USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 773 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 64 SER OG : rot 180:sc= 0.133 USER MOD Set 1.2: A 98 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 37 LYS NZ :NH3+ -107:sc= 0.537 (180deg=0) USER MOD Set 2.2: A 85 TYR OH : rot 180:sc= -0.0516 USER MOD Single : A 14 HIS : no HD1:sc= -0.103 X(o=-0.1,f=-0.19) USER MOD Single : A 15 GLN : amide:sc= -0.0175 X(o=-0.017,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0457 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 140:sc= 0.168 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0803 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0738 USER MOD Single : A 30 GLN : amide:sc= -0.0176 K(o=-0.018,f=-0.98) USER MOD Single : A 32 THR OG1 : rot 79:sc= 0.21 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 169:sc= 0.299 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -1.35 K(o=-1.4,f=-2.6) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.0425 X(o=-0.043,f=-0.1) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.13 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.00747 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 27 N HIS A 14 1.110 -0.759 -6.728 1.00 34.31 N ATOM 28 CA HIS A 14 1.933 -1.024 -7.902 1.00 43.32 C ATOM 29 C HIS A 14 1.064 -1.289 -9.127 1.00 75.43 C ATOM 30 O HIS A 14 0.133 -2.093 -9.076 1.00 63.51 O ATOM 31 CB HIS A 14 2.854 -2.217 -7.647 1.00 71.53 C ATOM 32 CG HIS A 14 2.119 -3.499 -7.402 1.00 32.12 C ATOM 33 ND1 HIS A 14 1.572 -3.831 -6.180 1.00 41.12 N ATOM 34 CD2 HIS A 14 1.840 -4.532 -8.230 1.00 72.43 C ATOM 35 CE1 HIS A 14 0.990 -5.014 -6.267 1.00 42.34 C ATOM 36 NE2 HIS A 14 1.138 -5.461 -7.501 1.00 40.24 N ATOM 0 HA HIS A 14 2.541 -0.140 -8.095 1.00 43.32 H new ATOM 0 HB2 HIS A 14 3.515 -2.345 -8.504 1.00 71.53 H new ATOM 0 HB3 HIS A 14 3.486 -2.000 -6.786 1.00 71.53 H new ATOM 0 HD2 HIS A 14 2.118 -4.611 -9.271 1.00 72.43 H new ATOM 0 HE1 HIS A 14 0.480 -5.528 -5.466 1.00 42.34 H new ATOM 0 HE2 HIS A 14 0.788 -6.351 -7.855 1.00 40.24 H new ATOM 44 N GLN A 15 1.373 -0.608 -10.226 1.00 13.13 N ATOM 45 CA GLN A 15 0.618 -0.770 -11.463 1.00 12.05 C ATOM 46 C GLN A 15 1.540 -1.142 -12.619 1.00 22.35 C ATOM 47 O GLN A 15 2.570 -0.503 -12.836 1.00 62.33 O ATOM 48 CB GLN A 15 -0.141 0.516 -11.794 1.00 11.21 C ATOM 49 CG GLN A 15 0.766 1.682 -12.154 1.00 73.11 C ATOM 50 CD GLN A 15 0.267 3.002 -11.600 1.00 23.14 C ATOM 51 OE1 GLN A 15 -0.133 3.892 -12.350 1.00 40.31 O ATOM 52 NE2 GLN A 15 0.289 3.135 -10.279 1.00 10.34 N ATOM 0 H GLN A 15 2.141 0.061 -10.285 1.00 13.13 H new ATOM 0 HA GLN A 15 -0.098 -1.579 -11.319 1.00 12.05 H new ATOM 0 HB2 GLN A 15 -0.819 0.324 -12.625 1.00 11.21 H new ATOM 0 HB3 GLN A 15 -0.756 0.795 -10.939 1.00 11.21 H new ATOM 0 HG2 GLN A 15 1.769 1.488 -11.773 1.00 73.11 H new ATOM 0 HG3 GLN A 15 0.845 1.754 -13.239 1.00 73.11 H new ATOM 0 HE21 GLN A 15 0.629 2.371 -9.695 1.00 10.34 H new ATOM 0 HE22 GLN A 15 -0.034 4.001 -9.848 1.00 10.34 H new ATOM 61 N THR A 16 1.165 -2.181 -13.358 1.00 75.31 N ATOM 62 CA THR A 16 1.958 -2.640 -14.491 1.00 25.01 C ATOM 63 C THR A 16 1.068 -3.180 -15.604 1.00 33.01 C ATOM 64 O THR A 16 0.194 -4.014 -15.364 1.00 42.24 O ATOM 65 CB THR A 16 2.957 -3.735 -14.071 1.00 35.44 C ATOM 66 OG1 THR A 16 3.381 -3.519 -12.720 1.00 61.33 O ATOM 67 CG2 THR A 16 4.167 -3.747 -14.992 1.00 73.34 C ATOM 0 H THR A 16 0.316 -2.721 -13.192 1.00 75.31 H new ATOM 0 HA THR A 16 2.511 -1.776 -14.859 1.00 25.01 H new ATOM 0 HB THR A 16 2.456 -4.700 -14.144 1.00 35.44 H new ATOM 0 HG1 THR A 16 4.015 -4.220 -12.460 1.00 61.33 H new ATOM 0 HG21 THR A 16 4.858 -4.528 -14.675 1.00 73.34 H new ATOM 0 HG22 THR A 16 3.844 -3.941 -16.015 1.00 73.34 H new ATOM 0 HG23 THR A 16 4.668 -2.780 -14.947 1.00 73.34 H new ATOM 75 N VAL A 17 1.294 -2.700 -16.823 1.00 25.14 N ATOM 76 CA VAL A 17 0.513 -3.136 -17.974 1.00 22.43 C ATOM 77 C VAL A 17 1.342 -4.023 -18.897 1.00 2.45 C ATOM 78 O VAL A 17 2.556 -3.851 -19.013 1.00 71.44 O ATOM 79 CB VAL A 17 -0.021 -1.936 -18.777 1.00 13.21 C ATOM 80 CG1 VAL A 17 -0.977 -2.403 -19.864 1.00 62.32 C ATOM 81 CG2 VAL A 17 -0.700 -0.937 -17.852 1.00 54.34 C ATOM 0 H VAL A 17 2.012 -2.009 -17.039 1.00 25.14 H new ATOM 0 HA VAL A 17 -0.330 -3.708 -17.586 1.00 22.43 H new ATOM 0 HB VAL A 17 0.822 -1.438 -19.257 1.00 13.21 H new ATOM 0 HG11 VAL A 17 -1.344 -1.541 -20.421 1.00 62.32 H new ATOM 0 HG12 VAL A 17 -0.455 -3.078 -20.542 1.00 62.32 H new ATOM 0 HG13 VAL A 17 -1.818 -2.926 -19.409 1.00 62.32 H new ATOM 0 HG21 VAL A 17 -1.072 -0.095 -18.436 1.00 54.34 H new ATOM 0 HG22 VAL A 17 -1.533 -1.421 -17.342 1.00 54.34 H new ATOM 0 HG23 VAL A 17 0.018 -0.578 -17.114 1.00 54.34 H new ATOM 91 N TYR A 18 0.679 -4.970 -19.551 1.00 2.34 N ATOM 92 CA TYR A 18 1.355 -5.885 -20.462 1.00 70.04 C ATOM 93 C TYR A 18 0.952 -5.610 -21.908 1.00 31.40 C ATOM 94 O TYR A 18 -0.233 -5.580 -22.239 1.00 74.24 O ATOM 95 CB TYR A 18 1.030 -7.334 -20.097 1.00 61.42 C ATOM 96 CG TYR A 18 1.144 -7.626 -18.618 1.00 61.30 C ATOM 97 CD1 TYR A 18 2.321 -8.131 -18.078 1.00 51.13 C ATOM 98 CD2 TYR A 18 0.075 -7.399 -17.760 1.00 41.43 C ATOM 99 CE1 TYR A 18 2.430 -8.400 -16.728 1.00 14.24 C ATOM 100 CE2 TYR A 18 0.175 -7.663 -16.408 1.00 62.12 C ATOM 101 CZ TYR A 18 1.354 -8.164 -15.897 1.00 3.23 C ATOM 102 OH TYR A 18 1.458 -8.430 -14.551 1.00 14.14 O ATOM 0 H TYR A 18 -0.326 -5.124 -19.467 1.00 2.34 H new ATOM 0 HA TYR A 18 2.429 -5.726 -20.366 1.00 70.04 H new ATOM 0 HB2 TYR A 18 0.017 -7.565 -20.427 1.00 61.42 H new ATOM 0 HB3 TYR A 18 1.702 -7.997 -20.642 1.00 61.42 H new ATOM 0 HD1 TYR A 18 3.165 -8.316 -18.726 1.00 51.13 H new ATOM 0 HD2 TYR A 18 -0.851 -7.009 -18.157 1.00 41.43 H new ATOM 0 HE1 TYR A 18 3.352 -8.793 -16.325 1.00 14.24 H new ATOM 0 HE2 TYR A 18 -0.665 -7.478 -15.755 1.00 62.12 H new ATOM 0 HH TYR A 18 0.613 -8.208 -14.107 1.00 14.14 H new ATOM 112 N VAL A 19 1.948 -5.411 -22.766 1.00 32.05 N ATOM 113 CA VAL A 19 1.699 -5.141 -24.176 1.00 42.45 C ATOM 114 C VAL A 19 2.518 -6.069 -25.067 1.00 2.45 C ATOM 115 O VAL A 19 3.623 -6.477 -24.707 1.00 73.12 O ATOM 116 CB VAL A 19 2.030 -3.680 -24.535 1.00 1.43 C ATOM 117 CG1 VAL A 19 1.605 -3.370 -25.962 1.00 64.31 C ATOM 118 CG2 VAL A 19 1.364 -2.727 -23.553 1.00 44.13 C ATOM 0 H VAL A 19 2.935 -5.432 -22.508 1.00 32.05 H new ATOM 0 HA VAL A 19 0.638 -5.319 -24.349 1.00 42.45 H new ATOM 0 HB VAL A 19 3.109 -3.543 -24.466 1.00 1.43 H new ATOM 0 HG11 VAL A 19 1.847 -2.333 -26.197 1.00 64.31 H new ATOM 0 HG12 VAL A 19 2.132 -4.031 -26.650 1.00 64.31 H new ATOM 0 HG13 VAL A 19 0.531 -3.523 -26.063 1.00 64.31 H new ATOM 0 HG21 VAL A 19 1.608 -1.699 -23.821 1.00 44.13 H new ATOM 0 HG22 VAL A 19 0.283 -2.864 -23.589 1.00 44.13 H new ATOM 0 HG23 VAL A 19 1.723 -2.934 -22.545 1.00 44.13 H new ATOM 128 N LYS A 20 1.970 -6.398 -26.231 1.00 71.31 N ATOM 129 CA LYS A 20 2.649 -7.277 -27.176 1.00 22.24 C ATOM 130 C LYS A 20 4.069 -6.790 -27.448 1.00 53.32 C ATOM 131 O LYS A 20 4.391 -5.614 -27.274 1.00 23.41 O ATOM 132 CB LYS A 20 1.864 -7.354 -28.487 1.00 64.42 C ATOM 133 CG LYS A 20 1.375 -6.005 -28.983 1.00 51.14 C ATOM 134 CD LYS A 20 1.620 -5.836 -30.473 1.00 64.14 C ATOM 135 CE LYS A 20 2.707 -4.807 -30.746 1.00 74.02 C ATOM 136 NZ LYS A 20 3.417 -5.077 -32.027 1.00 3.22 N ATOM 0 H LYS A 20 1.056 -6.069 -26.543 1.00 71.31 H new ATOM 0 HA LYS A 20 2.704 -8.272 -26.734 1.00 22.24 H new ATOM 0 HB2 LYS A 20 2.495 -7.806 -29.252 1.00 64.42 H new ATOM 0 HB3 LYS A 20 1.007 -8.014 -28.349 1.00 64.42 H new ATOM 0 HG2 LYS A 20 0.310 -5.904 -28.775 1.00 51.14 H new ATOM 0 HG3 LYS A 20 1.883 -5.210 -28.437 1.00 51.14 H new ATOM 0 HD2 LYS A 20 1.907 -6.794 -30.907 1.00 64.14 H new ATOM 0 HD3 LYS A 20 0.696 -5.529 -30.962 1.00 64.14 H new ATOM 0 HE2 LYS A 20 2.265 -3.811 -30.779 1.00 74.02 H new ATOM 0 HE3 LYS A 20 3.424 -4.810 -29.925 1.00 74.02 H new ATOM 0 HZ1 LYS A 20 3.600 -4.179 -32.519 1.00 3.22 H new ATOM 0 HZ2 LYS A 20 4.320 -5.554 -31.830 1.00 3.22 H new ATOM 0 HZ3 LYS A 20 2.828 -5.687 -32.629 1.00 3.22 H new ATOM 150 N PRO A 21 4.938 -7.712 -27.888 1.00 12.13 N ATOM 151 CA PRO A 21 6.336 -7.398 -28.196 1.00 23.32 C ATOM 152 C PRO A 21 6.475 -6.531 -29.443 1.00 30.44 C ATOM 153 O PRO A 21 5.512 -6.335 -30.184 1.00 43.43 O ATOM 154 CB PRO A 21 6.965 -8.774 -28.429 1.00 23.35 C ATOM 155 CG PRO A 21 5.831 -9.643 -28.852 1.00 2.50 C ATOM 156 CD PRO A 21 4.622 -9.132 -28.118 1.00 42.44 C ATOM 0 HA PRO A 21 6.810 -6.826 -27.398 1.00 23.32 H new ATOM 0 HB2 PRO A 21 7.738 -8.731 -29.196 1.00 23.35 H new ATOM 0 HB3 PRO A 21 7.437 -9.152 -27.522 1.00 23.35 H new ATOM 0 HG2 PRO A 21 5.683 -9.593 -29.931 1.00 2.50 H new ATOM 0 HG3 PRO A 21 6.026 -10.687 -28.605 1.00 2.50 H new ATOM 0 HD2 PRO A 21 3.713 -9.251 -28.708 1.00 42.44 H new ATOM 0 HD3 PRO A 21 4.465 -9.666 -27.181 1.00 42.44 H new ATOM 164 N VAL A 22 7.679 -6.015 -29.668 1.00 61.52 N ATOM 165 CA VAL A 22 7.944 -5.171 -30.827 1.00 1.34 C ATOM 166 C VAL A 22 8.811 -5.896 -31.849 1.00 60.42 C ATOM 167 O VAL A 22 9.559 -6.818 -31.523 1.00 61.32 O ATOM 168 CB VAL A 22 8.641 -3.859 -30.417 1.00 71.43 C ATOM 169 CG1 VAL A 22 7.649 -2.908 -29.767 1.00 14.31 C ATOM 170 CG2 VAL A 22 9.808 -4.145 -29.484 1.00 71.54 C ATOM 0 H VAL A 22 8.486 -6.167 -29.063 1.00 61.52 H new ATOM 0 HA VAL A 22 6.979 -4.937 -31.276 1.00 1.34 H new ATOM 0 HB VAL A 22 9.032 -3.380 -31.315 1.00 71.43 H new ATOM 0 HG11 VAL A 22 8.159 -1.987 -29.484 1.00 14.31 H new ATOM 0 HG12 VAL A 22 6.850 -2.678 -30.472 1.00 14.31 H new ATOM 0 HG13 VAL A 22 7.225 -3.376 -28.878 1.00 14.31 H new ATOM 0 HG21 VAL A 22 10.289 -3.207 -29.205 1.00 71.54 H new ATOM 0 HG22 VAL A 22 9.443 -4.647 -28.588 1.00 71.54 H new ATOM 0 HG23 VAL A 22 10.530 -4.786 -29.990 1.00 71.54 H new ATOM 180 N PRO A 23 8.710 -5.472 -33.118 1.00 5.04 N ATOM 181 CA PRO A 23 9.479 -6.067 -34.215 1.00 22.12 C ATOM 182 C PRO A 23 10.967 -5.745 -34.122 1.00 32.12 C ATOM 183 O PRO A 23 11.393 -4.886 -33.350 1.00 25.23 O ATOM 184 CB PRO A 23 8.870 -5.425 -35.464 1.00 2.03 C ATOM 185 CG PRO A 23 8.304 -4.132 -34.987 1.00 73.21 C ATOM 186 CD PRO A 23 7.839 -4.378 -33.578 1.00 70.03 C ATOM 0 HA PRO A 23 9.423 -7.156 -34.208 1.00 22.12 H new ATOM 0 HB2 PRO A 23 9.624 -5.267 -36.235 1.00 2.03 H new ATOM 0 HB3 PRO A 23 8.097 -6.059 -35.899 1.00 2.03 H new ATOM 0 HG2 PRO A 23 9.055 -3.342 -35.018 1.00 73.21 H new ATOM 0 HG3 PRO A 23 7.477 -3.811 -35.620 1.00 73.21 H new ATOM 0 HD2 PRO A 23 7.949 -3.489 -32.957 1.00 70.03 H new ATOM 0 HD3 PRO A 23 6.787 -4.661 -33.546 1.00 70.03 H new ATOM 194 N PRO A 24 11.777 -6.449 -34.927 1.00 11.34 N ATOM 195 CA PRO A 24 13.230 -6.254 -34.954 1.00 35.02 C ATOM 196 C PRO A 24 13.623 -4.914 -35.566 1.00 65.20 C ATOM 197 O PRO A 24 14.744 -4.439 -35.378 1.00 12.53 O ATOM 198 CB PRO A 24 13.726 -7.408 -35.828 1.00 73.14 C ATOM 199 CG PRO A 24 12.566 -7.750 -36.699 1.00 12.34 C ATOM 200 CD PRO A 24 11.337 -7.488 -35.872 1.00 60.14 C ATOM 0 HA PRO A 24 13.659 -6.245 -33.952 1.00 35.02 H new ATOM 0 HB2 PRO A 24 14.592 -7.112 -36.420 1.00 73.14 H new ATOM 0 HB3 PRO A 24 14.031 -8.261 -35.222 1.00 73.14 H new ATOM 0 HG2 PRO A 24 12.565 -7.142 -37.604 1.00 12.34 H new ATOM 0 HG3 PRO A 24 12.609 -8.792 -37.015 1.00 12.34 H new ATOM 0 HD2 PRO A 24 10.505 -7.146 -36.487 1.00 60.14 