.245 1.00 22.01 H new ATOM 0 HB3 LEU A 16 -1.793 -1.145 3.732 1.00 22.01 H new ATOM 0 HG LEU A 16 -0.297 -0.898 1.563 1.00 25.33 H new ATOM 0 HD11 LEU A 16 1.111 -2.739 2.398 1.00 71.41 H new ATOM 0 HD12 LEU A 16 0.464 -1.747 3.726 1.00 71.41 H new ATOM 0 HD13 LEU A 16 -0.254 -3.336 3.370 1.00 71.41 H new ATOM 0 HD21 LEU A 16 -0.170 -3.015 0.308 1.00 21.41 H new ATOM 0 HD22 LEU A 16 -1.586 -3.623 1.199 1.00 21.41 H new ATOM 0 HD23 LEU A 16 -1.752 -2.225 0.110 1.00 21.41 H new ATOM 233 N GLU A 17 -2.985 -3.299 4.947 1.00 11.41 N ATOM 234 CA GLU A 17 -2.696 -4.310 5.957 1.00 73.10 C ATOM 235 C GLU A 17 -3.672 -5.479 5.850 1.00 50.30 C ATOM 236 O GLU A 17 -3.477 -6.522 6.474 1.00 73.43 O ATOM 237 CB GLU A 17 -2.765 -3.699 7.358 1.00 53.14 C ATOM 238 CG GLU A 17 -2.510 -4.700 8.471 1.00 1.22 C ATOM 239 CD GLU A 17 -2.252 -4.032 9.808 1.00 22.00 C ATOM 240 OE1 GLU A 17 -1.078 -3.725 10.101 1.00 1.54 O ATOM 241 OE2 GLU A 17 -3.225 -3.816 10.560 1.00 12.03 O ATOM 0 H GLU A 17 -3.298 -2.404 5.324 1.00 11.41 H new ATOM 0 HA GLU A 17 -1.687 -4.684 5.782 1.00 73.10 H new ATOM 0 HB2 GLU A 17 -2.034 -2.894 7.430 1.00 53.14 H new ATOM 0 HB3 GLU A 17 -3.748 -3.251 7.502 1.00 53.14 H new ATOM 0 HG2 GLU A 17 -3.369 -5.365 8.561 1.00 1.22 H new ATOM 0 HG3 GLU A 17 -1.653 -5.320 8.208 1.00 1.22 H new ATOM 248 N ARG A 18 -4.722 -5.295 5.057 1.00 44.24 N ATOM 249 CA ARG A 18 -5.730 -6.332 4.870 1.00 44.15 C ATOM 250 C ARG A 18 -5.271 -7.355 3.835 1.00 1.13 C ATOM 251 O ARG A 18 -5.652 -8.525 3.893 1.00 75.12 O ATOM 252 CB ARG A 18 -7.057 -5.710 4.434 1.00 22.21 C ATOM 253 CG ARG A 18 -7.954 -5.312 5.595 1.00 24.31 C ATOM 254 CD ARG A 18 -8.539 -6.531 6.290 1.00 25.45 C ATOM 255 NE ARG A 18 -9.332 -7.353 5.381 1.00 41.12 N ATOM 256 CZ ARG A 18 -9.684 -8.608 5.640 1.00 43.54 C ATOM 257 NH1 ARG A 18 -9.314 -9.181 6.776 1.00 22.54 N ATOM 258 NH2 ARG A 18 -10.407 -9.290 4.762 1.00 62.21 N ATOM 0 H ARG A 18 -4.897 -4.437 4.533 1.00 44.24 H new ATOM 0 HA ARG A 18 -5.872 -6.842 5.823 1.00 44.15 H new ATOM 0 HB2 ARG A 18 -6.853 -4.829 3.825 1.00 22.21 H new ATOM 0 HB3 ARG A 18 -7.590 -6.419 3.801 1.00 22.21 H new ATOM 0 HG2 ARG A 18 -7.383 -4.722 6.312 1.00 24.31 H new ATOM 0 HG3 ARG A 18 -8.762 -4.677 5.231 1.00 24.31 H new ATOM 0 HD2 ARG A 18 -7.731 -7.131 6.710 1.00 25.45 H new ATOM 0 HD3 ARG A 18 -9.163 -6.208 7.124 1.00 25.45 H new ATOM 0 HE ARG A 18 -9.633 -6.941 4.498 1.00 41.12 H new ATOM 0 HH11 ARG A 18 -8.758 -8.659 7.453 1.00 22.54 H new ATOM 0 HH12 ARG A 18 -9.585 -10.144 6.973 1.00 22.54 H new ATOM 0 HH21 ARG A 18 -10.693 -8.851 3.887 1.00 62.21 H new ATOM 0 HH22 ARG A 18 -10.677 -10.253 4.962 1.00 62.21 H new ATOM 272 N ILE A 19 -4.451 -6.907 2.891 1.00 41.42 N ATOM 273 CA ILE A 19 -3.940 -7.784 1.844 1.00 10.00 C ATOM 274 C ILE A 19 -2.796 -8.649 2.361 1.00 32.25 C ATOM 275 O ILE A 19 -1.876 -8.155 3.013 1.00 65.32 O ATOM 276 CB ILE A 19 -3.450 -6.979 0.626 1.00 25.32 C ATOM 277 CG1 ILE A 19 -4.490 -5.931 0.227 1.00 42.33 C ATOM 278 CG2 ILE A 19 -3.155 -7.912 -0.540 1.00 42.11 C ATOM 279 CD1 ILE A 19 -4.052 -5.053 -0.925 1.00 2.44 C ATOM 0 H ILE A 19 -4.126 -5.942 2.829 1.00 41.42 H new ATOM 0 HA ILE A 19 -4.767 -8.425 1.538 1.00 10.00 H new ATOM 0 HB ILE A 19 -2.529 -6.463 0.896 1.00 25.32 H new ATOM 0 HG12 ILE A 19 -5.417 -6.436 -0.044 1.00 42.33 H new ATOM 0 HG13 ILE A 19 -4.710 -5.302 1.090 1.00 42.33 H new ATOM 0 HG21 ILE A 19 -2.810 -7.329 -1.394 1.00 42.11 H new ATOM 0 HG22 ILE A 19 -2.382 -8.624 -0.250 1.00 42.11 H new ATOM 0 HG23 ILE A 19 -4.062 -8.452 -0.812 1.00 42.11 H new ATOM 0 HD11 ILE A 19 -4.838 -4.334 -1.154 1.00 2.44 H new ATOM 0 HD12 ILE A 19 -3.141 -4.520 -0.651 1.00 2.44 H new ATOM 0 HD13 ILE A 19 -3.860 -5.672 -1.802 1.00 2.44 H new ATOM 291 N ARG A 20 -2.861 -9.943 2.067 1.00 64.33 N ATOM 292 CA ARG A 20 -1.830 -10.879 2.501 1.00 0.40 C ATOM 293 C ARG A 20 -0.877 -11.209 1.356 1.00 75.23 C ATOM 294 O ARG A 20 -1.266 -11.197 0.188 1.00 62.15 O ATOM 295 CB ARG A 20 -2.468 -12.162 3.035 1.00 65.22 C ATOM 296 CG ARG A 20 -2.883 -12.076 4.494 1.00 23.02 C ATOM 297 CD ARG A 20 -4.361 -11.747 4.635 1.00 41.34 C ATOM 298 NE ARG A 20 -5.055 -12.701 5.496 1.00 44.31 N ATOM 299 CZ ARG A 20 -5.349 -13.943 5.129 1.00 11.44 C ATOM 300 NH1 ARG A 20 -5.012 -14.380 3.924 1.00 30.03 N ATOM 301 NH2 ARG A 20 -5.982 -14.752 5.971 1.00 42.03 N ATOM 0 H ARG A 20 -3.617 -10.368 1.530 1.00 64.33 H new ATOM 0 HA ARG A 20 -1.259 -10.406 3.300 1.00 0.40 H new ATOM 0 HB2 ARG A 20 -3.343 -12.401 2.431 1.00 65.22 H new ATOM 0 HB3 ARG A 20 -1.764 -12.985 2.915 1.00 65.22 H new ATOM 0 HG2 ARG A 20 -2.671 -13.023 4.990 1.00 23.02 H new ATOM 0 HG3 ARG A 20 -2.290 -11.313 4.998 1.00 23.02 H new ATOM 0 HD2 ARG A 20 -4.471 -10.743 5.044 1.00 41.34 H new ATOM 0 HD3 ARG A 20 -4.827 -11.743 3.650 1.00 41.34 H new ATOM 0 HE ARG A 20 -5.329 -12.397 6.430 1.00 44.31 H new ATOM 0 HH11 ARG A 20 -4.525 -13.762 3.275 1.00 30.03 H new ATOM 0 HH12 ARG A 20 -5.239 -15.335 3.646 1.00 30.03 H new ATOM 0 HH21 ARG A 20 -6.242 -14.419 6.899 1.00 42.03 H new ATOM 0 HH22 ARG A 20 -6.208 -15.706 5.689 1.00 42.03 H new ATOM 315 N LEU A 21 0.372 -11.503 1.699 1.00 21.13 N ATOM 316 CA LEU A 21 1.382 -11.837 0.700 1.00 74.14 C ATOM 317 C LEU A 21 0.994 -13.098 -0.066 1.00 74.24 C ATOM 318 O LEU A 21 1.463 -13.328 -1.181 1.00 0.32 O ATOM 319 CB LEU A 21 2.744 -12.031 1.367 1.00 21.44 C ATOM 320 CG LEU A 21 3.459 -10.756 1.815 1.00 4.32 C ATOM 321 CD1 LEU A 21 4.614 -11.091 2.745 1.00 5.05 C ATOM 322 CD2 LEU A 21 3.954 -9.971 0.609 1.00 52.31 C ATOM 0 H LEU A 21 0.710 -11.517 2.661 1.00 21.13 H new ATOM 0 HA LEU A 21 1.445 -11.009 -0.007 1.00 74.14 H new ATOM 0 HB2 LEU A 21 2.612 -12.674 2.237 1.00 21.44 H new ATOM 0 HB3 LEU A 21 3.394 -12.563 0.672 1.00 21.44 H new ATOM 0 HG LEU A 21 2.748 -10.136 2.361 1.00 4.32 H new ATOM 0 HD11 LEU A 21 5.111 -10.171 3.054 1.00 5.05 H new ATOM 0 HD12 LEU A 21 4.234 -11.611 3.624 1.00 5.05 H new ATOM 0 HD13 LEU A 21 5.326 -11.731 2.225 1.00 5.05 H new ATOM 0 HD21 LEU A 21 4.460 -9.067 0.946 1.00 52.31 H new ATOM 0 HD22 LEU A 21 4.650 -10.584 0.036 1.00 52.31 H new ATOM 0 HD23 LEU A 21 3.107 -9.699 -0.021 1.00 52.31 H new ATOM 334 N ARG A 22 0.131 -13.909 0.537 1.00 4.43 N ATOM 335 CA ARG A 22 -0.321 -15.146 -0.088 1.00 4.22 C ATOM 336 C ARG A 22 -1.629 -15.624 0.534 1.00 14.52 C ATOM 337 O ARG A 22 -1.931 -15.346 1.695 1.00 14.21 O ATOM 338 CB ARG A 22 0.749 -16.232 0.049 1.00 54.11 C ATOM 339 CG ARG A 22 1.345 -16.671 -1.278 1.00 42.42 C ATOM 340 CD ARG A 22 1.464 -18.184 -1.363 1.00 3.51 C ATOM 341 NE ARG A 22 2.599 -18.598 -2.184 1.00 34.44 N ATOM 342 CZ ARG A 22 3.052 -19.847 -2.236 1.00 54.50 C ATOM 343 NH1 ARG A 22 2.469 -20.796 -1.518 1.00 35.54 N ATOM 344 NH2 ARG A 22 4.088 -20.145 -3.007 1.00 23.25 N ATOM 0 H ARG A 22 -0.269 -13.731 1.458 1.00 4.43 H new ATOM 0 HA ARG A 22 -0.494 -14.947 -1.146 1.00 4.22 H new ATOM 0 HB2 ARG A 22 1.548 -15.864 0.692 1.00 54.11 H new ATOM 0 HB3 ARG A 22 0.313 -17.099 0.546 1.00 54.11 H new ATOM 0 HG2 ARG A 22 0.722 -16.308 -2.095 1.00 42.42 H new ATOM 0 HG3 ARG A 22 2.330 -16.220 -1.403 1.00 42.42 H new ATOM 0 HD2 ARG A 22 1.573 -18.596 -0.360 1.00 3.51 H new ATOM 0 HD3 ARG A 22 0.545 -18.597 -1.779 1.00 3.51 H new ATOM 0 HE ARG A 22 3.070 -17.890 -2.748 1.00 34.44 H new ATOM 0 HH11 ARG A 22 1.671 -20.569 -0.924 1.00 35.54 H new ATOM 0 HH12 ARG A 22 2.818 -21.754 -1.559 1.00 35.54 H new ATOM 0 HH21 ARG A 22 4.538 -19.416 -3.561 1.00 23.25 H new ATOM 0 HH22 ARG A 22 4.435 -21.103 -3.047 1.00 23.25 H new ATOM 358 N PRO A 23 -2.426 -16.359 -0.254 1.00 61.42 N ATOM 359 CA PRO A 23 -3.715 -16.891 0.197 1.00 51.51 C ATOM 360 C PRO A 23 -3.555 -17.998 1.234 1.00 40.22 C ATOM 361 O PRO A 23 -2.818 -18.960 1.019 1.00 15.01 O ATOM 362 CB PRO A 23 -4.340 -17.445 -1.085 1.00 44.43 C ATOM 363 CG PRO A 23 -3.180 -17.757 -1.967 1.00 74.02 C ATOM 364 CD PRO A 23 -2.130 -16.730 -1.649 1.00 12.44 C ATOM 0 HA PRO A 23 -4.321 -16.129 0.687 1.00 51.51 H new ATOM 0 HB2 PRO A 23 -4.935 -18.336 -0.883 1.00 44.43 H new ATOM 0 HB3 PRO A 23 -5.005 -16.716 -1.548 1.00 44.43 H new ATOM 0 HG2 PRO A 23 -2.809 -18.765 -1.782 1.00 74.02 H new ATOM 0 HG3 PRO A 23 -3.465 -17.711 -3.018 1.00 74.02 H new ATOM 0 HD2 PRO A 23 -1.125 -17.138 -1.751 1.00 12.44 H new ATOM 0 HD3 PRO A 23 -2.194 -15.870 -2.316 1.00 12.44 H new ATOM 372 N GLY A 24 -4.249 -17.855 2.358 1.00 23.11 N ATOM 373 CA GLY A 24 -4.169 -18.851 3.411 1.00 61.41 C ATOM 374 C GLY A 24 -2.872 -18.768 4.191 1.00 12.44 C ATOM 375 O GLY A 24 -2.680 -19.489 5.169 1.00 2.02 O ATOM 0 H GLY A 24 -4.865 -17.067 2.559 1.00 23.11 H new ATOM 0 HA2 GLY A 24 -5.009 -18.721 4.094 1.00 61.41 H new ATOM 0 HA3 GLY A 24 -4.264 -19.845 2.974 1.00 61.41 H new ATOM 379 N GLY A 25 -1.978 -17.884 3.758 1.00 2.31 N ATOM 380 CA GLY A 25 -0.703 -17.726 4.433 1.00 22.50 C ATOM 381 C GLY A 25 -0.834 -16.996 5.755 1.00 51.03 C ATOM 382 O GLY A 25 -1.934 -16.855 6.289 1.00 12.32 O ATOM 0 H GLY A 25 -2.114 -17.274 2.952 1.00 2.31 H new ATOM 0 HA2 GLY A 25 -0.263 -18.708 4.606 1.00 22.50 H new ATOM 0 HA3 GLY A 25 -0.018 -17.179 3.786 1.00 22.50 H new ATOM 386 N LYS A 26 0.292 -16.530 6.285 1.00 31.42 N ATOM 387 CA LYS A 26 0.301 -15.810 7.554 1.00 75.23 C ATOM 388 C LYS A 26 1.211 -14.589 7.479 1.00 0.55 C ATOM 389 O LYS A 26 2.021 -14.350 8.376 1.00 50.32 O ATOM 390 CB LYS A 26 0.759 -16.733 8.684 1.00 20.53 C ATOM 391 CG LYS A 26 0.067 -18.085 8.684 1.00 24.45 C ATOM 392 CD LYS A 26 0.283 -18.823 9.995 1.00 53.20 C ATOM 393 CE LYS A 26 0.331 -20.328 9.787 1.00 74.50 C ATOM 394 NZ LYS A 26 -0.957 -20.981 10.154 1.00 43.43 N ATOM 0 H LYS A 26 1.211 -16.638 5.855 1.00 31.42 H new ATOM 0 HA LYS A 26 -0.715 -15.472 7.759 1.00 75.23 H new ATOM 0 HB2 LYS A 26 1.835 -16.885 8.604 1.00 20.53 H new ATOM 0 HB3 LYS A 26 0.577 -16.241 9.640 1.00 20.53 H new ATOM 0 HG2 LYS A 26 -1.001 -17.948 8.514 1.00 24.45 H new ATOM 0 HG3 LYS A 26 0.446 -18.688 7.859 1.00 24.45 H new ATOM 0 HD2 LYS A 26 1.214 -18.488 10.453 1.00 53.20 H new ATOM 0 HD3 LYS A 26 -0.520 -18.576 10.689 1.00 53.20 H new ATOM 0 HE2 LYS A 26 0.563 -20.543 8.744 1.00 74.50 H new ATOM 0 HE3 LYS A 26 1.137 -20.752 10.386 1.00 74.50 H new ATOM 0 HZ1 LYS A 26 -0.883 -22.007 9.998 1.00 43.43 H new ATOM 0 HZ2 LYS A 26 -1.166 -20.797 11.156 1.00 43.43 H new ATOM 0 HZ3 LYS A 26 -1.722 -20.595 9.564 1.00 43.43 H new ATOM 408 N LYS A 27 1.072 -13.817 6.406 1.00 31.54 N ATOM 409 CA LYS A 27 1.880 -12.618 6.216 1.00 32.23 C ATOM 410 C LYS A 27 1.066 -11.515 5.548 1.00 71.10 C ATOM 411 O LYS A 27 0.524 -11.701 4.459 1.00 61.44 O ATOM 412 CB LYS A 27 3.114 -12.939 5.371 1.00 21.23 C ATOM 413 CG LYS A 27 4.420 -12.842 6.140 1.00 42.51 C ATOM 414 CD LYS A 27 5.569 -13.470 5.369 1.00 1.23 C ATOM 415 CE LYS A 27 6.870 -12.715 5.597 1.00 51.11 C ATOM 416 NZ LYS A 27 6.852 -11.372 4.955 1.00 63.23 N ATOM 0 H LYS A 27 0.407 -14.001 5.655 1.00 31.54 H new ATOM 0 HA LYS A 27 2.200 -12.266 7.197 1.00 32.23 H new ATOM 0 HB2 LYS A 27 3.015 -13.946 4.966 1.00 21.23 H new ATOM 0 HB3 LYS A 27 3.150 -12.256 4.522 1.00 21.23 H new ATOM 0 HG2 LYS A 27 4.646 -11.795 6.344 1.00 42.51 H new ATOM 0 HG3 LYS A 27 4.313 -13.339 7.104 1.00 42.51 H new ATOM 0 HD2 LYS A 27 5.691 -14.509 5.677 1.00 1.23 H new ATOM 0 HD3 LYS A 27 5.333 -13.478 4.305 1.00 1.23 H new ATOM 0 HE2 LYS A 27 7.042 -12.603 6.668 1.00 51.11 H new ATOM 0 HE3 LYS A 27 7.702 -13.296 5.199 1.00 51.11 H new ATOM 0 HZ1 LYS A 27 7.586 -10.773 5.383 1.00 63.23 H new ATOM 0 HZ2 LYS A 27 7.037 -11.472 3.936 1.00 63.23 H new ATOM 0 HZ3 LYS A 27 5.920 -10.932 5.097 1.00 63.23 H new ATOM 430 N LYS A 28 0.984 -10.364 6.207 1.00 21.34 N ATOM 431 CA LYS A 28 0.239 -9.229 5.677 1.00 35.13 C ATOM 432 C LYS A 28 1.186 -8.146 5.169 1.00 32.13 C ATOM 433 O LYS A 28 2.229 -7.889 5.770 1.00 13.13 O ATOM 434 CB LYS A 28 -0.684 -8.651 6.753 1.00 74.34 C ATOM 435 CG LYS A 28 -1.518 -9.701 7.466 1.00 11.34 C ATOM 436 CD LYS A 28 -2.987 -9.318 7.501 1.00 73.31 C ATOM 437 CE LYS A 28 -3.804 -10.310 8.314 1.00 62.42 C ATOM 438 NZ LYS A 28 -3.940 -9.884 9.734 1.00 73.42 N ATOM 0 H LYS A 28 1.425 -10.193 7.111 1.00 21.34 H new ATOM 0 HA LYS A 28 -0.364 -9.581 4.840 1.00 35.13 H new ATOM 0 HB2 LYS A 28 -0.082 -8.117 7.488 1.00 74.34 H new ATOM 0 HB3 LYS A 28 -1.350 -7.920 6.294 1.00 74.34 H new ATOM 0 HG2 LYS A 28 -1.403 -10.661 6.963 1.00 11.34 H new ATOM 0 HG3 LYS A 28 -1.150 -9.829 8.484 1.00 11.34 H new ATOM 0 HD2 LYS A 28 -3.094 -8.321 7.928 1.00 73.31 H new ATOM 0 HD3 LYS A 28 -3.376 -9.272 6.484 1.00 73.31 H new ATOM 0 HE2 LYS A 28 -4.794 -10.415 7.870 1.00 62.42 H new ATOM 0 HE3 LYS A 28 -3.330 -11.291 8.273 1.00 62.42 H new ATOM 0 HZ1 LYS A 28 -4.503 -10.586 10.255 1.00 73.42 H new ATOM 0 HZ2 LYS A 28 -2.997 -9.808 10.165 1.00 73.42 H new ATOM 0 HZ3 LYS A 28 -4.415 -8.960 9.775 1.00 73.42 H new ATOM 452 N TYR A 29 0.814 -7.513 4.062 1.00 71.12 N ATOM 453 CA TYR A 29 1.631 -6.459 3.474 1.00 10.41 C ATOM 454 C TYR A 29 1.864 -5.328 4.473 1.00 63.41 C ATOM 455 O TYR A 29 1.001 -5.027 5.297 1.00 42.31 O ATOM 456 CB TYR A 29 0.962 -5.910 2.212 1.00 2.03 C ATOM 457 CG TYR A 29 1.300 -6.688 0.960 1.00 10.43 C ATOM 458 CD1 TYR A 29 2.567 -6.614 0.395 1.00 34.41 C ATOM 459 CD2 TYR A 29 0.352 -7.494 0.344 1.00 71.02 C ATOM 460 CE1 TYR A 29 2.880 -7.322 -0.750 1.00 30.13 C ATOM 461 CE2 TYR A 29 0.657 -8.207 -0.800 1.00 52.33 C ATOM 462 CZ TYR A 29 1.921 -8.118 -1.342 1.00 43.34 C ATOM 463 OH TYR A 29 2.229 -8.825 -2.483 1.00 34.13 O ATOM 0 H TYR A 29 -0.048 -7.712 3.554 1.00 71.12 H new ATOM 0 HA TYR A 29 2.597 -6.889 3.208 1.00 10.41 H new ATOM 0 HB2 TYR A 29 -0.119 -5.915 2.352 1.00 2.03 H new ATOM 0 HB3 TYR A 29 1.261 -4.871 2.075 1.00 2.03 H new ATOM 0 HD1 TYR A 29 3.320 -5.993 0.858 1.00 34.41 H new ATOM 0 HD2 TYR A 29 -0.640 -7.565 0.766 1.00 71.02 H new ATOM 0 HE1 TYR A 29 3.869 -7.253 -1.179 1.00 30.13 H new ATOM 0 HE2 TYR A 29 -0.091 -8.831 -1.267 1.00 52.33 H new ATOM 0 HH TYR A 29 1.680 -9.636 -2.524 1.00 34.13 H new ATOM 473 N ARG A 30 3.036 -4.708 4.391 1.00 50.11 N ATOM 474 CA ARG A 30 3.384 -3.611 5.287 1.00 60.50 C ATOM 475 C ARG A 30 4.355 -2.646 4.613 1.00 74.33 C ATOM 476 O ARG A 30 4.931 -2.956 3.570 1.00 54.13 O ATOM 477 CB ARG A 30 4.002 -4.156 6.577 1.00 55.45 C ATOM 478 CG ARG A 30 3.073 -4.076 7.776 1.00 5.14 C ATOM 479 CD ARG A 30 3.840 -3.773 9.055 1.00 12.31 C ATOM 480 NE ARG A 30 4.233 -4.990 9.759 1.00 30.40 N ATOM 481 CZ ARG A 30 4.630 -5.011 11.027 1.00 52.13 