USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 738 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 13 ASN : amide:sc= -1.31! K(o=-1.3!,f=-0.13) USER MOD Set 1.2: A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 36 ASN : amide:sc= -1.15 K(o=-2.4,f=-2.9) USER MOD Set 2.2: A 41 SER OG : rot 180:sc= -0.0323 USER MOD Set 2.3: A 61 HIS : no HE2:sc= -1.19 K(o=-2.4,f=-3.9) USER MOD Set 3.1: A 24 CYS SG : rot 143:sc= 0.784 USER MOD Set 3.2: A 27 CYS SG : rot 120:sc= 1.42! USER MOD Set 3.3: A 44 CYS SG : rot -49:sc= -7.34! USER MOD Set 3.4: A 57 HIS : no HE2:sc= -8.42! C(o=-14!,f=-11!) USER MOD Single : A 1 VAL N :NH3+ 169:sc= -0.105 (180deg=-0.368) USER MOD Single : A 2 SER OG : rot 170:sc= -0.061 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -0.0278 X(o=-0.028,f=0) USER MOD Single : A 7 ASN : amide:sc= -0.137 X(o=-0.14,f=-0.0093) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -3.44! C(o=-3.4!,f=-5.8!) USER MOD Single : A 23 LYS NZ :NH3+ -141:sc= -0.128 (180deg=-0.775) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 170:sc= 0.642 USER MOD Single : A 55 ASN : amide:sc= -1.4! K(o=-1.4!,f=-0.042) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -122:sc= 1.18 (180deg=0.0492) USER MOD Single : A 75 THR OG1 : rot -162:sc= 1.27 USER MOD Single : A 77 THR OG1 : rot -140:sc= -0.823 USER MOD Single : A 84 TYR OH : rot -111:sc= 1.05 USER MOD Single : A 85 SER OG : rot -71:sc= -0.597! USER MOD Single : A 87 GLN : amide:sc= -2.05! K(o=-2.1!,f=-0.59) USER MOD Single : A 96 HIS : no HE2:sc= -2.52! C(o=-2.5!,f=-4.6!) USER MOD Single : A 99 LYS NZ :NH3+ 164:sc= -0.0492 (180deg=-0.352) USER MOD Single : A 100 HIS : no HE2:sc= -4.34! C(o=-4.3!,f=-6!) USER MOD Single : A 103 HIS : no HD1:sc= -0.0301 X(o=-0.03,f=-0.023) USER MOD Single : A 108 MET CE :methyl -159:sc= -0.135 (180deg=-0.856) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -6.020 -8.629 -12.194 1.00 0.75 N ATOM 2 CA VAL A 1 -6.410 -8.839 -10.779 1.00 0.65 C ATOM 3 C VAL A 1 -5.585 -9.982 -10.184 1.00 0.73 C ATOM 4 O VAL A 1 -5.449 -11.040 -10.794 1.00 0.89 O ATOM 5 CB VAL A 1 -7.924 -9.154 -10.648 1.00 0.76 C ATOM 6 CG1 VAL A 1 -8.298 -10.320 -11.534 1.00 1.17 C ATOM 7 CG2 VAL A 1 -8.316 -9.447 -9.201 1.00 1.17 C ATOM 0 H1 VAL A 1 -6.700 -7.988 -12.650 1.00 0.75 H new ATOM 0 H2 VAL A 1 -5.069 -8.210 -12.233 1.00 0.75 H new ATOM 0 H3 VAL A 1 -6.017 -9.542 -12.692 1.00 0.75 H new ATOM 0 HA VAL A 1 -6.212 -7.918 -10.231 1.00 0.65 H new ATOM 0 HB VAL A 1 -8.473 -8.269 -10.970 1.00 0.76 H new ATOM 0 HG11 VAL A 1 -9.363 -10.528 -11.431 1.00 1.17 H new ATOM 0 HG12 VAL A 1 -8.075 -10.074 -12.572 1.00 1.17 H new ATOM 0 HG13 VAL A 1 -7.726 -11.200 -11.239 1.00 1.17 H new ATOM 0 HG21 VAL A 1 -9.383 -9.663 -9.150 1.00 1.17 H new ATOM 0 HG22 VAL A 1 -7.754 -10.308 -8.839 1.00 1.17 H new ATOM 0 HG23 VAL A 1 -8.091 -8.580 -8.580 1.00 1.17 H new ATOM 17 N SER A 2 -5.006 -9.761 -9.014 1.00 0.77 N ATOM 18 CA SER A 2 -4.215 -10.791 -8.362 1.00 1.05 C ATOM 19 C SER A 2 -5.113 -11.745 -7.582 1.00 0.74 C ATOM 20 O SER A 2 -6.000 -11.319 -6.840 1.00 0.74 O ATOM 21 CB SER A 2 -3.191 -10.136 -7.437 1.00 1.59 C ATOM 22 OG SER A 2 -3.748 -9.000 -6.794 1.00 2.17 O ATOM 0 H SER A 2 -5.069 -8.883 -8.499 1.00 0.77 H new ATOM 0 HA SER A 2 -3.690 -11.372 -9.120 1.00 1.05 H new ATOM 0 HB2 SER A 2 -2.857 -10.855 -6.689 1.00 1.59 H new ATOM 0 HB3 SER A 2 -2.312 -9.841 -8.011 1.00 1.59 H new ATOM 0 HG SER A 2 -3.139 -8.691 -6.091 1.00 2.17 H new ATOM 28 N LYS A 3 -4.884 -13.040 -7.765 1.00 1.00 N ATOM 29 CA LYS A 3 -5.651 -14.055 -7.055 1.00 1.20 C ATOM 30 C LYS A 3 -5.312 -14.017 -5.570 1.00 1.01 C ATOM 31 O LYS A 3 -6.152 -14.298 -4.718 1.00 1.21 O ATOM 32 CB LYS A 3 -5.367 -15.451 -7.619 1.00 1.77 C ATOM 33 CG LYS A 3 -6.215 -16.541 -6.987 1.00 2.09 C ATOM 34 CD LYS A 3 -5.728 -17.928 -7.365 1.00 2.48 C ATOM 35 CE LYS A 3 -6.603 -19.004 -6.748 1.00 2.97 C ATOM 36 NZ LYS A 3 -6.029 -20.362 -6.931 1.00 3.76 N ATOM 0 H LYS A 3 -4.175 -13.411 -8.398 1.00 1.00 H new ATOM 0 HA LYS A 3 -6.711 -13.840 -7.190 1.00 1.20 H new ATOM 0 HB2 LYS A 3 -5.542 -15.443 -8.695 1.00 1.77 H new ATOM 0 HB3 LYS A 3 -4.314 -15.688 -7.469 1.00 1.77 H new ATOM 0 HG2 LYS A 3 -6.196 -16.433 -5.903 1.00 2.09 H new ATOM 0 HG3 LYS A 3 -7.252 -16.422 -7.301 1.00 2.09 H new ATOM 0 HD2 LYS A 3 -5.728 -18.033 -8.450 1.00 2.48 H new ATOM 0 HD3 LYS A 3 -4.698 -18.058 -7.032 1.00 2.48 H new ATOM 0 HE2 LYS A 3 -6.728 -18.804 -5.684 1.00 2.97 H new ATOM 0 HE3 LYS A 3 -7.595 -18.966 -7.198 1.00 2.97 H new ATOM 0 HZ1 LYS A 3 -6.658 -21.066 -6.495 1.00 3.76 H new ATOM 0 HZ2 LYS A 3 -5.934 -20.565 -7.947 1.00 3.76 H new ATOM 0 HZ3 LYS A 3 -5.093 -20.407 -6.480 1.00 3.76 H new ATOM 50 N TYR A 4 -4.077 -13.630 -5.271 1.00 0.82 N ATOM 51 CA TYR A 4 -3.595 -13.579 -3.898 1.00 0.74 C ATOM 52 C TYR A 4 -4.246 -12.431 -3.131 1.00 0.71 C ATOM 53 O TYR A 4 -4.165 -12.365 -1.907 1.00 0.85 O ATOM 54 CB TYR A 4 -2.074 -13.422 -3.884 1.00 0.79 C ATOM 55 CG TYR A 4 -1.391 -14.325 -2.887 1.00 0.97 C ATOM 56 CD1 TYR A 4 -1.244 -15.678 -3.151 1.00 1.18 C ATOM 57 CD2 TYR A 4 -0.904 -13.831 -1.684 1.00 1.63 C ATOM 58 CE1 TYR A 4 -0.627 -16.517 -2.248 1.00 1.59 C ATOM 59 CE2 TYR A 4 -0.285 -14.665 -0.773 1.00 2.20 C ATOM 60 CZ TYR A 4 -0.151 -16.008 -1.060 1.00 2.07 C ATOM 61 OH TYR A 4 0.460 -16.845 -0.157 1.00 2.69 O ATOM 0 H TYR A 4 -3.388 -13.345 -5.967 1.00 0.82 H new ATOM 0 HA TYR A 4 -3.865 -14.513 -3.406 1.00 0.74 H new ATOM 0 HB2 TYR A 4 -1.685 -13.632 -4.880 1.00 0.79 H new ATOM 0 HB3 TYR A 4 -1.825 -12.386 -3.656 1.00 0.79 H new ATOM 0 HD1 TYR A 4 -1.619 -16.081 -4.080 1.00 1.18 H new ATOM 0 HD2 TYR A 4 -1.011 -12.780 -1.457 1.00 1.63 H new ATOM 0 HE1 TYR A 4 -0.517 -17.568 -2.471 1.00 1.59 H new ATOM 0 HE2 TYR A 4 0.092 -14.268 0.158 1.00 2.20 H new ATOM 0 HH TYR A 4 0.740 -16.330 0.629 1.00 2.69 H new ATOM 71 N ALA A 5 -4.901 -11.535 -3.862 1.00 0.72 N ATOM 72 CA ALA A 5 -5.579 -10.401 -3.254 1.00 0.78 C ATOM 73 C ALA A 5 -6.977 -10.785 -2.800 1.00 0.84 C ATOM 74 O ALA A 5 -7.615 -10.065 -2.037 1.00 1.03 O ATOM 75 CB ALA A 5 -5.638 -9.233 -4.212 1.00 1.02 C ATOM 0 H ALA A 5 -4.975 -11.575 -4.879 1.00 0.72 H new ATOM 0 HA ALA A 5 -5.005 -10.099 -2.378 1.00 0.78 H new ATOM 0 HB1 ALA A 5 -6.149 -8.397 -3.735 1.00 1.02 H new ATOM 0 HB2 ALA A 5 -4.626 -8.933 -4.482 1.00 1.02 H new ATOM 0 HB3 ALA A 5 -6.182 -9.526 -5.110 1.00 1.02 H new ATOM 81 N ASN A 6 -7.455 -11.933 -3.266 1.00 0.88 N ATOM 82 CA ASN A 6 -8.779 -12.404 -2.887 1.00 1.15 C ATOM 83 C ASN A 6 -8.747 -12.997 -1.485 1.00 1.35 C ATOM 84 O ASN A 6 -9.664 -12.789 -0.692 1.00 1.76 O ATOM 85 CB ASN A 6 -9.301 -13.441 -3.887 1.00 1.22 C ATOM 86 CG ASN A 6 -10.665 -13.986 -3.498 1.00 1.60 C ATOM 87 OD1 ASN A 6 -11.698 -13.395 -3.822 1.00 2.19 O ATOM 88 ND2 ASN A 6 -10.682 -15.127 -2.826 1.00 2.25 N ATOM 0 H ASN A 6 -6.949 -12.550 -3.902 1.00 0.88 H new ATOM 0 HA ASN A 6 -9.457 -11.551 -2.896 1.00 1.15 H new ATOM 0 HB2 ASN A 6 -9.362 -12.988 -4.877 1.00 1.22 H new ATOM 0 HB3 ASN A 6 -8.590 -14.264 -3.957 1.00 1.22 H new ATOM 0 HD21 ASN A 6 -11.572 -15.548 -2.558 1.00 2.25 H new ATOM 0 HD22 ASN A 6 -9.805 -15.585 -2.577 1.00 2.25 H new ATOM 95 N ASN A 7 -7.682 -13.723 -1.178 1.00 1.33 N ATOM 96 CA ASN A 7 -7.571 -14.401 0.107 1.00 1.82 C ATOM 97 C ASN A 7 -6.506 -13.740 0.976 1.00 1.74 C ATOM 98 O ASN A 7 -5.453 -14.316 1.250 1.00 2.40 O ATOM 99 CB ASN A 7 -7.254 -15.885 -0.104 1.00 2.31 C ATOM 100 CG ASN A 7 -7.357 -16.707 1.171 1.00 2.79 C ATOM 101 OD1 ASN A 7 -8.435 -17.174 1.536 1.00 3.33 O ATOM 102 ND2 ASN A 7 -6.235 -16.907 1.847 1.00 3.26 N ATOM 0 H ASN A 7 -6.884 -13.858 -1.799 1.00 1.33 H new ATOM 0 HA ASN A 7 -8.526 -14.320 0.625 1.00 1.82 H new ATOM 0 HB2 ASN A 7 -7.938 -16.294 -0.848 1.00 2.31 H new ATOM 0 HB3 ASN A 7 -6.247 -15.981 -0.510 1.00 2.31 H new ATOM 0 HD21 ASN A 7 -6.247 -17.464 2.701 1.00 3.26 H new ATOM 0 HD22 ASN A 7 -5.360 -16.504 1.513 1.00 3.26 H new ATOM 109 N LEU A 8 -6.772 -12.512 1.390 1.00 1.18 N ATOM 110 CA LEU A 8 -5.897 -11.816 2.311 1.00 1.17 C ATOM 111 C LEU A 8 -6.679 -11.327 3.521 1.00 0.94 C ATOM 112 O LEU A 8 -7.912 -11.344 3.524 1.00 1.12 O ATOM 113 CB LEU A 8 -5.177 -10.651 1.620 1.00 1.36 C ATOM 114 CG LEU A 8 -6.025 -9.758 0.708 1.00 1.46 C ATOM 115 CD1 LEU A 8 -7.026 -8.927 1.501 1.00 1.38 C ATOM 116 CD2 LEU A 8 -5.125 -8.845 -0.105 1.00 2.10 C ATOM 0 H LEU A 8 -7.591 -11.977 1.100 1.00 1.18 H new ATOM 0 HA LEU A 8 -5.137 -12.519 2.652 1.00 1.17 H new ATOM 0 HB2 LEU A 8 -4.730 -10.023 2.391 1.00 1.36 H new ATOM 0 HB3 LEU A 8 -4.358 -11.061 1.028 1.00 1.36 H new ATOM 0 HG LEU A 8 -6.589 -10.408 0.039 1.00 1.46 H new ATOM 0 HD11 LEU A 8 -7.607 -8.308 0.818 1.00 1.38 H new ATOM 0 HD12 LEU A 8 -7.696 -9.590 2.049 1.00 1.38 H new ATOM 0 HD13 LEU A 8 -6.492 -8.288 2.204 1.00 1.38 H new ATOM 0 HD21 LEU A 8 -5.735 -8.213 -0.751 1.00 2.10 H new ATOM 0 HD22 LEU A 8 -4.540 -8.218 0.568 1.00 2.10 H new ATOM 0 HD23 LEU A 8 -4.453 -9.447 -0.717 1.00 2.10 H new ATOM 128 N THR A 9 -5.964 -10.912 4.547 1.00 0.92 N ATOM 129 CA THR A 9 -6.587 -10.405 5.754 1.00 0.82 C ATOM 130 C THR A 9 -6.119 -8.981 6.034 1.00 0.67 C ATOM 131 O THR A 9 -4.953 -8.653 5.812 1.00 0.76 O ATOM 132 CB THR A 9 -6.258 -11.307 6.958 1.00 1.14 C ATOM 133 OG1 THR A 9 -6.406 -12.683 6.579 1.00 1.34 O ATOM 134 CG2 THR A 9 -7.179 -10.999 8.128 1.00 1.25 C ATOM 0 H THR A 9 -4.944 -10.916 4.569 1.00 0.92 H new ATOM 0 HA THR A 9 -7.666 -10.403 5.603 1.00 0.82 H new ATOM 0 HB THR A 9 -5.230 -11.117 7.266 1.00 1.14 H new ATOM 0 HG1 THR A 9 -6.195 -13.258 7.344 1.00 1.34 H new ATOM 0 HG21 THR A 9 -6.930 -11.647 8.968 1.00 1.25 H new ATOM 0 HG22 THR A 9 -7.055 -9.957 8.424 1.00 1.25 H new ATOM 0 HG23 THR A 9 -8.214 -11.171 7.832 1.00 1.25 H new ATOM 142 N GLN A 10 -7.029 -8.136 6.495 1.00 0.63 N ATOM 143 CA GLN A 10 -6.676 -6.783 6.884 1.00 0.63 C ATOM 144 C GLN A 10 -6.505 -6.717 8.395 1.00 0.66 C ATOM 145 O GLN A 10 -7.373 -7.155 9.151 1.00 0.85 O ATOM 146 CB GLN A 10 -7.725 -5.793 6.390 1.00 0.78 C ATOM 147 CG GLN A 10 -7.853 -5.789 4.879 1.00 0.90 C ATOM 148 CD GLN A 10 -8.763 -4.698 4.360 1.00 1.21 C ATOM 149 OE1 GLN A 10 -8.885 -3.636 4.965 1.00 1.49 O ATOM 150 NE2 GLN A 10 -9.405 -4.954 3.233 1.00 1.91 N ATOM 0 H GLN A 10 -8.016 -8.365 6.608 1.00 0.63 H new ATOM 0 HA GLN A 10 -5.729 -6.506 6.421 1.00 0.63 H new ATOM 0 HB2 GLN A 10 -8.690 -6.040 6.833 1.00 0.78 H new ATOM 0 HB3 GLN A 10 -7.464 -4.791 6.732 1.00 0.78 H new ATOM 0 HG2 GLN A 10 -6.864 -5.668 4.438 1.00 0.90 H new ATOM 0 HG3 GLN A 10 -8.233 -6.756 4.551 1.00 0.90 H new ATOM 