USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 587 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 46 HIS : no HD1:sc= -3.55! K(o=-3.5!,f=-1.8) USER MOD Set 1.2: A 50 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 13 LYS NZ :NH3+ 164:sc= -0.148 (180deg=-0.554) USER MOD Set 2.2: A 43 TYR OH : rot 165:sc= -0.149 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 76:sc= 0.758 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0.0331 K(o=0.033,f=-2.4!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot 96:sc= -1.35 USER MOD Single : A 38 GLN : amide:sc= -0.264 K(o=-0.26,f=-0.81) USER MOD Single : A 39 HIS : no HD1:sc= -0.202 X(o=-0.2,f=-0.025) USER MOD Single : A 42 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.13) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.491 X(o=-0.49,f=-0.019) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot 150:sc= -1.34 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 74:sc= -1.31 USER MOD Single : A 74 LYS NZ :NH3+ 142:sc= 0.0947 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 135:sc= 0.577! USER MOD Single : A 80 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0399) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 10 -2.679 13.101 4.285 1.00 72.40 N ATOM 2 CA ASN A 10 -1.992 12.032 3.569 1.00 43.30 C ATOM 3 C ASN A 10 -2.351 10.669 4.151 1.00 52.00 C ATOM 4 O ASN A 10 -2.389 9.668 3.436 1.00 71.30 O ATOM 5 CB ASN A 10 -0.477 12.241 3.628 1.00 72.40 C ATOM 6 CG ASN A 10 -0.063 13.609 3.122 1.00 24.40 C ATOM 7 OD1 ASN A 10 0.130 14.541 3.903 1.00 43.30 O ATOM 8 ND2 ASN A 10 0.077 13.736 1.807 1.00 2.35 N ATOM 0 HA ASN A 10 -2.316 12.060 2.529 1.00 43.30 H new ATOM 0 HB2 ASN A 10 -0.136 12.118 4.656 1.00 72.40 H new ATOM 0 HB3 ASN A 10 0.017 11.472 3.034 1.00 72.40 H new ATOM 0 HD21 ASN A 10 0.355 14.633 1.408 1.00 2.35 H new ATOM 0 HD22 ASN A 10 -0.093 12.937 1.196 1.00 2.35 H new ATOM 15 N LEU A 11 -2.614 10.638 5.454 1.00 44.10 N ATOM 16 CA LEU A 11 -2.971 9.398 6.132 1.00 54.10 C ATOM 17 C LEU A 11 -4.338 8.901 5.675 1.00 61.40 C ATOM 18 O LEU A 11 -4.511 7.720 5.373 1.00 70.40 O ATOM 19 CB LEU A 11 -2.971 9.603 7.649 1.00 23.30 C ATOM 20 CG LEU A 11 -3.274 8.350 8.472 1.00 3.41 C ATOM 21 CD1 LEU A 11 -1.993 7.589 8.775 1.00 70.20 C ATOM 22 CD2 LEU A 11 -3.995 8.720 9.759 1.00 11.40 C ATOM 0 H LEU A 11 -2.586 11.458 6.061 1.00 44.10 H new ATOM 0 HA LEU A 11 -2.226 8.645 5.874 1.00 54.10 H new ATOM 0 HB2 LEU A 11 -1.996 9.989 7.948 1.00 23.30 H new ATOM 0 HB3 LEU A 11 -3.706 10.368 7.897 1.00 23.30 H new ATOM 0 HG LEU A 11 -3.927 7.702 7.887 1.00 3.41 H new ATOM 0 HD11 LEU A 11 -2.228 6.701 9.361 1.00 70.20 H new ATOM 0 HD12 LEU A 11 -1.517 7.292 7.841 1.00 70.20 H new ATOM 0 HD13 LEU A 11 -1.315 8.228 9.341 1.00 70.20 H new ATOM 0 HD21 LEU A 11 -4.203 7.817 10.332 1.00 11.40 H new ATOM 0 HD22 LEU A 11 -3.367 9.388 10.349 1.00 11.40 H new ATOM 0 HD23 LEU A 11 -4.933 9.221 9.519 1.00 11.40 H new ATOM 34 N GLN A 12 -5.306 9.810 5.624 1.00 31.40 N ATOM 35 CA GLN A 12 -6.659 9.463 5.203 1.00 1.51 C ATOM 36 C GLN A 12 -6.661 8.911 3.781 1.00 23.50 C ATOM 37 O GLN A 12 -7.444 8.020 3.452 1.00 73.40 O ATOM 38 CB GLN A 12 -7.571 10.688 5.289 1.00 65.30 C ATOM 39 CG GLN A 12 -9.052 10.349 5.237 1.00 51.30 C ATOM 40 CD GLN A 12 -9.908 11.533 4.832 1.00 42.40 C ATOM 41 OE1 GLN A 12 -9.792 12.620 5.399 1.00 55.10 O ATOM 42 NE2 GLN A 12 -10.770 11.328 3.848 1.00 62.00 N ATOM 0 H GLN A 12 -5.179 10.792 5.869 1.00 31.40 H new ATOM 0 HA GLN A 12 -7.036 8.690 5.873 1.00 1.51 H new ATOM 0 HB2 GLN A 12 -7.361 11.222 6.216 1.00 65.30 H new ATOM 0 HB3 GLN A 12 -7.333 11.366 4.469 1.00 65.30 H new ATOM 0 HG2 GLN A 12 -9.210 9.533 4.531 1.00 51.30 H new ATOM 0 HG3 GLN A 12 -9.373 9.991 6.215 1.00 51.30 H new ATOM 0 HE21 GLN A 12 -10.832 10.410 3.407 1.00 62.00 H new ATOM 0 HE22 GLN A 12 -11.372 12.088 3.531 1.00 62.00 H new ATOM 51 N LYS A 13 -5.780 9.446 2.942 1.00 74.00 N ATOM 52 CA LYS A 13 -5.680 9.007 1.556 1.00 73.00 C ATOM 53 C LYS A 13 -4.928 7.684 1.456 1.00 41.20 C ATOM 54 O LYS A 13 -5.195 6.872 0.571 1.00 52.40 O ATOM 55 CB LYS A 13 -4.978 10.072 0.711 1.00 61.30 C ATOM 56 CG LYS A 13 -5.249 9.943 -0.780 1.00 55.10 C ATOM 57 CD LYS A 13 -4.073 9.313 -1.509 1.00 44.30 C ATOM 58 CE LYS A 13 -4.335 9.210 -3.003 1.00 53.30 C ATOM 59 NZ LYS A 13 -4.850 10.489 -3.566 1.00 45.50 N ATOM 0 H LYS A 13 -5.125 10.185 3.199 1.00 74.00 H new ATOM 0 HA LYS A 13 -6.690 8.859 1.175 1.00 73.00 H new ATOM 0 HB2 LYS A 13 -5.298 11.059 1.046 1.00 61.30 H new ATOM 0 HB3 LYS A 13 -3.903 10.010 0.883 1.00 61.30 H new ATOM 0 HG2 LYS A 13 -6.142 9.338 -0.937 1.00 55.10 H new ATOM 0 HG3 LYS A 13 -5.453 10.928 -1.200 1.00 55.10 H new ATOM 0 HD2 LYS A 13 -3.176 9.907 -1.336 1.00 44.30 H new ATOM 0 HD3 LYS A 13 -3.881 8.320 -1.103 1.00 44.30 H new ATOM 0 HE2 LYS A 13 -3.413 8.933 -3.515 1.00 53.30 H new ATOM 0 HE3 LYS A 13 -5.056 8.414 -3.191 1.00 53.30 H new ATOM 0 HZ1 LYS A 13 -4.761 10.473 -4.602 1.00 45.50 H new ATOM 0 HZ2 LYS A 13 -5.850 10.605 -3.306 1.00 45.50 H new ATOM 0 HZ3 LYS A 13 -4.299 11.284 -3.183 1.00 45.50 H new ATOM 73 N ALA A 14 -3.986 7.475 2.371 1.00 43.00 N ATOM 74 CA ALA A 14 -3.195 6.251 2.386 1.00 53.40 C ATOM 75 C ALA A 14 -4.061 5.042 2.723 1.00 21.00 C ATOM 76 O ALA A 14 -3.881 3.961 2.162 1.00 45.10 O ATOM 77 CB ALA A 14 -2.050 6.375 3.380 1.00 50.30 C ATOM 0 H ALA A 14 -3.753 8.137 3.111 1.00 43.00 H new ATOM 0 HA ALA A 14 -2.782 6.103 1.388 1.00 53.40 H new ATOM 0 HB1 ALA A 14 -1.468 5.454 3.381 1.00 50.30 H new ATOM 0 HB2 ALA A 14 -1.409 7.209 3.095 1.00 50.30 H new ATOM 0 HB3 ALA A 14 -2.452 6.551 4.378 1.00 50.30 H new ATOM 83 N ILE A 15 -5.001 5.232 3.643 1.00 44.40 N ATOM 84 CA ILE A 15 -5.896 4.156 4.054 1.00 30.10 C ATOM 85 C ILE A 15 -6.971 3.904 3.003 1.00 34.20 C ATOM 86 O ILE