H new ATOM 0 HD3 PRO A 24 11.002 -8.387 -35.354 1.00 60.14 H new ATOM 208 N THR A 25 12.695 -4.308 -36.300 1.00 63.21 N ATOM 209 CA THR A 25 12.946 -3.023 -36.941 1.00 31.35 C ATOM 210 C THR A 25 12.717 -1.871 -35.969 1.00 53.14 C ATOM 211 O THR A 25 13.527 -0.948 -35.884 1.00 74.31 O ATOM 212 CB THR A 25 12.046 -2.826 -38.175 1.00 41.01 C ATOM 213 OG1 THR A 25 11.142 -3.929 -38.304 1.00 22.02 O ATOM 214 CG2 THR A 25 12.882 -2.699 -39.439 1.00 44.25 C ATOM 0 H THR A 25 11.762 -4.687 -36.465 1.00 63.21 H new ATOM 0 HA THR A 25 13.989 -3.025 -37.258 1.00 31.35 H new ATOM 0 HB THR A 25 11.478 -1.906 -38.039 1.00 41.01 H new ATOM 0 HG1 THR A 25 10.572 -3.795 -39.090 1.00 22.02 H new ATOM 0 HG21 THR A 25 12.225 -2.561 -40.298 1.00 44.25 H new ATOM 0 HG22 THR A 25 13.548 -1.841 -39.350 1.00 44.25 H new ATOM 0 HG23 THR A 25 13.473 -3.604 -39.577 1.00 44.25 H new ATOM 222 N ALA A 26 11.608 -1.931 -35.238 1.00 45.34 N ATOM 223 CA ALA A 26 11.275 -0.893 -34.271 1.00 14.11 C ATOM 224 C ALA A 26 12.375 -0.741 -33.227 1.00 24.24 C ATOM 225 O ALA A 26 12.570 -1.616 -32.382 1.00 13.12 O ATOM 226 CB ALA A 26 9.946 -1.206 -33.598 1.00 41.14 C ATOM 0 H ALA A 26 10.926 -2.687 -35.298 1.00 45.34 H new ATOM 0 HA ALA A 26 11.186 0.052 -34.806 1.00 14.11 H new ATOM 0 HB1 ALA A 26 9.709 -0.423 -32.878 1.00 41.14 H new ATOM 0 HB2 ALA A 26 9.160 -1.256 -34.351 1.00 41.14 H new ATOM 0 HB3 ALA A 26 10.016 -2.164 -33.082 1.00 41.14 H new ATOM 232 N THR A 27 13.095 0.375 -33.290 1.00 23.20 N ATOM 233 CA THR A 27 14.178 0.640 -32.351 1.00 41.23 C ATOM 234 C THR A 27 13.649 1.261 -31.063 1.00 64.32 C ATOM 235 O THR A 27 12.454 1.532 -30.938 1.00 4.15 O ATOM 236 CB THR A 27 15.235 1.579 -32.964 1.00 20.43 C ATOM 237 OG1 THR A 27 14.695 2.897 -33.107 1.00 5.35 O ATOM 238 CG2 THR A 27 15.695 1.064 -34.319 1.00 63.11 C ATOM 0 H THR A 27 12.947 1.110 -33.982 1.00 23.20 H new ATOM 0 HA THR A 27 14.642 -0.320 -32.124 1.00 41.23 H new ATOM 0 HB THR A 27 16.094 1.610 -32.294 1.00 20.43 H new ATOM 0 HG1 THR A 27 15.373 3.488 -33.496 1.00 5.35 H new ATOM 0 HG21 THR A 27 16.441 1.743 -34.732 1.00 63.11 H new ATOM 0 HG22 THR A 27 16.132 0.072 -34.202 1.00 63.11 H new ATOM 0 HG23 THR A 27 14.842 1.007 -34.995 1.00 63.11 H new ATOM 246 N LEU A 28 14.546 1.484 -30.108 1.00 74.14 N ATOM 247 CA LEU A 28 14.169 2.074 -28.829 1.00 0.15 C ATOM 248 C LEU A 28 13.822 3.550 -28.991 1.00 13.52 C ATOM 249 O LEU A 28 12.830 4.028 -28.440 1.00 45.31 O ATOM 250 CB LEU A 28 15.305 1.914 -27.817 1.00 21.12 C ATOM 251 CG LEU A 28 14.888 1.549 -26.392 1.00 2.55 C ATOM 252 CD1 LEU A 28 15.909 0.617 -25.759 1.00 21.42 C ATOM 253 CD2 LEU A 28 14.716 2.805 -25.549 1.00 32.22 C ATOM 0 H LEU A 28 15.538 1.265 -30.196 1.00 74.14 H new ATOM 0 HA LEU A 28 13.286 1.551 -28.462 1.00 0.15 H new ATOM 0 HB2 LEU A 28 15.985 1.145 -28.183 1.00 21.12 H new ATOM 0 HB3 LEU A 28 15.868 2.847 -27.782 1.00 21.12 H new ATOM 0 HG LEU A 28 13.931 1.030 -26.436 1.00 2.55 H new ATOM 0 HD11 LEU A 28 15.595 0.368 -24.745 1.00 21.42 H new ATOM 0 HD12 LEU A 28 15.984 -0.296 -26.350 1.00 21.42 H new ATOM 0 HD13 LEU A 28 16.881 1.110 -25.727 1.00 21.42 H new ATOM 0 HD21 LEU A 28 14.419 2.527 -24.538 1.00 32.22 H new ATOM 0 HD22 LEU A 28 15.659 3.351 -25.513 1.00 32.22 H new ATOM 0 HD23 LEU A 28 13.947 3.438 -25.992 1.00 32.22 H new ATOM 265 N GLU A 29 14.644 4.266 -29.752 1.00 14.41 N ATOM 266 CA GLU A 29 14.421 5.688 -29.987 1.00 45.24 C ATOM 267 C GLU A 29 13.087 5.921 -30.691 1.00 4.34 C ATOM 268 O GLU A 29 12.362 6.862 -30.370 1.00 41.53 O ATOM 269 CB GLU A 29 15.561 6.273 -30.824 1.00 51.35 C ATOM 270 CG GLU A 29 15.700 7.781 -30.694 1.00 73.24 C ATOM 271 CD GLU A 29 16.917 8.187 -29.887 1.00 1.02 C ATOM 272 OE1 GLU A 29 16.817 8.226 -28.643 1.00 13.25 O ATOM 273 OE2 GLU A 29 17.969 8.466 -30.498 1.00 64.13 O ATOM 0 H GLU A 29 15.469 3.885 -30.216 1.00 14.41 H new ATOM 0 HA GLU A 29 14.394 6.190 -29.020 1.00 45.24 H new ATOM 0 HB2 GLU A 29 16.498 5.803 -30.525 1.00 51.35 H new ATOM 0 HB3 GLU A 29 15.398 6.021 -31.872 1.00 51.35 H new ATOM 0 HG2 GLU A 29 15.764 8.223 -31.688 1.00 73.24 H new ATOM 0 HG3 GLU A 29 14.804 8.185 -30.222 1.00 73.24 H new ATOM 280 N GLN A 30 12.772 5.058 -31.650 1.00 63.44 N ATOM 281 CA GLN A 30 11.527 5.170 -32.400 1.00 14.12 C ATOM 282 C GLN A 30 10.324 4.904 -31.500 1.00 61.23 C ATOM 283 O GLN A 30 9.346 5.652 -31.516 1.00 73.12 O ATOM 284 CB GLN A 30 11.525 4.193 -33.577 1.00 33.25 C ATOM 285 CG GLN A 30 10.397 4.435 -34.567 1.00 1.12 C ATOM 286 CD GLN A 30 10.800 5.367 -35.693 1.00 74.41 C ATOM 287 OE1 GLN A 30 11.813 6.061 -35.608 1.00 12.14 O ATOM 288 NE2 GLN A 30 10.006 5.386 -36.758 1.00 2.13 N ATOM 0 H GLN A 30 13.362 4.273 -31.926 1.00 63.44 H new ATOM 0 HA GLN A 30 11.453 6.188 -32.783 1.00 14.12 H new ATOM 0 HB2 GLN A 30 12.478 4.266 -34.100 1.00 33.25 H new ATOM 0 HB3 GLN A 30 11.449 3.175 -33.194 1.00 33.25 H new ATOM 0 HG2 GLN A 30 10.076 3.482 -34.987 1.00 1.12 H new ATOM 0 HG3 GLN A 30 9.540 4.856 -34.041 1.00 1.12 H new ATOM 0 HE21 GLN A 30 9.176 4.794 -36.786 1.00 2.13 H new ATOM 0 HE22 GLN A 30 10.226 5.993 -37.548 1.00 2.13 H new ATOM 297 N LEU A 31 10.403 3.834 -30.717 1.00 61.21 N ATOM 298 CA LEU A 31 9.321 3.468 -29.810 1.00 73.10 C ATOM 299 C LEU A 31 9.031 4.596 -28.825 1.00 21.11 C ATOM 300 O LEU A 31 7.893 5.049 -28.699 1.00 51.15 O ATOM 301 CB LEU A 31 9.677 2.190 -29.049 1.00 73.40 C ATOM 302 CG LEU A 31 9.178 0.881 -29.664 1.00 45.43 C ATOM 303 CD1 LEU A 31 9.871 -0.309 -29.020 1.00 34.35 C ATOM 304 CD2 LEU A 31 7.668 0.765 -29.520 1.00 1.31 C ATOM 0 H LEU A 31 11.205 3.205 -30.692 1.00 61.21 H new ATOM 0 HA LEU A 31 8.425 3.291 -30.405 1.00 73.10 H new ATOM 0 HB2 LEU A 31 10.762 2.135 -28.958 1.00 73.40 H new ATOM 0 HB3 LEU A 31 9.276 2.269 -28.038 1.00 73.40 H new ATOM 0 HG LEU A 31 9.421 0.885 -30.727 1.00 45.43 H new ATOM 0 HD11 LEU A 31 9.504 -1.231 -29.470 1.00 34.35 H new ATOM 0 HD12 LEU A 31 10.947 -0.232 -29.177 1.00 34.35 H new ATOM 0 HD13 LEU A 31 9.660 -0.318 -27.951 1.00 34.35 H new ATOM 0 HD21 LEU A 31 7.331 -0.172 -29.963 1.00 1.31 H new ATOM 0 HD22 LEU A 31 7.401 0.784 -28.463 1.00 1.31 H new ATOM 0 HD23 LEU A 31 7.189 1.600 -30.030 1.00 1.31 H new ATOM 316 N THR A 32 10.069 5.047 -28.128 1.00 44.40 N ATOM 317 CA THR A 32 9.927 6.123 -27.155 1.00 23.00 C ATOM 318 C THR A 32 9.362 7.381 -27.804 1.00 72.24 C ATOM 319 O THR A 32 8.450 8.010 -27.269 1.00 30.12 O ATOM 320 CB THR A 32 11.276 6.463 -26.492 1.00 74.13 C ATOM 321 OG1 THR A 32 11.804 5.306 -25.835 1.00 31.32 O ATOM 322 CG2 THR A 32 11.115 7.594 -25.488 1.00 1.10 C ATOM 0 H THR A 32 11.018 4.684 -28.219 1.00 44.40 H new ATOM 0 HA THR A 32 9.234 5.769 -26.392 1.00 23.00 H new ATOM 0 HB THR A 32 11.968 6.785 -27.270 1.00 74.13 H new ATOM 0 HG1 THR A 32 12.222 4.716 -26.497 1.00 31.32 H new ATOM 0 HG21 THR A 32 12.080 7.817 -25.033 1.00 1.10 H new ATOM 0 HG22 THR A 32 10.741 8.482 -25.997 1.00 1.10 H new ATOM 0 HG23 THR A 32 10.409 7.295 -24.713 1.00 1.10 H new ATOM 330 N GLU A 33 9.909 7.741 -28.961 1.00 74.14 N ATOM 331 CA GLU A 33 9.457 8.925 -29.683 1.00 61.22 C ATOM 332 C GLU A 33 7.948 8.882 -29.908 1.00 44.34 C ATOM 333 O GLU A 33 7.224 9.793 -29.508 1.00 13.35 O ATOM 334 CB GLU A 33 10.181 9.038 -31.026 1.00 64.43 C ATOM 335 CG GLU A 33 9.742 10.232 -31.856 1.00 44.31 C ATOM 336 CD GLU A 33 10.890 10.868 -32.617 1.00 22.34 C ATOM 337 OE1 GLU A 33 11.803 11.416 -31.963 1.00 73.42 O ATOM 338 OE2 GLU A 33 10.876 10.817 -33.864 1.00 50.51 O ATOM 0 H GLU A 33 10.665 7.231 -29.418 1.00 74.14 H new ATOM 0 HA GLU A 33 9.692 9.800 -29.077 1.00 61.22 H new ATOM 0 HB2 GLU A 33 11.254 9.106 -30.846 1.00 64.43 H new ATOM 0 HB3 GLU A 33 10.011 8.126 -31.599 1.00 64.43 H new ATOM 0 HG2 GLU A 33 8.974 9.916 -32.562 1.00 44.31 H new ATOM 0 HG3 GLU A 33 9.288 10.977 -31.202 1.00 44.31 H new ATOM 345 N PHE A 34 7.482 7.818 -30.553 1.00 62.03 N ATOM 346 CA PHE A 34 6.060 7.656 -30.834 1.00 4.30 C ATOM 347 C PHE A 34 5.240 7.731 -29.549 1.00 44.23 C ATOM 348 O PHE A 34 4.196 8.381 -29.503 1.00 74.12 O ATOM 349 CB PHE A 34 5.806 6.322 -31.537 1.00 63.55 C ATOM 350 CG PHE A 34 5.713 6.440 -33.032 1.00 25.31 C ATOM 351 CD1 PHE A 34 6.796 6.885 -33.773 1.00 53.34 C ATOM 352 CD2 PHE A 34 4.544 6.106 -33.695 1.00 73.42 C ATOM 353 CE1 PHE A 34 6.714 6.995 -35.149 1.00 31.21 C ATOM 354 CE2 PHE A 34 4.456 6.213 -35.070 1.00 61.33 C ATOM 355 CZ PHE A 34 5.542 6.659 -35.798 1.00 0.01 C ATOM 0 H PHE A 34 8.068 7.055 -30.891 1.00 62.03 H new ATOM 0 HA PHE A 34 5.750 8.469 -31.490 1.00 4.30 H new ATOM 0 HB2 PHE A 34 6.608 5.629 -31.285 1.00 63.55 H new ATOM 0 HB3 PHE A 34 4.880 5.890 -31.156 1.00 63.55 H new ATOM 0 HD1 PHE A 34 7.715 7.149 -33.270 1.00 53.34 H new ATOM 0 HD2 PHE A 34 3.691 5.758 -33.131 1.00 73.42 H new ATOM 0 HE1 PHE A 34 7.565 7.343 -35.715 1.00 31.21 H new ATOM 0 HE2 PHE A 34 3.539 5.948 -35.575 1.00 61.33 H new ATOM 0 HZ PHE A 34 5.475 6.745 -36.872 1.00 0.01 H new ATOM 365 N PHE A 35 5.722 7.061 -28.508 1.00 35.15 N ATOM 366 CA PHE A 35 5.033 7.049 -27.222 1.00 4.31 C ATOM 367 C PHE A 35 4.769 8.471 -26.734 1.00 33.31 C ATOM 368 O PHE A 35 3.637 8.824 -26.404 1.00 11.43 O ATOM 369 CB PHE A 35 5.860 6.287 -26.184 1.00 11.31 C ATOM 370 CG PHE A 35 5.318 4.922 -25.871 1.00 60.34 C ATOM 371 CD1 PHE A 35 4.183 4.774 -25.090 1.00 4.20 C ATOM 372 CD2 PHE A 35 5.944 3.786 -26.359 1.00 33.53 C ATOM 373 CE1 PHE A 35 3.682 3.519 -24.801 1.00 11.12 C ATOM 374 CE2 PHE A 35 5.447 2.528 -26.073 1.00 74.12 C ATOM 375 CZ PHE A 35 4.315 2.394 -25.292 1.00 41.53 C ATOM 0 H PHE A 35 6.586 6.520 -28.529 1.00 35.15 H new ATOM 0 HA PHE A 35 4.076 6.545 -27.355 1.00 4.31 H new ATOM 0 HB2 PHE A 35 6.883 6.188 -26.547 1.00 11.31 H new ATOM 0 HB3 PHE A 35 5.903 6.872 -25.265 1.00 11.31 H new ATOM 0 HD1 PHE A 35 3.684 5.650 -24.703 1.00 4.20 H new ATOM 0 HD2 PHE A 35 6.830 3.884 -26.969 1.00 33.53 H new ATOM 0 HE1 PHE A 35 2.796 3.418 -24.192 1.00 11.12 H new ATOM 0 HE2 PHE A 35 5.943 1.650 -26.460 1.00 74.12 H new ATOM 0 HZ PHE A 35 3.926 1.412 -25.066 1.00 41.53 H new ATOM 385 N SER A 36 5.822 9.281 -26.691 1.00 34.22 N ATOM 386 CA SER A 36 5.705 10.662 -26.239 1.00 41.41 C ATOM 387 C SER A 36 4.741 11.444 -27.126 1.00 42.52 C ATOM 388 O SER A 36 3.974 12.279 -26.646 1.00 5.43 O ATOM 389 CB SER A 36 7.078 11.338 -26.238 1.00 14.31 C ATOM 390 OG SER A 36 7.695 11.238 -24.966 1.00 75.42 O ATOM 0 H SER A 36 6.765 9.005 -26.964 1.00 34.22 H new ATOM 0 HA SER A 36 5.311 10.654 -25.223 1.00 41.41 H new ATOM 0 HB2 SER A 36 7.715 10.876 -26.992 1.00 14.31 H new ATOM 0 HB3 SER A 36 6.970 12.388 -26.512 1.00 14.31 H new ATOM 0 HG SER A 36 8.571 11.676 -24.992 1.00 75.42 H new ATOM 396 N LYS A 37 4.786 11.168 -28.425 1.00 71.11 N ATOM 397 CA LYS A 37 3.917 11.843 -29.382 1.00 21.01 C ATOM 398 C LYS A 37 2.448 11.607 -29.044 1.00 5.44 C ATOM 399 O LYS A 37 1.611 12.493 -29.220 1.00 33.40 O ATOM 400 CB LYS A 37 4.209 11.352 -30.802 1.00 3.53 C ATOM 401 CG LYS A 37 3.244 11.893 -31.843 1.00 21.34 C ATOM 402 CD LYS A 37 2.095 10.930 -32.091 1.00 24.41 C ATOM 403 CE LYS A 37 0.749 11.627 -31.977 1.00 14.24 C ATOM 404 NZ LYS A 37 -0.264 11.032 -32.892 1.00 61.11 N ATOM 0 H LYS A 37 5.416 10.481 -28.840 1.00 71.11 H new ATOM 0 HA LYS A 37 4.118 12.913 -29.325 1.00 21.01 H new ATOM 0 HB2 LYS A 37 5.224 11.640 -31.075 1.00 3.53 H new ATOM 0 HB3 LYS A 37 4.172 10.263 -30.816 1.00 3.53 H new ATOM 0 HG2 LYS A 37 2.850 12.853 -31.511 1.00 21.34 H new ATOM 0 HG3 LYS A 37 3.777 12.073 -32.776 1.00 21.34 H new ATOM 0 HD2 LYS A 37 2.195 10.490 -33.083 1.00 24.41 H new ATOM 0 HD3 LYS A 37 2.144 10.111 -31.373 1.00 24.41 H new ATOM 0 HE2 LYS A 37 0.392 11.562 -30.949 1.00 14.24 H new ATOM 0 HE3 LYS A 37 0.868 12.686 -32.207 1.00 14.24 H new ATOM 0 HZ1 LYS A 37 -0.441 11.682 -33.684 1.00 61.11 H new ATOM 0 HZ2 LYS A 37 0.090 10.126 -33.260 1.00 61.11 H new ATOM 0 HZ3 LYS A 37 -1.150 10.871 -32.372 1.00 61.11 H new ATOM 418 N HIS A 38 2.143 10.409 -28.555 1.00 40.44 N ATOM 419 CA HIS A 38 0.775 10.059 -28.190 1.00 61.32 C ATOM 420 C HIS A 38 0.750 9.233 -26.908 1.00 31.52 C ATOM 421 O HIS A 38 1.184 8.082 -26.890 1.00 63.34 O ATOM 422 CB HIS A 38 0.105 9.282 -29.324 1.00 42.12 C ATOM 423 CG HIS A 38 -1.384 9.436 -29.357 1.00 72.13 C ATOM 424 ND1 HIS A 38 -2.252 8.446 -28.947 1.00 53.22 N ATOM 425 CD2 HIS A 38 -2.159 10.473 -29.753 1.00 44.13 C ATOM 426 CE1 HIS A 38 -3.496 8.867 -29.091 1.00 52.22 C ATOM 427 NE2 HIS A 38 -3.467 10.095 -29.578 1.00 61.43 N ATOM 0 H HIS A 38 2.824 9.665 -28.403 1.00 40.44 H new ATOM 0 HA HIS A 38 0.223 10.983 -28.017 1.00 61.32 H new ATOM 0 HB2 HIS A 38 0.518 9.616 -30.276 1.00 42.12 H new ATOM 0 HB3 HIS A 38 0.351 8.225 -29.224 1.00 42.12 H new ATOM 0 HD2 HIS A 38 -1.812 11.422 -30.136 1.00 44.13 H new ATOM 0 HE1 HIS A 38 -4.385 8.303 -28.851 1.00 52.22 H new ATOM 0 HE2 HIS A 38 -4.283 10.669 -29.789 1.00 61.43 H new ATOM 435 N GLY A 39 0.239 9.829 -25.835 1.00 34.00 N ATOM 436 CA GLY A 39 0.167 9.134 -24.563 1.00 64.10 C ATOM 437 C GLY A 39 1.350 9.443 -23.666 1.00 53.32 C ATOM 438 O GLY A 39 2.475 9.603 -24.141 1.00 73.11 O ATOM 0 H GLY A 39 -0.127 10.781 -25.824 1.00 34.00 H new ATOM 0 HA2 GLY A 39 -0.755 9.412 -24.052 1.00 64.10 H new ATOM 0 HA3 GLY A 39 0.121 8.060 -24.741 1.00 64.10 H new ATOM 442 N THR A 40 1.096 9.530 -22.364 1.00 40.51 N ATOM 443 CA THR A 40 2.147 9.826 -21.399 1.00 22.12 C ATOM 444 C THR A 40 2.433 8.620 -20.511 1.00 11.22 C ATOM 445 O THR A 40 1.586 8.204 -19.721 1.00 33.42 O ATOM 446 CB THR A 40 1.772 11.027 -20.510 1.00 21.54 C ATOM 447 OG1 THR A 40 0.742 11.798 -21.138 1.00 4.44 O ATOM 448 CG2 THR A 40 2.985 11.907 -20.249 1.00 22.30 C ATOM 0 H THR A 40 0.171 9.400 -21.954 1.00 40.51 H new ATOM 0 HA THR A 40 3.041 10.073 -21.971 1.00 22.12 H new ATOM 0 HB THR A 40 1.409 10.646 -19.556 1.00 21.54 H new ATOM 0 HG1 THR A 40 0.508 12.559 -20.566 1.00 4.44 H new ATOM 0 HG21 THR A 40 2.695 12.748 -19.619 1.00 22.30 H new ATOM 0 HG22 THR A 40 3.755 11.324 -19.744 1.00 22.30 H new ATOM 0 HG23 THR A 40 3.374 12.280 -21.196 1.00 22.30 H new ATOM 456 N VAL A 41 3.632 8.063 -20.645 1.00 44.21 N ATOM 457 CA VAL A 41 4.031 6.906 -19.853 1.00 72.31 C ATOM 458 C VAL A 41 5.170 7.256 -18.903 1.00 22.23 C ATOM 459 O VAL A 41 6.021 8.086 -19.219 1.00 5.31 O ATOM 460 CB VAL A 41 4.468 5.734 -20.752 1.00 45.23 C ATOM 461 CG1 VAL A 41 3.285 5.196 -21.542 1.00 20.55 C ATOM 462 CG2 VAL A 41 5.589 6.169 -21.685 1.00 74.13 C ATOM 0 H VAL A 41 4.345 8.395 -21.295 1.00 44.21 H new ATOM 0 HA VAL A 41 3.159 6.604 -19.273 1.00 72.31 H new ATOM 0 HB VAL A 41 4.844 4.932 -20.117 1.00 45.23 H new ATOM 0 HG11 VAL A 41 3.614 4.369 -22.171 1.00 20.55 H new ATOM 0 HG12 VAL A 41 2.517 4.845 -20.853 1.00 20.55 H new ATOM 0 HG13 VAL A 41 2.876 5.988 -22.169 1.00 20.55 H new ATOM 0 HG21 VAL A 41 5.886 5.329 -22.313 1.00 74.13 H new ATOM 0 HG22 VAL A 41 5.241 6.988 -22.315 1.00 74.13 H new ATOM 0 HG23 VAL A 41 6.444 6.502 -21.096 1.00 74.13 H new ATOM 472 N GLN A 42 5.179 6.616 -17.738 1.00 3.34 N ATOM 473 CA GLN A 42 6.215 6.861 -16.741 1.00 32.24 C ATOM 474 C GLN A 42 7.527 6.196 -17.144 1.00 51.33 C ATOM 475 O GLN A 42 8.556 6.859 -17.272 1.00 51.00 O ATOM 476 CB GLN A 42 5.767 6.344 -15.372 1.00 63.44 C ATOM 477 CG GLN A 42 6.449 7.040 -14.206 1.00 3.11 C ATOM 478 CD GLN A 42 6.986 6.065 -13.177 1.00 22.11 C ATOM 479 OE1 GLN A 42 6.422 5.916 -12.093 1.00 21.44 O ATOM 480 NE2 GLN A 42 8.082 5.394 -13.512 1.00 2.21 N ATOM 0 H GLN A 42 4.482 5.925 -17.461 1.00 3.34 H new ATOM 0 HA GLN A 42 6.378 7.937 -16.680 1.00 32.24 H new ATOM 0 HB2 GLN A 42 4.688 6.472 -15.280 1.00 63.44 H new ATOM 0 HB3 GLN A 42 5.968 5.274 -15.313 1.00 63.44 H new ATOM 0 HG2 GLN A 42 7.268 7.653 -14.582 1.00 3.11 H new ATOM 0 HG3 GLN A 42 5.740 7.715 -13.726 1.00 3.11 H new ATOM 0 HE21 GLN A 42 8.517 5.549 -14.422 1.00 2.21 H new ATOM 0 HE22 GLN A 42 8.489 4.724 -12.860 1.00 2.21 H new ATOM 489 N ALA A 43 7.483 4.883 -17.343 1.00 53.03 N ATOM 490 CA ALA A 43 8.668 4.129 -17.734 1.00 55.31 C ATOM 491 C ALA A 43 8.285 2.813 -18.402 1.00 22.22 C ATOM 492 O ALA A 43 7.151 2.350 -18.280 1.00 71.22 O ATOM 493 CB ALA A 43 9.552 3.872 -16.523 1.00 63.14 C ATOM 0 H ALA A 43 6.639 4.319 -17.240 1.00 53.03 H new ATOM 0 HA ALA A 43 9.226 4.724 -18.457 1.00 55.31 H new ATOM 0 HB1 ALA A 43 10.433 3.308 -16.829 1.00 63.14 H new ATOM 0 HB2 ALA A 43 9.862 4.823 -16.090 1.00 63.14 H new ATOM 0 HB3 ALA A 43 8.995 3.300 -15.781 1.00 63.14 H new ATOM 499 N VAL A 44 9.239 2.214 -19.108 1.00 73.03 N ATOM 500 CA VAL A 44 9.002 0.950 -19.795 1.00 73.04 C ATOM 501 C VAL A 44 10.227 0.046 -19.722 1.00 44.41 C ATOM 502 O VAL A 44 11.363 0.522 -19.731 1.00 71.13 O ATOM 503 CB VAL A 44 8.631 1.175 -21.273 1.00 43.43 C ATOM 504 CG1 VAL A 44 9.748 1.911 -21.998 1.00 2.33 C ATOM 505 CG2 VAL A 44 8.326 -0.151 -21.954 1.00 3.52 C ATOM 0 H VAL A 44 10.183 2.584 -19.219 1.00 73.03 H new ATOM 0 HA VAL A 44 8.167 0.467 -19.288 1.00 73.04 H new ATOM 0 HB VAL A 44 7.734 1.793 -21.314 1.00 43.43 H new ATOM 0 HG11 VAL A 44 9.468 2.061 -23.041 1.00 2.33 H new ATOM 0 HG12 VAL A 44 9.914 2.878 -21.524 1.00 2.33 H new ATOM 0 HG13 VAL A 44 10.664 1.322 -21.949 1.00 2.33 H new ATOM 0 HG21 VAL A 44 8.066 0.027 -22.997 1.00 3.52 H new ATOM 0 HG22 VAL A 44 9.203 -0.796 -21.904 1.00 3.52 H new ATOM 0 HG23 VAL A 44 7.490 -0.635 -21.449 1.00 3.52 H new ATOM 515 N TRP A 45 9.990 -1.258 -19.650 1.00 30.22 N ATOM 516 CA TRP A 45 11.076 -2.229 -19.575 1.00 74.55 C ATOM 517 C TRP A 45 10.576 -3.631 -19.909 1.00 40.22 C ATOM 518 O TRP A 45 9.373 -3.855 -20.042 1.00 71.33 O ATOM 519 CB TRP A 45 11.704 -2.217 -18.181 1.00 32.11 C ATOM 520 CG TRP A 45 13.085 -1.635 -18.157 1.00 14.24 C ATOM 521 CD1 TRP A 45 14.125 -1.957 -18.981 1.00 32.44 C ATOM 522 CD2 TRP A 45 13.575 -0.630 -17.262 1.00 62.13 C ATOM 523 NE1 TRP A 45 15.233 -1.214 -18.652 1.00 54.33 N ATOM 524 CE2 TRP A 45 14.921 -0.391 -17.602 1.00 63.31 C ATOM 525 CE3 TRP A 45 13.008 0.092 -16.209 1.00 42.51 C ATOM 526 CZ2 TRP A 45 15.706 0.538 -16.925 1.00 21.03 C ATOM 527 CZ3 TRP A 45 13.789 1.014 -15.538 1.00 15.24 C ATOM 528 CH2 TRP A 45 15.125 1.231 -15.898 1.00 2.14 C ATOM 0 H TRP A 45 9.056 -1.668 -19.642 1.00 30.22 H new ATOM 0 HA TRP A 45 11.832 -1.948 -20.308 1.00 74.55 H new ATOM 0 HB2 TRP A 45 11.065 -1.646 -17.507 1.00 32.11 H new ATOM 0 HB3 TRP A 45 11.740 -3.237 -17.798 1.00 32.11 H new ATOM 0 HD1 TRP A 45 14.083 -2.688 -19.775 1.00 32.44 H new ATOM 0 HE1 TRP A 45 16.141 -1.267 -19.114 1.00 54.33 H new ATOM 0 HE3 TRP A 45 11.978 -0.067 -15.925 1.00 42.51 H new ATOM 0 HZ2 TRP A 45 16.737 0.706 -17.200 1.00 21.03 H new ATOM 0 HZ3 TRP A 45 13.361 1.577 -14.722 1.00 15.24 H new ATOM 0 HH2 TRP A 45 15.708 1.960 -15.354 1.00 2.14 H new ATOM 539 N ARG A 46 11.507 -4.570 -20.043 1.00 12.03 N ATOM 540 CA ARG A 46 11.160 -5.950 -20.362 1.00 13.41 C ATOM 541 C ARG A 46 12.305 -6.894 -20.007 1.00 75.15 C ATOM 542 O ARG A 46 13.476 -6.554 -20.171 1.00 63.04 O ATOM 543 CB ARG A 46 10.817 -6.081 -21.847 1.00 61.10 C ATOM 544 CG ARG A 46 11.936 -5.633 -22.772 1.00 45.04 C ATOM 545 CD ARG A 46 11.788 -4.169 -23.158 1.00 61.51 C ATOM 546 NE ARG A 46 11.352 -4.010 -24.543 1.00 5.22 N ATOM 547 CZ ARG A 46 11.489 -2.882 -25.231 1.00 1.22 C ATOM 548 NH1 ARG A 46 12.047 -1.820 -24.666 1.00 31.15 N ATOM 549 NH2 ARG A 46 11.068 -2.814 -26.487 1.00 72.32 N ATOM 0 H ARG A 46 12.507 -4.400 -19.936 1.00 12.03 H new ATOM 0 HA ARG A 46 10.288 -6.226 -19.769 1.00 13.41 H new ATOM 0 HB2 ARG A 46 10.572 -7.121 -22.064 1.00 61.10 H new ATOM 0 HB3 ARG A 46 9.925 -5.492 -22.058 1.00 61.10 H new ATOM 0 HG2 ARG A 46 12.898 -5.786 -22.282 1.00 45.04 H new ATOM 0 HG3 ARG A 46 11.935 -6.249 -23.671 1.00 45.04 H new ATOM 0 HD2 ARG A 46 11.068 -3.690 -22.494 1.00 61.51 H new ATOM 0 HD3 ARG A 46 12.741 -3.659 -23.017 1.00 61.51 H new ATOM 0 HE ARG A 46 10.919 -4.808 -25.007 1.00 5.22 H new ATOM 0 HH11 ARG A 46 12.372 -1.868 -23.700 1.00 31.15 H new ATOM 0 HH12 ARG A 46 12.151 -0.955 -25.197 1.00 31.15 H new ATOM 0 HH21 ARG A 46 10.638 -3.628 -26.926 1.00 72.32 H new ATOM 0 HH22 ARG A 46 11.174 -1.947 -27.014 1.00 72.32 H new ATOM 563 N ARG A 47 11.957 -8.081 -19.521 1.00 14.34 N ATOM 564 CA ARG A 47 12.955 -9.073 -19.141 1.00 73.53 C ATOM 565 C ARG A 47 12.466 -10.484 -19.457 1.00 71.03 C ATOM 566 O ARG A 47 11.269 -10.713 -19.632 1.00 12.41 O ATOM 567 CB ARG A 47 13.280 -8.957 -17.651 1.00 43.12 C ATOM 568 CG ARG A 47 12.129 -9.357 -16.743 1.00 61.41 C ATOM 569 CD ARG A 47 11.972 -8.388 -15.582 1.00 53.44 C ATOM 570 NE ARG A 47 11.337 -9.015 -14.427 1.00 32.43 N ATOM 571 CZ ARG A 47 10.048 -9.334 -14.379 1.00 62.33 C ATOM 572 NH1 ARG A 47 9.262 -9.086 -15.417 1.00 53.13 N ATOM 573 NH2 ARG A 47 9.544 -9.904 -13.292 1.00 10.52 N ATOM 0 H ARG A 47 10.992 -8.379 -19.381 1.00 14.34 H new ATOM 0 HA ARG A 47 13.859 -8.881 -19.719 1.00 73.53 H new ATOM 0 HB2 ARG A 47 14.143 -9.583 -17.426 1.00 43.12 H new ATOM 0 HB3 ARG A 47 13.566 -7.929 -17.429 1.00 43.12 H new ATOM 0 HG2 ARG A 47 11.204 -9.389 -17.319 1.00 61.41 H new ATOM 0 HG3 ARG A 47 12.300 -10.362 -16.358 1.00 61.41 H new ATOM 0 HD2 ARG A 47 12.951 -8.006 -15.294 1.00 53.44 H new ATOM 0 HD3 ARG A 47 11.378 -7.532 -15.902 1.00 53.44 H new ATOM 0 HE ARG A 47 11.915 -9.220 -13.612 1.00 32.43 H new ATOM 0 HH11 ARG A 47 9.646 -8.649 -16.255 1.00 53.13 H new ATOM 0 HH12 ARG A 47 8.273 -9.332 -15.378 1.00 53.13 H new ATOM 0 HH21 ARG A 47 10.146 -10.098 -12.492 1.00 10.52 H new ATOM 0 HH22 ARG A 47 8.554 -10.148 -13.256 1.00 10.52 H new ATOM 587 N TYR A 48 13.400 -11.426 -19.530 1.00 0.42 N ATOM 588 CA TYR A 48 13.065 -12.813 -19.828 1.00 21.13 C ATOM 589 C TYR A 48 14.002 -13.769 -19.095 1.00 54.00 C ATOM 590 O TYR A 48 15.215 -13.749 -19.303 1.00 30.20 O ATOM 591 CB TYR A 48 13.138 -13.065 -21.335 1.00 21.03 C ATOM 592 CG TYR A 48 14.409 -12.552 -21.974 1.00 32.14 C ATOM 593 CD1 TYR A 48 15.496 -13.393 -22.176 1.00 23.22 C ATOM 594 CD2 TYR A 48 14.523 -11.227 -22.374 1.00 13.40 C ATOM 595 CE1 TYR A 48 16.660 -12.929 -22.758 1.00 53.15 C ATOM 596 CE2 TYR A 48 15.682 -10.754 -22.959 1.00 35.12 C ATOM 597 CZ TYR A 48 16.747 -11.609 -23.149 1.00 2.13 C ATOM 598 OH TYR A 48 17.904 -11.142 -23.730 1.00 11.45 O ATOM 0 H TYR A 48 14.395 -11.254 -19.387 1.00 0.42 H new ATOM 0 HA TYR A 48 12.047 -12.996 -19.485 1.00 21.13 H new ATOM 0 HB2 TYR A 48 13.055 -14.136 -21.520 1.00 21.03 H new ATOM 0 HB3 TYR A 48 12.282 -12.591 -21.816 1.00 21.03 H new ATOM 0 HD1 TYR A 48 15.430 -14.427 -21.873 1.00 23.22 H new ATOM 0 HD2 TYR A 48 13.691 -10.554 -22.225 1.00 13.40 H new ATOM 0 HE1 TYR A 48 17.497 -13.596 -22.906 1.00 53.15 H new