0 HE21 GLN A 10 -9.274 -5.850 2.764 1.00 1.91 H new ATOM 0 HE22 GLN A 10 -10.031 -4.255 2.833 1.00 1.91 H new ATOM 159 N LEU A 11 -5.387 -6.162 8.817 1.00 0.56 N ATOM 160 CA LEU A 11 -4.935 -6.266 10.191 1.00 0.56 C ATOM 161 C LEU A 11 -4.680 -4.893 10.803 1.00 0.57 C ATOM 162 O LEU A 11 -4.195 -3.983 10.136 1.00 0.73 O ATOM 163 CB LEU A 11 -3.650 -7.107 10.208 1.00 0.62 C ATOM 164 CG LEU A 11 -2.848 -7.102 11.512 1.00 0.53 C ATOM 165 CD1 LEU A 11 -3.685 -7.645 12.660 1.00 0.91 C ATOM 166 CD2 LEU A 11 -1.572 -7.916 11.351 1.00 0.88 C ATOM 0 H LEU A 11 -4.764 -5.624 8.215 1.00 0.56 H new ATOM 0 HA LEU A 11 -5.711 -6.742 10.791 1.00 0.56 H new ATOM 0 HB2 LEU A 11 -3.914 -8.138 9.974 1.00 0.62 H new ATOM 0 HB3 LEU A 11 -3.001 -6.754 9.407 1.00 0.62 H new ATOM 0 HG LEU A 11 -2.577 -6.072 11.745 1.00 0.53 H new ATOM 0 HD11 LEU A 11 -3.096 -7.633 13.577 1.00 0.91 H new ATOM 0 HD12 LEU A 11 -4.571 -7.024 12.790 1.00 0.91 H new ATOM 0 HD13 LEU A 11 -3.988 -8.668 12.437 1.00 0.91 H new ATOM 0 HD21 LEU A 11 -1.012 -7.903 12.286 1.00 0.88 H new ATOM 0 HD22 LEU A 11 -1.826 -8.944 11.094 1.00 0.88 H new ATOM 0 HD23 LEU A 11 -0.963 -7.484 10.557 1.00 0.88 H new ATOM 178 N ASP A 12 -5.041 -4.743 12.066 1.00 0.63 N ATOM 179 CA ASP A 12 -4.657 -3.569 12.832 1.00 0.83 C ATOM 180 C ASP A 12 -3.513 -3.931 13.769 1.00 0.94 C ATOM 181 O ASP A 12 -3.734 -4.465 14.855 1.00 1.05 O ATOM 182 CB ASP A 12 -5.833 -3.021 13.649 1.00 1.10 C ATOM 183 CG ASP A 12 -6.956 -2.470 12.792 1.00 1.44 C ATOM 184 OD1 ASP A 12 -6.868 -1.297 12.362 1.00 2.02 O ATOM 185 OD2 ASP A 12 -7.944 -3.195 12.561 1.00 1.94 O ATOM 0 H ASP A 12 -5.601 -5.421 12.584 1.00 0.63 H new ATOM 0 HA ASP A 12 -4.342 -2.794 12.133 1.00 0.83 H new ATOM 0 HB2 ASP A 12 -6.226 -3.815 14.284 1.00 1.10 H new ATOM 0 HB3 ASP A 12 -5.471 -2.234 14.311 1.00 1.10 H new ATOM 190 N ASN A 13 -2.291 -3.648 13.346 1.00 1.02 N ATOM 191 CA ASN A 13 -1.119 -3.928 14.171 1.00 1.28 C ATOM 192 C ASN A 13 -0.710 -2.664 14.921 1.00 1.44 C ATOM 193 O ASN A 13 0.440 -2.228 14.863 1.00 1.62 O ATOM 194 CB ASN A 13 0.045 -4.437 13.307 1.00 1.46 C ATOM 195 CG ASN A 13 1.170 -5.046 14.131 1.00 1.77 C ATOM 196 OD1 ASN A 13 2.348 -4.918 13.791 1.00 1.90 O ATOM 197 ND2 ASN A 13 0.817 -5.746 15.202 1.00 2.47 N ATOM 0 H ASN A 13 -2.082 -3.227 12.441 1.00 1.02 H new ATOM 0 HA ASN A 13 -1.371 -4.707 14.890 1.00 1.28 H new ATOM 0 HB2 ASN A 13 -0.329 -5.182 12.605 1.00 1.46 H new ATOM 0 HB3 ASN A 13 0.440 -3.611 12.715 1.00 1.46 H new ATOM 0 HD21 ASN A 13 1.530 -6.199 15.773 1.00 2.47 H new ATOM 0 HD22 ASN A 13 -0.168 -5.831 15.454 1.00 2.47 H new ATOM 204 N GLY A 14 -1.668 -2.072 15.621 1.00 1.54 N ATOM 205 CA GLY A 14 -1.434 -0.791 16.259 1.00 1.82 C ATOM 206 C GLY A 14 -1.328 0.315 15.230 1.00 1.62 C ATOM 207 O GLY A 14 -0.701 1.347 15.464 1.00 1.79 O ATOM 0 H GLY A 14 -2.603 -2.456 15.759 1.00 1.54 H new ATOM 0 HA2 GLY A 14 -2.246 -0.572 16.952 1.00 1.82 H new ATOM 0 HA3 GLY A 14 -0.517 -0.835 16.847 1.00 1.82 H new ATOM 211 N VAL A 15 -1.946 0.075 14.079 1.00 1.30 N ATOM 212 CA VAL A 15 -1.885 0.989 12.954 1.00 1.12 C ATOM 213 C VAL A 15 -2.801 2.187 13.153 1.00 1.26 C ATOM 214 O VAL A 15 -4.015 2.052 13.343 1.00 1.39 O ATOM 215 CB VAL A 15 -2.249 0.260 11.640 1.00 0.92 C ATOM 216 CG1 VAL A 15 -3.587 -0.447 11.760 1.00 0.98 C ATOM 217 CG2 VAL A 15 -2.250 1.215 10.455 1.00 0.93 C ATOM 0 H VAL A 15 -2.503 -0.761 13.904 1.00 1.30 H new ATOM 0 HA VAL A 15 -0.860 1.355 12.888 1.00 1.12 H new ATOM 0 HB VAL A 15 -1.481 -0.492 11.461 1.00 0.92 H new ATOM 0 HG11 VAL A 15 -3.818 -0.951 10.821 1.00 0.98 H new ATOM 0 HG12 VAL A 15 -3.540 -1.181 12.564 1.00 0.98 H new ATOM 0 HG13 VAL A 15 -4.366 0.283 11.981 1.00 0.98 H new ATOM 0 HG21 VAL A 15 -2.510 0.669 9.548 1.00 0.93 H new ATOM 0 HG22 VAL A 15 -2.981 2.005 10.625 1.00 0.93 H new ATOM 0 HG23 VAL A 15 -1.259 1.656 10.342 1.00 0.93 H new ATOM 227 N ARG A 16 -2.204 3.360 13.136 1.00 1.34 N ATOM 228 CA ARG A 16 -2.953 4.592 13.175 1.00 1.54 C ATOM 229 C ARG A 16 -2.492 5.478 12.036 1.00 1.39 C ATOM 230 O ARG A 16 -1.484 6.178 12.142 1.00 1.49 O ATOM 231 CB ARG A 16 -2.768 5.300 14.516 1.00 1.95 C ATOM 232 CG ARG A 16 -3.944 6.184 14.913 1.00 2.24 C ATOM 233 CD ARG A 16 -4.077 7.425 14.037 1.00 2.54 C ATOM 234 NE ARG A 16 -5.206 8.254 14.459 1.00 3.18 N ATOM 235 CZ ARG A 16 -6.254 8.554 13.687 1.00 3.77 C ATOM 236 NH1 ARG A 16 -6.273 8.204 12.406 1.00 3.91 N ATOM 237 NH2 ARG A 16 -7.267 9.239 14.192 1.00 4.59 N ATOM 0 H ARG A 16 -1.192 3.483 13.095 1.00 1.34 H new ATOM 0 HA ARG A 16 -4.015 4.374 13.064 1.00 1.54 H new ATOM 0 HB2 ARG A 16 -2.610 4.552 15.292 1.00 1.95 H new ATOM 0 HB3 ARG A 16 -1.866 5.910 14.473 1.00 1.95 H new ATOM 0 HG2 ARG A 16 -4.865 5.603 14.854 1.00 2.24 H new ATOM 0 HG3 ARG A 16 -3.827 6.490 15.953 1.00 2.24 H new ATOM 0 HD2 ARG A 16 -3.157 8.008 14.086 1.00 2.54 H new ATOM 0 HD3 ARG A 16 -4.211 7.126 12.997 1.00 2.54 H new ATOM 0 HE ARG A 16 -5.192 8.629 15.408 1.00 3.18 H new ATOM 0 HH11 ARG A 16 -5.482 7.701 12.003 1.00 3.91 H new ATOM 0 HH12 ARG A 16 -7.078 8.438 11.825 1.00 3.91 H new ATOM 0 HH21 ARG A 16 -7.246 9.536 15.168 1.00 4.59 H new ATOM 0 HH22 ARG A 16 -8.069 9.470 13.606 1.00 4.59 H new ATOM 251 N ILE A 17 -3.224 5.427 10.944 1.00 1.28 N ATOM 252 CA ILE A 17 -2.892 6.211 9.771 1.00 1.19 C ATOM 253 C ILE A 17 -3.194 7.680 10.046 1.00 1.73 C ATOM 254 O ILE A 17 -4.275 8.018 10.526 1.00 2.16 O ATOM 255 CB ILE A 17 -3.680 5.727 8.532 1.00 1.21 C ATOM 256 CG1 ILE A 17 -3.553 4.206 8.371 1.00 1.00 C ATOM 257 CG2 ILE A 17 -3.159 6.417 7.284 1.00 1.15 C ATOM 258 CD1 ILE A 17 -2.185 3.756 7.909 1.00 0.64 C ATOM 0 H ILE A 17 -4.058 4.848 10.843 1.00 1.28 H new ATOM 0 HA ILE A 17 -1.830 6.087 9.558 1.00 1.19 H new ATOM 0 HB ILE A 17 -4.731 5.978 8.673 1.00 1.21 H new ATOM 0 HG12 ILE A 17 -3.780 3.728 9.324 1.00 1.00 H new ATOM 0 HG13 ILE A 17 -4.300 3.862 7.656 1.00 1.00 H new ATOM 0 HG21 ILE A 17 -3.719 6.070 6.416 1.00 1.15 H new ATOM 0 HG22 ILE A 17 -3.280 7.495 7.387 1.00 1.15 H new ATOM 0 HG23 ILE A 17 -2.103 6.181 7.152 1.00 1.15 H new ATOM 0 HD11 ILE A 17 -2.171 2.670 7.818 1.00 0.64 H new ATOM 0 HD12 ILE A 17 -1.962 4.204 6.941 1.00 0.64 H new ATOM 0 HD13 ILE A 17 -1.435 4.069 8.635 1.00 0.64 H new ATOM 316 N TRP A 22 -0.726 9.372 4.174 1.00 0.80 N ATOM 317 CA TRP A 22 0.378 8.512 3.769 1.00 0.60 C ATOM 318 C TRP A 22 1.746 9.070 4.163 1.00 0.47 C ATOM 319 O TRP A 22 1.930 10.284 4.257 1.00 0.57 O ATOM 320 CB TRP A 22 0.323 8.290 2.258 1.00 0.60 C ATOM 321 CG TRP A 22 0.125 9.545 1.450 1.00 0.94 C ATOM 322 CD1 TRP A 22 1.013 10.569 1.282 1.00 1.96 C ATOM 323 CD2 TRP A 22 -1.039 9.900 0.692 1.00 1.26 C ATOM 324 NE1 TRP A 22 0.471 11.537 0.473 1.00 2.25 N ATOM 325 CE2 TRP A 22 -0.786 11.148 0.097 1.00 1.73 C ATOM 326 CE3 TRP A 22 -2.271 9.281 0.459 1.00 2.10 C ATOM 327 CZ2 TRP A 22 -1.717 11.790 -0.715 1.00 2.22 C ATOM 328 CZ3 TRP A 22 -3.194 9.921 -0.348 1.00 2.82 C ATOM 329 CH2 TRP A 22 -2.911 11.162 -0.926 1.00 2.65 C ATOM 0 HA TRP A 22 0.260 7.566 4.298 1.00 0.60 H new ATOM 0 HB2 TRP A 22 1.249 7.810 1.940 1.00 0.60 H new ATOM 0 HB3 TRP A 22 -0.488 7.597 2.034 1.00 0.60 H new ATOM 0 HD1 TRP A 22 1.999 10.611 1.722 1.00 1.96 H new ATOM 0 HE1 TRP A 22 0.931 12.405 0.197 1.00 2.25 H new ATOM 0 HE3 TRP A 22 -2.497 8.322 0.901 1.00 2.10 H new ATOM 0 HZ2 TRP A 22 -1.503 12.750 -1.162 1.00 2.22 H new ATOM 0 HZ3 TRP A 22 -4.150 9.454 -0.535 1.00 2.82 H new ATOM 0 HH2 TRP A 22 -3.653 11.634 -1.553 1.00 2.65 H new ATOM 340 N LYS A 23 2.675 8.147 4.430 1.00 0.41 N ATOM 341 CA LYS A 23 4.097 8.444 4.603 1.00 0.39 C ATOM 342 C LYS A 23 4.846 7.169 4.975 1.00 0.37 C ATOM 343 O LYS A 23 4.390 6.399 5.821 1.00 0.39 O ATOM 344 CB LYS A 23 4.334 9.507 5.671 1.00 0.51 C ATOM 345 CG LYS A 23 5.801 9.884 5.821 1.00 0.59 C ATOM 346 CD LYS A 23 5.992 11.213 6.535 1.00 0.70 C ATOM 347 CE LYS A 23 5.454 12.369 5.706 1.00 0.67 C ATOM 348 NZ LYS A 23 4.133 12.848 6.192 1.00 1.23 N ATOM 0 H LYS A 23 2.455 7.156 4.533 1.00 0.41 H new ATOM 0 HA LYS A 23 4.470 8.836 3.657 1.00 0.39 H new ATOM 0 HB2 LYS A 23 3.759 10.399 5.422 1.00 0.51 H new ATOM 0 HB3 LYS A 23 3.959 9.143 6.627 1.00 0.51 H new ATOM 0 HG2 LYS A 23 6.319 9.101 6.374 1.00 0.59 H new ATOM 0 HG3 LYS A 23 6.262 9.936 4.835 1.00 0.59 H new ATOM 0 HD2 LYS A 23 5.484 11.187 7.499 1.00 0.70 H new ATOM 0 HD3 LYS A 23 7.051 11.370 6.738 1.00 0.70 H new ATOM 0 HE2 LYS A 23 6.167 13.193 5.730 1.00 0.67 H new ATOM 0 HE3 LYS A 23 5.364 12.056 4.666 1.00 0.67 H new ATOM 0 HZ1 LYS A 23 3.529 13.085 5.379 1.00 1.23 H new ATOM 0 HZ2 LYS A 23 3.679 12.101 6.755 1.00 1.23 H new ATOM 0 HZ3 LYS A 23 4.266 13.694 6.782 1.00 1.23 H new ATOM 362 N CYS A 24 5.983 6.953 4.324 1.00 0.37 N ATOM 363 CA CYS A 24 6.815 5.782 4.567 1.00 0.40 C ATOM 364 C CYS A 24 7.332 5.770 6.005 1.00 0.48 C ATOM 365 O CYS A 24 7.755 6.794 6.545 1.00 0.57 O ATOM 366 CB CYS A 24 7.973 5.741 3.552 1.00 0.46 C ATOM 367 SG CYS A 24 9.472 4.932 4.154 1.00 0.80 S ATOM 0 H CYS A 24 6.353 7.584 3.614 1.00 0.37 H new ATOM 0 HA CYS A 24 6.210 4.885 4.433 1.00 0.40 H new ATOM 0 HB2 CYS A 24 7.633 5.225 2.654 1.00 0.46 H new ATOM 0 HB3 CYS A 24 8.219 6.762 3.260 1.00 0.46 H new ATOM 0 HG CYS A 24 10.017 4.254 3.188 1.00 0.80 H new ATOM 372 N ALA A 25 7.261 4.593 6.615 1.00 0.50 N ATOM 373 CA ALA A 25 7.632 4.399 8.010 1.00 0.62 C ATOM 374 C ALA A 25 9.124 4.625 8.262 1.00 0.70 C ATOM 375 O ALA A 25 9.522 4.978 9.372 1.00 0.90 O ATOM 376 CB ALA A 25 7.223 3.011 8.450 1.00 0.72 C ATOM 0 H ALA A 25 6.942 3.742 6.152 1.00 0.50 H new ATOM 0 HA ALA A 25 7.103 5.147 8.600 1.00 0.62 H new ATOM 0 HB1 ALA A 25 7.500 2.864 9.494 1.00 0.72 H new ATOM 0 HB2 ALA A 25 6.144 2.898 8.341 1.00 0.72 H new ATOM 0 HB3 ALA A 25 7.730 2.269 7.832 1.00 0.72 H new ATOM 382 N ARG A 26 9.951 4.404 7.245 1.00 0.72 N ATOM 383 CA ARG A 26 11.390 4.628 7.368 1.00 0.88 C ATOM 384 C ARG A 26 11.746 6.066 6.995 1.00 0.84 C ATOM 385 O ARG A 26 11.816 6.942 7.852 1.00 0.94 O ATOM 386 CB ARG A 26 12.171 3.655 6.484 1.00 1.00 C ATOM 387 CG ARG A 26 12.598 2.372 7.181 1.00 1.18 C ATOM 388 CD ARG A 26 11.436 1.645 7.836 1.00 1.06 C ATOM 389 NE ARG A 26 11.767 0.256 8.152 1.00 1.71 N ATOM 390 CZ ARG A 26 11.102 -0.490 9.035 1.00 1.86 C ATOM 391 NH1 ARG A 26 10.120 0.031 9.756 1.00 1.80 N ATOM 392 NH2 ARG A 26 11.447 -1.752 9.233 1.00 2.59 N ATOM 0 H ARG A 26 9.652 4.071 6.328 1.00 0.72 H new ATOM 0 HA ARG A 26 11.666 4.454 8.408 1.00 0.88 H new ATOM 0 HB2 ARG A 26 11.558 3.397 5.620 1.00 1.00 H new ATOM 0 HB3 ARG A 26 13.059 4.161 6.106 1.00 1.00 H new ATOM 0 HG2 ARG