A 15 -7.406 2.769 2.806 1.00 50.30 O ATOM 87 CB ILE A 15 -6.574 4.474 5.401 1.00 43.00 C ATOM 88 CG1 ILE A 15 -5.533 4.912 6.432 1.00 53.50 C ATOM 89 CG2 ILE A 15 -7.348 3.263 5.903 1.00 42.10 C ATOM 90 CD1 ILE A 15 -6.127 5.638 7.619 1.00 2.23 C ATOM 0 H ILE A 15 -5.163 6.120 4.118 1.00 44.40 H new ATOM 0 HA ILE A 15 -5.285 3.261 4.166 1.00 30.10 H new ATOM 0 HB ILE A 15 -7.276 5.294 5.252 1.00 43.00 H new ATOM 0 HG12 ILE A 15 -4.993 4.034 6.786 1.00 53.50 H new ATOM 0 HG13 ILE A 15 -4.804 5.561 5.947 1.00 53.50 H new ATOM 0 HG21 ILE A 15 -7.821 3.503 6.855 1.00 42.10 H new ATOM 0 HG22 ILE A 15 -8.113 2.993 5.175 1.00 42.10 H new ATOM 0 HG23 ILE A 15 -6.664 2.425 6.039 1.00 42.10 H new ATOM 0 HD11 ILE A 15 -5.331 5.919 8.309 1.00 2.23 H new ATOM 0 HD12 ILE A 15 -6.643 6.535 7.276 1.00 2.23 H new ATOM 0 HD13 ILE A 15 -6.835 4.984 8.128 1.00 2.23 H new ATOM 102 N ASP A 16 -7.395 4.968 2.330 1.00 73.50 N ATOM 103 CA ASP A 16 -8.420 4.862 1.298 1.00 60.30 C ATOM 104 C ASP A 16 -7.966 3.936 0.174 1.00 5.23 C ATOM 105 O ASP A 16 -8.749 3.139 -0.343 1.00 72.10 O ATOM 106 CB ASP A 16 -8.750 6.244 0.733 1.00 34.40 C ATOM 107 CG ASP A 16 -10.160 6.324 0.189 1.00 23.10 C ATOM 108 OD1 ASP A 16 -10.400 5.803 -0.920 1.00 11.20 O ATOM 109 OD2 ASP A 16 -11.030 6.908 0.873 1.00 44.30 O ATOM 0 H ASP A 16 -7.045 5.914 2.481 1.00 73.50 H new ATOM 0 HA ASP A 16 -9.316 4.440 1.753 1.00 60.30 H new ATOM 0 HB2 ASP A 16 -8.622 6.993 1.515 1.00 34.40 H new ATOM 0 HB3 ASP A 16 -8.043 6.487 -0.060 1.00 34.40 H new ATOM 114 N LEU A 17 -6.695 4.046 -0.199 1.00 63.20 N ATOM 115 CA LEU A 17 -6.136 3.218 -1.262 1.00 1.22 C ATOM 116 C LEU A 17 -5.923 1.787 -0.781 1.00 62.30 C ATOM 117 O LEU A 17 -6.212 0.830 -1.501 1.00 54.30 O ATOM 118 CB LEU A 17 -4.811 3.807 -1.752 1.00 53.30 C ATOM 119 CG LEU A 17 -4.902 5.227 -2.313 1.00 11.30 C ATOM 120 CD1 LEU A 17 -3.633 6.005 -2.004 1.00 54.00 C ATOM 121 CD2 LEU A 17 -5.155 5.190 -3.813 1.00 21.40 C ATOM 0 H LEU A 17 -6.033 4.700 0.219 1.00 63.20 H new ATOM 0 HA LEU A 17 -6.846 3.202 -2.089 1.00 1.22 H new ATOM 0 HB2 LEU A 17 -4.102 3.804 -0.924 1.00 53.30 H new ATOM 0 HB3 LEU A 17 -4.403 3.153 -2.523 1.00 53.30 H new ATOM 0 HG LEU A 17 -5.740 5.734 -1.835 1.00 11.30 H new ATOM 0 HD11 LEU A 17 -3.716 7.013 -2.411 1.00 54.00 H new ATOM 0 HD12 LEU A 17 -3.494 6.060 -0.924 1.00 54.00 H new ATOM 0 HD13 LEU A 17 -2.778 5.501 -2.455 1.00 54.00 H new ATOM 0 HD21 LEU A 17 -5.217 6.208 -4.197 1.00 21.40 H new ATOM 0 HD22 LEU A 17 -4.337 4.665 -4.307 1.00 21.40 H new ATOM 0 HD23 LEU A 17 -6.092 4.670 -4.011 1.00 21.40 H new ATOM 133 N ALA A 18 -5.416 1.647 0.439 1.00 52.10 N ATOM 134 CA ALA A 18 -5.164 0.332 1.015 1.00 11.30 C ATOM 135 C ALA A 18 -6.450 -0.482 1.109 1.00 4.20 C ATOM 136 O ALA A 18 -6.473 -1.666 0.774 1.00 53.30 O ATOM 137 CB ALA A 18 -4.525 0.472 2.389 1.00 53.20 C ATOM 0 H ALA A 18 -5.172 2.428 1.048 1.00 52.10 H new ATOM 0 HA ALA A 18 -4.476 -0.199 0.358 1.00 11.30 H new ATOM 0 HB1 ALA A 18 -4.342 -0.518 2.808 1.00 53.20 H new ATOM 0 HB2 ALA A 18 -3.580 1.008 2.298 1.00 53.20 H new ATOM 0 HB3 ALA A 18 -5.194 1.026 3.047 1.00 53.20 H new ATOM 143 N SER A 19 -7.519 0.161 1.567 1.00 13.20 N ATOM 144 CA SER A 19 -8.810 -0.503 1.704 1.00 5.51 C ATOM 145 C SER A 19 -9.305 -1.015 0.356 1.00 54.40 C ATOM 146 O SER A 19 -9.727 -2.165 0.234 1.00 41.00 O ATOM 147 CB SER A 19 -9.838 0.455 2.308 1.00 41.00 C ATOM 148 OG SER A 19 -9.437 0.891 3.595 1.00 1.14 O ATOM 0 H SER A 19 -7.517 1.141 1.850 1.00 13.20 H new ATOM 0 HA SER A 19 -8.683 -1.356 2.371 1.00 5.51 H new ATOM 0 HB2 SER A 19 -9.965 1.317 1.653 1.00 41.00 H new ATOM 0 HB3 SER A 19 -10.806 -0.041 2.374 1.00 41.00 H new ATOM 0 HG SER A 19 -8.723 1.557 3.507 1.00 1.14 H new ATOM 154 N LYS A 20 -9.250 -0.154 -0.655 1.00 24.20 N ATOM 155 CA LYS A 20 -9.692 -0.519 -1.995 1.00 74.20 C ATOM 156 C LYS A 20 -8.721 -1.503 -2.640 1.00 23.40 C ATOM 157 O LYS A 20 -9.130 -2.410 -3.364 1.00 30.20 O ATOM 158 CB LYS A 20 -9.826 0.730 -2.869 1.00 73.30 C ATOM 159 CG LYS A 20 -10.970 0.655 -3.866 1.00 53.10 C ATOM 160 CD LYS A 20 -10.930 1.814 -4.848 1.00 31.20 C ATOM 161 CE LYS A 20 -10.170 1.445 -6.115 1.00 12.20 C ATOM 162 NZ LYS A 20 -10.710 2.154 -7.309 1.00 4.53 N ATOM 0 H LYS A 20 -8.903 0.802 -0.571 1.00 24.20 H new ATOM 0 HA LYS A 20 -10.666 -1.001 -1.910 1.00 74.20 H new ATOM 0 HB2 LYS A 20 -9.971 1.599 -2.227 1.00 73.30 H new ATOM 0 HB3 LYS A 20 -8.893 0.886 -3.410 1.00 73.30 H new ATOM 0 HG2 LYS A 20 -10.917 -0.287 -4.411 1.00 53.10 H new ATOM 0 HG3 LYS A 20 -11.920 0.662 -3.332 1.00 53.10 H new ATOM 0 HD2 LYS A 20 -11.947 2.110 -5.105 1.00 31.20 H new ATOM 0 HD3 LYS A 20 -10.457 2.676 -4.377 1.00 31.20 H new ATOM 0 HE2 LYS A 20 -9.116 1.692 -5.991 1.00 12.20 H new ATOM 0 HE3 LYS A 20 -10.229 0.368 -6.274 1.00 12.20 H new ATOM 0 HZ1 LYS A 20 -10.167 1.877 -8.152 1.00 4.53 H new ATOM 0 HZ2 LYS A 20 -11.709 1.899 -7.442 1.00 4.53 H new ATOM 0 HZ3 LYS A 20 -10.631 3.181 -7.168 1.00 4.53 H new ATOM 176 N ALA A 21 -7.433 -1.316 -2.372 1.00 24.50 N ATOM 177 CA ALA A 21 -6.403 -2.187 -2.925 1.00 54.40 C ATOM 178 C ALA A 21 -6.533 -3.605 -2.380 1.00 54.20 C ATOM 179 O ALA A 21 -6.502 -4.576 -3.136 1.00 63.10 O ATOM 180 CB ALA A 21 -5.021 -1.628 -2.623 1.00 14.30 C ATOM 0 H ALA A 21 -7.078 -0.569 -1.775 1.00 24.50 H new ATOM 0 HA ALA A 21 -6.538 -2.227 -4.006 1.00 54.40 H new ATOM 0 HB1 ALA A 21 -4.262 -2.289 -3.042 1.00 14.30 H new ATOM 0 HB2 ALA A 21 -4.924 -0.637 -3.067 1.00 14.30 H new ATOM 0 HB3 ALA A 21 -4.885 -1.557 -1.544 1.00 14.30 H new ATOM 186 N ALA A 22 -6.678 -3.717 -1.064 1.00 41.10 N ATOM 187 CA ALA A 22 -6.812 -5.016 -0.418 1.00 33.50 C ATOM 188 C ALA A 22 -8.035 -5.764 -0.938 1.00 5.44 C ATOM 189 O ALA A 22 -8.013 -6.987 -1.080 1.00 14.40 O ATOM 190 CB ALA A 22 -6.897 -4.848 1.092 1.00 22.00 C ATOM 0 