C ATOM 482 NH1 ARG A 30 4.686 -3.885 11.725 1.00 0.44 N ATOM 483 NH2 ARG A 30 4.971 -6.158 11.598 1.00 34.33 N ATOM 0 H ARG A 30 3.761 -4.946 3.714 1.00 50.11 H new ATOM 0 HA ARG A 30 2.470 -3.069 5.530 1.00 60.50 H new ATOM 0 HB2 ARG A 30 4.292 -5.195 6.421 1.00 55.45 H new ATOM 0 HB3 ARG A 30 4.914 -3.601 6.796 1.00 55.45 H new ATOM 0 HG2 ARG A 30 2.325 -3.302 7.607 1.00 5.14 H new ATOM 0 HG3 ARG A 30 2.537 -5.019 7.886 1.00 5.14 H new ATOM 0 HD2 ARG A 30 4.729 -3.190 8.815 1.00 12.31 H new ATOM 0 HD3 ARG A 30 3.223 -3.158 9.711 1.00 12.31 H new ATOM 0 HE ARG A 30 4.201 -5.873 9.249 1.00 30.40 H new ATOM 0 HH11 ARG A 30 4.424 -3.001 11.289 1.00 0.44 H new ATOM 0 HH12 ARG A 30 4.991 -3.903 12.698 1.00 0.44 H new ATOM 0 HH21 ARG A 30 4.929 -7.026 11.064 1.00 34.33 H new ATOM 0 HH22 ARG A 30 5.276 -6.172 12.571 1.00 34.33 H new ATOM 497 N LEU A 31 4.529 -1.475 5.215 1.00 1.24 N ATOM 498 CA LEU A 31 5.430 -0.463 4.674 1.00 52.44 C ATOM 499 C LEU A 31 6.772 -1.077 4.289 1.00 72.11 C ATOM 500 O LEU A 31 7.425 -0.628 3.347 1.00 43.40 O ATOM 501 CB LEU A 31 5.643 0.657 5.694 1.00 73.22 C ATOM 502 CG LEU A 31 5.362 2.077 5.200 1.00 43.14 C ATOM 503 CD1 LEU A 31 3.939 2.187 4.674 1.00 54.31 C ATOM 504 CD2 LEU A 31 5.601 3.085 6.314 1.00 51.24 C ATOM 0 H LEU A 31 4.058 -1.202 6.078 1.00 1.24 H new ATOM 0 HA LEU A 31 4.971 -0.047 3.777 1.00 52.44 H new ATOM 0 HB2 LEU A 31 5.006 0.461 6.557 1.00 73.22 H new ATOM 0 HB3 LEU A 31 6.675 0.612 6.042 1.00 73.22 H new ATOM 0 HG LEU A 31 6.047 2.300 4.382 1.00 43.14 H new ATOM 0 HD11 LEU A 31 3.757 3.204 4.327 1.00 54.31 H new ATOM 0 HD12 LEU A 31 3.802 1.491 3.846 1.00 54.31 H new ATOM 0 HD13 LEU A 31 3.237 1.945 5.471 1.00 54.31 H new ATOM 0 HD21 LEU A 31 5.396 4.090 5.945 1.00 51.24 H new ATOM 0 HD22 LEU A 31 4.940 2.864 7.152 1.00 51.24 H new ATOM 0 HD23 LEU A 31 6.638 3.024 6.644 1.00 51.24 H new ATOM 516 N LYS A 32 7.176 -2.109 5.021 1.00 73.22 N ATOM 517 CA LYS A 32 8.437 -2.789 4.755 1.00 24.52 C ATOM 518 C LYS A 32 8.567 -3.139 3.277 1.00 73.23 C ATOM 519 O LYS A 32 9.663 -3.117 2.716 1.00 54.52 O ATOM 520 CB LYS A 32 8.544 -4.059 5.602 1.00 21.25 C ATOM 521 CG LYS A 32 9.744 -4.071 6.534 1.00 74.02 C ATOM 522 CD LYS A 32 10.915 -4.825 5.925 1.00 13.31 C ATOM 523 CE LYS A 32 10.844 -6.310 6.238 1.00 21.53 C ATOM 524 NZ LYS A 32 11.838 -7.091 5.450 1.00 44.13 N ATOM 0 H LYS A 32 6.647 -2.493 5.804 1.00 73.22 H new ATOM 0 HA LYS A 32 9.248 -2.112 5.022 1.00 24.52 H new ATOM 0 HB2 LYS A 32 7.635 -4.169 6.193 1.00 21.25 H new ATOM 0 HB3 LYS A 32 8.600 -4.923 4.940 1.00 21.25 H new ATOM 0 HG2 LYS A 32 10.045 -3.047 6.755 1.00 74.02 H new ATOM 0 HG3 LYS A 32 9.466 -4.533 7.481 1.00 74.02 H new ATOM 0 HD2 LYS A 32 10.921 -4.680 4.845 1.00 13.31 H new ATOM 0 HD3 LYS A 32 11.851 -4.416 6.306 1.00 13.31 H new ATOM 0 HE2 LYS A 32 11.021 -6.466 7.302 1.00 21.53 H new ATOM 0 HE3 LYS A 32 9.841 -6.679 6.024 1.00 21.53 H new ATOM 0 HZ1 LYS A 32 11.758 -8.099 5.692 1.00 44.13 H new ATOM 0 HZ2 LYS A 32 11.654 -6.963 4.434 1.00 44.13 H new ATOM 0 HZ3 LYS A 32 12.797 -6.757 5.673 1.00 44.13 H new ATOM 538 N HIS A 33 7.440 -3.462 2.649 1.00 12.33 N ATOM 539 CA HIS A 33 7.425 -3.815 1.233 1.00 2.24 C ATOM 540 C HIS A 33 7.345 -2.563 0.363 1.00 4.34 C ATOM 541 O HIS A 33 8.104 -2.499 -0.604 1.00 53.33 O ATOM 542 CB HIS A 33 6.247 -4.739 0.928 1.00 70.13 C ATOM 543 CG HIS A 33 6.127 -5.891 1.877 1.00 32.13 C ATOM 544 ND1 HIS A 33 5.022 -6.097 2.676 1.00 71.44 N ATOM 545 CD2 HIS A 33 6.981 -6.903 2.152 1.00 25.13 C ATOM 546 CE1 HIS A 33 5.204 -7.185 3.402 1.00 33.21 C ATOM 547 NE2 HIS A 33 6.385 -7.695 3.102 1.00 3.32 N ATOM 0 H HIS A 33 6.525 -3.487 3.099 1.00 12.33 H new ATOM 0 HA HIS A 33 8.354 -4.337 1.004 1.00 2.24 H new ATOM 0 HB2 HIS A 33 5.325 -4.159 0.955 1.00 70.13 H new ATOM 0 HB3 HIS A 33 6.351 -5.124 -0.086 1.00 70.13 H new ATOM 0 HD2 HIS A 33 7.952 -7.059 1.707 1.00 25.13 H new ATOM 0 HE1 HIS A 33 4.505 -7.589 4.120 1.00 33.21 H new ATOM 0 HE2 HIS A 33 6.788 -8.539 3.509 1.00 3.32 H new ATOM 555 N ILE A 34 6.479 -1.604 0.671 1.00 60.55 N ATOM 556 CA ILE A 34 6.367 -0.391 -0.131 1.00 24.21 C ATOM 557 C ILE A 34 7.705 0.334 -0.220 1.00 23.13 C ATOM 558 O ILE A 34 8.029 0.939 -1.242 1.00 64.34 O ATOM 559 CB ILE A 34 5.312 0.570 0.448 1.00 51.22 C ATOM 560 CG1 ILE A 34 3.925 -0.074 0.405 1.00 14.14 C ATOM 561 CG2 ILE A 34 5.316 1.884 -0.320 1.00 41.33 C ATOM 562 CD1 ILE A 34 3.449 -0.572 1.752 1.00 44.21 C ATOM 0 H ILE A 34 5.845 -1.643 1.469 1.00 60.55 H new ATOM 0 HA ILE A 34 6.057 -0.699 -1.129 1.00 24.21 H new ATOM 0 HB ILE A 34 5.563 0.778 1.488 1.00 51.22 H new ATOM 0 HG12 ILE A 34 3.208 0.651 0.021 1.00 14.14 H new ATOM 0 HG13 ILE A 34 3.942 -0.908 -0.297 1.00 14.14 H new ATOM 0 HG21 ILE A 34 4.565 2.553 0.100 1.00 41.33 H new ATOM 0 HG22 ILE A 34 6.300 2.348 -0.243 1.00 41.33 H new ATOM 0 HG23 ILE A 34 5.086 1.693 -1.368 1.00 41.33 H new ATOM 0 HD11 ILE A 34 2.459 -1.016 1.647 1.00 44.21 H new ATOM 0 HD12 ILE A 34 4.145 -1.321 2.130 1.00 44.21 H new ATOM 0 HD13 ILE A 34 3.399 0.262 2.452 1.00 44.21 H new ATOM 574 N VAL A 35 8.481 0.267 0.858 1.00 51.44 N ATOM 575 CA VAL A 35 9.787 0.915 0.901 1.00 32.22 C ATOM 576 C VAL A 35 10.823 0.117 0.117 1.00 35.53 C ATOM 577 O VAL A 35 11.683 0.687 -0.553 1.00 12.14 O ATOM 578 CB VAL A 35 10.278 1.090 2.350 1.00 23.20 C ATOM 579 CG1 VAL A 35 11.690 1.656 2.370 1.00 22.32 C ATOM 580 CG2 VAL A 35 9.327 1.982 3.132 1.00 55.24 C ATOM 0 H VAL A 35 8.228 -0.229 1.712 1.00 51.44 H new ATOM 0 HA VAL A 35 9.669 1.897 0.444 1.00 32.22 H new ATOM 0 HB VAL A 35 10.297 0.111 2.829 1.00 23.20 H new ATOM 0 HG11 VAL A 35 12.021 1.773 3.402 1.00 22.32 H new ATOM 0 HG12 VAL A 35 12.362 0.975 1.849 1.00 22.32 H new ATOM 0 HG13 VAL A 35 11.700 2.626 1.874 1.00 22.32 H new ATOM 0 HG21 VAL A 35 9.690 2.094 4.154 1.00 55.24 H new ATOM 0 HG22 VAL A 35 9.273 2.961 2.657 1.00 55.24 H new ATOM 0 HG23 VAL A 35 8.335 1.531 3.147 1.00 55.24 H new ATOM 590 N TRP A 36 10.733 -1.205 0.206 1.00 72.44 N ATOM 591 CA TRP A 36 11.663 -2.083 -0.496 1.00 52.13 C ATOM 592 C TRP A 36 11.411 -2.053 -2.000 1.00 34.03 C ATOM 593 O TRP A 36 12.349 -2.052 -2.795 1.00 13.12 O ATOM 594 CB TRP A 36 11.536 -3.515 0.026 1.00 71.03 C ATOM 595 CG TRP A 36 12.348 -4.505 -0.753 1.00 64.13 C ATOM 596 CD1 TRP A 36 13.618 -4.925 -0.473 1.00 53.11 C ATOM 597 CD2 TRP A 36 11.948 -5.196 -1.941 1.00 63.34 C ATOM 598 NE1 TRP A 36 14.030 -5.836 -1.416 1.00 13.32 N ATOM 599 CE2 TRP A 36 13.024 -6.021 -2.327 1.00 2.42 C ATOM 600 CE3 TRP A 36 10.785 -5.202 -2.716 1.00 21.32 C ATOM 601 CZ2 TRP A 36 12.969 -6.838 -3.452 1.00 20.52 C ATOM 602 CZ3 TRP A 36 10.732 -6.014 -3.833 1.00 41.10 C ATOM 603 CH2 TRP A 36 11.818 -6.823 -4.192 1.00 70.21 C ATOM 0 H TRP A 36 10.026 -1.693 0.757 1.00 72.44 H new ATOM 0 HA TRP A 36 12.675 -1.723 -0.309 1.00 52.13 H new ATOM 0 HB2 TRP A 36 11.847 -3.542 1.070 1.00 71.03 H new ATOM 0 HB3 TRP A 36 10.488 -3.813 -0.002 1.00 71.03 H new ATOM 0 HD1 TRP A 36 14.211 -4.590 0.366 1.00 53.11 H new ATOM 0 HE1 TRP A 36 14.938 -6.300 -1.434 1.00 13.32 H new ATOM 0 HE3 TRP A 36 9.942 -4.583 -2.447 1.00 21.32 H new ATOM 0 HZ2 TRP A 36 13.805 -7.462 -3.731 1.00 20.52 H new ATOM 0 HZ3 TRP A 36 9.838 -6.025 -4.439 1.00 41.10 H new ATOM 0 HH2 TRP A 36 11.745 -7.447 -5.070 1.00 70.21 H new ATOM 614 N ALA A 37 10.138 -2.027 -2.381 1.00 54.21 N ATOM 615 CA ALA A 37 9.763 -1.994 -3.790 1.00 51.31 C ATOM 616 C ALA A 37 10.372 -0.784 -4.491 1.00 61.01 C ATOM 617 O ALA A 37 10.965 -0.909 -5.563 1.00 30.34 O ATOM 618 CB ALA A 37 8.249 -1.982 -3.933 1.00 53.23 C ATOM 0 H ALA A 37 9.349 -2.028 -1.734 1.00 54.21 H new ATOM 0 HA ALA A 37 10.155 -2.893 -4.266 1.00 51.31 H new ATOM 0 HB1 ALA A 37 7.984 -1.957 -4.990 1.00 53.23 H new ATOM 0 HB2 ALA A 37 7.833 -2.880 -3.475 1.00 53.23 H new ATOM 0 HB3 ALA A 37 7.844 -1.100 -3.436 1.00 53.23 H new ATOM 624 N ALA A 38 10.221 0.387 -3.880 1.00 41.14 N ATOM 625 CA ALA A 38 10.758 1.618 -4.446 1.00 71.24 C ATOM 626 C ALA A 38 12.283 1.607 -4.439 1.00 1.53 C ATOM 627 O ALA A 38 12.921 2.127 -5.353 1.00 30.50 O ATOM 628 CB ALA A 38 10.233 2.824 -3.680 1.00 60.21 C ATOM 0 H ALA A 38 9.731 0.509 -2.993 1.00 41.14 H new ATOM 0 HA ALA A 38 10.427 1.687 -5.482 1.00 71.24 H new ATOM 0 HB1 ALA A 38 10.642 3.737 -4.113 1.00 60.21 H new ATOM 0 HB2 ALA A 38 9.145 2.849 -3.742 1.00 60.21 H new ATOM 0 HB3 ALA A 38 10.535 2.751 -2.635 1.00 60.21 H new ATOM 634 N ASN A 39 12.861 1.011 -3.401 1.00 13.32 N ATOM 635 CA ASN A 39 14.311 0.934 -3.274 1.00 43.32 C ATOM 636 C ASN A 39 14.896 -0.029 -4.302 1.00 44.51 C ATOM 637 O ASN A 39 16.000 0.179 -4.808 1.00 54.03 O ATOM 638 CB ASN A 39 14.698 0.489 -1.863 1.00 31.44 C ATOM 639 CG ASN A 39 15.784 1.358 -1.258 1.00 60.25 C ATOM 640 OD1 ASN A 39 15.502 2.386 -0.643 1.00 75.31 O ATOM 641 ND2 ASN A 39 17.035 0.948 -1.433 1.00 20.11 N ATOM 0 H ASN A 39 12.347 0.574 -2.636 1.00 13.32 H new ATOM 0 HA ASN A 39 14.720 1.927 -3.459 1.00 43.32 H new ATOM 0 HB2 ASN A 39 13.817 0.516 -1.222 1.00 31.44 H new ATOM 0 HB3 ASN A 39 15.039 -0.546 -1.892 1.00 31.44 H new ATOM 0 HD21 ASN A 39 17.808 1.492 -1.050 1.00 20.11 H new ATOM 0 HD22 ASN A 39 17.223 0.089 -1.950 1.00 20.11 H new ATOM 648 N LYS A 40 14.150 -1.084 -4.608 1.00 71.23 N ATOM 649 CA LYS A 40 14.592 -2.081 -5.577 1.00 51.11 C ATOM 650 C LYS A 40 14.453 -1.553 -7.002 1.00 11.11 C ATOM 651 O LYS A 40 15.278 -1.847 -7.867 1.00 5.44 O ATOM 652 CB LYS A 40 13.783 -3.370 -5.418 1.00 41.12 C ATOM 653 CG LYS A 40 14.631 -4.630 -5.471 1.00 71.14 C ATOM 654 CD LYS A 40 15.368 -4.861 -4.163 1.00 40.42 C ATOM 655 CE LYS A 40 16.815 -4.399 -4.250 1.00 42.35 C ATOM 656 NZ LYS A 40 17.769 -5.531 -4.099 1.00 64.03 N ATOM 0 H LYS A 40 13.235 -1.272 -4.199 1.00 71.23 H new ATOM 0 HA LYS A 40 15.644 -2.294 -5.388 1.00 51.11 H new ATOM 0 HB2 LYS A 40 13.250 -3.340 -4.467 1.00 41.12 H new ATOM 0 HB3 LYS A 40 13.029 -3.416 -6.204 1.00 41.12 H new ATOM 0 HG2 LYS A 40 13.996 -5.489 -5.688 1.00 71.14 H new ATOM 0 HG3 LYS A 40 15.350 -4.552 -6.286 1.00 71.14 H new ATOM 0 HD2 LYS A 40 14.862 -4.326 -3.359 1.00 40.42 H new ATOM 0 HD3 LYS A 40 15.338 -5.921 -3.909 1.00 40.42 H new ATOM 0 HE2 LYS A 40 16.982 -3.909 -5.209 1.00 42.35 H new ATOM 0 HE3 LYS A 40 17.006 -3.657 -3.475 1.00 42.35 H new ATOM 0 HZ1 LYS A 40 18.744 -5.175 -4.164 1.00 64.03 H new ATOM 0 HZ2 LYS A 40 17.627 -5.984 -3.173 1.00 64.03 H new ATOM 0 HZ3 LYS A 40 17.604 -6.227 -4.854 1.00 64.03 H new ATOM 670 N LEU A 41 13.404 -0.771 -7.239 1.00 23.42 N ATOM 671 CA LEU A 41 13.158 -0.201 -8.559 1.00 23.24 C ATOM 672 C LEU A 41 14.309 0.706 -8.982 1.00 72.52 C ATOM 673 O LEU A 41 14.982 0.446 -9.980 1.00 1.23 O ATOM 674 CB LEU A 41 11.847 0.585 -8.559 1.00 74.31 C ATOM 675 CG LEU A 41 10.565 -0.248 -8.529 1.00 54.42 C ATOM 676 CD1 LEU A 41 9.392 0.593 -8.049 1.00 1.34 C ATOM 677 CD2 LEU A 41 10.275 -0.831 -9.905 1.00 4.31 C ATOM 0 H LEU A 41 12.711 -0.518 -6.534 1.00 23.42 H new ATOM 0 HA LEU A 41 13.083 -1.020 -9.275 1.00 23.24 H new ATOM 0 HB2 LEU A 41 11.845 1.249 -7.695 1.00 74.31 H new ATOM 0 HB3 LEU A 41 11.825 1.217 -9.447 1.00 74.31 H new ATOM 0 HG LEU A 41 10.707 -1.071 -7.829 1.00 54.42 H new ATOM 0 HD11 LEU A 41 8.489 -0.017 -8.034 1.00 1.34 H new ATOM 0 HD12 LEU A 41 9.596 0.963 -7.044 1.00 1.34 H new ATOM 0 HD13 LEU A 41 9.249 1.437 -8.724 1.00 1.34 H new ATOM 0 HD21 LEU A 41 9.359 -1.421 -9.865 1.00 4.31 H new ATOM 0 HD22 LEU A 41 10.154 -0.022 -10.625 1.00 4.31 H new ATOM 0 HD23 LEU A 41 11.104 -1.469 -10.212 1.00 4.31 H new ATOM 689 N ASP A 42 14.529 1.770 -8.219 1.00 34.42 N ATOM 690 CA ASP A 42 15.601 2.715 -8.513 1.00 34.40 C ATOM 691 C ASP A 42 16.920 1.985 -8.741 1.00 2.33 C ATOM 692 O ASP A 42 17.722 2.383 -9.586 1.00 71.45 O ATOM 693 CB ASP A 42 15.750 3.721 -7.371 1.00 23.22 C ATOM 694 CG ASP A 42 15.009 5.016 -7.640 1.00 5.41 C ATOM 695 OD1 ASP A 42 13.765 5.019 -7.537 1.00 54.44 O ATOM 696 OD2 ASP A 42 15.674 6.026 -7.954 1.00 43.22 O ATOM 0 H ASP A 42 13.979 2.001 -7.391 1.00 34.42 H new ATOM 0 HA ASP A 42 15.341 3.251 -9.426 1.00 34.40 H new ATOM 0 HB2 ASP A 42 15.376 3.277 -6.448 1.00 23.22 H new ATOM 0 HB3 ASP A 42 16.807 3.936 -7.216 1.00 23.22 H new ATOM 701 N ARG A 43 17.139 0.917 -7.981 1.00 43.21 N ATOM 702 CA ARG A 43 18.363 0.133 -8.099 1.00 42.44 C ATOM 703 C ARG A 43 18.426 -0.578 -9.448 1.00 33.21 C ATOM 704 O ARG A 43 19.283 -0.280 -10.279 1.00 63.41 O ATOM 705 CB ARG A 43 18.450 -0.891 -6.966 1.00 75.02 C ATOM 706 CG ARG A 43 19.852 -1.431 -6.739 1.00 34.14 C ATOM 707 CD ARG A 43 20.346 -1.126 -5.334 1.00 13.13 C ATOM 708 NE ARG A 43 20.798 0.256 -5.200 1.00 52.13 N ATOM 709 CZ ARG A 43 21.950 0.703 -5.689 1.00 2.33 C ATOM 710 NH1 ARG A 43 22.762 -0.120 -6.338 1.00 2.55 N ATOM 711 NH2 ARG A 43 22.292 1.976 -5.527 1.00 62.52 N ATOM 0 H ARG A 43 16.485 0.575 -7.277 1.00 43.21 H new ATOM 0 HA ARG A 43 19.210 0.816 -8.028 1.00 42.44 H new ATOM 0 HB2 ARG A 43 18.093 -0.431 -6.044 1.00 75.02 H new ATOM 0 HB3 ARG A 43 17.781 -1.723 -7.187 1.00 75.02 H new ATOM 0 HG2 ARG A 43 19.859 -2.509 -6.902 1.00 34.14 H new ATOM 0 HG3 ARG A 43 20.534 -0.994 -7.468 1.00 34.14 H new ATOM 0 HD2 ARG A 43 19.545 -1.316 -4.619 1.00 13.13 H new ATOM 0 HD3 ARG A 43 21.164 -1.801 -5.083 1.00 13.13 H new ATOM 0 HE ARG A 43 20.197 0.914 -4.704 1.00 52.13 H new ATOM 0 HH11 ARG A 43 22.503 -1.099 -6.463 1.00 2.55 H new ATOM 0 HH12 ARG A 43 23.646 0.226 -6.712 1.00 2.55 H new ATOM 0 HH21 ARG A 43 21.670 2.611 -5.027 1.00 62.52 H new ATOM 0 HH22 ARG A 43 23.176 2.318 -5.903 1.00 62.52 H new ATOM 725 N PHE A 44 17.511 -1.519 -9.657 1.00 2.23 N ATOM 726 CA PHE A 44 17.463 -2.275 -10.904 1.00 1.12 C ATOM 727 C PHE A 44 17.515 -1.339 -12.108 1.00 23.53 C ATOM 728 O PHE A 44 18.145 -1.646 -13.119 1.00 62.04 O ATOM 729 CB PHE A 44 16.193 -3.127 -10.960 1.00 13.33 C ATOM 730 CG PHE A 44 16.277 -4.382 -10.139 1.00 72.12 C ATOM 731 CD1 PHE A 44 17.361 -5.235 -10.262 1.00 62.02 C ATOM 732 CD2 PHE A 44 15.271 -4.709 -9.243 1.00 53.45 C ATOM 733 CE1 PHE A 44 17.441 -6.391 -9.510 1.00 12.34 C ATOM 734 CE2 PHE A 44 15.345 -5.863 -8.487 1.00 32.22 C ATOM 735 CZ PHE A 44 16.432 -6.705 -8.620 1.00 34.00 C ATOM 0 H PHE A 44 16.793 -1.776 -8.980 1.00 2.23 H new ATOM 0 HA PHE A 44 18.333 -2.931 -10.937 1.00 1.12 H new ATOM 0 HB2 PHE A 44 15.349 -2.531 -10.612 1.00 13.33 H new ATOM 0 HB3 PHE A 44 15.989 -3.394 -11.997 1.00 13.33 H new ATOM 0 HD1 PHE A 44 18.154 -4.993 -10.955 1.00 62.02 H new ATOM 0 