USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 694 hydrogens (29 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 56 MET CE :methyl 152:sc= -1.54 (180deg=-2.99) USER MOD Set 1.2: A 75 TYR OH : rot 15:sc= -0.0642 USER MOD Set 2.1: A 64 LYS NZ :NH3+ 176:sc= 2.9 (180deg=1.62) USER MOD Set 2.2: A 65 ASN : amide:sc= -2.68! C(o=0.22!,f=-18!) USER MOD Set 3.1: A 40 HIS : no HE2:sc= 0.565 K(o=1.8,f=-1.8!) USER MOD Set 3.2: A 43 SER OG : rot 79:sc= 1.26 USER MOD Single : A 15 ASN : amide:sc= 0.82 K(o=0.82,f=-7.5!) USER MOD Single : A 17 HIS : no HD1:sc= -1.4 K(o=-1.4,f=-0.47) USER MOD Single : A 21 TYR OH : rot 60:sc= 0.602 USER MOD Single : A 22 GLN : amide:sc= 1.16 K(o=1.2,f=-0.56) USER MOD Single : A 23 GLN : amide:sc= -0.76! C(o=-0.76!,f=-2.7!) USER MOD Single : A 30 GLN : amide:sc= 0.585 K(o=0.59,f=-1.6!) USER MOD Single : A 33 ASN : amide:sc= -0.945 K(o=-0.94,f=-0.17) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.3 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -2.98! K(o=-3!,f=-0.19) USER MOD Single : A 44 ASN : amide:sc= 0.421 K(o=0.42,f=-13!) USER MOD Single : A 47 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.58) USER MOD Single : A 60 HIS : no HD1:sc= -3.46! C(o=-3.5!,f=-3.9!) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.153 USER MOD Single : A 70 THR OG1 : rot 78:sc= 0.133 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.56 USER MOD Single : A 84 ASN : amide:sc= 0.795 X(o=0.8,f=0.39) USER MOD Single : A 85 GLN : amide:sc= 0.303 K(o=0.3,f=-0.27) USER MOD Single : A 87 MET CE :methyl -148:sc= -0.0165 (180deg=-0.764) USER MOD Single : A 89 SER OG : rot 180:sc= -0.0295 USER MOD Single : A 91 SER OG : rot 180:sc= -0.189 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 14 8.450 -1.662 1.231 1.00 40.32 N ATOM 2 CA ASP A 14 7.637 -1.314 0.073 1.00 3.00 C ATOM 3 C ASP A 14 7.064 0.048 0.238 1.00 12.15 C ATOM 4 O ASP A 14 7.083 0.595 1.341 1.00 23.05 O ATOM 5 CB ASP A 14 6.545 -2.346 -0.153 1.00 22.20 C ATOM 6 CG ASP A 14 7.144 -3.677 -0.467 1.00 70.14 C ATOM 7 OD1 ASP A 14 8.015 -4.113 0.323 1.00 41.23 O ATOM 8 OD2 ASP A 14 6.819 -4.247 -1.507 1.00 41.13 O ATOM 0 HA ASP A 14 8.275 -1.312 -0.811 1.00 3.00 H new ATOM 0 HB2 ASP A 14 5.919 -2.423 0.736 1.00 22.20 H new ATOM 0 HB3 ASP A 14 5.899 -2.028 -0.972 1.00 22.20 H new ATOM 13 N ASN A 15 6.557 0.583 -0.847 1.00 40.30 N ATOM 14 CA ASN A 15 5.982 1.914 -0.946 1.00 5.31 C ATOM 15 C ASN A 15 5.575 2.008 -2.397 1.00 10.42 C ATOM 16 O ASN A 15 5.839 1.073 -3.144 1.00 13.02 O ATOM 17 CB ASN A 15 7.045 3.006 -0.575 1.00 54.20 C ATOM 18 CG ASN A 15 6.481 4.417 -0.312 1.00 23.53 C ATOM 19 OD1 ASN A 15 5.485 4.842 -0.893 1.00 35.43 O ATOM 20 ND2 ASN A 15 7.116 5.140 0.574 1.00 45.43 N ATOM 0 H ASN A 15 6.531 0.080 -1.734 1.00 40.30 H new ATOM 0 HA ASN A 15 5.147 2.077 -0.264 1.00 5.31 H new ATOM 0 HB2 ASN A 15 7.584 2.677 0.314 1.00 54.20 H new ATOM 0 HB3 ASN A 15 7.773 3.069 -1.384 1.00 54.20 H new ATOM 0 HD21 ASN A 15 6.787 6.079 0.796 1.00 45.43 H new ATOM 0 HD22 ASN A 15 7.940 4.764 1.043 1.00 45.43 H new ATOM 27 N ARG A 16 4.993 3.094 -2.791 1.00 33.04 N ATOM 28 CA ARG A 16 4.454 3.274 -4.130 1.00 20.24 C ATOM 29 C ARG A 16 5.527 3.128 -5.215 1.00 43.22 C ATOM 30 O ARG A 16 5.362 2.373 -6.145 1.00 62.41 O ATOM 31 CB ARG A 16 3.774 4.634 -4.214 1.00 22.05 C ATOM 32 CG ARG A 16 2.684 4.814 -3.166 1.00 64.35 C ATOM 33 CD ARG A 16 2.074 6.203 -3.229 1.00 40.40 C ATOM 34 NE ARG A 16 1.038 6.406 -2.195 1.00 13.14 N ATOM 35 CZ ARG A 16 0.422 7.580 -1.932 1.00 55.41 C ATOM 36 NH1 ARG A 16 0.739 8.678 -2.632 1.00 42.43 N ATOM 37 NH2 ARG A 16 -0.507 7.648 -0.966 1.00 32.11 N ATOM 0 H ARG A 16 4.869 3.908 -2.189 1.00 33.04 H new ATOM 0 HA ARG A 16 3.724 2.486 -4.314 1.00 20.24 H new ATOM 0 HB2 ARG A 16 4.522 5.417 -4.092 1.00 22.05 H new ATOM 0 HB3 ARG A 16 3.341 4.758 -5.207 1.00 22.05 H new ATOM 0 HG2 ARG A 16 1.905 4.067 -3.318 1.00 64.35 H new ATOM 0 HG3 ARG A 16 3.101 4.643 -2.173 1.00 64.35 H new ATOM 0 HD2 ARG A 16 2.859 6.949 -3.105 1.00 40.40 H new ATOM 0 HD3 ARG A 16 1.637 6.361 -4.215 1.00 40.40 H new ATOM 0 HE ARG A 16 0.767 5.597 -1.636 1.00 13.14 H new ATOM 0 HH11 ARG A 16 1.446 8.629 -3.365 1.00 42.43 H new ATOM 0 HH12 ARG A 16 0.273 9.563 -2.432 1.00 42.43 H new ATOM 0 HH21 ARG A 16 -0.748 6.814 -0.431 1.00 32.11 H new ATOM 0 HH22 ARG A 16 -0.972 8.534 -0.767 1.00 32.11 H new ATOM 51 N HIS A 17 6.633 3.830 -5.067 1.00 62.11 N ATOM 52 CA HIS A 17 7.684 3.765 -6.063 1.00 72.14 C ATOM 53 C HIS A 17 8.612 2.589 -5.740 1.00 31.11 C ATOM 54 O HIS A 17 9.309 2.075 -6.594 1.00 2.11 O ATOM 55 CB HIS A 17 8.451 5.096 -6.159 1.00 41.40 C ATOM 56 CG HIS A 17 8.867 5.447 -7.570 1.00 0.32 C ATOM 57 ND1 HIS A 17 9.297 6.702 -7.968 1.00 61.23 N ATOM 58 CD2 HIS A 17 8.873 4.684 -8.695 1.00 2.55 C ATOM 59 CE1 HIS A 17 9.536 6.656 -9.287 1.00 45.45 C ATOM 60 NE2 HIS A 17 9.296 5.454 -9.771 1.00 13.35 N ATOM 0 H HIS A 17 6.826 4.445 -4.277 1.00 62.11 H new ATOM 0 HA HIS A 17 7.239 3.598 -7.044 1.00 72.14 H new ATOM 0 HB2 HIS A 17 7.827 5.896 -5.762 1.00 41.40 H new ATOM 0 HB3 HIS A 17 9.339 5.042 -5.529 1.00 41.40 H new ATOM 0 HD2 HIS A 17 8.593 3.642 -8.744 1.00 2.55 H new ATOM 0 HE1 HIS A 17 9.880 7.494 -9.875 1.00 45.45 H new ATOM 0 HE2 HIS A 17 9.400 5.151 -10.739 1.00 13.35 H new ATOM 68 N ALA A 18 8.569 2.158 -4.477 1.00 54.01 N ATOM 69 CA ALA A 18 9.341 1.009 -3.995 1.00 44.14 C ATOM 70 C ALA A 18 8.827 -0.274 -4.591 1.00 41.21 C ATOM 71 O ALA A 18 9.455 -1.299 -4.475 1.00 60.25 O ATOM 72 CB ALA A 18 9.411 0.938 -2.495 1.00 60.03 C ATOM 0 H ALA A 18 7.996 2.597 -3.757 1.00 54.01 H new ATOM 0 HA ALA A 18 10.366 1.153 -4.336 1.00 44.14 H new ATOM 0 HB1 ALA A 18 9.995 0.067 -2.199 1.00 60.03 H new ATOM 0 HB2 ALA A 18 9.885 1.841 -2.110 1.00 60.03 H new ATOM 0 HB3 ALA A 18 8.404 0.855 -2.087 1.00 60.03 H new ATOM 78 N ALA A 19 7.627 -0.211 -5.186 1.00 13.31 N ATOM 79 CA ALA A 19 7.047 -1.315 -5.960 1.00 24.53 C ATOM 80 C ALA A 19 8.035 -1.779 -7.051 1.00 61.40 C ATOM 81 O ALA A 19 7.919 -2.869 -7.599 1.00 43.51 O ATOM 82 CB ALA A 19 5.727 -0.892 -6.585 1.00 11.24 C ATOM 0 H ALA A 19 7.029 0.614 -5.143 1.00 13.31 H new ATOM 0 HA ALA A 19 6.856 -2.149 -5.285 1.00 24.53 H new ATOM 0 HB1 ALA A 19 5.311 -1.723 -7.155 1.00 11.24 H new ATOM 0 HB2 ALA A 19 5.028 -0.605 -5.799 1.00 11.24 H new ATOM 0 HB3 ALA A 19 5.894 -0.044 -7.249 1.00 11.24 H new ATOM 88 N ASP A 20 8.991 -0.912 -7.371 1.00 33.40 N ATOM 89 CA ASP A 20 10.088 -1.235 -8.288 1.00 44.52 C ATOM 90 C ASP A 20 10.859 -2.480 -7.748 1.00 45.30 C ATOM 91 O ASP A 20 11.305 -3.311 -8.511 1.00 74.35 O ATOM 92 CB ASP A 20 10.995 -0.008 -8.420 1.00 30.43 C ATOM 93 CG ASP A 20 11.938 -0.013 -9.614 1.00 11.22 C ATOM 94 OD1 ASP A 20 11.459 -0.031 -10.776 1.00 51.44 O ATOM 95 OD2 ASP A 20 13.145 0.109 -9.421 1.00 45.14 O ATOM 0 H ASP A 20 9.030 0.038 -7.002 1.00 33.40 H new ATOM 0 HA ASP A 20 9.710 -1.486 -9.279 1.00 44.52 H new ATOM 0 HB2 ASP A 20 10.367 0.881 -8.479 1.00 30.43 H new ATOM 0 HB3 ASP A 20 11.589 0.082 -7.511 1.00 30.43 H new ATOM 100 N TYR A 21 10.913 -2.630 -6.402 1.00 0.15 N ATOM 101 CA TYR A 21 11.475 -3.835 -5.721 1.00 55.32 C ATOM 102 C TYR A 21 10.693 -5.086 -6.118 1.00 2.35 C ATOM 103 O TYR A 21 11.260 -6.183 -6.279 1.00 62.04 O ATOM 104 CB TYR A 21 11.425 -3.660 -4.158 1.00 32.11 C ATOM 105 CG TYR A 21 11.192 -4.966 -3.398 1.00 54.33 C ATOM 106 CD1 TYR A 21 12.205 -5.891 -3.214 1.00 52.52 C ATOM 107 CD2 TYR A 21 9.916 -5.293 -2.934 1.00 5.52 C ATOM 108 CE1 TYR A 21 11.955 -7.100 -2.600 1.00 75.12 C ATOM 109 CE2 TYR A 21 9.668 -6.492 -2.305 1.00 2.20 C ATOM 110 CZ TYR A 21 10.686 -7.397 -2.141 1.00 12.12 C ATOM 111 OH TYR A 21 10.424 -8.628 -1.566 1.00 20.43 O ATOM 0 H TYR A 21 10.570 -1.922 -5.753 1.00 0.15 H new ATOM 0 HA TYR A 21 12.513 -3.947 -6.034 1.00 55.32 H new ATOM 0 HB2 TYR A 21 12.362 -3.217 -3.821 1.00 32.11 H new ATOM 0 HB3 TYR A 21 10.631 -2.957 -3.906 1.00 32.11 H new ATOM 0 HD1 TYR A 21 13.204 -5.663 -3.556 1.00 52.52 H new ATOM 0 HD2 TYR A 21 9.107 -4.591 -3.072 1.00 5.52 H new ATOM 0 HE1 TYR A 21 12.753 -7.817 -2.477 1.00 75.12 H new ATOM 0 HE2 TYR A 21 8.676 -6.719 -1.942 1.00 2.20 H new ATOM 0 HH TYR A 21 10.996 -8.750 -0.780 1.00 20.43 H new ATOM 121 N GLN A 22 9.412 -4.922 -6.282 1.00 3.34 N ATOM 122 CA GLN A 22 8.545 -6.041 -6.597 1.00 32.13 C ATOM 123 C GLN A 22 8.836 -6.504 -8.019 1.00 2.12 C ATOM 124 O GLN A 22 8.787 -7.694 -8.325 1.00 20.14 O ATOM 125 CB GLN A 22 7.082 -5.650 -6.398 1.00 70.23 C ATOM 126 CG GLN A 22 6.834 -5.007 -5.032 1.00 21.23 C ATOM 127 CD GLN A 22 5.394 -4.615 -4.791 1.00 70.13 C ATOM 128 OE1 GLN A 22 4.649 -4.334 -5.722 1.00 11.04 O ATOM 129 NE2 GLN A 22 5.022 -4.508 -3.546 1.00 33.12 N ATOM 0 H GLN A 22 8.935 -4.024 -6.204 1.00 3.34 H new ATOM 0 HA GLN A 22 8.740 -6.875 -5.922 1.00 32.13 H new ATOM 0 HB2 GLN A 22 6.784 -4.956 -7.184 1.00 70.23 H new ATOM 0 HB3 GLN A 22 6.454 -6.535 -6.500 1.00 70.23 H new ATOM 0 HG2 GLN A 22 7.146 -5.702 -4.252 1.00 21.23 H new ATOM 0 HG3 GLN A 22 7.462 -4.121 -4.939 1.00 21.23 H new ATOM 0 HE21 GLN A 22 5.670 -4.751 -2.797 1.00 33.12 H new ATOM 0 HE22 GLN A 22 4.082 -4.181 -3.321 1.00 33.12 H new ATOM 138 N GLN A 23 9.208 -5.548 -8.862 1.00 42.25 N ATOM 139 CA GLN A 23 9.635 -5.841 -10.215 1.00 41.12 C ATOM 140 C GLN A 23 11.028 -6.460 -10.183 1.00 13.12 C ATOM 141 O GLN A 23 11.301 -7.423 -10.883 1.00 12.32 O ATOM 142 CB GLN A 23 9.688 -4.581 -11.066 1.00 0.34 C ATOM 143 CG GLN A 23 8.368 -3.898 -11.328 1.00 41.12 C ATOM 144 CD GLN A 23 8.544 -2.765 -12.318 1.00 2.25 C ATOM 145 OE1 GLN A 23 8.441 -2.968 -13.531 1.00 45.00 O ATOM 146 NE2 GLN A 23 8.846 -1.593 -11.833 1.00 13.12 N ATOM 0 H GLN A 23 9.221 -4.556 -8.624 1.00 42.25 H new ATOM 0 HA GLN A 23 8.913 -6.531 -10.652 1.00 41.12 H new ATOM 0 HB2 GLN A 23 10.353 -3.867 -10.580 1.00 0.34 H new ATOM 0 HB3 GLN A 23 10.139 -4.834 -12.025 1.00 0.34 H new ATOM 0 HG2 GLN A 23 7.649 -4.620 -11.716 1.00 41.12 