H ALA A 22 -6.706 -2.923 -0.424 1.00 41.10 H new ATOM 0 HA ALA A 22 -5.928 -5.607 -0.658 1.00 33.50 H new ATOM 0 HB1 ALA A 22 -6.997 -5.826 1.562 1.00 22.00 H new ATOM 0 HB2 ALA A 22 -5.992 -4.362 1.455 1.00 22.00 H new ATOM 0 HB3 ALA A 22 -7.763 -4.235 1.342 1.00 22.00 H new ATOM 196 N GLN A 23 -9.100 -5.022 -1.221 1.00 5.42 N ATOM 197 CA GLN A 23 -10.330 -5.615 -1.726 1.00 1.14 C ATOM 198 C GLN A 23 -10.190 -5.979 -3.200 1.00 52.10 C ATOM 199 O GLN A 23 -10.800 -6.943 -3.670 1.00 53.40 O ATOM 200 CB GLN A 23 -11.500 -4.650 -1.532 1.00 52.40 C ATOM 201 CG GLN A 23 -12.030 -4.615 -0.109 1.00 11.40 C ATOM 202 CD GLN A 23 -13.140 -3.601 0.074 1.00 33.10 C ATOM 203 OE1 GLN A 23 -13.000 -2.636 0.824 1.00 51.20 O ATOM 204 NE2 GLN A 23 -14.260 -3.817 -0.613 1.00 13.40 N ATOM 0 H GLN A 23 -9.135 -4.009 -1.109 1.00 5.42 H new ATOM 0 HA GLN A 23 -10.526 -6.528 -1.163 1.00 1.14 H new ATOM 0 HB2 GLN A 23 -11.184 -3.647 -1.818 1.00 52.40 H new ATOM 0 HB3 GLN A 23 -12.309 -4.933 -2.205 1.00 52.40 H new ATOM 0 HG2 GLN A 23 -12.398 -5.604 0.162 1.00 11.40 H new ATOM 0 HG3 GLN A 23 -11.213 -4.381 0.574 1.00 11.40 H new ATOM 0 HE21 GLN A 23 -14.335 -4.630 -1.224 1.00 13.40 H new ATOM 0 HE22 GLN A 23 -15.043 -3.169 -0.528 1.00 13.40 H new ATOM 213 N GLU A 24 -9.400 -5.202 -3.926 1.00 0.32 N ATOM 214 CA GLU A 24 -9.184 -5.443 -5.348 1.00 41.30 C ATOM 215 C GLU A 24 -8.443 -6.757 -5.571 1.00 5.15 C ATOM 216 O GLU A 24 -8.852 -7.582 -6.388 1.00 50.20 O ATOM 217 CB GLU A 24 -8.397 -4.288 -5.968 1.00 1.33 C ATOM 218 CG GLU A 24 -9.214 -3.018 -6.142 1.00 71.10 C ATOM 219 CD GLU A 24 -9.843 -2.913 -7.518 1.00 2.22 C ATOM 220 OE1 GLU A 24 -9.168 -3.266 -8.507 1.00 65.40 O ATOM 221 OE2 GLU A 24 -11.010 -2.478 -7.605 1.00 71.20 O ATOM 0 H GLU A 24 -8.896 -4.397 -3.554 1.00 0.32 H new ATOM 0 HA GLU A 24 -10.158 -5.510 -5.832 1.00 41.30 H new ATOM 0 HB2 GLU A 24 -7.533 -4.071 -5.341 1.00 1.33 H new ATOM 0 HB3 GLU A 24 -8.015 -4.600 -6.940 1.00 1.33 H new ATOM 0 HG2 GLU A 24 -9.998 -2.988 -5.385 1.00 71.10 H new ATOM 0 HG3 GLU A 24 -8.574 -2.152 -5.972 1.00 71.10 H new ATOM 228 N ASP A 25 -7.350 -6.946 -4.838 1.00 13.20 N ATOM 229 CA ASP A 25 -6.551 -8.160 -4.956 1.00 55.00 C ATOM 230 C ASP A 25 -7.379 -9.392 -4.605 1.00 53.00 C ATOM 231 O ASP A 25 -7.386 -10.370 -5.342 1.00 22.00 O ATOM 232 CB ASP A 25 -5.325 -8.079 -4.046 1.00 63.40 C ATOM 233 CG ASP A 25 -4.387 -9.255 -4.233 1.00 63.30 C ATOM 234 OD1 ASP A 25 -4.853 -10.400 -4.130 1.00 1.34 O ATOM 235 OD2 ASP A 25 -3.185 -9.022 -4.484 1.00 53.20 O ATOM 0 H ASP A 25 -6.998 -6.274 -4.156 1.00 13.20 H new ATOM 0 HA ASP A 25 -6.221 -8.249 -5.991 1.00 55.00 H new ATOM 0 HB2 ASP A 25 -4.787 -7.153 -4.248 1.00 63.40 H new ATOM 0 HB3 ASP A 25 -5.650 -8.039 -3.006 1.00 63.40 H new ATOM 240 N LYS A 26 -8.075 -9.328 -3.474 1.00 53.50 N ATOM 241 CA LYS A 26 -8.906 -10.430 -3.025 1.00 51.30 C ATOM 242 C LYS A 26 -10.060 -10.680 -3.992 1.00 32.00 C ATOM 243 O LYS A 26 -10.480 -11.810 -4.192 1.00 43.20 O ATOM 244 CB LYS A 26 -9.451 -10.160 -1.622 1.00 54.10 C ATOM 245 CG LYS A 26 -8.470 -10.490 -0.511 1.00 5.53 C ATOM 246 CD LYS A 26 -9.135 -10.440 0.854 1.00 53.40 C ATOM 247 CE LYS A 26 -8.581 -11.510 1.786 1.00 15.20 C ATOM 248 NZ LYS A 26 -9.420 -12.740 1.784 1.00 41.20 N ATOM 0 H LYS A 26 -8.077 -8.519 -2.852 1.00 53.50 H new ATOM 0 HA LYS A 26 -8.281 -11.323 -2.996 1.00 51.30 H new ATOM 0 HB2 LYS A 26 -9.731 -9.109 -1.547 1.00 54.10 H new ATOM 0 HB3 LYS A 26 -10.360 -10.743 -1.477 1.00 54.10 H new ATOM 0 HG2 LYS A 26 -8.052 -11.483 -0.677 1.00 5.53 H new ATOM 0 HG3 LYS A 26 -7.639 -9.786 -0.538 1.00 5.53 H new ATOM 0 HD2 LYS A 26 -8.983 -9.456 1.298 1.00 53.40 H new ATOM 0 HD3 LYS A 26 -10.211 -10.576 0.741 1.00 53.40 H new ATOM 0 HE2 LYS A 26 -7.565 -11.764 1.483 1.00 15.20 H new ATOM 0 HE3 LYS A 26 -8.522 -11.113 2.799 1.00 15.20 H new ATOM 0 HZ1 LYS A 26 -9.008 -13.442 2.431 1.00 41.20 H new ATOM 0 HZ2 LYS A 26 -10.383 -12.504 2.097 1.00 41.20 H new ATOM 0 HZ3 LYS A 26 -9.456 -13.134 0.822 1.00 41.20 H new ATOM 262 N ALA A 27 -10.560 -9.604 -4.589 1.00 72.10 N ATOM 263 CA ALA A 27 -11.660 -9.700 -5.536 1.00 62.30 C ATOM 264 C ALA A 27 -11.220 -10.390 -6.819 1.00 63.40 C ATOM 265 O ALA A 27 -11.910 -11.300 -7.309 1.00 65.30 O ATOM 266 CB ALA A 27 -12.210 -8.315 -5.847 1.00 64.50 C ATOM 0 H ALA A 27 -10.219 -8.655 -4.433 1.00 72.10 H new ATOM 0 HA ALA A 27 -12.447 -10.301 -5.080 1.00 62.30 H new ATOM 0 HB1 ALA A 27 -13.033 -8.401 -6.557 1.00 64.50 H new ATOM 0 HB2 ALA A 27 -12.570 -7.852 -4.928 1.00 64.50 H new ATOM 0 HB3 ALA A 27 -11.421 -7.699 -6.279 1.00 64.50 H new ATOM 272 N GLY A 28 -10.090 -9.978 -7.359 1.00 43.30 N ATOM 273 CA GLY A 28 -9.584 -10.570 -8.580 1.00 15.50 C ATOM 274 C GLY A 28 -8.613 -9.668 -9.310 1.00 25.40 C ATOM 275 O GLY A 28 -7.687 -10.140 -9.970 1.00 60.30 O ATOM 0 H GLY A 28 -9.506 -9.237 -6.972 1.00 43.30 H new ATOM 0 HA2 GLY A 28 -9.090 -11.513 -8.344 1.00 15.50 H new ATOM 0 HA3 GLY A 28 -10.420 -10.805 -9.238 1.00 15.50 H new ATOM 279 N ASN A 29 -8.825 -8.362 -9.193 1.00 43.40 N ATOM 280 CA ASN A 29 -7.962 -7.385 -9.848 1.00 61.20 C ATOM 281 C ASN A 29 -6.621 -7.277 -9.129 1.00 0.31 C ATOM 282 O ASN A 29 -6.559 -6.887 -7.963 1.00 52.40 O ATOM 283 CB ASN A 29 -8.643 -6.017 -9.888 1.00 64.30 C ATOM 284 CG ASN A 29 -10.040 -6.083 -10.470 1.00 34.10 C ATOM 285 OD1 ASN A 29 -10.460 -7.125 -10.970 1.00 11.10 O ATOM 286 ND2 ASN A 29 -10.750 -4.968 -10.420 1.00 11.40 N ATOM 0 H ASN A 29 -9.587 -7.955 -8.651 1.00 43.40 H new ATOM 0 HA ASN A 29 -7.782 -7.723 -10.869 1.00 61.20 H new ATOM 0 HB2 ASN A 29 -8.692 -5.609 -8.878 1.00 64.30 H new ATOM 0 HB3 ASN A 29 -8.038 -5.330 -10.480 1.00 64.30 H new ATOM 0 HD21 ASN A 29 -11.693 -4.946 -10.808 1.00 11.40 H new ATOM 0 HD22 ASN A 29 -10.354 -4.130 -9.994 1.00 11.40 H new ATOM 293 N TYR A 