A 26 13.073 1.711 6.456 1.00 1.18 H new ATOM 0 HG3 ARG A 26 13.347 2.606 7.937 1.00 1.18 H new ATOM 0 HD2 ARG A 26 11.151 2.167 8.750 1.00 1.06 H new ATOM 0 HD3 ARG A 26 10.572 1.670 7.172 1.00 1.06 H new ATOM 0 HE ARG A 26 12.557 -0.169 7.666 1.00 1.71 H new ATOM 0 HH11 ARG A 26 9.866 1.012 9.639 1.00 1.80 H new ATOM 0 HH12 ARG A 26 9.618 -0.549 10.428 1.00 1.80 H new ATOM 0 HH21 ARG A 26 12.223 -2.157 8.710 1.00 2.59 H new ATOM 0 HH22 ARG A 26 10.937 -2.320 9.909 1.00 2.59 H new ATOM 406 N CYS A 27 11.985 6.291 5.705 1.00 0.75 N ATOM 407 CA CYS A 27 12.217 7.630 5.179 1.00 0.75 C ATOM 408 C CYS A 27 10.941 8.461 5.199 1.00 0.75 C ATOM 409 O CYS A 27 9.841 7.921 5.128 1.00 0.85 O ATOM 410 CB CYS A 27 12.724 7.527 3.751 1.00 0.75 C ATOM 411 SG CYS A 27 13.030 5.827 3.223 1.00 0.76 S ATOM 0 H CYS A 27 12.023 5.554 5.001 1.00 0.75 H new ATOM 0 HA CYS A 27 12.957 8.122 5.810 1.00 0.75 H new ATOM 0 HB2 CYS A 27 11.996 7.983 3.080 1.00 0.75 H new ATOM 0 HB3 CYS A 27 13.646 8.101 3.658 1.00 0.75 H new ATOM 0 HG CYS A 27 12.277 5.548 2.201 1.00 0.76 H new ATOM 416 N ASP A 28 11.102 9.772 5.227 1.00 0.72 N ATOM 417 CA ASP A 28 9.968 10.685 5.331 1.00 0.74 C ATOM 418 C ASP A 28 9.443 11.098 3.959 1.00 0.68 C ATOM 419 O ASP A 28 8.891 12.187 3.800 1.00 0.89 O ATOM 420 CB ASP A 28 10.349 11.929 6.143 1.00 0.86 C ATOM 421 CG ASP A 28 11.494 12.716 5.535 1.00 1.34 C ATOM 422 OD1 ASP A 28 12.627 12.187 5.481 1.00 2.00 O ATOM 423 OD2 ASP A 28 11.279 13.876 5.125 1.00 1.66 O ATOM 0 H ASP A 28 12.010 10.234 5.179 1.00 0.72 H new ATOM 0 HA ASP A 28 9.170 10.151 5.847 1.00 0.74 H new ATOM 0 HB2 ASP A 28 9.478 12.578 6.230 1.00 0.86 H new ATOM 0 HB3 ASP A 28 10.623 11.625 7.153 1.00 0.86 H new ATOM 428 N LEU A 29 9.604 10.221 2.967 1.00 0.53 N ATOM 429 CA LEU A 29 9.058 10.475 1.640 1.00 0.47 C ATOM 430 C LEU A 29 7.542 10.562 1.702 1.00 0.48 C ATOM 431 O LEU A 29 6.881 9.726 2.322 1.00 0.51 O ATOM 432 CB LEU A 29 9.499 9.402 0.643 1.00 0.46 C ATOM 433 CG LEU A 29 10.897 9.621 0.061 1.00 0.48 C ATOM 434 CD1 LEU A 29 11.290 8.476 -0.861 1.00 0.52 C ATOM 435 CD2 LEU A 29 10.939 10.940 -0.691 1.00 0.56 C ATOM 0 H LEU A 29 10.104 9.337 3.059 1.00 0.53 H new ATOM 0 HA LEU A 29 9.449 11.431 1.290 1.00 0.47 H new ATOM 0 HB2 LEU A 29 9.472 8.431 1.137 1.00 0.46 H new ATOM 0 HB3 LEU A 29 8.779 9.364 -0.175 1.00 0.46 H new ATOM 0 HG LEU A 29 11.613 9.652 0.883 1.00 0.48 H new ATOM 0 HD11 LEU A 29 12.288 8.657 -1.261 1.00 0.52 H new ATOM 0 HD12 LEU A 29 11.288 7.541 -0.301 1.00 0.52 H new ATOM 0 HD13 LEU A 29 10.577 8.409 -1.682 1.00 0.52 H new ATOM 0 HD21 LEU A 29 11.936 11.092 -1.104 1.00 0.56 H new ATOM 0 HD22 LEU A 29 10.210 10.920 -1.501 1.00 0.56 H new ATOM 0 HD23 LEU A 29 10.701 11.756 -0.008 1.00 0.56 H new ATOM 447 N ARG A 30 7.005 11.588 1.068 1.00 0.51 N ATOM 448 CA ARG A 30 5.584 11.896 1.164 1.00 0.59 C ATOM 449 C ARG A 30 4.848 11.449 -0.090 1.00 0.60 C ATOM 450 O ARG A 30 3.662 11.733 -0.261 1.00 0.71 O ATOM 451 CB ARG A 30 5.404 13.398 1.366 1.00 0.72 C ATOM 452 CG ARG A 30 6.325 13.964 2.430 1.00 0.94 C ATOM 453 CD ARG A 30 6.319 15.473 2.430 1.00 1.06 C ATOM 454 NE ARG A 30 7.420 16.014 3.222 1.00 2.05 N ATOM 455 CZ ARG A 30 8.082 17.126 2.913 1.00 2.56 C ATOM 456 NH1 ARG A 30 7.702 17.870 1.880 1.00 2.36 N ATOM 457 NH2 ARG A 30 9.116 17.496 3.653 1.00 3.67 N ATOM 0 H ARG A 30 7.534 12.229 0.476 1.00 0.51 H new ATOM 0 HA ARG A 30 5.165 11.358 2.015 1.00 0.59 H new ATOM 0 HB2 ARG A 30 5.588 13.911 0.422 1.00 0.72 H new ATOM 0 HB3 ARG A 30 4.369 13.601 1.642 1.00 0.72 H new ATOM 0 HG2 ARG A 30 6.016 13.599 3.410 1.00 0.94 H new ATOM 0 HG3 ARG A 30 7.340 13.604 2.261 1.00 0.94 H new ATOM 0 HD2 ARG A 30 6.393 15.838 1.406 1.00 1.06 H new ATOM 0 HD3 ARG A 30 5.371 15.834 2.829 1.00 1.06 H new ATOM 0 HE ARG A 30 7.698 15.509 4.063 1.00 2.05 H new ATOM 0 HH11 ARG A 30 6.898 17.590 1.318 1.00 2.36 H new ATOM 0 HH12 ARG A 30 8.214 18.721 1.649 1.00 2.36 H new ATOM 0 HH21 ARG A 30 9.399 16.930 4.453 1.00 3.67 H new ATOM 0 HH22 ARG A 30 9.629 18.347 3.423 1.00 3.67 H new ATOM 471 N GLU A 31 5.556 10.753 -0.967 1.00 0.55 N ATOM 472 CA GLU A 31 4.971 10.271 -2.209 1.00 0.65 C ATOM 473 C GLU A 31 5.613 8.958 -2.612 1.00 0.55 C ATOM 474 O GLU A 31 6.608 8.535 -2.018 1.00 0.49 O ATOM 475 CB GLU A 31 5.147 11.304 -3.324 1.00 0.81 C ATOM 476 CG GLU A 31 3.862 11.655 -4.063 1.00 1.49 C ATOM 477 CD GLU A 31 3.483 10.644 -5.128 1.00 2.12 C ATOM 478 OE1 GLU A 31 2.994 9.553 -4.764 1.00 2.82 O ATOM 479 OE2 GLU A 31 3.664 10.932 -6.328 1.00 2.41 O ATOM 0 H GLU A 31 6.538 10.509 -0.841 1.00 0.55 H new ATOM 0 HA GLU A 31 3.905 10.112 -2.049 1.00 0.65 H new ATOM 0 HB2 GLU A 31 5.567 12.215 -2.896 1.00 0.81 H new ATOM 0 HB3 GLU A 31 5.874 10.925 -4.043 1.00 0.81 H new ATOM 0 HG2 GLU A 31 3.048 11.735 -3.343 1.00 1.49 H new ATOM 0 HG3 GLU A 31 3.975 12.635 -4.527 1.00 1.49 H new ATOM 486 N ASN A 32 5.036 8.347 -3.636 1.00 0.60 N ATOM 487 CA ASN A 32 5.460 7.036 -4.130 1.00 0.61 C ATOM 488 C ASN A 32 5.553 6.046 -2.982 1.00 0.50 C ATOM 489 O ASN A 32 6.600 5.453 -2.723 1.00 0.54 O ATOM 490 CB ASN A 32 6.793 7.130 -4.876 1.00 0.69 C ATOM 491 CG ASN A 32 6.732 8.114 -6.028 1.00 1.23 C ATOM 492 OD1 ASN A 32 7.058 9.290 -5.874 1.00 1.82 O ATOM 493 ND2 ASN A 32 6.301 7.644 -7.190 1.00 2.01 N ATOM 0 H ASN A 32 4.254 8.746 -4.155 1.00 0.60 H new ATOM 0 HA ASN A 32 4.710 6.680 -4.837 1.00 0.61 H new ATOM 0 HB2 ASN A 32 7.576 7.433 -4.181 1.00 0.69 H new ATOM 0 HB3 ASN A 32 7.067 6.145 -5.255 1.00 0.69 H new ATOM 0 HD21 ASN A 32 6.230 8.264 -7.997 1.00 2.01 H new ATOM 0 HD22 ASN A 32 6.040 6.662 -7.278 1.00 2.01 H new ATOM 500 N LEU A 33 4.437 5.884 -2.296 1.00 0.41 N ATOM 501 CA LEU A 33 4.379 5.057 -1.110 1.00 0.32 C ATOM 502 C LEU A 33 3.520 3.834 -1.364 1.00 0.30 C ATOM 503 O LEU A 33 2.592 3.882 -2.167 1.00 0.34 O ATOM 504 CB LEU A 33 3.794 5.863 0.043 1.00 0.31 C ATOM 505 CG LEU A 33 4.470 7.206 0.300 1.00 0.34 C ATOM 506 CD1 LEU A 33 3.494 8.162 0.945 1.00 0.39 C ATOM 507 CD2 LEU A 33 5.683 7.038 1.193 1.00 0.32 C ATOM 0 H LEU A 33 3.550 6.321 -2.546 1.00 0.41 H new ATOM 0 HA LEU A 33 5.388 4.732 -0.855 1.00 0.32 H new ATOM 0 HB2 LEU A 33 2.737 6.038 -0.156 1.00 0.31 H new ATOM 0 HB3 LEU A 33 3.853 5.264 0.952 1.00 0.31 H new ATOM 0 HG LEU A 33 4.796 7.611 -0.658 1.00 0.34 H new ATOM 0 HD11 LEU A 33 3.986 9.118 1.125 1.00 0.39 H new ATOM 0 HD12 LEU A 33 2.640 8.312 0.284 1.00 0.39 H new ATOM 0 HD13 LEU A 33 3.151 7.747 1.893 1.00 0.39 H new ATOM 0 HD21 LEU A 33 6.148 8.009 1.362 1.00 0.32 H new ATOM 0 HD22 LEU A 33 5.376 6.612 2.148 1.00 0.32 H new ATOM 0 HD23 LEU A 33 6.399 6.372 0.712 1.00 0.32 H new ATOM 519 N TRP A 34 3.828 2.748 -0.680 1.00 0.28 N ATOM 520 CA TRP A 34 3.062 1.525 -0.801 1.00 0.28 C ATOM 521 C TRP A 34 2.393 1.201 0.529 1.00 0.27 C ATOM 522 O TRP A 34 3.060 0.873 1.512 1.00 0.31 O ATOM 523 CB TRP A 34 3.960 0.362 -1.235 1.00 0.32 C ATOM 524 CG TRP A 34 4.974 0.732 -2.278 1.00 0.57 C ATOM 525 CD1 TRP A 34 6.273 1.088 -2.062 1.00 1.79 C ATOM 526 CD2 TRP A 34 4.775 0.788 -3.696 1.00 0.53 C ATOM 527 NE1 TRP A 34 6.892 1.364 -3.255 1.00 1.85 N ATOM 528 CE2 TRP A 34 5.995 1.186 -4.274 1.00 0.73 C ATOM 529 CE3 TRP A 34 3.685 0.542 -4.535 1.00 1.77 C ATOM 530 CZ2 TRP A 34 6.156 1.339 -5.648 1.00 0.67 C ATOM 531 CZ3 TRP A 34 3.845 0.696 -5.899 1.00 2.25 C ATOM 532 CH2 TRP A 34 5.072 1.091 -6.444 1.00 1.47 C ATOM 0 H TRP A 34 4.611 2.690 -0.029 1.00 0.28 H new ATOM 0 HA TRP A 34 2.296 1.669 -1.563 1.00 0.28 H new ATOM 0 HB2 TRP A 34 4.479 -0.029 -0.360 1.00 0.32 H new ATOM 0 HB3 TRP A 34 3.334 -0.443 -1.620 1.00 0.32 H new ATOM 0 HD1 TRP A 34 6.746 1.144 -1.093 1.00 1.79 H new ATOM 0 HE1 TRP A 34 7.863 1.655 -3.365 1.00 1.85 H new ATOM 0 HE3 TRP A 34 2.734 0.237 -4.125 1.00 1.77 H new ATOM 0 HZ2 TRP A 34 7.103 1.643 -6.070 1.00 0.67 H new ATOM 0 HZ3 TRP A 34 3.009 0.508 -6.556 1.00 2.25 H new ATOM 0 HH2 TRP A 34 5.165 1.202 -7.514 1.00 1.47 H new ATOM 543 N LEU A 35 1.080 1.331 0.553 1.00 0.25 N ATOM 544 CA LEU A 35 0.289 1.047 1.738 1.00 0.26 C ATOM 545 C LEU A 35 -0.049 -0.442 1.775 1.00 0.27 C ATOM 546 O LEU A 35 -0.865 -0.910 0.981 1.00 0.29 O ATOM 547 CB LEU A 35 -0.999 1.886 1.688 1.00 0.28 C ATOM 548 CG LEU A 35 -1.722 2.158 3.018 1.00 0.32 C ATOM 549 CD1 LEU A 35 -3.040 2.860 2.741 1.00 0.36 C ATOM 550 CD2 LEU A 35 -1.962 0.887 3.817 1.00 0.32 C ATOM 0 H LEU A 35 0.530 1.637 -0.250 1.00 0.25 H new ATOM 0 HA LEU A 35 0.850 1.302 2.637 1.00 0.26 H new ATOM 0 HB2 LEU A 35 -0.757 2.847 1.234 1.00 0.28 H new ATOM 0 HB3 LEU A 35 -1.700 1.386 1.020 1.00 0.28 H new ATOM 0 HG LEU A 35 -1.078 2.796 3.623 1.00 0.32 H new ATOM 0 HD11 LEU A 35 -3.554 3.054 3.682 1.00 0.36 H new ATOM 0 HD12 LEU A 35 -2.849 3.804 2.231 1.00 0.36 H new ATOM 0 HD13 LEU A 35 -3.664 2.227 2.111 1.00 0.36 H new ATOM 0 HD21 LEU A 35 -2.475 1.133 4.747 1.00 0.32 H new ATOM 0 HD22 LEU A 35 -2.577 0.201 3.234 1.00 0.32 H new ATOM 0 HD23 LEU A 35 -1.007 0.414 4.044 1.00 0.32 H new ATOM 562 N ASN A 36 0.570 -1.176 2.697 1.00 0.28 N ATOM 563 CA ASN A 36 0.355 -2.619 2.803 1.00 0.30 C ATOM 564 C ASN A 36 -1.123 -2.944 3.013 1.00 0.30 C ATOM 565 O ASN A 36 -1.806 -2.308 3.815 1.00 0.35 O ATOM 566 CB ASN A 36 1.183 -3.199 3.960 1.00 0.37 C ATOM 567 CG ASN A 36 0.939 -4.691 4.161 1.00 0.83 C ATOM 568 OD1 ASN A 36 0.710 -5.425 3.208 1.00 1.62 O ATOM 569 ND2 ASN A 36 0.987 -5.157 5.399 1.00 1.44 N ATOM 0 H ASN A 36 1.224 -0.797 3.381 1.00 0.28 H new ATOM 0 HA ASN A 36 0.677 -3.073 1.866 1.00 0.30 H new ATOM 0 HB2 ASN A 36 2.242 -3.030 3.765 1.00 0.37 H new ATOM 0 HB3 ASN A 36 0.939 -2.667 4.880 1.00 0.37 H new ATOM 0 HD21 ASN A 36 0.831 -6.149 5.577 1.00 1.44 H new ATOM 0 HD22 ASN A 36 1.180 -4.524 6.175 1.00 1.44 H new ATOM 576 N LEU A 37 -1.597 -3.948 2.283 1.00 0.28 N ATOM 577 CA LEU A 37 -3.013 -4.315 2.269 1.00 0.31 C ATOM 578 C LEU A 37 -3.450 -4.946 3.579 1.00 0.33 C ATOM 579 O LEU A 37 -4.644 -5.051 3.859 1.00 0.40 O ATOM 580 CB LEU A 37 -3.303 -5.281 1.113 1.00 0.33 C ATOM 581 CG LEU A 37 -3.607 -4.622 -0.234 1.00 0.41 C ATOM 582 CD1 LEU A 37 -5.058 -4.184 -0.283 1.00 0.59 C ATOM 583 CD2 LEU A 37 -2.698 -3.433 -0.471 1.00 0.54 C ATOM 0 H LEU A 37 -1.013 -4.531 1.684 1.00 0.28 H new ATOM 0 HA LEU A 37 -3.582 -3.395 2.131 1.00 0.31 H new ATOM 0 HB2 LEU A 37 -2.444 -5.941 0.990 1.00 0.33 H new ATOM 0 HB3 LEU A 37 -4.150 -5.909 1.390 1.00 0.33 H new ATOM 0 HG LEU A 37 -3.427 -5.354 -1.021 1.00 0.41 H new ATOM 0 HD11 LEU A 37 -5.265 -3.716 -1.246 1.00 0.59 H new ATOM 0 HD12 LEU A 37 -5.705 -5.052 -0.155 1.00 0.59 H new ATOM 0 HD13 LEU A 37 -5.249 -3.468 0.517 1.00 0.59 H new ATOM 0 HD21 LEU A 37 -2.933 -2.981 -1.435 1.00 0.54 H new ATOM 0 HD22 LEU A 37 -2.847 -2.698 0.320 1.00 0.54 H new ATOM 0 HD23 LEU A 37 -1.659 -3.763 -0.469 1.00 0.54 H new ATOM 595 N THR A 38 -2.485 -5.343 4.384 1.00 0.32 N ATOM 596 CA THR A 38 -2.785 -6.046 5.613 1.00 0.37 C ATOM 597 C THR A 38 -2.834 -5.103 6.815 1.00 0.35 C ATOM 598 O THR A 38 -3.906 -4.643 7.198 1.00 0.40 O ATOM 599 CB THR A 38 -1.769 -7.175 5.867 1.00 0.43 C ATOM 600 OG1 THR A 38 -1.757 -8.066 4.747 1.00 0.53 O ATOM 601 CG2 THR A 38 -2.106 -7.948 7.137 1.00 0.48 C ATOM 0 H THR A 38 -1.491 -5.191 4.210 1.00 0.32 H new ATOM 0 HA THR A 38 -3.776 -6.484 5.492 1.00 0.37 H new ATOM 0 HB THR A 38 -0.784 -6.727 5.996 1.00 0.43 H new ATOM 0 HG1 THR A 38 -1.002 -8.686 4.830 1.00 0.53 H new ATOM 0 HG21 THR A 38 -1.370 -8.738 7.288 1.00 0.48 H new ATOM 0 HG22 THR A 38 -2.091 -7.270 7.990 1.00 0.48 H new ATOM 0 HG23 THR A 38 -3.098 -8.390 7.042 1.00 0.48 H new ATOM 609 N ASP A 39 -1.673 -4.791 7.376 1.00 0.34 N ATOM 610 CA ASP A 39 -1.612 -4.118 8.670 1.00 0.36 C ATOM 611 C ASP A 39 -1.620 -2.599 8.526 1.00 0.32 C ATOM 612 O ASP A 39 -2.035 -1.891 9.436 1.00 0.48 O ATOM 613 CB ASP A 39 -0.357 -4.547 9.426 1.00 0.45 C ATOM 614 CG ASP A 39 0.884 -3.853 8.898 1.00 0.95 C ATOM 615 OD1 ASP A 39 1.168 -3.965 7.694 1.00 1.44 O ATOM 616 OD2 ASP A 39 1.597 -3.206 9.702 1.00 1.32 O ATOM 0 H ASP A 39 -0.764 -4.991 6.959 1.00 0.34 H new ATOM 0 HA ASP A 39 -2.502 -4.409 9.228 1.00 0.36 H new ATOM 0 HB2 ASP A 39 -0.476 -4.322 10.486 1.00 0.45 H new ATOM 0 HB3 ASP A 39 -0.233 -5.627 9.342 1.00 0.45 H new ATOM 621 N GLY A 40 -1.158 -2.108 7.387 1.00 0.28 N ATOM 622 CA GLY A 40 -1.055 -0.675 7.190 1.00 0.27 C ATOM 623 C GLY A 40 0.380 -0.209 7.093 1.00 0.29 C ATOM 624 O GLY A 40 0.652 0.987 7.197 1.00 0.39 O ATOM 0 H GLY A 40 -0.852 -2.674 6.595 1.00 0.28 H new ATOM 0 HA2 GLY A 40 -1.587 -0.397 6.280 1.00 0.27 H new ATOM 0 HA3 GLY A 40 -1.546 -0.161 8.016 1.00 0.27 H new ATOM 628 N SER A 41 1.303 -1.152 6.913 1.00 0.29 N ATOM 629 CA SER A 41 2.705 -0.812 6.703 1.00 0.38 C ATOM 630 C SER A 41 2.871 0.031 5.443 1.00 0.32 C ATOM 631 O SER A 41 2.827 -0.483 4.325 1.00 0.32 O ATOM 632 CB SER A 41 3.565 -2.072 6.592 1.00 0.51 C ATOM 633 OG SER A 41 3.638 -2.766 7.825 1.00 0.93 O ATOM 0 H SER A 41 1.105 -2.153 6.909 1.00 0.29 H new ATOM 0 HA SER A 41 3.037 -0.235 7.566 1.00 0.38 H new ATOM 0 HB2 SER A 41 3.150 -2.730 5.828 1.00 0.51 H new ATOM 0 HB3 SER A 41 4.569 -1.800 6.267 1.00 0.51 H new ATOM 0 HG SER A 41 4.193 -3.566 7.718 1.00 0.93 H new ATOM 639 N VAL A 42 3.033 1.328 5.640 1.00 0.32 N ATOM 640 CA VAL A 42 3.253 2.253 4.542 1.00 0.28 C ATOM 641 C VAL A 42 4.743 2.464 4.330 1.00 0.29 C ATOM 642 O VAL A 42 5.451 2.964 5.206 1.00 0.35 O ATOM 643 CB VAL A 42 2.576 3.618 4.787 1.00 0.28 C ATOM 644 CG1 VAL A 42 2.857 4.573 3.634 1.00 0.26 C ATOM 645 CG2 VAL A 42 1.078 3.449 4.980 1.00 0.31 C ATOM 0 H VAL A 42 3.016 1.768 6.560 1.00 0.32 H new ATOM 0 HA VAL A 42 2.805 1.810 3.653 1.00 0.28 H new ATOM 0 HB VAL A 42 2.995 4.044 5.699 1.00 0.28 H new ATOM 0 HG11 VAL A 42 2.371 5.529 3.827 1.00 0.26 H new ATOM 0 HG12 VAL A 42 3.932 4.725 3.541 1.00 0.26 H new ATOM 0 HG13 VAL A 42 2.469 4.149 2.708 1.00 0.26 H new ATOM 0 HG21 VAL A 42 0.621 4.424 5.151 1.00 0.31 H new ATOM 0 HG22 VAL A 42 0.645 2.997 4.088 1.00 0.31 H new ATOM 0 HG23 VAL A 42 0.892 2.805 5.840 1.00 0.31 H new ATOM 655 N LEU A 43 5.216 2.055 3.174 1.00 0.28 N ATOM 656 CA LEU A 43 6.618 2.193 2.828 1.00 0.33 C ATOM 657 C LEU A 43 6.724 3.048 1.581 1.00 0.30 C ATOM 658 O LEU A 43 5.709 3.471 1.054 1.00 0.29 O ATOM 659 CB LEU A 43 7.228 0.803 2.624 1.00 0.44 C ATOM 660 CG LEU A 43 7.000 -0.156 3.794 1.00 0.51 C ATOM 661 CD1 LEU A 43 7.540 -1.538 3.472 1.00 0.63 C ATOM 662 CD2 LEU A 43 7.640 0.391 5.062 1.00 0.54 C ATOM 0 H LEU A 43 4.646 1.619 2.449 1.00 0.28 H new ATOM 0 HA LEU A 43 7.174 2.682 3.628 1.00 0.33 H new ATOM 0 HB2 LEU A 43 6.808 0.363 1.720 1.00 0.44 H new ATOM 0 HB3 LEU A 43 8.300 0.909 2.458 1.00 0.44 H new ATOM 0 HG LEU A 43 5.926 -0.244 3.961 1.00 0.51 H new ATOM 0 HD11 LEU A 43 7.367 -2.203 4.318 1.00 0.63 H new ATOM 0 HD12 LEU A 43 7.032 -1.931 2.592 1.00 0.63 H new ATOM 0 HD13 LEU A 43 8.610 -1.474 3.274 1.00 0.63 H new ATOM 0 HD21 LEU A 43 7.469 -0.303 5.885 1.00 0.54 H new ATOM 0 HD22 LEU A 43 8.712 0.511 4.906 1.00 0.54 H new ATOM 0 HD23 LEU A 43 7.198 1.357 5.305 1.00 0.54 H new ATOM 674 N CYS A 44 7.928 3.339 1.118 1.00 0.40 N ATOM 675 CA CYS A 44 8.059 4.169 -0.081 1.00 0.46 C ATOM 676 C CYS A 44 8.902 3.462 -1.139 1.00 0.61 C ATOM 677 O CYS A 44 9.406 2.370 -0.896 1.00 0.71 O ATOM 678 CB CYS A 44 8.626 5.561 0.263 1.00 0.52 C ATOM 679 SG CYS A 44 10.417 5.660 0.502 1.00 0.71 S ATOM 0 H CYS A 44 8.806 3.028 1.533 1.00 0.40 H new ATOM 0 HA CYS A 44 7.064 4.322 -0.499 1.00 0.46 H new ATOM 0 HB2 CYS A 44 8.349 6.250 -0.535 1.00 0.52 H new ATOM 0 HB3 CYS A 44 8.139 5.914 1.172 1.00 0.52 H new ATOM 0 HG CYS A 44 10.799 4.719 1.314 1.00 0.71 H new ATOM 684 N GLY A 45 9.030 4.049 -2.319 1.00 0.68 N ATOM 685 CA GLY A 45 9.864 3.440 -3.335 1.00 0.87 C ATOM 686 C GLY A 45 9.632 3.993 -4.722 1.00 1.23 C ATOM 687 O GLY A 45 8.623 3.699 -5.362 1.00 2.12 O ATOM 0 H GLY A 45 8.579 4.923 -2.590 1.00 0.68 H new ATOM 0 HA2 GLY A 45 10.911 3.583 -3.067 1.00 0.87 H new ATOM 0 HA3 GLY A 45 9.681 2.365 -3.346 1.00 0.87 H new ATOM 811 N GLY A 53 15.200 9.983 0.519 1.00 1.40 N ATOM 812 CA GLY A 53 14.981 8.703 1.149 1.00 1.25 C ATOM 813 C GLY A 53 14.558 7.655 0.145 1.00 1.07 C ATOM 814 O GLY A 53 14.596 7.896 -1.063 1.00 1.28 O ATOM 0 HA2 GLY A 53 15.895 8.381 1.649 1.00 1.25 H new ATOM 0 HA3 GLY A 53 14.215 8.801 1.918 1.00 1.25 H new ATOM 818 N GLY A 54 14.138 6.505 0.647 1.00 0.86 N ATOM 819 CA GLY A 54 13.710 5.418 -0.213 1.00 0.86 C ATOM 820 C GLY A 54 14.520 4.152 0.011 1.00 0.91 C ATOM 821 O GLY A 54 14.967 3.514 -0.938 1.00 1.55 O ATOM 0 H GLY A 54 14.085 6.302 1.645 1.00 0.86 H new ATOM 0 HA2 GLY A 54 12.656 5.209 -0.033 1.00 0.86 H new ATOM 0 HA3 GLY A 54 13.800 5.725 -1.255 1.00 0.86 H new ATOM 825 N ASN A 55 14.697 3.799 1.285 1.00 0.89 N ATOM 826 CA ASN A 55 15.456 2.611 1.685 1.00 0.87 C ATOM 827 C ASN A 55 14.710 1.309 1.365 1.00 1.01 C ATOM 828 O ASN A 55 13.606 1.329 0.822 1.00 1.21 O ATOM 829 CB ASN A 55 15.765 2.685 3.186 1.00 0.83 C ATOM 830 CG ASN A 55 16.807 3.741 3.526 1.00 1.45 C ATOM 831 OD1 ASN A 55 16.791 4.309 4.618 1.00 2.39 O ATOM 832 ND2 ASN A 55 17.720 4.012 2.603 1.00 1.63 N ATOM 0 H ASN A 55 14.318 4.329 2.070 1.00 0.89 H new ATOM 0 HA ASN A 55 16.383 2.599 1.111 1.00 0.87 H new ATOM 0 HB2 ASN A 55 14.846 2.901 3.731 1.00 0.83 H new ATOM 0 HB3 ASN A 55 16.117 1.712 3.528 1.00 0.83 H new ATOM 0 HD21 ASN A 55 18.440 4.711 2.787 1.00 1.63 H new ATOM 0 HD22 ASN A 55 17.703 3.521 1.709 1.00 1.63 H new ATOM 839 N GLY A 56 15.318 0.179 1.728 1.00 1.23 N ATOM 840 CA GLY A 56 14.769 -1.127 1.385 1.00 1.44 C ATOM 841 C GLY A 56 13.851 -1.697 2.453 1.00 1.14 C ATOM 842 O GLY A 56 14.102 -2.774 2.996 1.00 1.07 O ATOM 0 H GLY A 56 16.189 0.145 2.258 1.00 1.23 H new ATOM 0 HA2 GLY A 56 14.217 -1.046 0.448 1.00 1.44 H new ATOM 0 HA3 GLY A 56 15.589 -1.824 1.213 1.00 1.44 H new ATOM 846 N HIS A 57 12.774 -0.980 2.729 1.00 1.06 N ATOM 847 CA HIS A 57 11.787 -1.386 3.735 1.00 0.77 C ATOM 848 C HIS A 57 10.905 -2.503 3.218 1.00 0.66 C ATOM 849 O HIS A 57 10.390 -3.306 3.993 1.00 0.55 O ATOM 850 CB HIS A 57 10.898 -0.204 4.137 1.00 0.68 C ATOM 851 CG HIS A 57 11.020 0.953 3.226 1.00 0.72 C ATOM 852 ND1 HIS A 57 10.520 0.992 1.951 1.00 1.73 N ATOM 853 CD2 HIS A 57 11.637 2.126 3.428 1.00 0.82 C ATOM 854 CE1 HIS A 57 10.851 2.173 1.432 1.00 1.92 C ATOM 855 NE2 HIS A 57 11.527 2.897 2.293 1.00 1.19 N ATOM 0 H HIS A 57 12.553 -0.099 2.266 1.00 1.06 H new ATOM 0 HA HIS A 57 12.343 -1.738 4.604 1.00 0.77 H new ATOM 0 HB2 HIS A 57 9.859 -0.531 4.161 1.00 0.68 H new ATOM 0 HB3 HIS A 57 11.157 0.109 5.148 1.00 0.68 H new ATOM 0 HD1 HIS A 57 9.992 0.254 1.486 1.00 1.73 H new ATOM 0 HD2 HIS A 57 12.141 2.420 4.337 1.00 0.82 H new ATOM 0 HE1 HIS A 57 10.596 2.493 0.433 1.00 1.92 H new ATOM 863 N ALA A 58 10.716 -2.546 1.905 1.00 0.78 N ATOM 864 CA ALA A 58 9.872 -3.564 1.304 1.00 0.75 C ATOM 865 C ALA A 58 10.486 -4.939 1.536 1.00 0.66 C ATOM 866 O ALA A 58 9.780 -5.929 1.725 1.00 0.54 O ATOM 867 CB ALA A 58 9.678 -3.295 -0.180 1.00 0.97 C ATOM 0 H ALA A 58 11.133 -1.892 1.243 1.00 0.78 H new ATOM 0 HA ALA A 58 8.889 -3.536 1.774 1.00 0.75 H new ATOM 0 HB1 ALA A 58 9.043 -4.069 -0.610 1.00 0.97 H new ATOM 0 HB2 ALA A 58 9.206 -2.322 -0.315 1.00 0.97 H new ATOM 0 HB3 ALA A 58 10.646 -3.301 -0.680 1.00 0.97 H new ATOM 873 N LEU A 59 11.816 -4.974 1.545 1.00 0.78 N ATOM 874 CA LEU A 59 12.562 -6.184 1.863 1.00 0.79 C ATOM 875 C LEU A 59 12.321 -6.577 3.315 1.00 0.66 C ATOM 876 O LEU A 59 11.981 -7.723 3.616 1.00 0.63 O ATOM 877 CB LEU A 59 14.054 -5.953 1.629 1.00 0.98 C ATOM 878 CG LEU A 59 14.947 -7.165 1.895 1.00 1.75 C ATOM 879 CD1 LEU A 59 14.597 -8.306 0.951 1.00 2.28 C ATOM 880 CD2 LEU A 59 16.414 -6.786 1.759 1.00 2.31 C ATOM 0 H LEU A 59 12.403 -4.167 1.333 1.00 0.78 H new ATOM 0 HA LEU A 59 12.221 -6.991 1.215 1.00 0.79 H new ATOM 0 HB2 LEU A 59 14.199 -5.634 0.597 1.00 0.98 H new ATOM 0 HB3 LEU A 59 14.383 -5.132 2.266 1.00 0.98 H new ATOM 0 HG LEU A 59 14.773 -7.503 2.917 1.00 1.75 H new ATOM 0 HD11 LEU A 59 15.244 -9.159 1.156 1.00 2.28 H new ATOM 0 HD12 LEU A 59 13.557 -8.595 1.100 1.00 2.28 H new ATOM 0 HD13 LEU A 59 14.740 -7.982 -0.080 1.00 2.28 H new ATOM 0 HD21 LEU A 59 17.035 -7.661 1.952 1.00 2.31 H new ATOM 0 HD22 LEU A 59 16.604 -6.422 0.749 1.00 2.31 H new ATOM 0 HD23 LEU A 59 16.656 -6.004 2.478 1.00 2.31 H new ATOM 892 N GLU A 60 12.500 -5.605 4.208 1.00 0.66 N ATOM 893 CA GLU A 60 12.220 -5.788 5.631 1.00 0.65 C ATOM 894 C GLU A 60 10.821 -6.353 5.830 1.00 0.51 C ATOM 895 O GLU A 60 10.632 -7.349 6.521 1.00 0.57 O ATOM 896 CB GLU A 60 12.317 -4.455 6.376 1.00 0.76 C ATOM 897 CG GLU A 60 13.659 -3.753 6.258 1.00 0.99 C ATOM 898 CD GLU A 60 13.681 -2.449 7.030 1.00 1.98 C ATOM 899 OE1 GLU A 60 13.807 -2.496 8.272 1.00 2.64 O ATOM 900 OE2 GLU A 60 13.546 -1.373 6.409 1.00 2.58 O ATOM 0 H GLU A 60 12.841 -4.674 3.968 1.00 0.66 H new ATOM 0 HA GLU A 60 12.960 -6.484 6.027 1.00 0.65 H new ATOM 0 HB2 GLU A 60 11.540 -3.788 6.001 1.00 0.76 H new ATOM 0 HB3 GLU A 60 12.106 -4.629 7.431 1.00 0.76 H new ATOM 0 HG2 GLU A 60 14.446 -4.409 6.630 1.00 0.99 H new ATOM 0 HG3 GLU A 60 13.876 -3.558 5.208 1.00 0.99 H new ATOM 907 N HIS A 