H new ATOM 0 HG3 GLN A 23 7.960 -3.512 -10.394 1.00 41.12 H new ATOM 0 HE21 GLN A 23 8.922 -1.463 -10.824 1.00 13.12 H new ATOM 0 HE22 GLN A 23 9.006 -0.806 -12.462 1.00 13.12 H new ATOM 155 N LEU A 24 11.895 -5.871 -9.352 1.00 74.14 N ATOM 156 CA LEU A 24 13.288 -6.303 -9.127 1.00 52.35 C ATOM 157 C LEU A 24 13.360 -7.800 -8.993 1.00 13.01 C ATOM 158 O LEU A 24 13.999 -8.458 -9.804 1.00 23.33 O ATOM 159 CB LEU A 24 13.804 -5.647 -7.823 1.00 64.51 C ATOM 160 CG LEU A 24 15.225 -5.970 -7.361 1.00 5.51 C ATOM 161 CD1 LEU A 24 16.243 -5.540 -8.383 1.00 51.23 C ATOM 162 CD2 LEU A 24 15.499 -5.302 -6.030 1.00 42.34 C ATOM 0 H LEU A 24 11.643 -5.053 -8.797 1.00 74.14 H new ATOM 0 HA LEU A 24 13.901 -6.000 -9.976 1.00 52.35 H new ATOM 0 HB2 LEU A 24 13.732 -4.566 -7.944 1.00 64.51 H new ATOM 0 HB3 LEU A 24 13.122 -5.924 -7.019 1.00 64.51 H new ATOM 0 HG LEU A 24 15.308 -7.050 -7.243 1.00 5.51 H new ATOM 0 HD11 LEU A 24 17.243 -5.783 -8.025 1.00 51.23 H new ATOM 0 HD12 LEU A 24 16.057 -6.060 -9.323 1.00 51.23 H new ATOM 0 HD13 LEU A 24 16.167 -4.464 -8.543 1.00 51.23 H new ATOM 0 HD21 LEU A 24 16.513 -5.537 -5.707 1.00 42.34 H new ATOM 0 HD22 LEU A 24 15.393 -4.222 -6.136 1.00 42.34 H new ATOM 0 HD23 LEU A 24 14.789 -5.665 -5.287 1.00 42.34 H new ATOM 174 N ARG A 25 12.630 -8.321 -8.017 1.00 55.43 N ATOM 175 CA ARG A 25 12.615 -9.709 -7.678 1.00 41.31 C ATOM 176 C ARG A 25 12.344 -10.595 -8.909 1.00 21.23 C ATOM 177 O ARG A 25 12.995 -11.612 -9.094 1.00 43.44 O ATOM 178 CB ARG A 25 11.552 -9.918 -6.616 1.00 55.01 C ATOM 179 CG ARG A 25 11.677 -11.210 -5.885 1.00 42.43 C ATOM 180 CD ARG A 25 10.644 -11.310 -4.781 1.00 22.21 C ATOM 181 NE ARG A 25 10.846 -12.480 -3.914 1.00 0.14 N ATOM 182 CZ ARG A 25 10.685 -12.453 -2.576 1.00 11.42 C ATOM 183 NH1 ARG A 25 10.267 -11.355 -1.971 1.00 22.12 N ATOM 184 NH2 ARG A 25 10.943 -13.523 -1.838 1.00 2.51 N ATOM 0 H ARG A 25 12.016 -7.757 -7.429 1.00 55.43 H new ATOM 0 HA ARG A 25 13.594 -10.001 -7.298 1.00 41.31 H new ATOM 0 HB2 ARG A 25 11.603 -9.099 -5.898 1.00 55.01 H new ATOM 0 HB3 ARG A 25 10.569 -9.870 -7.085 1.00 55.01 H new ATOM 0 HG2 ARG A 25 11.552 -12.040 -6.581 1.00 42.43 H new ATOM 0 HG3 ARG A 25 12.677 -11.297 -5.461 1.00 42.43 H new ATOM 0 HD2 ARG A 25 10.678 -10.405 -4.175 1.00 22.21 H new ATOM 0 HD3 ARG A 25 9.649 -11.360 -5.224 1.00 22.21 H new ATOM 0 HE ARG A 25 11.123 -13.360 -4.349 1.00 0.14 H new ATOM 0 HH11 ARG A 25 10.063 -10.518 -2.517 1.00 22.12 H new ATOM 0 HH12 ARG A 25 10.148 -11.345 -0.958 1.00 22.12 H new ATOM 0 HH21 ARG A 25 11.268 -14.382 -2.281 1.00 2.51 H new ATOM 0 HH22 ARG A 25 10.816 -13.487 -0.827 1.00 2.51 H new ATOM 198 N GLU A 26 11.423 -10.165 -9.750 1.00 31.20 N ATOM 199 CA GLU A 26 11.057 -10.863 -10.942 1.00 5.32 C ATOM 200 C GLU A 26 12.230 -10.912 -11.945 1.00 35.21 C ATOM 201 O GLU A 26 12.534 -11.968 -12.498 1.00 24.35 O ATOM 202 CB GLU A 26 9.802 -10.187 -11.510 1.00 43.35 C ATOM 203 CG GLU A 26 9.304 -10.733 -12.814 1.00 4.43 C ATOM 204 CD GLU A 26 9.615 -9.814 -13.972 1.00 21.51 C ATOM 205 OE1 GLU A 26 10.792 -9.701 -14.356 1.00 34.34 O ATOM 206 OE2 GLU A 26 8.700 -9.144 -14.481 1.00 75.12 O ATOM 0 H GLU A 26 10.903 -9.299 -9.609 1.00 31.20 H new ATOM 0 HA GLU A 26 10.827 -11.906 -10.726 1.00 5.32 H new ATOM 0 HB2 GLU A 26 9.003 -10.269 -10.774 1.00 43.35 H new ATOM 0 HB3 GLU A 26 10.010 -9.125 -11.638 1.00 43.35 H new ATOM 0 HG2 GLU A 26 9.756 -11.708 -12.994 1.00 4.43 H new ATOM 0 HG3 GLU A 26 8.227 -10.888 -12.754 1.00 4.43 H new ATOM 213 N ARG A 27 12.928 -9.788 -12.118 1.00 11.01 N ATOM 214 CA ARG A 27 14.052 -9.737 -13.061 1.00 43.23 C ATOM 215 C ARG A 27 15.210 -10.596 -12.651 1.00 73.24 C ATOM 216 O ARG A 27 15.846 -11.218 -13.495 1.00 73.11 O ATOM 217 CB ARG A 27 14.514 -8.333 -13.407 1.00 3.20 C ATOM 218 CG ARG A 27 13.567 -7.630 -14.328 1.00 31.11 C ATOM 219 CD ARG A 27 12.508 -6.836 -13.598 1.00 2.21 C ATOM 220 NE ARG A 27 11.177 -7.064 -14.157 1.00 52.10 N ATOM 221 CZ ARG A 27 10.217 -6.155 -14.327 1.00 61.32 C ATOM 222 NH1 ARG A 27 10.481 -4.848 -14.198 1.00 43.34 N ATOM 223 NH2 ARG A 27 8.994 -6.553 -14.638 1.00 14.40 N ATOM 0 H ARG A 27 12.741 -8.913 -11.628 1.00 11.01 H new ATOM 0 HA ARG A 27 13.638 -10.159 -13.977 1.00 43.23 H new ATOM 0 HB2 ARG A 27 14.622 -7.753 -12.490 1.00 3.20 H new ATOM 0 HB3 ARG A 27 15.499 -8.382 -13.872 1.00 3.20 H new ATOM 0 HG2 ARG A 27 14.131 -6.961 -14.977 1.00 31.11 H new ATOM 0 HG3 ARG A 27 13.083 -8.365 -14.971 1.00 31.11 H new ATOM 0 HD2 ARG A 27 12.511 -7.110 -12.543 1.00 2.21 H new ATOM 0 HD3 ARG A 27 12.748 -5.774 -13.652 1.00 2.21 H new ATOM 0 HE ARG A 27 10.960 -8.018 -14.447 1.00 52.10 H new ATOM 0 HH11 ARG A 27 11.425 -4.539 -13.967 1.00 43.34 H new ATOM 0 HH12 ARG A 27 9.738 -4.162 -14.331 1.00 43.34 H new ATOM 0 HH21 ARG A 27 8.793 -7.547 -14.745 1.00 14.40 H new ATOM 0 HH22 ARG A 27 8.252 -5.866 -14.770 1.00 14.40 H new ATOM 237 N LEU A 28 15.483 -10.641 -11.365 1.00 45.35 N ATOM 238 CA LEU A 28 16.532 -11.545 -10.854 1.00 50.14 C ATOM 239 C LEU A 28 16.200 -12.974 -11.209 1.00 52.21 C ATOM 240 O LEU A 28 17.052 -13.721 -11.630 1.00 20.44 O ATOM 241 CB LEU A 28 16.763 -11.447 -9.329 1.00 31.33 C ATOM 242 CG LEU A 28 17.541 -10.236 -8.801 1.00 31.41 C ATOM 243 CD1 LEU A 28 16.767 -8.979 -8.973 1.00 60.13 C ATOM 244 CD2 LEU A 28 17.930 -10.438 -7.349 1.00 75.44 C ATOM 0 H LEU A 28 15.013 -10.081 -10.654 1.00 45.35 H new ATOM 0 HA LEU A 28 17.457 -11.224 -11.334 1.00 50.14 H new ATOM 0 HB2 LEU A 28 15.788 -11.458 -8.841 1.00 31.33 H new ATOM 0 HB3 LEU A 28 17.289 -12.347 -9.011 1.00 31.33 H new ATOM 0 HG LEU A 28 18.454 -10.145 -9.389 1.00 31.41 H new ATOM 0 HD11 LEU A 28 17.346 -8.139 -8.589 1.00 60.13 H new ATOM 0 HD12 LEU A 28 16.559 -8.822 -10.031 1.00 60.13 H new ATOM 0 HD13 LEU A 28 15.827 -9.052 -8.425 1.00 60.13 H new ATOM 0 HD21 LEU A 28 18.481 -9.567 -6.995 1.00 75.44 H new ATOM 0 HD22 LEU A 28 17.031 -10.568 -6.746 1.00 75.44 H new ATOM 0 HD23 LEU A 28 18.558 -11.325 -7.260 1.00 75.44 H new ATOM 256 N ILE A 29 14.935 -13.308 -11.099 1.00 22.43 N ATOM 257 CA ILE A 29 14.426 -14.649 -11.378 1.00 44.21 C ATOM 258 C ILE A 29 14.722 -15.101 -12.789 1.00 44.22 C ATOM 259 O ILE A 29 14.997 -16.279 -13.026 1.00 12.03 O ATOM 260 CB ILE A 29 12.904 -14.741 -11.012 1.00 31.21 C ATOM 261 CG1 ILE A 29 12.739 -15.314 -9.632 1.00 54.21 C ATOM 262 CG2 ILE A 29 12.052 -15.511 -12.016 1.00 55.12 C ATOM 263 CD1 ILE A 29 13.531 -14.617 -8.583 1.00 40.34 C ATOM 0 H ILE A 29 14.211 -12.651 -10.809 1.00 22.43 H new ATOM 0 HA ILE A 29 14.961 -15.351 -10.739 1.00 44.21 H new ATOM 0 HB ILE A 29 12.530 -13.718 -11.045 1.00 31.21 H new ATOM 0 HG12 ILE A 29 11.684 -15.277 -9.359 1.00 54.21 H new ATOM 0 HG13 ILE A 29 13.027 -16.365 -9.650 1.00 54.21 H new ATOM 0 HG21 ILE A 29 11.015 -15.522 -11.680 1.00 55.12 H new ATOM 0 HG22 ILE A 29 12.112 -15.027 -12.991 1.00 55.12 H new ATOM 0 HG23 ILE A 29 12.419 -16.534 -12.095 1.00 55.12 H new ATOM 0 HD11 ILE A 29 13.355 -15.092 -7.618 1.00 40.34 H new ATOM 0 HD12 ILE A 29 14.591 -14.676 -8.828 1.00 40.34 H new ATOM 0 HD13 ILE A 29 13.228 -13.571 -8.533 1.00 40.34 H new ATOM 275 N GLN A 30 14.745 -14.163 -13.689 1.00 51.30 N ATOM 276 CA GLN A 30 15.013 -14.445 -15.070 1.00 21.42 C ATOM 277 C GLN A 30 16.453 -14.911 -15.236 1.00 51.50 C ATOM 278 O GLN A 30 16.731 -15.860 -15.959 1.00 41.10 O ATOM 279 CB GLN A 30 14.795 -13.204 -15.900 1.00 73.41 C ATOM 280 CG GLN A 30 13.464 -12.510 -15.653 1.00 34.31 C ATOM 281 CD GLN A 30 13.230 -11.382 -16.647 1.00 1.05 C ATOM 282 OE1 GLN A 30 13.731 -11.417 -17.765 1.00 12.04 O ATOM 283 NE2 GLN A 30 12.439 -10.415 -16.293 1.00 10.30 N ATOM 0 H GLN A 30 14.578 -13.177 -13.486 1.00 51.30 H new ATOM 0 HA GLN A 30 14.336 -15.231 -15.404 1.00 21.42 H new ATOM 0 HB2 GLN A 30 15.602 -12.499 -15.697 1.00 73.41 H new ATOM 0 HB3 GLN A 30 14.862 -13.470 -16.955 1.00 73.41 H new ATOM 0 HG2 GLN A 30 12.655 -13.236 -15.728 1.00 34.31 H new ATOM 0 HG3 GLN A 30 13.443 -12.112 -14.638 1.00 34.31 H new ATOM 0 HE21 GLN A 30 12.033 -10.405 -15.358 1.00 10.30 H new ATOM 0 HE22 GLN A 30 12.224 -9.665 -16.950 1.00 10.30 H new ATOM 292 N GLU A 31 17.350 -14.258 -14.524 1.00 22.34 N ATOM 293 CA GLU A 31 18.771 -14.550 -14.626 1.00 41.50 C ATOM 294 C GLU A 31 19.171 -15.698 -13.707 1.00 75.00 C ATOM 295 O GLU A 31 20.110 -16.433 -13.994 1.00 71.22 O ATOM 296 CB GLU A 31 19.595 -13.300 -14.307 1.00 65.14 C ATOM 297 CG GLU A 31 19.141 -12.090 -15.093 1.00 53.22 C ATOM 298 CD GLU A 31 20.047 -10.897 -14.961 1.00 34.43 C ATOM 299 OE1 GLU A 31 21.005 -10.759 -15.771 1.00 20.45 O ATOM 300 OE2 GLU A 31 19.831 -10.058 -14.083 1.00 44.11 O ATOM 0 H GLU A 31 17.120 -13.516 -13.863 1.00 22.34 H new ATOM 0 HA GLU A 31 18.976 -14.857 -15.651 1.00 41.50 H new ATOM 0 HB2 GLU A 31 19.524 -13.084 -13.241 1.00 65.14 H new ATOM 0 HB3 GLU A 31 20.645 -13.496 -14.523 1.00 65.14 H new ATOM 0 HG2 GLU A 31 19.066 -12.361 -16.146 1.00 53.22 H new ATOM 0 HG3 GLU A 31 18.140 -11.811 -14.764 1.00 53.22 H new ATOM 307 N LEU A 32 18.456 -15.845 -12.602 1.00 61.02 N ATOM 308 CA LEU A 32 18.747 -16.881 -11.644 1.00 41.11 C ATOM 309 C LEU A 32 18.133 -18.211 -12.064 1.00 30.24 C ATOM 310 O LEU A 32 18.508 -19.260 -11.555 1.00 14.23 O ATOM 311 CB LEU A 32 18.250 -16.476 -10.259 1.00 21.32 C ATOM 312 CG LEU A 32 18.794 -15.157 -9.725 1.00 31.21 C ATOM 313 CD1 LEU A 32 18.312 -14.883 -8.313 1.00 51.53 C ATOM 314 CD2 LEU A 32 20.309 -15.077 -9.823 1.00 65.51 C ATOM 0 H LEU A 32 17.665 -15.251 -12.352 1.00 61.02 H new ATOM 0 HA LEU A 32 19.829 -17.011 -11.606 1.00 41.11 H new ATOM 0 HB2 LEU A 32 17.162 -16.415 -10.286 1.00 21.32 H new ATOM 0 HB3 LEU A 32 18.508 -17.267 -9.554 1.00 21.32 H new ATOM 0 HG LEU A 32 18.394 -14.371 -10.366 1.00 31.21 H new ATOM 0 HD11 LEU A 32 18.721 -13.934 -7.967 1.00 51.53 H new ATOM 0 HD12 LEU A 32 17.223 -14.834 -8.303 1.00 51.53 H new ATOM 0 HD13 LEU A 32 18.645 -15.684 -7.653 1.00 51.53 H new ATOM 0 HD21 LEU A 