30 -5.548 -7.625 -9.833 1.00 41.00 N ATOM 294 CA TYR A 30 -4.208 -7.567 -9.262 1.00 24.10 C ATOM 295 C TYR A 30 -3.445 -6.354 -9.787 1.00 42.50 C ATOM 296 O TYR A 30 -2.712 -5.701 -9.045 1.00 30.20 O ATOM 297 CB TYR A 30 -3.437 -8.848 -9.586 1.00 0.23 C ATOM 298 CG TYR A 30 -3.767 -10.000 -8.668 1.00 14.20 C ATOM 299 CD1 TYR A 30 -5.081 -10.280 -8.315 1.00 10.30 C ATOM 300 CD2 TYR A 30 -2.764 -10.810 -8.154 1.00 71.10 C ATOM 301 CE1 TYR A 30 -5.387 -11.330 -7.476 1.00 70.30 C ATOM 302 CE2 TYR A 30 -3.061 -11.870 -7.314 1.00 72.10 C ATOM 303 CZ TYR A 30 -4.374 -12.120 -6.979 1.00 74.00 C ATOM 304 OH TYR A 30 -4.674 -13.170 -6.143 1.00 43.40 O ATOM 0 H TYR A 30 -5.581 -7.950 -10.799 1.00 41.00 H new ATOM 0 HA TYR A 30 -4.305 -7.473 -8.180 1.00 24.10 H new ATOM 0 HB2 TYR A 30 -3.651 -9.141 -10.614 1.00 0.23 H new ATOM 0 HB3 TYR A 30 -2.368 -8.643 -9.529 1.00 0.23 H new ATOM 0 HD1 TYR A 30 -5.877 -9.664 -8.705 1.00 10.30 H new ATOM 0 HD2 TYR A 30 -1.735 -10.610 -8.413 1.00 71.10 H new ATOM 0 HE1 TYR A 30 -6.414 -11.532 -7.210 1.00 70.30 H new ATOM 0 HE2 TYR A 30 -2.271 -12.495 -6.925 1.00 72.10 H new ATOM 0 HH TYR A 30 -3.847 -13.627 -5.882 1.00 43.40 H new ATOM 314 N GLU A 31 -3.624 -6.060 -11.070 1.00 51.10 N ATOM 315 CA GLU A 31 -2.953 -4.925 -11.690 1.00 61.50 C ATOM 316 C GLU A 31 -3.345 -3.619 -11.010 1.00 1.45 C ATOM 317 O GLU A 31 -2.487 -2.863 -10.550 1.00 43.10 O ATOM 318 CB GLU A 31 -3.295 -4.860 -13.180 1.00 22.50 C ATOM 319 CG GLU A 31 -2.373 -5.694 -14.050 1.00 1.14 C ATOM 320 CD GLU A 31 -2.855 -5.787 -15.490 1.00 32.30 C ATOM 321 OE1 GLU A 31 -2.559 -4.863 -16.270 1.00 50.10 O ATOM 322 OE2 GLU A 31 -3.528 -6.784 -15.820 1.00 14.10 O ATOM 0 H GLU A 31 -4.227 -6.591 -11.699 1.00 51.10 H new ATOM 0 HA GLU A 31 -1.878 -5.063 -11.574 1.00 61.50 H new ATOM 0 HB2 GLU A 31 -4.321 -5.198 -13.324 1.00 22.50 H new ATOM 0 HB3 GLU A 31 -3.252 -3.822 -13.510 1.00 22.50 H new ATOM 0 HG2 GLU A 31 -1.373 -5.261 -14.033 1.00 1.14 H new ATOM 0 HG3 GLU A 31 -2.293 -6.697 -13.632 1.00 1.14 H new ATOM 329 N GLU A 32 -4.647 -3.359 -10.940 1.00 34.50 N ATOM 330 CA GLU A 32 -5.153 -2.143 -10.320 1.00 11.00 C ATOM 331 C GLU A 32 -4.776 -2.094 -8.845 1.00 30.10 C ATOM 332 O GLU A 32 -4.489 -1.027 -8.302 1.00 71.40 O ATOM 333 CB GLU A 32 -6.673 -2.061 -10.470 1.00 70.10 C ATOM 334 CG GLU A 32 -7.248 -0.702 -10.110 1.00 14.50 C ATOM 335 CD GLU A 32 -7.425 0.199 -11.310 1.00 11.10 C ATOM 336 OE1 GLU A 32 -7.930 -0.286 -12.350 1.00 73.50 O ATOM 337 OE2 GLU A 32 -7.060 1.390 -11.220 1.00 15.40 O ATOM 0 H GLU A 32 -5.371 -3.977 -11.307 1.00 34.50 H new ATOM 0 HA GLU A 32 -4.700 -1.290 -10.825 1.00 11.00 H new ATOM 0 HB2 GLU A 32 -6.941 -2.298 -11.499 1.00 70.10 H new ATOM 0 HB3 GLU A 32 -7.133 -2.820 -9.837 1.00 70.10 H new ATOM 0 HG2 GLU A 32 -8.212 -0.839 -9.620 1.00 14.50 H new ATOM 0 HG3 GLU A 32 -6.591 -0.214 -9.390 1.00 14.50 H new ATOM 344 N ALA A 33 -4.778 -3.257 -8.200 1.00 32.40 N ATOM 345 CA ALA A 33 -4.436 -3.346 -6.786 1.00 32.30 C ATOM 346 C ALA A 33 -2.984 -2.949 -6.546 1.00 72.10 C ATOM 347 O ALA A 33 -2.665 -2.290 -5.556 1.00 72.20 O ATOM 348 CB ALA A 33 -4.692 -4.755 -6.270 1.00 63.20 C ATOM 0 H ALA A 33 -5.013 -4.150 -8.634 1.00 32.40 H new ATOM 0 HA ALA A 33 -5.071 -2.649 -6.239 1.00 32.30 H new ATOM 0 HB1 ALA A 33 -4.432 -4.808 -5.213 1.00 63.20 H new ATOM 0 HB2 ALA A 33 -5.746 -5.004 -6.398 1.00 63.20 H new ATOM 0 HB3 ALA A 33 -4.081 -5.464 -6.829 1.00 63.20 H new ATOM 354 N LEU A 34 -2.107 -3.353 -7.459 1.00 22.00 N ATOM 355 CA LEU A 34 -0.687 -3.038 -7.347 1.00 1.45 C ATOM 356 C LEU A 34 -0.463 -1.530 -7.338 1.00 34.40 C ATOM 357 O LEU A 34 0.262 -1.005 -6.493 1.00 11.10 O ATOM 358 CB LEU A 34 0.090 -3.673 -8.502 1.00 3.45 C ATOM 359 CG LEU A 34 1.608 -3.501 -8.433 1.00 55.30 C ATOM 360 CD1 LEU A 34 2.158 -4.120 -7.158 1.00 54.10 C ATOM 361 CD2 LEU A 34 2.270 -4.118 -9.656 1.00 4.34 C ATOM 0 H LEU A 34 -2.354 -3.899 -8.284 1.00 22.00 H new ATOM 0 HA LEU A 34 -0.323 -3.447 -6.404 1.00 1.45 H new ATOM 0 HB2 LEU A 34 -0.139 -4.738 -8.531 1.00 3.45 H new ATOM 0 HB3 LEU A 34 -0.267 -3.245 -9.439 1.00 3.45 H new ATOM 0 HG LEU A 34 1.834 -2.435 -8.421 1.00 55.30 H new ATOM 0 HD11 LEU A 34 3.240 -3.988 -7.127 1.00 54.10 H new ATOM 0 HD12 LEU A 34 1.708 -3.633 -6.293 1.00 54.10 H new ATOM 0 HD13 LEU A 34 1.922 -5.184 -7.139 1.00 54.10 H new ATOM 0 HD21 LEU A 34 3.350 -3.986 -9.590 1.00 4.34 H new ATOM 0 HD22 LEU A 34 2.036 -5.182 -9.699 1.00 4.34 H new ATOM 0 HD23 LEU A 34 1.899 -3.628 -10.556 1.00 4.34 H new ATOM 373 N GLN A 35 -1.091 -0.837 -8.282 1.00 5.14 N ATOM 374 CA GLN A 35 -0.960 0.612 -8.382 1.00 64.40 C ATOM 375 C GLN A 35 -1.459 1.292 -7.112 1.00 2.51 C ATOM 376 O GLN A 35 -0.911 2.307 -6.683 1.00 22.10 O ATOM 377 CB GLN A 35 -1.738 1.133 -9.592 1.00 55.30 C ATOM 378 CG GLN A 35 -0.920 1.168 -10.870 1.00 23.40 C ATOM 379 CD GLN A 35 -0.439 2.563 -11.210 1.00 64.50 C ATOM 380 OE1 GLN A 35 -0.914 3.176 -12.170 1.00 55.20 O ATOM 381 NE2 GLN A 35 0.509 3.072 -10.440 1.00 22.30 N ATOM 0 H GLN A 35 -1.696 -1.255 -8.989 1.00 5.14 H new ATOM 0 HA GLN A 35 0.097 0.848 -8.508 1.00 64.40 H new ATOM 0 HB2 GLN A 35 -2.614 0.504 -9.748 1.00 55.30 H new ATOM 0 HB3 GLN A 35 -2.101 2.138 -9.375 1.00 55.30 H new ATOM 0 HG2 GLN A 35 -0.061 0.506 -10.766 1.00 23.40 H new ATOM 0 HG3 GLN A 35 -1.521 0.783 -11.694 1.00 23.40 H new ATOM 0 HE21 GLN A 35 0.874 2.531 -9.656 1.00 22.30 H new ATOM 0 HE22 GLN A 35 0.875 4.005 -10.630 1.00 22.30 H new ATOM 390 N LEU A 36 -2.501 0.725 -6.513 1.00 62.30 N ATOM 391 CA LEU A 36 -3.074 1.276 -5.291 1.00 42.20 C ATOM 392 C LEU A 36 -2.208 0.936 -4.082 1.00 13.10 C ATOM 393 O LEU A 36 -2.033 1.755 -3.181 1.00 73.40 O ATOM 394 CB LEU A 36 -4.493 0.744 -5.082 1.00 44.20 C ATOM 395 CG LEU A 36 -5.445 0.958 -6.261 1.00 31.30 C ATOM 396 CD1 LEU A 36 -6.491 -0.144 -6.308 1.00 73.30 C ATOM 397 CD2 LEU A 36 -6.109 2.323 -6.167 1.00 64.10 C ATOM 0 H LEU A 36 -2.966 -0.116 -6.854 1.00 62.30 H new ATOM 0 HA LEU A 36 -3.112 2.360 -5.395 1.00 42.20 H new ATOM 0 HB2 LEU A 36 -4.437 -0.324 -4.869 1.00 44.20 H new ATOM 0 HB3 LEU A 36 -4.918 1.223 -4.200 1.00 44.20 H new ATOM 0 HG LEU A 36 -4.866 0.920 -7.184 1.00 31.30 H new ATOM 0 HD11 LEU A 36 -7.159 0.024 -7.153 1.00 73.30 H new ATOM 0 HD12 LEU A 36 -5.998 -1.109 -6.422 1.00 73.30 H new ATOM 0 HD13 LEU A 36 -7.067 -0.138 -5.383 1.00 73.30 H new ATOM 0 HD21 LEU A 36 -6.783 2.459 -7.013 1.00 64.10 H new ATOM 0 HD22 LEU A 36 -6.675 2.389 -5.238 1.00 64.10 H new ATOM 0 HD23 LEU A 36 -5.346 3.101 -6.183 1.00 64.10 H new ATOM 409 N TYR A 37 -1.669 -0.279 -4.071 1.00 12.20 N ATOM 410 CA TYR A 37 -0.821 -0.728 -2.973 1.00 60.30 C ATOM 411 C TYR A 37 0.408 0.164 -2.834 1.00 31.30 C ATOM 412 O TYR A 37 0.791 0.543 -1.727 1.00 74.30 O ATOM 413 CB TYR A 37 -0.389 -2.179 -3.195 1.00 33.20 C ATOM 414 CG TYR A 37 -1.500 -3.182 -2.979 1.00 5.12 C ATOM 415 CD1 TYR A 37 -2.350 -3.081 -1.885 1.00 12.40 C ATOM 416 CD2 TYR A 37 -1.698 -4.230 -3.869 1.00 52.40 C ATOM 417 CE1 TYR A 37 -3.367 -3.995 -1.685 1.00 13.30 C ATOM 418 CE2 TYR A 37 -2.713 -5.148 -3.676 1.00 31.10 C ATOM 419 CZ TYR A 37 -3.544 -5.027 -2.582 1.00 45.20 C ATOM 420 OH TYR A 37 -4.555 -5.939 -2.386 1.00 65.50 O ATOM 0 H TYR A 37 -1.804 -0.970 -4.809 1.00 12.20 H new ATOM 0 HA TYR A 37 -1.400 -0.665 -2.051 1.00 60.30 H new ATOM 0 HB2 TYR A 37 -0.008 -2.284 -4.211 1.00 33.20 H new ATOM 0 HB3 TYR A 37 0.435 -2.411 -2.520 1.00 33.20 H new ATOM 0 HD1 TYR A 37 -2.214 -2.275 -1.179 1.00 12.40 H new ATOM 0 HD2 TYR A 37 -1.048 -4.329 -4.726 1.00 52.40 H new ATOM 0 HE1 TYR A 37 -4.020 -3.901 -0.830 1.00 13.30 H new ATOM 0 HE2 TYR A 37 -2.855 -5.956 -4.378 1.00 31.10 H new ATOM 0 HH TYR A 37 -5.341 -5.673 -2.907 1.00 65.50 H new ATOM 430 N GLN A 38 1.022 0.497 -3.965 1.00 75.50 N ATOM 431 CA GLN A 38 2.208 1.345 -3.970 1.00 3.43 C ATOM 432 C GLN A 38 1.868 2.759 -3.510 1.00 62.00 C ATOM 433 O GLN A 38 2.612 3.369 -2.742 1.00 14.30 O ATOM 434 CB GLN A 38 2.826 1.387 -5.369 1.00 74.40 C ATOM 435 CG GLN A 38 3.359 0.043 -5.838 1.00 51.50 C ATOM 436 CD GLN A 38 4.091 0.137 -7.163 1.00 40.20 C ATOM 437 OE1 GLN A 38 4.694 1.162 -7.481 1.00 50.10 O ATOM 438 NE2 GLN A 38 4.041 -0.936 -7.944 1.00 11.00 N ATOM 0 H GLN A 38 0.718 0.192 -4.890 1.00 75.50 H new ATOM 0 HA GLN A 38 2.931 0.919 -3.274 1.00 3.43 H new ATOM 0 HB2 GLN A 38 2.077 1.739 -6.078 1.00 74.40 H new ATOM 0 HB3 GLN A 38 3.638 2.114 -5.377 1.00 74.40 H new ATOM 0 HG2 GLN A 38 4.033 -0.360 -5.082 1.00 51.50 H new ATOM 0 HG3 GLN A 38 2.531 -0.659 -5.934 1.00 51.50 H new ATOM 0 HE21 GLN A 38 3.529 -1.764 -7.640 1.00 11.00 H new ATOM 0 HE22 GLN A 38 4.514 -0.932 -8.848 1.00 11.00 H new ATOM 447 N HIS A 39 0.739 3.275 -3.985 1.00 52.50 N ATOM 448 CA HIS A 39 0.300 4.617 -3.623 1.00 44.40 C ATOM 449 C HIS A 39 0.090 4.733 -2.116 1.00 55.10 C ATOM 450 O HIS A 39 0.502 5.713 -1.496 1.00 50.40 O ATOM 451 CB HIS A 39 -0.994 4.969 -4.358 1.00 1.34 C ATOM 452 CG HIS A 39 -0.770 5.653 -5.671 1.00 44.40 C ATOM 453 ND1 HIS A 39 -1.780 6.259 -6.387 1.00 62.40 N ATOM 454 CD2 HIS A 39 0.360 5.825 -6.399 1.00 51.20 C ATOM 455 CE1 HIS A 39 -1.283 6.774 -7.498 1.00 45.10 C ATOM 456 NE2 HIS A 39 0.013 6.525 -7.528 1.00 51.10 N ATOM 0 H HIS A 39 0.112 2.784 -4.622 1.00 52.50 H new ATOM 0 HA HIS A 39 1.080 5.319 -3.918 1.00 44.40 H new ATOM 0 HB2 HIS A 39 -1.566 4.057 -4.526 1.00 1.34 H new ATOM 0 HB3 HIS A 39 -1.600 5.613 -3.721 1.00 1.34 H new ATOM 0 HD2 HIS A 39 1.349 5.477 -6.140 1.00 51.20 H new ATOM 0 HE1 HIS A 39 -1.842 7.308 -8.253 1.00 45.10 H new ATOM 0 HE2 HIS A 39 0.653 6.807 -8.270 1.00 51.10 H new ATOM 465 N ALA A 40 -0.552 3.726 -1.535 1.00 21.10 N ATOM 466 CA ALA A 40 -0.816 3.714 -0.101 1.00 11.30 C ATOM 467 C ALA A 40 0.482 3.771 0.697 1.00 32.20 C ATOM 468 O ALA A 40 0.578 4.485 1.695 1.00 34.10 O ATOM 469 CB ALA A 40 -1.617 2.477 0.278 1.00 5.33 C ATOM 0 H ALA A 40 -0.899 2.907 -2.035 1.00 21.10 H new ATOM 0 HA ALA A 40 -1.401 4.601 0.143 1.00 11.30 H new ATOM 0 HB1 ALA A 40 -1.807 2.481 1.351 1.00 5.33 H new ATOM 0 HB2 ALA A 40 -2.566 2.480 -0.258 1.00 5.33 H new ATOM 0 HB3 ALA A 40 -1.053 1.583 0.013 1.00 5.33 H new ATOM 475 N VAL A 41 1.479 3.015 0.250 1.00 65.00 N ATOM 476 CA VAL A 41 2.772 2.979 0.922 1.00 41.40 C ATOM 477 C VAL A 41 3.467 4.335 0.846 1.00 52.40 C ATOM 478 O VAL A 41 4.202 4.719 1.755 1.00 11.20 O ATOM 479 CB VAL A 41 3.695 1.906 0.312 1.00 60.40 C ATOM 480 CG1 VAL A 41 4.975 1.777 1.123 1.00 74.00 C ATOM 481 CG2 VAL A 41 2.975 0.569 0.223 1.00 71.00 C ATOM 0 H VAL A 41 1.416 2.419 -0.575 1.00 65.00 H new ATOM 0 HA VAL A 41 2.579 2.729 1.965 1.00 41.40 H new ATOM 0 HB VAL A 41 3.962 2.216 -0.698 1.00 60.40 H new ATOM 0 HG11 VAL A 41 5.613 1.015 0.676 1.00 74.00 H new ATOM 0 HG12 VAL A 41 5.500 2.732 1.129 1.00 74.00 H new ATOM 0 HG13 VAL A 41 4.730 1.492 2.146 1.00 74.00 H new ATOM 0 HG21 VAL A 41 3.643 -0.176 -0.210 1.00 71.00 H new ATOM 0 HG22 VAL A 41 2.675 0.250 1.221 1.00 71.00 H new ATOM 0 HG23 VAL A 41 2.091 0.673 -0.406 1.00 71.00 H new ATOM 491 N GLN A 42 3.229 5.055 -0.245 1.00 44.10 N ATOM 492 CA GLN A 42 3.832 6.369 -0.440 1.00 52.30 C ATOM 493 C GLN A 42 3.276 7.377 0.560 1.00 54.10 C ATOM 494 O GLN A 42 4.026 8.143 1.165 1.00 70.50 O ATOM 495 CB GLN A 42 3.584 6.860 -1.868 1.00 2.13 C ATOM 496 CG GLN A 42 4.660 6.435 -2.853 1.00 54.30 C ATOM 497 CD GLN A 42 5.989 7.119 -2.595 1.00 32.10 C ATOM 498 OE1 GLN A 42 6.982 6.469 -2.270 1.00 42.40 O ATOM 499 NE2 GLN A 42 6.013 8.439 -2.740 1.00 5.41 N ATOM 0 H GLN A 42 2.623 4.751 -1.007 1.00 44.10 H new ATOM 0 HA GLN A 42 4.906 6.276 -0.276 1.00 52.30 H new ATOM 0 HB2 GLN A 42 2.620 6.483 -2.211 1.00 2.13 H new ATOM 