61 9.852 -5.713 5.194 1.00 0.43 N ATOM 908 CA HIS A 61 8.449 -6.077 5.340 1.00 0.41 C ATOM 909 C HIS A 61 8.173 -7.494 4.832 1.00 0.38 C ATOM 910 O HIS A 61 7.353 -8.215 5.403 1.00 0.40 O ATOM 911 CB HIS A 61 7.573 -5.063 4.597 1.00 0.57 C ATOM 912 CG HIS A 61 6.108 -5.295 4.769 1.00 0.94 C ATOM 913 ND1 HIS A 61 5.489 -5.327 6.000 1.00 1.54 N ATOM 914 CD2 HIS A 61 5.138 -5.514 3.855 1.00 1.45 C ATOM 915 CE1 HIS A 61 4.202 -5.556 5.834 1.00 1.72 C ATOM 916 NE2 HIS A 61 3.962 -5.674 4.542 1.00 1.60 N ATOM 0 H HIS A 61 10.014 -4.928 4.563 1.00 0.43 H new ATOM 0 HA HIS A 61 8.205 -6.061 6.402 1.00 0.41 H new ATOM 0 HB2 HIS A 61 7.817 -4.060 4.948 1.00 0.57 H new ATOM 0 HB3 HIS A 61 7.815 -5.097 3.535 1.00 0.57 H new ATOM 0 HD1 HIS A 61 5.954 -5.194 6.898 1.00 1.54 H new ATOM 0 HD2 HIS A 61 5.265 -5.555 2.783 1.00 1.45 H new ATOM 0 HE1 HIS A 61 3.468 -5.634 6.622 1.00 1.72 H new ATOM 925 N TYR A 62 8.857 -7.885 3.764 1.00 0.44 N ATOM 926 CA TYR A 62 8.674 -9.208 3.174 1.00 0.54 C ATOM 927 C TYR A 62 9.242 -10.289 4.092 1.00 0.59 C ATOM 928 O TYR A 62 8.711 -11.395 4.181 1.00 0.67 O ATOM 929 CB TYR A 62 9.353 -9.259 1.802 1.00 0.69 C ATOM 930 CG TYR A 62 9.029 -10.491 0.988 1.00 0.97 C ATOM 931 CD1 TYR A 62 7.753 -10.690 0.479 1.00 1.08 C ATOM 932 CD2 TYR A 62 10.002 -11.444 0.715 1.00 1.39 C ATOM 933 CE1 TYR A 62 7.453 -11.804 -0.282 1.00 1.55 C ATOM 934 CE2 TYR A 62 9.711 -12.563 -0.042 1.00 1.89 C ATOM 935 CZ TYR A 62 8.435 -12.739 -0.538 1.00 1.97 C ATOM 936 OH TYR A 62 8.141 -13.847 -1.298 1.00 2.50 O ATOM 0 H TYR A 62 9.546 -7.304 3.286 1.00 0.44 H new ATOM 0 HA TYR A 62 7.607 -9.395 3.050 1.00 0.54 H new ATOM 0 HB2 TYR A 62 9.061 -8.376 1.233 1.00 0.69 H new ATOM 0 HB3 TYR A 62 10.433 -9.205 1.943 1.00 0.69 H new ATOM 0 HD1 TYR A 62 6.981 -9.962 0.681 1.00 1.08 H new ATOM 0 HD2 TYR A 62 11.002 -11.308 1.100 1.00 1.39 H new ATOM 0 HE1 TYR A 62 6.456 -11.942 -0.674 1.00 1.55 H new ATOM 0 HE2 TYR A 62 10.478 -13.296 -0.244 1.00 1.89 H new ATOM 0 HH TYR A 62 8.941 -14.406 -1.385 1.00 2.50 H new ATOM 946 N ARG A 63 10.322 -9.949 4.780 1.00 0.60 N ATOM 947 CA ARG A 63 10.967 -10.854 5.707 1.00 0.73 C ATOM 948 C ARG A 63 10.242 -10.879 7.055 1.00 0.75 C ATOM 949 O ARG A 63 10.031 -11.942 7.641 1.00 0.87 O ATOM 950 CB ARG A 63 12.414 -10.421 5.886 1.00 0.80 C ATOM 951 CG ARG A 63 13.129 -11.207 6.949 1.00 1.19 C ATOM 952 CD ARG A 63 14.578 -10.781 7.074 1.00 1.33 C ATOM 953 NE ARG A 63 15.056 -10.879 8.448 1.00 1.71 N ATOM 954 CZ ARG A 63 15.916 -10.024 8.994 1.00 2.01 C ATOM 955 NH1 ARG A 63 16.469 -9.066 8.256 1.00 1.88 N ATOM 956 NH2 ARG A 63 16.238 -10.136 10.275 1.00 2.76 N ATOM 0 H ARG A 63 10.772 -9.037 4.708 1.00 0.60 H new ATOM 0 HA ARG A 63 10.931 -11.865 5.302 1.00 0.73 H new ATOM 0 HB2 ARG A 63 12.942 -10.534 4.939 1.00 0.80 H new ATOM 0 HB3 ARG A 63 12.443 -9.362 6.142 1.00 0.80 H new ATOM 0 HG2 ARG A 63 12.625 -11.070 7.906 1.00 1.19 H new ATOM 0 HG3 ARG A 63 13.080 -12.270 6.712 1.00 1.19 H new ATOM 0 HD2 ARG A 63 15.197 -11.405 6.429 1.00 1.33 H new ATOM 0 HD3 ARG A 63 14.686 -9.754 6.724 1.00 1.33 H new ATOM 0 HE ARG A 63 14.711 -11.647 9.023 1.00 1.71 H new ATOM 0 HH11 ARG A 63 16.234 -8.985 7.267 1.00 1.88 H new ATOM 0 HH12 ARG A 63 17.128 -8.413 8.679 1.00 1.88 H new ATOM 0 HH21 ARG A 63 15.826 -10.878 10.841 1.00 2.76 H new ATOM 0 HH22 ARG A 63 16.898 -9.481 10.694 1.00 2.76 H new ATOM 970 N ASP A 64 9.856 -9.703 7.530 1.00 0.68 N ATOM 971 CA ASP A 64 9.237 -9.559 8.848 1.00 0.75 C ATOM 972 C ASP A 64 7.797 -10.061 8.860 1.00 0.75 C ATOM 973 O ASP A 64 7.445 -10.947 9.637 1.00 0.89 O ATOM 974 CB ASP A 64 9.275 -8.093 9.284 1.00 0.75 C ATOM 975 CG ASP A 64 8.544 -7.845 10.589 1.00 1.18 C ATOM 976 OD1 ASP A 64 8.981 -8.370 11.632 1.00 1.43 O ATOM 977 OD2 ASP A 64 7.543 -7.098 10.577 1.00 1.85 O ATOM 0 H ASP A 64 9.960 -8.826 7.020 1.00 0.68 H new ATOM 0 HA ASP A 64 9.808 -10.170 9.547 1.00 0.75 H new ATOM 0 HB2 ASP A 64 10.313 -7.778 9.390 1.00 0.75 H new ATOM 0 HB3 ASP A 64 8.832 -7.475 8.503 1.00 0.75 H new ATOM 982 N MET A 65 6.967 -9.488 8.001 1.00 0.63 N ATOM 983 CA MET A 65 5.549 -9.820 7.987 1.00 0.67 C ATOM 984 C MET A 65 5.200 -10.736 6.823 1.00 0.65 C ATOM 985 O MET A 65 4.318 -11.586 6.931 1.00 0.80 O ATOM 986 CB MET A 65 4.708 -8.552 7.916 1.00 0.68 C ATOM 987 CG MET A 65 4.779 -7.711 9.174 1.00 0.75 C ATOM 988 SD MET A 65 3.809 -6.197 9.042 1.00 1.35 S ATOM 989 CE MET A 65 4.139 -5.440 10.634 1.00 1.84 C ATOM 0 H MET A 65 7.248 -8.795 7.308 1.00 0.63 H new ATOM 0 HA MET A 65 5.327 -10.350 8.913 1.00 0.67 H new ATOM 0 HB2 MET A 65 5.039 -7.952 7.068 1.00 0.68 H new ATOM 0 HB3 MET A 65 3.669 -8.824 7.728 1.00 0.68 H new ATOM 0 HG2 MET A 65 4.420 -8.297 10.020 1.00 0.75 H new ATOM 0 HG3 MET A 65 5.819 -7.457 9.380 1.00 0.75 H new ATOM 0 HE1 MET A 65 3.606 -4.492 10.703 1.00 1.84 H new ATOM 0 HE2 MET A 65 3.802 -6.105 11.430 1.00 1.84 H new ATOM 0 HE3 MET A 65 5.210 -5.263 10.738 1.00 1.84 H new ATOM 999 N GLY A 66 5.870 -10.536 5.699 1.00 0.56 N ATOM 1000 CA GLY A 66 5.659 -11.395 4.550 1.00 0.64 C ATOM 1001 C GLY A 66 4.584 -10.885 3.612 1.00 0.70 C ATOM 1002 O GLY A 66 4.572 -11.248 2.438 1.00 1.36 O ATOM 0 H GLY A 66 6.557 -9.794 5.560 1.00 0.56 H new ATOM 0 HA2 GLY A 66 6.595 -11.492 4.000 1.00 0.64 H new ATOM 0 HA3 GLY A 66 5.387 -12.392 4.895 1.00 0.64 H new ATOM 1006 N TYR A 67 3.686 -10.049 4.134 1.00 0.55 N ATOM 1007 CA TYR A 67 2.560 -9.522 3.357 1.00 0.49 C ATOM 1008 C TYR A 67 3.053 -8.750 2.133 1.00 0.53 C ATOM 1009 O TYR A 67 3.584 -7.645 2.250 1.00 0.82 O ATOM 1010 CB TYR A 67 1.689 -8.624 4.240 1.00 0.64 C ATOM 1011 CG TYR A 67 1.249 -9.287 5.528 1.00 1.61 C ATOM 1012 CD1 TYR A 67 0.508 -10.461 5.509 1.00 2.31 C ATOM 1013 CD2 TYR A 67 1.570 -8.736 6.763 1.00 2.04 C ATOM 1014 CE1 TYR A 67 0.099 -11.067 6.681 1.00 3.28 C ATOM 1015 CE2 TYR A 67 1.166 -9.337 7.941 1.00 2.98 C ATOM 1016 CZ TYR A 67 0.453 -10.508 7.898 1.00 3.57 C ATOM 1017 OH TYR A 67 0.026 -11.110 9.061 1.00 4.55 O ATOM 0 H TYR A 67 3.716 -9.719 5.099 1.00 0.55 H new ATOM 0 HA TYR A 67 1.961 -10.362 3.006 1.00 0.49 H new ATOM 0 HB2 TYR A 67 2.243 -7.716 4.479 1.00 0.64 H new ATOM 0 HB3 TYR A 67 0.806 -8.320 3.677 1.00 0.64 H new ATOM 0 HD1 TYR A 67 0.247 -10.908 4.561 1.00 2.31 H new ATOM 0 HD2 TYR A 67 2.145 -7.823 6.803 1.00 2.04 H new ATOM 0 HE1 TYR A 67 -0.492 -11.970 6.649 1.00 3.28 H new ATOM 0 HE2 TYR A 67 1.411 -8.886 8.891 1.00 2.98 H new ATOM 0 HH TYR A 67 0.355 -10.602 9.832 1.00 4.55 H new ATOM 1027 N PRO A 68 2.874 -9.336 0.940 1.00 0.46 N ATOM 1028 CA PRO A 68 3.441 -8.842 -0.305 1.00 0.59 C ATOM 1029 C PRO A 68 2.452 -8.089 -1.197 1.00 0.49 C ATOM 1030 O PRO A 68 2.445 -8.282 -2.416 1.00 0.64 O ATOM 1031 CB PRO A 68 3.832 -10.151 -0.979 1.00 0.80 C ATOM 1032 CG PRO A 68 2.843 -11.174 -0.486 1.00 0.88 C ATOM 1033 CD PRO A 68 2.121 -10.570 0.698 1.00 0.59 C ATOM 0 HA PRO A 68 4.238 -8.119 -0.132 1.00 0.59 H new ATOM 0 HB2 PRO A 68 3.793 -10.060 -2.064 1.00 0.80 H new ATOM 0 HB3 PRO A 68 4.852 -10.436 -0.720 1.00 0.80 H new ATOM 0 HG2 PRO A 68 2.137 -11.436 -1.274 1.00 0.88 H new ATOM 0 HG3 PRO A 68 3.353 -12.093 -0.197 1.00 0.88 H new ATOM 0 HD2 PRO A 68 1.074 -10.368 0.473 1.00 0.59 H new ATOM 0 HD3 PRO A 68 2.139 -11.232 1.564 1.00 0.59 H new ATOM 1041 N LEU A 69 1.630 -7.239 -0.608 1.00 0.34 N ATOM 1042 CA LEU A 69 0.631 -6.494 -1.368 1.00 0.28 C ATOM 1043 C LEU A 69 0.505 -5.083 -0.821 1.00 0.24 C ATOM 1044 O LEU A 69 0.338 -4.896 0.384 1.00 0.27 O ATOM 1045 CB LEU A 69 -0.718 -7.210 -1.306 1.00 0.34 C ATOM 1046 CG LEU A 69 -0.762 -8.562 -2.016 1.00 0.43 C ATOM 1047 CD1 LEU A 69 -1.564 -9.561 -1.202 1.00 0.61 C ATOM 1048 CD2 LEU A 69 -1.343 -8.409 -3.415 1.00 0.43 C ATOM 0 H LEU A 69 1.631 -7.045 0.393 1.00 0.34 H new ATOM 0 HA LEU A 69 0.949 -6.438 -2.409 1.00 0.28 H new ATOM 0 HB2 LEU A 69 -0.987 -7.356 -0.260 1.00 0.34 H new ATOM 0 HB3 LEU A 69 -1.477 -6.562 -1.743 1.00 0.34 H new ATOM 0 HG LEU A 69 0.256 -8.940 -2.111 1.00 0.43 H new ATOM 0 HD11 LEU A 69 -1.586 -10.519 -1.721 1.00 0.61 H new ATOM 0 HD12 LEU A 69 -1.100 -9.689 -0.224 1.00 0.61 H new ATOM 0 HD13 LEU A 69 -2.582 -9.193 -1.076 1.00 0.61 H new ATOM 0 HD21 LEU A 69 -1.367 -9.381 -3.907 1.00 0.43 H new ATOM 0 HD22 LEU A 69 -2.356 -8.011 -3.347 1.00 0.43 H new ATOM 0 HD23 LEU A 69 -0.723 -7.725 -3.994 1.00 0.43 H new ATOM 1060 N ALA A 70 0.576 -4.091 -1.702 1.00 0.22 N ATOM 1061 CA ALA A 70 0.583 -2.705 -1.259 1.00 0.24 C ATOM 1062 C ALA A 70 -0.082 -1.769 -2.272 1.00 0.27 C ATOM 1063 O ALA A 70 -0.033 -1.998 -3.481 1.00 0.32 O ATOM 1064 CB ALA A 70 2.012 -2.268 -0.980 1.00 0.27 C ATOM 0 H ALA A 70 0.629 -4.219 -2.713 1.00 0.22 H new ATOM 0 HA ALA A 70 -0.004 -2.642 -0.343 1.00 0.24 H new ATOM 0 HB1 ALA A 70 2.017 -1.230 -0.648 1.00 0.27 H new ATOM 0 HB2 ALA A 70 2.440 -2.900 -0.202 1.00 0.27 H new ATOM 0 HB3 ALA A 70 2.605 -2.361 -1.890 1.00 0.27 H new ATOM 1070 N VAL A 71 -0.717 -0.725 -1.752 1.00 0.26 N ATOM 1071 CA VAL A 71 -1.377 0.282 -2.574 1.00 0.29 C ATOM 1072 C VAL A 71 -0.450 1.467 -2.814 1.00 0.30 C ATOM 1073 O VAL A 71 0.037 2.075 -1.861 1.00 0.29 O ATOM 1074 CB VAL A 71 -2.676 0.800 -1.900 1.00 0.31 C ATOM 1075 CG1 VAL A 71 -3.333 1.881 -2.745 1.00 0.36 C ATOM 1076 CG2 VAL A 71 -3.652 -0.340 -1.653 1.00 0.32 C ATOM 0 H VAL A 71 -0.789 -0.553 -0.749 1.00 0.26 H new ATOM 0 HA VAL A 71 -1.630 -0.193 -3.522 1.00 0.29 H new ATOM 0 HB VAL A 71 -2.401 1.233 -0.938 1.00 0.31 H new ATOM 0 HG11 VAL A 71 -4.241 2.227 -2.251 1.00 0.36 H new ATOM 0 HG12 VAL A 71 -2.644 2.717 -2.866 1.00 0.36 H new ATOM 0 HG13 VAL A 71 -3.585 1.474 -3.724 1.00 0.36 H new ATOM 0 HG21 VAL A 71 -4.554 0.049 -1.180 1.00 0.32 H new ATOM 0 HG22 VAL A 71 -3.913 -0.808 -2.602 1.00 0.32 H new ATOM 0 HG23 VAL A 71 -3.190 -1.080 -0.999 1.00 0.32 H new ATOM 1086 N LYS A 72 -0.199 1.788 -4.076 1.00 0.33 N ATOM 1087 CA LYS A 72 0.590 2.961 -4.411 1.00 0.36 C ATOM 1088 C LYS A 72 -0.226 4.204 -4.078 1.00 0.37 C ATOM 1089 O LYS A 72 -1.230 4.500 -4.726 1.00 0.42 O ATOM 1090 CB LYS A 72 0.992 2.938 -5.891 1.00 0.43 C ATOM 1091 CG LYS A 72 2.100 3.919 -6.274 1.00 0.50 C ATOM 1092 CD LYS A 72 1.619 5.362 -6.304 1.00 0.89 C ATOM 1093 CE LYS A 72 2.735 6.313 -6.701 1.00 0.91 C ATOM 1094 NZ LYS A 72 2.304 7.736 -6.659 1.00 1.54 N ATOM 0 H LYS A 72 -0.529 1.254 -4.880 1.00 0.33 H new ATOM 0 HA LYS A 72 1.512 2.968 -3.829 1.00 0.36 H new ATOM 0 HB2 LYS A 72 1.315 1.929 -6.149 1.00 0.43 H new ATOM 0 HB3 LYS A 72 0.111 3.154 -6.495 1.00 0.43 H new ATOM 0 HG2 LYS A 72 2.922 3.829 -5.564 1.00 0.50 H new ATOM 0 HG3 LYS A 72 2.495 3.651 -7.254 