32 20.649 -14.119 -9.430 1.00 65.51 H new ATOM 0 HD22 LEU A 32 20.754 -15.885 -9.243 1.00 65.51 H new ATOM 0 HD23 LEU A 32 20.612 -15.169 -10.866 1.00 65.51 H new ATOM 326 N ASN A 33 17.147 -18.122 -12.965 1.00 22.53 N ATOM 327 CA ASN A 33 16.452 -19.275 -13.584 1.00 13.42 C ATOM 328 C ASN A 33 15.629 -20.062 -12.532 1.00 62.12 C ATOM 329 O ASN A 33 15.236 -21.208 -12.732 1.00 30.03 O ATOM 330 CB ASN A 33 17.466 -20.191 -14.334 1.00 22.51 C ATOM 331 CG ASN A 33 16.821 -21.263 -15.227 1.00 60.44 C ATOM 332 OD1 ASN A 33 17.364 -22.347 -15.406 1.00 25.43 O ATOM 333 ND2 ASN A 33 15.689 -20.954 -15.830 1.00 12.34 N ATOM 0 H ASN A 33 16.795 -17.224 -13.298 1.00 22.53 H new ATOM 0 HA ASN A 33 15.746 -18.895 -14.322 1.00 13.42 H new ATOM 0 HB2 ASN A 33 18.114 -19.566 -14.949 1.00 22.51 H new ATOM 0 HB3 ASN A 33 18.103 -20.684 -13.599 1.00 22.51 H new ATOM 0 HD21 ASN A 33 15.248 -21.624 -16.460 1.00 12.34 H new ATOM 0 HD22 ASN A 33 15.255 -20.046 -15.666 1.00 12.34 H new ATOM 340 N LEU A 34 15.307 -19.398 -11.454 1.00 73.42 N ATOM 341 CA LEU A 34 14.552 -19.998 -10.384 1.00 64.12 C ATOM 342 C LEU A 34 13.239 -19.259 -10.164 1.00 74.21 C ATOM 343 O LEU A 34 12.977 -18.286 -10.844 1.00 31.20 O ATOM 344 CB LEU A 34 15.415 -20.148 -9.107 1.00 40.11 C ATOM 345 CG LEU A 34 16.240 -18.938 -8.631 1.00 63.50 C ATOM 346 CD1 LEU A 34 15.369 -17.793 -8.176 1.00 32.41 C ATOM 347 CD2 LEU A 34 17.181 -19.358 -7.530 1.00 21.20 C ATOM 0 H LEU A 34 15.561 -18.424 -11.292 1.00 73.42 H new ATOM 0 HA LEU A 34 14.276 -21.013 -10.669 1.00 64.12 H new ATOM 0 HB2 LEU A 34 14.753 -20.439 -8.292 1.00 40.11 H new ATOM 0 HB3 LEU A 34 16.105 -20.976 -9.268 1.00 40.11 H new ATOM 0 HG LEU A 34 16.817 -18.578 -9.483 1.00 63.50 H new ATOM 0 HD11 LEU A 34 15.998 -16.965 -7.850 1.00 32.41 H new ATOM 0 HD12 LEU A 34 14.737 -17.466 -9.002 1.00 32.41 H new ATOM 0 HD13 LEU A 34 14.742 -18.120 -7.347 1.00 32.41 H new ATOM 0 HD21 LEU A 34 17.761 -18.497 -7.199 1.00 21.20 H new ATOM 0 HD22 LEU A 34 16.607 -19.753 -6.692 1.00 21.20 H new ATOM 0 HD23 LEU A 34 17.856 -20.128 -7.903 1.00 21.20 H new ATOM 359 N THR A 35 12.418 -19.710 -9.242 1.00 63.04 N ATOM 360 CA THR A 35 11.153 -19.060 -9.008 1.00 64.52 C ATOM 361 C THR A 35 11.332 -17.955 -7.955 1.00 64.45 C ATOM 362 O THR A 35 12.280 -18.009 -7.176 1.00 63.13 O ATOM 363 CB THR A 35 10.071 -20.090 -8.580 1.00 1.55 C ATOM 364 OG1 THR A 35 10.538 -20.858 -7.476 1.00 1.30 O ATOM 365 CG2 THR A 35 9.721 -21.019 -9.734 1.00 11.01 C ATOM 0 H THR A 35 12.603 -20.518 -8.648 1.00 63.04 H new ATOM 0 HA THR A 35 10.807 -18.602 -9.935 1.00 64.52 H new ATOM 0 HB THR A 35 9.175 -19.541 -8.289 1.00 1.55 H new ATOM 0 HG1 THR A 35 9.849 -21.503 -7.212 1.00 1.30 H new ATOM 0 HG21 THR A 35 8.962 -21.731 -9.410 1.00 11.01 H new ATOM 0 HG22 THR A 35 9.337 -20.433 -10.569 1.00 11.01 H new ATOM 0 HG23 THR A 35 10.614 -21.559 -10.050 1.00 11.01 H new ATOM 373 N PRO A 36 10.434 -16.929 -7.911 1.00 14.50 N ATOM 374 CA PRO A 36 10.564 -15.765 -6.990 1.00 54.21 C ATOM 375 C PRO A 36 10.713 -16.124 -5.496 1.00 64.01 C ATOM 376 O PRO A 36 11.144 -15.293 -4.688 1.00 0.14 O ATOM 377 CB PRO A 36 9.267 -14.966 -7.221 1.00 21.55 C ATOM 378 CG PRO A 36 8.364 -15.885 -7.978 1.00 13.12 C ATOM 379 CD PRO A 36 9.259 -16.773 -8.787 1.00 13.14 C ATOM 0 HA PRO A 36 11.482 -15.219 -7.210 1.00 54.21 H new ATOM 0 HB2 PRO A 36 8.817 -14.665 -6.275 1.00 21.55 H new ATOM 0 HB3 PRO A 36 9.462 -14.054 -7.786 1.00 21.55 H new ATOM 0 HG2 PRO A 36 7.745 -16.471 -7.298 1.00 13.12 H new ATOM 0 HG3 PRO A 36 7.687 -15.323 -8.622 1.00 13.12 H new ATOM 0 HD2 PRO A 36 8.788 -17.731 -9.008 1.00 13.14 H new ATOM 0 HD3 PRO A 36 9.523 -16.320 -9.743 1.00 13.14 H new ATOM 387 N GLN A 37 10.357 -17.342 -5.150 1.00 31.10 N ATOM 388 CA GLN A 37 10.417 -17.816 -3.778 1.00 1.44 C ATOM 389 C GLN A 37 11.684 -18.635 -3.527 1.00 51.42 C ATOM 390 O GLN A 37 11.932 -19.072 -2.421 1.00 62.23 O ATOM 391 CB GLN A 37 9.178 -18.645 -3.436 1.00 21.33 C ATOM 392 CG GLN A 37 7.867 -17.888 -3.582 1.00 3.21 C ATOM 393 CD GLN A 37 6.670 -18.714 -3.163 1.00 13.32 C ATOM 394 OE1 GLN A 37 6.267 -18.696 -2.018 1.00 54.21 O ATOM 395 NE2 GLN A 37 6.098 -19.445 -4.087 1.00 2.41 N ATOM 0 H GLN A 37 10.016 -18.037 -5.813 1.00 31.10 H new ATOM 0 HA GLN A 37 10.444 -16.940 -3.129 1.00 1.44 H new ATOM 0 HB2 GLN A 37 9.152 -19.523 -4.081 1.00 21.33 H new ATOM 0 HB3 GLN A 37 9.266 -19.005 -2.411 1.00 21.33 H new ATOM 0 HG2 GLN A 37 7.907 -16.980 -2.980 1.00 3.21 H new ATOM 0 HG3 GLN A 37 7.744 -17.577 -4.620 1.00 3.21 H new ATOM 0 HE21 GLN A 37 6.461 -19.438 -5.040 1.00 2.41 H new ATOM 0 HE22 GLN A 37 5.289 -20.021 -3.853 1.00 2.41 H new ATOM 404 N GLN A 38 12.475 -18.857 -4.567 1.00 21.42 N ATOM 405 CA GLN A 38 13.697 -19.635 -4.420 1.00 64.32 C ATOM 406 C GLN A 38 14.892 -18.751 -4.156 1.00 14.10 C ATOM 407 O GLN A 38 15.995 -19.243 -3.952 1.00 20.45 O ATOM 408 CB GLN A 38 13.952 -20.533 -5.632 1.00 52.44 C ATOM 409 CG GLN A 38 12.978 -21.694 -5.792 1.00 61.33 C ATOM 410 CD GLN A 38 13.222 -22.893 -4.863 1.00 5.50 C ATOM 411 OE1 GLN A 38 12.903 -24.013 -5.220 1.00 23.22 O ATOM 412 NE2 GLN A 38 13.803 -22.688 -3.704 1.00 20.31 N ATOM 0 H GLN A 38 12.296 -18.514 -5.511 1.00 21.42 H new ATOM 0 HA GLN A 38 13.553 -20.279 -3.552 1.00 64.32 H new ATOM 0 HB2 GLN A 38 13.914 -19.921 -6.533 1.00 52.44 H new ATOM 0 HB3 GLN A 38 14.963 -20.934 -5.561 1.00 52.44 H new ATOM 0 HG2 GLN A 38 11.967 -21.324 -5.621 1.00 61.33 H new ATOM 0 HG3 GLN A 38 13.020 -22.042 -6.824 1.00 61.33 H new ATOM 0 HE21 GLN A 38 14.062 -21.742 -3.424 1.00 20.31 H new ATOM 0 HE22 GLN A 38 13.995 -23.475 -3.084 1.00 20.31 H new ATOM 421 N LEU A 39 14.686 -17.460 -4.174 1.00 63.14 N ATOM 422 CA LEU A 39 15.753 -16.574 -3.845 1.00 5.43 C ATOM 423 C LEU A 39 15.482 -16.096 -2.443 1.00 41.22 C ATOM 424 O LEU A 39 14.313 -15.967 -2.047 1.00 25.22 O ATOM 425 CB LEU A 39 15.887 -15.374 -4.865 1.00 62.12 C ATOM 426 CG LEU A 39 15.066 -14.062 -4.642 1.00 52.01 C ATOM 427 CD1 LEU A 39 15.643 -13.218 -3.497 1.00 74.35 C ATOM 428 CD2 LEU A 39 15.082 -13.225 -5.896 1.00 10.31 C ATOM 0 H LEU A 39 13.801 -17.011 -4.410 1.00 63.14 H new ATOM 0 HA LEU A 39 16.711 -17.091 -3.907 1.00 5.43 H new ATOM 0 HB2 LEU A 39 16.940 -15.095 -4.901 1.00 62.12 H new ATOM 0 HB3 LEU A 39 15.625 -15.756 -5.851 1.00 62.12 H new ATOM 0 HG LEU A 39 14.049 -14.359 -4.387 1.00 52.01 H new ATOM 0 HD11 LEU A 39 15.045 -12.315 -3.373 1.00 74.35 H new ATOM 0 HD12 LEU A 39 15.623 -13.796 -2.573 1.00 74.35 H new ATOM 0 HD13 LEU A 39 16.672 -12.943 -3.730 1.00 74.35 H new ATOM 0 HD21 LEU A 39 14.508 -12.313 -5.732 1.00 10.31 H new ATOM 0 HD22 LEU A 39 16.110 -12.966 -6.148 1.00 10.31 H new ATOM 0 HD23 LEU A 39 14.639 -13.790 -6.716 1.00 10.31 H new ATOM 440 N HIS A 40 16.509 -15.828 -1.716 1.00 62.25 N ATOM 441 CA HIS A 40 16.361 -15.330 -0.381 1.00 0.32 C ATOM 442 C HIS A 40 16.442 -13.826 -0.345 1.00 24.01 C ATOM 443 O HIS A 40 17.439 -13.241 -0.756 1.00 52.40 O ATOM 444 CB HIS A 40 17.401 -15.897 0.517 1.00 43.52 C ATOM 445 CG HIS A 40 17.164 -17.316 0.938 1.00 54.41 C ATOM 446 ND1 HIS A 40 16.650 -17.657 2.168 1.00 74.02 N ATOM 447 CD2 HIS A 40 17.396 -18.484 0.292 1.00 73.03 C ATOM 448 CE1 HIS A 40 16.587 -18.983 2.238 1.00 73.15 C ATOM 449 NE2 HIS A 40 17.029 -19.543 1.121 1.00 63.12 N ATOM 0 H HIS A 40 17.475 -15.945 -2.022 1.00 62.25 H new ATOM 0 HA HIS A 40 15.376 -15.639 -0.032 1.00 0.32 H new ATOM 0 HB2 HIS A 40 18.366 -15.839 0.014 1.00 43.52 H new ATOM 0 HB3 HIS A 40 17.469 -15.275 1.409 1.00 43.52 H new ATOM 0 HD1 HIS A 40 16.366 -17.005 2.899 1.00 74.02 H new ATOM 0 HD2 HIS A 40 17.800 -18.579 -0.705 1.00 73.03 H new ATOM 0 HE1 HIS A 40 16.223 -19.532 3.094 1.00 73.15 H new ATOM 457 N GLU A 41 15.389 -13.201 0.110 1.00 44.31 N ATOM 458 CA GLU A 41 15.347 -11.762 0.197 1.00 31.14 C ATOM 459 C GLU A 41 15.972 -11.283 1.498 1.00 44.33 C ATOM 460 O GLU A 41 16.450 -10.147 1.592 1.00 71.20 O ATOM 461 CB GLU A 41 13.927 -11.244 0.036 1.00 73.30 C ATOM 462 CG GLU A 41 12.952 -11.682 1.102 1.00 51.24 C ATOM 463 CD GLU A 41 11.578 -11.205 0.776 1.00 52.40 C ATOM 464 OE1 GLU A 41 11.386 -9.981 0.651 1.00 54.05 O ATOM 465 OE2 GLU A 41 10.686 -12.056 0.554 1.00 11.22 O ATOM 0 H GLU A 41 14.541 -13.669 0.429 1.00 44.31 H new ATOM 0 HA GLU A 41 15.936 -11.354 -0.625 1.00 31.14 H new ATOM 0 HB2 GLU A 41 13.956 -10.155 0.020 1.00 73.30 H new ATOM 0 HB3 GLU A 41 13.548 -11.567 -0.934 1.00 73.30 H new ATOM 0 HG2 GLU A 41 12.957 -12.769 1.184 1.00 51.24 H new ATOM 0 HG3 GLU A 41 13.261 -11.288 2.070 1.00 51.24 H new ATOM 472 N GLU A 42 15.955 -12.158 2.480 1.00 12.44 N ATOM 473 CA GLU A 42 16.533 -11.924 3.791 1.00 23.51 C ATOM 474 C GLU A 42 17.974 -12.405 3.844 1.00 50.43 C ATOM 475 O GLU A 42 18.797 -11.854 4.571 1.00 74.53 O ATOM 476 CB GLU A 42 15.689 -12.568 4.941 1.00 14.43 C ATOM 477 CG GLU A 42 14.821 -13.805 4.575 1.00 50.22 C ATOM 478 CD GLU A 42 15.517 -14.836 3.714 1.00 0.14 C ATOM 479 OE1 GLU A 42 16.277 -15.668 4.217 1.00 2.14 O ATOM 480 OE2 GLU A 42 15.330 -14.780 2.502 1.00 52.30 O ATOM 0 H GLU A 42 15.527 -13.079 2.388 1.00 12.44 H new ATOM 0 HA GLU A 42 16.520 -10.846 3.953 1.00 23.51 H new ATOM 0 HB2 GLU A 42 16.371 -12.858 5.740 1.00 14.43 H new ATOM 0 HB3 GLU A 42 15.030 -11.801 5.348 1.00 14.43 H new ATOM 0 HG2 GLU A 42 14.491 -14.285 5.496 1.00 50.22 H new ATOM 0 HG3 GLU A 42 13.926 -13.462 4.055 1.00 50.22 H new ATOM 487 N SER A 43 18.262 -13.417 3.077 1.00 74.33 N ATOM 488 CA SER A 43 19.586 -13.953 2.995 1.00 42.43 C ATOM 489 C SER A 43 20.374 -13.293 1.876 1.00 11.43 C ATOM 490 O SER A 43 19.826 -12.548 1.059 1.00 20.13 O ATOM 491 CB SER A 43 19.565 -15.453 2.834 1.00 3.30 C ATOM 492 OG SER A 43 18.931 -16.080 3.943 1.00 54.51 O ATOM 0 H SER A 43 17.580 -13.895 2.488 1.00 74.33 H new ATOM 0 HA SER A 43 20.090 -13.731 3.936 1.00 42.43 H new ATOM 0 HB2 SER A 43 19.040 -15.716 1.915 1.00 3.30 H new ATOM 0 HB3 SER A 43 20.585 -15.825 2.736 1.00 