0 HB3 GLN A 42 3.517 7.948 -1.863 1.00 2.13 H new ATOM 0 HG2 GLN A 42 4.794 5.355 -2.795 1.00 54.30 H new ATOM 0 HG3 GLN A 42 4.330 6.662 -3.867 1.00 54.30 H new ATOM 0 HE21 GLN A 42 5.166 8.938 -3.011 1.00 5.41 H new ATOM 0 HE22 GLN A 42 6.879 8.954 -2.580 1.00 5.41 H new ATOM 508 N TYR A 43 1.958 7.370 0.730 1.00 32.10 N ATOM 509 CA TYR A 43 1.302 8.284 1.657 1.00 10.40 C ATOM 510 C TYR A 43 1.513 7.838 3.101 1.00 12.30 C ATOM 511 O TYR A 43 1.597 8.664 4.010 1.00 65.40 O ATOM 512 CB TYR A 43 -0.194 8.368 1.350 1.00 3.44 C ATOM 513 CG TYR A 43 -0.499 8.836 -0.055 1.00 61.10 C ATOM 514 CD1 TYR A 43 -0.263 10.151 -0.436 1.00 53.30 C ATOM 515 CD2 TYR A 43 -1.023 7.963 -1.000 1.00 31.30 C ATOM 516 CE1 TYR A 43 -0.541 10.582 -1.719 1.00 23.20 C ATOM 517 CE2 TYR A 43 -1.303 8.386 -2.285 1.00 22.10 C ATOM 518 CZ TYR A 43 -1.061 9.696 -2.639 1.00 4.21 C ATOM 519 OH TYR A 43 -1.338 10.122 -3.918 1.00 35.40 O ATOM 0 H TYR A 43 1.323 6.741 0.238 1.00 32.10 H new ATOM 0 HA TYR A 43 1.747 9.271 1.532 1.00 10.40 H new ATOM 0 HB2 TYR A 43 -0.643 7.387 1.502 1.00 3.44 H new ATOM 0 HB3 TYR A 43 -0.664 9.048 2.060 1.00 3.44 H new ATOM 0 HD1 TYR A 43 0.144 10.847 0.282 1.00 53.30 H new ATOM 0 HD2 TYR A 43 -1.215 6.936 -0.725 1.00 31.30 H new ATOM 0 HE1 TYR A 43 -0.352 11.608 -2.000 1.00 23.20 H new ATOM 0 HE2 TYR A 43 -1.709 7.694 -3.008 1.00 22.10 H new ATOM 0 HH TYR A 43 -1.466 9.345 -4.501 1.00 35.40 H new ATOM 529 N PHE A 44 1.596 6.527 3.303 1.00 73.40 N ATOM 530 CA PHE A 44 1.797 5.972 4.637 1.00 70.00 C ATOM 531 C PHE A 44 3.183 6.321 5.169 1.00 44.50 C ATOM 532 O PHE A 44 3.348 6.615 6.352 1.00 22.00 O ATOM 533 CB PHE A 44 1.616 4.453 4.612 1.00 20.10 C ATOM 534 CG PHE A 44 0.181 4.018 4.710 1.00 45.30 C ATOM 535 CD1 PHE A 44 -0.662 4.577 5.656 1.00 35.10 C ATOM 536 CD2 PHE A 44 -0.323 3.049 3.856 1.00 21.30 C ATOM 537 CE1 PHE A 44 -1.983 4.178 5.749 1.00 62.40 C ATOM 538 CE2 PHE A 44 -1.642 2.647 3.945 1.00 20.50 C ATOM 539 CZ PHE A 44 -2.473 3.212 4.892 1.00 23.00 C ATOM 0 H PHE A 44 1.527 5.830 2.561 1.00 73.40 H new ATOM 0 HA PHE A 44 1.052 6.410 5.301 1.00 70.00 H new ATOM 0 HB2 PHE A 44 2.044 4.059 3.690 1.00 20.10 H new ATOM 0 HB3 PHE A 44 2.177 4.015 5.437 1.00 20.10 H new ATOM 0 HD1 PHE A 44 -0.284 5.333 6.328 1.00 35.10 H new ATOM 0 HD2 PHE A 44 0.322 2.604 3.113 1.00 21.30 H new ATOM 0 HE1 PHE A 44 -2.631 4.621 6.491 1.00 62.40 H new ATOM 0 HE2 PHE A 44 -2.023 1.891 3.274 1.00 20.50 H new ATOM 0 HZ PHE A 44 -3.504 2.899 4.962 1.00 23.00 H new ATOM 549 N LEU A 45 4.176 6.288 4.286 1.00 14.40 N ATOM 550 CA LEU A 45 5.548 6.602 4.668 1.00 14.50 C ATOM 551 C LEU A 45 5.733 8.106 4.843 1.00 64.10 C ATOM 552 O LEU A 45 6.547 8.551 5.653 1.00 21.30 O ATOM 553 CB LEU A 45 6.525 6.075 3.615 1.00 24.20 C ATOM 554 CG LEU A 45 6.629 4.551 3.534 1.00 5.44 C ATOM 555 CD1 LEU A 45 7.505 4.138 2.361 1.00 4.10 C ATOM 556 CD2 LEU A 45 7.177 3.985 4.835 1.00 34.00 C ATOM 0 H LEU A 45 4.056 6.047 3.302 1.00 14.40 H new ATOM 0 HA LEU A 45 5.754 6.116 5.621 1.00 14.50 H new ATOM 0 HB2 LEU A 45 6.224 6.456 2.639 1.00 24.20 H new ATOM 0 HB3 LEU A 45 7.515 6.481 3.824 1.00 24.20 H new ATOM 0 HG LEU A 45 5.630 4.145 3.376 1.00 5.44 H new ATOM 0 HD11 LEU A 45 7.568 3.051 2.319 1.00 4.10 H new ATOM 0 HD12 LEU A 45 7.072 4.513 1.434 1.00 4.10 H new ATOM 0 HD13 LEU A 45 8.504 4.554 2.489 1.00 4.10 H new ATOM 0 HD21 LEU A 45 7.244 2.900 4.760 1.00 34.00 H new ATOM 0 HD22 LEU A 45 8.168 4.398 5.023 1.00 34.00 H new ATOM 0 HD23 LEU A 45 6.512 4.251 5.656 1.00 34.00 H new ATOM 568 N HIS A 46 4.974 8.884 4.078 1.00 70.30 N ATOM 569 CA HIS A 46 5.055 10.338 4.149 1.00 71.30 C ATOM 570 C HIS A 46 4.641 10.842 5.528 1.00 70.10 C ATOM 571 O HIS A 46 5.395 11.553 6.192 1.00 75.50 O ATOM 572 CB HIS A 46 4.170 10.972 3.074 1.00 52.10 C ATOM 573 CG HIS A 46 4.250 12.466 3.037 1.00 3.24 C ATOM 574 ND1 HIS A 46 5.165 13.152 2.266 1.00 12.50 N ATOM 575 CD2 HIS A 46 3.522 13.409 3.681 1.00 42.00 C ATOM 576 CE1 HIS A 46 4.997 14.451 2.438 1.00 32.40 C ATOM 577 NE2 HIS A 46 4.007 14.634 3.291 1.00 13.30 N ATOM 0 H HIS A 46 4.296 8.532 3.402 1.00 70.30 H new ATOM 0 HA HIS A 46 6.091 10.627 3.974 1.00 71.30 H new ATOM 0 HB2 HIS A 46 4.457 10.577 2.099 1.00 52.10 H new ATOM 0 HB3 HIS A 46 3.135 10.676 3.246 1.00 52.10 H new ATOM 0 HD2 HIS A 46 2.711 13.231 4.372 1.00 42.00 H new ATOM 0 HE1 HIS A 46 5.572 15.231 1.961 1.00 32.40 H new ATOM 0 HE2 HIS A 46 3.658 15.538 3.609 1.00 13.30 H new ATOM 586 N VAL A 47 3.438 10.469 5.952 1.00 74.20 N ATOM 587 CA VAL A 47 2.923 10.884 7.251 1.00 71.10 C ATOM 588 C VAL A 47 3.830 10.405 8.381 1.00 61.00 C ATOM 589 O VAL A 47 4.122 11.153 9.314 1.00 50.30 O ATOM 590 CB VAL A 47 1.495 10.353 7.486 1.00 63.40 C ATOM 591 CG1 VAL A 47 1.478 8.832 7.475 1.00 54.20 C ATOM 592 CG2 VAL A 47 0.930 10.891 8.792 1.00 21.30 C ATOM 0 H VAL A 47 2.802 9.880 5.415 1.00 74.20 H new ATOM 0 HA VAL A 47 2.898 11.974 7.249 1.00 71.10 H new ATOM 0 HB VAL A 47 0.861 10.705 6.672 1.00 63.40 H new ATOM 0 HG11 VAL A 47 0.461 8.478 7.643 1.00 54.20 H new ATOM 0 HG12 VAL A 47 1.833 8.471 6.510 1.00 54.20 H new ATOM 0 HG13 VAL A 47 2.128 8.455 8.265 1.00 54.20 H new ATOM 0 HG21 VAL A 47 -0.078 10.504 8.939 1.00 21.30 H new ATOM 0 HG22 VAL A 47 1.564 10.575 9.620 1.00 21.30 H new ATOM 0 HG23 VAL A 47 0.899 11.980 8.754 1.00 21.30 H new ATOM 602 N VAL A 48 4.272 9.155 8.290 1.00 61.10 N ATOM 603 CA VAL A 48 5.145 8.579 9.306 1.00 30.30 C ATOM 604 C VAL A 48 6.531 9.214 9.262 1.00 71.10 C ATOM 605 O VAL A 48 7.132 9.490 10.300 1.00 2.35 O ATOM 606 CB VAL A 48 5.284 7.054 9.130 1.00 44.30 C ATOM 607 CG1 VAL A 48 6.082 6.452 10.277 1.00 51.30 C ATOM 608 CG2 VAL A 48 3.915 6.401 9.026 1.00 22.40 C ATOM 0 H VAL A 48 4.040 8.522 7.524 1.00 61.10 H new ATOM 0 HA VAL A 48 4.684 8.784 10.272 1.00 30.30 H new ATOM 0 HB