1.00 0.50 H new ATOM 0 HD2 LYS A 72 0.792 5.456 -7.008 1.00 0.89 H new ATOM 0 HD3 LYS A 72 1.235 5.639 -5.322 1.00 0.89 H new ATOM 0 HE2 LYS A 72 3.584 6.173 -6.032 1.00 0.91 H new ATOM 0 HE3 LYS A 72 3.077 6.069 -7.707 1.00 0.91 H new ATOM 0 HZ1 LYS A 72 2.437 8.167 -7.596 1.00 1.54 H new ATOM 0 HZ2 LYS A 72 1.300 7.787 -6.394 1.00 1.54 H new ATOM 0 HZ3 LYS A 72 2.874 8.251 -5.958 1.00 1.54 H new ATOM 1108 N LEU A 73 0.204 4.906 -3.053 1.00 0.33 N ATOM 1109 CA LEU A 73 -0.514 6.058 -2.550 1.00 0.33 C ATOM 1110 C LEU A 73 -0.251 7.280 -3.416 1.00 0.35 C ATOM 1111 O LEU A 73 0.746 7.344 -4.137 1.00 0.38 O ATOM 1112 CB LEU A 73 -0.087 6.312 -1.115 1.00 0.32 C ATOM 1113 CG LEU A 73 -0.239 5.101 -0.196 1.00 0.32 C ATOM 1114 CD1 LEU A 73 0.570 5.280 1.072 1.00 0.31 C ATOM 1115 CD2 LEU A 73 -1.704 4.880 0.138 1.00 0.35 C ATOM 0 H LEU A 73 1.062 4.695 -2.544 1.00 0.33 H new ATOM 0 HA LEU A 73 -1.586 5.861 -2.582 1.00 0.33 H new ATOM 0 HB2 LEU A 73 0.955 6.631 -1.108 1.00 0.32 H new ATOM 0 HB3 LEU A 73 -0.676 7.136 -0.712 1.00 0.32 H new ATOM 0 HG LEU A 73 0.141 4.223 -0.719 1.00 0.32 H new ATOM 0 HD11 LEU A 73 0.445 4.405 1.710 1.00 0.31 H new ATOM 0 HD12 LEU A 73 1.624 5.397 0.818 1.00 0.31 H new ATOM 0 HD13 LEU A 73 0.224 6.167 1.602 1.00 0.31 H new ATOM 0 HD21 LEU A 73 -1.801 4.015 0.793 1.00 0.35 H new ATOM 0 HD22 LEU A 73 -2.100 5.762 0.641 1.00 0.35 H new ATOM 0 HD23 LEU A 73 -2.264 4.704 -0.780 1.00 0.35 H new ATOM 1127 N GLY A 74 -1.150 8.243 -3.337 1.00 0.37 N ATOM 1128 CA GLY A 74 -1.043 9.432 -4.159 1.00 0.41 C ATOM 1129 C GLY A 74 -1.916 9.354 -5.398 1.00 0.43 C ATOM 1130 O GLY A 74 -2.263 10.380 -5.982 1.00 0.49 O ATOM 0 H GLY A 74 -1.958 8.225 -2.715 1.00 0.37 H new ATOM 0 HA2 GLY A 74 -1.327 10.305 -3.571 1.00 0.41 H new ATOM 0 HA3 GLY A 74 -0.004 9.573 -4.457 1.00 0.41 H new ATOM 1134 N THR A 75 -2.282 8.142 -5.796 1.00 0.43 N ATOM 1135 CA THR A 75 -3.110 7.950 -6.983 1.00 0.47 C ATOM 1136 C THR A 75 -4.485 7.425 -6.593 1.00 0.43 C ATOM 1137 O THR A 75 -5.199 6.827 -7.400 1.00 0.43 O ATOM 1138 CB THR A 75 -2.453 6.978 -7.991 1.00 0.50 C ATOM 1139 OG1 THR A 75 -2.179 5.719 -7.366 1.00 0.44 O ATOM 1140 CG2 THR A 75 -1.153 7.551 -8.535 1.00 0.62 C ATOM 0 H THR A 75 -2.021 7.280 -5.318 1.00 0.43 H new ATOM 0 HA THR A 75 -3.213 8.922 -7.465 1.00 0.47 H new ATOM 0 HB THR A 75 -3.153 6.836 -8.814 1.00 0.50 H new ATOM 0 HG1 THR A 75 -1.529 5.221 -7.904 1.00 0.44 H new ATOM 0 HG21 THR A 75 -0.712 6.847 -9.241 1.00 0.62 H new ATOM 0 HG22 THR A 75 -1.355 8.495 -9.042 1.00 0.62 H new ATOM 0 HG23 THR A 75 -0.459 7.722 -7.713 1.00 0.62 H new ATOM 1148 N ILE A 76 -4.851 7.666 -5.343 1.00 0.44 N ATOM 1149 CA ILE A 76 -6.112 7.189 -4.809 1.00 0.43 C ATOM 1150 C ILE A 76 -7.264 8.069 -5.276 1.00 0.46 C ATOM 1151 O ILE A 76 -7.342 9.258 -4.949 1.00 0.53 O ATOM 1152 CB ILE A 76 -6.061 7.123 -3.270 1.00 0.45 C ATOM 1153 CG1 ILE A 76 -5.054 6.061 -2.840 1.00 0.45 C ATOM 1154 CG2 ILE A 76 -7.438 6.819 -2.692 1.00 0.49 C ATOM 1155 CD1 ILE A 76 -4.319 6.422 -1.579 1.00 0.47 C ATOM 0 H ILE A 76 -4.286 8.193 -4.677 1.00 0.44 H new ATOM 0 HA ILE A 76 -6.283 6.181 -5.187 1.00 0.43 H new ATOM 0 HB ILE A 76 -5.746 8.093 -2.886 1.00 0.45 H new ATOM 0 HG12 ILE A 76 -5.574 5.114 -2.692 1.00 0.45 H new ATOM 0 HG13 ILE A 76 -4.333 5.907 -3.642 1.00 0.45 H new ATOM 0 HG21 ILE A 76 -7.375 6.778 -1.605 1.00 0.49 H new ATOM 0 HG22 ILE A 76 -8.137 7.602 -2.986 1.00 0.49 H new ATOM 0 HG23 ILE A 76 -7.788 5.859 -3.072 1.00 0.49 H new ATOM 0 HD11 ILE A 76 -3.618 5.627 -1.326 1.00 0.47 H new ATOM 0 HD12 ILE A 76 -3.773 7.353 -1.730 1.00 0.47 H new ATOM 0 HD13 ILE A 76 -5.033 6.548 -0.765 1.00 0.47 H new ATOM 1167 N THR A 77 -8.134 7.470 -6.064 1.00 0.45 N ATOM 1168 CA THR A 77 -9.288 8.150 -6.620 1.00 0.50 C ATOM 1169 C THR A 77 -10.537 7.312 -6.281 1.00 0.56 C ATOM 1170 O THR A 77 -10.393 6.196 -5.781 1.00 0.62 O ATOM 1171 CB THR A 77 -9.074 8.329 -8.153 1.00 0.51 C ATOM 1172 OG1 THR A 77 -9.466 9.648 -8.563 1.00 1.48 O ATOM 1173 CG2 THR A 77 -9.840 7.292 -8.965 1.00 1.27 C ATOM 0 H THR A 77 -8.060 6.491 -6.339 1.00 0.45 H new ATOM 0 HA THR A 77 -9.424 9.146 -6.198 1.00 0.50 H new ATOM 0 HB THR A 77 -8.011 8.186 -8.346 1.00 0.51 H new ATOM 0 HG1 THR A 77 -9.930 9.598 -9.425 1.00 1.48 H new ATOM 0 HG21 THR A 77 -9.660 7.457 -10.027 1.00 1.27 H new ATOM 0 HG22 THR A 77 -9.502 6.293 -8.690 1.00 1.27 H new ATOM 0 HG23 THR A 77 -10.906 7.384 -8.759 1.00 1.27 H new ATOM 1181 N PRO A 78 -11.772 7.820 -6.526 1.00 0.65 N ATOM 1182 CA PRO A 78 -13.009 7.126 -6.132 1.00 0.73 C ATOM 1183 C PRO A 78 -13.296 5.875 -6.973 1.00 0.75 C ATOM 1184 O PRO A 78 -14.450 5.489 -7.169 1.00 0.98 O ATOM 1185 CB PRO A 78 -14.107 8.170 -6.335 1.00 0.88 C ATOM 1186 CG PRO A 78 -13.541 9.214 -7.232 1.00 1.04 C ATOM 1187 CD PRO A 78 -12.045 9.085 -7.221 1.00 0.74 C ATOM 0 HA PRO A 78 -12.939 6.760 -5.108 1.00 0.73 H new ATOM 0 HB2 PRO A 78 -14.994 7.718 -6.778 1.00 0.88 H new ATOM 0 HB3 PRO A 78 -14.412 8.602 -5.382 1.00 0.88 H new ATOM 0 HG2 PRO A 78 -13.925 9.093 -8.245 1.00 1.04 H new ATOM 0 HG3 PRO A 78 -13.839 10.207 -6.895 1.00 1.04 H new ATOM 0 HD2 PRO A 78 -11.644 9.072 -8.234 1.00 0.74 H new ATOM 0 HD3 PRO A 78 -11.581 9.926 -6.705 1.00 0.74 H new ATOM 1195 N ASP A 79 -12.231 5.257 -7.455 1.00 0.72 N ATOM 1196 CA ASP A 79 -12.301 4.013 -8.213 1.00 0.80 C ATOM 1197 C ASP A 79 -11.275 3.037 -7.657 1.00 0.73 C ATOM 1198 O ASP A 79 -11.557 1.857 -7.445 1.00 0.85 O ATOM 1199 CB ASP A 79 -12.016 4.272 -9.696 1.00 0.90 C ATOM 1200 CG ASP A 79 -11.936 2.995 -10.514 1.00 1.35 C ATOM 1201 OD1 ASP A 79 -10.839 2.410 -10.612 1.00 1.64 O ATOM 1202 OD2 ASP A 79 -12.976 2.558 -11.051 1.00 2.05 O ATOM 0 H ASP A 79 -11.281 5.607 -7.331 1.00 0.72 H new ATOM 0 HA ASP A 79 -13.303 3.593 -8.122 1.00 0.80 H new ATOM 0 HB2 ASP A 79 -12.799 4.911 -10.105 1.00 0.90 H new ATOM 0 HB3 ASP A 79 -11.077 4.818 -9.791 1.00 0.90 H new ATOM 1207 N GLY A 80 -10.079 3.557 -7.419 1.00 0.60 N ATOM 1208 CA GLY A 80 -9.007 2.770 -6.850 1.00 0.62 C ATOM 1209 C GLY A 80 -7.681 3.495 -6.941 1.00 0.52 C ATOM 1210 O GLY A 80 -7.649 4.723 -7.068 1.00 0.65 O ATOM 0 H GLY A 80 -9.831 4.527 -7.614 1.00 0.60 H new ATOM 0 HA2 GLY A 80 -9.231 2.548 -5.807 1.00 0.62 H new ATOM 0 HA3 GLY A 80 -8.938 1.815 -7.372 1.00 0.62 H new ATOM 1214 N ALA A 81 -6.591 2.741 -6.868 1.00 0.42 N ATOM 1215 CA ALA A 81 -5.252 3.297 -7.014 1.00 0.38 C ATOM 1216 C ALA A 81 -4.337 2.263 -7.647 1.00 0.34 C ATOM 1217 O ALA A 81 -4.795 1.178 -8.012 1.00 0.35 O ATOM 1218 CB ALA A 81 -4.702 3.734 -5.666 1.00 0.50 C ATOM 0 H ALA A 81 -6.610 1.734 -6.707 1.00 0.42 H new ATOM 0 HA ALA A 81 -5.303 4.174 -7.659 1.00 0.38 H new ATOM 0 HB1 ALA A 81 -3.702 4.146 -5.798 1.00 0.50 H new ATOM 0 HB2 ALA A 81 -5.354 4.494 -5.236 1.00 0.50 H new ATOM 0 HB3 ALA A 81 -4.656 2.875 -4.996 1.00 0.50 H new ATOM 1224 N ASP A 82 -3.056 2.592 -7.789 1.00 0.34 N ATOM 1225 CA ASP A 82 -2.089 1.633 -8.325 1.00 0.34 C ATOM 1226 C ASP A 82 -1.899 0.473 -7.356 1.00 0.33 C ATOM 1227 O ASP A 82 -1.231 0.609 -6.332 1.00 0.53 O ATOM 1228 CB ASP A 82 -0.726 2.279 -8.586 1.00 0.45 C ATOM 1229 CG ASP A 82 -0.739 3.313 -9.688 1.00 0.92 C ATOM 1230 OD1 ASP A 82 -0.590 2.934 -10.870 1.00 1.25 O ATOM 1231 OD2 ASP A 82 -0.853 4.514 -9.373 1.00 1.77 O ATOM 0 H ASP A 82 -2.665 3.502 -7.545 1.00 0.34 H new ATOM 0 HA ASP A 82 -2.492 1.274 -9.272 1.00 0.34 H new ATOM 0 HB2 ASP A 82 -0.375 2.747 -7.666 1.00 0.45 H new ATOM 0 HB3 ASP A 82 -0.008 1.499 -8.841 1.00 0.45 H new ATOM 1236 N VAL A 83 -2.497 -0.661 -7.669 1.00 0.34 N ATOM 1237 CA VAL A 83 -2.342 -1.846 -6.842 1.00 0.41 C ATOM 1238 C VAL A 83 -1.096 -2.603 -7.271 1.00 0.40 C ATOM 1239 O VAL A 83 -1.036 -3.126 -8.384 1.00 0.43 O ATOM 1240 CB VAL A 83 -3.560 -2.785 -6.953 1.00 0.54 C ATOM 1241 CG1 VAL A 83 -3.516 -3.857 -5.873 1.00 0.88 C ATOM 1242 CG2 VAL A 83 -4.858 -1.997 -6.892 1.00 0.70 C ATOM 0 H VAL A 83 -3.093 -0.788 -8.487 1.00 0.34 H new ATOM 0 HA VAL A 83 -2.256 -1.519 -5.806 1.00 0.41 H new ATOM 0 HB VAL A 83 -3.518 -3.284 -7.921 1.00 0.54 H new ATOM 0 HG11 VAL A 83 -4.385 -4.508 -5.971 1.00 0.88 H new ATOM 0 HG12 VAL A 83 -2.606 -4.447 -5.983 1.00 0.88 H new ATOM 0 HG13 VAL A 83 -3.525 -3.385 -4.891 1.00 0.88 H new ATOM 0 HG21 VAL A 83 -5.703 -2.681 -6.972 1.00 0.70 H new ATOM 0 HG22 VAL A 83 -4.914 -1.461 -5.945 1.00 0.70 H new ATOM 0 HG23 VAL A 83 -4.889 -1.283 -7.715 1.00 0.70 H new ATOM 1252 N TYR A 84 -0.099 -2.662 -6.410 1.00 0.41 N ATOM 1253 CA TYR A 84 1.133 -3.335 -6.770 1.00 0.42 C ATOM 1254 C TYR A 84 1.331 -4.585 -5.933 1.00 0.42 C ATOM 1255 O TYR A 84 1.158 -4.575 -4.713 1.00 0.44 O ATOM 1256 CB TYR A 84 2.335 -2.404 -6.623 1.00 0.48 C ATOM 1257 CG TYR A 84 3.480 -2.766 -7.544 1.00 0.82 C ATOM 1258 CD1 TYR A 84 3.539 -2.246 -8.831 1.00 1.24 C ATOM 1259 CD2 TYR A 84 4.491 -3.631 -7.139 1.00 1.74 C ATOM 1260 CE1 TYR A 84 4.568 -2.580 -9.689 1.00 1.81 C ATOM 1261 CE2 TYR A 84 5.526 -3.966 -7.993 1.00 2.45 C ATOM 1262 CZ TYR A 84 5.560 -3.438 -9.267 1.00 2.31 C ATOM 1263 OH TYR A 84 6.584 -3.776 -10.126 1.00 3.09 O ATOM 0 H TYR A 84 -0.116 -2.260 -5.473 1.00 0.41 H new ATOM 0 HA TYR A 84 1.054 -3.627 -7.817 1.00 0.42 H new ATOM 0 HB2 TYR A 84 2.022 -1.380 -6.827 1.00 0.48 H new ATOM 0 HB3 TYR A 84 2.684 -2.431 -5.591 1.00 0.48 H new ATOM 0 HD1 TYR A 84 2.767 -1.569 -9.166 1.00 1.24 H new ATOM 0 HD2 TYR A 84 4.467 -4.047 -6.143 1.00 1.74 H new ATOM 0 HE1 TYR A 84 4.595 -2.170 -10.688 1.00 1.81 H new ATOM 0 HE2 TYR A 84 6.304 -4.638 -7.664 1.00 2.45 H new ATOM 0 HH TYR A 84 6.503 -4.720 -10.376 1.00 3.09 H new ATOM 1273 N SER A 85 1.683 -5.661 -6.604 1.00 0.43 N ATOM 1274 CA SER A 85 1.943 -6.924 -5.950 1.00 0.45 C ATOM 1275 C SER A 85 3.449 -7.063 -5.734 1.00 0.47 C ATOM 1276 O SER A 85 4.216 -7.053 -6.690 1.00 0.59 O ATOM 1277 CB SER A 85 1.389 -8.061 -6.819 1.00 0.51 C ATOM 1278 OG SER A 85 2.063 -8.142 -8.061 1.00 1.41 O ATOM 0 H SER A 85 1.797 -5.684 -7.617 1.00 0.43 H new ATOM 0 HA SER A 85 1.450 -6.970 -4.979 1.00 0.45 H new ATOM 0 HB2 SER A 85 1.488 -9.008 -6.288 1.00 0.51 H new ATOM 0 HB3 SER A 85 0.324 -7.903 -6.991 1.00 0.51 H new ATOM 0 HG SER A 85 1.813 -7.376 -8.619 1.00 1.41 H new ATOM 1284 N PHE A 86 3.883 -7.158 -4.488 1.00 0.47 N ATOM 1285 CA PHE A 86 5.307 -7.176 -4.198 1.00 0.54 C ATOM 1286 C PHE A 86 5.887 -8.575 -4.395 1.00 0.57 C ATOM 1287 O PHE A 86 7.055 -8.730 -4.744 1.00 0.70 O ATOM 1288 CB PHE A 86 5.564 -6.674 -2.778 1.00 0.60 C ATOM 1289 CG PHE A 86 7.015 -6.650 -2.410 1.00 1.16 C ATOM 1290 CD1 PHE A 86 7.885 -5.759 -3.013 1.00 1.30 C ATOM 1291 CD2 