3.30 H new ATOM 0 HG SER A 43 17.958 -16.009 3.847 1.00 54.51 H new ATOM 498 N ASN A 44 21.659 -13.557 1.862 1.00 34.11 N ATOM 499 CA ASN A 44 22.580 -12.901 0.956 1.00 51.33 C ATOM 500 C ASN A 44 22.360 -13.312 -0.503 1.00 21.32 C ATOM 501 O ASN A 44 22.392 -14.490 -0.845 1.00 31.42 O ATOM 502 CB ASN A 44 24.035 -13.154 1.397 1.00 24.24 C ATOM 503 CG ASN A 44 25.056 -12.226 0.753 1.00 34.11 C ATOM 504 OD1 ASN A 44 24.893 -11.778 -0.349 1.00 71.04 O ATOM 505 ND2 ASN A 44 26.122 -11.931 1.463 1.00 73.14 N ATOM 0 H ASN A 44 22.100 -14.237 2.481 1.00 34.11 H new ATOM 0 HA ASN A 44 22.381 -11.831 1.006 1.00 51.33 H new ATOM 0 HB2 ASN A 44 24.098 -13.048 2.480 1.00 24.24 H new ATOM 0 HB3 ASN A 44 24.299 -14.185 1.162 1.00 24.24 H new ATOM 0 HD21 ASN A 44 26.834 -11.309 1.080 1.00 73.14 H new ATOM 0 HD22 ASN A 44 26.238 -12.324 2.397 1.00 73.14 H new ATOM 512 N LEU A 45 22.191 -12.309 -1.340 1.00 72.20 N ATOM 513 CA LEU A 45 21.958 -12.474 -2.768 1.00 71.30 C ATOM 514 C LEU A 45 23.231 -12.893 -3.508 1.00 33.44 C ATOM 515 O LEU A 45 23.163 -13.484 -4.573 1.00 72.01 O ATOM 516 CB LEU A 45 21.448 -11.170 -3.371 1.00 70.23 C ATOM 517 CG LEU A 45 20.138 -10.619 -2.825 1.00 73.15 C ATOM 518 CD1 LEU A 45 19.862 -9.255 -3.427 1.00 51.33 C ATOM 519 CD2 LEU A 45 18.992 -11.567 -3.127 1.00 12.23 C ATOM 0 H LEU A 45 22.212 -11.333 -1.044 1.00 72.20 H new ATOM 0 HA LEU A 45 21.213 -13.262 -2.883 1.00 71.30 H new ATOM 0 HB2 LEU A 45 22.218 -10.410 -3.234 1.00 70.23 H new ATOM 0 HB3 LEU A 45 21.332 -11.316 -4.445 1.00 70.23 H new ATOM 0 HG LEU A 45 20.225 -10.520 -1.743 1.00 73.15 H new ATOM 0 HD11 LEU A 45 18.923 -8.866 -3.032 1.00 51.33 H new ATOM 0 HD12 LEU A 45 20.673 -8.573 -3.171 1.00 51.33 H new ATOM 0 HD13 LEU A 45 19.791 -9.343 -4.511 1.00 51.33 H new ATOM 0 HD21 LEU A 45 18.065 -11.155 -2.729 1.00 12.23 H new ATOM 0 HD22 LEU A 45 18.899 -11.694 -4.206 1.00 12.23 H new ATOM 0 HD23 LEU A 45 19.188 -12.534 -2.664 1.00 12.23 H new ATOM 531 N ILE A 46 24.385 -12.604 -2.917 1.00 55.21 N ATOM 532 CA ILE A 46 25.691 -12.919 -3.527 1.00 21.03 C ATOM 533 C ILE A 46 25.959 -14.443 -3.405 1.00 11.54 C ATOM 534 O ILE A 46 26.909 -14.980 -3.952 1.00 35.24 O ATOM 535 CB ILE A 46 26.850 -12.092 -2.843 1.00 61.34 C ATOM 536 CG1 ILE A 46 26.530 -10.582 -2.829 1.00 73.12 C ATOM 537 CG2 ILE A 46 28.199 -12.310 -3.527 1.00 21.13 C ATOM 538 CD1 ILE A 46 26.402 -9.931 -4.194 1.00 13.42 C ATOM 0 H ILE A 46 24.452 -12.148 -2.007 1.00 55.21 H new ATOM 0 HA ILE A 46 25.667 -12.640 -4.580 1.00 21.03 H new ATOM 0 HB ILE A 46 26.918 -12.459 -1.819 1.00 61.34 H new ATOM 0 HG12 ILE A 46 25.598 -10.430 -2.284 1.00 73.12 H new ATOM 0 HG13 ILE A 46 27.313 -10.067 -2.272 1.00 73.12 H new ATOM 0 HG21 ILE A 46 28.963 -11.720 -3.021 1.00 21.13 H new ATOM 0 HG22 ILE A 46 28.465 -13.366 -3.479 1.00 21.13 H new ATOM 0 HG23 ILE A 46 28.133 -11.999 -4.570 1.00 21.13 H new ATOM 0 HD11 ILE A 46 26.177 -8.872 -4.072 1.00 13.42 H new ATOM 0 HD12 ILE A 46 27.339 -10.042 -4.739 1.00 13.42 H new ATOM 0 HD13 ILE A 46 25.598 -10.411 -4.752 1.00 13.42 H new ATOM 550 N GLN A 47 25.081 -15.122 -2.675 1.00 15.20 N ATOM 551 CA GLN A 47 25.146 -16.570 -2.550 1.00 35.42 C ATOM 552 C GLN A 47 24.460 -17.218 -3.754 1.00 13.01 C ATOM 553 O GLN A 47 24.478 -18.432 -3.939 1.00 4.31 O ATOM 554 CB GLN A 47 24.517 -17.028 -1.241 1.00 51.02 C ATOM 555 CG GLN A 47 25.266 -16.529 -0.014 1.00 32.42 C ATOM 556 CD GLN A 47 26.684 -17.076 0.082 1.00 42.15 C ATOM 557 OE1 GLN A 47 26.972 -18.176 -0.344 1.00 12.32 O ATOM 558 NE2 GLN A 47 27.582 -16.293 0.626 1.00 72.41 N ATOM 0 H GLN A 47 24.314 -14.689 -2.160 1.00 15.20 H new ATOM 0 HA GLN A 47 26.190 -16.882 -2.535 1.00 35.42 H new ATOM 0 HB2 GLN A 47 23.486 -16.677 -1.198 1.00 51.02 H new ATOM 0 HB3 GLN A 47 24.484 -18.117 -1.222 1.00 51.02 H new ATOM 0 HG2 GLN A 47 25.304 -15.440 -0.036 1.00 32.42 H new ATOM 0 HG3 GLN A 47 24.713 -16.811 0.882 1.00 32.42 H new ATOM 0 HE21 GLN A 47 27.312 -15.374 0.976 1.00 72.41 H new ATOM 0 HE22 GLN A 47 28.551 -16.603 0.700 1.00 72.41 H new ATOM 567 N ALA A 48 23.829 -16.379 -4.545 1.00 24.23 N ATOM 568 CA ALA A 48 23.207 -16.771 -5.779 1.00 60.04 C ATOM 569 C ALA A 48 24.012 -16.146 -6.911 1.00 43.05 C ATOM 570 O ALA A 48 25.010 -15.468 -6.652 1.00 51.20 O ATOM 571 CB ALA A 48 21.755 -16.301 -5.819 1.00 4.01 C ATOM 0 H ALA A 48 23.735 -15.384 -4.339 1.00 24.23 H new ATOM 0 HA ALA A 48 23.196 -17.857 -5.877 1.00 60.04 H new ATOM 0 HB1 ALA A 48 21.299 -16.607 -6.761 1.00 4.01 H new ATOM 0 HB2 ALA A 48 21.206 -16.746 -4.989 1.00 4.01 H new ATOM 0 HB3 ALA A 48 21.722 -15.215 -5.736 1.00 4.01 H new ATOM 577 N GLY A 49 23.606 -16.351 -8.152 1.00 54.03 N ATOM 578 CA GLY A 49 24.364 -15.776 -9.242 1.00 25.04 C ATOM 579 C GLY A 49 24.065 -14.302 -9.418 1.00 32.31 C ATOM 580 O GLY A 49 23.202 -13.920 -10.196 1.00 54.10 O ATOM 0 H GLY A 49 22.785 -16.892 -8.422 1.00 54.03 H new ATOM 0 HA2 GLY A 49 25.429 -15.911 -9.055 1.00 25.04 H new ATOM 0 HA3 GLY A 49 24.133 -16.307 -10.166 1.00 25.04 H new ATOM 584 N LEU A 50 24.788 -13.493 -8.705 1.00 64.34 N ATOM 585 CA LEU A 50 24.662 -12.088 -8.764 1.00 40.35 C ATOM 586 C LEU A 50 26.056 -11.483 -8.790 1.00 34.15 C ATOM 587 O LEU A 50 26.766 -11.482 -7.786 1.00 64.13 O ATOM 588 CB LEU A 50 23.867 -11.594 -7.546 1.00 45.53 C ATOM 589 CG LEU A 50 23.686 -10.090 -7.431 1.00 52.51 C ATOM 590 CD1 LEU A 50 22.849 -9.554 -8.573 1.00 34.13 C ATOM 591 CD2 LEU A 50 23.072 -9.708 -6.105 1.00 12.24 C ATOM 0 H LEU A 50 25.501 -13.813 -8.049 1.00 64.34 H new ATOM 0 HA LEU A 50 24.125 -11.785 -9.663 1.00 40.35 H new ATOM 0 HB2 LEU A 50 22.881 -12.057 -7.569 1.00 45.53 H new ATOM 0 HB3 LEU A 50 24.365 -11.950 -6.644 1.00 45.53 H new ATOM 0 HG LEU A 50 24.676 -9.638 -7.487 1.00 52.51 H new ATOM 0 HD11 LEU A 50 22.735 -8.475 -8.466 1.00 34.13 H new ATOM 0 HD12 LEU A 50 23.342 -9.775 -9.520 1.00 34.13 H new ATOM 0 HD13 LEU A 50 21.867 -10.026 -8.557 1.00 34.13 H new ATOM 0 HD21 LEU A 50 22.957 -8.625 -6.056 1.00 12.24 H new ATOM 0 HD22 LEU A 50 22.095 -10.182 -6.006 1.00 12.24 H new ATOM 0 HD23 LEU A 50 23.720 -10.041 -5.294 1.00 12.24 H new ATOM 603 N ASP A 51 26.452 -11.055 -9.955 1.00 60.41 N ATOM 604 CA ASP A 51 27.738 -10.425 -10.163 1.00 61.53 C ATOM 605 C ASP A 51 27.604 -8.920 -9.996 1.00 42.00 C ATOM 606 O ASP A 51 26.545 -8.419 -9.584 1.00 43.23 O ATOM 607 CB ASP A 51 28.298 -10.764 -11.561 1.00 62.00 C ATOM 608 CG ASP A 51 27.331 -10.454 -12.683 1.00 72.30 C ATOM 609 OD1 ASP A 51 26.910 -9.304 -12.837 1.00 23.13 O ATOM 610 OD2 ASP A 51 26.932 -11.382 -13.393 1.00 44.41 O ATOM 0 H ASP A 51 25.888 -11.132 -10.802 1.00 60.41 H new ATOM 0 HA ASP A 51 28.438 -10.807 -9.420 1.00 61.53 H new ATOM 0 HB2 ASP A 51 29.220 -10.206 -11.721 1.00 62.00 H new ATOM 0 HB3 ASP A 51 28.556 -11.822 -11.595 1.00 62.00 H new HETATM 615 N 4HJ A 52 28.618 -8.183 -10.381 1.00 64.32 N HETATM 616 CA 4HJ A 52 28.594 -6.753 -10.169 1.00 35.32 C HETATM 617 CAA 4HJ A 52 30.104 -9.533 -7.264 1.00 10.22 C HETATM 618 C 4HJ A 52 27.957 -6.046 -11.343 1.00 5.23 C HETATM 619 O 4HJ A 52 27.677 -4.845 -11.277 1.00 22.23 O HETATM 620 CB 4HJ A 52 29.961 -6.203 -9.927 1.00 1.24 C HETATM 621 OG 4HJ A 52 30.833 -6.588 -10.964 1.00 1.42 O HETATM 622 CZ1 4HJ A 52 29.897 -9.903 -5.960 1.00 20.54 C HETATM 623 CZ2 4HJ A 52 30.880 -8.439 -7.568 1.00 30.34 C HETATM 624 OZ 4HJ A 52 30.279 -9.560 -3.623 1.00 3.23 O HETATM 625 CJ 4HJ A 52 32.252 -3.483 -10.321 1.00 32.30 C HETATM 626 CK 4HJ A 52 32.662 -2.652 -9.075 1.00 52.13 C HETATM 627 CL1 4HJ A 52 33.984 -3.276 -8.602 1.00 33.31 C HETATM 628 CL2 4HJ A 52 31.558 -2.868 -8.052 1.00 43.44 C HETATM 629 CM 4HJ A 52 33.329 -0.107 -8.421 1.00 32.14 C HETATM 630 OM 4HJ A 52 31.510 -0.673 -9.786 1.00 14.22 O HETATM 631 NN 4HJ A 52 34.161 -0.479 -7.425 1.00 63.22 N HETATM 632 ON 4HJ A 52 32.994 1.054 -8.553 1.00 23.33 O HETATM 633 P 4HJ A 52 32.248 -5.898 -11.013 1.00 11.23 P HETATM 634 O1P 4HJ A 52 32.401 -5.266 -12.343 1.00 32.44 O HETATM 635 O2P 4HJ A 52 33.270 -6.930 -10.784 1.00 52.21 O HETATM 636 O3P 4HJ A 52 32.298 -4.877 -9.943 1.00 72.23 O HETATM 637 CX 4HJ A 52 31.267 -8.022 -5.222 1.00 71.21 C HETATM 638 CL3 4HJ A 52 32.791 -1.135 -9.486 1.00 21.11 C HETATM 639 CO 4HJ A 52 33.773 -0.910 -6.046 1.00 62.34 C HETATM 640 CP 4HJ A 52 34.973 -1.484 -5.273 1.00 64.04 C HETATM 641 CQ 4HJ A 52 34.710 -1.716 -3.779 1.00 22.21 C HETATM 642 CS 4HJ A 52 32.867 -3.279 -3.316 1.00 3.03 C HETATM 643 CT 4HJ A 52 32.657 -4.773 -3.128 1.00 71.24 C HETATM 644 CV 4HJ A 52 31.853 -7.161 -4.139 1.00 72.14 C HETATM 645 CY1 4HJ A 52 30.479 -9.169 -4.920 1.00 41.23 C HETATM 646 CY2 4HJ A 52 31.475 -7.687 -6.564 1.00 43.13 C HETATM 647 NR 4HJ A 52 34.276 -2.916 -3.421 1.00 42.53 N HETATM 648 OR 4HJ A 52 34.917 -0.822 -2.944 1.00 43.25 O HETATM 649 OW 4HJ A 52 31.778 -7.443 -2.932 1.00 12.13 O HETATM 650 SU 4HJ A 52 32.650 -5.680 -4.691 1.00 52.11 S ATOM 680 N ILE A 53 27.766 -6.736 -12.420 1.00 2.40 N ATOM 681 CA ILE A 53 27.190 -6.118 -13.537 1.00 2.01 C ATOM 682 C ILE A 53 25.686 -6.114 -13.349 1.00 54.13 C ATOM 683 O ILE A 53 24.997 -5.153 -13.703 1.00 32.02 O ATOM 684 CB ILE A 53 27.661 -6.753 -14.879 1.00 0.21 C ATOM 685 CG1 ILE A 53 28.030 -5.660 -15.855 1.00 72.14 C ATOM 686 CG2 ILE A 53 26.644 -7.718 -15.513 1.00 2.22 C ATOM 687 CD1 ILE A 53 26.934 -4.640 -16.071 1.00 52.23 C ATOM 0 H ILE A 53 28.003 -7.721 -12.536 1.00 2.40 H new ATOM 0 HA ILE A 53 27.530 -5.085 -13.610 1.00 2.01 H new ATOM 0 HB ILE A 53 28.532 -7.363 -14.641 1.00 0.21 H new ATOM 0 HG12 ILE A 53 28.923 -5.149 -15.494 1.00 72.14 H new ATOM 0 HG13 ILE A 53 28.287 -6.112 -16.813 1.00 72.14 H new ATOM 0 HG21 ILE A 53 27.050 -8.115 -16.443 1.00 2.22 H new ATOM 0 HG22 ILE A 53 26.444 -8.539 -14.825 1.00 2.22 H new ATOM 0 HG23 ILE A 53 25.717 -7.184 -15.721 1.00 2.22 H new ATOM 0 HD11 ILE A 53 27.272 -3.888 -16.783 1.00 52.23 H new ATOM 0 HD12 ILE A 53 26.046 -5.137 -16.462 1.00 52.23 H new ATOM 0 HD13 ILE A 53 