VAL A 48 5.824 6.864 8.203 1.00 44.30 H new ATOM 0 HG11 VAL A 48 6.169 5.375 10.134 1.00 51.30 H new ATOM 0 HG12 VAL A 48 7.077 6.896 10.300 1.00 51.30 H new ATOM 0 HG13 VAL A 48 5.573 6.653 11.219 1.00 51.30 H new ATOM 0 HG21 VAL A 48 4.034 5.325 8.902 1.00 22.40 H new ATOM 0 HG22 VAL A 48 3.346 6.601 9.934 1.00 22.40 H new ATOM 0 HG23 VAL A 48 3.382 6.808 8.167 1.00 22.40 H new ATOM 618 N LYS A 49 7.034 9.443 8.053 1.00 2.44 N ATOM 619 CA LYS A 49 8.350 10.046 7.874 1.00 25.40 C ATOM 620 C LYS A 49 8.339 11.511 8.298 1.00 4.41 C ATOM 621 O LYS A 49 9.265 11.984 8.957 1.00 13.10 O ATOM 622 CB LYS A 49 8.795 9.929 6.415 1.00 70.30 C ATOM 623 CG LYS A 49 10.223 10.389 6.176 1.00 51.10 C ATOM 624 CD LYS A 49 10.390 10.991 4.790 1.00 73.10 C ATOM 625 CE LYS A 49 10.339 12.510 4.832 1.00 2.22 C ATOM 626 NZ LYS A 49 11.162 13.123 3.754 1.00 43.20 N ATOM 0 H LYS A 49 6.550 9.220 7.183 1.00 2.44 H new ATOM 0 HA LYS A 49 9.057 9.508 8.506 1.00 25.40 H new ATOM 0 HB2 LYS A 49 8.698 8.891 6.097 1.00 70.30 H new ATOM 0 HB3 LYS A 49 8.123 10.518 5.791 1.00 70.30 H new ATOM 0 HG2 LYS A 49 10.500 11.126 6.930 1.00 51.10 H new ATOM 0 HG3 LYS A 49 10.902 9.545 6.291 1.00 51.10 H new ATOM 0 HD2 LYS A 49 11.341 10.670 4.365 1.00 73.10 H new ATOM 0 HD3 LYS A 49 9.604 10.618 4.133 1.00 73.10 H new ATOM 0 HE2 LYS A 49 9.305 12.841 4.733 1.00 2.22 H new ATOM 0 HE3 LYS A 49 10.694 12.858 5.802 1.00 2.22 H new ATOM 0 HZ1 LYS A 49 11.101 14.159 3.817 1.00 43.20 H new ATOM 0 HZ2 LYS A 49 12.153 12.828 3.863 1.00 43.20 H new ATOM 0 HZ3 LYS A 49 10.808 12.811 2.827 1.00 43.20 H new ATOM 640 N TYR A 50 7.285 12.225 7.915 1.00 42.20 N ATOM 641 CA TYR A 50 7.154 13.637 8.256 1.00 60.40 C ATOM 642 C TYR A 50 6.831 13.812 9.736 1.00 24.30 C ATOM 643 O TYR A 50 7.670 14.263 10.516 1.00 4.23 O ATOM 644 CB TYR A 50 6.064 14.290 7.404 1.00 71.20 C ATOM 645 CG TYR A 50 6.567 14.826 6.083 1.00 3.34 C ATOM 646 CD1 TYR A 50 7.138 13.981 5.140 1.00 45.00 C ATOM 647 CD2 TYR A 50 6.471 16.178 5.779 1.00 70.30 C ATOM 648 CE1 TYR A 50 7.599 14.467 3.932 1.00 25.10 C ATOM 649 CE2 TYR A 50 6.929 16.673 4.572 1.00 63.40 C ATOM 650 CZ TYR A 50 7.492 15.813 3.653 1.00 53.20 C ATOM 651 OH TYR A 50 7.950 16.302 2.450 1.00 74.10 O ATOM 0 H TYR A 50 6.510 11.849 7.369 1.00 42.20 H new ATOM 0 HA TYR A 50 8.107 14.124 8.051 1.00 60.40 H new ATOM 0 HB2 TYR A 50 5.277 13.560 7.214 1.00 71.20 H new ATOM 0 HB3 TYR A 50 5.613 15.106 7.969 1.00 71.20 H new ATOM 0 HD1 TYR A 50 7.223 12.926 5.355 1.00 45.00 H new ATOM 0 HD2 TYR A 50 6.031 16.854 6.498 1.00 70.30 H new ATOM 0 HE1 TYR A 50 8.041 13.796 3.210 1.00 25.10 H new ATOM 0 HE2 TYR A 50 6.846 17.727 4.350 1.00 63.40 H new ATOM 0 HH TYR A 50 7.799 17.270 2.411 1.00 74.10 H new ATOM 661 N GLU A 51 5.610 13.451 10.117 1.00 25.10 N ATOM 662 CA GLU A 51 5.176 13.568 11.504 1.00 55.10 C ATOM 663 C GLU A 51 3.893 12.778 11.741 1.00 73.10 C ATOM 664 O GLU A 51 2.791 13.290 11.544 1.00 65.00 O ATOM 665 CB GLU A 51 4.959 15.037 11.871 1.00 22.00 C ATOM 666 CG GLU A 51 4.186 15.818 10.821 1.00 60.30 C ATOM 667 CD GLU A 51 3.329 16.914 11.423 1.00 24.50 C ATOM 668 OE1 GLU A 51 2.751 16.688 12.507 1.00 63.20 O ATOM 669 OE2 GLU A 51 3.238 18.000 10.812 1.00 21.00 O ATOM 0 H GLU A 51 4.904 13.075 9.484 1.00 25.10 H new ATOM 0 HA GLU A 51 5.959 13.154 12.139 1.00 55.10 H new ATOM 0 HB2 GLU A 51 4.424 15.091 12.819 1.00 22.00 H new ATOM 0 HB3 GLU A 51 5.928 15.512 12.025 1.00 22.00 H new ATOM 0 HG2 GLU A 51 4.887 16.258 10.112 1.00 60.30 H new ATOM 0 HG3 GLU A 51 3.551 15.133 10.258 1.00 60.30 H new ATOM 676 N ALA A 52 4.043 11.527 12.165 1.00 31.10 N ATOM 677 CA ALA A 52 2.897 10.667 12.429 1.00 43.10 C ATOM 678 C ALA A 52 1.998 11.264 13.506 1.00 12.10 C ATOM 679 O ALA A 52 2.237 12.374 13.983 1.00 11.50 O ATOM 680 CB ALA A 52 3.364 9.278 12.840 1.00 61.30 C ATOM 0 H ALA A 52 4.948 11.087 12.333 1.00 31.10 H new ATOM 0 HA ALA A 52 2.315 10.587 11.511 1.00 43.10 H new ATOM 0 HB1 ALA A 52 2.498 8.646 13.034 1.00 61.30 H new ATOM 0 HB2 ALA A 52 3.959 8.842 12.038 1.00 61.30 H new ATOM 0 HB3 ALA A 52 3.970 9.350 13.743 1.00 61.30 H new ATOM 686 N GLN A 53 0.963 10.522 13.885 1.00 51.00 N ATOM 687 CA GLN A 53 0.028 10.979 14.907 1.00 14.40 C ATOM 688 C GLN A 53 0.556 10.673 16.304 1.00 62.40 C ATOM 689 O GLN A 53 0.448 11.495 17.214 1.00 22.00 O ATOM 690 CB GLN A 53 -1.338 10.318 14.709 1.00 64.10 C ATOM 691 CG GLN A 53 -1.950 10.584 13.344 1.00 41.40 C ATOM 692 CD GLN A 53 -3.449 10.805 13.411 1.00 32.50 C ATOM 693 OE1 GLN A 53 -3.921 11.756 14.033 1.00 42.20 O ATOM 694 NE2 GLN A 53 -4.206 9.924 12.767 1.00 15.00 N ATOM 0 H GLN A 53 0.750 9.602 13.500 1.00 51.00 H new ATOM 0 HA GLN A 53 -0.080 12.059 14.808 1.00 14.40 H new ATOM 0 HB2 GLN A 53 -1.235 9.242 14.848 1.00 64.10 H new ATOM 0 HB3 GLN A 53 -2.021 10.676 15.480 1.00 64.10 H new ATOM 0 HG2 GLN A 53 -1.476 11.461 12.902 1.00 41.40 H new ATOM 0 HG3 GLN A 53 -1.740 9.742 12.685 1.00 41.40 H new ATOM 0 HE21 GLN A 53 -3.772 9.150 12.264 1.00 15.00 H new ATOM 0 HE22 GLN A 53 -5.221 10.021 12.776 1.00 15.00 H new ATOM 703 N GLY A 54 1.129 9.485 16.468 1.00 62.30 N ATOM 704 CA GLY A 54 1.665 9.092 17.758 1.00 23.20 C ATOM 705 C GLY A 54 2.498 7.827 17.679 1.00 63.50 C ATOM 706 O GLY A 54 2.707 7.280 16.596 1.00 60.10 O ATOM 0 H GLY A 54 1.232 8.788 15.731 1.00 62.30 H new ATOM 0 HA2 GLY A 54 2.277 9.902 18.156 1.00 23.20 H new ATOM 0 HA3 GLY A 54 0.844 8.939 18.458 1.00 23.20 H new ATOM 710 N ASP A 55 2.974 7.362 18.829 1.00 74.20 N ATOM 711 CA ASP A 55 3.789 6.154 18.886 1.00 45.10 C ATOM 712 C ASP A 55 3.015 4.950 18.359 1.00 64.20 C ATOM 713 O ASP A 55 3.467 4.259 17.446 1.00 72.00 O ATOM 714 CB ASP A 55 4.249 5.891 20.321 1.00 14.20 C ATOM 715 CG ASP A 55 5.319 4.820 20.398 1.00 71.40 C ATOM 716 OD1 ASP A 55 6.507 5.152 20.198 1.00 74.00 O