PHE A 86 7.507 -7.530 -1.468 1.00 2.19 C ATOM 1292 CE1 PHE A 86 9.225 -5.748 -2.680 1.00 2.20 C ATOM 1293 CE2 PHE A 86 8.846 -7.526 -1.130 1.00 3.16 C ATOM 1294 CZ PHE A 86 9.706 -6.634 -1.737 1.00 3.10 C ATOM 0 H PHE A 86 3.278 -7.223 -3.670 1.00 0.47 H new ATOM 0 HA PHE A 86 5.809 -6.507 -4.897 1.00 0.54 H new ATOM 0 HB2 PHE A 86 5.154 -5.669 -2.676 1.00 0.60 H new ATOM 0 HB3 PHE A 86 5.028 -7.310 -2.073 1.00 0.60 H new ATOM 0 HD1 PHE A 86 7.512 -5.065 -3.752 1.00 1.30 H new ATOM 0 HD2 PHE A 86 6.838 -8.230 -0.990 1.00 2.19 H new ATOM 0 HE1 PHE A 86 9.895 -5.048 -3.156 1.00 2.20 H new ATOM 0 HE2 PHE A 86 9.219 -8.220 -0.392 1.00 3.16 H new ATOM 0 HZ PHE A 86 10.754 -6.629 -1.475 1.00 3.10 H new ATOM 1304 N GLN A 87 5.061 -9.592 -4.179 1.00 0.56 N ATOM 1305 CA GLN A 87 5.488 -10.972 -4.380 1.00 0.67 C ATOM 1306 C GLN A 87 5.629 -11.259 -5.869 1.00 0.72 C ATOM 1307 O GLN A 87 6.607 -11.858 -6.315 1.00 0.84 O ATOM 1308 CB GLN A 87 4.478 -11.936 -3.736 1.00 0.75 C ATOM 1309 CG GLN A 87 4.888 -13.404 -3.780 1.00 0.93 C ATOM 1310 CD GLN A 87 4.435 -14.123 -5.041 1.00 1.56 C ATOM 1311 OE1 GLN A 87 5.108 -15.028 -5.523 1.00 2.36 O ATOM 1312 NE2 GLN A 87 3.278 -13.746 -5.567 1.00 2.08 N ATOM 0 H GLN A 87 4.096 -9.488 -3.866 1.00 0.56 H new ATOM 0 HA GLN A 87 6.457 -11.120 -3.904 1.00 0.67 H new ATOM 0 HB2 GLN A 87 4.329 -11.645 -2.696 1.00 0.75 H new ATOM 0 HB3 GLN A 87 3.517 -11.825 -4.239 1.00 0.75 H new ATOM 0 HG2 GLN A 87 5.973 -13.472 -3.702 1.00 0.93 H new ATOM 0 HG3 GLN A 87 4.473 -13.915 -2.911 1.00 0.93 H new ATOM 0 HE21 GLN A 87 2.746 -12.989 -5.138 1.00 2.08 H new ATOM 0 HE22 GLN A 87 2.920 -14.213 -6.400 1.00 2.08 H new ATOM 1321 N GLU A 88 4.652 -10.798 -6.627 1.00 0.68 N ATOM 1322 CA GLU A 88 4.587 -11.047 -8.051 1.00 0.75 C ATOM 1323 C GLU A 88 5.355 -9.969 -8.824 1.00 0.70 C ATOM 1324 O GLU A 88 5.678 -10.132 -10.002 1.00 0.78 O ATOM 1325 CB GLU A 88 3.113 -11.068 -8.449 1.00 0.80 C ATOM 1326 CG GLU A 88 2.829 -11.797 -9.736 1.00 1.08 C ATOM 1327 CD GLU A 88 1.344 -11.969 -9.980 1.00 1.56 C ATOM 1328 OE1 GLU A 88 0.703 -12.743 -9.235 1.00 2.02 O ATOM 1329 OE2 GLU A 88 0.817 -11.354 -10.929 1.00 2.25 O ATOM 0 H GLU A 88 3.879 -10.238 -6.269 1.00 0.68 H new ATOM 0 HA GLU A 88 5.052 -12.002 -8.294 1.00 0.75 H new ATOM 0 HB2 GLU A 88 2.539 -11.533 -7.647 1.00 0.80 H new ATOM 0 HB3 GLU A 88 2.759 -10.041 -8.541 1.00 0.80 H new ATOM 0 HG2 GLU A 88 3.271 -11.248 -10.568 1.00 1.08 H new ATOM 0 HG3 GLU A 88 3.307 -12.776 -9.710 1.00 1.08 H new ATOM 1336 N GLU A 89 5.648 -8.875 -8.112 1.00 0.62 N ATOM 1337 CA GLU A 89 6.331 -7.690 -8.649 1.00 0.65 C ATOM 1338 C GLU A 89 5.601 -7.134 -9.871 1.00 0.62 C ATOM 1339 O GLU A 89 6.201 -6.494 -10.738 1.00 0.78 O ATOM 1340 CB GLU A 89 7.801 -7.980 -8.979 1.00 0.80 C ATOM 1341 CG GLU A 89 8.648 -6.715 -9.045 1.00 1.48 C ATOM 1342 CD GLU A 89 10.079 -6.967 -9.457 1.00 1.67 C ATOM 1343 OE1 GLU A 89 10.902 -7.321 -8.589 1.00 1.55 O ATOM 1344 OE2 GLU A 89 10.392 -6.797 -10.654 1.00 2.29 O ATOM 0 H GLU A 89 5.412 -8.786 -7.124 1.00 0.62 H new ATOM 0 HA GLU A 89 6.312 -6.930 -7.868 1.00 0.65 H new ATOM 0 HB2 GLU A 89 8.213 -8.650 -8.224 1.00 0.80 H new ATOM 0 HB3 GLU A 89 7.859 -8.502 -9.934 1.00 0.80 H new ATOM 0 HG2 GLU A 89 8.193 -6.019 -9.750 1.00 1.48 H new ATOM 0 HG3 GLU A 89 8.640 -6.231 -8.069 1.00 1.48 H new ATOM 1351 N GLU A 90 4.300 -7.356 -9.918 1.00 0.49 N ATOM 1352 CA GLU A 90 3.479 -6.906 -11.028 1.00 0.53 C ATOM 1353 C GLU A 90 2.425 -5.918 -10.557 1.00 0.45 C ATOM 1354 O GLU A 90 2.048 -5.906 -9.384 1.00 0.44 O ATOM 1355 CB GLU A 90 2.787 -8.100 -11.685 1.00 0.67 C ATOM 1356 CG GLU A 90 3.691 -8.908 -12.590 1.00 1.26 C ATOM 1357 CD GLU A 90 4.086 -8.140 -13.830 1.00 1.72 C ATOM 1358 OE1 GLU A 90 3.206 -7.891 -14.681 1.00 2.05 O ATOM 1359 OE2 GLU A 90 5.269 -7.765 -13.955 1.00 2.10 O ATOM 0 H GLU A 90 3.784 -7.851 -9.191 1.00 0.49 H new ATOM 0 HA GLU A 90 4.130 -6.412 -11.750 1.00 0.53 H new ATOM 0 HB2 GLU A 90 2.391 -8.752 -10.906 1.00 0.67 H new ATOM 0 HB3 GLU A 90 1.936 -7.741 -12.264 1.00 0.67 H new ATOM 0 HG2 GLU A 90 4.588 -9.197 -12.042 1.00 1.26 H new ATOM 0 HG3 GLU A 90 3.184 -9.828 -12.880 1.00 1.26 H new ATOM 1366 N PRO A 91 1.955 -5.057 -11.456 1.00 0.47 N ATOM 1367 CA PRO A 91 0.785 -4.235 -11.204 1.00 0.45 C ATOM 1368 C PRO A 91 -0.463 -5.101 -11.257 1.00 0.44 C ATOM 1369 O PRO A 91 -0.788 -5.670 -12.299 1.00 0.51 O ATOM 1370 CB PRO A 91 0.793 -3.210 -12.350 1.00 0.54 C ATOM 1371 CG PRO A 91 2.109 -3.384 -13.039 1.00 0.64 C ATOM 1372 CD PRO A 91 2.520 -4.803 -12.784 1.00 0.60 C ATOM 0 HA PRO A 91 0.795 -3.754 -10.226 1.00 0.45 H new ATOM 0 HB2 PRO A 91 -0.035 -3.385 -13.037 1.00 0.54 H new ATOM 0 HB3 PRO A 91 0.682 -2.195 -11.968 1.00 0.54 H new ATOM 0 HG2 PRO A 91 2.019 -3.189 -14.108 1.00 0.64 H new ATOM 0 HG3 PRO A 91 2.850 -2.686 -12.649 1.00 0.64 H new ATOM 0 HD2 PRO A 91 2.118 -5.484 -13.534 1.00 0.60 H new ATOM 0 HD3 PRO A 91 3.604 -4.921 -12.794 1.00 0.60 H new ATOM 1380 N VAL A 92 -1.151 -5.212 -10.136 1.00 0.41 N ATOM 1381 CA VAL A 92 -2.285 -6.109 -10.029 1.00 0.44 C ATOM 1382 C VAL A 92 -3.548 -5.331 -9.700 1.00 0.46 C ATOM 1383 O VAL A 92 -3.591 -4.111 -9.835 1.00 0.58 O ATOM 1384 CB VAL A 92 -2.068 -7.200 -8.955 1.00 0.46 C ATOM 1385 CG1 VAL A 92 -0.990 -8.178 -9.395 1.00 0.50 C ATOM 1386 CG2 VAL A 92 -1.699 -6.581 -7.615 1.00 0.46 C ATOM 0 H VAL A 92 -0.943 -4.690 -9.285 1.00 0.41 H new ATOM 0 HA VAL A 92 -2.390 -6.600 -10.996 1.00 0.44 H new ATOM 0 HB VAL A 92 -3.006 -7.743 -8.836 1.00 0.46 H new ATOM 0 HG11 VAL A 92 -0.852 -8.938 -8.626 1.00 0.50 H new ATOM 0 HG12 VAL A 92 -1.291 -8.656 -10.327 1.00 0.50 H new ATOM 0 HG13 VAL A 92 -0.053 -7.642 -9.548 1.00 0.50 H new ATOM 0 HG21 VAL A 92 -1.552 -7.370 -6.878 1.00 0.46 H new ATOM 0 HG22 VAL A 92 -0.778 -6.007 -7.721 1.00 0.46 H new ATOM 0 HG23 VAL A 92 -2.502 -5.922 -7.285 1.00 0.46 H new ATOM 1396 N LEU A 93 -4.573 -6.044 -9.275 1.00 0.56 N ATOM 1397 CA LEU A 93 -5.844 -5.425 -8.954 1.00 0.59 C ATOM 1398 C LEU A 93 -6.432 -6.072 -7.715 1.00 0.56 C ATOM 1399 O LEU A 93 -6.501 -7.298 -7.624 1.00 0.66 O ATOM 1400 CB LEU A 93 -6.817 -5.575 -10.127 1.00 0.67 C ATOM 1401 CG LEU A 93 -7.767 -4.398 -10.352 1.00 0.87 C ATOM 1402 CD1 LEU A 93 -8.648 -4.643 -11.565 1.00 1.32 C ATOM 1403 CD2 LEU A 93 -8.627 -4.123 -9.126 1.00 1.49 C ATOM 0 H LEU A 93 -4.550 -7.055 -9.144 1.00 0.56 H new ATOM 0 HA LEU A 93 -5.681 -4.364 -8.764 1.00 0.59 H new ATOM 0 HB2 LEU A 93 -6.239 -5.731 -11.038 1.00 0.67 H new ATOM 0 HB3 LEU A 93 -7.412 -6.474 -9.969 1.00 0.67 H new ATOM 0 HG LEU A 93 -7.152 -3.516 -10.533 1.00 0.87 H new ATOM 0 HD11 LEU A 93 -9.316 -3.794 -11.707 1.00 1.32 H new ATOM 0 HD12 LEU A 93 -8.023 -4.765 -12.450 1.00 1.32 H new ATOM 0 HD13 LEU A 93 -9.238 -5.546 -11.410 1.00 1.32 H new ATOM 0 HD21 LEU A 93 -9.288 -3.280 -9.327 1.00 1.49 H new ATOM 0 HD22 LEU A 93 -9.224 -5.005 -8.895 1.00 1.49 H new ATOM 0 HD23 LEU A 93 -7.985 -3.887 -8.277 1.00 1.49 H new ATOM 1415 N ASP A 94 -6.848 -5.247 -6.769 1.00 0.57 N ATOM 1416 CA ASP A 94 -7.518 -5.738 -5.576 1.00 0.54 C ATOM 1417 C ASP A 94 -9.001 -5.411 -5.635 1.00 0.53 C ATOM 1418 O ASP A 94 -9.394 -4.246 -5.687 1.00 0.54 O ATOM 1419 CB ASP A 94 -6.920 -5.135 -4.306 1.00 0.56 C ATOM 1420 CG ASP A 94 -7.627 -5.632 -3.057 1.00 0.64 C ATOM 1421 OD1 ASP A 94 -8.064 -6.808 -3.037 1.00 0.85 O ATOM 1422 OD2 ASP A 94 -7.789 -4.841 -2.112 1.00 0.85 O ATOM 0 H ASP A 94 -6.734 -4.234 -6.804 1.00 0.57 H new ATOM 0 HA ASP A 94 -7.377 -6.818 -5.544 1.00 0.54 H new ATOM 0 HB2 ASP A 94 -5.861 -5.387 -4.248 1.00 0.56 H new ATOM 0 HB3 ASP A 94 -6.987 -4.048 -4.353 1.00 0.56 H new ATOM 1427 N PRO A 95 -9.845 -6.438 -5.660 1.00 0.59 N ATOM 1428 CA PRO A 95 -11.301 -6.277 -5.622 1.00 0.66 C ATOM 1429 C PRO A 95 -11.801 -5.755 -4.269 1.00 0.64 C ATOM 1430 O PRO A 95 -13.003 -5.589 -4.064 1.00 0.74 O ATOM 1431 CB PRO A 95 -11.823 -7.701 -5.879 1.00 0.75 C ATOM 1432 CG PRO A 95 -10.658 -8.437 -6.452 1.00 0.77 C ATOM 1433 CD PRO A 95 -9.458 -7.848 -5.782 1.00 0.66 C ATOM 0 HA PRO A 95 -11.648 -5.543 -6.349 1.00 0.66 H new ATOM 0 HB2 PRO A 95 -12.171 -8.167 -4.957 1.00 0.75 H new ATOM 0 HB3 PRO A 95 -12.666 -7.695 -6.570 1.00 0.75 H new ATOM 0 HG2 PRO A 95 -10.733 -9.507 -6.257 1.00 0.77 H new ATOM 0 HG3 PRO A 95 -10.606 -8.313 -7.534 1.00 0.77 H new ATOM 0 HD2 PRO A 95 -9.266 -8.305 -4.811 1.00 0.66 H new ATOM 0 HD3 PRO A 95 -8.554 -7.974 -6.378 1.00 0.66 H new ATOM 1441 N HIS A 96 -10.875 -5.497 -3.347 1.00 0.58 N ATOM 1442 CA HIS A 96 -11.236 -5.048 -2.003 1.00 0.64 C ATOM 1443 C HIS A 96 -10.567 -3.723 -1.661 1.00 0.57 C ATOM 1444 O HIS A 96 -10.411 -3.396 -0.483 1.00 0.58 O ATOM 1445 CB HIS A 96 -10.826 -6.089 -0.950 1.00 0.80 C ATOM 1446 CG HIS A 96 -11.070 -7.507 -1.356 1.00 1.01 C ATOM 1447 ND1 HIS A 96 -10.139 -8.256 -2.041 1.00 1.93 N ATOM 1448 CD2 HIS A 96 -12.136 -8.317 -1.166 1.00 1.18 C ATOM 1449 CE1 HIS A 96 -10.622 -9.464 -2.255 1.00 1.93 C ATOM 1450 NE2 HIS A 96 -11.832 -9.528 -1.734 1.00 1.31 N ATOM 0 H HIS A 96 -9.872 -5.591 -3.505 1.00 0.58 H new ATOM 0 HA HIS A 96 -12.318 -4.918 -1.993 1.00 0.64 H new ATOM 0 HB2 HIS A 96 -9.766 -5.965 -0.727 1.00 0.80 H new ATOM 0 HB3 HIS A 96 -11.371 -5.889 -0.028 1.00 0.80 H new ATOM 0 HD1 HIS A 96 -9.220 -7.928 -2.337 1.00 1.93 H new ATOM 0 HD2 HIS A 96 -13.055 -8.059 -0.661 1.00 1.18 H new ATOM 0 HE1 HIS A 96 -10.113 -10.265 -2.770 1.00 1.93 H new ATOM 1459 N LEU A 97 -10.184 -2.962 -2.682 1.00 0.56 N ATOM 1460 CA LEU A 97 -9.533 -1.671 -2.475 1.00 0.54 C ATOM 1461 C LEU A 97 -10.368 -0.786 -1.569 1.00 0.54 C ATOM 1462 O LEU A 97 -9.857 -0.190 -0.620 1.00 0.55 O ATOM 1463 CB LEU A 97 -9.317 -0.957 -3.807 1.00 0.59 C ATOM 1464 CG LEU A 97 -8.330 -1.618 -4.760 1.00 0.62 C ATOM 1465 CD1 LEU A 97 -8.356 -0.899 -6.094 1.00 0.73 C ATOM 1466 CD2 LEU A 97 -6.924 -1.617 -4.172 1.00 0.63 C ATOM 0 H LEU A 97 -10.313 -3.216 -3.661 1.00 0.56 H new ATOM 0 HA LEU A 97 -8.568 -1.860 -2.004 1.00 0.54 H new ATOM 0 HB2 LEU A 97 -10.279 -0.871 -4.312 1.00 0.59 H new ATOM 0 HB3 LEU A 97 -8.973 0.057 -3.603 1.00 0.59 H new ATOM 0 HG LEU A 97 -8.624 -2.657 -4.910 1.00 0.62 H new ATOM 0 HD11 LEU A 97 -7.650 -1.372 -6.776 1.00 0.73 H new ATOM 0 HD12 LEU A 97 -9.359 -0.952 -6.516 1.00 0.73 H new ATOM 0 HD13 LEU A 97 -8.078 0.145 -5.950 1.00 0.73 H new ATOM 0 HD21 LEU A 97 -6.237 -2.094 -4.871 1.00 0.63 H new ATOM 0 HD22 LEU A 97 -6.605 -0.590 -3.994 1.00 0.63 H new ATOM 0 HD23 LEU A 97 -6.923 -2.166 -3.230 1.00 0.63 H new ATOM 1478 N ALA A 98 -11.663 -0.732 -1.847 1.00 0.58 N ATOM 1479 CA ALA A 98 -12.566 