HD2 PHE A 44 14.419 -4.054 -9.135 1.00 53.45 H new ATOM 0 HE1 PHE A 44 18.291 -7.048 -9.618 1.00 12.34 H new ATOM 0 HE2 PHE A 44 14.554 -6.106 -7.793 1.00 32.22 H new ATOM 0 HZ PHE A 44 16.493 -7.607 -8.029 1.00 34.00 H new ATOM 745 N GLY A 45 16.846 -0.196 -11.992 1.00 61.24 N ATOM 746 CA GLY A 45 16.827 0.766 -13.078 1.00 41.50 C ATOM 747 C GLY A 45 15.493 1.472 -13.205 1.00 33.25 C ATOM 748 O GLY A 45 15.415 2.579 -13.738 1.00 13.20 O ATOM 0 H GLY A 45 16.317 0.081 -11.165 1.00 61.24 H new ATOM 0 HA2 GLY A 45 17.612 1.505 -12.918 1.00 41.50 H new ATOM 0 HA3 GLY A 45 17.055 0.257 -14.014 1.00 41.50 H new ATOM 752 N LEU A 46 14.437 0.830 -12.716 1.00 54.15 N ATOM 753 CA LEU A 46 13.096 1.402 -12.779 1.00 44.51 C ATOM 754 C LEU A 46 12.953 2.562 -11.798 1.00 40.44 C ATOM 755 O LEU A 46 13.659 2.629 -10.793 1.00 42.22 O ATOM 756 CB LEU A 46 12.048 0.331 -12.475 1.00 21.44 C ATOM 757 CG LEU A 46 11.379 -0.317 -13.688 1.00 4.32 C ATOM 758 CD1 LEU A 46 11.011 -1.761 -13.386 1.00 22.44 C ATOM 759 CD2 LEU A 46 10.147 0.474 -14.102 1.00 41.43 C ATOM 0 H LEU A 46 14.484 -0.087 -12.272 1.00 54.15 H new ATOM 0 HA LEU A 46 12.936 1.781 -13.788 1.00 44.51 H new ATOM 0 HB2 LEU A 46 12.520 -0.453 -11.883 1.00 21.44 H new ATOM 0 HB3 LEU A 46 11.272 0.777 -11.852 1.00 21.44 H new ATOM 0 HG LEU A 46 12.087 -0.310 -14.517 1.00 4.32 H new ATOM 0 HD11 LEU A 46 10.536 -2.206 -14.260 1.00 22.44 H new ATOM 0 HD12 LEU A 46 11.912 -2.322 -13.138 1.00 22.44 H new ATOM 0 HD13 LEU A 46 10.321 -1.792 -12.543 1.00 22.44 H new ATOM 0 HD21 LEU A 46 9.683 -0.001 -14.967 1.00 41.43 H new ATOM 0 HD22 LEU A 46 9.436 0.498 -13.276 1.00 41.43 H new ATOM 0 HD23 LEU A 46 10.438 1.492 -14.360 1.00 41.43 H new ATOM 771 N ALA A 47 12.033 3.473 -12.098 1.00 11.15 N ATOM 772 CA ALA A 47 11.794 4.627 -11.241 1.00 41.43 C ATOM 773 C ALA A 47 10.480 4.486 -10.482 1.00 31.24 C ATOM 774 O ALA A 47 9.632 3.668 -10.839 1.00 73.23 O ATOM 775 CB ALA A 47 11.793 5.906 -12.067 1.00 45.11 C ATOM 0 H ALA A 47 11.441 3.434 -12.928 1.00 11.15 H new ATOM 0 HA ALA A 47 12.601 4.678 -10.510 1.00 41.43 H new ATOM 0 HB1 ALA A 47 11.613 6.760 -11.414 1.00 45.11 H new ATOM 0 HB2 ALA A 47 12.759 6.022 -12.559 1.00 45.11 H new ATOM 0 HB3 ALA A 47 11.006 5.852 -12.820 1.00 45.11 H new ATOM 781 N GLU A 48 10.318 5.286 -9.434 1.00 13.43 N ATOM 782 CA GLU A 48 9.105 5.247 -8.623 1.00 60.14 C ATOM 783 C GLU A 48 7.974 6.016 -9.299 1.00 44.33 C ATOM 784 O GLU A 48 6.872 6.119 -8.762 1.00 1.53 O ATOM 785 CB GLU A 48 9.375 5.829 -7.235 1.00 13.54 C ATOM 786 CG GLU A 48 9.714 7.310 -7.251 1.00 55.43 C ATOM 787 CD GLU A 48 10.155 7.824 -5.895 1.00 12.33 C ATOM 788 OE1 GLU A 48 9.710 7.258 -4.874 1.00 53.30 O ATOM 789 OE2 GLU A 48 10.944 8.791 -5.852 1.00 70.24 O ATOM 0 H GLU A 48 11.010 5.969 -9.126 1.00 13.43 H new ATOM 0 HA GLU A 48 8.801 4.206 -8.519 1.00 60.14 H new ATOM 0 HB2 GLU A 48 8.497 5.673 -6.608 1.00 13.54 H new ATOM 0 HB3 GLU A 48 10.197 5.282 -6.775 1.00 13.54 H new ATOM 0 HG2 GLU A 48 10.506 7.489 -7.978 1.00 55.43 H new ATOM 0 HG3 GLU A 48 8.843 7.874 -7.583 1.00 55.43 H new ATOM 796 N SER A 49 8.256 6.554 -10.481 1.00 65.55 N ATOM 797 CA SER A 49 7.264 7.317 -11.231 1.00 11.34 C ATOM 798 C SER A 49 6.034 6.466 -11.527 1.00 53.10 C ATOM 799 O SER A 49 4.972 6.987 -11.870 1.00 70.01 O ATOM 800 CB SER A 49 7.868 7.834 -12.537 1.00 43.24 C ATOM 801 OG SER A 49 7.996 6.791 -13.488 1.00 34.12 O ATOM 0 H SER A 49 9.163 6.476 -10.940 1.00 65.55 H new ATOM 0 HA SER A 49 6.957 8.166 -10.620 1.00 11.34 H new ATOM 0 HB2 SER A 49 7.239 8.626 -12.944 1.00 43.24 H new ATOM 0 HB3 SER A 49 8.846 8.273 -12.340 1.00 43.24 H new ATOM 0 HG SER A 49 8.383 7.148 -14.315 1.00 34.12 H new ATOM 807 N LEU A 50 6.185 5.153 -11.392 1.00 31.00 N ATOM 808 CA LEU A 50 5.086 4.226 -11.646 1.00 0.52 C ATOM 809 C LEU A 50 4.511 3.693 -10.337 1.00 42.23 C ATOM 810 O LEU A 50 3.832 2.666 -10.319 1.00 32.33 O ATOM 811 CB LEU A 50 5.563 3.065 -12.517 1.00 65.32 C ATOM 812 CG LEU A 50 6.258 3.447 -13.825 1.00 55.44 C ATOM 813 CD1 LEU A 50 6.686 2.202 -14.587 1.00 14.33 C ATOM 814 CD2 LEU A 50 5.344 4.311 -14.682 1.00 34.22 C ATOM 0 H LEU A 50 7.057 4.706 -11.108 1.00 31.00 H new ATOM 0 HA LEU A 50 4.300 4.767 -12.173 1.00 0.52 H new ATOM 0 HB2 LEU A 50 6.249 2.454 -11.930 1.00 65.32 H new ATOM 0 HB3 LEU A 50 4.703 2.439 -12.755 1.00 65.32 H new ATOM 0 HG LEU A 50 7.150 4.024 -13.584 1.00 55.44 H new ATOM 0 HD11 LEU A 50 7.178 2.494 -15.514 1.00 14.33 H new ATOM 0 HD12 LEU A 50 7.378 1.621 -13.976 1.00 14.33 H new ATOM 0 HD13 LEU A 50 5.809 1.597 -14.817 1.00 14.33 H new ATOM 0 HD21 LEU A 50 5.855 4.573 -15.608 1.00 34.22 H new ATOM 0 HD22 LEU A 50 4.433 3.759 -14.914 1.00 34.22 H new ATOM 0 HD23 LEU A 50 5.088 5.221 -14.139 1.00 34.22 H new ATOM 826 N LEU A 51 4.785 4.398 -9.246 1.00 12.45 N ATOM 827 CA LEU A 51 4.293 3.998 -7.932 1.00 62.51 C ATOM 828 C LEU A 51 3.166 4.916 -7.469 1.00 5.12 C ATOM 829 O LEU A 51 2.214 4.471 -6.830 1.00 34.30 O ATOM 830 CB LEU A 51 5.433 4.014 -6.912 1.00 20.24 C ATOM 831 CG LEU A 51 6.268 2.737 -6.818 1.00 23.43 C ATOM 832 CD1 LEU A 51 7.434 2.931 -5.861 1.00 2.34 C ATOM 833 CD2 LEU A 51 5.403 1.566 -6.376 1.00 34.53 C ATOM 0 H LEU A 51 5.346 5.250 -9.245 1.00 12.45 H new ATOM 0 HA LEU A 51 3.900 2.984 -8.012 1.00 62.51 H new ATOM 0 HB2 LEU A 51 6.099 4.842 -7.154 1.00 20.24 H new ATOM 0 HB3 LEU A 51 5.011 4.221 -5.929 1.00 20.24 H new ATOM 0 HG LEU A 51 6.669 2.514 -7.807 1.00 23.43 H new ATOM 0 HD11 LEU A 51 8.017 2.012 -5.807 1.00 2.34 H new ATOM 0 HD12 LEU A 51 8.068 3.742 -6.219 1.00 2.34 H new ATOM 0 HD13 LEU A 51 7.054 3.178 -4.870 1.00 2.34 H new ATOM 0 HD21 LEU A 51 6.014 0.665 -6.314 1.00 34.53 H new ATOM 0 HD22 LEU A 51 4.973 1.780 -5.398 1.00 34.53 H new ATOM 0 HD23 LEU A 51 4.602 1.412 -7.099 1.00 34.53 H new ATOM 845 N GLU A 52 3.284 6.199 -7.797 1.00 35.21 N ATOM 846 CA GLU A 52 2.273 7.179 -7.415 1.00 42.53 C ATOM 847 C GLU A 52 1.280 7.408 -8.551 1.00 44.21 C ATOM 848 O GLU A 52 0.630 8.451 -8.619 1.00 71.43 O ATOM 849 CB GLU A 52 2.937 8.502 -7.028 1.00 13.10 C ATOM 850 CG GLU A 52 3.729 9.140 -8.157 1.00 61.41 C ATOM 851 CD GLU A 52 3.387 10.604 -8.355 1.00 1.34 C ATOM 852 OE1 GLU A 52 2.187 10.945 -8.306 1.00 74.03 O ATOM 853 OE2 GLU A 52 4.321 11.410 -8.556 1.00 72.32 O ATOM 0 H GLU A 52 4.067 6.584 -8.325 1.00 35.21 H new ATOM 0 HA GLU A 52 1.729 6.787 -6.555 1.00 42.53 H new ATOM 0 HB2 GLU A 52 2.169 9.200 -6.695 1.00 13.10 H new ATOM 0 HB3 GLU A 52 3.601 8.331 -6.181 1.00 13.10 H new ATOM 0 HG2 GLU A 52 4.794 9.045 -7.947 1.00 61.41 H new ATOM 0 HG3 GLU A 52 3.537 8.597 -9.083 1.00 61.41 H new ATOM 860 N SER A 53 1.172 6.427 -9.440 1.00 34.31 N ATOM 861 CA SER A 53 0.261 6.522 -10.576 1.00 45.35 C ATOM 862 C SER A 53 -0.312 5.153 -10.929 1.00 60.10 C ATOM 863 O SER A 53 0.403 4.270 -11.402 1.00 23.22 O ATOM 864 CB SER A 53 0.985 7.112 -11.787 1.00 62.34 C ATOM 865 OG SER A 53 0.421 6.639 -12.998 1.00 41.15 O ATOM 0 H SER A 53 1.703 5.557 -9.397 1.00 34.31 H new ATOM 0 HA SER A 53 -0.562 7.180 -10.297 1.00 45.35 H new ATOM 0 HB2 SER A 53 0.926 8.200 -11.755 1.00 62.34 H new ATOM 0 HB3 SER A 53 2.042 6.848 -11.747 1.00 62.34 H new ATOM 0 HG SER A 53 0.900 7.032 -13.757 1.00 41.15 H new ATOM 871 N LYS A 54 -1.609 4.984 -10.696 1.00 32.42 N ATOM 872 CA LYS A 54 -2.283 3.724 -10.989 1.00 4.34 C ATOM 873 C LYS A 54 -2.067 3.319 -12.443 1.00 65.43 C ATOM 874 O LYS A 54 -1.996 2.131 -12.761 1.00 5.21 O ATOM 875 CB LYS A 54 -3.780 3.843 -10.698 1.00 41.11 C ATOM 876 CG LYS A 54 -4.536 4.666 -11.728 1.00 3.13 C ATOM 877 CD LYS A 54 -6.029 4.677 -11.444 1.00 52.24 C ATOM 878 CE LYS A 54 -6.418 5.847 -10.552 1.00 44.14 C ATOM 879 NZ LYS A 54 -6.778 7.053 -11.347 1.00 12.41 N ATOM 0 H LYS A 54 -2.215 5.705 -10.305 1.00 32.42 H new ATOM 0 HA LYS A 54 -1.856 2.953 -10.348 1.00 4.34 H new ATOM 0 HB2 LYS A 54 -4.214 2.844 -10.654 1.00 41.11 H new ATOM 0 HB3 LYS A 54 -3.916 4.293 -9.715 1.00 41.11 H new ATOM 0 HG2 LYS A 54 -4.157 5.688 -11.728 1.00 3.13 H new ATOM 0 HG3 LYS A 54 -4.357 4.259 -12.723 1.00 3.13 H new ATOM 0 HD2 LYS A 54 -6.579 4.736 -12.383 1.00 52.24 H new ATOM 0 HD3 LYS A 54 -6.316 3.741 -10.965 1.00 52.24 H new ATOM 0 HE2 LYS A 54 -7.262 5.560 -9.924 1.00 44.14 H new ATOM 0 HE3 LYS A 54 -5.590 6.086 -9.884 1.00 44.14 H new ATOM 0 HZ1 LYS A 54 -7.037 7.828 -10.704 1.00 12.41 H new ATOM 0 HZ2 LYS A 54 -5.965 7.342 -11.927 1.00 12.41 H new ATOM 0 HZ3 LYS A 54 -7.584 6.833 -11.966 1.00 12.41 H new ATOM 893 N GLU A 55 -1.961 4.311 -13.321 1.00 63.41 N ATOM 894 CA GLU A 55 -1.752 4.054 -14.742 1.00 15.33 C ATOM 895 C GLU A 55 -0.294 3.704 -15.022 1.00 33.20 C ATOM 896 O GLU A 55 0.018 3.049 -16.016 1.00 75.41 O ATOM 897 CB GLU A 55 -2.164 5.275 -15.568 1.00 63.12 C ATOM 898 CG GLU A 55 -3.506 5.114 -16.264 1.00 43.30 C ATOM 899 CD GLU A 55 -3.498 5.661 -17.678 1.00 32.22 C ATOM 900 OE1 GLU A 55 -2.616 6.488 -17.990 1.00 60.25 O ATOM 901 OE2 GLU A 55 -4.375 5.261 -18.472 1.00 41.33 O ATOM 0 H GLU A 55 -2.016 5.299 -13.074 1.00 63.41 H new ATOM 0 HA GLU A 55 -2.372 3.205 -15.028 1.00 15.33 H new ATOM 0 HB2 GLU A 55 -2.205 6.147 -14.916 1.00 63.12 H new ATOM 0 HB3 GLU A 55 -1.397 5.472 -16.317 1.00 63.12 H new ATOM 0 HG2 GLU A 55 -3.774 4.058 -16.288 1.00 43.30 H new ATOM 0 HG3 GLU A 55 -4.275 5.625 -15.685 1.00 43.30 H new ATOM 908 N GLY A 56 0.596 4.148 -14.139 1.00 22.45 N ATOM 909 CA GLY A 56 2.010 3.872 -14.310 1.00 21.53 C ATOM 910 C GLY A 56 2.394 2.488 -13.826 1.00 11.00 C ATOM 911 O GLY A 56 3.227 1.817 -14.438 1.00 15.53 O ATOM 0 H GLY A 56 0.363 4.693 -13.309 1.00 22.45 H new ATOM 0 HA2 GLY A 56 2.271 3.970 -15.364 1.00 21.53 H new ATOM 0 HA3 GLY A 56 2.591 4.617 -13.767 1.00 21.53 H new ATOM 915 N CYS A 57 1.789 2.059 -12.724 1.00 32.10 N ATOM 916 CA CYS A 57 2.073 0.746 -12.156 1.00 3.11 C ATOM 917 C CYS A 57 1.834 -0.355 -13.185 1.00 4.41 C ATOM 918 O CYS A 57 2.425 -1.431 -13.104 1.00 63.13 O ATOM 919 CB CYS A 57 1.206 0.502 -10.920 1.00 53.12 C ATOM 920 SG CYS A 57 2.147 0.237 -9.399 1.00 12.12 S ATOM 0 H CYS A 57 1.098 2.602 -12.206 1.00 32.10 H new ATOM 0 HA CYS A 57 3.123 0.724 -11.864 1.00 3.11 H new ATOM 0 HB2 CYS A 57 0.543 1.356 -10.780 1.00 53.12 H new ATOM 0 HB3 CYS A 57 0.573 -0.367 -11.099 1.00 53.12 H new ATOM 0 HG CYS A 57 3.082 1.135 -9.305 1.00 12.12 H new ATOM 926 N GLN A 58 0.963 -0.077 -14.149 1.00 54.12 N ATOM 927 CA GLN A 58 0.644 -1.045 -15.192 1.00 73.34 C ATOM 928 C GLN A 58 1.815 -1.216 -16.153 1.00 41.43 C ATOM 929 O GLN A 58 1.908 -2.216 -16.865 1.00 5.32 O ATOM 930 CB GLN A 58 -0.603 -0.605 -15.961 1.00 61.15 C ATOM 931 CG GLN A 58 -1.835 -1.440 -15.652 1.00 3.52 C ATOM 932 CD GLN A 58 -2.576 -1.872 -16.901 1.00 53.24 C ATOM 933 OE1 GLN A 58 -3.314 -1.089 -17.503 1.00 21.43 O ATOM 934 NE2 GLN A 58 -2.383 -3.123 -17.301 1.00 72.52 N ATOM 0 H GLN A 58 0.466 0.810 -14.230 1.00 54.12 H new ATOM 0 HA GLN A 58 0.448 -2.005 -14.714 1.00 73.34 H new ATOM 0 HB2 GLN A 58 -0.814 0.439 -15.728 1.00 61.15 H new ATOM 0 HB3 GLN A 58 -0.398 -0.658 -17.030 1.00 61.15 H new ATOM 0 HG2 GLN A 58 -1.538 -2.323 -15.087 1.00 3.52 H new ATOM 0 HG3 GLN A 58 -2.508 -0.866 -15.015 1.00 3.52 H new ATOM 0 HE21 GLN A 58 -1.763 -3.737 -16.773 1.00 72.52 H new ATOM 0 HE22 GLN A 58 -2.854 -3.470 -18.137 1.00 72.52 H new ATOM 943 N LYS A 59 2.709 -0.232 -16.169 1.00 72.34 N ATOM 944 CA LYS A 59 3.876 -0.272 -17.042 1.00 24.11 C ATOM 945 C LYS A 59 4.979 -1.135 -16.437 1.00 34.10 C ATOM 946 O LYS A 59 5.935 -1.504 -17.118 1.00 45.42 O ATOM 947 CB LYS A 59 4.401 1.143 -17.292 1.00 41.23 C ATOM 948 CG LYS A 59 4.283 1.589 -18.739 1.00 51.22 C ATOM 949 CD LYS A 59 4.298 3.104 -18.858 1.00 52.21 C ATOM 950 CE LYS A 59 5.680 3.621 -19.230 1.00 15.14 C ATOM 951 NZ LYS A 59 6.557 3.766 -18.036 1.00 34.12 N ATOM 0 H LYS A 59 2.647 0.603 -15.587 1.00 72.34 H new ATOM 0 HA LYS A 59 3.573 -0.713 -17.991 1.00 24.11 H new ATOM 0 HB2 LYS A 59 3.853 1.842 -16.660 1.00 41.23 H new ATOM 0 HB3 LYS A 59 5.447 1.192 -16.990 1.00 41.23 H new ATOM 0 HG2 LYS A 59 5.105 1.169 -19.318 1.00 51.22 H new ATOM 0 HG3 LYS A 59 3.360 1.199 -19.167 1.00 51.22 H new ATOM 0 HD2 LYS A 59 3.576 3.418 -19.612 1.00 52.21 H new ATOM 0 HD3 LYS A 59 3.985 3.547 -17.913 1.00 52.21 H new ATOM 0 HE2 LYS A 59 6.144 2.938 -19.941 1.00 15.14 H new ATOM 0 HE3 LYS A 59 5.585 4.585 -19.730 1.00 15.14 H new ATOM 0 HZ1 LYS A 59 7.516 3.437 -18.268 1.00 34.12 H new ATOM 0 HZ2 LYS A 59 6.593 4.766 -17.751 1.00 34.12 H new ATOM 0 HZ3 LYS A 59 6.175 3.197 -17.254 1.00 34.12 H new ATOM 965 N ILE A 60 4.838 -1.454 -15.155 1.00 12.11 N ATOM 966 CA ILE A 60 5.821 -2.276 -14.460 1.00 33.12 C ATOM 967 C ILE A 60 5.507 -3.760 -14.618 1.00 3.03 C ATOM 968 O ILE A 60 6.357 -4.543 -15.044 1.00 72.34 O ATOM 969 CB ILE A 60 5.881 -1.933 -12.959 1.00 60.11 C ATOM 970 CG1 ILE A 60 6.032 -0.422 -12.765 1.00 72.34 C ATOM 971 CG2 ILE A 60 7.029 -2.675 -12.292 1.00 61.22 C ATOM 972 CD1 ILE A 60 5.974 0.009 -11.316 1.00 50.45 C ATOM 0 H ILE A 60 4.053 -1.156 -14.576 1.00 12.11 H new ATOM 0 HA ILE A 60 6.789 -2.061 -14.913 1.00 33.12 H new ATOM 0 HB ILE A 60 4.949 -2.250 -12.491 1.00 60.11 H new ATOM 0 HG12 ILE A 60 6.982 -0.102 -13.193 1.00 72.34 H new ATOM 0 HG13 ILE A 60 5.244 0.088 -13.319 1.00 72.34 H new ATOM 0 HG21 ILE A 60 7.058 -2.422 -11.232 1.00 61.22 H new ATOM 0 HG22 ILE A 60 6.883 -3.749 -12.405 1.00 61.22 H new ATOM 0 HG23 ILE A 60 7.970 -2.386 -12.760 1.00 61.22 H new ATOM 0 HD11 ILE A 60 6.088 1.091 -11.253 1.00 50.45 H new ATOM 0 HD12 ILE A 60 5.014 -0.280 -10.889 1.00 50.45 H new ATOM 0 HD13 ILE A 60 6.779 -0.473 -10.761 1.00 50.45 H new ATOM 984 N LEU A 61 4.282 -4.140 -14.273 1.00 20.11 N ATOM 985 CA LEU A 61 3.854 -5.531 -14.379 1.00 53.41 C ATOM 986 C LEU A 61 4.034 -6.049 -15.802 1.00 44.10 C ATOM 987 O LEU A 61 4.276 -7.238 -16.015 1.00 74.31 O ATOM 988 CB LEU A 61 2.390 -5.668 -13.955 1.00 43.03 C ATOM 989 CG LEU A 61 2.076 -5.310 -12.503 1.00 34.05 C ATOM 990 CD1 LEU A 61 0.632 -5.654 -12.169 1.00 41.35 C ATOM 991 CD2 LEU A 61 3.028 -6.027 -11.558 1.00 4.23 C ATOM 0 H LEU A 61 3.567 -3.505 -13.917 1.00 20.11 H new ATOM 0 HA LEU A 61 4.476 -6.129 -13.713 1.00 53.41 H new ATOM 0 HB2 LEU A 61 1.784 -5.035 -14.603 1.00 43.03 H new ATOM 0 HB3 LEU A 61 2.077 -6.697 -14.130 1.00 43.03 H new ATOM 0 HG LEU A 61 2.212 -4.236 -12.377 1.00 34.05 H new ATOM 0 HD11 LEU A 61 0.426 -5.392 -11.131 1.00 41.35 H new ATOM 0 HD12 LEU A 61 -0.036 -5.094 -12.824 1.00 