ATOM 0 HE2 TYR A 48 15.753 -9.721 -23.266 1.00 35.12 H new ATOM 0 HH TYR A 48 17.801 -10.192 -23.947 1.00 11.45 H new ATOM 608 N PHE A 49 13.429 -14.606 -18.236 1.00 53.04 N ATOM 609 CA PHE A 49 14.211 -15.570 -17.471 1.00 74.35 C ATOM 610 C PHE A 49 14.467 -16.833 -18.289 1.00 30.13 C ATOM 611 O PHE A 49 13.533 -17.481 -18.759 1.00 74.21 O ATOM 612 CB PHE A 49 13.488 -15.929 -16.171 1.00 55.55 C ATOM 613 CG PHE A 49 14.047 -15.234 -14.963 1.00 43.11 C ATOM 614 CD1 PHE A 49 13.239 -14.437 -14.169 1.00 34.21 C ATOM 615 CD2 PHE A 49 15.383 -15.377 -14.622 1.00 34.21 C ATOM 616 CE1 PHE A 49 13.750 -13.797 -13.056 1.00 4.10 C ATOM 617 CE2 PHE A 49 15.900 -14.740 -13.510 1.00 51.21 C ATOM 618 CZ PHE A 49 15.083 -13.948 -12.727 1.00 2.41 C ATOM 0 H PHE A 49 12.426 -14.636 -18.052 1.00 53.04 H new ATOM 0 HA PHE A 49 15.171 -15.113 -17.230 1.00 74.35 H new ATOM 0 HB2 PHE A 49 12.432 -15.676 -16.270 1.00 55.55 H new ATOM 0 HB3 PHE A 49 13.545 -17.007 -16.019 1.00 55.55 H new ATOM 0 HD1 PHE A 49 12.196 -14.314 -14.423 1.00 34.21 H new ATOM 0 HD2 PHE A 49 16.027 -15.993 -15.232 1.00 34.21 H new ATOM 0 HE1 PHE A 49 13.108 -13.180 -12.445 1.00 4.10 H new ATOM 0 HE2 PHE A 49 16.942 -14.861 -13.253 1.00 51.21 H new ATOM 0 HZ PHE A 49 15.486 -13.448 -11.859 1.00 2.41 H new ATOM 628 N ALA A 50 15.740 -17.176 -18.454 1.00 5.35 N ATOM 629 CA ALA A 50 16.121 -18.361 -19.212 1.00 53.21 C ATOM 630 C ALA A 50 16.009 -19.619 -18.357 1.00 42.25 C ATOM 631 O ALA A 50 15.633 -20.683 -18.848 1.00 4.33 O ATOM 632 CB ALA A 50 17.535 -18.211 -19.752 1.00 4.43 C ATOM 0 H ALA A 50 16.526 -16.649 -18.072 1.00 5.35 H new ATOM 0 HA ALA A 50 15.433 -18.462 -20.051 1.00 53.21 H new ATOM 0 HB1 ALA A 50 17.806 -19.104 -20.316 1.00 4.43 H new ATOM 0 HB2 ALA A 50 17.584 -17.340 -20.406 1.00 4.43 H new ATOM 0 HB3 ALA A 50 18.230 -18.082 -18.922 1.00 4.43 H new ATOM 638 N GLY A 51 16.339 -19.489 -17.076 1.00 23.51 N ATOM 639 CA GLY A 51 16.270 -20.624 -16.174 1.00 22.20 C ATOM 640 C GLY A 51 17.523 -21.476 -16.217 1.00 61.31 C ATOM 641 O GLY A 51 17.828 -22.094 -17.237 1.00 65.23 O ATOM 0 H GLY A 51 16.653 -18.619 -16.647 1.00 23.51 H new ATOM 0 HA2 GLY A 51 16.112 -20.266 -15.156 1.00 22.20 H new ATOM 0 HA3 GLY A 51 15.408 -21.238 -16.433 1.00 22.20 H new ATOM 645 N LYS A 52 18.253 -21.509 -15.107 1.00 72.11 N ATOM 646 CA LYS A 52 19.481 -22.291 -15.021 1.00 15.01 C ATOM 647 C LYS A 52 19.572 -23.014 -13.681 1.00 2.22 C ATOM 648 O LYS A 52 20.545 -22.855 -12.943 1.00 40.11 O ATOM 649 CB LYS A 52 20.700 -21.386 -15.209 1.00 2.14 C ATOM 650 CG LYS A 52 21.978 -22.145 -15.520 1.00 44.45 C ATOM 651 CD LYS A 52 22.236 -22.211 -17.016 1.00 65.44 C ATOM 652 CE LYS A 52 23.148 -23.375 -17.373 1.00 63.33 C ATOM 653 NZ LYS A 52 24.293 -22.943 -18.222 1.00 22.03 N ATOM 0 H LYS A 52 18.015 -21.003 -14.254 1.00 72.11 H new ATOM 0 HA LYS A 52 19.464 -23.037 -15.816 1.00 15.01 H new ATOM 0 HB2 LYS A 52 20.499 -20.683 -16.017 1.00 2.14 H new ATOM 0 HB3 LYS A 52 20.848 -20.797 -14.304 1.00 2.14 H new ATOM 0 HG2 LYS A 52 22.820 -21.660 -15.026 1.00 44.45 H new ATOM 0 HG3 LYS A 52 21.910 -23.155 -15.116 1.00 44.45 H new ATOM 0 HD2 LYS A 52 21.289 -22.314 -17.546 1.00 65.44 H new ATOM 0 HD3 LYS A 52 22.688 -21.277 -17.350 1.00 65.44 H new ATOM 0 HE2 LYS A 52 23.526 -23.833 -16.459 1.00 63.33 H new ATOM 0 HE3 LYS A 52 22.574 -24.138 -17.899 1.00 63.33 H new ATOM 0 HZ1 LYS A 52 24.891 -23.765 -18.443 1.00 22.03 H new ATOM 0 HZ2 LYS A 52 23.933 -22.529 -19.105 1.00 22.03 H new ATOM 0 HZ3 LYS A 52 24.856 -22.233 -17.711 1.00 22.03 H new ATOM 667 N LYS A 53 18.554 -23.810 -13.372 1.00 51.41 N ATOM 668 CA LYS A 53 18.520 -24.560 -12.122 1.00 41.23 C ATOM 669 C LYS A 53 17.724 -25.851 -12.284 1.00 63.02 C ATOM 670 O LYS A 53 17.159 -26.114 -13.346 1.00 24.11 O ATOM 671 CB LYS A 53 17.908 -23.707 -11.008 1.00 61.33 C ATOM 672 CG LYS A 53 16.458 -23.329 -11.258 1.00 64.53 C ATOM 673 CD LYS A 53 16.300 -21.833 -11.468 1.00 3.25 C ATOM 674 CE LYS A 53 15.196 -21.523 -12.467 1.00 65.31 C ATOM 675 NZ LYS A 53 14.910 -20.064 -12.543 1.00 11.13 N ATOM 0 H LYS A 53 17.741 -23.952 -13.971 1.00 51.41 H new ATOM 0 HA LYS A 53 19.545 -24.817 -11.853 1.00 41.23 H new ATOM 0 HB2 LYS A 53 17.976 -24.252 -10.066 1.00 61.33 H new ATOM 0 HB3 LYS A 53 18.497 -22.797 -10.893 1.00 61.33 H new ATOM 0 HG2 LYS A 53 16.088 -23.861 -12.134 1.00 64.53 H new ATOM 0 HG3 LYS A 53 15.848 -23.645 -10.412 1.00 64.53 H new ATOM 0 HD2 LYS A 53 16.075 -21.353 -10.516 1.00 3.25 H new ATOM 0 HD3 LYS A 53 17.241 -21.413 -11.823 1.00 3.25 H new ATOM 0 HE2 LYS A 53 15.485 -21.888 -13.452 1.00 65.31 H new ATOM 0 HE3 LYS A 53 14.289 -22.056 -12.183 1.00 65.31 H new ATOM 0 HZ1 LYS A 53 14.152 -19.894 -13.235 1.00 11.13 H new ATOM 0 HZ2 LYS A 53 14.610 -19.720 -11.609 1.00 11.13 H new ATOM 0 HZ3 LYS A 53 15.768 -19.557 -12.839 1.00 11.13 H new ATOM 689 N ASP A 54 17.683 -26.652 -11.225 1.00 42.20 N ATOM 690 CA ASP A 54 16.954 -27.915 -11.249 1.00 41.51 C ATOM 691 C ASP A 54 15.590 -27.768 -10.581 1.00 45.52 C ATOM 692 O ASP A 54 15.057 -28.724 -10.020 1.00 72.04 O ATOM 693 CB ASP A 54 17.763 -29.008 -10.550 1.00 71.41 C ATOM 694 CG ASP A 54 18.936 -29.484 -11.385 1.00 0.35 C ATOM 695 OD1 ASP A 54 20.075 -29.055 -11.106 1.00 4.42 O ATOM 696 OD2 ASP A 54 18.715 -30.285 -12.316 1.00 31.52 O ATOM 0 H ASP A 54 18.146 -26.449 -10.339 1.00 42.20 H new ATOM 0 HA ASP A 54 16.800 -28.198 -12.290 1.00 41.51 H new ATOM 0 HB2 ASP A 54 18.130 -28.630 -9.596 1.00 71.41 H new ATOM 0 HB3 ASP A 54 17.111 -29.853 -10.329 1.00 71.41 H new ATOM 701 N ALA A 55 15.033 -26.563 -10.645 1.00 11.21 N ATOM 702 CA ALA A 55 13.732 -26.291 -10.047 1.00 55.13 C ATOM 703 C ALA A 55 12.700 -25.941 -11.114 1.00 73.34 C ATOM 704 O ALA A 55 13.036 -25.564 -12.237 1.00 73.53 O ATOM 705 CB ALA A 55 13.843 -25.166 -9.029 1.00 51.54 C ATOM 0 H ALA A 55 15.462 -25.760 -11.105 1.00 11.21 H new ATOM 0 HA ALA A 55 13.398 -27.195 -9.538 1.00 55.13 H new ATOM 0 HB1 ALA A 55 12.864 -24.974 -8.591 1.00 51.54 H new ATOM 0 HB2 ALA A 55 14.542 -25.454 -8.244 1.00 51.54 H new ATOM 0 HB3 ALA A 55 14.203 -24.263 -9.522 1.00 51.54 H new ATOM 711 N PRO A 56 11.413 -26.069 -10.759 1.00 32.14 N ATOM 712 CA PRO A 56 10.306 -25.772 -11.672 1.00 54.51 C ATOM 713 C PRO A 56 10.179 -24.280 -11.963 1.00 71.00 C ATOM 714 O PRO A 56 10.790 -23.440 -11.302 1.00 35.03 O ATOM 715 CB PRO A 56 9.075 -26.275 -10.914 1.00 11.12 C ATOM 716 CG PRO A 56 9.466 -26.218 -9.477 1.00 54.43 C ATOM 717 CD PRO A 56 10.939 -26.513 -9.437 1.00 24.22 C ATOM 0 HA PRO A 56 10.445 -26.241 -12.646 1.00 54.51 H new ATOM 0 HB2 PRO A 56 8.205 -25.649 -11.113 1.00 11.12 H new ATOM 0 HB3 PRO A 56 8.813 -27.290 -11.213 1.00 11.12 H new ATOM 0 HG2 PRO A 56 9.253 -25.237 -9.053 1.00 54.43 H new ATOM 0 HG3 PRO A 56 8.906 -26.947 -8.891 1.00 54.43 H new ATOM 0 HD2 PRO A 56 11.435 -25.973 -8.630 1.00 24.22 H new ATOM 0 HD3 PRO A 56 11.132 -27.574 -9.277 1.00 24.22 H new ATOM 725 N PRO A 57 9.367 -23.941 -12.976 1.00 4.44 N ATOM 726 CA PRO A 57 9.141 -22.549 -13.376 1.00 50.22 C ATOM 727 C PRO A 57 8.336 -21.771 -12.341 1.00 34.32 C ATOM 728 O PRO A 57 7.124 -21.948 -12.224 1.00 74.31 O ATOM 729 CB PRO A 57 8.351 -22.679 -14.681 1.00 34.24 C ATOM 730 CG PRO A 57 7.673 -24.003 -14.582 1.00 45.45 C ATOM 731 CD PRO A 57 8.608 -24.889 -13.807 1.00 71.51 C ATOM 0 HA PRO A 57 10.076 -21.998 -13.480 1.00 50.22 H new ATOM 0 HB2 PRO A 57 7.628 -21.871 -14.788 1.00 34.24 H new ATOM 0 HB3 PRO A 57 9.009 -22.635 -15.549 1.00 34.24 H new ATOM 0 HG2 PRO A 57 6.712 -23.913 -14.076 1.00 45.45 H new ATOM 0 HG3 PRO A 57 7.475 -24.415 -15.571 1.00 45.45 H new ATOM 0 HD2 PRO A 57 8.064 -25.611 -13.198 1.00 71.51 H new ATOM 0 HD3 PRO A 57 9.263 -25.458 -14.468 1.00 71.51 H new ATOM 739 N GLU A 58 9.018 -20.910 -11.592 1.00 54.02 N ATOM 740 CA GLU A 58 8.364 -20.106 -10.566 1.00 53.04 C ATOM 741 C GLU A 58 8.034 -18.713 -11.095 1.00 0.01 C ATOM 742 O GLU A 58 6.957 -18.178 -10.835 1.00 15.43 O ATOM 743 CB GLU A 58 9.256 -19.996 -9.328 1.00 53.40 C ATOM 744 CG GLU A 58 8.733 -19.020 -8.287 1.00 25.03 C ATOM 745 CD GLU A 58 9.232 -19.335 -6.890 1.00 24.21 C ATOM 746 OE1 GLU A 58 8.633 -18.829 -5.918 1.00 50.22 O ATOM 747 OE2 GLU A 58 10.222 -20.087 -6.768 1.00 74.33 O ATOM 0 H GLU A 58 10.022 -20.751 -11.676 1.00 54.02 H new ATOM 0 HA GLU A 58 7.433 -20.601 -10.291 1.00 53.04 H new ATOM 0 HB2 GLU A 58 9.355 -20.981 -8.873 1.00 53.40 H new ATOM 0 HB3 GLU A 58 10.254 -19.685 -9.636 1.00 53.40 H new ATOM 0 HG2 GLU A 58 9.036 -18.009 -8.558 1.00 25.03 H new ATOM 0 HG3 GLU A 58 7.643 -19.038 -8.292 1.00 25.03 H new ATOM 754 N SER A 59 8.970 -18.132 -11.838 1.00 42.51 N ATOM 755 CA SER A 59 8.782 -16.799 -12.400 1.00 31.20 C ATOM 756 C SER A 59 8.145 -16.878 -13.784 1.00 34.31 C ATOM 757 O SER A 59 8.033 -17.957 -14.367 1.00 45.34 O ATOM 758 CB SER A 59 10.121 -16.064 -12.484 1.00 61.21 C ATOM 759 OG SER A 59 10.967 -16.420 -11.404 1.00 52.11 O ATOM 0 H SER A 59 9.866 -18.563 -12.065 1.00 42.51 H new ATOM 0 HA SER A 59 8.113 -16.245 -11.742 1.00 31.20 H new ATOM 0 HB2 SER A 59 10.611 -16.302 -13.428 1.00 61.21 H new ATOM 0 HB3 SER A 59 9.950 -14.988 -12.476 1.00 61.21 H new ATOM 0 HG SER A 59 11.817 -15.938 -11.482 1.00 52.11 H new ATOM 765 N ARG A 60 7.727 -15.728 -14.303 1.00 24.21 N ATOM 766 CA ARG A 60 7.100 -15.666 -15.617 1.00 72.24 C ATOM 767 C ARG A 60 8.044 -15.044 -16.642 1.00 22.40 C ATOM 768 O ARG A 60 8.421 -13.877 -16.528 1.00 74.33 O ATOM 769 CB ARG A 60 5.802 -14.859 -15.549 1.00 32.52 C ATOM 770 CG ARG A 60 4.758 -15.462 -14.622 1.00 63.25 C ATOM 771 CD ARG A 60 4.395 -16.879 -15.039 1.00 43.12 C ATOM 772 NE ARG A 60 4.773 -17.861 -14.027 1.00 20.05 N ATOM 773 CZ ARG A 60 4.398 -19.135 -14.062 1.00 40.13 C ATOM 774 NH1 ARG A 60 3.639 -19.578 -15.055 1.00 64.41 N ATOM 775 NH2 ARG A 60 4.782 -19.968 -13.104 1.00 24.03 N ATOM 0 H ARG A 60 7.811 -14.827 -13.833 1.00 24.21 H new ATOM 0 HA ARG A 60 6.871 -16.685 -15.930 1.00 72.24 H new ATOM 0 HB2 ARG A 60 6.030 -13.847 -15.216 1.00 32.52 H new ATOM 0 HB3 ARG A 60 5.382 -14.777 -16.551 1.00 32.52 H new ATOM 0 HG2 ARG A 60 5.137 -15.468 -13.600 1.00 63.25 H new ATOM 0 HG3 ARG A 60 3.863 -14.840 -14.626 1.00 63.25 H new ATOM 0 HD2 ARG A 60 3.322 -16.940 -15.220 1.00 43.12 H new ATOM 0 HD3 ARG A 60 4.891 -17.118 -15.980 1.00 43.12 H new ATOM 0 HE ARG A 60 5.357 -17.552 -13.250 1.00 20.05 H new ATOM 0 HH11 ARG A 60 3.342 -18.940 -15.794 1.00 64.41 H new ATOM 0 HH12 ARG A 60 3.352 -20.556 -15.080 1.00 64.41 H new ATOM 0 HH21 ARG A 60 5.366 -19.631 -12.339 1.00 24.03 H new ATOM 0 HH22 ARG A 60 4.493 -20.946 -13.132 1.00 24.03 H new ATOM 789 N THR A 61 8.425 -15.832 -17.643 1.00 72.01 N ATOM 790 CA THR A 61 9.326 -15.360 -18.687 1.00 21.23 C ATOM 791 C THR A 61 8.633 -15.340 -20.044 1.00 52.21 C ATOM 792 O THR A 61 8.386 -16.387 -20.643 1.00 13.13 O ATOM 793 CB THR A 61 10.587 -16.240 -18.780 1.00 71.21 C ATOM 794 OG1 THR A 61 11.334 -15.902 -19.954 1.00 22.51 O ATOM 795 CG2 THR A 61 10.216 -17.715 -18.816 1.00 30.12 C ATOM 0 H THR A 61 8.123 -16.800 -17.752 1.00 72.01 H new ATOM 0 HA THR A 61 9.619 -14.345 -18.417 1.00 21.23 H new ATOM 0 HB THR A 61 11.198 -16.057 -17.896 1.00 71.21 H new ATOM 0 HG1 THR A 61 12.215 -16.329 -19.915 1.00 22.51 H new ATOM 0 HG21 THR A 61 11.123 -18.317 -18.882 1.00 30.12 H new ATOM 0 HG22 THR A 61 9.672 -17.976 -17.908 1.00 30.12 H new ATOM 0 HG23 THR A 61 9.587 -17.911 -19.684 1.00 30.12 H new ATOM 803 N LYS A 62 8.321 -14.141 -20.526 1.00 64.41 N ATOM 804 CA LYS A 62 7.658 -13.983 -21.815 1.00 31.32 C ATOM 805 C LYS A 62 8.245 -12.807 -22.588 1.00 61.14 C ATOM 806 O LYS A 62 8.839 -11.892 -22.018 1.00 21.24 O ATOM 807 CB LYS A 62 6.155 -13.777 -21.616 1.00 34.12 C ATOM 808 CG LYS A 62 5.816 -12.845 -20.465 1.00 74.42 C ATOM 809 CD LYS A 62 5.566 -13.615 -19.179 1.00 62.42 C ATOM 810 CE LYS A 62 4.092 -13.948 -19.005 1.00 41.35 C ATOM 811 NZ LYS A 62 3.855 -15.418 -18.974 1.00 11.53 N ATOM 0 H LYS A 62 8.517 -13.264 -20.043 1.00 64.41 H new ATOM 0 HA LYS A 62 7.821 -14.892 -22.393 1.00 31.32 H new ATOM 0 HB2 LYS A 62 5.727 -13.377 -22.535 1.00 34.12 H new ATOM 0 HB3 LYS A 62 5.684 -14.744 -21.440 1.00 34.12 H new ATOM 0 HG2 LYS A 62 6.633 -12.139 -20.315 1.00 74.42 H new ATOM 0 HG3 LYS A 62 4.932 -12.260 -20.718 1.00 74.42 H new ATOM 0 HD2 LYS A 62 6.150 -14.536 -19.186 1.00 62.42 H new ATOM 0 HD3 LYS A 62 5.910 -13.026 -18.329 1.00 62.42 H new ATOM 0 HE2 LYS A 62 3.726 -13.502 -18.081 1.00 41.35 H new ATOM 0 HE3 LYS A 62 3.521 -13.505 -19.821 1.00 41.35 H new ATOM 0 HZ1 LYS A 62 2.839 -15.603 -18.854 1.00 11.53 H new ATOM 0 HZ2 LYS A 62 4.181 -15.841 -19.866 1.00 11.53 H new ATOM 0 HZ3 LYS A 62 4.379 -15.838 -18.180 1.00 11.53 H new ATOM 825 N PRO A 63 8.075 -12.829 -23.919 1.00 2.32 N ATOM 826 CA PRO A 63 8.580 -11.770 -24.798 1.00 74.15 C ATOM 827 C PRO A 63 7.819 -10.460 -24.624 1.00 72.12 C ATOM 828 O PRO A 63 8.315 -9.391 -24.979 1.00 25.04 O ATOM 829 CB PRO A 63 8.353 -12.337 -26.202 1.00 60.40 C ATOM 830 CG PRO A 63 7.229 -13.303 -26.044 1.00 3.43 C ATOM 831 CD PRO A 63 7.377 -13.888 -24.667 1.00 2.05 C ATOM 0 HA PRO A 63 9.620 -11.525 -24.585 1.00 74.15 H new ATOM 0 HB2 PRO A 63 8.101 -11.549 -26.911 1.00 60.40 H new ATOM 0 HB3 PRO A 63 9.249 -12.830 -26.579 1.00 60.40 H new ATOM 0 HG2 PRO A 63 6.267 -12.803 -26.154 1.00 3.43 H new ATOM 0 HG3 PRO A 63 7.273 -14.081 -26.806 1.00 3.43 H new ATOM 0 HD2 PRO A 63 6.409 -14.122 -24.224 1.00 2.05 H new ATOM 0 HD3 PRO A 63 7.952 -14.814 -24.684 1.00 2.05 H new ATOM 839 N SER A 64 6.611 -10.551 -24.076 1.00 4.32 N ATOM 840 CA SER A 64 5.781 -9.372 -23.858 1.00 34.34 C ATOM 841 C SER A 64 6.551 -8.298 -23.095 1.00 73.33 C ATOM 842 O SER A 64 7.452 -8.601 -22.313 1.00 34.31 O ATOM 843 CB SER A 64 4.514 -9.751 -23.088 1.00 12.11 C ATOM 844 OG SER A 64 4.300 -11.151 -23.116 1.00 34.44 O ATOM 0 H SER A 64 6.186 -11.428 -23.775 1.00 4.32 H new ATOM 0 HA SER A 64 5.501 -8.970 -24.832 1.00 34.34 H new ATOM 0 HB2 SER A 64 4.598 -9.413 -22.055 1.00 12.11 H new ATOM 0 HB3 SER A 64 3.655 -9.240 -23.522 1.00 12.11 H new ATOM 0 HG SER A 64 3.486 -11.368 -22.616 1.00 34.44 H new ATOM 850 N VAL A 65 6.189 -7.041 -23.330 1.00 0.22 N ATOM 851 CA VAL A 65 6.844 -5.920 -22.665 1.00 60.44 C ATOM 852 C VAL A 65 5.967 -5.350 -21.556 1.00 61.33 C ATOM 853 O VAL A 65 4.741 -5.456 -21.603 1.00 24.53 O ATOM 854 CB VAL A 65 7.185 -4.798 -23.663 1.00 42.23 C ATOM 855 CG1 VAL A 65 8.255 -5.259 -24.641 1.00 23.21 C ATOM 856 CG2 VAL A 65 5.935 -4.345 -24.403 1.00 4.12 C ATOM 0 H VAL A 65 5.446 -6.773 -23.976 1.00 0.22 H new ATOM 0 HA VAL A 65 7.768 -6.304 -22.232 1.00 60.44 H new ATOM 0 HB VAL A 65 7.578 -3.948 -23.106 1.00 42.23 H new ATOM 0 HG11 VAL A 65 8.482 -4.453 -25.338 1.00 23.21 H new ATOM 0 HG12 VAL A 65 9.157 -5.530 -24.092 1.00 23.21 H new ATOM 0 HG13 VAL A 65 7.893 -6.126 -25.194 1.00 23.21 H new ATOM 0 HG21 VAL A 65 6.195 -3.552 -25.104 1.00 4.12 H new ATOM 0 HG22 VAL A 65 5.510 -5.187 -24.949 1.00 4.12 H new ATOM 0 HG23 VAL A 65 5.204 -3.971 -23.687 1.00 4.12 H new ATOM 866 N PHE A 66 6.603 -4.744 -20.559 1.00 62.41 N ATOM 867 CA PHE A 66 5.881 -4.157 -19.437 1.00 21.15 C ATOM 868 C PHE A 66 5.990 -2.635 -19.456 1.00 71.23 C ATOM 869 O PHE A 66 7.085 -2.081 -19.557 1.00 15.01 O ATOM 870 CB PHE A 66 6.423 -4.701 -18.113 1.00 61.32 C ATOM 871 CG PHE A 66 6.596 -6.193 -18.105 1.00 22.24 C ATOM 872 CD1 PHE A 66 7.850 -6.759 -18.270 1.00 71.41 C ATOM 873 CD2 PHE A 66 5.505 -7.030 -17.931 1.00 41.55 C ATOM 874 CE1 PHE A 66 8.013 -8.132 -18.262 1.00 72.02 C ATOM 875 CE2 PHE A 66 5.662 -8.403 -17.922 1.00 51.43 C ATOM 876 CZ PHE A 66 6.917 -8.955 -18.089 1.00 40.42 C ATOM 0 H PHE A 66 7.617 -4.647 -20.505 1.00 62.41 H new ATOM 0 HA PHE A 66 4.830 -4.430 -19.532 1.00 21.15 H new ATOM 0 HB2 PHE A 66 7.383 -4.231 -17.902 1.00 61.32 H new ATOM 0 HB3 PHE A 66 5.745 -4.417 -17.308 1.00 61.32 H new ATOM 0 HD1 PHE A 66 8.710 -6.120 -18.406 1.00 71.41 H new ATOM 0 HD2 PHE A 66 4.521 -6.604 -17.801 1.00 41.55 H new ATOM 0 HE1 PHE A 66 8.996 -8.561 -18.391 1.00 72.02 H new ATOM 0 HE2 PHE A 66 4.804 -9.044 -17.784 1.00 51.43 H new ATOM 0 HZ PHE A 66 7.041 -10.028 -18.084 1.00 40.42 H new ATOM 886 N VAL A 67 4.846 -1.965 -19.360 1.00 41.21 N ATOM 887 CA VAL A 67 4.811 -0.507 -19.366 1.00 64.22 C ATOM 888 C VAL A 67 4.045 0.029 -18.162 1.00 45.42 C ATOM 889 O VAL A 67 2.976 -0.474 -17.818 1.00 70.13 O ATOM 890 CB VAL A 67 4.164 0.033 -20.655 1.00 41.41 C ATOM 891 CG1 VAL A 67 5.000 -0.341 -21.870 1.00 15.21 C ATOM 892 CG2 VAL A 67 2.742 -0.487 -20.795 1.00 74.12 C ATOM 0 H VAL A 67 3.931 -2.408 -19.277 1.00 41.21 H new ATOM 0 HA VAL A 67 5.845 -0.165 -19.316 1.00 64.22 H new ATOM 0 HB VAL A 67 4.124 1.120 -20.593 1.00 41.41 H new ATOM 0 HG11 VAL A 67 4.527 0.049 -22.771 1.00 15.21 H new ATOM 0 HG12 VAL A 67 5.998 0.086 -21.770 1.00 15.21 H new ATOM 0 HG13 VAL A 67 5.075 -1.426 -21.940 1.00 15.21 H new ATOM 0 HG21 VAL A 67 2.300 -0.095 -21.711 1.00 74.12 H new ATOM 0 HG22 VAL A 67 2.755 -1.576 -20.835 1.00 74.12 H new ATOM 0 HG23 VAL A 67 2.150 -0.163 -19.939 1.00 74.12 H new ATOM 902 N VAL A 68 4.600 1.055 -17.524 1.00 52.54 N ATOM 903 CA VAL A 68 3.968 1.663 -16.359 1.00 24.41 C ATOM 904 C VAL A 68 3.616 3.122 -16.623 1.00 15.03 C ATOM 905 O VAL A 68 4.497 3.960 -16.814 1.00 52.24 O ATOM 906 CB VAL A 68 4.881 1.582 -15.121 1.00 12.24 C ATOM 907 CG1 VAL A 68 4.140 2.056 -13.880 1.00 1.54 C ATOM 908 CG2 VAL A 68 5.400 0.165 -14.933 1.00 34.43 C ATOM 0 H VAL A 68 5.486 1.482 -17.794 1.00 52.54 H new ATOM 0 HA VAL A 68 3.054 1.102 -16.165 1.00 24.41 H new ATOM 0 HB VAL A 68 5.736 2.239 -15.278 1.00 12.24 H new ATOM 0 HG11 VAL A 68 4.800 1.992 -13.015 1.00 1.54 H new ATOM 0 HG12 VAL A 68 3.823 3.090 -14.018 1.00 1.54 H new ATOM 0 HG13 VAL A 68 3.265 1.427 -13.716 1.00 1.54 H new ATOM 0 HG21 VAL A 68 6.043 0.127 -14.054 1.00 34.43 H new ATOM 0 HG22 VAL A 68 4.559 -0.515 -14.797 1.00 34.43 H new ATOM 0 HG23 VAL A 68 5.970 -0.133 -15.813 1.00 34.43 H new ATOM 918 N PHE A 69 2.320 3.420 -16.631 1.00 24.22 N ATOM 919 CA PHE A 69 1.850 4.779 -16.872 1.00 31.13 C ATOM 920 C PHE A 69 1.946 5.621 -15.603 1.00 31.44 C ATOM 921 O PHE A 69 1.740 5.122 -14.497 1.00 72.42 O ATOM 922 CB PHE A 69 0.406 4.759 -17.376 1.00 54.32 C ATOM 923 CG PHE A 69 0.237 4.040 -18.684 1.00 30.54 C ATOM 924 CD1 PHE A 69 0.142 2.658 -18.722 1.00 23.22 C ATOM 925 CD2 PHE A 69 0.174 4.745 -19.875 1.00 33.33 C ATOM 926 CE1 PHE A 69 -0.013 1.992 -19.923 1.00 53.22 C ATOM 927 CE2 PHE A 69 0.018 4.085 -21.079 1.00 32.21 C ATOM 928 CZ PHE A 69 -0.075 2.707 -21.103 1.00 65.24 C ATOM 0 H PHE A 69 1.578 2.739 -16.473 1.00 24.22 H new ATOM 0 HA PHE A 69 2.488 5.228 -17.634 1.00 31.13 H new ATOM 0 HB2 PHE A 69 -0.226 4.284 -16.625 1.00 54.32 H new ATOM 0 HB3 PHE A 69 0.054 5.785 -17.486 1.00 54.32 H new ATOM 0 HD1 PHE A 69 0.190 2.095 -17.802 1.00 23.22 H new ATOM 0 HD2 PHE A 69 0.248 5.822 -19.862 1.00 33.33 H new ATOM 0 HE1 PHE A 69 -0.086 0.915 -19.939 1.00 53.22 H new ATOM 0 HE2 PHE A 69 -0.031 4.646 -22.000 1.00 32.21 H new ATOM 0 HZ PHE A 69 -0.196 2.189 -22.043 1.00 65.24 H new ATOM 938 N ASN A 70 2.261 6.901 -15.771 1.00 60.31 N ATOM 939 CA ASN A 70 2.386 7.813 -14.640 1.00 31.52 C ATOM 940 C ASN A 70 1.034 8.420 -14.279 1.00 53.10 C ATOM 941 O ASN A 70 0.684 8.529 -13.104 1.00 21.22 O ATOM 942 CB ASN A 70 3.387 8.924 -14.962 1.00 23.44 C ATOM 943 CG ASN A 70 4.015 9.515 -13.714 1.00 40.23 C ATOM 944 OD1 ASN A 70 3.617 9.196 -12.594 1.00 73.31 O ATOM 945 ND2 ASN A 70 5.002 10.383 -13.904 1.00 1.24 N ATOM 0 H ASN A 70 2.434 7.330 -16.680 1.00 60.31 H new ATOM 0 HA ASN A 70 2.749 7.243 -13.784 1.00 31.52 H new ATOM 0 HB2 ASN A 70 4.171 8.527 -15.607 1.00 23.44 H new ATOM 0 HB3 ASN A 70 2.883 9.713 -15.521 1.00 23.44 H new ATOM 0 HD21 ASN A 70 5.463 10.815 -13.103 1.00 1.24 H new ATOM 0 HD22 ASN A 70 5.299 10.618 -14.851 1.00 1.24 H new ATOM 952 N SER A 71 0.277 8.814 -15.298 1.00 61.04 N ATOM 953 CA SER A 71 -1.036 9.414 -15.089 1.00 64.53 C ATOM 954 C SER A 71 -2.081 8.343 -14.792 1.00 23.32 C ATOM 955 O SER A 71 -2.196 7.354 -15.516 1.00 24.45 O ATOM 956 CB SER A 71 -1.453 10.221 -16.320 1.00 4.43 C ATOM 957 OG SER A 71 -0.838 11.498 -16.324 1.00 12.44 O ATOM 0 H SER A 71 0.550 8.729 -16.277 1.00 61.04 H new ATOM 0 HA SER A 71 -0.971 10.082 -14.230 1.00 64.53 H new ATOM 0 HB2 SER A 71 -1.178 9.679 -17.225 1.00 4.43 H new ATOM 0 HB3 SER A 71 -2.537 10.336 -16.334 1.00 4.43 H new ATOM 0 HG SER A 71 -1.119 11.994 -17.121 1.00 12.44 H new ATOM 963 N SER A 72 -2.841 8.548 -13.721 1.00 21.01 N ATOM 964 CA SER A 72 -3.875 7.599 -13.324 1.00 4.20 C ATOM 965 C SER A 72 -4.934 7.462 -14.414 1.00 3.24 C ATOM 966 O SER A 72 -5.285 6.354 -14.816 1.00 33.34 O ATOM 967 CB SER A 72 -4.529 8.043 -12.014 1.00 43.42 C ATOM 968 OG SER A 72 -5.924 7.799 -12.032 1.00 73.44 O ATOM 0 H SER A 72 -2.760 9.363 -13.113 1.00 21.01 H new ATOM 0 HA SER A 72 -3.404 6.627 -13.175 1.00 4.20 H new ATOM 0 HB2 SER A 72 -4.074 7.511 -11.178 1.00 43.42 H new ATOM 0 HB3 SER A 72 -4.345 9.105 -11.854 1.00 43.42 H new ATOM 0 HG SER A 72 -6.318 8.090 -11.183 1.00 73.44 H new ATOM 974 N GLU A 73 -5.438 8.598 -14.887 1.00 25.15 N ATOM 975 CA GLU A 73 -6.457 8.605 -15.929 1.00 31.11 C ATOM 976 C GLU A 73 -5.971 7.863 -17.171 1.00 3.42 C ATOM 977 O GLU A 73 -6.618 6.928 -17.640 1.00 41.25 O ATOM 978 CB GLU A 73 -6.834 10.042 -16.295 1.00 33.03 C ATOM 979 CG GLU A 73 -8.288 10.204 -16.707 1.00 21.42 C ATOM 980 CD GLU A 73 -8.591 9.555 -18.043 1.00 60.05 C ATOM 981 OE1 GLU A 73 -8.210 10.133 -19.083 1.00 2.32 O ATOM 982 OE2 GLU A 73 -9.209 8.470 -18.051 1.00 11.14 O ATOM 0 H GLU A 73 -5.157 9.524 -14.565 1.00 25.15 H new ATOM 0 HA GLU A 73 -7.338 8.093 -15.543 1.00 31.11 H new ATOM 0 HB2 GLU A 73 -6.633 10.690 -15.442 1.00 33.03 H new ATOM 0 HB3 GLU A 73 -6.194 10.380 -17.110 1.00 33.03 H new ATOM 0 HG2 GLU A 73 -8.930 9.768 -15.941 1.00 21.42 H new ATOM 0 HG3 GLU A 73 -8.531 11.265 -16.759 1.00 21.42 H new ATOM 989 N GLU A 74 -4.826 8.289 -17.697 1.00 14.02 N ATOM 990 CA GLU A 74 -4.254 7.666 -18.885 1.00 11.33 C ATOM 991 C GLU A 74 -3.922 6.200 -18.624 1.00 21.02 C ATOM 992 O GLU A 74 -3.960 5.373 -19.534 1.00 22.40 O ATOM 993 CB GLU A 74 -2.994 8.416 -19.324 1.00 34.31 C ATOM 994 CG GLU A 74 -2.965 8.739 -20.808 1.00 41.02 C ATOM 995 CD GLU A 74 -3.488 10.129 -21.113 1.00 0.30 C ATOM 996 OE1 GLU A 74 -3.237 10.625 -22.232 1.00 34.32 O ATOM 997 OE2 GLU A 74 -4.147 10.722 -20.233 1.00 71.15 O ATOM 0 H GLU A 74 -4.277 9.062 -17.320 1.00 14.02 H new ATOM 0 HA GLU A 74 -4.995 7.716 -19.683 1.00 11.33 H new ATOM 0 HB2 GLU A 74 -2.917 9.344 -18.757 1.00 34.31 H new ATOM 0 HB3 GLU A 74 -2.119 7.817 -19.074 1.00 34.31 H new ATOM 0 HG2 GLU A 74 -1.942 8.651 -21.175 1.00 41.02 H new ATOM 0 HG3 GLU A 74 -3.562 8.004 -21.348 1.00 41.02 H new ATOM 1004 N ALA A 75 -3.596 5.887 -17.374 1.00 62.51 N ATOM 1005 CA ALA A 75 -3.258 4.521 -16.992 1.00 72.14 C ATOM 1006 C ALA A 75 -4.459 3.594 -17.150 1.00 42.04 C ATOM 1007 O ALA A 75 -4.359 2.536 -17.771 1.00 15.12 O ATOM 1008 CB ALA A 75 -2.746 4.485 -15.560 1.00 61.31 C ATOM 0 H ALA A 75 -3.559 6.561 -16.609 1.00 62.51 H new ATOM 0 HA ALA A 75 -2.470 4.168 -17.657 1.00 72.14 H new ATOM 0 HB1 ALA A 75 -2.498 3.459 -15.288 1.00 61.31 H new ATOM 0 HB2 ALA A 75 -1.856 5.108 -15.476 1.00 61.31 H new ATOM 0 HB3 ALA A 75 -3.517 4.862 -14.888 1.00 61.31 H new ATOM 1014 N GLU A 76 -5.592 3.999 -16.584 1.00 64.35 N ATOM 1015 CA GLU A 76 -6.811 3.202 -16.662 1.00 45.12 C ATOM 1016 C GLU A 76 -7.315 3.119 -18.100 1.00 14.12 C ATOM 1017 O GLU A 76 -7.757 2.064 -18.554 1.00 14.14 O ATOM 1018 CB GLU A 76 -7.895 3.800 -15.763 1.00 22.40 C ATOM 1019 CG GLU A 76 -7.788 3.366 -14.311 1.00 33.24 C ATOM 1020 CD GLU A 76 -9.138 3.287 -13.625 1.00 14.12 C ATOM 1021 OE1 GLU A 76 -9.803 2.237 -13.744 1.00 74.31 O ATOM 1022 OE2 GLU A 76 -9.530 4.275 -12.969 1.00 51.14 O ATOM 0 H GLU A 76 -5.691 4.873 -16.067 1.00 64.35 H new ATOM 0 HA GLU A 76 -6.579 2.194 -16.318 1.00 45.12 H new ATOM 0 HB2 GLU A 76 -7.838 4.887 -15.814 1.00 22.40 H new ATOM 0 HB3 GLU A 76 -8.874 3.513 -16.148 1.00 22.40 H new ATOM 0 HG2 GLU A 76 -7.302 2.392 -14.262 1.00 33.24 H new ATOM 0 HG3 GLU A 76 -7.151 4.067 -13.772 1.00 33.24 H new ATOM 1029 N ALA A 77 -7.247 4.240 -18.811 1.00 24.14 N ATOM 1030 CA ALA A 77 -7.695 4.294 -20.196 1.00 42.45 C ATOM 1031 C ALA A 77 -6.925 3.302 -21.062 1.00 13.32 C ATOM 1032 O ALA A 77 -7.520 2.480 -21.759 1.00 64.11 O ATOM 1033 CB ALA A 77 -7.543 5.705 -20.745 1.00 43.33 C ATOM 0 H ALA A 77 -6.886 5.123 -18.450 1.00 24.14 H new ATOM 0 HA ALA A 77 -8.749 4.017 -20.222 1.00 42.45 H new ATOM 0 HB1 ALA A 77 -7.881 5.731 -21.781 1.00 43.33 H new ATOM 0 HB2 ALA A 77 -8.143 6.394 -20.150 1.00 43.33 H new ATOM 0 HB3 ALA A 77 -6.496 6.003 -20.698 1.00 43.33 H new ATOM 1039 N PHE A 78 -5.600 3.385 -21.013 1.00 1.42 N ATOM 1040 CA PHE A 78 -4.749 2.495 -21.794 1.00 3.50 C ATOM 1041 C PHE A 78 -4.945 1.043 -21.369 1.00 1.24 C ATOM 1042 O PHE A 78 -4.967 0.139 -22.204 1.00 0.45 O ATOM 1043 CB PHE A 78 -3.279 2.891 -21.635 1.00 53.22 C ATOM 1044 CG PHE A 78 -2.783 3.802 -22.722 1.00 22.52 C ATOM 1045 CD1 PHE A 78 -2.016 3.305 -23.764 1.00 31.25 C ATOM 1046 CD2 PHE A 78 -3.082 5.154 -22.701 1.00 53.22 C ATOM 1047 CE1 PHE A 78 -1.558 4.140 -24.765 1.00 60.33 C ATOM 1048 CE2 PHE A 78 -2.627 5.994 -23.700 1.00 74.23 C ATOM 1049 CZ PHE A 78 -1.863 5.486 -24.733 1.00 13.21 C ATOM 0 H PHE A 78 -5.092 4.059 -20.441 1.00 1.42 H new ATOM 0 HA PHE A 78 -5.032 2.589 -22.842 1.00 3.50 H new ATOM 0 HB2 PHE A 78 -3.145 3.382 -20.671 1.00 53.22 H new ATOM 0 HB3 PHE A 78 -2.667 1.989 -21.621 1.00 53.22 H new ATOM 0 HD1 PHE A 78 -1.774 2.253 -23.794 1.00 31.25 H new ATOM 0 HD2 PHE A 78 -3.677 5.557 -21.895 1.00 53.22 H new ATOM 0 HE1 PHE A 78 -0.962 3.740 -25.572 1.00 60.33 H new ATOM 0 HE2 PHE A 78 -2.868 7.046 -23.673 1.00 74.23 H new ATOM 0 HZ PHE A 78 -1.505 6.141 -25.514 1.00 13.21 H new ATOM 1059 N GLN A 79 -5.086 0.829 -20.065 1.00 30.24 N ATOM 1060 CA GLN A 79 -5.279 -0.513 -19.528 1.00 61.31 C ATOM 1061 C GLN A 79 -6.527 -1.161 -20.118 1.00 15.14 C ATOM 1062 O GLN A 79 -6.517 -2.337 -20.483 1.00 43.40 O ATOM 1063 CB GLN A 79 -5.386 -0.465 -18.003 1.00 35.10 C ATOM 1064 CG GLN A 79 -4.149 -0.983 -17.289 1.00 64.40 C ATOM 1065 CD GLN A 79 -3.798 -0.167 -16.061 1.00 11.40 C ATOM 1066 OE1 GLN A 79 -2.929 0.705 -16.108 1.00 35.10 O ATOM 1067 NE2 GLN A 79 -4.474 -0.444 -14.952 1.00 70.42 N ATOM 0 H GLN A 79 -5.070 1.567 -19.361 1.00 30.24 H new ATOM 0 HA GLN A 79 -4.414 -1.116 -19.805 1.00 61.31 H new ATOM 0 HB2 GLN A 79 -5.570 0.563 -17.692 1.00 35.10 H new ATOM 0 HB3 GLN A 79 -6.249 -1.052 -17.689 1.00 35.10 H new ATOM 0 HG2 GLN A 79 -4.311 -2.021 -16.997 1.00 64.40 H new ATOM 0 HG3 GLN A 79 -3.306 -0.974 -17.979 1.00 64.40 H new ATOM 0 HE21 GLN A 79 -5.186 -1.175 -14.958 1.00 70.42 H new ATOM 0 HE22 GLN A 79 -4.282 0.074 -14.095 1.00 70.42 H new ATOM 1076 N LYS A 80 -7.603 -0.387 -20.207 1.00 55.41 N ATOM 1077 CA LYS A 80 -8.861 -0.883 -20.753 1.00 20.31 C ATOM 1078 C LYS A 80 -8.678 -1.368 -22.187 1.00 65.53 C ATOM 1079 O LYS A 80 -8.768 -2.564 -22.464 1.00 63.13 O ATOM 1080 CB LYS A 80 -9.929 0.212 -20.706 1.00 61.23 C ATOM 1081 CG LYS A 80 -11.277 -0.230 -21.248 1.00 73.02 C ATOM 1082 CD LYS A 80 -12.287 0.905 -21.224 1.00 51.13 C ATOM 1083 CE LYS A 80 -12.663 1.346 -22.631 1.00 1.55 C ATOM 1084 NZ LYS A 80 -13.543 2.547 -22.618 1.00 53.52 N ATOM 0 H LYS A 80 -7.629 0.588 -19.908 1.00 55.41 H new ATOM 0 HA LYS A 80 -9.186 -1.725 -20.142 1.00 20.31 H new ATOM 0 HB2 LYS A 80 -10.052 0.544 -19.675 1.00 61.23 H new ATOM 0 HB3 LYS A 80 -9.581 1.072 -21.278 1.00 61.23 H new ATOM 0 HG2 LYS A 80 -11.159 -0.591 -22.270 1.00 73.02 H new ATOM 0 HG3 LYS A 80 -11.652 -1.065 -20.656 1.00 73.02 H new ATOM 0 HD2 LYS A 80 -13.182 0.586 -20.690 1.00 51.13 H new ATOM 0 HD3 LYS A 80 -11.873 1.751 -20.675 1.00 51.13 H new ATOM 0 HE2 LYS A 80 -11.758 1.565 -23.197 1.00 1.55 H new ATOM 0 HE3 LYS A 80 -13.170 0.529 -23.144 1.00 1.55 H new ATOM 0 HZ1 LYS A 80 -13.777 2.816 -23.595 1.00 53.52 H new ATOM 0 HZ2 LYS A 80 -14.418 2.331 -22.099 1.00 53.52 H new ATOM 0 HZ3 LYS A 80 -13.049 3.334 -22.151 1.00 53.52 H new ATOM 1098 N ALA A 81 -8.418 -0.433 -23.095 1.00 54.00 N ATOM 1099 CA ALA A 81 -8.219 -0.766 -24.500 1.00 22.21 C ATOM 1100 C ALA A 81 -6.877 -0.243 -25.003 1.00 34.52 C ATOM 1101 O ALA A 81 -6.272 0.652 -24.413 1.00 55.35 O ATOM 1102 CB ALA A 81 -9.355 -0.205 -25.342 1.00 72.50 C ATOM 0 H ALA A 81 -8.340 0.562 -22.882 1.00 54.00 H new ATOM 0 HA ALA A 81 -8.215 -1.852 -24.593 1.00 22.21 H new ATOM 0 HB1 ALA A 81 -9.193 -0.461 -26.389 1.00 72.50 H new ATOM 0 HB2 ALA A 81 -10.301 -0.630 -25.006 1.00 72.50 H new ATOM 0 HB3 ALA A 81 -9.386 0.879 -25.235 1.00 72.50 H new ATOM 1108 N PRO A 82 -6.399 -0.815 -26.118 1.00 71.10 N ATOM 1109 CA PRO A 82 -5.124 -0.422 -26.724 1.00 63.35 C ATOM 1110 C PRO A 82 -5.181 0.969 -27.345 1.00 52.41 C ATOM 1111 O PRO A 82 -6.250 1.556 -27.515 1.00 12.15 O ATOM 1112 CB PRO A 82 -4.904 -1.482 -27.807 1.00 55.01 C ATOM 1113 CG PRO A 82 -6.272 -1.965 -28.147 1.00 52.43 C ATOM 1114 CD PRO A 82 -7.067 -1.889 -26.873 1.00 40.40 C ATOM 0 HA PRO A 82 -4.322 -0.372 -25.988 1.00 63.35 H new ATOM 0 HB2 PRO A 82 -4.405 -1.059 -28.679 1.00 55.01 H new ATOM 0 HB3 PRO A 82 -4.276 -2.295 -27.443 1.00 55.01 H new ATOM 0 HG2 PRO A 82 -6.722 -1.348 -28.925 1.00 52.43 H new ATOM 0 HG3 PRO A 82 -6.242 -2.986 -28.528 1.00 52.43 H new ATOM 0 HD2 PRO A 82 -8.114 -1.654 -27.066 1.00 40.40 H new ATOM 0 HD3 PRO A 82 -7.048 -2.834 -26.330 1.00 40.40 H new ATOM 1122 N PRO A 83 -4.005 1.512 -27.693 1.00 60.14 N ATOM 1123 CA PRO A 83 -3.896 2.841 -28.302 1.00 5.11 C ATOM 1124 C PRO A 83 -4.443 2.874 -29.725 1.00 14.25 C ATOM 1125 O PRO A 83 -4.981 3.888 -30.169 1.00 32.01 O ATOM 1126 CB PRO A 83 -2.388 3.108 -28.303 1.00 32.31 C ATOM 1127 CG PRO A 83 -1.764 1.755 -28.306 1.00 72.12 C ATOM 1128 CD PRO A 83 -2.691 0.869 -27.520 1.00 53.35 C ATOM 0 HA PRO A 83 -4.475 3.587 -27.758 1.00 5.11 H new ATOM 0 HB2 PRO A 83 -2.088 3.684 -29.179 1.00 32.31 H new ATOM 0 HB3 PRO A 83 -2.087 3.681 -27.426 1.00 32.31 H new ATOM 0 HG2 PRO A 83 -1.640 1.385 -29.324 1.00 72.12 H new ATOM 0 HG3 PRO A 83 -0.773 1.782 -27.854 1.00 72.12 H new ATOM 0 HD2 PRO A 83 -2.690 -0.152 -27.901 1.00 53.35 H new ATOM 0 HD3 PRO A 83 -2.404 0.818 -26.470 1.00 53.35 H new ATOM 1136 N MET A 84 -4.303 1.759 -30.434 1.00 13.13 N ATOM 1137 CA MET A 84 -4.786 1.661 -31.806 1.00 54.02 C ATOM 1138 C MET A 84 -4.068 2.659 -32.708 1.00 44.42 C ATOM 1139 O MET A 84 -4.466 3.820 -32.807 1.00 54.02 O ATOM 1140 CB MET A 84 -6.296 1.905 -31.857 1.00 2.01 C ATOM 1141 CG MET A 84 -7.101 0.664 -32.206 1.00 23.30 C ATOM 1142 SD MET A 84 -8.182 0.914 -33.627 1.00 61.21 S ATOM 1143 CE MET A 84 -7.344 -0.070 -34.867 1.00 72.42 C ATOM 0 H MET A 84 -3.859 0.911 -30.081 1.00 13.13 H new ATOM 0 HA MET A 84 -4.575 0.654 -32.167 1.00 54.02 H new ATOM 0 HB2 MET A 84 -6.627 2.283 -30.890 1.00 2.01 H new ATOM 0 HB3 MET A 84 -6.505 2.682 -32.592 1.00 2.01 H new ATOM 0 HG2 MET A 84 -6.419 -0.160 -32.414 1.00 23.30 H new ATOM 0 HG3 MET A 84 -7.701 0.371 -31.345 1.00 23.30 H new ATOM 0 HE1 MET A 84 -7.894 -0.016 -35.807 1.00 72.42 H new ATOM 0 HE2 MET A 84 -6.334 0.314 -35.015 1.00 72.42 H new ATOM 0 HE3 MET A 84 -7.293 -1.107 -34.535 1.00 72.42 H new ATOM 1153 N TYR A 85 -3.007 2.201 -33.363 1.00 61.22 N ATOM 1154 CA TYR A 85 -2.231 3.055 -34.255 1.00 31.22 C ATOM 1155 C TYR A 85 -2.246 2.511 -35.680 1.00 74.11 C ATOM 1156 O TYR A 85 -1.911 1.350 -35.917 1.00 42.43 O ATOM 1157 CB TYR A 85 -0.790 3.171 -33.757 1.00 5.41 C ATOM 1158 CG TYR A 85 -0.269 4.591 -33.738 1.00 25.34 C ATOM 1159 CD1 TYR A 85 0.199 5.164 -32.561 1.00 60.32 C ATOM 1160 CD2 TYR A 85 -0.245 5.359 -34.895 1.00 24.11 C ATOM 1161 CE1 TYR A 85 0.675 6.460 -32.538 1.00 44.34 C ATOM 1162 CE2 TYR A 85 0.231 6.656 -34.882 1.00 23.42 C ATOM 1163 CZ TYR A 85 0.690 7.202 -33.701 1.00 71.12 C ATOM 1164 OH TYR A 85 1.163 8.494 -33.684 1.00 25.13 O ATOM 0 H TYR A 85 -2.664 1.243 -33.293 1.00 61.22 H new ATOM 0 HA TYR A 85 -2.688 4.044 -34.259 1.00 31.22 H new ATOM 0 HB2 TYR A 85 -0.728 2.756 -32.751 1.00 5.41 H new ATOM 0 HB3 TYR A 85 -0.145 2.564 -34.392 1.00 5.41 H new ATOM 0 HD1 TYR A 85 0.190 4.586 -31.649 1.00 60.32 H new ATOM 0 HD2 TYR A 85 -0.605 4.935 -35.821 1.00 24.11 H new ATOM 0 HE1 TYR A 85 1.034 6.890 -31.615 1.00 44.34 H new ATOM 0 HE2 TYR A 85 0.244 7.239 -35.791 1.00 23.42 H new ATOM 0 HH TYR A 85 1.105 8.875 -34.585 1.00 25.13 H new ATOM 1174 N ASP A 86 -2.638 3.358 -36.625 1.00 43.33 N ATOM 1175 CA ASP A 86 -2.696 2.965 -38.028 1.00 43.14 C ATOM 1176 C ASP A 86 -1.359 2.392 -38.488 1.00 22.53 C ATOM 1177 O ASP A 86 -1.312 1.362 -39.161 1.00 53.02 O ATOM 1178 CB ASP A 86 -3.078 4.162 -38.900 1.00 42.23 C ATOM 1179 CG ASP A 86 -4.546 4.521 -38.780 1.00 22.00 C ATOM 1180 OD1 ASP A 86 -5.385 3.781 -39.335 1.00 52.11 O ATOM 1181 OD2 ASP A 86 -4.856 5.541 -38.130 1.00 5.10 O ATOM 0 H ASP A 86 -2.920 4.321 -36.445 1.00 43.33 H new ATOM 0 HA ASP A 86 -3.457 2.192 -38.131 1.00 43.14 H new ATOM 0 HB2 ASP A 86 -2.472 5.023 -38.616 1.00 42.23 H new ATOM 0 HB3 ASP A 86 -2.846 3.938 -39.941 1.00 42.23 H new ATOM 1186 N ASP A 87 -0.274 3.065 -38.120 1.00 15.00 N ATOM 1187 CA ASP A 87 1.064 2.623 -38.494 1.00 72.41 C ATOM 1188 C ASP A 87 1.282 1.163 -38.107 1.00 52.30 C ATOM 1189 O ASP A 87 1.498 0.308 -38.966 1.00 33.23 O ATOM 1190 CB ASP A 87 2.121 3.504 -37.826 1.00 73.33 C ATOM 1191 CG ASP A 87 2.902 4.331 -38.828 1.00 51.11 C ATOM 1192 OD1 ASP A 87 2.939 5.570 -38.674 1.00 53.15 O ATOM 1193 OD2 ASP A 87 3.477 3.740 -39.765 1.00 61.52 O ATOM 0 H ASP A 87 -0.295 3.919 -37.563 1.00 15.00 H new ATOM 0 HA ASP A 87 1.160 2.712 -39.576 1.00 72.41 H new ATOM 0 HB2 ASP A 87 1.637 4.168 -37.110 1.00 73.33 H new ATOM 0 HB3 ASP A 87 2.810 2.875 -37.262 1.00 