26.692 -4.159 -15.123 1.00 52.23 H new ATOM 699 N ARG A 54 25.186 -7.173 -12.750 1.00 52.40 N ATOM 700 CA ARG A 54 23.818 -7.202 -12.330 1.00 4.20 C ATOM 701 C ARG A 54 23.646 -6.165 -11.266 1.00 11.24 C ATOM 702 O ARG A 54 22.740 -5.357 -11.335 1.00 3.33 O ATOM 703 CB ARG A 54 23.408 -8.568 -11.792 1.00 13.33 C ATOM 704 CG ARG A 54 22.943 -9.560 -12.838 1.00 40.22 C ATOM 705 CD ARG A 54 24.017 -9.941 -13.830 1.00 15.34 C ATOM 706 NE ARG A 54 23.456 -10.825 -14.847 1.00 23.01 N ATOM 707 CZ ARG A 54 24.098 -11.728 -15.571 1.00 60.52 C ATOM 708 NH1 ARG A 54 25.375 -12.011 -15.345 1.00 55.33 N ATOM 709 NH2 ARG A 54 23.413 -12.394 -16.498 1.00 11.34 N ATOM 0 H ARG A 54 25.714 -8.022 -12.547 1.00 52.40 H new ATOM 0 HA ARG A 54 23.180 -6.998 -13.190 1.00 4.20 H new ATOM 0 HB2 ARG A 54 24.254 -8.999 -11.257 1.00 13.33 H new ATOM 0 HB3 ARG A 54 22.608 -8.429 -11.065 1.00 13.33 H new ATOM 0 HG2 ARG A 54 22.585 -10.461 -12.339 1.00 40.22 H new ATOM 0 HG3 ARG A 54 22.096 -9.136 -13.377 1.00 40.22 H new ATOM 0 HD2 ARG A 54 24.427 -9.046 -14.298 1.00 15.34 H new ATOM 0 HD3 ARG A 54 24.840 -10.438 -13.317 1.00 15.34 H new ATOM 0 HE ARG A 54 22.455 -10.737 -15.019 1.00 23.01 H new ATOM 0 HH11 ARG A 54 25.880 -11.529 -14.602 1.00 55.33 H new ATOM 0 HH12 ARG A 54 25.851 -12.710 -15.915 1.00 55.33 H new ATOM 0 HH21 ARG A 54 22.421 -12.202 -16.635 1.00 11.34 H new ATOM 0 HH22 ARG A 54 23.881 -13.096 -17.072 1.00 11.34 H new ATOM 723 N LEU A 55 24.588 -6.154 -10.335 1.00 1.44 N ATOM 724 CA LEU A 55 24.599 -5.238 -9.210 1.00 1.15 C ATOM 725 C LEU A 55 24.534 -3.780 -9.702 1.00 11.12 C ATOM 726 O LEU A 55 23.624 -3.053 -9.332 1.00 11.34 O ATOM 727 CB LEU A 55 25.878 -5.444 -8.411 1.00 74.32 C ATOM 728 CG LEU A 55 25.806 -5.394 -6.882 1.00 71.11 C ATOM 729 CD1 LEU A 55 25.020 -4.216 -6.341 1.00 13.52 C ATOM 730 CD2 LEU A 55 25.344 -6.721 -6.319 1.00 64.42 C ATOM 0 H LEU A 55 25.381 -6.795 -10.343 1.00 1.44 H new ATOM 0 HA LEU A 55 23.730 -5.436 -8.583 1.00 1.15 H new ATOM 0 HB2 LEU A 55 26.290 -6.413 -8.691 1.00 74.32 H new ATOM 0 HB3 LEU A 55 26.594 -4.688 -8.733 1.00 74.32 H new ATOM 0 HG LEU A 55 26.823 -5.221 -6.529 1.00 71.11 H new ATOM 0 HD11 LEU A 55 25.015 -4.251 -5.252 1.00 13.52 H new ATOM 0 HD12 LEU A 55 25.483 -3.287 -6.672 1.00 13.52 H new ATOM 0 HD13 LEU A 55 23.995 -4.262 -6.710 1.00 13.52 H new ATOM 0 HD21 LEU A 55 25.301 -6.660 -5.232 1.00 64.42 H new ATOM 0 HD22 LEU A 55 24.354 -6.956 -6.709 1.00 64.42 H new ATOM 0 HD23 LEU A 55 26.044 -7.504 -6.611 1.00 64.42 H new ATOM 742 N MET A 56 25.482 -3.374 -10.573 1.00 53.30 N ATOM 743 CA MET A 56 25.528 -1.975 -11.060 1.00 54.14 C ATOM 744 C MET A 56 24.272 -1.617 -11.827 1.00 64.31 C ATOM 745 O MET A 56 23.767 -0.486 -11.734 1.00 63.13 O ATOM 746 CB MET A 56 26.775 -1.669 -11.919 1.00 21.35 C ATOM 747 CG MET A 56 28.150 -1.775 -11.223 1.00 44.03 C ATOM 748 SD MET A 56 28.276 -0.867 -9.674 1.00 33.31 S ATOM 749 CE MET A 56 27.654 -2.065 -8.494 1.00 2.05 C ATOM 0 H MET A 56 26.212 -3.979 -10.948 1.00 53.30 H new ATOM 0 HA MET A 56 25.593 -1.354 -10.166 1.00 54.14 H new ATOM 0 HB2 MET A 56 26.774 -2.348 -12.772 1.00 21.35 H new ATOM 0 HB3 MET A 56 26.673 -0.659 -12.316 1.00 21.35 H new ATOM 0 HG2 MET A 56 28.366 -2.826 -11.032 1.00 44.03 H new ATOM 0 HG3 MET A 56 28.918 -1.411 -11.906 1.00 44.03 H new ATOM 0 HE1 MET A 56 28.106 -1.883 -7.519 1.00 2.05 H new ATOM 0 HE2 MET A 56 26.571 -1.970 -8.416 1.00 2.05 H new ATOM 0 HE3 MET A 56 27.907 -3.071 -8.829 1.00 2.05 H new ATOM 759 N ARG A 57 23.751 -2.603 -12.543 1.00 13.23 N ATOM 760 CA ARG A 57 22.535 -2.471 -13.309 1.00 31.22 C ATOM 761 C ARG A 57 21.395 -2.103 -12.404 1.00 61.12 C ATOM 762 O ARG A 57 20.587 -1.239 -12.724 1.00 35.44 O ATOM 763 CB ARG A 57 22.203 -3.748 -13.974 1.00 71.43 C ATOM 764 CG ARG A 57 21.181 -3.534 -15.033 1.00 61.03 C ATOM 765 CD ARG A 57 20.387 -4.734 -15.196 1.00 61.13 C ATOM 766 NE ARG A 57 21.162 -5.882 -15.708 1.00 30.13 N ATOM 767 CZ ARG A 57 20.896 -7.177 -15.434 1.00 72.23 C ATOM 768 NH1 ARG A 57 20.004 -7.496 -14.510 1.00 71.10 N ATOM 769 NH2 ARG A 57 21.559 -8.146 -16.061 1.00 51.34 N ATOM 0 H ARG A 57 24.173 -3.529 -12.604 1.00 13.23 H new ATOM 0 HA ARG A 57 22.690 -1.693 -14.057 1.00 31.22 H new ATOM 0 HB2 ARG A 57 23.102 -4.182 -14.411 1.00 71.43 H new ATOM 0 HB3 ARG A 57 21.830 -4.461 -13.239 1.00 71.43 H new ATOM 0 HG2 ARG A 57 20.538 -2.695 -14.767 1.00 61.03 H new ATOM 0 HG3 ARG A 57 21.667 -3.278 -15.974 1.00 61.03 H new ATOM 0 HD2 ARG A 57 19.945 -5.002 -14.236 1.00 61.13 H new ATOM 0 HD3 ARG A 57 19.564 -4.527 -15.879 1.00 61.13 H new ATOM 0 HE ARG A 57 21.958 -5.682 -16.314 1.00 30.13 H new ATOM 0 HH11 ARG A 57 19.513 -6.762 -14.000 1.00 71.10 H new ATOM 0 HH12 ARG A 57 19.808 -8.476 -14.308 1.00 71.10 H new ATOM 0 HH21 ARG A 57 22.272 -7.912 -16.752 1.00 51.34 H new ATOM 0 HH22 ARG A 57 21.354 -9.123 -15.850 1.00 51.34 H new ATOM 783 N TRP A 58 21.361 -2.750 -11.260 1.00 70.43 N ATOM 784 CA TRP A 58 20.353 -2.495 -10.256 1.00 13.33 C ATOM 785 C TRP A 58 20.348 -1.069 -9.800 1.00 4.44 C ATOM 786 O TRP A 58 19.294 -0.432 -9.789 1.00 35.04 O ATOM 787 CB TRP A 58 20.427 -3.505 -9.106 1.00 35.34 C ATOM 788 CG TRP A 58 20.148 -4.911 -9.565 1.00 73.00 C ATOM 789 CD1 TRP A 58 20.828 -6.036 -9.215 1.00 23.21 C ATOM 790 CD2 TRP A 58 19.120 -5.338 -10.490 1.00 44.32 C ATOM 791 NE1 TRP A 58 20.307 -7.126 -9.866 1.00 13.43 N ATOM 792 CE2 TRP A 58 19.258 -6.723 -10.645 1.00 70.41 C ATOM 793 CE3 TRP A 58 18.093 -4.682 -11.201 1.00 4.12 C ATOM 794 CZ2 TRP A 58 18.429 -7.460 -11.473 1.00 65.00 C ATOM 795 CZ3 TRP A 58 17.270 -5.421 -12.009 1.00 53.31 C ATOM 796 CH2 TRP A 58 17.441 -6.790 -12.142 1.00 31.44 C ATOM 0 H TRP A 58 22.034 -3.470 -10.999 1.00 70.43 H new ATOM 0 HA TRP A 58 19.382 -2.648 -10.727 1.00 13.33 H new ATOM 0 HB2 TRP A 58 21.417 -3.463 -8.651 1.00 35.34 H new ATOM 0 HB3 TRP A 58 19.709 -3.227 -8.334 1.00 35.34 H new ATOM 0 HD1 TRP A 58 21.658 -6.067 -8.525 1.00 23.21 H new ATOM 0 HE1 TRP A 58 20.648 -8.084 -9.782 1.00 13.43 H new ATOM 0 HE3 TRP A 58 17.958 -3.614 -11.110 1.00 4.12 H new ATOM 0 HZ2 TRP A 58 18.557 -8.526 -11.587 1.00 65.00 H new ATOM 0 HZ3 TRP A 58 16.476 -4.929 -12.551 1.00 53.31 H new ATOM 0 HH2 TRP A 58 16.777 -7.342 -12.791 1.00 31.44 H new ATOM 807 N LEU A 59 21.503 -0.520 -9.520 1.00 51.50 N ATOM 808 CA LEU A 59 21.570 0.851 -9.031 1.00 32.12 C ATOM 809 C LEU A 59 21.064 1.847 -9.990 1.00 24.54 C ATOM 810 O LEU A 59 20.334 2.754 -9.604 1.00 53.03 O ATOM 811 CB LEU A 59 22.930 1.278 -8.608 1.00 72.52 C ATOM 812 CG LEU A 59 23.414 0.729 -7.321 1.00 4.43 C ATOM 813 CD1 LEU A 59 24.000 -0.627 -7.535 1.00 30.15 C ATOM 814 CD2 LEU A 59 24.372 1.694 -6.710 1.00 71.51 C ATOM 0 H LEU A 59 22.405 -0.987 -9.618 1.00 51.50 H new ATOM 0 HA LEU A 59 20.918 0.823 -8.158 1.00 32.12 H new ATOM 0 HB2 LEU A 59 23.636 0.996 -9.389 1.00 72.52 H new ATOM 0 HB3 LEU A 59 22.944 2.366 -8.544 1.00 72.52 H new ATOM 0 HG LEU A 59 22.590 0.601 -6.619 1.00 4.43 H new ATOM 0 HD11 LEU A 59 24.354 -1.025 -6.584 1.00 30.15 H new ATOM 0 HD12 LEU A 59 23.240 -1.291 -7.946 1.00 30.15 H new ATOM 0 HD13 LEU A 59 24.835 -0.557 -8.232 1.00 30.15 H new ATOM 0 HD21 LEU A 59 24.733 1.297 -5.761 1.00 71.51 H new ATOM 0 HD22 LEU A 59 25.215 1.846 -7.384 1.00 71.51 H new ATOM 0 HD23 LEU A 59 23.869 2.646 -6.537 1.00 71.51 H new ATOM 826 N HIS A 60 21.432 1.703 -11.228 1.00 64.22 N ATOM 827 CA HIS A 60 21.030 2.660 -12.209 1.00 24.02 C ATOM 828 C HIS A 60 19.554 2.457 -12.583 1.00 31.44 C ATOM 829 O HIS A 60 18.914 3.326 -13.171 1.00 30.13 O ATOM 830 CB HIS A 60 21.990 2.693 -13.417 1.00 62.52 C ATOM 831 CG HIS A 60 21.887 1.566 -14.417 1.00 23.42 C ATOM 832 ND1 HIS A 60 20.864 1.440 -15.336 1.00 74.33 N ATOM 833 CD2 HIS A 60 22.725 0.537 -14.655 1.00 22.55 C ATOM 834 CE1 HIS A 60 21.108 0.363 -16.080 1.00 24.24 C ATOM 835 NE2 HIS A 60 22.227 -0.225 -15.711 1.00 3.12 N ATOM 0 H HIS A 60 22.006 0.937 -11.579 1.00 64.22 H new ATOM 0 HA HIS A 60 21.103 3.657 -11.776 1.00 24.02 H new ATOM 0 HB2 HIS A 60 21.830 3.631 -13.949 1.00 62.52 H new ATOM 0 HB3 HIS A 60 23.011 2.713 -13.036 1.00 62.52 H new ATOM 0 HD2 HIS A 60 23.637 0.335 -14.114 1.00 22.55 H new ATOM 0 HE1 HIS A 60 20.472 0.017 -16.881 1.00 24.24 H new ATOM 0 HE2 HIS A 60 22.643 -1.064 -16.114 1.00 3.12 H new ATOM 843 N TRP A 61 19.043 1.299 -12.224 1.00 65.22 N ATOM 844 CA TRP A 61 17.680 0.926 -12.461 1.00 2.13 C ATOM 845 C TRP A 61 16.726 1.625 -11.451 1.00 72.32 C ATOM 846 O TRP A 61 15.801 2.312 -11.863 1.00 60.23 O ATOM 847 CB TRP A 61 17.571 -0.587 -12.393 1.00 31.54 C ATOM 848 CG TRP A 61 16.244 -1.118 -12.795 1.00 20.12 C ATOM 849 CD1 TRP A 61 15.680 -1.064 -14.037 1.00 75.04 C ATOM 850 CD2 TRP A 61 15.328 -1.808 -11.968 1.00 1.02 C ATOM 851 NE1 TRP A 61 14.450 -1.665 -14.020 1.00 61.43 N ATOM 852 CE2 TRP A 61 14.211 -2.137 -12.757 1.00 50.43 C ATOM 853 CE3 TRP A 61 15.341 -2.174 -10.631 1.00 73.13 C ATOM 854 CZ2 TRP A 61 13.121 -2.820 -12.244 1.00 25.52 C ATOM 855 CZ3 TRP A 61 14.266 -2.849 -10.129 1.00 63.25 C ATOM 856 CH2 TRP A 61 13.170 -3.167 -10.932 1.00 4.51 C ATOM 0 H TRP A 61 19.585 0.578 -11.747 1.00 65.22 H new ATOM 0 HA TRP A 61 17.373 1.257 -13.453 1.00 2.13 H new ATOM 0 HB2 TRP A 61 18.335 -1.025 -13.035 1.00 31.54 H new ATOM 0 HB3 TRP A 61 17.787 -0.911 -11.375 1.00 31.54 H new ATOM 0 HD1 TRP A 61 16.137 -0.613 -14.906 1.00 75.04 H new ATOM 0 HE1 TRP A 61 13.817 -1.747 -14.816 1.00 61.43 H new ATOM 0 HE3 TRP A 61 16.183 -1.930 -10.000 1.00 73.13 H new ATOM 0 HZ2 TRP A 61 12.269 -3.066 -12.861 1.00 25.52 H new ATOM 0 HZ3 TRP A 61 14.264 -3.143 -9.090 1.00 63.25 H new ATOM 0 HH2 TRP A 61 12.339 -3.703 -10.499 1.00 4.51 H new ATOM 867 N PHE A 62 16.956 1.460 -10.138 1.00 43.24 N ATOM 868 CA PHE A 62 16.146 2.186 -9.104 1.00 62.44 C ATOM 869 C PHE A 62 16.448 3.655 -9.104 1.00 71.31 C ATOM 870 O PHE A 62 15.700 4.454 -8.558 1.00 5.01 O ATOM 871 CB PHE A 62 16.226 1.647 -7.669 1.00 44.03 C ATOM 872 