41.35 H new ATOM 0 HD13 LEU A 61 0.470 -6.722 -12.313 1.00 41.35 H new ATOM 0 HD21 LEU A 61 2.789 -5.760 -10.529 1.00 4.23 H new ATOM 0 HD22 LEU A 61 2.925 -7.105 -11.686 1.00 4.23 H new ATOM 0 HD23 LEU A 61 4.053 -5.731 -11.781 1.00 4.23 H new ATOM 1003 N THR A 62 3.919 -5.150 -16.773 1.00 42.42 N ATOM 1004 CA THR A 62 4.070 -5.516 -18.176 1.00 3.21 C ATOM 1005 C THR A 62 5.508 -5.915 -18.488 1.00 4.43 C ATOM 1006 O THR A 62 5.767 -6.649 -19.442 1.00 33.22 O ATOM 1007 CB THR A 62 3.657 -4.359 -19.106 1.00 25.45 C ATOM 1008 OG1 THR A 62 3.331 -4.868 -20.405 1.00 0.35 O ATOM 1009 CG2 THR A 62 4.774 -3.333 -19.223 1.00 43.14 C ATOM 0 H THR A 62 3.722 -4.162 -16.614 1.00 42.42 H new ATOM 0 HA THR A 62 3.413 -6.367 -18.353 1.00 3.21 H new ATOM 0 HB THR A 62 2.782 -3.871 -18.677 1.00 25.45 H new ATOM 0 HG1 THR A 62 3.068 -4.127 -20.990 1.00 0.35 H new ATOM 0 HG21 THR A 62 4.459 -2.526 -19.885 1.00 43.14 H new ATOM 0 HG22 THR A 62 5.000 -2.927 -18.237 1.00 43.14 H new ATOM 0 HG23 THR A 62 5.665 -3.810 -19.631 1.00 43.14 H new ATOM 1017 N VAL A 63 6.442 -5.426 -17.677 1.00 51.24 N ATOM 1018 CA VAL A 63 7.855 -5.733 -17.867 1.00 22.15 C ATOM 1019 C VAL A 63 8.270 -6.941 -17.034 1.00 65.45 C ATOM 1020 O VAL A 63 8.988 -7.821 -17.512 1.00 73.15 O ATOM 1021 CB VAL A 63 8.745 -4.535 -17.491 1.00 51.44 C ATOM 1022 CG1 VAL A 63 10.215 -4.886 -17.660 1.00 30.41 C ATOM 1023 CG2 VAL A 63 8.380 -3.318 -18.328 1.00 10.43 C ATOM 0 H VAL A 63 6.246 -4.816 -16.883 1.00 51.24 H new ATOM 0 HA VAL A 63 7.991 -5.959 -18.925 1.00 22.15 H new ATOM 0 HB VAL A 63 8.573 -4.293 -16.442 1.00 51.44 H new ATOM 0 HG11 VAL A 63 10.828 -4.026 -17.389 1.00 30.41 H new ATOM 0 HG12 VAL A 63 10.465 -5.728 -17.014 1.00 30.41 H new ATOM 0 HG13 VAL A 63 10.408 -5.156 -18.698 1.00 30.41 H new ATOM 0 HG21 VAL A 63 9.019 -2.480 -18.049 1.00 10.43 H new ATOM 0 HG22 VAL A 63 8.522 -3.547 -19.384 1.00 10.43 H new ATOM 0 HG23 VAL A 63 7.337 -3.054 -18.151 1.00 10.43 H new ATOM 1033 N LEU A 64 7.815 -6.979 -15.787 1.00 52.42 N ATOM 1034 CA LEU A 64 8.138 -8.080 -14.887 1.00 1.32 C ATOM 1035 C LEU A 64 7.378 -9.343 -15.276 1.00 71.24 C ATOM 1036 O LEU A 64 7.774 -10.453 -14.919 1.00 73.14 O ATOM 1037 CB LEU A 64 7.809 -7.697 -13.443 1.00 3.20 C ATOM 1038 CG LEU A 64 8.504 -6.446 -12.904 1.00 44.03 C ATOM 1039 CD1 LEU A 64 7.738 -5.877 -11.721 1.00 13.25 C ATOM 1040 CD2 LEU A 64 9.940 -6.762 -12.511 1.00 24.25 C ATOM 0 H LEU A 64 7.221 -6.259 -15.376 1.00 52.42 H new ATOM 0 HA LEU A 64 9.206 -8.282 -14.969 1.00 1.32 H new ATOM 0 HB2 LEU A 64 6.732 -7.552 -13.363 1.00 3.20 H new ATOM 0 HB3 LEU A 64 8.066 -8.537 -12.798 1.00 3.20 H new ATOM 0 HG LEU A 64 8.521 -5.695 -13.693 1.00 44.03 H new ATOM 0 HD11 LEU A 64 8.248 -4.987 -11.351 1.00 13.25 H new ATOM 0 HD12 LEU A 64 6.728 -5.612 -12.035 1.00 13.25 H new ATOM 0 HD13 LEU A 64 7.688 -6.623 -10.927 1.00 13.25 H new ATOM 0 HD21 LEU A 64 10.420 -5.861 -12.130 1.00 24.25 H new ATOM 0 HD22 LEU A 64 9.945 -7.530 -11.738 1.00 24.25 H new ATOM 0 HD23 LEU A 64 10.485 -7.122 -13.384 1.00 24.25 H new ATOM 1052 N ASP A 65 6.286 -9.167 -16.013 1.00 3.03 N ATOM 1053 CA ASP A 65 5.472 -10.293 -16.454 1.00 11.44 C ATOM 1054 C ASP A 65 6.323 -11.327 -17.182 1.00 25.42 C ATOM 1055 O ASP A 65 6.452 -12.475 -16.754 1.00 74.24 O ATOM 1056 CB ASP A 65 4.345 -9.808 -17.367 1.00 33.21 C ATOM 1057 CG ASP A 65 2.987 -9.869 -16.694 1.00 62.23 C ATOM 1058 OD1 ASP A 65 2.599 -10.967 -16.242 1.00 72.33 O ATOM 1059 OD2 ASP A 65 2.314 -8.820 -16.619 1.00 62.20 O ATOM 0 H ASP A 65 5.945 -8.255 -16.317 1.00 3.03 H new ATOM 0 HA ASP A 65 5.038 -10.763 -15.572 1.00 11.44 H new ATOM 0 HB2 ASP A 65 4.548 -8.783 -17.677 1.00 33.21 H new ATOM 0 HB3 ASP A 65 4.327 -10.416 -18.271 1.00 33.21 H new ATOM 1064 N PRO A 66 6.921 -10.914 -18.310 1.00 62.25 N ATOM 1065 CA PRO A 66 7.771 -11.790 -19.123 1.00 14.25 C ATOM 1066 C PRO A 66 9.088 -12.123 -18.431 1.00 1.23 C ATOM 1067 O PRO A 66 9.898 -12.889 -18.954 1.00 11.41 O ATOM 1068 CB PRO A 66 8.023 -10.965 -20.387 1.00 25.12 C ATOM 1069 CG PRO A 66 7.864 -9.549 -19.953 1.00 44.44 C ATOM 1070 CD PRO A 66 6.813 -9.560 -18.879 1.00 20.12 C ATOM 0 HA PRO A 66 7.300 -12.754 -19.314 1.00 14.25 H new ATOM 0 HB2 PRO A 66 9.021 -11.147 -20.786 1.00 25.12 H new ATOM 0 HB3 PRO A 66 7.313 -11.220 -21.174 1.00 25.12 H new ATOM 0 HG2 PRO A 66 8.805 -9.149 -19.574 1.00 44.44 H new ATOM 0 HG3 PRO A 66 7.562 -8.917 -20.788 1.00 44.44 H new ATOM 0 HD2 PRO A 66 6.998 -8.792 -18.128 1.00 20.12 H new ATOM 0 HD3 PRO A 66 5.820 -9.374 -19.287 1.00 20.12 H new ATOM 1078 N MET A 67 9.295 -11.544 -17.252 1.00 45.35 N ATOM 1079 CA MET A 67 10.516 -11.781 -16.489 1.00 32.42 C ATOM 1080 C MET A 67 10.235 -12.668 -15.280 1.00 42.21 C ATOM 1081 O MET A 67 11.159 -13.141 -14.618 1.00 23.12 O ATOM 1082 CB MET A 67 11.124 -10.454 -16.034 1.00 33.14 C ATOM 1083 CG MET A 67 12.312 -10.010 -16.872 1.00 31.21 C ATOM 1084 SD MET A 67 13.727 -11.117 -16.712 1.00 53.45 S ATOM 1085 CE MET A 67 14.604 -10.765 -18.234 1.00 71.51 C ATOM 0 H MET A 67 8.634 -10.908 -16.805 1.00 45.35 H new ATOM 0 HA MET A 67 11.228 -12.293 -17.136 1.00 32.42 H new ATOM 0 HB2 MET A 67 10.356 -9.681 -16.069 1.00 33.14 H new ATOM 0 HB3 MET A 67 11.437 -10.545 -14.994 1.00 33.14 H new ATOM 0 HG2 MET A 67 12.014 -9.957 -17.919 1.00 31.21 H new ATOM 0 HG3 MET A 67 12.607 -9.004 -16.573 1.00 31.21 H new ATOM 0 HE1 MET A 67 15.507 -11.374 -18.283 1.00 71.51 H new ATOM 0 HE2 MET A 67 13.963 -10.996 -19.085 1.00 71.51 H new ATOM 0 HE3 MET A 67 14.877 -9.710 -18.261 1.00 71.51 H new ATOM 1095 N VAL A 68 8.956 -12.889 -14.997 1.00 51.41 N ATOM 1096 CA VAL A 68 8.554 -13.719 -13.867 1.00 63.32 C ATOM 1097 C VAL A 68 9.229 -15.085 -13.923 1.00 42.15 C ATOM 1098 O VAL A 68 9.938 -15.493 -13.003 1.00 73.01 O ATOM 1099 CB VAL A 68 7.027 -13.914 -13.828 1.00 73.04 C ATOM 1100 CG1 VAL A 68 6.676 -15.260 -13.213 1.00 10.54 C ATOM 1101 CG2 VAL A 68 6.365 -12.778 -13.063 1.00 32.35 C ATOM 0 H VAL A 68 8.179 -12.505 -15.535 1.00 51.41 H new ATOM 0 HA VAL A 68 8.868 -13.197 -12.963 1.00 63.32 H new ATOM 0 HB VAL A 68 6.649 -13.901 -14.850 1.00 73.04 H new ATOM 0 HG11 VAL A 68 5.593 -15.380 -13.194 1.00 10.54 H new ATOM 0 HG12 VAL A 68 7.119 -16.059 -13.808 1.00 10.54 H new ATOM 0 HG13 VAL A 68 7.064 -15.308 -12.196 1.00 10.54 H new ATOM 0 HG21 VAL A 68 5.286 -12.932 -13.045 1.00 32.35 H new ATOM 0 HG22 VAL A 68 6.745 -12.757 -12.042 1.00 32.35 H new ATOM 0 HG23 VAL A 68 6.589 -11.830 -13.553 1.00 32.35 H new ATOM 1111 N PRO A 69 9.005 -15.811 -15.028 1.00 74.53 N ATOM 1112 CA PRO A 69 9.583 -17.143 -15.231 1.00 11.01 C ATOM 1113 C PRO A 69 11.091 -17.093 -15.451 1.00 41.44 C ATOM 1114 O PRO A 69 11.843 -17.861 -14.851 1.00 71.21 O ATOM 1115 CB PRO A 69 8.875 -17.649 -16.490 1.00 40.54 C ATOM 1116 CG PRO A 69 8.474 -16.414 -17.222 1.00 42.10 C ATOM 1117 CD PRO A 69 8.171 -15.388 -16.165 1.00 34.33 C ATOM 0 HA PRO A 69 9.444 -17.785 -14.361 1.00 11.01 H new ATOM 0 HB2 PRO A 69 9.537 -18.270 -17.094 1.00 40.54 H new ATOM 0 HB3 PRO A 69 8.008 -18.259 -16.238 1.00 40.54 H new ATOM 0 HG2 PRO A 69 9.274 -16.073 -17.880 1.00 42.10 H new ATOM 0 HG3 PRO A 69 7.602 -16.598 -17.849 1.00 42.10 H new ATOM 0 HD2 PRO A 69 8.426 -14.382 -16.497 1.00 34.33 H new ATOM 0 HD3 PRO A 69 7.112 -15.379 -15.905 1.00 34.33 H new ATOM 1125 N THR A 70 11.528 -16.184 -16.317 1.00 42.33 N ATOM 1126 CA THR A 70 12.946 -16.034 -16.617 1.00 42.25 C ATOM 1127 C THR A 70 13.627 -15.111 -15.612 1.00 23.34 C ATOM 1128 O THR A 70 14.617 -14.455 -15.928 1.00 24.13 O ATOM 1129 CB THR A 70 13.164 -15.476 -18.036 1.00 62.31 C ATOM 1130 OG1 THR A 70 12.212 -16.050 -18.940 1.00 13.52 O ATOM 1131 CG2 THR A 70 14.575 -15.774 -18.524 1.00 41.50 C ATOM 0 H THR A 70 10.920 -15.540 -16.823 1.00 42.33 H new ATOM 0 HA THR A 70 13.389 -17.028 -16.552 1.00 42.25 H new ATOM 0 HB THR A 70 13.028 -14.395 -18.002 1.00 62.31 H new ATOM 0 HG1 THR A 70 12.356 -15.689 -19.840 1.00 13.52 H new ATOM 0 HG21 THR A 70 14.706 -15.370 -19.528 1.00 41.50 H new ATOM 0 HG22 THR A 70 15.298 -15.313 -17.851 1.00 41.50 H new ATOM 0 HG23 THR A 70 14.733 -16.852 -18.543 1.00 41.50 H new ATOM 1139 N GLY A 71 13.088 -15.068 -14.397 1.00 32.41 N ATOM 1140 CA GLY A 71 13.657 -14.224 -13.362 1.00 44.12 C ATOM 1141 C GLY A 71 13.939 -14.985 -12.082 1.00 61.14 C ATOM 1142 O GLY A 71 13.785 -16.205 -12.031 1.00 14.12 O ATOM 0 H GLY A 71 12.268 -15.602 -14.111 1.00 32.41 H new ATOM 0 HA2 GLY A 71 14.583 -13.780 -13.728 1.00 44.12 H new ATOM 0 HA3 GLY A 71 12.972 -13.403 -13.149 1.00 44.12 H new ATOM 1146 N SER A 72 14.355 -14.264 -11.046 1.00 40.52 N ATOM 1147 CA SER A 72 14.665 -14.880 -9.761 1.00 54.12 C ATOM 1148 C SER A 72 13.725 -14.368 -8.673 1.00 65.11 C ATOM 1149 O SER A 72 12.767 -13.649 -8.954 1.00 31.12 O ATOM 1150 CB SER A 72 16.116 -14.595 -9.372 1.00 0.52 C ATOM 1151 OG SER A 72 16.202 -13.484 -8.497 1.00 50.05 O ATOM 0 H SER A 72 14.485 -13.253 -11.071 1.00 40.52 H new ATOM 0 HA SER A 72 14.528 -15.957 -9.859 1.00 54.12 H new ATOM 0 HB2 SER A 72 16.546 -15.474 -8.892 1.00 0.52 H new ATOM 0 HB3 SER A 72 16.705 -14.402 -10.269 1.00 0.52 H new ATOM 0 HG SER A 72 15.906 -12.675 -8.965 1.00 50.05 H new ATOM 1157 N GLU A 73 14.008 -14.745 -7.431 1.00 24.54 N ATOM 1158 CA GLU A 73 13.188 -14.326 -6.300 1.00 71.42 C ATOM 1159 C GLU A 73 13.176 -12.806 -6.172 1.00 32.44 C ATOM 1160 O GLU A 73 12.127 -12.199 -5.956 1.00 60.21 O ATOM 1161 CB GLU A 73 13.706 -14.955 -5.005 1.00 10.14 C ATOM 1162 CG GLU A 73 13.135 -16.335 -4.726 1.00 41.35 C ATOM 1163 CD GLU A 73 14.039 -17.449 -5.215 1.00 24.51 C ATOM 1164 OE1 GLU A 73 14.717 -17.256 -6.246 1.00 42.32 O ATOM 1165 OE2 GLU A 73 14.068 -18.516 -4.566 1.00 2.25 O ATOM 0 H GLU A 73 14.798 -15.340 -7.182 1.00 24.54 H new ATOM 0 HA GLU A 73 12.168 -14.667 -6.477 1.00 71.42 H new ATOM 0 HB2 GLU A 73 14.793 -15.024 -5.054 1.00 10.14 H new ATOM 0 HB3 GLU A 73 13.466 -14.297 -4.170 1.00 10.14 H new ATOM 0 HG2 GLU A 73 12.973 -16.447 -3.654 1.00 41.35 H new ATOM 0 HG3 GLU A 73 12.161 -16.425 -5.207 1.00 41.35 H new ATOM 1172 N ASN A 74 14.349 -12.198 -6.305 1.00 52.53 N ATOM 1173 CA ASN A 74 14.475 -10.747 -6.202 1.00 32.20 C ATOM 1174 C ASN A 74 13.627 -10.052 -7.263 1.00 32.41 C ATOM 1175 O ASN A 74 13.313 -8.867 -7.144 1.00 64.11 O ATOM 1176 CB ASN A 74 15.939 -10.329 -6.349 1.00 23.33 C ATOM 1177 CG ASN A 74 16.567 -10.859 -7.624 1.00 22.22 C ATOM 1178 OD1 ASN A 74 15.992 -10.742 -8.707 1.00 3.33 O ATOM 1179 ND2 ASN A 74 17.752 -11.446 -7.500 1.00 31.41 N ATOM 0 H ASN A 74 15.227 -12.686 -6.484 1.00 52.53 H new ATOM 0 HA ASN A 74 14.116 -10.445 -5.218 1.00 32.20 H new ATOM 0 HB2 ASN A 74 16.006 -9.241 -6.339 1.00 23.33 H new ATOM 0 HB3 ASN A 74 16.505 -10.691 -5.491 1.00 23.33 H new ATOM 0 HD21 ASN A 74 18.223 -11.822 -8.323 1.00 31.41 H new ATOM 0 HD22 ASN A 74 18.191 -11.520 -6.582 1.00 31.41 H new ATOM 1186 N LEU A 75 13.259 -10.797 -8.300 1.00 42.31 N ATOM 1187 CA LEU A 75 12.447 -10.253 -9.383 1.00 51.11 C ATOM 1188 C LEU A 75 10.971 -10.567 -9.167 1.00 13.35 C ATOM 1189 O LEU A 75 10.106 -9.715 -9.376 1.00 12.54 O ATOM 1190 CB LEU A 75 12.909 -10.818 -10.728 1.00 2.43 C ATOM 1191 CG LEU A 75 12.195 -10.275 -11.965 1.00 13.21 C ATOM 1192 CD1 LEU A 75 13.172 -10.124 -13.122 1.00 33.51 C ATOM 1193 CD2 LEU A 75 11.038 -11.182 -12.355 1.00 64.53 C ATOM 0 H LEU A 75 13.510 -11.779 -8.414 1.00 42.31 H new ATOM 0 HA LEU A 75 12.572 -9.170 -9.389 1.00 51.11 H new ATOM 0 HB2 LEU A 75 13.976 -10.623 -10.834 1.00 2.43 H new ATOM 0 HB3 LEU A 75 12.784 -11.901 -10.707 1.00 2.43 H new ATOM 0 HG LEU A 75 11.793 -9.291 -11.726 1.00 13.21 H new ATOM 0 HD11 LEU A 75 12.646 -9.736 -13.994 1.00 33.51 H new ATOM 0 HD12 LEU A 75 13.966 -9.432 -12.840 1.00 33.51 H new ATOM 0 HD13 LEU A 75 13.605 -11.095 -13.362 1.00 33.51 H new ATOM 0 HD21 LEU A 75 10.542 -10.779 -13.238 1.00 64.53 H new ATOM 0 HD22 LEU A 75 11.416 -12.180 -12.575 1.00 64.53 H new ATOM 0 HD23 LEU A 75 10.326 -11.237 -11.532 1.00 64.53 H new ATOM 1205 N LYS A 76 10.688 -11.795 -8.745 1.00 54.22 N ATOM 1206 CA LYS A 76 9.315 -12.221 -8.496 1.00 22.01 C ATOM 1207 C LYS A 76 8.701 -11.434 -7.342 1.00 64.33 C ATOM 1208 O LYS A 76 7.508 -11.132 -7.350 1.00 63.13 O ATOM 1209 CB LYS A 76 9.274 -13.719 -8.185 1.00 1.22 C ATOM 1210 CG LYS A 76 8.187 -14.467 -8.936 1.00 63.24 C ATOM 1211 CD LYS A 76 8.185 -15.946 -8.589 1.00 21.30 C ATOM 1212 CE LYS A 76 9.481 -16.620 -9.015 1.00 52.22 C ATOM 1213 NZ LYS A 76 10.486 -16.637 -7.916 1.00 54.02 N ATOM 0 H LYS A 76 11.391 -12.513 -8.568 1.00 54.22 H new ATOM 0 HA LYS A 76 8.731 -12.026 -9.396 1.00 22.01 H new ATOM 0 HB2 LYS A 76 10.241 -14.159 -8.429 1.00 1.22 H new ATOM 0 HB3 LYS A 76 9.123 -13.855 -7.114 1.00 1.22 H new ATOM 0 HG2 LYS A 76 7.215 -14.035 -8.697 1.00 63.24 H new ATOM 0 HG3 LYS A 76 8.335 -14.344 -10.009 1.00 63.24 H new ATOM 0 HD2 LYS A 76 8.046 -16.069 -7.515 1.00 21.30 H new ATOM 0 HD3 LYS A 76 7.342 -16.434 -9.078 1.00 21.30 H new ATOM 0 HE2 LYS A 76 9.272 -17.642 -9.331 1.00 52.22 H new ATOM 0 HE3 LYS A 76 9.895 -16.098 -9.878 1.00 52.22 H new ATOM 0 HZ1 LYS A 76 11.395 -16.277 -8.271 1.00 54.02 H new ATOM 0 HZ2 LYS A 76 10.156 -16.035 -7.135 1.00 54.02 H new ATOM 0 HZ3 LYS A 76 10.609 -17.611 -7.573 1.00 54.02 H new ATOM 1227 N SER A 77 9.525 -11.104 -6.353 1.00 44.34 N ATOM 1228 CA SER A 77 9.062 -10.354 -5.192 1.00 5.42 C ATOM 1229 C SER A 77 8.440 -9.026 -5.614 1.00 61.23 C ATOM 1230 O SER A 77 7.300 -8.721 -5.261 1.00 63.45 O ATOM 1231 CB SER A 77 10.221 -10.101 -4.226 1.00 24.23 C ATOM 1232 OG SER A 77 10.625 -11.301 -3.588 1.00 51.23 O ATOM 0 H SER A 77 10.516 -11.344 -6.333 1.00 44.34 H new ATOM 0 HA SER A 77 8.300 -10.949 -4.688 1.00 5.42 H new ATOM 0 HB2 SER A 77 11.064 -9.672 -4.769 1.00 24.23 H new ATOM 0 HB3 SER A 77 9.920 -9.370 -3.476 1.00 24.23 H new ATOM 0 HG SER A 77 10.381 -11.265 -2.639 1.00 51.23 H new ATOM 1238 N LEU A 78 9.197 -8.241 -6.373 1.00 74.51 N ATOM 1239 CA LEU A 78 8.720 -6.945 -6.846 1.00 42.13 C ATOM 1240 C LEU A 78 7.444 -7.101 -7.666 1.00 0.52 C ATOM 1241 O LEU A 78 6.557 -6.247 -7.620 1.00 61.34 O ATOM 1242 CB LEU A 78 9.800 -6.259 -7.686 1.00 33.24 C ATOM 1243 CG LEU A 78 9.365 -5.002 -8.439 1.00 53.40 C ATOM 1244 CD1 LEU A 78 9.136 -3.852 -7.471 1.00 5.42 C ATOM 1245 CD2 LEU A 78 10.402 -4.621 -9.486 1.00 23.41 C ATOM 0 H LEU A 78 10.142 -8.478 -6.674 1.00 74.51 H new ATOM 0 HA LEU A 78 8.497 -6.327 -5.976 1.00 42.13 H new ATOM 0 