73.33 H new ATOM 1198 N VAL A 88 1.225 0.886 -36.808 1.00 72.12 N ATOM 1199 CA VAL A 88 1.416 -0.470 -36.307 1.00 11.21 C ATOM 1200 C VAL A 88 0.312 -0.854 -35.328 1.00 23.41 C ATOM 1201 O VAL A 88 0.020 -0.117 -34.387 1.00 70.00 O ATOM 1202 CB VAL A 88 2.781 -0.624 -35.611 1.00 2.53 C ATOM 1203 CG1 VAL A 88 2.982 -2.056 -35.139 1.00 11.53 C ATOM 1204 CG2 VAL A 88 3.905 -0.198 -36.543 1.00 62.33 C ATOM 0 H VAL A 88 1.048 1.582 -36.084 1.00 72.12 H new ATOM 0 HA VAL A 88 1.380 -1.135 -37.170 1.00 11.21 H new ATOM 0 HB VAL A 88 2.799 0.027 -34.737 1.00 2.53 H new ATOM 0 HG11 VAL A 88 3.952 -2.145 -34.650 1.00 11.53 H new ATOM 0 HG12 VAL A 88 2.194 -2.321 -34.434 1.00 11.53 H new ATOM 0 HG13 VAL A 88 2.944 -2.730 -35.995 1.00 11.53 H new ATOM 0 HG21 VAL A 88 4.862 -0.313 -36.035 1.00 62.33 H new ATOM 0 HG22 VAL A 88 3.892 -0.821 -37.438 1.00 62.33 H new ATOM 0 HG23 VAL A 88 3.768 0.846 -36.825 1.00 62.33 H new ATOM 1214 N GLN A 89 -0.296 -2.014 -35.556 1.00 53.44 N ATOM 1215 CA GLN A 89 -1.368 -2.496 -34.694 1.00 34.01 C ATOM 1216 C GLN A 89 -0.848 -2.789 -33.291 1.00 10.25 C ATOM 1217 O GLN A 89 0.055 -3.607 -33.110 1.00 33.12 O ATOM 1218 CB GLN A 89 -2.003 -3.755 -35.288 1.00 44.34 C ATOM 1219 CG GLN A 89 -3.512 -3.661 -35.441 1.00 32.51 C ATOM 1220 CD GLN A 89 -4.181 -5.022 -35.474 1.00 45.21 C ATOM 1221 OE1 GLN A 89 -4.918 -5.387 -34.558 1.00 3.43 O ATOM 1222 NE2 GLN A 89 -3.926 -5.781 -36.533 1.00 52.14 N ATOM 0 H GLN A 89 -0.064 -2.637 -36.330 1.00 53.44 H new ATOM 0 HA GLN A 89 -2.124 -1.714 -34.626 1.00 34.01 H new ATOM 0 HB2 GLN A 89 -1.559 -3.950 -36.264 1.00 44.34 H new ATOM 0 HB3 GLN A 89 -1.763 -4.607 -34.652 1.00 44.34 H new ATOM 0 HG2 GLN A 89 -3.922 -3.079 -34.615 1.00 32.51 H new ATOM 0 HG3 GLN A 89 -3.748 -3.122 -36.359 1.00 32.51 H new ATOM 0 HE21 GLN A 89 -3.309 -5.438 -37.269 1.00 52.14 H new ATOM 0 HE22 GLN A 89 -4.347 -6.707 -36.610 1.00 52.14 H new ATOM 1231 N LEU A 90 -1.422 -2.115 -32.300 1.00 32.52 N ATOM 1232 CA LEU A 90 -1.016 -2.303 -30.911 1.00 52.02 C ATOM 1233 C LEU A 90 -2.000 -3.205 -30.173 1.00 54.21 C ATOM 1234 O LEU A 90 -3.216 -3.048 -30.296 1.00 63.52 O ATOM 1235 CB LEU A 90 -0.915 -0.951 -30.202 1.00 24.51 C ATOM 1236 CG LEU A 90 0.490 -0.517 -29.784 1.00 5.05 C ATOM 1237 CD1 LEU A 90 1.147 -1.588 -28.926 1.00 42.41 C ATOM 1238 CD2 LEU A 90 1.342 -0.215 -31.008 1.00 21.10 C ATOM 0 H LEU A 90 -2.170 -1.434 -32.432 1.00 32.52 H new ATOM 0 HA LEU A 90 -0.038 -2.784 -30.906 1.00 52.02 H new ATOM 0 HB2 LEU A 90 -1.329 -0.187 -30.859 1.00 24.51 H new ATOM 0 HB3 LEU A 90 -1.544 -0.982 -29.312 1.00 24.51 H new ATOM 0 HG LEU A 90 0.406 0.394 -29.191 1.00 5.05 H new ATOM 0 HD11 LEU A 90 2.146 -1.261 -28.638 1.00 42.41 H new ATOM 0 HD12 LEU A 90 0.548 -1.755 -28.031 1.00 42.41 H new ATOM 0 HD13 LEU A 90 1.218 -2.516 -29.494 1.00 42.41 H new ATOM 0 HD21 LEU A 90 2.339 0.092 -30.691 1.00 21.10 H new ATOM 0 HD22 LEU A 90 1.418 -1.108 -31.628 1.00 21.10 H new ATOM 0 HD23 LEU A 90 0.881 0.588 -31.583 1.00 21.10 H new ATOM 1250 N THR A 91 -1.468 -4.149 -29.403 1.00 44.32 N ATOM 1251 CA THR A 91 -2.298 -5.075 -28.644 1.00 52.11 C ATOM 1252 C THR A 91 -1.893 -5.099 -27.175 1.00 20.12 C ATOM 1253 O THR A 91 -0.880 -5.696 -26.810 1.00 55.12 O ATOM 1254 CB THR A 91 -2.210 -6.504 -29.213 1.00 13.23 C ATOM 1255 OG1 THR A 91 -1.860 -6.458 -30.600 1.00 73.15 O ATOM 1256 CG2 THR A 91 -3.532 -7.236 -29.042 1.00 34.42 C ATOM 0 H THR A 91 -0.465 -4.292 -29.289 1.00 44.32 H new ATOM 0 HA THR A 91 -3.325 -4.721 -28.729 1.00 52.11 H new ATOM 0 HB THR A 91 -1.440 -7.044 -28.663 1.00 13.23 H new ATOM 0 HG1 THR A 91 -1.804 -7.370 -30.954 1.00 73.15 H new ATOM 0 HG21 THR A 91 -3.446 -8.243 -29.451 1.00 34.42 H new ATOM 0 HG22 THR A 91 -3.781 -7.295 -27.982 1.00 34.42 H new ATOM 0 HG23 THR A 91 -4.318 -6.696 -29.570 1.00 34.42 H new ATOM 1264 N ALA A 92 -2.690 -4.447 -26.335 1.00 74.10 N ATOM 1265 CA ALA A 92 -2.416 -4.397 -24.904 1.00 43.54 C ATOM 1266 C ALA A 92 -3.426 -5.228 -24.122 1.00 30.43 C ATOM 1267 O ALA A 92 -4.601 -5.293 -24.481 1.00 51.01 O ATOM 1268 CB ALA A 92 -2.424 -2.956 -24.416 1.00 12.40 C ATOM 0 H ALA A 92 -3.531 -3.946 -26.621 1.00 74.10 H new ATOM 0 HA ALA A 92 -1.427 -4.822 -24.733 1.00 43.54 H new ATOM 0 HB1 ALA A 92 -2.218 -2.933 -23.346 1.00 12.40 H new ATOM 0 HB2 ALA A 92 -1.658 -2.388 -24.945 1.00 12.40 H new ATOM 0 HB3 ALA A 92 -3.401 -2.513 -24.607 1.00 12.40 H new ATOM 1274 N GLU A 93 -2.960 -5.864 -23.051 1.00 41.30 N ATOM 1275 CA GLU A 93 -3.824 -6.693 -22.219 1.00 40.11 C ATOM 1276 C GLU A 93 -4.005 -6.074 -20.836 1.00 42.31 C ATOM 1277 O GLU A 93 -3.279 -5.156 -20.456 1.00 41.51 O ATOM 1278 CB GLU A 93 -3.243 -8.102 -22.087 1.00 64.11 C ATOM 1279 CG GLU A 93 -3.692 -9.051 -23.185 1.00 64.15 C ATOM 1280 CD GLU A 93 -4.886 -9.891 -22.778 1.00 72.52 C ATOM 1281 OE1 GLU A 93 -4.833 -11.126 -22.962 1.00 41.33 O ATOM 1282 OE2 GLU A 93 -5.874 -9.316 -22.276 1.00 2.20 O ATOM 0 H GLU A 93 -1.990 -5.821 -22.740 1.00 41.30 H new ATOM 0 HA GLU A 93 -4.800 -6.754 -22.701 1.00 40.11 H new ATOM 0 HB2 GLU A 93 -2.155 -8.039 -22.095 1.00 64.11 H new ATOM 0 HB3 GLU A 93 -3.531 -8.516 -21.121 1.00 64.11 H new ATOM 0 HG2 GLU A 93 -3.944 -8.476 -24.076 1.00 64.15 H new ATOM 0 HG3 GLU A 93 -2.865 -9.708 -23.453 1.00 64.15 H new ATOM 1289 N MET A 94 -4.979 -6.583 -20.089 1.00 25.31 N ATOM 1290 CA MET A 94 -5.255 -6.081 -18.748 1.00 23.11 C ATOM 1291 C MET A 94 -4.674 -7.012 -17.688 1.00 63.14 C ATOM 1292 O MET A 94 -4.528 -8.213 -17.915 1.00 63.42 O ATOM 1293 CB MET A 94 -6.762 -5.928 -18.538 1.00 34.41 C ATOM 1294 CG MET A 94 -7.133 -4.787 -17.605 1.00 55.34 C ATOM 1295 SD MET A 94 -8.830 -4.223 -17.838 1.00 73.14 S ATOM 1296 CE MET A 94 -9.066 -3.238 -16.361 1.00 43.12 C ATOM 0 H MET A 94 -5.590 -7.342 -20.389 1.00 25.31 H new ATOM 0 HA MET A 94 -4.780 -5.105 -18.648 1.00 23.11 H new ATOM 0 HB2 MET A 94 -7.241 -5.767 -19.504 1.00 34.41 H new ATOM 0 HB3 MET A 94 -7.161 -6.859 -18.136 1.00 34.41 H new ATOM 0 HG2 MET A 94 -7.000 -5.109 -16.572 1.00 55.34 H new ATOM 0 HG3 MET A 94 -6.451 -3.953 -17.769 1.00 55.34 H new ATOM 0 HE1 MET A 94 -10.073 -2.820 -16.360 1.00 43.12 H new ATOM 0 HE2 MET A 94 -8.933 -3.866 -15.480 1.00 43.12 H new ATOM 0 HE3 MET A 94 -8.337 -2.428 -16.343 1.00 43.12 H new ATOM 1306 N LYS A 95 -4.343 -6.450 -16.531 1.00 32.24 N ATOM 1307 CA LYS A 95 -3.779 -7.229 -15.435 1.00 62.40 C ATOM 1308 C LYS A 95 -4.738 -8.334 -15.003 1.00 24.14 C ATOM 1309 O LYS A 95 -4.321 -9.460 -14.726 1.00 52.33 O ATOM 1310 CB LYS A 95 -3.462 -6.320 -14.246 1.00 21.14 C ATOM 1311 CG LYS A 95 -4.653 -5.508 -13.767 1.00 4.13 C ATOM 1312 CD LYS A 95 -4.219 -4.351 -12.882 1.00 31.44 C ATOM 1313 CE LYS A 95 -5.306 -3.293 -12.775 1.00 34.22 C ATOM 1314 NZ LYS A 95 -5.769 -3.113 -11.371 1.00 1.12 N ATOM 0 H LYS A 95 -4.456 -5.457 -16.328 1.00 32.24 H new ATOM 0 HA LYS A 95 -2.856 -7.690 -15.787 1.00 62.40 H new ATOM 0 HB2 LYS A 95 -3.093 -6.930 -13.421 1.00 21.14 H new ATOM 0 HB3 LYS A 95 -2.657 -5.640 -14.524 1.00 21.14 H new ATOM 0 HG2 LYS A 95 -5.202 -5.124 -14.627 1.00 4.13 H new ATOM 0 HG3 LYS A 95 -5.336 -6.153 -13.215 1.00 4.13 H new ATOM 0 HD2 LYS A 95 -3.974 -4.724 -11.888 1.00 31.44 H new ATOM 0 HD3 LYS A 95 -3.312 -3.902 -13.287 1.00 31.44 H new ATOM 0 HE2 LYS A 95 -4.928 -2.345 -13.157 1.00 34.22 H new ATOM 0 HE3 LYS A 95 -6.151 -3.576 -13.403 1.00 34.22 H new ATOM 0 HZ1 LYS A 95 -6.510 -2.384 -11.341 1.00 1.12 H new ATOM 0 HZ2 LYS A 95 -6.153 -4.011 -11.014 1.00 1.12 H new ATOM 0 HZ3 LYS A 95 -4.968 -2.818 -10.776 1.00 1.12 H new ATOM 1328 N THR A 96 -6.025 -8.006 -14.947 1.00 61.21 N ATOM 1329 CA THR A 96 -7.043 -8.970 -14.549 1.00 23.31 C ATOM 1330 C THR A 96 -7.103 -10.140 -15.524 1.00 72.42 C ATOM 1331 O THR A 96 -7.099 -11.303 -15.117 1.00 42.23 O ATOM 1332 CB THR A 96 -8.434 -8.315 -14.464 1.00 32.32 C ATOM 1333 OG1 THR A 96 -8.324 -6.902 -14.669 1.00 30.44 O ATOM 1334 CG2 THR A 96 -9.079 -8.588 -13.113 1.00 71.33 C ATOM 0 H THR A 96 -6.387 -7.079 -15.172 1.00 61.21 H new ATOM 0 HA THR A 96 -6.762 -9.337 -13.562 1.00 23.31 H new ATOM 0 HB THR A 96 -9.063 -8.747 -15.243 1.00 32.32 H new ATOM 0 HG1 THR A 96 -9.213 -6.493 -14.615 1.00 30.44 H new ATOM 0 HG21 THR A 96 -10.061 -8.116 -13.076 1.00 71.33 H new ATOM 0 HG22 THR A 96 -9.188 -9.663 -12.973 1.00 71.33 H new ATOM 0 HG23 THR A 96 -8.451 -8.181 -12.321 1.00 71.33 H new ATOM 1342 N THR A 97 -7.159 -9.827 -16.815 1.00 10.21 N ATOM 1343 CA THR A 97 -7.221 -10.852 -17.849 1.00 23.44 C ATOM 1344 C THR A 97 -6.072 -11.845 -17.708 1.00 12.31 C ATOM 1345 O THR A 97 -6.290 -13.053 -17.619 1.00 74.23 O ATOM 1346 CB THR A 97 -7.179 -10.233 -19.258 1.00 42.51 C ATOM 1347 OG1 THR A 97 -8.063 -9.108 -19.325 1.00 72.44 O ATOM 1348 CG2 THR A 97 -7.572 -11.257 -20.312 1.00 22.13 C ATOM 0 H THR A 97 -7.163 -8.871 -17.169 1.00 10.21 H new ATOM 0 HA THR A 97 -8.168 -11.375 -17.719 1.00 23.44 H new ATOM 0 HB THR A 97 -6.158 -9.905 -19.456 1.00 42.51 H new ATOM 0 HG1 THR A 97 -8.029 -8.719 -20.224 1.00 72.44 H new ATOM 0 HG21 THR A 97 -7.535 -10.796 -21.299 1.00 22.13 H new ATOM 0 HG22 THR A 97 -6.880 -12.098 -20.278 1.00 22.13 H new ATOM 0 HG23 THR A 97 -8.584 -11.612 -20.115 1.00 22.13 H new ATOM 1356 N TYR A 98 -4.849 -11.327 -17.687 1.00 61.43 N ATOM 1357 CA TYR A 98 -3.665 -12.169 -17.559 1.00 12.01 C ATOM 1358 C TYR A 98 -3.730 -13.010 -16.288 1.00 33.41 C ATOM 1359 O TYR A 98 -3.486 -14.217 -16.315 1.00 31.42 O ATOM 1360 CB TYR A 98 -2.401 -11.309 -17.550 1.00 45.32 C ATOM 1361 CG TYR A 98 -1.429 -11.649 -18.657 1.00 61.24 C ATOM 1362 CD1 TYR A 98 -0.878 -10.654 -19.456 1.00 13.14 C ATOM 1363 CD2 TYR A 98 -1.062 -12.966 -18.906 1.00 50.13 C ATOM 1364 CE1 TYR A 98 0.009 -10.960 -20.469 1.00 23.21 C ATOM 1365 CE2 TYR A 98 -0.174 -13.281 -19.916 1.00 70.43 C ATOM 1366 CZ TYR A 98 0.359 -12.275 -20.695 1.00 33.20 C ATOM 1367 OH TYR A 98 1.243 -12.585 -21.703 1.00 75.50 O ATOM 0 H TYR A 98 -4.651 -10.329 -17.757 1.00 61.43 H new ATOM 0 HA TYR A 98 -3.633 -12.841 -18.417 1.00 12.01 H new ATOM 0 HB2 TYR A 98 -2.685 -10.260 -17.637 1.00 45.32 H new ATOM 0 HB3 TYR A 98 -1.899 -11.425 -16.589 1.00 45.32 H new ATOM 0 HD1 TYR A 98 -1.148 -9.623 -19.281 1.00 13.14 H new ATOM 0 HD2 TYR A 98 -1.478 -13.757 -18.299 1.00 50.13 H new ATOM 0 HE1 TYR A 98 0.426 -10.174 -21.081 1.00 23.21 H new ATOM 0 HE2 TYR A 98 0.102 -14.310 -20.095 1.00 70.43 H new ATOM 0 HH TYR A 98 1.384 -13.555 -21.728 1.00 75.50 H new ATOM 1377 N LEU A 99 -4.062 -12.365 -15.175 1.00 42.44 N ATOM 1378 CA LEU A 99 -4.161 -13.052 -13.892 1.00 45.24 C ATOM 1379 C LEU A 99 -5.061 -14.278 -13.999 1.00 74.03 C ATOM 1380 O LEU A 99 -4.713 -15.359 -13.525 1.00 50.40 O ATOM 1381 CB LEU A 99 -4.699 -12.101 -12.822 1.00 53.22 C ATOM 1382 CG LEU A 99 -4.757 -12.656 -11.399 1.00 13.14 C ATOM 1383 CD1 LEU A 99 -4.191 -11.649 -10.410 1.00 24.24 C ATOM 1384 CD2 LEU A 99 -6.186 -13.024 -11.028 1.00 34.33 C ATOM 0 H LEU A 99 -4.267 -11.367 -15.135 1.00 42.44 H new ATOM 0 HA LEU A 99 -3.162 -13.382 -13.606 1.00 45.24 H new ATOM 0 HB2 LEU A 99 -4.079 -11.205 -12.816 1.00 53.22 H new ATOM 0 HB3 LEU A 99 -5.703 -11.792 -13.111 1.00 53.22 H new ATOM 0 HG LEU A 99 -4.147 -13.559 -11.357 1.00 13.14 H new ATOM 0 HD11 LEU A 99 -4.241 -12.061 -9.402 1.00 24.24 H new ATOM 0 HD12 LEU A 99 -3.153 -11.434 -10.663 