CG PHE A 62 17.185 0.595 -7.408 1.00 31.03 C ATOM 873 CD1 PHE A 62 16.841 -0.723 -7.623 1.00 64.12 C ATOM 874 CD2 PHE A 62 18.429 0.912 -6.928 1.00 33.10 C ATOM 875 CE1 PHE A 62 17.726 -1.725 -7.376 1.00 63.11 C ATOM 876 CE2 PHE A 62 19.342 -0.095 -6.677 1.00 13.21 C ATOM 877 CZ PHE A 62 18.978 -1.422 -6.908 1.00 3.03 C ATOM 0 H PHE A 62 17.677 0.847 -9.757 1.00 43.24 H new ATOM 0 HA PHE A 62 15.120 1.999 -9.422 1.00 62.44 H new ATOM 0 HB2 PHE A 62 16.453 2.483 -7.007 1.00 44.03 H new ATOM 0 HB3 PHE A 62 15.238 1.280 -7.391 1.00 44.03 H new ATOM 0 HD1 PHE A 62 15.855 -0.963 -7.993 1.00 64.12 H new ATOM 0 HD2 PHE A 62 18.694 1.943 -6.747 1.00 33.10 H new ATOM 0 HE1 PHE A 62 17.444 -2.753 -7.548 1.00 63.11 H new ATOM 0 HE2 PHE A 62 20.328 0.143 -6.306 1.00 13.21 H new ATOM 0 HZ PHE A 62 19.686 -2.214 -6.717 1.00 3.03 H new ATOM 887 N ARG A 63 17.617 3.997 -9.620 1.00 4.01 N ATOM 888 CA ARG A 63 18.082 5.381 -9.725 1.00 25.31 C ATOM 889 C ARG A 63 16.986 6.299 -10.294 1.00 13.33 C ATOM 890 O ARG A 63 16.836 7.430 -9.850 1.00 12.00 O ATOM 891 CB ARG A 63 19.275 5.454 -10.654 1.00 50.03 C ATOM 892 CG ARG A 63 20.396 6.354 -10.189 1.00 70.14 C ATOM 893 CD ARG A 63 21.004 5.804 -8.917 1.00 35.23 C ATOM 894 NE ARG A 63 22.230 6.503 -8.518 1.00 32.20 N ATOM 895 CZ ARG A 63 23.097 6.027 -7.619 1.00 73.11 C ATOM 896 NH1 ARG A 63 22.865 4.857 -7.025 1.00 44.02 N ATOM 897 NH2 ARG A 63 24.200 6.710 -7.308 1.00 33.21 N ATOM 0 H ARG A 63 18.283 3.316 -9.984 1.00 4.01 H new ATOM 0 HA ARG A 63 18.348 5.712 -8.721 1.00 25.31 H new ATOM 0 HB2 ARG A 63 19.671 4.448 -10.791 1.00 50.03 H new ATOM 0 HB3 ARG A 63 18.935 5.799 -11.631 1.00 50.03 H new ATOM 0 HG2 ARG A 63 21.159 6.429 -10.964 1.00 70.14 H new ATOM 0 HG3 ARG A 63 20.017 7.361 -10.015 1.00 70.14 H new ATOM 0 HD2 ARG A 63 20.273 5.875 -8.111 1.00 35.23 H new ATOM 0 HD3 ARG A 63 21.224 4.745 -9.055 1.00 35.23 H new ATOM 0 HE ARG A 63 22.433 7.404 -8.951 1.00 32.20 H new ATOM 0 HH11 ARG A 63 22.026 4.325 -7.256 1.00 44.02 H new ATOM 0 HH12 ARG A 63 23.526 4.493 -6.339 1.00 44.02 H new ATOM 0 HH21 ARG A 63 24.389 7.606 -7.758 1.00 33.21 H new ATOM 0 HH22 ARG A 63 24.854 6.336 -6.620 1.00 33.21 H new ATOM 911 N LYS A 64 16.195 5.769 -11.246 1.00 12.11 N ATOM 912 CA LYS A 64 15.115 6.527 -11.889 1.00 20.00 C ATOM 913 C LYS A 64 13.947 6.848 -10.943 1.00 32.33 C ATOM 914 O LYS A 64 13.054 7.605 -11.282 1.00 4.41 O ATOM 915 CB LYS A 64 14.684 5.904 -13.260 1.00 20.13 C ATOM 916 CG LYS A 64 14.189 4.457 -13.244 1.00 4.12 C ATOM 917 CD LYS A 64 12.807 4.340 -12.647 1.00 72.13 C ATOM 918 CE LYS A 64 12.291 2.877 -12.596 1.00 41.53 C ATOM 919 NZ LYS A 64 13.074 2.005 -11.673 1.00 61.11 N ATOM 0 H LYS A 64 16.288 4.812 -11.586 1.00 12.11 H new ATOM 0 HA LYS A 64 15.530 7.504 -12.136 1.00 20.00 H new ATOM 0 HB2 LYS A 64 13.895 6.527 -13.681 1.00 20.13 H new ATOM 0 HB3 LYS A 64 15.534 5.963 -13.940 1.00 20.13 H new ATOM 0 HG2 LYS A 64 14.179 4.066 -14.261 1.00 4.12 H new ATOM 0 HG3 LYS A 64 14.884 3.842 -12.673 1.00 4.12 H new ATOM 0 HD2 LYS A 64 12.817 4.751 -11.638 1.00 72.13 H new ATOM 0 HD3 LYS A 64 12.113 4.944 -13.231 1.00 72.13 H new ATOM 0 HE2 LYS A 64 11.247 2.878 -12.284 1.00 41.53 H new ATOM 0 HE3 LYS A 64 12.323 2.453 -13.600 1.00 41.53 H new ATOM 0 HZ1 LYS A 64 12.638 1.062 -11.633 1.00 61.11 H new ATOM 0 HZ2 LYS A 64 14.051 1.921 -12.020 1.00 61.11 H new ATOM 0 HZ3 LYS A 64 13.080 2.424 -10.721 1.00 61.11 H new ATOM 933 N ASN A 65 13.976 6.261 -9.761 1.00 12.12 N ATOM 934 CA ASN A 65 12.963 6.511 -8.740 1.00 64.34 C ATOM 935 C ASN A 65 13.485 7.582 -7.798 1.00 34.22 C ATOM 936 O ASN A 65 12.795 8.004 -6.861 1.00 21.05 O ATOM 937 CB ASN A 65 12.692 5.272 -7.868 1.00 53.23 C ATOM 938 CG ASN A 65 12.433 3.964 -8.593 1.00 25.41 C ATOM 939 OD1 ASN A 65 12.947 3.713 -9.652 1.00 64.31 O ATOM 940 ND2 ASN A 65 11.660 3.112 -8.002 1.00 12.32 N ATOM 0 H ASN A 65 14.698 5.599 -9.477 1.00 12.12 H new ATOM 0 HA ASN A 65 12.048 6.799 -9.258 1.00 64.34 H new ATOM 0 HB2 ASN A 65 13.547 5.130 -7.207 1.00 53.23 H new ATOM 0 HB3 ASN A 65 11.831 5.485 -7.235 1.00 53.23 H new ATOM 0 HD21 ASN A 65 11.475 2.206 -8.433 1.00 12.32 H new ATOM 0 HD22 ASN A 65 11.235 3.346 -7.105 1.00 12.32 H new ATOM 947 N GLY A 66 14.723 7.984 -8.024 1.00 20.41 N ATOM 948 CA GLY A 66 15.364 8.947 -7.179 1.00 21.22 C ATOM 949 C GLY A 66 16.072 8.289 -6.009 1.00 24.32 C ATOM 950 O GLY A 66 16.150 8.867 -4.903 1.00 71.54 O ATOM 0 H GLY A 66 15.300 7.649 -8.795 1.00 20.41 H new ATOM 0 HA2 GLY A 66 16.084 9.521 -7.763 1.00 21.22 H new ATOM 0 HA3 GLY A 66 14.622 9.653 -6.805 1.00 21.22 H new ATOM 954 N TYR A 67 16.578 7.077 -6.212 1.00 1.34 N ATOM 955 CA TYR A 67 17.266 6.384 -5.161 1.00 61.03 C ATOM 956 C TYR A 67 18.768 6.556 -5.332 1.00 32.15 C ATOM 957 O TYR A 67 19.333 6.211 -6.363 1.00 63.04 O ATOM 958 CB TYR A 67 16.835 4.909 -5.112 1.00 34.55 C ATOM 959 CG TYR A 67 15.329 4.728 -4.876 1.00 72.31 C ATOM 960 CD1 TYR A 67 14.615 5.639 -4.107 1.00 74.35 C ATOM 961 CD2 TYR A 67 14.629 3.657 -5.414 1.00 3.45 C ATOM 962 CE1 TYR A 67 13.264 5.494 -3.881 1.00 52.32 C ATOM 963 CE2 TYR A 67 13.271 3.504 -5.187 1.00 13.42 C ATOM 964 CZ TYR A 67 12.597 4.428 -4.418 1.00 62.20 C ATOM 965 OH TYR A 67 11.244 4.293 -4.197 1.00 63.41 O ATOM 0 H TYR A 67 16.519 6.568 -7.094 1.00 1.34 H new ATOM 0 HA TYR A 67 16.996 6.815 -4.197 1.00 61.03 H new ATOM 0 HB2 TYR A 67 17.110 4.425 -6.049 1.00 34.55 H new ATOM 0 HB3 TYR A 67 17.384 4.403 -4.318 1.00 34.55 H new ATOM 0 HD1 TYR A 67 15.133 6.483 -3.675 1.00 74.35 H new ATOM 0 HD2 TYR A 67 15.152 2.931 -6.019 1.00 3.45 H new ATOM 0 HE1 TYR A 67 12.734 6.219 -3.282 1.00 52.32 H new ATOM 0 HE2 TYR A 67 12.742 2.663 -5.611 1.00 13.42 H new ATOM 0 HH TYR A 67 10.918 3.485 -4.646 1.00 63.41 H new ATOM 975 N ARG A 68 19.396 7.128 -4.329 1.00 10.35 N ATOM 976 CA ARG A 68 20.808 7.460 -4.376 1.00 5.30 C ATOM 977 C ARG A 68 21.573 6.544 -3.471 1.00 65.32 C ATOM 978 O ARG A 68 21.385 6.594 -2.270 1.00 61.24 O ATOM 979 CB ARG A 68 21.022 8.891 -3.901 1.00 11.30 C ATOM 980 CG ARG A 68 20.296 9.950 -4.721 1.00 54.31 C ATOM 981 CD ARG A 68 20.545 11.347 -4.166 1.00 21.34 C ATOM 982 NE ARG A 68 19.842 12.389 -4.942 1.00 33.34 N ATOM 983 CZ ARG A 68 19.845 13.709 -4.653 1.00 64.44 C ATOM 984 NH1 ARG A 68 20.522 14.165 -3.589 1.00 32.43 N ATOM 985 NH2 ARG A 68 19.171 14.565 -5.433 1.00 61.21 N ATOM 0 H ARG A 68 18.941 7.379 -3.451 1.00 10.35 H new ATOM 0 HA ARG A 68 21.156 7.352 -5.403 1.00 5.30 H new ATOM 0 HB2 ARG A 68 20.696 8.968 -2.864 1.00 11.30 H new ATOM 0 HB3 ARG A 68 22.090 9.108 -3.916 1.00 11.30 H new ATOM 0 HG2 ARG A 68 20.631 9.903 -5.757 1.00 54.31 H new ATOM 0 HG3 ARG A 68 19.226 9.742 -4.722 1.00 54.31 H new ATOM 0 HD2 ARG A 68 20.218 11.387 -3.127 1.00 21.34 H new ATOM 0 HD3 ARG A 68 21.615 11.553 -4.171 1.00 21.34 H new ATOM 0 HE ARG A 68 19.313 12.088 -5.760 1.00 33.34 H new ATOM 0 HH11 ARG A 68 21.037 13.515 -2.995 1.00 32.43 H new ATOM 0 HH12 ARG A 68 20.522 15.162 -3.374 1.00 32.43 H new ATOM 0 HH21 ARG A 68 18.657 14.220 -6.243 1.00 61.21 H new ATOM 0 HH22 ARG A 68 19.172 15.562 -5.216 1.00 61.21 H new ATOM 999 N LEU A 69 22.418 5.724 -4.050 1.00 5.15 N ATOM 1000 CA LEU A 69 23.211 4.754 -3.303 1.00 21.12 C ATOM 1001 C LEU A 69 24.599 4.720 -3.884 1.00 22.44 C ATOM 1002 O LEU A 69 24.777 5.005 -5.094 1.00 41.34 O ATOM 1003 CB LEU A 69 22.585 3.344 -3.442 1.00 1.43 C ATOM 1004 CG LEU A 69 21.095 3.203 -3.076 1.00 34.21 C ATOM 1005 CD1 LEU A 69 20.595 1.792 -3.360 1.00 43.41 C ATOM 1006 CD2 LEU A 69 20.853 3.581 -1.622 1.00 53.21 C ATOM 0 H LEU A 69 22.581 5.704 -5.057 1.00 5.15 H new ATOM 0 HA LEU A 69 23.238 5.039 -2.251 1.00 21.12 H new ATOM 0 HB2 LEU A 69 22.713 3.016 -4.474 1.00 1.43 H new ATOM 0 HB3 LEU A 69 23.154 2.657 -2.816 1.00 1.43 H new ATOM 0 HG LEU A 69 20.530 3.893 -3.702 1.00 34.21 H new ATOM 0 HD11 LEU A 69 19.541 1.719 -3.093 1.00 43.41 H new ATOM 0 HD12 LEU A 69 20.717 1.569 -4.420 1.00 43.41 H new ATOM 0 HD13 LEU A 69 21.169 1.077 -2.770 1.00 43.41 H new ATOM 0 HD21 LEU A 69 19.794 3.473 -1.389 1.00 53.21 H new ATOM 0 HD22 LEU A 69 21.435 2.926 -0.974 1.00 53.21 H new ATOM 0 HD23 LEU A 69 21.156 4.615 -1.460 1.00 53.21 H new ATOM 1018 N THR A 70 25.556 4.413 -3.081 1.00 32.11 N ATOM 1019 CA THR A 70 26.880 4.189 -3.538 1.00 61.43 C ATOM 1020 C THR A 70 26.957 2.668 -3.705 1.00 4.22 C ATOM 1021 O THR A 70 25.970 1.995 -3.482 1.00 53.44 O ATOM 1022 CB THR A 70 27.916 4.719 -2.513 1.00 30.13 C ATOM 1023 OG1 THR A 70 27.414 5.938 -1.957 1.00 24.43 O ATOM 1024 CG2 THR A 70 29.260 5.014 -3.181 1.00 34.03 C ATOM 0 H THR A 70 25.438 4.309 -2.073 1.00 32.11 H new ATOM 0 HA THR A 70 27.108 4.713 -4.466 1.00 61.43 H new ATOM 0 HB THR A 70 28.068 3.959 -1.747 1.00 30.13 H new ATOM 0 HG1 THR A 70 26.730 5.734 -1.286 1.00 24.43 H new ATOM 0 HG21 THR A 70 29.964 5.384 -2.435 1.00 34.03 H new ATOM 0 HG22 THR A 70 29.652 4.101 -3.628 1.00 34.03 H new ATOM 0 HG23 THR A 70 29.123 5.768 -3.956 1.00 34.03 H new ATOM 1032 N LEU A 71 28.048 2.131 -4.117 1.00 74.44 N ATOM 1033 CA LEU A 71 28.057 0.724 -4.463 1.00 25.42 C ATOM 1034 C LEU A 71 28.187 -0.213 -3.280 1.00 11.43 C ATOM 1035 O LEU A 71 27.574 -1.275 -3.235 1.00 52.21 O ATOM 1036 CB LEU A 71 29.077 0.358 -5.540 1.00 74.42 C ATOM 1037 CG LEU A 71 29.012 1.146 -6.858 1.00 12.42 C ATOM 1038 CD1 LEU A 71 27.586 1.342 -7.304 1.00 15.54 C ATOM 1039 CD2 LEU A 71 29.698 2.463 -6.745 1.00 2.23 C ATOM 0 H LEU A 71 28.938 2.617 -4.227 1.00 74.44 H new ATOM 0 HA LEU A 71 27.062 0.574 -4.882 1.00 25.42 H new ATOM 0 HB2 LEU A 71 30.074 0.484 -5.119 1.00 74.42 H new ATOM 0 HB3 LEU A 71 28.960 -0.701 -5.772 1.00 74.42 H new ATOM 0 HG LEU A 71 29.535 0.554 -7.610 1.00 12.42 H new ATOM 0 HD11 LEU A 71 27.571 1.902 -8.239 1.00 15.54 H new ATOM 0 HD12 LEU A 71 27.115 0.371 -7.456 1.00 15.54 H new ATOM 0 HD13 LEU A 71 27.039 1.895 -6.541 1.00 15.54 H new ATOM 0 HD21 LEU A 71 29.631 2.991 -7.696 1.00 2.23 H new ATOM 0 HD22 