0.118 -1.083 1.00 0.63 C ATOM 1480 C ALA A 98 -12.669 -0.375 0.350 1.00 0.61 C ATOM 1481 O ALA A 98 -12.731 0.418 1.286 1.00 0.65 O ATOM 1482 CB ALA A 98 -13.937 0.165 -1.733 1.00 0.74 C ATOM 0 H ALA A 98 -12.111 -1.264 -2.593 1.00 0.58 H new ATOM 0 HA ALA A 98 -12.161 1.130 -1.072 1.00 0.63 H new ATOM 0 HB1 ALA A 98 -14.596 0.805 -1.146 1.00 0.74 H new ATOM 0 HB2 ALA A 98 -13.847 0.565 -2.743 1.00 0.74 H new ATOM 0 HB3 ALA A 98 -14.354 -0.841 -1.777 1.00 0.74 H new ATOM 1488 N LYS A 99 -12.664 -1.693 0.511 1.00 0.60 N ATOM 1489 CA LYS A 99 -12.684 -2.301 1.831 1.00 0.64 C ATOM 1490 C LYS A 99 -11.414 -1.949 2.585 1.00 0.58 C ATOM 1491 O LYS A 99 -11.457 -1.596 3.762 1.00 0.61 O ATOM 1492 CB LYS A 99 -12.808 -3.819 1.719 1.00 0.73 C ATOM 1493 CG LYS A 99 -12.794 -4.541 3.063 1.00 0.89 C ATOM 1494 CD LYS A 99 -13.927 -4.087 3.973 1.00 1.73 C ATOM 1495 CE LYS A 99 -15.282 -4.524 3.444 1.00 2.30 C ATOM 1496 NZ LYS A 99 -15.401 -6.005 3.375 1.00 2.81 N ATOM 0 H LYS A 99 -12.646 -2.361 -0.260 1.00 0.60 H new ATOM 0 HA LYS A 99 -13.546 -1.915 2.375 1.00 0.64 H new ATOM 0 HB2 LYS A 99 -13.734 -4.061 1.197 1.00 0.73 H new ATOM 0 HB3 LYS A 99 -11.989 -4.196 1.106 1.00 0.73 H new ATOM 0 HG2 LYS A 99 -12.872 -5.615 2.897 1.00 0.89 H new ATOM 0 HG3 LYS A 99 -11.839 -4.364 3.558 1.00 0.89 H new ATOM 0 HD2 LYS A 99 -13.777 -4.496 4.972 1.00 1.73 H new ATOM 0 HD3 LYS A 99 -13.906 -3.001 4.067 1.00 1.73 H new ATOM 0 HE2 LYS A 99 -16.068 -4.127 4.087 1.00 2.30 H new ATOM 0 HE3 LYS A 99 -15.438 -4.101 2.452 1.00 2.30 H new ATOM 0 HZ1 LYS A 99 -16.402 -6.269 3.275 1.00 2.81 H new ATOM 0 HZ2 LYS A 99 -14.866 -6.358 2.556 1.00 2.81 H new ATOM 0 HZ3 LYS A 99 -15.018 -6.425 4.246 1.00 2.81 H new ATOM 1510 N HIS A 100 -10.289 -2.042 1.889 1.00 0.55 N ATOM 1511 CA HIS A 100 -8.998 -1.723 2.478 1.00 0.59 C ATOM 1512 C HIS A 100 -8.976 -0.281 2.965 1.00 0.57 C ATOM 1513 O HIS A 100 -8.517 0.002 4.063 1.00 0.62 O ATOM 1514 CB HIS A 100 -7.862 -1.960 1.472 1.00 0.69 C ATOM 1515 CG HIS A 100 -6.511 -1.605 2.004 1.00 1.73 C ATOM 1516 ND1 HIS A 100 -5.915 -2.277 3.047 1.00 2.69 N ATOM 1517 CD2 HIS A 100 -5.644 -0.631 1.641 1.00 2.45 C ATOM 1518 CE1 HIS A 100 -4.744 -1.732 3.305 1.00 3.49 C ATOM 1519 NE2 HIS A 100 -4.552 -0.734 2.465 1.00 3.34 N ATOM 0 H HIS A 100 -10.246 -2.337 0.913 1.00 0.55 H new ATOM 0 HA HIS A 100 -8.844 -2.384 3.331 1.00 0.59 H new ATOM 0 HB2 HIS A 100 -7.863 -3.009 1.175 1.00 0.69 H new ATOM 0 HB3 HIS A 100 -8.055 -1.374 0.573 1.00 0.69 H new ATOM 0 HD1 HIS A 100 -6.317 -3.073 3.543 1.00 2.69 H new ATOM 0 HD2 HIS A 100 -5.785 0.092 0.851 1.00 2.45 H new ATOM 0 HE1 HIS A 100 -4.057 -2.049 4.075 1.00 3.49 H new ATOM 1528 N LEU A 101 -9.486 0.624 2.145 1.00 0.58 N ATOM 1529 CA LEU A 101 -9.495 2.034 2.485 1.00 0.66 C ATOM 1530 C LEU A 101 -10.510 2.320 3.583 1.00 0.68 C ATOM 1531 O LEU A 101 -10.241 3.089 4.497 1.00 0.76 O ATOM 1532 CB LEU A 101 -9.799 2.871 1.248 1.00 0.70 C ATOM 1533 CG LEU A 101 -8.906 2.573 0.045 1.00 0.72 C ATOM 1534 CD1 LEU A 101 -9.213 3.518 -1.103 1.00 0.81 C ATOM 1535 CD2 LEU A 101 -7.439 2.660 0.429 1.00 0.79 C ATOM 0 H LEU A 101 -9.899 0.405 1.239 1.00 0.58 H new ATOM 0 HA LEU A 101 -8.507 2.304 2.858 1.00 0.66 H new ATOM 0 HB2 LEU A 101 -10.838 2.709 0.962 1.00 0.70 H new ATOM 0 HB3 LEU A 101 -9.700 3.926 1.505 1.00 0.70 H new ATOM 0 HG LEU A 101 -9.114 1.555 -0.286 1.00 0.72 H new ATOM 0 HD11 LEU A 101 -8.565 3.286 -1.948 1.00 0.81 H new ATOM 0 HD12 LEU A 101 -10.255 3.401 -1.402 1.00 0.81 H new ATOM 0 HD13 LEU A 101 -9.040 4.546 -0.784 1.00 0.81 H new ATOM 0 HD21 LEU A 101 -6.821 2.444 -0.443 1.00 0.79 H new ATOM 0 HD22 LEU A 101 -7.217 3.664 0.792 1.00 0.79 H new ATOM 0 HD23 LEU A 101 -7.225 1.935 1.214 1.00 0.79 H new ATOM 1547 N ALA A 102 -11.670 1.685 3.494 1.00 0.68 N ATOM 1548 CA ALA A 102 -12.726 1.864 4.492 1.00 0.78 C ATOM 1549 C ALA A 102 -12.286 1.367 5.865 1.00 0.76 C ATOM 1550 O ALA A 102 -12.544 2.012 6.881 1.00 0.85 O ATOM 1551 CB ALA A 102 -13.997 1.152 4.060 1.00 0.88 C ATOM 0 H ALA A 102 -11.908 1.039 2.741 1.00 0.68 H new ATOM 0 HA ALA A 102 -12.928 2.932 4.569 1.00 0.78 H new ATOM 0 HB1 ALA A 102 -14.770 1.297 4.815 1.00 0.88 H new ATOM 0 HB2 ALA A 102 -14.338 1.561 3.109 1.00 0.88 H new ATOM 0 HB3 ALA A 102 -13.796 0.087 3.946 1.00 0.88 H new ATOM 1557 N HIS A 103 -11.596 0.232 5.886 1.00 0.72 N ATOM 1558 CA HIS A 103 -11.057 -0.325 7.127 1.00 0.79 C ATOM 1559 C HIS A 103 -9.938 0.569 7.656 1.00 0.88 C ATOM 1560 O HIS A 103 -9.462 0.409 8.780 1.00 1.02 O ATOM 1561 CB HIS A 103 -10.532 -1.741 6.879 1.00 0.86 C ATOM 1562 CG HIS A 103 -10.149 -2.492 8.120 1.00 1.10 C ATOM 1563 ND1 HIS A 103 -8.842 -2.679 8.520 1.00 1.75 N ATOM 1564 CD2 HIS A 103 -10.913 -3.125 9.041 1.00 1.50 C ATOM 1565 CE1 HIS A 103 -8.823 -3.397 9.627 1.00 1.77 C ATOM 1566 NE2 HIS A 103 -10.065 -3.679 9.965 1.00 1.52 N ATOM 0 H HIS A 103 -11.395 -0.324 5.055 1.00 0.72 H new ATOM 0 HA HIS A 103 -11.851 -0.371 7.872 1.00 0.79 H new ATOM 0 HB2 HIS A 103 -11.295 -2.309 6.347 1.00 0.86 H new ATOM 0 HB3 HIS A 103 -9.663 -1.683 6.223 1.00 0.86 H new ATOM 0 HD2 HIS A 103 -11.991 -3.183 9.047 1.00 1.50 H new ATOM 0 HE1 HIS A 103 -7.938 -3.702 10.166 1.00 1.77 H new ATOM 0 HE2 HIS A 103 -10.349 -4.221 10.781 1.00 1.52 H new ATOM 1575 N PHE A 104 -9.532 1.516 6.830 1.00 0.86 N ATOM 1576 CA PHE A 104 -8.469 2.441 7.174 1.00 1.03 C ATOM 1577 C PHE A 104 -9.025 3.839 7.400 1.00 1.11 C ATOM 1578 O PHE A 104 -8.283 4.773 7.713 1.00 1.29 O ATOM 1579 CB PHE A 104 -7.416 2.445 6.067 1.00 1.06 C ATOM 1580 CG PHE A 104 -6.347 1.408 6.274 1.00 1.10 C ATOM 1581 CD1 PHE A 104 -6.674 0.062 6.355 1.00 1.34 C ATOM 1582 CD2 PHE A 104 -5.020 1.776 6.397 1.00 1.24 C ATOM 1583 CE1 PHE A 104 -5.700 -0.893 6.553 1.00 1.40 C ATOM 1584 CE2 PHE A 104 -4.040 0.822 6.593 1.00 1.35 C ATOM 1585 CZ PHE A 104 -4.382 -0.513 6.673 1.00 1.30 C ATOM 0 H PHE A 104 -9.930 1.665 5.903 1.00 0.86 H new ATOM 0 HA PHE A 104 -8.001 2.117 8.104 1.00 1.03 H new ATOM 0 HB2 PHE A 104 -7.904 2.271 5.108 1.00 1.06 H new ATOM 0 HB3 PHE A 104 -6.954 3.431 6.015 1.00 1.06 H new ATOM 0 HD1 PHE A 104 -7.706 -0.242 6.262 1.00 1.34 H new ATOM 0 HD2 PHE A 104 -4.747 2.819 6.339 1.00 1.24 H new ATOM 0 HE1 PHE A 104 -5.970 -1.937 6.614 1.00 1.40 H new ATOM 0 HE2 PHE A 104 -3.006 1.121 6.684 1.00 1.35 H new ATOM 0 HZ PHE A 104 -3.617 -1.259 6.830 1.00 1.30 H new ATOM 1595 N GLY A 105 -10.339 3.972 7.242 1.00 1.03 N ATOM 1596 CA GLY A 105 -10.985 5.259 7.415 1.00 1.17 C ATOM 1597 C GLY A 105 -10.638 6.223 6.300 1.00 1.18 C ATOM 1598 O GLY A 105 -10.883 7.424 6.404 1.00 1.35 O ATOM 0 H GLY A 105 -10.969 3.208 6.996 1.00 1.03 H new ATOM 0 HA2 GLY A 105 -12.066 5.120 7.451 1.00 1.17 H new ATOM 0 HA3 GLY A 105 -10.687 5.689 8.371 1.00 1.17 H new ATOM 1602 N ILE A 106 -10.052 5.691 5.236 1.00 1.03 N ATOM 1603 CA ILE A 106 -9.665 6.486 4.088 1.00 1.04 C ATOM 1604 C ILE A 106 -10.887 6.842 3.252 1.00 0.98 C ATOM 1605 O ILE A 106 -11.630 5.964 2.805 1.00 0.96 O ATOM 1606 CB ILE A 106 -8.622 5.746 3.227 1.00 0.98 C ATOM 1607 CG1 ILE A 106 -7.336 5.546 4.030 1.00 1.16 C ATOM 1608 CG2 ILE A 106 -8.347 6.528 1.954 1.00 0.98 C ATOM 1609 CD1 ILE A 106 -6.269 4.777 3.288 1.00 1.22 C ATOM 0 H ILE A 106 -9.834 4.698 5.148 1.00 1.03 H new ATOM 0 HA ILE A 106 -9.210 7.407 4.453 1.00 1.04 H new ATOM 0 HB ILE A 106 -9.013 4.767 2.949 1.00 0.98 H new ATOM 0 HG12 ILE A 106 -6.939 6.521 4.311 1.00 1.16 H new ATOM 0 HG13 ILE A 106 -7.574 5.020 4.954 1.00 1.16 H new ATOM 0 HG21 ILE A 106 -7.609 5.997 1.353 1.00 0.98 H new ATOM 0 HG22 ILE A 106 -9.271 6.633 1.385 1.00 0.98 H new ATOM 0 HG23 ILE A 106 -7.964 7.516 2.209 1.00 0.98 H new ATOM 0 HD11 ILE A 106 -5.387 4.675 3.921 1.00 1.22 H new ATOM 0 HD12 ILE A 106 -6.647 3.788 3.030 1.00 1.22 H new ATOM 0 HD13 ILE A 106 -6.002 5.312 2.377 1.00 1.22 H new ATOM 1621 N ASP A 107 -11.095 8.132 3.057 1.00 1.09 N ATOM 1622 CA ASP A 107 -12.278 8.620 2.370 1.00 1.17 C ATOM 1623 C ASP A 107 -11.992 8.962 0.919 1.00 1.10 C ATOM 1624 O ASP A 107 -11.455 10.028 0.624 1.00 1.21 O ATOM 1625 CB ASP A 107 -12.840 9.860 3.062 1.00 1.52 C ATOM 1626 CG ASP A 107 -13.734 9.543 4.241 1.00 1.93 C ATOM 1627 OD1 ASP A 107 -14.798 8.921 4.033 1.00 2.14 O ATOM 1628 OD2 ASP A 107 -13.364 9.888 5.382 1.00 2.60 O ATOM 0 H ASP A 107 -10.456 8.864 3.367 1.00 1.09 H new ATOM 0 HA ASP A 107 -13.009 7.812 2.404 1.00 1.17 H new ATOM 0 HB2 ASP A 107 -12.012 10.483 3.401 1.00 1.52 H new ATOM 0 HB3 ASP A 107 -13.404 10.447 2.337 1.00 1.52 H new ATOM 1633 N MET A 108 -12.363 8.064 0.015 1.00 0.98 N ATOM 1634 CA MET A 108 -12.299 8.358 -1.410 1.00 0.94 C ATOM 1635 C MET A 108 -13.353 9.393 -1.742 1.00 1.07 C ATOM 1636 O MET A 108 -13.134 10.304 -2.531 1.00 1.20 O ATOM 1637 CB MET A 108 -12.565 7.108 -2.248 1.00 0.87 C ATOM 1638 CG MET A 108 -11.668 5.931 -1.914 1.00 0.96 C ATOM 1639 SD MET A 108 -12.032 4.483 -2.925 1.00 1.72 S ATOM 1640 CE MET A 108 -13.727 4.157 -2.449 1.00 2.07 C ATOM 0 H MET A 108 -12.709 7.132 0.242 1.00 0.98 H new ATOM 0 HA MET A 108 -11.299 8.726 -1.641 1.00 0.94 H new ATOM 0 HB2 MET A 108 -13.604 6.808 -2.112 1.00 0.87 H new ATOM 0 HB3 MET A 108 -12.440 7.358 -3.302 1.00 0.87 H new ATOM 0 HG2 MET A 108 -10.627 6.219 -2.058 1.00 0.96 H new ATOM 0 HG3 MET A 108 -11.786 5.675 -0.861 1.00 0.96 H new ATOM 0 HE1 MET A 108 -13.976 3.121 -2.677 1.00 2.07 H new ATOM 0 HE2 MET A 108 -13.844 4.331 -1.379 1.00 2.07 H new ATOM 0 HE3 MET A 108 -14.394 4.820 -3.000 1.00 2.07 H new ATOM 1650 N LEU A 109 -14.510 9.223 -1.119 1.00 1.17 N ATOM 1651 CA LEU A 109 -15.641 10.113 -1.304 1.00 1.40 C ATOM 1652 C LEU A 109 -15.589 11.230 -0.272 1.00 1.71 C ATOM 1653 O LEU A 109 -16.620 11.704 0.208 1.00 2.17 O ATOM 1654 CB LEU A 109 -16.938 9.330 -1.168 1.00 1.57 C ATOM 1655 CG LEU A 109 -16.977 8.003 -1.930 1.00 1.50 C ATOM 1656 CD1 LEU A 109 -18.354 7.379 -1.825 1.00 1.89 C ATOM 1657 CD2 LEU A 109 -16.580 8.196 -3.386 1.00 1.30 C ATOM 0 H LEU A 109 -14.689 8.459 -0.468 1.00 1.17 H new ATOM 0 HA LEU A 109 -15.598 10.552 -2.301 1.00 1.40 H new ATOM 0 HB2 LEU A 109 -17.115 9.130 -0.111 1.00 1.57 H new ATOM 0 HB3 LEU A 109 -17.760 9.955 -1.516 1.00 1.57 H new ATOM 0 HG LEU A 109 -16.253 7.326 -1.476 1.00 1.50 H new ATOM 0 HD11 LEU A 109 -18.369 6.436 -2.371 1.00 1.89 H new ATOM 0 HD12 LEU A 109 -18.591 7.195 -0.777 1.00 1.89 H new ATOM 0 HD13 LEU A 109 -19.094 8.056 -2.251 1.00 1.89 H new ATOM 0 HD21 LEU A 109 -16.616 7.237 -3.903 1.00 1.30 H new ATOM 0 HD22 LEU A 109 -17.271 8.892 -3.862 1.00 1.30 H new ATOM 0 HD23 LEU A 109 -15.568 8.597 -3.437 1.00 1.30 H new