1.00 24.24 H new ATOM 0 HD13 LEU A 99 -4.773 -10.729 -10.454 1.00 24.24 H new ATOM 0 HD21 LEU A 99 -6.208 -13.417 -10.012 1.00 34.33 H new ATOM 0 HD22 LEU A 99 -6.817 -12.137 -11.088 1.00 34.33 H new ATOM 0 HD23 LEU A 99 -6.558 -13.781 -11.718 1.00 34.33 H new ATOM 1396 N GLU A 100 -6.220 -14.102 -14.627 1.00 41.02 N ATOM 1397 CA GLU A 100 -7.170 -15.195 -14.797 1.00 64.33 C ATOM 1398 C GLU A 100 -6.593 -16.281 -15.702 1.00 14.21 C ATOM 1399 O GLU A 100 -6.783 -17.472 -15.458 1.00 20.43 O ATOM 1400 CB GLU A 100 -8.483 -14.673 -15.382 1.00 54.23 C ATOM 1401 CG GLU A 100 -9.708 -15.060 -14.570 1.00 61.14 C ATOM 1402 CD GLU A 100 -10.987 -14.463 -15.124 1.00 34.15 C ATOM 1403 OE1 GLU A 100 -11.104 -13.220 -15.135 1.00 55.32 O ATOM 1404 OE2 GLU A 100 -11.871 -15.238 -15.544 1.00 71.42 O ATOM 0 H GLU A 100 -6.523 -13.214 -15.026 1.00 41.02 H new ATOM 0 HA GLU A 100 -7.365 -15.629 -13.816 1.00 64.33 H new ATOM 0 HB2 GLU A 100 -8.433 -13.586 -15.453 1.00 54.23 H new ATOM 0 HB3 GLU A 100 -8.595 -15.054 -16.397 1.00 54.23 H new ATOM 0 HG2 GLU A 100 -9.797 -16.146 -14.549 1.00 61.14 H new ATOM 0 HG3 GLU A 100 -9.575 -14.732 -13.539 1.00 61.14 H new ATOM 1411 N ARG A 101 -5.890 -15.859 -16.748 1.00 23.34 N ATOM 1412 CA ARG A 101 -5.287 -16.794 -17.690 1.00 72.30 C ATOM 1413 C ARG A 101 -4.326 -17.741 -16.977 1.00 73.42 C ATOM 1414 O ARG A 101 -4.496 -18.960 -17.015 1.00 70.22 O ATOM 1415 CB ARG A 101 -4.547 -16.035 -18.793 1.00 12.55 C ATOM 1416 CG ARG A 101 -4.752 -16.621 -20.180 1.00 33.24 C ATOM 1417 CD ARG A 101 -6.178 -16.414 -20.667 1.00 21.22 C ATOM 1418 NE ARG A 101 -6.357 -15.109 -21.297 1.00 10.24 N ATOM 1419 CZ ARG A 101 -7.414 -14.788 -22.035 1.00 3.22 C ATOM 1420 NH1 ARG A 101 -8.381 -15.673 -22.234 1.00 42.42 N ATOM 1421 NH2 ARG A 101 -7.505 -13.579 -22.575 1.00 22.22 N ATOM 0 H ARG A 101 -5.724 -14.876 -16.964 1.00 23.34 H new ATOM 0 HA ARG A 101 -6.086 -17.384 -18.138 1.00 72.30 H new ATOM 0 HB2 ARG A 101 -4.880 -14.997 -18.794 1.00 12.55 H new ATOM 0 HB3 ARG A 101 -3.481 -16.028 -18.565 1.00 12.55 H new ATOM 0 HG2 ARG A 101 -4.057 -16.156 -20.879 1.00 33.24 H new ATOM 0 HG3 ARG A 101 -4.523 -17.687 -20.164 1.00 33.24 H new ATOM 0 HD2 ARG A 101 -6.435 -17.198 -21.379 1.00 21.22 H new ATOM 0 HD3 ARG A 101 -6.865 -16.508 -19.826 1.00 21.22 H new ATOM 0 HE ARG A 101 -5.631 -14.405 -21.163 1.00 10.24 H new ATOM 0 HH11 ARG A 101 -8.314 -16.603 -21.820 1.00 42.42 H new ATOM 0 HH12 ARG A 101 -9.191 -15.424 -22.801 1.00 42.42 H new ATOM 0 HH21 ARG A 101 -6.763 -12.896 -22.424 1.00 22.22 H new ATOM 0 HH22 ARG A 101 -8.317 -13.333 -23.142 1.00 22.22 H new ATOM 1435 N LYS A 102 -3.316 -17.173 -16.328 1.00 13.43 N ATOM 1436 CA LYS A 102 -2.328 -17.964 -15.605 1.00 61.42 C ATOM 1437 C LYS A 102 -2.991 -18.796 -14.511 1.00 42.34 C ATOM 1438 O LYS A 102 -2.638 -19.956 -14.301 1.00 12.32 O ATOM 1439 CB LYS A 102 -1.263 -17.052 -14.992 1.00 64.45 C ATOM 1440 CG LYS A 102 -1.829 -15.997 -14.058 1.00 74.34 C ATOM 1441 CD LYS A 102 -0.775 -14.976 -13.665 1.00 60.24 C ATOM 1442 CE LYS A 102 0.218 -15.556 -12.669 1.00 40.55 C ATOM 1443 NZ LYS A 102 0.854 -14.495 -11.839 1.00 74.13 N ATOM 0 H LYS A 102 -3.160 -16.166 -16.288 1.00 13.43 H new ATOM 0 HA LYS A 102 -1.853 -18.641 -16.314 1.00 61.42 H new ATOM 0 HB2 LYS A 102 -0.546 -17.663 -14.444 1.00 64.45 H new ATOM 0 HB3 LYS A 102 -0.714 -16.558 -15.794 1.00 64.45 H new ATOM 0 HG2 LYS A 102 -2.664 -15.491 -14.543 1.00 74.34 H new ATOM 0 HG3 LYS A 102 -2.224 -16.477 -13.162 1.00 74.34 H new ATOM 0 HD2 LYS A 102 -0.244 -14.638 -14.555 1.00 60.24 H new ATOM 0 HD3 LYS A 102 -1.258 -14.101 -13.231 1.00 60.24 H new ATOM 0 HE2 LYS A 102 -0.292 -16.268 -12.020 1.00 40.55 H new ATOM 0 HE3 LYS A 102 0.989 -16.109 -13.205 1.00 40.55 H new ATOM 0 HZ1 LYS A 102 1.524 -14.930 -11.173 1.00 74.13 H new ATOM 0 HZ2 LYS A 102 1.362 -13.830 -12.456 1.00 74.13 H new ATOM 0 HZ3 LYS A 102 0.121 -13.984 -11.308 1.00 74.13 H new ATOM 1457 N ALA A 103 -3.953 -18.195 -13.819 1.00 73.03 N ATOM 1458 CA ALA A 103 -4.668 -18.881 -12.750 1.00 65.40 C ATOM 1459 C ALA A 103 -5.297 -20.176 -13.253 1.00 62.11 C ATOM 1460 O ALA A 103 -5.210 -21.214 -12.598 1.00 0.02 O ATOM 1461 CB ALA A 103 -5.732 -17.970 -12.157 1.00 32.40 C ATOM 0 H ALA A 103 -4.255 -17.234 -13.980 1.00 73.03 H new ATOM 0 HA ALA A 103 -3.949 -19.136 -11.971 1.00 65.40 H new ATOM 0 HB1 ALA A 103 -6.258 -18.496 -11.360 1.00 32.40 H new ATOM 0 HB2 ALA A 103 -5.260 -17.075 -11.752 1.00 32.40 H new ATOM 0 HB3 ALA A 103 -6.442 -17.686 -12.934 1.00 32.40 H new ATOM 1467 N GLU A 104 -5.931 -20.107 -14.420 1.00 4.54 N ATOM 1468 CA GLU A 104 -6.576 -21.274 -15.009 1.00 23.14 C ATOM 1469 C GLU A 104 -5.538 -22.270 -15.518 1.00 23.11 C ATOM 1470 O GLU A 104 -5.736 -23.482 -15.440 1.00 25.04 O ATOM 1471 CB GLU A 104 -7.498 -20.851 -16.154 1.00 20.41 C ATOM 1472 CG GLU A 104 -8.973 -21.056 -15.855 1.00 35.44 C ATOM 1473 CD GLU A 104 -9.641 -22.002 -16.834 1.00 34.34 C ATOM 1474 OE1 GLU A 104 -9.541 -23.231 -16.633 1.00 1.11 O ATOM 1475 OE2 GLU A 104 -10.264 -21.515 -17.800 1.00 10.32 O ATOM 0 H GLU A 104 -6.011 -19.255 -14.975 1.00 4.54 H new ATOM 0 HA GLU A 104 -7.170 -21.759 -14.234 1.00 23.14 H new ATOM 0 HB2 GLU A 104 -7.324 -19.799 -16.379 1.00 20.41 H new ATOM 0 HB3 GLU A 104 -7.235 -21.416 -17.048 1.00 20.41 H new ATOM 0 HG2 GLU A 104 -9.084 -21.448 -14.844 1.00 35.44 H new ATOM 0 HG3 GLU A 104 -9.482 -20.093 -15.881 1.00 35.44 H new ATOM 1482 N GLU A 105 -4.432 -21.749 -16.040 1.00 40.41 N ATOM 1483 CA GLU A 105 -3.364 -22.592 -16.564 1.00 1.14 C ATOM 1484 C GLU A 105 -2.805 -23.502 -15.473 1.00 50.33 C ATOM 1485 O GLU A 105 -2.825 -24.726 -15.601 1.00 74.24 O ATOM 1486 CB GLU A 105 -2.243 -21.730 -17.148 1.00 1.32 C ATOM 1487 CG GLU A 105 -1.144 -22.534 -17.822 1.00 32.44 C ATOM 1488 CD GLU A 105 -0.131 -21.658 -18.532 1.00 10.11 C ATOM 1489 OE1 GLU A 105 1.036 -21.622 -18.088 1.00 60.45 O ATOM 1490 OE2 GLU A 105 -0.505 -21.008 -19.530 1.00 44.42 O ATOM 0 H GLU A 105 -4.252 -20.747 -16.111 1.00 40.41 H new ATOM 0 HA GLU A 105 -3.782 -23.215 -17.355 1.00 1.14 H new ATOM 0 HB2 GLU A 105 -2.670 -21.036 -17.872 1.00 1.32 H new ATOM 0 HB3 GLU A 105 -1.805 -21.130 -16.351 1.00 1.32 H new ATOM 0 HG2 GLU A 105 -0.633 -23.141 -17.075 1.00 32.44 H new ATOM 0 HG3 GLU A 105 -1.591 -23.222 -18.540 1.00 32.44 H new ATOM 1497 N ILE A 106 -2.306 -22.894 -14.402 1.00 54.11 N ATOM 1498 CA ILE A 106 -1.743 -23.648 -13.290 1.00 23.34 C ATOM 1499 C ILE A 106 -2.783 -24.576 -12.671 1.00 60.02 C ATOM 1500 O ILE A 106 -2.457 -25.667 -12.204 1.00 72.04 O ATOM 1501 CB ILE A 106 -1.191 -22.713 -12.197 1.00 73.12 C ATOM 1502 CG1 ILE A 106 -0.593 -23.530 -11.050 1.00 64.13 C ATOM 1503 CG2 ILE A 106 -2.289 -21.794 -11.683 1.00 52.12 C ATOM 1504 CD1 ILE A 106 0.554 -24.420 -11.476 1.00 41.34 C ATOM 0 H ILE A 106 -2.280 -21.881 -14.281 1.00 54.11 H new ATOM 0 HA ILE A 106 -0.925 -24.243 -13.696 1.00 23.34 H new ATOM 0 HB ILE A 106 -0.402 -22.098 -12.630 1.00 73.12 H new ATOM 0 HG12 ILE A 106 -0.245 -22.850 -10.273 1.00 64.13 H new ATOM 0 HG13 ILE A 106 -1.375 -24.146 -10.607 1.00 64.13 H new ATOM 0 HG21 ILE A 106 -1.884 -21.139 -10.911 1.00 52.12 H new ATOM 0 HG22 ILE A 106 -2.673 -21.191 -12.506 1.00 52.12 H new ATOM 0 HG23 ILE A 106 -3.098 -22.392 -11.263 1.00 52.12 H new ATOM 0 HD11 ILE A 106 0.929 -24.969 -10.612 1.00 41.34 H new ATOM 0 HD12 ILE A 106 0.207 -25.125 -12.231 1.00 41.34 H new ATOM 0 HD13 ILE A 106 1.354 -23.808 -11.892 1.00 41.34 H new ATOM 1516 N ALA A 107 -4.037 -24.135 -12.673 1.00 63.13 N ATOM 1517 CA ALA A 107 -5.126 -24.927 -12.116 1.00 70.31 C ATOM 1518 C ALA A 107 -5.274 -26.253 -12.855 1.00 32.12 C ATOM 1519 O ALA A 107 -5.533 -27.289 -12.244 1.00 35.33 O ATOM 1520 CB ALA A 107 -6.429 -24.143 -12.168 1.00 70.42 C ATOM 0 H ALA A 107 -4.323 -23.233 -13.054 1.00 63.13 H new ATOM 0 HA ALA A 107 -4.888 -25.146 -11.075 1.00 70.31 H new ATOM 0 HB1 ALA A 107 -7.234 -24.747 -11.749 1.00 70.42 H new ATOM 0 HB2 ALA A 107 -6.325 -23.225 -11.589 1.00 70.42 H new ATOM 0 HB3 ALA A 107 -6.663 -23.895 -13.203 1.00 70.42 H new ATOM 1526 N ALA A 108 -5.109 -26.213 -14.173 1.00 4.51 N ATOM 1527 CA ALA A 108 -5.223 -27.411 -14.994 1.00 62.24 C ATOM 1528 C ALA A 108 -4.157 -28.436 -14.621 1.00 34.22 C ATOM 1529 O ALA A 108 -4.419 -29.639 -14.597 1.00 73.12 O ATOM 1530 CB ALA A 108 -5.118 -27.052 -16.469 1.00 74.12 C ATOM 0 H ALA A 108 -4.896 -25.363 -14.695 1.00 4.51 H new ATOM 0 HA ALA A 108 -6.200 -27.857 -14.808 1.00 62.24 H new ATOM 0 HB1 ALA A 108 -5.205 -27.957 -17.071 1.00 74.12 H new ATOM 0 HB2 ALA A 108 -5.919 -26.362 -16.733 1.00 74.12 H new ATOM 0 HB3 ALA A 108 -4.155 -26.580 -16.661 1.00 74.12 H new ATOM 1536 N LYS A 109 -2.954 -27.953 -14.330 1.00 34.11 N ATOM 1537 CA LYS A 109 -1.848 -28.827 -13.957 1.00 12.43 C ATOM 1538 C LYS A 109 -2.138 -29.539 -12.639 1.00 51.04 C ATOM 1539 O LYS A 109 -2.035 -30.762 -12.547 1.00 74.43 O ATOM 1540 CB LYS A 109 -0.552 -28.021 -13.839 1.00 15.03 C ATOM 1541 CG LYS A 109 -0.078 -27.436 -15.158 1.00 1.35 C ATOM 1542 CD LYS A 109 0.596 -28.487 -16.024 1.00 12.32 C ATOM 1543 CE LYS A 109 -0.368 -29.067 -17.047 1.00 53.02 C ATOM 1544 NZ LYS A 109 -0.090 -30.505 -17.318 1.00 15.30 N ATOM 0 H LYS A 109 -2.720 -26.960 -14.345 1.00 34.11 H new ATOM 0 HA LYS A 109 -1.732 -29.579 -14.738 1.00 12.43 H new ATOM 0 HB2 LYS A 109 -0.701 -27.211 -13.125 1.00 15.03 H new ATOM 0 HB3 LYS A 109 0.230 -28.663 -13.434 1.00 15.03 H new ATOM 0 HG2 LYS A 109 -0.926 -27.011 -15.694 1.00 1.35 H new ATOM 0 HG3 LYS A 109 0.619 -26.620 -14.966 1.00 1.35 H new ATOM 0 HD2 LYS A 109 1.450 -28.044 -16.537 1.00 12.32 H new ATOM 0 HD3 LYS A 109 0.983 -29.287 -15.393 1.00 12.32 H new ATOM 0 HE2 LYS A 109 -1.391 -28.957 -16.686 1.00 53.02 H new ATOM 0 HE3 LYS A 109 -0.295 -28.502 -17.976 1.00 53.02 H new ATOM 0 HZ1 LYS A 109 -0.768 -30.863 -18.020 1.00 15.30 H new ATOM 0 HZ2 LYS A 109 0.877 -30.608 -17.687 1.00 15.30 H new ATOM 0 HZ3 LYS A 109 -0.184 -31.049 -16.437 1.00 15.30 H new ATOM 1558 N LYS A 110 -2.502 -28.766 -11.622 1.00 30.13 N ATOM 1559 CA LYS A 110 -2.810 -29.323 -10.310 1.00 1.54 C ATOM 1560 C LYS A 110 -4.280 -29.720 -10.218 1.00 43.04 C ATOM 1561 O LYS A 110 -4.624 -30.896 -10.341 1.00 44.25 O ATOM 1562 CB LYS A 110 -2.475 -28.310 -9.212 1.00 54.21 C ATOM 1563 CG LYS A 110 -1.131 -28.553 -8.549 1.00 62.30 C ATOM 1564 CD LYS A 110 -0.027 -27.748 -9.214 1.00 12.33 C ATOM 1565 CE LYS A 110 1.021 -28.652 -9.844 1.00 31.22 C ATOM 1566 NZ LYS A 110 1.818 -27.939 -10.880 1.00 72.33 N ATOM 0 H LYS A 110 -2.591 -27.752 -11.681 1.00 30.13 H new ATOM 0 HA LYS A 110 -2.201 -30.216 -10.171 1.00 1.54 H new ATOM 0 HB2 LYS A 110 -2.484 -27.307 -9.640 1.00 54.21 H new ATOM 0 HB3 LYS A 110 -3.256 -28.339 -8.452 1.00 54.21 H new ATOM 0 HG2 LYS A 110 -1.191 -28.287 -7.494 1.00 62.30 H new ATOM 0 HG3 LYS A 110 -0.888 -29.614 -8.596 1.00 62.30 H new ATOM 0 HD2 LYS A 110 -0.457 -27.101 -9.978 1.00 12.33 H new ATOM 0 HD3 LYS A 110 0.446 -27.100 -8.477 1.00 12.33 H new ATOM 0 HE2 LYS A 110 1.688 -29.030 -9.069 1.00 31.22 H new ATOM 0 HE3 LYS A 110 0.532 -29.517 -10.293 1.00 31.22 H new ATOM 0 HZ1 LYS A 110 2.521 -28.589 -11.285 1.00 72.33 H new ATOM 0 HZ2 LYS A 110 1.185 -27.600 -11.633 1.00 72.33 H new ATOM 0 HZ3 LYS A 110 2.305 -27.129 -10.447 1.00 72.33 H new