LEU A 71 29.220 3.057 -5.966 1.00 2.23 H new ATOM 0 HD23 LEU A 71 30.746 2.307 -6.490 1.00 2.23 H new ATOM 1051 N ARG A 72 28.944 0.215 -2.311 1.00 63.34 N ATOM 1052 CA ARG A 72 29.414 -0.649 -1.247 1.00 43.53 C ATOM 1053 C ARG A 72 28.314 -1.027 -0.275 1.00 12.22 C ATOM 1054 O ARG A 72 28.368 -2.086 0.331 1.00 31.23 O ATOM 1055 CB ARG A 72 30.604 0.013 -0.545 1.00 21.35 C ATOM 1056 CG ARG A 72 31.260 -0.827 0.536 1.00 43.02 C ATOM 1057 CD ARG A 72 32.512 -0.148 1.070 1.00 62.52 C ATOM 1058 NE ARG A 72 33.543 0.015 0.017 1.00 1.24 N ATOM 1059 CZ ARG A 72 34.581 0.869 0.061 1.00 55.03 C ATOM 1060 NH1 ARG A 72 34.744 1.683 1.113 1.00 53.05 N ATOM 1061 NH2 ARG A 72 35.449 0.903 -0.950 1.00 21.35 N ATOM 0 H ARG A 72 29.260 1.181 -2.229 1.00 63.34 H new ATOM 0 HA ARG A 72 29.744 -1.590 -1.688 1.00 43.53 H new ATOM 0 HB2 ARG A 72 31.355 0.264 -1.294 1.00 21.35 H new ATOM 0 HB3 ARG A 72 30.269 0.951 -0.102 1.00 21.35 H new ATOM 0 HG2 ARG A 72 30.555 -0.991 1.351 1.00 43.02 H new ATOM 0 HG3 ARG A 72 31.517 -1.807 0.134 1.00 43.02 H new ATOM 0 HD2 ARG A 72 32.250 0.829 1.476 1.00 62.52 H new ATOM 0 HD3 ARG A 72 32.922 -0.736 1.892 1.00 62.52 H new ATOM 0 HE ARG A 72 33.458 -0.572 -0.813 1.00 1.24 H new ATOM 0 HH11 ARG A 72 34.079 1.657 1.886 1.00 53.05 H new ATOM 0 HH12 ARG A 72 35.533 2.329 1.141 1.00 53.05 H new ATOM 0 HH21 ARG A 72 35.324 0.284 -1.751 1.00 21.35 H new ATOM 0 HH22 ARG A 72 36.238 1.548 -0.923 1.00 21.35 H new ATOM 1075 N GLU A 73 27.324 -0.188 -0.159 1.00 53.21 N ATOM 1076 CA GLU A 73 26.202 -0.413 0.735 1.00 15.33 C ATOM 1077 C GLU A 73 25.447 -1.663 0.332 1.00 74.22 C ATOM 1078 O GLU A 73 25.153 -2.537 1.157 1.00 53.41 O ATOM 1079 CB GLU A 73 25.265 0.792 0.729 1.00 10.24 C ATOM 1080 CG GLU A 73 25.968 2.100 1.023 1.00 13.31 C ATOM 1081 CD GLU A 73 26.515 2.794 -0.174 1.00 4.14 C ATOM 1082 OE1 GLU A 73 27.568 2.344 -0.725 1.00 14.03 O ATOM 1083 OE2 GLU A 73 25.932 3.807 -0.573 1.00 23.03 O ATOM 0 H GLU A 73 27.264 0.684 -0.685 1.00 53.21 H new ATOM 0 HA GLU A 73 26.589 -0.549 1.745 1.00 15.33 H new ATOM 0 HB2 GLU A 73 24.778 0.860 -0.244 1.00 10.24 H new ATOM 0 HB3 GLU A 73 24.479 0.636 1.468 1.00 10.24 H new ATOM 0 HG2 GLU A 73 25.268 2.768 1.525 1.00 13.31 H new ATOM 0 HG3 GLU A 73 26.784 1.910 1.720 1.00 13.31 H new ATOM 1090 N LEU A 74 25.216 -1.775 -0.952 1.00 4.21 N ATOM 1091 CA LEU A 74 24.484 -2.922 -1.506 1.00 2.41 C ATOM 1092 C LEU A 74 25.309 -4.196 -1.416 1.00 33.53 C ATOM 1093 O LEU A 74 24.768 -5.285 -1.433 1.00 64.10 O ATOM 1094 CB LEU A 74 24.047 -2.716 -2.964 1.00 50.41 C ATOM 1095 CG LEU A 74 23.256 -1.457 -3.279 1.00 34.24 C ATOM 1096 CD1 LEU A 74 24.179 -0.327 -3.648 1.00 51.13 C ATOM 1097 CD2 LEU A 74 22.225 -1.703 -4.358 1.00 24.44 C ATOM 0 H LEU A 74 25.519 -1.092 -1.647 1.00 4.21 H new ATOM 0 HA LEU A 74 23.585 -3.013 -0.896 1.00 2.41 H new ATOM 0 HB2 LEU A 74 24.940 -2.719 -3.588 1.00 50.41 H new ATOM 0 HB3 LEU A 74 23.447 -3.576 -3.262 1.00 50.41 H new ATOM 0 HG LEU A 74 22.714 -1.169 -2.378 1.00 34.24 H new ATOM 0 HD11 LEU A 74 23.592 0.564 -3.870 1.00 51.13 H new ATOM 0 HD12 LEU A 74 24.852 -0.121 -2.816 1.00 51.13 H new ATOM 0 HD13 LEU A 74 24.762 -0.605 -4.526 1.00 51.13 H new ATOM 0 HD21 LEU A 74 21.679 -0.781 -4.557 1.00 24.44 H new ATOM 0 HD22 LEU A 74 22.724 -2.033 -5.269 1.00 24.44 H new ATOM 0 HD23 LEU A 74 21.528 -2.473 -4.027 1.00 24.44 H new ATOM 1109 N TYR A 75 26.614 -4.037 -1.338 1.00 22.13 N ATOM 1110 CA TYR A 75 27.532 -5.165 -1.213 1.00 33.51 C ATOM 1111 C TYR A 75 27.695 -5.581 0.217 1.00 60.51 C ATOM 1112 O TYR A 75 27.998 -6.734 0.500 1.00 13.43 O ATOM 1113 CB TYR A 75 28.894 -4.816 -1.784 1.00 20.44 C ATOM 1114 CG TYR A 75 28.923 -4.799 -3.266 1.00 53.05 C ATOM 1115 CD1 TYR A 75 28.664 -5.946 -3.975 1.00 52.20 C ATOM 1116 CD2 TYR A 75 29.228 -3.655 -3.955 1.00 12.32 C ATOM 1117 CE1 TYR A 75 28.700 -5.949 -5.350 1.00 71.52 C ATOM 1118 CE2 TYR A 75 29.269 -3.641 -5.326 1.00 52.32 C ATOM 1119 CZ TYR A 75 29.002 -4.793 -6.017 1.00 5.34 C ATOM 1120 OH TYR A 75 29.029 -4.789 -7.373 1.00 63.40 O ATOM 0 H TYR A 75 27.074 -3.127 -1.359 1.00 22.13 H new ATOM 0 HA TYR A 75 27.101 -5.993 -1.776 1.00 33.51 H new ATOM 0 HB2 TYR A 75 29.197 -3.838 -1.411 1.00 20.44 H new ATOM 0 HB3 TYR A 75 29.627 -5.536 -1.422 1.00 20.44 H new ATOM 0 HD1 TYR A 75 28.429 -6.858 -3.446 1.00 52.20 H new ATOM 0 HD2 TYR A 75 29.440 -2.748 -3.409 1.00 12.32 H new ATOM 0 HE1 TYR A 75 28.492 -6.856 -5.898 1.00 71.52 H new ATOM 0 HE2 TYR A 75 29.509 -2.731 -5.855 1.00 52.32 H new ATOM 0 HH TYR A 75 28.588 -5.596 -7.711 1.00 63.40 H new ATOM 1130 N ALA A 76 27.525 -4.642 1.115 1.00 14.42 N ATOM 1131 CA ALA A 76 27.670 -4.935 2.508 1.00 11.22 C ATOM 1132 C ALA A 76 26.443 -5.677 3.006 1.00 51.34 C ATOM 1133 O ALA A 76 26.541 -6.614 3.795 1.00 31.12 O ATOM 1134 CB ALA A 76 27.923 -3.673 3.317 1.00 35.42 C ATOM 0 H ALA A 76 27.287 -3.673 0.901 1.00 14.42 H new ATOM 0 HA ALA A 76 28.542 -5.576 2.641 1.00 11.22 H new ATOM 0 HB1 ALA A 76 28.028 -3.931 4.371 1.00 35.42 H new ATOM 0 HB2 ALA A 76 28.838 -3.194 2.968 1.00 35.42 H new ATOM 0 HB3 ALA A 76 27.085 -2.987 3.194 1.00 35.42 H new ATOM 1140 N ALA A 77 25.293 -5.259 2.530 1.00 32.52 N ATOM 1141 CA ALA A 77 24.065 -5.924 2.855 1.00 52.13 C ATOM 1142 C ALA A 77 23.296 -6.249 1.579 1.00 25.11 C ATOM 1143 O ALA A 77 22.398 -5.505 1.171 1.00 41.24 O ATOM 1144 CB ALA A 77 23.223 -5.092 3.818 1.00 71.24 C ATOM 0 H ALA A 77 25.188 -4.454 1.912 1.00 32.52 H new ATOM 0 HA ALA A 77 24.300 -6.859 3.363 1.00 52.13 H new ATOM 0 HB1 ALA A 77 22.299 -5.623 4.045 1.00 71.24 H new ATOM 0 HB2 ALA A 77 23.782 -4.926 4.739 1.00 71.24 H new ATOM 0 HB3 ALA A 77 22.987 -4.132 3.359 1.00 71.24 H new ATOM 1150 N PRO A 78 23.678 -7.320 0.875 1.00 33.31 N ATOM 1151 CA PRO A 78 23.017 -7.710 -0.336 1.00 60.33 C ATOM 1152 C PRO A 78 21.864 -8.642 -0.056 1.00 73.42 C ATOM 1153 O PRO A 78 22.022 -9.868 -0.022 1.00 53.52 O ATOM 1154 CB PRO A 78 24.114 -8.428 -1.140 1.00 31.13 C ATOM 1155 CG PRO A 78 25.296 -8.533 -0.209 1.00 71.01 C ATOM 1156 CD PRO A 78 24.794 -8.207 1.166 1.00 62.30 C ATOM 0 HA PRO A 78 22.588 -6.860 -0.867 1.00 60.33 H new ATOM 0 HB2 PRO A 78 23.781 -9.414 -1.464 1.00 31.13 H new ATOM 0 HB3 PRO A 78 24.372 -7.868 -2.039 1.00 31.13 H new ATOM 0 HG2 PRO A 78 25.723 -9.536 -0.237 1.00 71.01 H new ATOM 0 HG3 PRO A 78 26.085 -7.842 -0.506 1.00 71.01 H new ATOM 0 HD2 PRO A 78 24.477 -9.098 1.707 1.00 62.30 H new ATOM 0 HD3 PRO A 78 25.556 -7.719 1.774 1.00 62.30 H new ATOM 1164 N THR A 79 20.734 -8.054 0.195 1.00 32.30 N ATOM 1165 CA THR A 79 19.503 -8.742 0.445 1.00 23.05 C ATOM 1166 C THR A 79 18.432 -7.845 -0.127 1.00 51.22 C ATOM 1167 O THR A 79 18.601 -6.620 -0.104 1.00 13.23 O ATOM 1168 CB THR A 79 19.240 -8.925 1.986 1.00 43.34 C ATOM 1169 OG1 THR A 79 19.187 -7.650 2.630 1.00 14.22 O ATOM 1170 CG2 THR A 79 20.318 -9.756 2.664 1.00 4.33 C ATOM 0 H THR A 79 20.640 -7.039 0.233 1.00 32.30 H new ATOM 0 HA THR A 79 19.521 -9.738 0.003 1.00 23.05 H new ATOM 0 HB THR A 79 18.289 -9.449 2.080 1.00 43.34 H new ATOM 0 HG1 THR A 79 19.021 -7.774 3.588 1.00 14.22 H new ATOM 0 HG21 THR A 79 20.089 -9.852 3.725 1.00 4.33 H new ATOM 0 HG22 THR A 79 20.354 -10.746 2.209 1.00 4.33 H new ATOM 0 HG23 THR A 79 21.284 -9.266 2.544 1.00 4.33 H new ATOM 1178 N LEU A 80 17.350 -8.391 -0.651 1.00 34.21 N ATOM 1179 CA LEU A 80 16.304 -7.524 -1.186 1.00 51.03 C ATOM 1180 C LEU A 80 15.670 -6.751 -0.076 1.00 52.25 C ATOM 1181 O LEU A 80 15.195 -5.647 -0.276 1.00 14.52 O ATOM 1182 CB LEU A 80 15.238 -8.278 -1.918 1.00 51.31 C ATOM 1183 CG LEU A 80 15.686 -9.099 -3.092 1.00 1.33 C ATOM 1184 CD1 LEU A 80 14.488 -9.763 -3.711 1.00 71.14 C ATOM 1185 CD2 LEU A 80 16.386 -8.242 -4.130 1.00 25.04 C ATOM 0 H LEU A 80 17.170 -9.393 -0.719 1.00 34.21 H new ATOM 0 HA LEU A 80 16.787 -6.857 -1.900 1.00 51.03 H new ATOM 0 HB2 LEU A 80 14.740 -8.939 -1.209 1.00 51.31 H new ATOM 0 HB3 LEU A 80 14.492 -7.563 -2.266 1.00 51.31 H new ATOM 0 HG LEU A 80 16.395 -9.849 -2.741 1.00 1.33 H new ATOM 0 HD11 LEU A 80 14.805 -10.362 -4.565 1.00 71.14 H new ATOM 0 HD12 LEU A 80 14.008 -10.407 -2.974 1.00 71.14 H new ATOM 0 HD13 LEU A 80 13.782 -9.002 -4.043 1.00 71.14 H new ATOM 0 HD21 LEU A 80 16.698 -8.867 -4.967 1.00 25.04 H new ATOM 0 HD22 LEU A 80 15.702 -7.472 -4.487 1.00 25.04 H new ATOM 0 HD23 LEU A 80 17.261 -7.771 -3.683 1.00 25.04 H new ATOM 1197 N ALA A 81 15.679 -7.351 1.095 1.00 71.30 N ATOM 1198 CA ALA A 81 15.176 -6.716 2.306 1.00 21.32 C ATOM 1199 C ALA A 81 15.909 -5.392 2.564 1.00 35.31 C ATOM 1200 O ALA A 81 15.277 -4.340 2.706 1.00 20.30 O ATOM 1201 CB ALA A 81 15.324 -7.652 3.500 1.00 32.10 C ATOM 0 H ALA A 81 16.035 -8.296 1.240 1.00 71.30 H new ATOM 0 HA ALA A 81 14.117 -6.500 2.168 1.00 21.32 H new ATOM 0 HB1 ALA A 81 14.943 -7.162 4.396 1.00 32.10 H new ATOM 0 HB2 ALA A 81 14.758 -8.566 3.318 1.00 32.10 H new ATOM 0 HB3 ALA A 81 16.376 -7.899 3.641 1.00 32.10 H new ATOM 1207 N ALA A 82 17.241 -5.439 2.565 1.00 34.33 N ATOM 1208 CA ALA A 82 18.037 -4.242 2.789 1.00 61.11 C ATOM 1209 C ALA A 82 17.930 -3.293 1.613 1.00 13.32 C ATOM 1210 O ALA A 82 17.912 -2.099 1.794 1.00 74.33 O ATOM 1211 CB ALA A 82 19.490 -4.580 3.068 1.00 11.01 C ATOM 0 H ALA A 82 17.785 -6.289 2.414 1.00 34.33 H new ATOM 0 HA ALA A 82 17.635 -3.746 3.672 1.00 61.11 H new ATOM 0 HB1 ALA A 82 20.053 -3.661 3.230 1.00 11.01 H new ATOM 0 HB2 ALA A 82 19.554 -5.206 3.958 1.00 11.01 H new ATOM 0 HB3 ALA A 82 19.909 -5.116 2.217 1.00 11.01 H new ATOM 1217 N TRP A 83 17.828 -3.832 0.409 1.00 32.13 N ATOM 1218 CA TRP A 83 17.711 -2.995 -0.788 1.00 71.31 C ATOM 1219 C TRP A 83 16.374 -2.249 -0.822 1.00 61.43 C ATOM 1220 O TRP A 83 16.309 -1.109 -1.262 1.00 42.23 O ATOM 1221 CB TRP A 83 17.943 -3.801 -2.076 1.00 74.20 C ATOM 1222 CG TRP A 83 19.360 -4.322 -2.250 1.00 21.42 C ATOM 1223 CD1 TRP A 83 20.342 -4.423 -1.295 1.00 22.44 C ATOM 1224 CD2 TRP A 83 19.938 -4.822 -3.457 1.00 62.54 C ATOM 1225 