HB2 LEU A 78 10.630 -5.997 -7.030 1.00 33.24 H new ATOM 0 HB3 LEU A 78 10.181 -6.979 -8.410 1.00 33.24 H new ATOM 0 HG LEU A 78 8.425 -5.214 -8.948 1.00 53.40 H new ATOM 0 HD11 LEU A 78 8.827 -2.966 -8.025 1.00 5.42 H new ATOM 0 HD12 LEU A 78 8.357 -4.125 -6.759 1.00 5.42 H new ATOM 0 HD13 LEU A 78 10.060 -3.640 -6.933 1.00 5.42 H new ATOM 0 HD21 LEU A 78 10.075 -3.724 -10.012 1.00 23.41 H new ATOM 0 HD22 LEU A 78 11.358 -4.428 -8.998 1.00 23.41 H new ATOM 0 HD23 LEU A 78 10.517 -5.438 -10.199 1.00 23.41 H new ATOM 1257 N PHE A 79 7.355 -8.196 -8.414 1.00 4.33 N ATOM 1258 CA PHE A 79 6.186 -8.464 -9.243 1.00 44.51 C ATOM 1259 C PHE A 79 4.918 -8.508 -8.396 1.00 54.34 C ATOM 1260 O PHE A 79 3.944 -7.813 -8.683 1.00 34.11 O ATOM 1261 CB PHE A 79 6.359 -9.786 -9.993 1.00 22.04 C ATOM 1262 CG PHE A 79 5.254 -10.069 -10.969 1.00 53.04 C ATOM 1263 CD1 PHE A 79 4.921 -9.145 -11.947 1.00 15.05 C ATOM 1264 CD2 PHE A 79 4.548 -11.260 -10.912 1.00 25.13 C ATOM 1265 CE1 PHE A 79 3.904 -9.403 -12.847 1.00 43.52 C ATOM 1266 CE2 PHE A 79 3.532 -11.524 -11.810 1.00 55.10 C ATOM 1267 CZ PHE A 79 3.209 -10.593 -12.778 1.00 62.03 C ATOM 0 H PHE A 79 8.079 -8.913 -8.463 1.00 4.33 H new ATOM 0 HA PHE A 79 6.090 -7.654 -9.966 1.00 44.51 H new ATOM 0 HB2 PHE A 79 7.309 -9.770 -10.527 1.00 22.04 H new ATOM 0 HB3 PHE A 79 6.412 -10.600 -9.270 1.00 22.04 H new ATOM 0 HD1 PHE A 79 5.462 -8.212 -12.007 1.00 15.05 H new ATOM 0 HD2 PHE A 79 4.795 -11.991 -10.156 1.00 25.13 H new ATOM 0 HE1 PHE A 79 3.654 -8.674 -13.603 1.00 43.52 H new ATOM 0 HE2 PHE A 79 2.991 -12.457 -11.755 1.00 55.10 H new ATOM 0 HZ PHE A 79 2.414 -10.796 -13.480 1.00 62.03 H new ATOM 1277 N ASN A 80 4.939 -9.330 -7.352 1.00 51.41 N ATOM 1278 CA ASN A 80 3.790 -9.466 -6.464 1.00 14.12 C ATOM 1279 C ASN A 80 3.549 -8.176 -5.685 1.00 31.45 C ATOM 1280 O ASN A 80 2.426 -7.891 -5.266 1.00 61.30 O ATOM 1281 CB ASN A 80 4.005 -10.629 -5.493 1.00 10.52 C ATOM 1282 CG ASN A 80 3.500 -11.946 -6.048 1.00 25.31 C ATOM 1283 OD1 ASN A 80 2.537 -11.982 -6.813 1.00 55.13 O ATOM 1284 ND2 ASN A 80 4.149 -13.039 -5.662 1.00 41.52 N ATOM 0 H ASN A 80 5.738 -9.912 -7.100 1.00 51.41 H new ATOM 0 HA ASN A 80 2.911 -9.670 -7.076 1.00 14.12 H new ATOM 0 HB2 ASN A 80 5.067 -10.717 -5.266 1.00 10.52 H new ATOM 0 HB3 ASN A 80 3.495 -10.414 -4.554 1.00 10.52 H new ATOM 0 HD21 ASN A 80 3.853 -13.954 -6.002 1.00 41.52 H new ATOM 0 HD22 ASN A 80 4.943 -12.963 -5.026 1.00 41.52 H new ATOM 1291 N THR A 81 4.610 -7.399 -5.494 1.00 61.53 N ATOM 1292 CA THR A 81 4.514 -6.140 -4.766 1.00 25.43 C ATOM 1293 C THR A 81 3.874 -5.055 -5.625 1.00 23.14 C ATOM 1294 O THR A 81 3.134 -4.210 -5.125 1.00 15.25 O ATOM 1295 CB THR A 81 5.899 -5.657 -4.296 1.00 11.15 C ATOM 1296 OG1 THR A 81 6.591 -6.723 -3.635 1.00 43.41 O ATOM 1297 CG2 THR A 81 5.766 -4.471 -3.353 1.00 12.32 C ATOM 0 H THR A 81 5.546 -7.619 -5.833 1.00 61.53 H new ATOM 0 HA THR A 81 3.887 -6.326 -3.894 1.00 25.43 H new ATOM 0 HB THR A 81 6.467 -5.343 -5.172 1.00 11.15 H new ATOM 0 HG1 THR A 81 6.998 -7.313 -4.303 1.00 43.41 H new ATOM 0 HG21 THR A 81 6.757 -4.147 -3.034 1.00 12.32 H new ATOM 0 HG22 THR A 81 5.264 -3.651 -3.868 1.00 12.32 H new ATOM 0 HG23 THR A 81 5.182 -4.764 -2.481 1.00 12.32 H new ATOM 1305 N VAL A 82 4.165 -5.085 -6.921 1.00 64.40 N ATOM 1306 CA VAL A 82 3.617 -4.105 -7.851 1.00 13.12 C ATOM 1307 C VAL A 82 2.171 -4.431 -8.204 1.00 14.01 C ATOM 1308 O VAL A 82 1.390 -3.544 -8.549 1.00 32.14 O ATOM 1309 CB VAL A 82 4.446 -4.035 -9.147 1.00 51.53 C ATOM 1310 CG1 VAL A 82 3.852 -3.016 -10.107 1.00 42.44 C ATOM 1311 CG2 VAL A 82 5.897 -3.700 -8.833 1.00 21.41 C ATOM 0 H VAL A 82 4.778 -5.778 -7.351 1.00 64.40 H new ATOM 0 HA VAL A 82 3.657 -3.138 -7.350 1.00 13.12 H new ATOM 0 HB VAL A 82 4.418 -5.012 -9.629 1.00 51.53 H new ATOM 0 HG11 VAL A 82 4.451 -2.981 -11.017 1.00 42.44 H new ATOM 0 HG12 VAL A 82 2.831 -3.303 -10.356 1.00 42.44 H new ATOM 0 HG13 VAL A 82 3.848 -2.033 -9.637 1.00 42.44 H new ATOM 0 HG21 VAL A 82 6.469 -3.654 -9.760 1.00 21.41 H new ATOM 0 HG22 VAL A 82 5.947 -2.735 -8.328 1.00 21.41 H new ATOM 0 HG23 VAL A 82 6.316 -4.470 -8.186 1.00 21.41 H new ATOM 1321 N CYS A 83 1.819 -5.709 -8.114 1.00 64.25 N ATOM 1322 CA CYS A 83 0.465 -6.154 -8.424 1.00 31.24 C ATOM 1323 C CYS A 83 -0.479 -5.875 -7.259 1.00 2.45 C ATOM 1324 O CYS A 83 -1.668 -6.187 -7.321 1.00 42.33 O ATOM 1325 CB CYS A 83 0.460 -7.647 -8.755 1.00 74.30 C ATOM 1326 SG CYS A 83 0.312 -8.723 -7.309 1.00 71.01 S ATOM 0 H CYS A 83 2.453 -6.455 -7.829 1.00 64.25 H new ATOM 0 HA CYS A 83 0.115 -5.596 -9.293 1.00 31.24 H new ATOM 0 HB2 CYS A 83 -0.366 -7.855 -9.435 1.00 74.30 H new ATOM 0 HB3 CYS A 83 1.380 -7.894 -9.286 1.00 74.30 H new ATOM 0 HG CYS A 83 1.205 -8.388 -6.426 1.00 71.01 H new ATOM 1332 N VAL A 84 0.060 -5.287 -6.195 1.00 72.40 N ATOM 1333 CA VAL A 84 -0.734 -4.966 -5.015 1.00 1.01 C ATOM 1334 C VAL A 84 -0.938 -3.461 -4.883 1.00 5.34 C ATOM 1335 O VAL A 84 -2.020 -3.002 -4.515 1.00 42.25 O ATOM 1336 CB VAL A 84 -0.071 -5.499 -3.731 1.00 61.03 C ATOM 1337 CG1 VAL A 84 -0.763 -4.936 -2.499 1.00 71.51 C ATOM 1338 CG2 VAL A 84 -0.087 -7.019 -3.714 1.00 71.45 C ATOM 0 H VAL A 84 1.043 -5.023 -6.126 1.00 72.40 H new ATOM 0 HA VAL A 84 -1.702 -5.450 -5.143 1.00 1.01 H new ATOM 0 HB VAL A 84 0.968 -5.170 -3.717 1.00 61.03 H new ATOM 0 HG11 VAL A 84 -0.281 -5.324 -1.602 1.00 71.51 H new ATOM 0 HG12 VAL A 84 -0.693 -3.848 -2.507 1.00 71.51 H new ATOM 0 HG13 VAL A 84 -1.812 -5.232 -2.504 1.00 71.51 H new ATOM 0 HG21 VAL A 84 0.386 -7.378 -2.800 1.00 71.45 H new ATOM 0 HG22 VAL A 84 -1.117 -7.372 -3.753 1.00 71.45 H new ATOM 0 HG23 VAL A 84 0.459 -7.398 -4.578 1.00 71.45 H new ATOM 1348 N ILE A 85 0.108 -2.699 -5.183 1.00 11.14 N ATOM 1349 CA ILE A 85 0.043 -1.245 -5.098 1.00 62.21 C ATOM 1350 C ILE A 85 -0.968 -0.682 -6.092 1.00 31.14 C ATOM 1351 O ILE A 85 -1.600 0.342 -5.835 1.00 52.21 O ATOM 1352 CB ILE A 85 1.418 -0.604 -5.363 1.00 11.42 C ATOM 1353 CG1 ILE A 85 2.435 -1.081 -4.324 1.00 51.34 C ATOM 1354 CG2 ILE A 85 1.307 0.913 -5.346 1.00 51.12 C ATOM 1355 CD1 ILE A 85 2.517 -0.189 -3.105 1.00 12.30 C ATOM 0 H ILE A 85 1.011 -3.064 -5.487 1.00 11.14 H new ATOM 0 HA ILE A 85 -0.273 -1.001 -4.084 1.00 62.21 H new ATOM 0 HB ILE A 85 1.763 -0.912 -6.350 1.00 11.42 H new ATOM 0 HG12 ILE A 85 2.173 -2.091 -4.008 1.00 51.34 H new ATOM 0 HG13 ILE A 85 3.419 -1.138 -4.790 1.00 51.34 H new ATOM 0 HG21 ILE A 85 2.287 1.352 -5.535 1.00 51.12 H new ATOM 0 HG22 ILE A 85 0.610 1.236 -6.119 1.00 51.12 H new ATOM 0 HG23 ILE A 85 0.945 1.240 -4.372 1.00 51.12 H new ATOM 0 HD11 ILE A 85 3.257 -0.588 -2.411 1.00 12.30 H new ATOM 0 HD12 ILE A 85 2.809 0.816 -3.409 1.00 12.30 H new ATOM 0 HD13 ILE A 85 1.544 -0.152 -2.615 1.00 12.30 H new ATOM 1367 N TRP A 86 -1.116 -1.359 -7.224 1.00 63.33 N ATOM 1368 CA TRP A 86 -2.052 -0.927 -8.256 1.00 14.11 C ATOM 1369 C TRP A 86 -3.492 -1.045 -7.768 1.00 44.41 C ATOM 1370 O TRP A 86 -4.327 -0.186 -8.056 1.00 21.21 O ATOM 1371 CB TRP A 86 -1.861 -1.756 -9.526 1.00 72.44 C ATOM 1372 CG TRP A 86 -2.786 -1.361 -10.638 1.00 34.51 C ATOM 1373 CD1 TRP A 86 -2.533 -0.462 -11.635 1.00 62.40 C ATOM 1374 CD2 TRP A 86 -4.112 -1.852 -10.865 1.00 33.14 C ATOM 1375 NE1 TRP A 86 -3.622 -0.365 -12.467 1.00 10.50 N ATOM 1376 CE2 TRP A 86 -4.604 -1.208 -12.016 1.00 51.43 C ATOM 1377 CE3 TRP A 86 -4.932 -2.774 -10.208 1.00 3.34 C ATOM 1378 CZ2 TRP A 86 -5.877 -1.456 -12.522 1.00 11.13 C ATOM 1379 CZ3 TRP A 86 -6.195 -3.020 -10.710 1.00 45.42 C ATOM 1380 CH2 TRP A 86 -6.658 -2.363 -11.859 1.00 43.40 C ATOM 0 H TRP A 86 -0.600 -2.209 -7.451 1.00 63.33 H new ATOM 0 HA TRP A 86 -1.849 0.120 -8.481 1.00 14.11 H new ATOM 0 HB2 TRP A 86 -0.831 -1.654 -9.867 1.00 72.44 H new ATOM 0 HB3 TRP A 86 -2.016 -2.809 -9.291 1.00 72.44 H new ATOM 0 HD1 TRP A 86 -1.613 0.091 -11.752 1.00 62.40 H new ATOM 0 HE1 TRP A 86 -3.689 0.237 -13.288 1.00 10.50 H new ATOM 0 HE3 TRP A 86 -4.584 -3.285 -9.323 1.00 3.34 H new ATOM 0 HZ2 TRP A 86 -6.235 -0.950 -13.406 1.00 11.13 H new ATOM 0 HZ3 TRP A 86 -6.837 -3.730 -10.209 1.00 45.42 H new ATOM 0 HH2 TRP A 86 -7.650 -2.577 -12.228 1.00 43.40 H new ATOM 1391 N CYS A 87 -3.777 -2.112 -7.030 1.00 41.30 N ATOM 1392 CA CYS A 87 -5.117 -2.342 -6.503 1.00 52.34 C ATOM 1393 C CYS A 87 -5.483 -1.283 -5.467 1.00 71.22 C ATOM 1394 O CYS A 87 -6.659 -1.073 -5.168 1.00 64.42 O ATOM 1395 CB CYS A 87 -5.211 -3.735 -5.881 1.00 5.24 C ATOM 1396 SG CYS A 87 -5.866 -4.999 -6.994 1.00 73.43 S ATOM 0 H CYS A 87 -3.098 -2.832 -6.783 1.00 41.30 H new ATOM 0 HA CYS A 87 -5.823 -2.274 -7.331 1.00 52.34 H new ATOM 0 HB2 CYS A 87 -4.219 -4.039 -5.547 1.00 5.24 H new ATOM 0 HB3 CYS A 87 -5.844 -3.683 -4.995 1.00 5.24 H new ATOM 0 HG CYS A 87 -7.050 -5.357 -6.595 1.00 73.43 H new ATOM 1402 N ILE A 88 -4.468 -0.619 -4.923 1.00 22.43 N ATOM 1403 CA ILE A 88 -4.684 0.416 -3.921 1.00 40.42 C ATOM 1404 C ILE A 88 -5.089 1.735 -4.572 1.00 12.04 C ATOM 1405 O ILE A 88 -5.917 2.474 -4.038 1.00 74.42 O ATOM 1406 CB ILE A 88 -3.423 0.644 -3.066 1.00 40.34 C ATOM 1407 CG1 ILE A 88 -3.002 -0.657 -2.382 1.00 22.31 C ATOM 1408 CG2 ILE A 88 -3.671 1.736 -2.036 1.00 30.42 C ATOM 1409 CD1 ILE A 88 -1.576 -0.641 -1.877 1.00 41.41 C ATOM 0 H ILE A 88 -3.489 -0.780 -5.160 1.00 22.43 H new ATOM 0 HA ILE A 88 -5.492 0.068 -3.277 1.00 40.42 H new ATOM 0 HB ILE A 88 -2.612 0.967 -3.719 1.00 40.34 H new ATOM 0 HG12 ILE A 88 -3.673 -0.852 -1.545 1.00 22.31 H new ATOM 0 HG13 ILE A 88 -3.121 -1.482 -3.084 1.00 22.31 H new ATOM 0 HG21 ILE A 88 -2.771 1.885 -1.440 1.00 30.42 H new ATOM 0 HG22 ILE A 88 -3.927 2.665 -2.545 1.00 30.42 H new ATOM 0 HG23 ILE A 88 -4.493 1.441 -1.384 1.00 30.42 H new ATOM 0 HD11 ILE A 88 -1.347 -1.596 -1.404 1.00 41.41 H new ATOM 0 HD12 ILE A 88 -0.896 -0.478 -2.713 1.00 41.41 H new ATOM 0 HD13 ILE A 88 -1.456 0.162 -1.150 1.00 41.41 H new ATOM 1421 N HIS A 89 -4.501 2.024 -5.727 1.00 64.14 N ATOM 1422 CA HIS A 89 -4.801 3.253 -6.453 1.00 62.55 C ATOM 1423 C HIS A 89 -5.967 3.042 -7.416 1.00 33.02 C ATOM 1424 O HIS A 89 -6.651 4.026 -7.699 1.00 64.54 O ATOM 1425 CB HIS A 89 -3.570 3.730 -7.225 1.00 24.15 C ATOM 1426 CG HIS A 89 -2.329 3.796 -6.388 1.00 21.33 C ATOM 1427 ND1 HIS A 89 -2.323 4.242 -5.084 1.00 13.54 N ATOM 1428 CD2 HIS A 89 -1.048 3.467 -6.676 1.00 41.22 C ATOM 1429 CE1 HIS A 89 -1.092 4.186 -4.607 1.00 12.54 C ATOM 1430 NE2 HIS A 89 -0.299 3.718 -5.554 1.00 15.50 N ATOM 0 H HIS A 89 -3.813 1.424 -6.182 1.00 64.14 H new ATOM 0 HA HIS A 89 -5.082 4.015 -5.726 1.00 62.55 H new ATOM 0 HB2 HIS A 89 -3.396 3.059 -8.066 1.00 24.15 H new ATOM 0 HB3 HIS A 89 -3.771 4.717 -7.641 1.00 24.15 H new ATOM 0 HD2 HIS A 89 -0.683 3.079 -7.615 1.00 41.22 H new ATOM 0 HE1 HIS A 89 -0.786 4.474 -3.612 1.00 12.54 H new ATOM 0 HE2 HIS A 89 0.706 3.568 -5.466 1.00 15.50 H new ATOM 1438 N ALA A 90 -6.202 1.831 -7.908 1.00 74.53 N ATOM 1439 CA ALA A 90 -7.306 1.581 -8.828 1.00 45.11 C ATOM 1440 C ALA A 90 -8.619 1.403 -8.075 1.00 74.01 C ATOM 1441 O ALA A 90 -9.650 1.095 -8.673 1.00 55.41 O ATOM 1442 CB ALA A 90 -7.014 0.356 -9.682 1.00 71.11 C ATOM 0 H ALA A 90 -5.643 1.007 -7.686 1.00 74.53 H new ATOM 0 HA ALA A 90 -7.407 2.449 -9.480 1.00 45.11 H new ATOM 0 HB1 ALA A 90 -7.846 0.181 -10.364 1.00 71.11 H new ATOM 0 HB2 ALA A 90 -6.103 0.522 -10.257 1.00 71.11 H new ATOM 0 HB3 ALA A 90 -6.884 -0.514 -9.038 1.00 71.11 H new ATOM 1448 N GLU A 91 -8.574 1.596 -6.761 1.00 30.01 N ATOM 1449 CA GLU A 91 -9.762 1.454 -5.927 1.00 51.22 C ATOM 1450 C GLU A 91 -10.233 0.004 -5.893 1.00 75.12 C ATOM 1451 O GLU A 91 -11.402 -0.273 -5.624 1.00 23.23 O ATOM 1452 CB GLU A 91 -10.885 2.355 -6.444 1.00 50.41 C ATOM 1453 CG GLU A 91 -11.910 2.721 -5.382 1.00 45.41 C ATOM 1454 CD GLU A 91 -13.137 3.396 -5.964 1.00 4.22 C ATOM 1455 OE1 GLU A 91 -13.070 3.848 -7.126 1.00 2.43 O ATOM 1456 OE2 GLU A 91 -14.163 3.472 -5.257 1.00 21.03 O ATOM 0 H GLU A 91 -7.728 1.851 -6.251 1.00 30.01 H new ATOM 0 HA GLU A 91 -9.501 1.756 -4.913 1.00 51.22 H new ATOM 0 HB2 GLU A 91 -10.449 3.269 -6.847 1.00 50.41 H new ATOM 0 HB3 GLU A 91 -11.392 1.853 -7.268 1.00 50.41 H new ATOM 0 HG2 GLU A 91 -12.214 1.820 -4.850 1.00 45.41 H new ATOM 0 HG3 GLU A 91 -11.448 3.383 -4.650 1.00 45.41 H new ATOM 1463 N GLU A 92 -9.316 -0.917 -6.172 1.00 30.35 N ATOM 1464 CA GLU A 92 -9.639 -2.339 -6.174 1.00 65.21 C ATOM 1465 C GLU A 92 -9.415 -2.951 -4.794 1.00 72.23 C ATOM 1466 O GLU A 92 -8.454 -2.615 -4.102 1.00 30.45 O ATOM 1467 CB GLU A 92 -8.790 -3.075 -7.213 1.00 64.34 C ATOM 1468 CG GLU A 92 -9.037 -2.613 -8.640 1.00 15.23 C ATOM 1469 CD GLU A 92 -9.683 -3.683 -9.496 1.00 51.21 C ATOM 1470 OE1 GLU A 92 -10.414 -4.529 -8.940 1.00 54.40 O ATOM 1471 OE2 GLU A 92 -9.457 -3.675 -10.725 1.00 33.45 O ATOM 0 H GLU A 92 -8.345 -0.704 -6.399 1.00 30.35 H new ATOM 0 HA GLU A 92 -10.692 -2.445 -6.433 1.00 65.21 H new ATOM 0 HB2 GLU A 92 -7.736 -2.936 -6.973 1.00 64.34 H new ATOM 0 HB3 GLU A 92 -8.994 -4.144 -7.146 1.00 64.34 H new ATOM 0 HG2 GLU A 92 -9.675 -1.730 -8.626 1.00 15.23 H new ATOM 0 HG3 GLU A 92 -8.090 -2.315 -9.090 1.00 15.23 H new ATOM 1478 N LYS A 93 -10.311 -3.849 -4.400 1.00 72.33 N ATOM 1479 CA LYS A 93 -10.214 -4.510 -3.104 1.00 22.13 C ATOM 1480 C LYS A 93 -9.889 -5.991 -3.270 1.00 20.50 C ATOM 1481 O LYS A 93 -10.501 -6.683 -4.084 1.00 33.03 O ATOM 1482 CB LYS A 93 -11.522 -4.347 -2.326 1.00 32.31 C ATOM 1483 CG LYS A 93 -11.492 -4.981 -0.947 1.00 22.23 C ATOM 1484 CD LYS A 93 -12.892 -5.290 -0.444 1.00 73.42 C ATOM 1485 CE LYS A 93 -13.092 -6.784 -0.234 1.00 51.34 C ATOM 1486 NZ LYS A 93 -12.895 -7.176 1.188 1.00 11.53 N ATOM 0 H LYS A 93 -11.114 -4.136 -4.960 1.00 72.33 H new ATOM 0 HA LYS A 93 -9.405 -4.040 -2.545 1.00 22.13 H new ATOM 0 HB2 LYS A 93 -11.744 -3.285 -2.224 1.00 32.31 H new ATOM 0 HB3 LYS A 93 -12.335 -4.789 -2.902 1.00 32.31 H new ATOM 0 HG2 LYS A 93 -10.906 -5.899 -0.981 1.00 22.23 H new ATOM 0 HG3 LYS A 93 -10.993 -4.310 -0.248 1.00 22.23 H new ATOM 0 HD2 LYS A 93 -13.067 -4.763 0.494 1.00 73.42 H new ATOM 0 HD3 LYS A 93 -13.627 -4.920 -1.159 1.00 73.42 H new ATOM 0 HE2 LYS A 93 -14.096 -7.064 -0.552 1.00 51.34 H new ATOM 0 HE3 LYS A 93 -12.393 -7.336 -0.863 1.00 51.34 H new ATOM 0 HZ1 LYS A 93 -13.040 -8.201 1.289 1.00 11.53 H new ATOM 0 HZ2 LYS A 93 -11.928 -6.932 1.485 1.00 11.53 H new ATOM 0 HZ3 LYS A 93 -13.579 -6.669 1.786 1.00 11.53 H new ATOM 1500 N VAL A 94 -8.924 -6.471 -2.493 1.00 25.31 N ATOM 1501 CA VAL A 94 -8.520 -7.872 -2.553 1.00 54.11 C ATOM 1502 C VAL A 94 -8.309 -8.443 -1.156 1.00 14.33 C ATOM 1503 O VAL A 94 -8.450 -7.737 -0.156 1.00 4.01 O ATOM 1504 CB VAL A 94 -7.226 -8.049 -3.369 1.00 14.55 C ATOM 1505 CG1 VAL A 94 -7.445 -7.630 -4.814 1.00 43.13 C ATOM 1506 CG2 VAL A 94 -6.090 -7.255 -2.741 1.00 24.12 C ATOM 0 H VAL A 94 -8.407 -5.912 -1.815 1.00 25.31 H new ATOM 0 HA VAL A 94 -9.328 -8.413 -3.046 1.00 54.11 H new ATOM 0 HB VAL A 94 -6.951 -9.104 -3.360 1.00 14.55 H new ATOM 0 HG11 VAL A 94 -6.520 -7.762 -5.375 1.00 43.13 H new ATOM 0 HG12 VAL A 94 -8.229 -8.245 -5.256 1.00 43.13 H new ATOM 0 HG13 VAL A 94 -7.744 -6.582 -4.848 1.00 43.13 H new ATOM 0 HG21 VAL A 94 -5.183 -7.391 -3.329 1.00 24.12 H new ATOM 0 HG22 VAL A 94 -6.354 -6.198 -2.719 1.00 24.12 H new ATOM 0 HG23 VAL A 94 -5.919 -7.607 -1.724 1.00 24.12 H new ATOM 1516 N LYS A 95 -7.971 -9.726 -1.092 1.00 41.13 N ATOM 1517 CA LYS A 95 -7.738 -10.395 0.183 1.00 75.12 C ATOM 1518 C LYS A 95 -6.303 -10.901 0.278 1.00 70.22 C ATOM 1519 O LYS A 95 -5.734 -10.985 1.367 1.00 53.22 O ATOM 1520 CB LYS A 95 -8.715 -11.560 0.357 1.00 44.21 C ATOM 1521 CG LYS A 95 -10.155 -11.123 0.556 1.00 12.13 C ATOM 1522 CD LYS A 95 -10.960 -11.253 -0.726 1.00 51.22 C ATOM 1523 CE LYS A 95 -12.412 -10.854 -0.516 1.00 33.42 C ATOM 1524 NZ LYS A 95 -13.324 -11.560 -1.459 1.00 3.31 N ATOM 0 H LYS A 95 -7.852 -10.325 -1.909 1.00 41.13 H new ATOM 0 HA LYS A 95 -7.901 -9.670 0.981 1.00 75.12 H new ATOM 0 HB2 LYS A 95 -8.658 -12.205 -0.520 1.00 44.21 H new ATOM 0 HB3 LYS A 95 -8.404 -12.159 1.213 1.00 44.21 H new ATOM 0 HG2 LYS A 95 -10.615 -11.727 1.338 1.00 12.13 H new ATOM 0 HG3 LYS A 95 -10.178 -10.088 0.898 1.00 12.13 H new ATOM 0 HD2 LYS A 95 -10.518 -10.626 -1.500 1.00 51.22 H new ATOM 0 HD3 LYS A 95 -10.912 -12.281 -1.084 1.00 51.22 H new ATOM 0 HE2 LYS A 95 -12.706 -11.078 0.509 1.00 33.42 H new ATOM 0 HE3 LYS A 95 -12.515 -9.777 -0.649 1.00 33.42 H new ATOM 0 HZ1 LYS A 95 -14.304 -11.261 -1.283 1.00 3.31 H new ATOM 0 HZ2 LYS A 95 -13.060 -11.326 -2.437 1.00 3.31 H new ATOM 0 HZ3 LYS A 95 -13.245 -12.587 -1.315 1.00 3.31 H new ATOM 1538 N ASP A 96 -5.722 -11.237 -0.869 1.00 51.45 N ATOM 1539 CA ASP A 96 -4.351 -11.732 -0.916 1.00 20.23 C ATOM 1540 C ASP A 96 -3.629 -11.220 -2.159 1.00 34.45 C ATOM 1541 O ASP A 96 -4.171 -10.415 -2.917 1.00 62.32 O ATOM 1542 CB ASP A 96 -4.339 -13.262 -0.896 1.00 44.30 C ATOM 1543 CG ASP A 96 -5.052 -13.862 -2.093 1.00 12.34 C ATOM 1544 OD1 ASP A 96 -6.292 -13.994 -2.038 1.00 2.11 O ATOM 1545 OD2 ASP A 96 -4.369 -14.199 -3.083 1.00 52.22 O ATOM 0 H ASP A 96 -6.179 -11.176 -1.779 1.00 51.45 H new ATOM 0 HA ASP A 96 -3.826 -11.360 -0.036 1.00 20.23 H new ATOM 0 HB2 ASP A 96 -3.308 -13.614 -0.877 1.00 44.30 H new ATOM 0 HB3 ASP A 96 -4.813 -13.614 0.020 1.00 44.30 H new ATOM 1550 N THR A 97 -2.404 -11.693 -2.361 1.00 71.05 N ATOM 1551 CA THR A 97 -1.607 -11.281 -3.510 1.00 23.41 C ATOM 1552 C THR A 97 -2.136 -11.904 -4.797 1.00 0.30 C ATOM 1553 O THR A 97 -2.334 -11.213 -5.796 1.00 1.44 O ATOM 1554 CB THR A 97 -0.127 -11.671 -3.336 1.00 14.42 C ATOM 1555 OG1 THR A 97 0.406 -11.053 -2.160 1.00 24.34 O ATOM 1556 CG2 THR A 97 0.689 -11.252 -4.549 1.00 31.01 C ATOM 0 H THR A 97 -1.942 -12.361 -1.744 1.00 71.05 H new ATOM 0 HA THR A 97 -1.684 -10.196 -3.575 1.00 23.41 H new ATOM 0 HB THR A 97 -0.068 -12.755 -3.236 1.00 14.42 H new ATOM 0 HG1 THR A 97 -0.237 -11.138 -1.425 1.00 24.34 H new ATOM 0 HG21 THR A 97 1.731 -11.538 -4.403 1.00 31.01 H new ATOM 0 HG22 THR A 97 0.298 -11.746 -5.439 1.00 31.01 H new ATOM 0 HG23 THR A 97 0.624 -10.171 -4.676 1.00 31.01 H new ATOM 1564 N GLU A 98 -2.364 -13.213 -4.766 1.00 22.23 N ATOM 1565 CA GLU A 98 -2.871 -13.928 -5.931 1.00 1.30 C ATOM 1566 C GLU A 98 -4.125 -13.253 -6.481 1.00 42.41 C ATOM 1567 O GLU A 98 -4.260 -13.060 -7.689 1.00 0.51 O ATOM 1568 CB GLU A 98 -3.177 -15.383 -5.571 1.00 74.22 C ATOM 1569 CG GLU A 98 -2.319 -16.390 -6.318 1.00 51.34 C ATOM 1570 CD GLU A 98 -3.133 -17.294 -7.223 1.00 70.21 C ATOM 1571 OE1 GLU A 98 -4.043 -17.980 -6.713 1.00 62.44 O ATOM 1572 OE2 GLU A 98 -2.859 -17.316 -8.441 1.00 43.42 O ATOM 0 H GLU A 98 -2.206 -13.800 -3.947 1.00 22.23 H new ATOM 0 HA GLU A 98 -2.101 -13.907 -6.702 1.00 1.30 H new ATOM 0 HB2 GLU A 98 -3.034 -15.521 -4.499 1.00 74.22 H new ATOM 0 HB3 GLU A 98 -4.227 -15.587 -5.781 1.00 74.22 H new ATOM 0 HG2 GLU A 98 -1.577 -15.858 -6.914 1.00 51.34 H new ATOM 0 HG3 GLU A 98 -1.772 -17.000 -5.599 1.00 51.34 H new ATOM 1579 N GLY A 99 -5.039 -12.897 -5.584 1.00 75.41 N ATOM 1580 CA GLY A 99 -6.270 -12.249 -5.998 1.00 0.31 C ATOM 1581 C GLY A 99 -6.024 -10.916 -6.676 1.00 43.30 C ATOM 1582 O GLY A 99 -6.597 -10.632 -7.727 1.00 11.22 O ATOM 0 H GLY A 99 -4.949 -13.045 -4.579 1.00 75.41 H new ATOM 0 HA2 GLY A 99 -6.811 -12.905 -6.680 1.00 0.31 H new ATOM 0 HA3 GLY A 99 -6.908 -12.098 -5.127 1.00 0.31 H new ATOM 1586 N ALA A 100 -5.170 -10.095 -6.073 1.00 23.12 N ATOM 1587 CA ALA A 100 -4.848 -8.785 -6.625 1.00 31.21 C ATOM 1588 C ALA A 100 -4.241 -8.911 -8.018 1.00 25.01 C ATOM 1589 O ALA A 100 -4.623 -8.192 -8.941 1.00 75.40 O ATOM 1590 CB ALA A 100 -3.899 -8.041 -5.698 1.00 54.43 C ATOM 0 H ALA A 100 -4.688 -10.315 -5.201 1.00 23.12 H new ATOM 0 HA ALA A 100 -5.774 -8.216 -6.711 1.00 31.21 H new ATOM 0 HB1 ALA A 100 -3.667 -7.064 -6.123 1.00 54.43 H new ATOM 0 HB2 ALA A 100 -4.370 -7.911 -4.724 1.00 54.43 H new ATOM 0 HB3 ALA A 100 -2.979 -8.614 -5.583 1.00 54.43 H new ATOM 1596 N LYS A 101 -3.291 -9.829 -8.163 1.00 74.42 N ATOM 1597 CA LYS A 101 -2.630 -10.050 -9.444 1.00 52.22 C ATOM 1598 C LYS A 101 -3.635 -10.483 -10.507 1.00 42.53 C ATOM 1599 O LYS A 101 -3.599 -10.001 -11.639 1.00 62.33 O ATOM 1600 CB LYS A 101 -1.536 -11.110 -9.300 1.00 43.21 C ATOM 1601 CG LYS A 101 -0.245 -10.753 -10.015 1.00 43.55 C ATOM 1602 CD LYS A 101 0.132 -11.803 -11.046 1.00 72.12 C ATOM 1603 CE LYS A 101 0.552 -13.107 -10.387 1.00 2.05 C ATOM 1604 NZ LYS A 101 -0.399 -14.213 -10.687 1.00 10.23 N ATOM 0 H LYS A 101 -2.962 -10.432 -7.409 1.00 74.42 H new ATOM 0 HA LYS A 101 -2.177 -9.110 -9.758 1.00 52.22 H new ATOM 0 HB2 LYS A 101 -1.325 -11.261 -8.241 1.00 43.21 H new ATOM 0 HB3 LYS A 101 -1.907 -12.058 -9.689 1.00 43.21 H new ATOM 0 HG2 LYS A 101 -0.355 -9.785 -10.504 1.00 43.55 H new ATOM 0 HG3 LYS A 101 0.559 -10.652 -9.286 1.00 43.55 H new ATOM 0 HD2 LYS A 101 -0.715 -11.985 -11.708 1.00 72.12 H new ATOM 0 HD3 LYS A 101 0.946 -11.429 -11.666 1.00 72.12 H new ATOM 0 HE2 LYS A 101 1.549 -13.383 -10.731 1.00 2.05 H new ATOM 0 HE3 LYS A 101 0.615 -12.965 -9.308 1.00 2.05 H new ATOM 0 HZ1 LYS A 101 -0.411 -14.885 -9.894 1.00 10.23 H new ATOM 0 HZ2 LYS A 101 -1.353 -13.823 -10.825 1.00 10.23 H new ATOM 0 HZ3 LYS A 101 -0.098 -14.705 -11.553 1.00 10.23 H new ATOM 1618 N GLN A 102 -4.528 -11.392 -10.135 1.00 73.21 N ATOM 1619 CA GLN A 102 -5.543 -11.889 -11.057 1.00 43.34 C ATOM 1620 C GLN A 102 -6.335 -10.736 -11.667 1.00 42.10 C ATOM 1621 O GLN A 102 -6.645 -10.746 -12.858 1.00 75.53 O ATOM 1622 CB GLN A 102 -6.491 -12.849 -10.338 1.00 25.33 C ATOM 1623 CG GLN A 102 -7.458 -13.562 -11.270 1.00 54.20 C ATOM 1624 CD GLN A 102 -7.831 -14.946 -10.778 1.00 24.03 C ATOM 1625 OE1 GLN A 102 -8.699 -15.098 -9.917 1.00 71.42 O ATOM 1626 NE2 GLN A 102 -7.176 -15.965 -11.321 1.00 2.41 N ATOM 0 H GLN A 102 -4.570 -11.800 -9.201 1.00 73.21 H new ATOM 0 HA GLN A 102 -5.036 -12.424 -11.860 1.00 43.34 H new ATOM 0 HB2 GLN A 102 -5.903 -13.593 -9.800 1.00 25.33 H new ATOM 0 HB3 GLN A 102 -7.061 -12.294 -9.593 1.00 25.33 H new ATOM 0 HG2 GLN A 102 -8.362 -12.963 -11.376 1.00 54.20 H new ATOM 0 HG3 GLN A 102 -7.010 -13.641 -12.260 1.00 54.20 H new ATOM 0 HE21 GLN A 102 -6.464 -15.793 -12.031 1.00 2.41 H new ATOM 0 HE22 GLN A 102 -7.384 -16.920 -11.028 1.00 2.41 H new ATOM 1635 N ILE A 103 -6.656 -9.745 -10.843 1.00 34.25 N ATOM 1636 CA ILE A 103 -7.411 -8.586 -11.302 1.00 54.33 C ATOM 1637 C ILE A 103 -6.652 -7.830 -12.387 1.00 54.22 C ATOM 1638 O ILE A 103 -7.218 -7.468 -13.419 1.00 30.34 O ATOM 1639 CB ILE A 103 -7.721 -7.621 -10.142 1.00 74.33 C ATOM 1640 CG1 ILE A 103 -8.569 -8.323 -9.079 1.00 51.13 C ATOM 1641 CG2 ILE A 103 -8.434 -6.381 -10.661 1.00 12.44 C ATOM 1642 CD1 ILE A 103 -8.790 -7.491 -7.836 1.00 55.22 C ATOM 0 H ILE A 103 -6.405 -9.721 -9.855 1.00 34.25 H new ATOM 0 HA ILE A 103 -8.348 -8.962 -11.712 1.00 54.33 H new ATOM 0 HB ILE A 103 -6.781 -7.312 -9.685 1.00 74.33 H new ATOM 0 HG12 ILE A 103 -9.536 -8.582 -9.510 1.00 51.13 H new ATOM 0 HG13 ILE A 103 -8.085 -9.258 -8.799 1.00 51.13 H new ATOM 0 HG21 ILE A 103 -8.646 -5.709 -9.830 1.00 12.44 H new ATOM 0 HG22 ILE A 103 -7.798 -5.872 -11.386 1.00 12.44 H new ATOM 0 HG23 ILE A 103 -9.369 -6.672 -11.140 1.00 12.44 H new ATOM 0 HD11 ILE A 103 -9.399 -8.051 -7.127 1.00 55.22 H new ATOM 0 HD12 ILE A 103 -7.828 -7.254 -7.381 1.00 55.22 H new ATOM 0 HD13 ILE A 103 -9.302 -6.567 -8.103 1.00 55.22 H new ATOM 1654 N VAL A 104 -5.366 -7.596 -12.148 1.00 2.43 N ATOM 1655 CA VAL A 104 -4.527 -6.886 -13.106 1.00 65.35 C ATOM 1656 C VAL A 104 -4.479 -7.618 -14.443 1.00 53.24 C ATOM 1657 O VAL A 104 -4.750 -7.032 -15.492 1.00 70.14 O ATOM 1658 CB VAL A 104 -3.090 -6.715 -12.577 1.00 33.04 C ATOM 1659 CG1 VAL A 104 -2.231 -5.976 -13.591 1.00 35.14 C ATOM 1660 CG2 VAL A 104 -3.099 -5.987 -11.240 1.00 71.43 C ATOM 0 H VAL A 104 -4.882 -7.888 -11.299 1.00 2.43 H new ATOM 0 HA VAL A 104 -4.974 -5.902 -13.248 1.00 65.35 H new ATOM 0 HB VAL A 104 -2.657 -7.704 -12.424 1.00 33.04 H new ATOM 0 HG11 VAL A 104 -1.220 -5.865 -13.199 1.00 35.14 H new ATOM 0 HG12 VAL A 104 -2.199 -6.542 -14.522 1.00 35.14 H new ATOM 0 HG13 VAL A 104 -2.657 -4.991 -13.780 1.00 35.14 H new ATOM 0 HG21 VAL A 104 -2.076 -5.874 -10.880 1.00 71.43 H new ATOM 0 HG22 VAL A 104 -3.550 -5.003 -11.365 1.00 71.43 H new ATOM 0 HG23 VAL A 104 -3.677 -6.562 -10.516 1.00 71.43 H new ATOM 1670 N ARG A 105 -4.136 -8.900 -14.398 1.00 24.34 N ATOM 1671 CA ARG A 105 -4.052 -9.712 -15.606 1.00 51.25 C ATOM 1672 C ARG A 105 -5.427 -9.870 -16.250 1.00 21.44 C ATOM 1673 O ARG A 105 -5.537 -10.061 -17.461 1.00 63.30 O ATOM 1674 CB ARG A 105 -3.466 -11.088 -15.283 1.00 15.01 C ATOM 1675 CG ARG A 105 -3.221 -11.949 -16.510 1.00 71.33 C ATOM 1676 CD ARG A 105 -2.357 -13.155 -16.181 1.00 4.24 C ATOM 1677 NE ARG A 105 -1.295 -13.353 -17.164 1.00 52.13 N ATOM 1678 CZ ARG A 105 -1.481 -13.951 -18.336 1.00 0.23 C ATOM 1679 NH1 ARG A 105 -2.681 -14.406 -18.669 1.00 22.23 N ATOM 1680 NH2 ARG A 105 -0.465 -14.093 -19.178 1.00 33.50 N ATOM 0 H ARG A 105 -3.911 -9.400 -13.538 1.00 24.34 H new ATOM 0 HA ARG A 105 -3.395 -9.203 -16.311 1.00 51.25 H new ATOM 0 HB2 ARG A 105 -2.525 -10.956 -14.748 1.00 15.01 H new ATOM 0 HB3 ARG A 105 -4.144 -11.613 -14.610 1.00 15.01 H new ATOM 0 HG2 ARG A 105 -4.175 -12.284 -16.917 1.00 71.33 H new ATOM 0 HG3 ARG A 105 -2.736 -11.353 -17.283 1.00 71.33 H new ATOM 0 HD2 ARG A 105 -1.916 -13.026 -15.192 1.00 4.24 H new ATOM 0 HD3 ARG A 105 -2.982 -14.047 -16.138 1.00 4.24 H new ATOM 0 HE ARG A 105 -0.360 -13.014 -16.939 1.00 52.13 H new ATOM 0 HH11 ARG A 105 -3.464 -14.297 -18.025 1.00 22.23 H new ATOM 0 HH12 ARG A 105 -2.821 -14.865 -19.569 1.00 22.23 H new ATOM 0 HH21 ARG A 105 0.459 -13.743 -18.926 1.00 33.50 H new ATOM 0 HH22 ARG A 105 -0.608 -14.552 -20.077 1.00 33.50 H new ATOM 1694 N ARG A 106 -6.470 -9.791 -15.431 1.00 74.23 N ATOM 1695 CA ARG A 106 -7.838 -9.928 -15.920 1.00 45.24 C ATOM 1696 C ARG A 106 -8.205 -8.766 -16.839 1.00 10.54 C ATOM 1697 O ARG A 106 -8.991 -8.923 -17.773 1.00 3.35 O ATOM 1698 CB ARG A 106 -8.817 -9.996 -14.747 1.00 54.24 C ATOM 1699 CG ARG A 106 -9.253 -11.409 -14.398 1.00 64.55 C ATOM 1700 CD ARG A 106 -10.475 -11.829 -15.198 1.00 72.30 C ATOM 1701 NE ARG A 106 -11.703 -11.727 -14.414 1.00 61.51 N ATOM 1702 CZ ARG A 106 -12.051 -12.604 -13.478 1.00 34.33 C ATOM 1703 NH1 ARG A 106 -11.270 -13.640 -13.211 1.00 4.22 N ATOM 1704 NH2 ARG A 106 -13.185 -12.444 -12.806 1.00 63.24 N ATOM 0 H ARG A 106 -6.395 -9.633 -14.426 1.00 74.23 H new ATOM 0 HA ARG A 106 -7.903 -10.854 -16.491 1.00 45.24 H new ATOM 0 HB2 ARG A 106 -8.354 -9.541 -13.871 1.00 54.24 H new ATOM 0 HB3 ARG A 106 -9.699 -9.401 -14.986 1.00 54.24 H new ATOM 0 HG2 ARG A 106 -8.434 -12.102 -14.592 1.00 64.55 H new ATOM 0 HG3 ARG A 106 -9.476 -11.469 -13.333 1.00 64.55 H new ATOM 0 HD2 ARG A 106 -10.559 -11.204 -16.087 1.00 72.30 H new ATOM 0 HD3 ARG A 106 -10.348 -12.856 -15.542 1.00 72.30 H new ATOM 0 HE ARG A 106 -12.327 -10.941 -14.594 1.00 61.51 H new ATOM 0 HH11 ARG A 106 -10.398 -13.767 -13.725 1.00 4.22 H new ATOM 0 HH12 ARG A 106 -11.541 -14.311 -12.492 1.00 4.22 H new ATOM 0 HH21 ARG A 106 -13.790 -11.648 -13.008 1.00 63.24 H new ATOM 0 HH22 ARG A 106 -13.452 -13.117 -12.088 1.00 63.24 H new ATOM 1718 N HIS A 107 -7.632 -7.598 -16.564 1.00 44.14 N ATOM 1719 CA HIS A 107 -7.898 -6.408 -17.366 1.00 12.01 C ATOM 1720 C HIS A 107 -7.102 -6.440 -18.668 1.00 22.55 C ATOM 1721 O HIS A 107 -7.562 -5.822 -19.628 1.00 62.40 O ATOM 1722 CB HIS A 107 -7.552 -5.146 -16.574 1.00 43.43 C ATOM 1723 CG HIS A 107 -8.532 -4.834 -15.485 1.00 44.21 C ATOM 1724 ND1 HIS A 107 -9.867 -4.584 -15.723 1.00 2.00 N ATOM 1725 CD2 HIS A 107 -8.364 -4.733 -14.146 1.00 74.00 C ATOM 1726 CE1 HIS A 107 -10.477 -4.343 -14.577 1.00 74.42 C ATOM 1727 NE2 HIS A 107 -9.588 -4.427 -13.605 1.00 30.35 N ATOM 0 H HIS A 107 -6.981 -7.450 -15.793 1.00 44.14 H new ATOM 0 HA HIS A 107 -8.960 -6.395 -17.611 1.00 12.01 H new ATOM 0 HB2 HIS A 107 -6.560 -5.262 -16.137 1.00 43.43 H new ATOM 0 HB3 HIS A 107 -7.501 -4.300 -17.259 1.00 43.43 H new ATOM 0 HD2 HIS A 107 -7.440 -4.868 -13.604 1.00 74.00 H new ATOM 0 HE1 HIS A 107 -11.526 -4.116 -14.456 1.00 74.42 H new ATOM 0 HE2 HIS A 107 -9.779 -4.287 -12.613 1.00 30.35 H new ATOM 1735 N LEU A 108 -5.961 -7.119 -18.723 1.00 72.32 N ATOM 1736 CA LEU A 108 -5.167 -7.179 -19.945 1.00 65.10 C ATOM 1737 C LEU A 108 -5.659 -8.294 -20.862 1.00 14.12 C ATOM 1738 O LEU A 108 -5.871 -8.083 -22.056 1.00 2.25 O ATOM 1739 CB LEU A 108 -3.691 -7.397 -19.606 1.00 62.22 C ATOM 1740 CG LEU A 108 -2.986 -6.240 -18.898 1.00 32.21 C ATOM 1741 CD1 LEU A 108 -1.813 -6.751 -18.076 1.00 51.12 C ATOM 1742 CD2 LEU A 108 -2.520 -5.201 -19.907 1.00 74.44 C ATOM 0 H LEU A 108 -5.566 -7.635 -17.937 1.00 72.32 H new ATOM 0 HA LEU A 108 -5.279 -6.229 -20.468 1.00 65.10 H new ATOM 0 HB2 LEU A 108 -3.611 -8.284 -18.978 1.00 62.22 H new ATOM 0 HB3 LEU A 108 -3.155 -7.612 -20.530 1.00 62.22 H new ATOM 0 HG LEU A 108 -3.698 -5.767 -18.222 1.00 32.21 H new ATOM 0 HD11 LEU A 108 -1.324 -5.913 -17.580 1.00 51.12 H new ATOM 0 HD12 LEU A 108 -2.173 -7.456 -17.327 1.00 51.12 H new ATOM 0 HD13 LEU A 108 -1.100 -7.251 -18.731 1.00 51.12 H new ATOM 0 HD21 LEU A 108 -2.020 -4.385 -19.385 1.00 74.44 H new ATOM 0 HD22 LEU A 108 -1.825 -5.662 -20.609 1.00 74.44 H new ATOM 0 HD23 LEU A 108 -3.380 -4.811 -20.451 1.00 74.44 H new ATOM 1754 N VAL A 109 -5.844 -9.483 -20.294 1.00 54.35 N ATOM 1755 CA VAL A 109 -6.316 -10.630 -21.059 1.00 31.52 C ATOM 1756 C VAL A 109 -7.695 -10.365 -21.653 1.00 24.04 C ATOM 1757 O VAL A 109 -8.067 -10.951 -22.669 1.00 53.01 O ATOM 1758 CB VAL A 109 -6.380 -11.898 -20.187 1.00 4.40 C ATOM 1759 CG1 VAL A 109 -6.911 -13.074 -20.992 1.00 3.11 C ATOM 1760 CG2 VAL A 109 -5.010 -12.214 -19.607 1.00 1.03 C ATOM 0 H VAL A 109 -5.674 -9.676 -19.307 1.00 54.35 H new ATOM 0 HA VAL A 109 -5.600 -10.788 -21.866 1.00 31.52 H new ATOM 0 HB VAL A 109 -7.067 -11.715 -19.360 1.00 4.40 H new ATOM 0 HG11 VAL A 109 -6.949 -13.961 -20.359 1.00 3.11 H new ATOM 0 HG12 VAL A 109 -7.913 -12.844 -21.355 1.00 3.11 H new ATOM 0 HG13 VAL A 109 -6.252 -13.261 -21.840 1.00 3.11 H new ATOM 0 HG21 VAL A 109 -5.073 -13.113 -18.994 1.00 1.03 H new ATOM 0 HG22 VAL A 109 -4.300 -12.377 -20.418 1.00 1.03 H new ATOM 0 HG23 VAL A 109 -4.673 -11.379 -18.993 1.00 1.03 H new ATOM 1770 N ALA A 110 -8.448 -9.478 -21.012 1.00 72.12 N ATOM 1771 CA ALA A 110 -9.786 -9.133 -21.478 1.00 64.34 C ATOM 1772 C ALA A 110 -9.727 -8.357 -22.789 1.00 73.03 C ATOM 1773 O ALA A 110 -10.673 -8.377 -23.576 1.00 54.22 O ATOM 1774 CB ALA A 110 -10.523 -8.328 -20.418 1.00 51.34 C ATOM 0 H ALA A 110 -8.155 -8.985 -20.169 1.00 72.12 H new ATOM 0 HA ALA A 110 -10.331 -10.059 -21.659 1.00 64.34 H new ATOM 0 HB1 ALA A 110 -11.520 -8.077 -20.779 1.00 51.34 H new ATOM 0 HB2 ALA A 110 -10.605 -8.918 -19.505 1.00 51.34 H new ATOM 0 HB3 ALA A 110 -9.972 -7.411 -20.209 1.00 51.34 H new ATOM 1780 N GLU A 111 -8.610 -7.674 -23.018 1.00 11.22 N ATOM 1781 CA GLU A 111 -8.429 -6.889 -24.234 1.00 34.12 C ATOM 1782 C GLU A 111 -7.552 -7.634 -25.236 1.00 74.20 C ATOM 1783 O GLU A 111 -7.675 -7.446 -26.447 1.00 74.31 O ATOM 1784 CB GLU A 111 -7.807 -5.531 -23.904 1.00 63.40 C ATOM 1785 CG GLU A 111 -8.796 -4.380 -23.953 1.00 51.12 C ATOM 1786 CD GLU A 111 -8.144 -3.038 -23.682 1.00 64.01 C ATOM 1787 OE1 GLU A 111 -8.031 -2.661 -22.497 1.00 42.33 O ATOM 1788 OE2 GLU A 111 -7.745 -2.365 -24.656 1.00 62.40 O ATOM 0 H GLU A 111 -7.817 -7.648 -22.378 1.00 11.22 H new ATOM 0 HA GLU A 111 -9.409 -6.730 -24.683 1.00 34.12 H new ATOM 0 HB2 GLU A 111 -7.364 -5.576 -22.909 1.00 63.40 H new ATOM 0 HB3 GLU A 111 -6.996 -5.332 -24.605 1.00 63.40 H new ATOM 0 HG2 GLU A 111 -9.272 -4.357 -24.933 1.00 51.12 H new ATOM 0 HG3 GLU A 111 -9.584 -4.552 -23.220 1.00 51.12 H new ATOM 1795 N THR A 112 -6.664 -8.480 -24.723 1.00 12.41 N ATOM 1796 CA THR A 112 -5.765 -9.252 -25.571 1.00 11.32 C ATOM 1797 C THR A 112 -6.448 -10.509 -26.096 1.00 20.34 C ATOM 1798 O THR A 112 -6.098 -11.019 -27.159 1.00 24.14 O ATOM 1799 CB THR A 112 -4.485 -9.654 -24.814 1.00 54.31 C ATOM 1800 OG1 THR A 112 -3.808 -8.484 -24.341 1.00 45.44 O ATOM 1801 CG2 THR A 112 -3.556 -10.456 -25.711 1.00 25.44 C ATOM 0 H THR A 112 -6.548 -8.648 -23.724 1.00 12.41 H new ATOM 0 HA THR A 112 -5.495 -8.611 -26.411 1.00 11.32 H new ATOM 0 HB THR A 112 -4.771 -10.276 -23.965 1.00 54.31 H new ATOM 0 HG1 THR A 112 -4.293 -8.113 -23.574 1.00 45.44 H new ATOM 0 HG21 THR A 112 -2.659 -10.729 -25.155 1.00 25.44 H new ATOM 0 HG22 THR A 112 -4.064 -11.360 -26.046 1.00 25.44 H new ATOM 0 HG23 THR A 112 -3.278 -9.855 -26.577 1.00 25.44 H new ATOM 1809 N GLY A 113 -7.425 -11.004 -25.343 1.00 71.20 N ATOM 1810 CA GLY A 113 -8.142 -12.198 -25.749 1.00 73.32 C ATOM 1811 C GLY A 113 -9.431 -11.879 -26.482 1.00 21.44 C ATOM 1812 O GLY A 113 -10.323 -12.724 -26.582 1.00 2.55 O ATOM 0 H GLY A 113 -7.733 -10.599 -24.459 1.00 71.20 H new ATOM 0 HA2 GLY A 113 -7.502 -12.802 -26.392 1.00 73.32 H new ATOM 0 HA3 GLY A 113 -8.368 -12.800 -24.869 1.00 73.32 H new ATOM 1816 N THR A 114 -9.532 -10.657 -26.994 1.00 71.11 N ATOM 1817 CA THR A 114 -10.723 -10.228 -27.718 1.00 4.12 C ATOM 1818 C THR A 114 -10.355 -9.602 -29.058 1.00 40.03 C ATOM 1819 O THR A 114 -11.094 -8.775 -29.591 1.00 52.40 O ATOM 1820 CB THR A 114 -11.544 -9.215 -26.898 1.00 62.11 C ATOM 1821 OG1 THR A 114 -12.753 -8.889 -27.592 1.00 44.04 O ATOM 1822 CG2 THR A 114 -10.742 -7.948 -26.644 1.00 2.10 C ATOM 0 H THR A 114 -8.804 -9.946 -26.921 1.00 71.11 H new ATOM 0 HA THR A 114 -11.327 -11.119 -27.890 1.00 4.12 H new ATOM 0 HB THR A 114 -11.788 -9.670 -25.938 1.00 62.11 H new ATOM 0 HG1 THR A 114 -12.551 -8.708 -28.534 1.00 44.04 H new ATOM 0 HG21 THR A 114 -11.342 -7.248 -26.063 1.00 2.10 H new ATOM 0 HG22 THR A 114 -9.836 -8.196 -26.090 1.00 2.10 H new ATOM 0 HG23 THR A 114 -10.472 -7.491 -27.596 1.00 2.10 H new ATOM 1830 N ALA A 115 -9.208 -10.001 -29.598 1.00 71.50 N ATOM 1831 CA ALA A 115 -8.744 -9.480 -30.878 1.00 32.42 C ATOM 1832 C ALA A 115 -9.670 -9.905 -32.013 1.00 21.44 C ATOM 1833 O ALA A 115 -9.742 -9.244 -33.048 1.00 4.44 O ATOM 1834 CB ALA A 115 -7.321 -9.946 -31.153 1.00 35.12 C ATOM 0 H ALA A 115 -8.583 -10.683 -29.169 1.00 71.50 H new ATOM 0 HA ALA A 115 -8.755 -8.391 -30.824 1.00 32.42 H new ATOM 0 HB1 ALA A 115 -6.987 -9.550 -32.112 1.00 35.12 H new ATOM 0 HB2 ALA A 115 -6.662 -9.587 -30.363 1.00 35.12 H new ATOM 0 HB3 ALA A 115 -7.294 -11.035 -31.181 1.00 35.12 H new ATOM 1840 N GLU A 116 -10.378 -11.012 -31.809 1.00 62.24 N ATOM 1841 CA GLU A 116 -11.299 -11.525 -32.817 1.00 24.10 C ATOM 1842 C GLU A 116 -12.725 -11.066 -32.534 1.00 32.13 C ATOM 1843 O GLU A 116 -13.690 -11.744 -32.886 1.00 61.33 O ATOM 1844 CB GLU A 116 -11.242 -13.053 -32.861 1.00 72.45 C ATOM 1845 CG GLU A 116 -9.830 -13.608 -32.938 1.00 63.43 C ATOM 1846 CD GLU A 116 -9.064 -13.092 -34.141 1.00 1.32 C ATOM 1847 OE1 GLU A 116 -9.703 -12.822 -35.179 1.00 43.53 O ATOM 1848 OE2 GLU A 116 -7.827 -12.958 -34.042 1.00 44.13 O ATOM 0 H GLU A 116 -10.332 -11.570 -30.956 1.00 62.24 H new ATOM 0 HA GLU A 116 -10.994 -11.130 -33.786 1.00 24.10 H new ATOM 0 HB2 GLU A 116 -11.732 -13.452 -31.973 1.00 72.45 H new ATOM 0 HB3 GLU A 116 -11.809 -13.405 -33.723 1.00 72.45 H new ATOM 0 HG2 GLU A 116 -9.290 -13.345 -32.028 1.00 63.43 H new ATOM 0 HG3 GLU A 116 -9.873 -14.696 -32.979 1.00 63.43 H new ATOM 1855 N LYS A 117 -12.852 -9.909 -31.894 1.00 40.24 N ATOM 1856 CA LYS A 117 -14.160 -9.356 -31.563 1.00 12.03 C ATOM 1857 C LYS A 117 -14.157 -7.836 -31.690 1.00 2.31 C ATOM 1858 O LYS A 117 -14.901 -7.144 -30.996 1.00 52.31 O ATOM 1859 CB LYS A 117 -14.561 -9.758 -30.142 1.00 13.32 C ATOM 1860 CG LYS A 117 -15.970 -10.318 -30.043 1.00 23.21 C ATOM 1861 CD LYS A 117 -16.076 -11.371 -28.953 1.00 25.33 C ATOM 1862 CE LYS A 117 -17.484 -11.444 -28.382 1.00 53.11 C ATOM 1863 NZ LYS A 117 -18.173 -12.707 -28.765 1.00 2.22 N ATOM 0 H LYS A 117 -12.064 -9.335 -31.594 1.00 40.24 H new ATOM 0 HA LYS A 117 -14.886 -9.760 -32.268 1.00 12.03 H new ATOM 0 HB2 LYS A 117 -13.856 -10.502 -29.771 1.00 13.32 H new ATOM 0 HB3 LYS A 117 -14.478 -8.888 -29.490 1.00 13.32 H new ATOM 0 HG2 LYS A 117 -16.671 -9.509 -29.838 1.00 23.21 H new ATOM 0 HG3 LYS A 117 -16.258 -10.753 -31.000 1.00 23.21 H new ATOM 0 HD2 LYS A 117 -15.795 -12.344 -29.357 1.00 25.33 H new ATOM 0 HD3 LYS A 117 -15.370 -11.142 -28.155 1.00 25.33 H new ATOM 0 HE2 LYS A 117 -17.440 -11.370 -27.295 1.00 53.11 H new ATOM 0 HE3 LYS A 117 -18.064 -10.592 -28.736 1.00 53.11 H new ATOM 0 HZ1 LYS A 117 -19.129 -12.718 -28.357 1.00 2.22 H new ATOM 0 HZ2 LYS A 117 -18.238 -12.766 -29.801 1.00 2.22 H new ATOM 0 HZ3 LYS A 117 -17.633 -13.520 -28.405 1.00 2.22 H new ATOM 1877 N MET A 118 -13.317 -7.324 -32.583 1.00 43.32 N ATOM 1878 CA MET A 118 -13.220 -5.885 -32.804 1.00 4.33 C ATOM 1879 C MET A 118 -12.500 -5.583 -34.114 1.00 70.42 C ATOM 1880 O MET A 118 -11.770 -6.414 -34.655 1.00 33.00 O ATOM 1881 CB MET A 118 -12.485 -5.218 -31.639 1.00 42.32 C ATOM 1882 CG MET A 118 -13.397 -4.426 -30.718 1.00 33.14 C ATOM 1883 SD MET A 118 -12.716 -2.815 -30.282 1.00 14.20 S ATOM 1884 CE MET A 118 -14.217 -1.867 -30.041 1.00 4.32 C ATOM 0 H MET A 118 -12.694 -7.883 -33.165 1.00 43.32 H new ATOM 0 HA MET A 118 -14.231 -5.483 -32.865 1.00 4.33 H new ATOM 0 HB2 MET A 118 -11.972 -5.984 -31.058 1.00 42.32 H new ATOM 0 HB3 MET A 118 -11.718 -4.553 -32.037 1.00 42.32 H new ATOM 0 HG2 MET A 118 -14.364 -4.288 -31.202 1.00 33.14 H new ATOM 0 HG3 MET A 118 -13.574 -4.999 -29.808 1.00 33.14 H new ATOM 0 HE1 MET A 118 -13.961 -0.844 -29.766 1.00 4.32 H new ATOM 0 HE2 MET A 118 -14.795 -1.860 -30.965 1.00 4.32 H new ATOM 0 HE3 MET A 118 -14.809 -2.319 -29.246 1.00 4.32 H new ATOM 1894 N PRO A 119 -12.709 -4.366 -34.638 1.00 43.12 N ATOM 1895 CA PRO A 119 -12.089 -3.927 -35.892 1.00 2.32 C ATOM 1896 C PRO A 119 -10.585 -3.716 -35.752 1.00 13.44 C ATOM 1897 O PRO A 119 -10.020 -3.902 -34.674 1.00 20.14 O ATOM 1898 CB PRO A 119 -12.790 -2.598 -36.188 1.00 24.12 C ATOM 1899 CG PRO A 119 -13.237 -2.101 -34.856 1.00 54.00 C ATOM 1900 CD PRO A 119 -13.567 -3.325 -34.047 1.00 5.24 C ATOM 0 HA PRO A 119 -12.200 -4.669 -36.683 1.00 2.32 H new ATOM 0 HB2 PRO A 119 -12.113 -1.891 -36.667 1.00 24.12 H new ATOM 0 HB3 PRO A 119 -13.635 -2.738 -36.862 1.00 24.12 H new ATOM 0 HG2 PRO A 119 -12.454 -1.515 -34.375 1.00 54.00 H new ATOM 0 HG3 PRO A 119 -14.107 -1.451 -34.954 1.00 54.00 H new ATOM 0 HD2 PRO A 119 -13.350 -3.178 -32.989 1.00 5.24 H new ATOM 0 HD3 PRO A 119 -14.623 -3.584 -34.123 1.00 5.24 H new ATOM 1908 N SER A 120 -9.943 -3.326 -36.848 1.00 44.11 N ATOM 1909 CA SER A 120 -8.503 -3.093 -36.848 1.00 73.24 C ATOM 1910 C SER A 120 -8.119 -2.066 -35.787 1.00 43.23 C ATOM 1911 O SER A 120 -8.889 -1.155 -35.481 1.00 23.45 O ATOM 1912 CB SER A 120 -8.043 -2.617 -38.227 1.00 24.14 C ATOM 1913 OG SER A 120 -9.001 -1.756 -38.815 1.00 73.23 O ATOM 0 H SER A 120 -10.397 -3.165 -37.747 1.00 44.11 H new ATOM 0 HA SER A 120 -8.007 -4.034 -36.613 1.00 73.24 H new ATOM 0 HB2 SER A 120 -7.089 -2.097 -38.136 1.00 24.14 H new ATOM 0 HB3 SER A 120 -7.876 -3.477 -38.875 1.00 24.14 H new ATOM 0 HG SER A 120 -8.682 -1.464 -39.695 1.00 73.23 H new ATOM 1919 N THR A 121 -6.921 -2.218 -35.231 1.00 61.41 N ATOM 1920 CA THR A 121 -6.433 -1.307 -34.205 1.00 34.05 C ATOM 1921 C THR A 121 -6.506 0.142 -34.676 1.00 65.44 C ATOM 1922 O THR A 121 -6.417 0.420 -35.872 1.00 23.34 O ATOM 1923 CB THR A 121 -4.983 -1.633 -33.806 1.00 3.15 C ATOM 1924 OG1 THR A 121 -4.347 -2.388 -34.843 1.00 40.52 O ATOM 1925 CG2 THR A 121 -4.944 -2.420 -32.503 1.00 45.24 C ATOM 0 H THR A 121 -6.271 -2.965 -35.475 1.00 61.41 H new ATOM 0 HA THR A 121 -7.078 -1.437 -33.336 1.00 34.05 H new ATOM 0 HB THR A 121 -4.450 -0.693 -33.662 1.00 3.15 H new ATOM 0 HG1 THR A 121 -3.424 -2.590 -34.582 1.00 40.52 H new ATOM 0 HG21 THR A 121 -3.909 -2.639 -32.241 1.00 45.24 H new ATOM 0 HG22 THR A 121 -5.403 -1.831 -31.709 1.00 45.24 H new ATOM 0 HG23 THR A 121 -5.493 -3.354 -32.625 1.00 45.24 H new ATOM 1933 N SER A 122 -6.665 1.061 -33.730 1.00 24.23 N ATOM 1934 CA SER A 122 -6.752 2.481 -34.050 1.00 4.13 C ATOM 1935 C SER A 122 -6.455 3.333 -32.820 1.00 1.32 C ATOM 1936 O SER A 122 -6.234 2.811 -31.727 1.00 35.31 O ATOM 1937 CB SER A 122 -8.139 2.818 -34.596 1.00 54.34 C ATOM 1938 OG SER A 122 -8.093 3.953 -35.443 1.00 24.02 O ATOM 0 H SER A 122 -6.736 0.848 -32.735 1.00 24.23 H new ATOM 0 HA SER A 122 -6.006 2.703 -34.813 1.00 4.13 H new ATOM 0 HB2 SER A 122 -8.533 1.965 -35.148 1.00 54.34 H new ATOM 0 HB3 SER A 122 -8.823 3.006 -33.768 1.00 54.34 H new ATOM 0 HG SER A 122 -8.993 4.146 -35.780 1.00 24.02 H new ATOM 1944 N ARG A 123 -6.452 4.649 -33.007 1.00 71.12 N ATOM 1945 CA ARG A 123 -6.181 5.576 -31.914 1.00 61.40 C ATOM 1946 C ARG A 123 -4.770 5.377 -31.369 1.00 2.12 C ATOM 1947 O ARG A 123 -4.568 5.087 -30.189 1.00 54.44 O ATOM 1948 CB ARG A 123 -7.204 5.386 -30.792 1.00 74.02 C ATOM 1949 CG ARG A 123 -7.370 6.610 -29.906 1.00 4.22 C ATOM 1950 CD ARG A 123 -8.502 6.426 -28.908 1.00 13.35 C ATOM 1951 NE ARG A 123 -8.948 7.699 -28.346 1.00 24.54 N ATOM 1952 CZ ARG A 123 -9.726 8.557 -28.996 1.00 31.23 C ATOM 1953 NH1 ARG A 123 -10.143 8.280 -30.224 1.00 72.10 N ATOM 1954 NH2 ARG A 123 -10.090 9.694 -28.417 1.00 72.01 N ATOM 0 H ARG A 123 -6.634 5.097 -33.905 1.00 71.12 H new ATOM 0 HA ARG A 123 -6.261 6.591 -32.303 1.00 61.40 H new ATOM 0 HB2 ARG A 123 -8.169 5.132 -31.231 1.00 74.02 H new ATOM 0 HB3 ARG A 123 -6.901 4.540 -30.175 1.00 74.02 H new ATOM 0 HG2 ARG A 123 -6.440 6.802 -29.371 1.00 4.22 H new ATOM 0 HG3 ARG A 123 -7.568 7.485 -30.525 1.00 4.22 H new ATOM 0 HD2 ARG A 123 -9.341 5.932 -29.398 1.00 13.35 H new ATOM 0 HD3 ARG A 123 -8.172 5.770 -28.103 1.00 13.35 H new ATOM 0 HE ARG A 123 -8.645 7.942 -27.403 1.00 24.54 H new ATOM 0 HH11 ARG A 123 -9.866 7.406 -30.672 1.00 72.10 H new ATOM 0 HH12 ARG A 123 -10.740 8.941 -30.721 1.00 72.10 H new ATOM 0 HH21 ARG A 123 -9.772 9.910 -27.472 1.00 72.01 H new ATOM 0 HH22 ARG A 123 -10.687 10.352 -28.917 1.00 72.01 H new ATOM 1968 N PRO A 124 -3.769 5.535 -32.247 1.00 63.34 N ATOM 1969 CA PRO A 124 -2.359 5.377 -31.878 1.00 1.15 C ATOM 1970 C PRO A 124 -1.869 6.500 -30.970 1.00 21.23 C ATOM 1971 O PRO A 124 -0.834 6.376 -30.313 1.00 72.33 O ATOM 1972 CB PRO A 124 -1.632 5.423 -33.224 1.00 61.52 C ATOM 1973 CG PRO A 124 -2.537 6.200 -34.117 1.00 42.21 C ATOM 1974 CD PRO A 124 -3.936 5.879 -33.669 1.00 44.14 C ATOM 0 HA PRO A 124 -2.185 4.460 -31.316 1.00 1.15 H new ATOM 0 HB2 PRO A 124 -0.658 5.904 -33.132 1.00 61.52 H new ATOM 0 HB3 PRO A 124 -1.457 4.420 -33.614 1.00 61.52 H new ATOM 0 HG2 PRO A 124 -2.338 7.269 -34.040 1.00 42.21 H new ATOM 0 HG3 PRO A 124 -2.388 5.923 -35.161 1.00 42.21 H new ATOM 0 HD2 PRO A 124 -4.605 6.729 -33.801 1.00 44.14 H new ATOM 0 HD3 PRO A 124 -4.359 5.050 -34.236 1.00 44.14 H new ATOM 1982 N THR A 125 -2.620 7.597 -30.935 1.00 4.02 N ATOM 1983 CA THR A 125 -2.262 8.742 -30.107 1.00 4.30 C ATOM 1984 C THR A 125 -2.009 8.320 -28.664 1.00 60.13 C ATOM 1985 O THR A 125 -2.310 7.191 -28.276 1.00 4.00 O ATOM 1986 CB THR A 125 -3.363 9.818 -30.131 1.00 21.25 C ATOM 1987 OG1 THR A 125 -4.427 9.412 -30.998 1.00 2.20 O ATOM 1988 CG2 THR A 125 -2.804 11.155 -30.595 1.00 34.53 C ATOM 0 H THR A 125 -3.480 7.716 -31.471 1.00 