NE1 TRP A 83 21.478 -4.959 -1.835 1.00 3.42 N ATOM 1226 CE2 TRP A 83 21.261 -5.213 -3.163 1.00 53.22 C ATOM 1227 CE3 TRP A 83 19.465 -4.977 -4.758 1.00 31.44 C ATOM 1228 CZ2 TRP A 83 22.109 -5.752 -4.125 1.00 13.45 C ATOM 1229 CZ3 TRP A 83 20.306 -5.510 -5.712 1.00 22.32 C ATOM 1230 CH2 TRP A 83 21.614 -5.893 -5.392 1.00 43.10 C ATOM 0 H TRP A 83 17.823 -4.836 0.228 1.00 32.13 H new ATOM 0 HA TRP A 83 18.501 -2.246 -0.735 1.00 71.31 H new ATOM 0 HB2 TRP A 83 17.255 -4.646 -2.089 1.00 74.20 H new ATOM 0 HB3 TRP A 83 17.693 -3.174 -2.932 1.00 74.20 H new ATOM 0 HD1 TRP A 83 20.232 -4.122 -0.264 1.00 22.44 H new ATOM 0 HE1 TRP A 83 22.346 -5.140 -1.331 1.00 3.42 H new ATOM 0 HE3 TRP A 83 18.457 -4.685 -5.015 1.00 31.44 H new ATOM 0 HZ2 TRP A 83 23.119 -6.048 -3.881 1.00 13.45 H new ATOM 0 HZ3 TRP A 83 19.949 -5.634 -6.724 1.00 22.32 H new ATOM 0 HH2 TRP A 83 22.246 -6.309 -6.163 1.00 43.10 H new ATOM 1241 N ASN A 84 15.324 -2.897 -0.328 1.00 71.42 N ATOM 1242 CA ASN A 84 13.981 -2.293 -0.195 1.00 64.10 C ATOM 1243 C ASN A 84 14.091 -1.093 0.767 1.00 63.11 C ATOM 1244 O ASN A 84 13.512 -0.025 0.550 1.00 32.12 O ATOM 1245 CB ASN A 84 13.020 -3.375 0.372 1.00 53.44 C ATOM 1246 CG ASN A 84 11.518 -3.051 0.344 1.00 31.23 C ATOM 1247 OD1 ASN A 84 11.081 -1.896 0.445 1.00 24.21 O ATOM 1248 ND2 ASN A 84 10.719 -4.100 0.223 1.00 24.31 N ATOM 0 H ASN A 84 15.370 -3.863 -0.003 1.00 71.42 H new ATOM 0 HA ASN A 84 13.596 -1.945 -1.153 1.00 64.10 H new ATOM 0 HB2 ASN A 84 13.179 -4.297 -0.187 1.00 53.44 H new ATOM 0 HB3 ASN A 84 13.305 -3.575 1.405 1.00 53.44 H new ATOM 0 HD21 ASN A 84 9.707 -3.972 0.211 1.00 24.31 H new ATOM 0 HD22 ASN A 84 11.115 -5.036 0.142 1.00 24.31 H new ATOM 1255 N GLN A 85 14.903 -1.280 1.798 1.00 71.10 N ATOM 1256 CA GLN A 85 15.190 -0.256 2.787 1.00 3.44 C ATOM 1257 C GLN A 85 16.063 0.855 2.167 1.00 2.23 C ATOM 1258 O GLN A 85 15.797 2.054 2.359 1.00 33.04 O ATOM 1259 CB GLN A 85 15.873 -0.919 3.990 1.00 3.55 C ATOM 1260 CG GLN A 85 16.280 0.009 5.113 1.00 60.13 C ATOM 1261 CD GLN A 85 16.770 -0.764 6.322 1.00 54.31 C ATOM 1262 OE1 GLN A 85 15.982 -1.103 7.191 1.00 75.34 O ATOM 1263 NE2 GLN A 85 18.053 -1.038 6.383 1.00 44.43 N ATOM 0 H GLN A 85 15.387 -2.161 1.972 1.00 71.10 H new ATOM 0 HA GLN A 85 14.268 0.217 3.125 1.00 3.44 H new ATOM 0 HB2 GLN A 85 15.199 -1.674 4.395 1.00 3.55 H new ATOM 0 HB3 GLN A 85 16.762 -1.441 3.636 1.00 3.55 H new ATOM 0 HG2 GLN A 85 17.066 0.680 4.766 1.00 60.13 H new ATOM 0 HG3 GLN A 85 15.432 0.632 5.397 1.00 60.13 H new ATOM 0 HE21 GLN A 85 18.675 -0.735 5.634 1.00 44.43 H new ATOM 0 HE22 GLN A 85 18.427 -1.554 7.180 1.00 44.43 H new ATOM 1272 N LEU A 86 17.079 0.444 1.401 1.00 15.23 N ATOM 1273 CA LEU A 86 17.977 1.357 0.678 1.00 15.11 C ATOM 1274 C LEU A 86 17.209 2.251 -0.280 1.00 4.30 C ATOM 1275 O LEU A 86 17.595 3.384 -0.527 1.00 25.44 O ATOM 1276 CB LEU A 86 19.036 0.582 -0.109 1.00 22.10 C ATOM 1277 CG LEU A 86 20.084 -0.170 0.708 1.00 63.35 C ATOM 1278 CD1 LEU A 86 20.984 -0.953 -0.210 1.00 11.21 C ATOM 1279 CD2 LEU A 86 20.923 0.790 1.519 1.00 24.34 C ATOM 0 H LEU A 86 17.305 -0.541 1.263 1.00 15.23 H new ATOM 0 HA LEU A 86 18.465 1.977 1.430 1.00 15.11 H new ATOM 0 HB2 LEU A 86 18.525 -0.136 -0.751 1.00 22.10 H new ATOM 0 HB3 LEU A 86 19.554 1.283 -0.764 1.00 22.10 H new ATOM 0 HG LEU A 86 19.564 -0.847 1.386 1.00 63.35 H new ATOM 0 HD11 LEU A 86 21.729 -1.487 0.380 1.00 11.21 H new ATOM 0 HD12 LEU A 86 20.390 -1.669 -0.778 1.00 11.21 H new ATOM 0 HD13 LEU A 86 21.485 -0.271 -0.897 1.00 11.21 H new ATOM 0 HD21 LEU A 86 21.663 0.232 2.093 1.00 24.34 H new ATOM 0 HD22 LEU A 86 21.431 1.484 0.850 1.00 24.34 H new ATOM 0 HD23 LEU A 86 20.281 1.348 2.200 1.00 24.34 H new ATOM 1291 N MET A 87 16.125 1.728 -0.821 1.00 31.53 N ATOM 1292 CA MET A 87 15.286 2.494 -1.716 1.00 54.13 C ATOM 1293 C MET A 87 14.664 3.677 -1.014 1.00 60.40 C ATOM 1294 O MET A 87 14.991 4.827 -1.275 1.00 64.23 O ATOM 1295 CB MET A 87 14.144 1.647 -2.256 1.00 74.43 C ATOM 1296 CG MET A 87 14.540 0.618 -3.255 1.00 12.23 C ATOM 1297 SD MET A 87 13.115 -0.233 -3.916 1.00 3.20 S ATOM 1298 CE MET A 87 13.926 -1.195 -5.155 1.00 21.33 C ATOM 0 H MET A 87 15.806 0.774 -0.654 1.00 31.53 H new ATOM 0 HA MET A 87 15.933 2.831 -2.526 1.00 54.13 H new ATOM 0 HB2 MET A 87 13.654 1.149 -1.419 1.00 74.43 H new ATOM 0 HB3 MET A 87 13.406 2.307 -2.711 1.00 74.43 H new ATOM 0 HG2 MET A 87 15.092 1.091 -4.067 1.00 12.23 H new ATOM 0 HG3 MET A 87 15.212 -0.103 -2.790 1.00 12.23 H new ATOM 0 HE1 MET A 87 13.255 -1.338 -6.002 1.00 21.33 H new ATOM 0 HE2 MET A 87 14.825 -0.676 -5.488 1.00 21.33 H new ATOM 0 HE3 MET A 87 14.199 -2.166 -4.741 1.00 21.33 H new ATOM 1308 N LEU A 88 13.835 3.386 -0.068 1.00 30.11 N ATOM 1309 CA LEU A 88 13.037 4.395 0.541 1.00 12.43 C ATOM 1310 C LEU A 88 13.704 5.192 1.643 1.00 31.34 C ATOM 1311 O LEU A 88 13.519 6.411 1.724 1.00 10.35 O ATOM 1312 CB LEU A 88 11.658 3.871 0.868 1.00 43.42 C ATOM 1313 CG LEU A 88 11.586 2.477 1.410 1.00 70.34 C ATOM 1314 CD1 LEU A 88 11.860 2.443 2.885 1.00 34.41 C ATOM 1315 CD2 LEU A 88 10.275 1.882 1.035 1.00 3.13 C ATOM 0 H LEU A 88 13.692 2.447 0.303 1.00 30.11 H new ATOM 0 HA LEU A 88 12.908 5.170 -0.214 1.00 12.43 H new ATOM 0 HB2 LEU A 88 11.200 4.544 1.593 1.00 43.42 H new ATOM 0 HB3 LEU A 88 11.052 3.917 -0.037 1.00 43.42 H new ATOM 0 HG LEU A 88 12.370 1.864 0.965 1.00 70.34 H new ATOM 0 HD11 LEU A 88 11.799 1.415 3.243 1.00 34.41 H new ATOM 0 HD12 LEU A 88 12.858 2.836 3.079 1.00 34.41 H new ATOM 0 HD13 LEU A 88 11.122 3.053 3.406 1.00 34.41 H new ATOM 0 HD21 LEU A 88 10.212 0.866 1.425 1.00 3.13 H new ATOM 0 HD22 LEU A 88 9.469 2.483 1.456 1.00 3.13 H new ATOM 0 HD23 LEU A 88 10.183 1.860 -0.051 1.00 3.13 H new ATOM 1327 N SER A 89 14.521 4.556 2.434 1.00 74.52 N ATOM 1328 CA SER A 89 15.186 5.235 3.520 1.00 53.51 C ATOM 1329 C SER A 89 16.588 5.659 3.139 1.00 44.31 C ATOM 1330 O SER A 89 17.219 6.428 3.861 1.00 43.33 O ATOM 1331 CB SER A 89 15.243 4.329 4.717 1.00 63.24 C ATOM 1332 OG SER A 89 13.945 3.896 5.086 1.00 1.13 O ATOM 0 H SER A 89 14.746 3.565 2.350 1.00 74.52 H new ATOM 0 HA SER A 89 14.616 6.134 3.755 1.00 53.51 H new ATOM 0 HB2 SER A 89 15.869 3.465 4.495 1.00 63.24 H new ATOM 0 HB3 SER A 89 15.707 4.853 5.553 1.00 63.24 H new ATOM 0 HG SER A 89 14.006 3.306 5.866 1.00 1.13 H new ATOM 1338 N ARG A 90 17.057 5.176 1.992 1.00 55.52 N ATOM 1339 CA ARG A 90 18.411 5.407 1.496 1.00 72.21 C ATOM 1340 C ARG A 90 19.472 4.755 2.342 1.00 70.04 C ATOM 1341 O ARG A 90 20.115 3.821 1.907 1.00 32.24 O ATOM 1342 CB ARG A 90 18.725 6.881 1.193 1.00 21.32 C ATOM 1343 CG ARG A 90 18.096 7.422 -0.093 1.00 51.13 C ATOM 1344 CD ARG A 90 16.577 7.390 -0.089 1.00 33.31 C ATOM 1345 NE ARG A 90 16.017 7.949 -1.333 1.00 64.42 N ATOM 1346 CZ ARG A 90 14.736 8.296 -1.523 1.00 43.40 C ATOM 1347 NH1 ARG A 90 13.826 8.091 -0.561 1.00 23.04 N ATOM 1348 NH2 ARG A 90 14.362 8.818 -2.699 1.00 22.35 N ATOM 0 H ARG A 90 16.493 4.600 1.367 1.00 55.52 H new ATOM 0 HA ARG A 90 18.436 4.903 0.530 1.00 72.21 H new ATOM 0 HB2 ARG A 90 18.385 7.490 2.031 1.00 21.32 H new ATOM 0 HB3 ARG A 90 19.806 7.002 1.130 1.00 21.32 H new ATOM 0 HG2 ARG A 90 18.429 8.449 -0.246 1.00 51.13 H new ATOM 0 HG3 ARG A 90 18.461 6.839 -0.939 1.00 51.13 H new ATOM 0 HD2 ARG A 90 16.235 6.362 0.035 1.00 33.31 H new ATOM 0 HD3 ARG A 90 16.203 7.955 0.765 1.00 33.31 H new ATOM 0 HE ARG A 90 16.658 8.083 -2.115 1.00 64.42 H new ATOM 0 HH11 ARG A 90 14.106 7.668 0.324 1.00 23.04 H new ATOM 0 HH12 ARG A 90 12.853 8.358 -0.714 1.00 23.04 H new ATOM 0 HH21 ARG A 90 15.050 8.948 -3.441 1.00 22.35 H new ATOM 0 HH22 ARG A 90 13.390 9.085 -2.852 1.00 22.35 H new ATOM 1362 N SER A 91 19.610 5.207 3.543 1.00 50.33 N ATOM 1363 CA SER A 91 20.639 4.709 4.444 1.00 51.30 C ATOM 1364 C SER A 91 20.290 4.998 5.917 1.00 43.41 C ATOM 1365 O SER A 91 20.752 5.984 6.485 1.00 34.12 O ATOM 1366 CB SER A 91 22.026 5.318 4.114 1.00 34.11 C ATOM 1367 OG SER A 91 22.390 5.108 2.755 1.00 22.22 O ATOM 0 H SER A 91 19.019 5.935 3.945 1.00 50.33 H new ATOM 0 HA SER A 91 20.684 3.630 4.299 1.00 51.30 H new ATOM 0 HB2 SER A 91 22.012 6.387 4.325 1.00 34.11 H new ATOM 0 HB3 SER A 91 22.781 4.875 4.764 1.00 34.11 H new ATOM 0 HG SER A 91 23.269 5.508 2.586 1.00 22.22 H new ATOM 1373 N PRO A 92 19.361 4.231 6.513 1.00 42.03 N ATOM 1374 CA PRO A 92 19.121 4.294 7.959 1.00 30.24 C ATOM 1375 C PRO A 92 20.001 3.257 8.674 1.00 12.00 C ATOM 1376 O PRO A 92 20.112 3.235 9.902 1.00 32.33 O ATOM 1377 CB PRO A 92 17.653 3.890 8.055 1.00 10.42 C ATOM 1378 CG PRO A 92 17.478 2.886 6.962 1.00 2.31 C ATOM 1379 CD PRO A 92 18.410 3.307 5.841 1.00 3.23 C ATOM 0 HA PRO A 92 19.343 5.261 8.409 1.00 30.24 H new ATOM 0 HB2 PRO A 92 17.420 3.462 9.030 1.00 10.42 H new ATOM 0 HB3 PRO A 92 16.994 4.747 7.918 1.00 10.42 H new ATOM 0 HG2 PRO A 92 17.721 1.883 7.313 1.00 2.31 H new ATOM 0 HG3 PRO A 92 16.444 2.862 6.619 1.00 2.31 H new ATOM 0 HD2 PRO A 92 18.923 2.451 5.402 1.00 3.23 H new ATOM 0 HD3 PRO A 92 17.870 3.803 5.034 1.00 3.23 H new ATOM 1387 N GLU A 93 20.611 2.446 7.857 1.00 64.11 N ATOM 1388 CA GLU A 93 21.413 1.339 8.178 1.00 22.55 C ATOM 1389 C GLU A 93 22.179 1.125 6.895 1.00 31.03 C ATOM 1390 O GLU A 93 21.497 1.178 5.824 1.00 2.33 O ATOM 1391 CB GLU A 93 20.500 0.135 8.489 1.00 42.14 C ATOM 1392 CG GLU A 93 21.206 -1.181 8.781 1.00 74.41 C ATOM 1393 CD GLU A 93 20.218 -2.305 9.044 1.00 55.43 C ATOM 1394 OE1 GLU A 93 19.450 -2.662 8.108 1.00 63.31 O ATOM 1395 OE2 GLU A 93 20.181 -2.820 10.186 1.00 24.32 O ATOM 1396 OXT GLU A 93 23.410 0.997 6.929 1.00 37.11 O ATOM 0 H GLU A 93 20.540 2.573 6.848 1.00 64.11 H new ATOM 0 HA GLU A 93 22.061 1.471 9.045 1.00 22.55 H new ATOM 0 HB2 GLU A 93 19.878 0.389 9.347 1.00 42.14 H new ATOM 0 HB3 GLU A 93 19.830 -0.015 7.643 1.00 42.14 H new ATOM 0 HG2 GLU A 93 21.843 -1.447 7.937 1.00 74.41 H new ATOM 0 HG3 GLU A 93 21.858 -1.060 9.646 1.00 74.41 H new TER 1403 GLU A 93