4.02 H new ATOM 0 HA THR A 125 -1.347 9.161 -30.525 1.00 4.30 H new ATOM 0 HB THR A 125 -3.747 9.936 -29.118 1.00 21.25 H new ATOM 0 HG1 THR A 125 -4.136 9.488 -31.931 1.00 2.20 H new ATOM 0 HG21 THR A 125 -3.600 11.899 -30.604 1.00 34.53 H new ATOM 0 HG22 THR A 125 -2.015 11.476 -29.914 1.00 34.53 H new ATOM 0 HG23 THR A 125 -2.395 11.049 -31.600 1.00 34.53 H new ATOM 1996 N ALA A 126 -1.455 9.233 -27.874 1.00 33.03 N ATOM 1997 CA ALA A 126 -1.165 8.956 -26.472 1.00 74.01 C ATOM 1998 C ALA A 126 -2.424 9.072 -25.618 1.00 50.24 C ATOM 1999 O ALA A 126 -3.405 9.711 -25.998 1.00 71.45 O ATOM 2000 CB ALA A 126 -0.088 9.901 -25.959 1.00 62.44 C ATOM 0 H ALA A 126 -1.198 10.171 -28.181 1.00 33.03 H new ATOM 0 HA ALA A 126 -0.800 7.932 -26.397 1.00 74.01 H new ATOM 0 HB1 ALA A 126 0.118 9.683 -24.911 1.00 62.44 H new ATOM 0 HB2 ALA A 126 0.822 9.767 -26.544 1.00 62.44 H new ATOM 0 HB3 ALA A 126 -0.432 10.931 -26.054 1.00 62.44 H new ATOM 2006 N PRO A 127 -2.398 8.439 -24.436 1.00 44.42 N ATOM 2007 CA PRO A 127 -3.528 8.456 -23.503 1.00 72.12 C ATOM 2008 C PRO A 127 -3.740 9.829 -22.874 1.00 43.02 C ATOM 2009 O PRO A 127 -3.110 10.808 -23.272 1.00 51.35 O ATOM 2010 CB PRO A 127 -3.123 7.436 -22.437 1.00 22.34 C ATOM 2011 CG PRO A 127 -1.635 7.409 -22.483 1.00 22.23 C ATOM 2012 CD PRO A 127 -1.261 7.658 -23.918 1.00 50.51 C ATOM 0 HA PRO A 127 -4.470 8.223 -23.999 1.00 72.12 H new ATOM 0 HB2 PRO A 127 -3.483 7.730 -21.451 1.00 22.34 H new ATOM 0 HB3 PRO A 127 -3.543 6.453 -22.650 1.00 22.34 H new ATOM 0 HG2 PRO A 127 -1.210 8.172 -21.831 1.00 22.23 H new ATOM 0 HG3 PRO A 127 -1.251 6.448 -22.141 1.00 22.23 H new ATOM 0 HD2 PRO A 127 -0.324 8.209 -23.999 1.00 50.51 H new ATOM 0 HD3 PRO A 127 -1.131 6.725 -24.467 1.00 50.51 H new ATOM 2020 N SER A 128 -4.631 9.892 -21.889 1.00 44.34 N ATOM 2021 CA SER A 128 -4.928 11.147 -21.208 1.00 42.11 C ATOM 2022 C SER A 128 -3.783 11.545 -20.280 1.00 50.14 C ATOM 2023 O SER A 128 -2.709 10.944 -20.308 1.00 14.00 O ATOM 2024 CB SER A 128 -6.226 11.022 -20.409 1.00 13.31 C ATOM 2025 OG SER A 128 -7.274 10.508 -21.214 1.00 4.51 O ATOM 0 H SER A 128 -5.159 9.090 -21.545 1.00 44.34 H new ATOM 0 HA SER A 128 -5.048 11.923 -21.964 1.00 42.11 H new ATOM 0 HB2 SER A 128 -6.067 10.368 -19.552 1.00 13.31 H new ATOM 0 HB3 SER A 128 -6.510 11.998 -20.016 1.00 13.31 H new ATOM 0 HG SER A 128 -8.092 10.436 -20.679 1.00 4.51 H new ATOM 2031 N SER A 129 -4.022 12.565 -19.461 1.00 21.13 N ATOM 2032 CA SER A 129 -3.010 13.048 -18.528 1.00 73.43 C ATOM 2033 C SER A 129 -2.491 11.910 -17.654 1.00 41.50 C ATOM 2034 O SER A 129 -3.014 10.797 -17.691 1.00 4.51 O ATOM 2035 CB SER A 129 -3.587 14.159 -17.649 1.00 50.54 C ATOM 2036 OG SER A 129 -3.435 15.427 -18.265 1.00 24.43 O ATOM 0 H SER A 129 -4.906 13.072 -19.425 1.00 21.13 H new ATOM 0 HA SER A 129 -2.177 13.448 -19.107 1.00 73.43 H new ATOM 0 HB2 SER A 129 -4.643 13.967 -17.461 1.00 50.54 H new ATOM 0 HB3 SER A 129 -3.086 14.159 -16.681 1.00 50.54 H new ATOM 0 HG SER A 129 -3.813 16.120 -17.684 1.00 24.43 H new ATOM 2042 N GLU A 130 -1.459 12.201 -16.868 1.00 2.24 N ATOM 2043 CA GLU A 130 -0.867 11.202 -15.985 1.00 40.32 C ATOM 2044 C GLU A 130 -0.963 11.641 -14.527 1.00 31.42 C ATOM 2045 O GLU A 130 -1.638 12.619 -14.203 1.00 41.04 O ATOM 2046 CB GLU A 130 0.596 10.960 -16.361 1.00 2.14 C ATOM 2047 CG GLU A 130 0.953 9.489 -16.503 1.00 12.31 C ATOM 2048 CD GLU A 130 2.356 9.180 -16.021 1.00 43.12 C ATOM 2049 OE1 GLU A 130 2.793 9.801 -15.029 1.00 52.33 O ATOM 2050 OE2 GLU A 130 3.019 8.318 -16.635 1.00 71.03 O ATOM 0 H GLU A 130 -1.016 13.119 -16.824 1.00 2.24 H new ATOM 0 HA GLU A 130 -1.424 10.272 -16.104 1.00 40.32 H new ATOM 0 HB2 GLU A 130 0.810 11.469 -17.301 1.00 2.14 H new ATOM 0 HB3 GLU A 130 1.237 11.409 -15.602 1.00 2.14 H new ATOM 0 HG2 GLU A 130 0.239 8.890 -15.938 1.00 12.31 H new ATOM 0 HG3 GLU A 130 0.859 9.196 -17.549 1.00 12.31 H new ATOM 2057 N LYS A 131 -0.285 10.909 -13.648 1.00 73.15 N ATOM 2058 CA LYS A 131 -0.292 11.221 -12.224 1.00 33.22 C ATOM 2059 C LYS A 131 -1.700 11.103 -11.649 1.00 3.20 C ATOM 2060 O LYS A 131 -2.482 12.053 -11.694 1.00 4.53 O ATOM 2061 CB LYS A 131 0.250 12.633 -11.987 1.00 61.52 C ATOM 2062 CG LYS A 131 1.695 12.657 -11.521 1.00 3.51 C ATOM 2063 CD LYS A 131 2.539 13.594 -12.368 1.00 53.32 C ATOM 2064 CE LYS A 131 3.953 13.063 -12.549 1.00 34.34 C ATOM 2065 NZ LYS A 131 4.234 12.705 -13.966 1.00 43.13 N ATOM 0 H LYS A 131 0.277 10.095 -13.898 1.00 73.15 H new ATOM 0 HA LYS A 131 0.351 10.502 -11.717 1.00 33.22 H new ATOM 0 HB2 LYS A 131 0.165 13.206 -12.910 1.00 61.52 H new ATOM 0 HB3 LYS A 131 -0.372 13.132 -11.244 1.00 61.52 H new ATOM 0 HG2 LYS A 131 1.737 12.971 -10.478 1.00 3.51 H new ATOM 0 HG3 LYS A 131 2.110 11.650 -11.567 1.00 3.51 H new ATOM 0 HD2 LYS A 131 2.071 13.725 -13.344 1.00 53.32 H new ATOM 0 HD3 LYS A 131 2.576 14.577 -11.898 1.00 53.32 H new ATOM 0 HE2 LYS A 131 4.669 13.815 -12.216 1.00 34.34 H new ATOM 0 HE3 LYS A 131 4.095 12.186 -11.918 1.00 34.34 H new ATOM 0 HZ1 LYS A 131 5.261 12.626 -14.107 1.00 43.13 H new ATOM 0 HZ2 LYS A 131 3.783 11.795 -14.190 1.00 43.13 H new ATOM 0 HZ3 LYS A 131 3.855 13.443 -14.592 1.00 43.13 H new ATOM 2079 N GLY A 132 -2.016 9.931 -11.107 1.00 34.22 N ATOM 2080 CA GLY A 132 -3.330 9.712 -10.528 1.00 42.21 C ATOM 2081 C GLY A 132 -3.279 9.545 -9.022 1.00 73.51 C ATOM 2082 O GLY A 132 -2.440 10.144 -8.352 1.00 14.11 O ATOM 0 H GLY A 132 -1.387 9.130 -11.058 1.00 34.22 H new ATOM 0 HA2 GLY A 132 -3.978 10.553 -10.776 1.00 42.21 H new ATOM 0 HA3 GLY A 132 -3.777 8.824 -10.974 1.00 42.21 H new ATOM 2086 N GLY A 133 -4.184 8.728 -8.489 1.00 25.25 N ATOM 2087 CA GLY A 133 -4.222 8.500 -7.056 1.00 54.02 C ATOM 2088 C GLY A 133 -5.612 8.684 -6.478 1.00 2.14 C ATOM 2089 O GLY A 133 -6.316 9.631 -6.826 1.00 43.25 O ATOM 0 H GLY A 133 -4.890 8.221 -9.023 1.00 25.25 H new ATOM 0 HA2 GLY A 133 -3.873 7.490 -6.842 1.00 54.02 H new ATOM 0 HA3 GLY A 133 -3.533 9.186 -6.563 1.00 54.02 H new ATOM 2093 N ASN A 134 -6.007 7.776 -5.592 1.00 23.13 N ATOM 2094 CA ASN A 134 -7.322 7.841 -4.966 1.00 14.31 C ATOM 2095 C ASN A 134 -7.423 6.854 -3.806 1.00 43.03 C ATOM 2096 O ASN A 134 -7.064 5.684 -3.941 1.00 62.12 O ATOM 2097 CB ASN A 134 -8.416 7.548 -5.995 1.00 41.31 C ATOM 2098 CG ASN A 134 -8.989 8.812 -6.605 1.00 40.43 C ATOM 2099 OD1 ASN A 134 -8.941 9.884 -6.001 1.00 63.43 O ATOM 2100 ND2 ASN A 134 -9.536 8.693 -7.810 1.00 64.20 N ATOM 0 H ASN A 134 -5.435 6.987 -5.291 1.00 23.13 H new ATOM 0 HA ASN A 134 -7.460 8.849 -4.575 1.00 14.31 H new ATOM 0 HB2 ASN A 134 -8.008 6.919 -6.786 1.00 41.31 H new ATOM 0 HB3 ASN A 134 -9.217 6.982 -5.519 1.00 41.31 H new ATOM 0 HD21 ASN A 134 -9.938 9.510 -8.271 1.00 64.20 H new ATOM 0 HD22 ASN A 134 -9.554 7.785 -8.274 1.00 64.20 H new ATOM 2107 N TYR A 135 -7.913 7.335 -2.669 1.00 62.44 N ATOM 2108 CA TYR A 135 -8.059 6.495 -1.485 1.00 42.12 C ATOM 2109 C TYR A 135 -6.722 5.880 -1.086 1.00 3.12 C ATOM 2110 O TYR A 135 -5.699 6.221 -1.678 1.00 44.11 O ATOM 2111 CB TYR A 135 -9.086 5.391 -1.741 1.00 4.31 C ATOM 2112 CG TYR A 135 -10.507 5.803 -1.436 1.00 14.23 C ATOM 2113 CD1 TYR A 135 -10.846 6.341 -0.200 1.00 41.35 C ATOM 2114 CD2 TYR A 135 -11.514 5.655 -2.383 1.00 50.52 C ATOM 2115 CE1 TYR A 135 -12.144 6.719 0.083 1.00 31.03 C ATOM 2116 CE2 TYR A 135 -12.814 6.032 -2.109 1.00 60.24 C ATOM 2117 CZ TYR A 135 -13.124 6.564 -0.875 1.00 31.50 C ATOM 2118 OH TYR A 135 -14.419 6.938 -0.597 1.00 20.31 O ATOM 0 H TYR A 135 -8.216 8.301 -2.542 1.00 62.44 H new ATOM 0 HA TYR A 135 -8.408 7.123 -0.665 1.00 42.12 H new ATOM 0 HB2 TYR A 135 -9.022 5.082 -2.784 1.00 4.31 H new ATOM 0 HB3 TYR A 135 -8.831 4.522 -1.135 1.00 4.31 H new ATOM 0 HD1 TYR A 135 -10.081 6.466 0.552 1.00 41.35 H new ATOM 0 HD2 TYR A 135 -11.275 5.238 -3.350 1.00 50.52 H new ATOM 0 HE1 TYR A 135 -12.390 7.134 1.049 1.00 31.03 H new ATOM 0 HE2 TYR A 135 -13.584 5.911 -2.857 1.00 60.24 H new ATOM 0 HH TYR A 135 -14.985 6.764 -1.378 1.00 20.31 H new TER 2128 TYR A 135 HETATM 2129 C1 MYR A 1 11.258 7.134 -0.162 1.00 55.25 C HETATM 2130 O2 MYR A 1 12.398 7.091 0.297 1.00 30.12 O HETATM 2131 C2 MYR A 1 10.557 5.817 -0.496 1.00 32.11 C HETATM 2132 C3 MYR A 1 9.354 5.480 0.416 1.00 73.23 C HETATM 2133 C4 MYR A 1 8.095 5.123 -0.395 1.00 61.13 C HETATM 2134 C5 MYR A 1 7.532 6.337 -1.160 1.00 25.24 C HETATM 2135 C6 MYR A 1 6.412 5.939 -2.139 1.00 61.44 C HETATM 2136 C7 MYR A 1 5.290 6.994 -2.199 1.00 62.41 C HETATM 2137 C8 MYR A 1 3.955 6.456 -1.651 1.00 5.13 C HETATM 2138 C9 MYR A 1 3.060 5.877 -2.762 1.00 63.23 C HETATM 2139 C10 MYR A 1 1.763 5.256 -2.204 1.00 72.25 C HETATM 2140 C11 MYR A 1 1.937 3.839 -1.618 1.00 73.33 C HETATM 2141 C12 MYR A 1 0.715 3.323 -0.831 1.00 21.42 C HETATM 2142 C13 MYR A 1 1.120 2.418 0.345 1.00 33.10 C HETATM 2143 C14 MYR A 1 0.634 0.975 0.150 1.00 14.12 C HETATM 0 H143 MYR A 1 -0.453 0.965 0.070 1.00 14.12 H new HETATM 0 H142 MYR A 1 1.069 0.565 -0.762 1.00 14.12 H new HETATM 0 H141 MYR A 1 0.941 0.369 1.003 1.00 14.12 H new HETATM 0 H132 MYR A 1 2.205 2.425 0.451 1.00 33.10 H new HETATM 0 H131 MYR A 1 0.706 2.818 1.271 1.00 33.10 H new HETATM 0 H122 MYR A 1 0.143 4.171 -0.454 1.00 21.42 H new HETATM 0 H121 MYR A 1 0.059 2.770 -1.503 1.00 21.42 H new HETATM 0 H112 MYR A 1 2.150 3.146 -2.432 1.00 73.33 H new HETATM 0 H111 MYR A 1 2.806 3.835 -0.960 1.00 73.33 H new HETATM 0 H102 MYR A 1 1.365 5.911 -1.429 1.00 72.25 H new HETATM 0 H101 MYR A 1 1.020 5.218 -3.001 1.00 72.25 H new HETATM 0 H92 MYR A 1 2.807 6.666 -3.470 1.00 63.23 H new HETATM 0 H91 MYR A 1 3.615 5.119 -3.315 1.00 63.23 H new HETATM 0 H82 MYR A 1 4.154 5.684 -0.908 1.00 5.13 H new HETATM 0 H81 MYR A 1 3.424 7.259 -1.141 1.00 5.13 H new HETATM 0 H72 MYR A 1 5.588 7.872 -1.626 1.00 62.41 H new HETATM 0 H71 MYR A 1 5.153 7.318 -3.231 1.00 62.41 H new HETATM 0 H62 MYR A 1 6.834 5.802 -3.135 1.00 61.44 H new HETATM 0 H61 MYR A 1 5.991 4.980 -1.837 1.00 61.44 H new HETATM 0 H52 MYR A 1 7.147 7.067 -0.448 1.00 25.24 H new HETATM 0 H51 MYR A 1 8.338 6.823 -1.710 1.00 25.24 H new HETATM 0 H42 MYR A 1 8.334 4.329 -1.102 1.00 61.13 H new HETATM 0 H41 MYR A 1 7.331 4.733 0.277 1.00 61.13 H new HETATM 0 H32 MYR A 1 9.615 4.645 1.066 1.00 73.23 H new HETATM 0 H31 MYR A 1 9.139 6.331 1.062 1.00 73.23 H new HETATM 0 H22 MYR A 1 10.213 5.855 -1.530 1.00 32.11 H new HETATM 0 H21 MYR A 1 11.284 5.007 -0.431 1.00 32.11 H new HETATM 2171 P1 PBU A 300 10.124 -11.146 2.492 1.00 42.51 P HETATM 2172 P4 PBU A 300 5.671 -16.616 -2.657 1.00 1.22 P HETATM 2173 P5 PBU A 300 9.860 -16.121 -2.582 1.00 25.40 P HETATM 2174 C3' PBU A 300 12.110 -10.489 1.105 1.00 3.42 C HETATM 2175 C2' PBU A 300 11.924 -9.035 0.605 1.00 40.32 C HETATM 2176 O2' PBU A 300 11.433 -9.076 -0.725 1.00 14.53 O HETATM 2177 C1' PBU A 300 13.251 -8.240 0.629 1.00 45.25 C HETATM 2178 O1' PBU A 300 14.005 -8.558 -0.524 1.00 72.33 O HETATM 2179 C1 PBU A 300 8.695 -12.850 0.580 1.00 51.24 C HETATM 2180 O1 PBU A 300 9.923 -12.354 1.356 1.00 73.02 O HETATM 2181 C2 PBU A 300 7.617 -13.598 1.435 1.00 34.33 C HETATM 2182 O2 PBU A 300 8.146 -14.710 2.151 1.00 3.24 O HETATM 2183 C3 PBU A 300 6.454 -14.084 0.541 1.00 53.41 C HETATM 2184 O3 PBU A 300 5.509 -14.763 1.380 1.00 42.03 O HETATM 2185 C4 PBU A 300 6.975 -15.006 -0.629 1.00 3.34 C HETATM 2186 O4 PBU A 300 5.808 -15.416 -1.508 1.00 24.50 O HETATM 2187 C5 PBU A 300 8.053 -14.206 -1.463 1.00 41.03 C HETATM 2188 O5 PBU A 300 8.581 -15.084 -2.510 1.00 32.45 O HETATM 2189 C6 PBU A 300 9.227 -13.700 -0.588 1.00 70.00 C HETATM 2190 O6 PBU A 300 10.142 -12.876 -1.327 1.00 22.53 O HETATM 2191 C7 PBU A 300 10.045 -9.294 -0.901 1.00 41.22 C HETATM 2192 O7 PBU A 300 9.644 -10.328 -1.389 1.00 53.41 O HETATM 2193 C8 PBU A 300 9.039 -8.219 -0.456 1.00 3.54 C HETATM 2194 C9 PBU A 300 7.873 -8.131 -1.459 1.00 43.10 C HETATM 2195 C10 PBU A 300 6.725 -9.043 -0.990 1.00 43.53 C HETATM 2196 C11 PBU A 300 15.410 -8.671 -0.490 1.00 73.14 C HETATM 2197 O11 PBU A 300 16.134 -8.035 0.249 1.00 3.52 O HETATM 2198 C12 PBU A 300 16.024 -9.649 -1.531 1.00 14.35 C HETATM 2199 C13 PBU A 300 17.546 -9.496 -1.689 1.00 63.12 C HETATM 2200 C14 PBU A 300 18.299 -10.266 -0.590 1.00 32.30 C HETATM 2201 O41 PBU A 300 5.882 -17.828 -1.753 1.00 1.32 O HETATM 2202 O42 PBU A 300 4.279 -16.485 -3.213 1.00 51.22 O HETATM 2203 O43 PBU A 300 6.718 -16.415 -3.741 1.00 73.22 O HETATM 2204 O51 PBU A 300 9.739 -16.604 -4.014 1.00 55.50 O HETATM 2205 O52 PBU A 300 11.048 -15.240 -2.234 1.00 72.41 O HETATM 2206 O53 PBU A 300 9.517 -17.165 -1.544 1.00 20.24 O HETATM 2207 OP1 PBU A 300 11.544 -10.674 2.386 1.00 2.30 O HETATM 2208 OP2 PBU A 300 9.093 -10.100 2.063 1.00 12.22 O HETATM 2209 OP3 PBU A 300 9.897 -11.836 3.812 1.00 42.12 O HETATM 0 H3'2 PBU A 300 11.648 -11.179 0.399 1.00 3.42 H new HETATM 0 H3'1 PBU A 300 13.172 -10.730 1.138 1.00 3.42 H new HETATM 0 H143 PBU A 300 18.010 -9.880 0.388 1.00 32.30 H new HETATM 0 H142 PBU A 300 18.048 -11.325 -0.650 1.00 32.30 H new HETATM 0 H141 PBU A 300 19.373 -10.139 -0.728 1.00 32.30 H new HETATM 0 H132 PBU A 300 17.851 -9.863 -2.669 1.00 63.12 H new HETATM 0 H131 PBU A 300 17.815 -8.440 -1.646 1.00 63.12 H new HETATM 0 H122 PBU A 300 15.798 -10.673 -1.234 1.00 14.35 H new HETATM 0 H121 PBU A 300 15.548 -9.485 -2.498 1.00 14.35 H new HETATM 0 H1'2 PBU A 300 13.047 -7.170 0.661 1.00 45.25 H new HETATM 0 H1'1 PBU A 300 13.818 -8.483 1.527 1.00 45.25 H new HETATM 0 H92 PBU A 300 7.525 -7.101 -1.539 1.00 43.10 H new HETATM 0 H91 PBU A 300 8.209 -8.432 -2.451 1.00 43.10 H new HETATM 0 H82 PBU A 300 8.657 -8.457 0.537 1.00 3.54 H new HETATM 0 H81 PBU A 300 9.538 -7.253 -0.382 1.00 3.54 H new HETATM 0 H6 PBU A 300 9.746 -14.590 -0.231 1.00 70.00 H new HETATM 0 H5 PBU A 300 7.563 -13.330 -1.888 1.00 41.03 H new HETATM 0 H4 PBU A 300 7.434 -15.909 -0.227 1.00 3.34 H new HETATM 0 H3 PBU A 300 5.970 -13.235 0.059 1.00 53.41 H new HETATM 0 H2' PBU A 300 11.223 -8.531 1.270 1.00 40.32 H new HETATM 0 H2 PBU A 300 7.257 -12.873 2.165 1.00 34.33 H new HETATM 0 H13 PBU A 300 7.078 -10.073 -0.933 1.00 43.53 H new HETATM 0 H12 PBU A 300 6.383 -8.721 -0.006 1.00 43.53 H new HETATM 0 H11 PBU A 300 5.899 -8.982 -1.699 1.00 43.53 H new HETATM 0 H1 PBU A 300 8.136 -11.986 0.222 1.00 51.24 H new HETATM 0 H06 PBU A 300 10.733 -13.444 -1.864 1.00 22.53 H new HETATM 0 H03 PBU A 300 4.758 -15.081 0.836 1.00 42.03 H new HETATM 0 H02 PBU A 300 7.444 -15.382 2.276 1.00 3.24 H new