ATOM 717 OD2 ASP A 55 4.970 3.649 20.658 1.00 62.20 O ATOM 0 H ASP A 55 2.810 7.803 19.734 1.00 74.20 H new ATOM 0 HA ASP A 55 4.664 6.306 18.254 1.00 45.10 H new ATOM 0 HB2 ASP A 55 4.633 6.816 20.752 1.00 14.20 H new ATOM 0 HB3 ASP A 55 3.393 5.589 20.925 1.00 14.20 H new ATOM 722 N LYS A 56 1.845 4.705 18.940 1.00 61.30 N ATOM 723 CA LYS A 56 1.007 3.584 18.529 1.00 50.10 C ATOM 724 C LYS A 56 0.567 3.738 17.077 1.00 43.50 C ATOM 725 O LYS A 56 0.403 2.751 16.360 1.00 42.30 O ATOM 726 CB LYS A 56 -0.219 3.477 19.438 1.00 73.40 C ATOM 727 CG LYS A 56 -1.016 2.198 19.235 1.00 53.20 C ATOM 728 CD LYS A 56 -1.947 1.931 20.406 1.00 24.50 C ATOM 729 CE LYS A 56 -2.806 0.701 20.165 1.00 21.50 C ATOM 730 NZ LYS A 56 -3.019 -0.081 21.415 1.00 5.33 N ATOM 0 H LYS A 56 1.456 5.267 19.697 1.00 61.30 H new ATOM 0 HA LYS A 56 1.596 2.671 18.616 1.00 50.10 H new ATOM 0 HB2 LYS A 56 0.104 3.533 20.478 1.00 73.40 H new ATOM 0 HB3 LYS A 56 -0.870 4.333 19.259 1.00 73.40 H new ATOM 0 HG2 LYS A 56 -1.597 2.272 18.316 1.00 53.20 H new ATOM 0 HG3 LYS A 56 -0.333 1.358 19.113 1.00 53.20 H new ATOM 0 HD2 LYS A 56 -1.361 1.794 21.315 1.00 24.50 H new ATOM 0 HD3 LYS A 56 -2.588 2.798 20.568 1.00 24.50 H new ATOM 0 HE2 LYS A 56 -3.770 1.006 19.758 1.00 21.50 H new ATOM 0 HE3 LYS A 56 -2.331 0.067 19.417 1.00 21.50 H new ATOM 0 HZ1 LYS A 56 -3.610 -0.912 21.208 1.00 5.33 H new ATOM 0 HZ2 LYS A 56 -2.101 -0.394 21.790 1.00 5.33 H new ATOM 0 HZ3 LYS A 56 -3.496 0.516 22.121 1.00 5.33 H new ATOM 744 N ALA A 57 0.376 4.983 16.651 1.00 33.40 N ATOM 745 CA ALA A 57 -0.046 5.266 15.284 1.00 0.21 C ATOM 746 C ALA A 57 1.024 4.848 14.282 1.00 43.40 C ATOM 747 O ALA A 57 0.728 4.206 13.274 1.00 54.40 O ATOM 748 CB ALA A 57 -0.369 6.744 15.128 1.00 42.00 C ATOM 0 H ALA A 57 0.507 5.811 17.232 1.00 33.40 H new ATOM 0 HA ALA A 57 -0.945 4.685 15.079 1.00 0.21 H new ATOM 0 HB1 ALA A 57 -0.683 6.942 14.103 1.00 42.00 H new ATOM 0 HB2 ALA A 57 -1.173 7.015 15.812 1.00 42.00 H new ATOM 0 HB3 ALA A 57 0.517 7.336 15.357 1.00 42.00 H new ATOM 754 N LYS A 58 2.270 5.215 14.565 1.00 35.10 N ATOM 755 CA LYS A 58 3.385 4.878 13.688 1.00 54.00 C ATOM 756 C LYS A 58 3.526 3.366 13.545 1.00 3.43 C ATOM 757 O LYS A 58 3.756 2.855 12.449 1.00 42.10 O ATOM 758 CB LYS A 58 4.685 5.474 14.229 1.00 21.40 C ATOM 759 CG LYS A 58 4.681 6.993 14.285 1.00 73.30 C ATOM 760 CD LYS A 58 5.689 7.517 15.294 1.00 74.20 C ATOM 761 CE LYS A 58 5.764 9.035 15.271 1.00 30.30 C ATOM 762 NZ LYS A 58 7.031 9.538 15.871 1.00 24.30 N ATOM 0 H LYS A 58 2.533 5.746 15.395 1.00 35.10 H new ATOM 0 HA LYS A 58 3.182 5.301 12.704 1.00 54.00 H new ATOM 0 HB2 LYS A 58 4.866 5.082 15.230 1.00 21.40 H new ATOM 0 HB3 LYS A 58 5.514 5.144 13.603 1.00 21.40 H new ATOM 0 HG2 LYS A 58 4.910 7.395 13.298 1.00 73.30 H new ATOM 0 HG3 LYS A 58 3.684 7.346 14.549 1.00 73.30 H new ATOM 0 HD2 LYS A 58 5.413 7.181 16.293 1.00 74.20 H new ATOM 0 HD3 LYS A 58 6.672 7.100 15.077 1.00 74.20 H new ATOM 0 HE2 LYS A 58 5.685 9.387 14.242 1.00 30.30 H new ATOM 0 HE3 LYS A 58 4.915 9.449 15.816 1.00 30.30 H new ATOM 0 HZ1 LYS A 58 7.043 10.577 15.836 1.00 24.30 H new ATOM 0 HZ2 LYS A 58 7.095 9.224 16.860 1.00 24.30 H new ATOM 0 HZ3 LYS A 58 7.841 9.164 15.336 1.00 24.30 H new ATOM 776 N GLN A 59 3.387 2.655 14.659 1.00 23.00 N ATOM 777 CA GLN A 59 3.499 1.201 14.658 1.00 30.30 C ATOM 778 C GLN A 59 2.444 0.575 13.751 1.00 43.40 C ATOM 779 O GLN A 59 2.680 -0.462 13.132 1.00 1.42 O ATOM 780 CB GLN A 59 3.355 0.656 16.080 1.00 55.50 C ATOM 781 CG GLN A 59 4.672 0.564 16.832 1.00 60.30 C ATOM 782 CD GLN A 59 4.771 -0.689 17.681 1.00 1.11 C ATOM 783 OE1 GLN A 59 4.731 -0.624 18.910 1.00 34.00 O ATOM 784 NE2 GLN A 59 4.903 -1.838 17.028 1.00 43.20 N ATOM 0 H GLN A 59 3.196 3.062 15.575 1.00 23.00 H new ATOM 0 HA GLN A 59 4.485 0.938 14.274 1.00 30.30 H new ATOM 0 HB2 GLN A 59 2.671 1.296 16.638 1.00 55.50 H new ATOM 0 HB3 GLN A 59 2.901 -0.334 16.037 1.00 55.50 H new ATOM 0 HG2 GLN A 59 5.496 0.581 16.118 1.00 60.30 H new ATOM 0 HG3 GLN A 59 4.784 1.441 17.470 1.00 60.30 H new ATOM 0 HE21 GLN A 59 4.931 -1.845 16.008 1.00 43.20 H new ATOM 0 HE22 GLN A 59 4.976 -2.714 17.546 1.00 43.20 H new ATOM 793 N SER A 60 1.281 1.213 13.678 1.00 71.10 N ATOM 794 CA SER A 60 0.189 0.718 12.847 1.00 53.50 C ATOM 795 C SER A 60 0.519 0.874 11.366 1.00 15.30 C ATOM 796 O SER A 60 0.279 -0.032 10.568 1.00 73.30 O ATOM 797 CB SER A 60 -1.106 1.463 13.174 1.00 50.40 C ATOM 798 OG SER A 60 -2.227 0.600 13.089 1.00 55.20 O ATOM 0 H SER A 60 1.070 2.073 14.184 1.00 71.10 H new ATOM 0 HA SER A 60 0.054 -0.342 13.061 1.00 53.50 H new ATOM 0 HB2 SER A 60 -1.043 1.885 14.177 1.00 50.40 H new ATOM 0 HB3 SER A 60 -1.233 2.298 12.485 1.00 50.40 H new ATOM 0 HG SER A 60 -3.042 1.100 13.304 1.00 55.20 H new ATOM 804 N ILE A 61 1.072 2.028 11.006 1.00 23.50 N ATOM 805 CA ILE A 61 1.435 2.301 9.621 1.00 12.30 C ATOM 806 C ILE A 61 2.620 1.445 9.185 1.00 54.30 C ATOM 807 O ILE A 61 2.709 1.035 8.028 1.00 4.32 O ATOM 808 CB ILE A 61 1.786 3.788 9.414 1.00 63.30 C ATOM 809 CG1 ILE A 61 0.686 4.680 9.994 1.00 43.20 C ATOM 810 CG2 ILE A 61 1.991 4.084 7.936 1.00 53.50 C ATOM 811 CD1 ILE A 61 0.961 6.159 9.835 1.00 10.30 C ATOM 0 H ILE A 61 1.278 2.788 11.654 1.00 23.50 H new ATOM 0 HA ILE A 61 0.566 2.053 9.011 1.00 12.30 H new ATOM 0 HB ILE A 61 2.717 4.002 9.939 1.00 63.30 H new ATOM 0 HG12 ILE A 61 -0.259 4.440 9.507 1.00 43.20 H new ATOM 0 HG13 ILE A 61 0.566 4.453 11.053 1.00 43.20 H new ATOM 0 HG21 ILE A 61 2.238 5.138 7.807 1.00 53.50 H new ATOM 0 HG22 ILE A 61 2.806 3.470 7.552 1.00 53.50 H new ATOM 0 HG23 ILE A 61 1.076 3.856 7.389 1.00 53.50 H new ATOM 0 HD11 ILE A 61 0.140 6.730 10.269 1.00 10.30 H new ATOM 0 HD12 ILE A 61 1.890 6.413 10.346 1.00 10.30 H new ATOM 0 HD13 ILE A 61 1.051 6.400 8.776 1.00 10.30 H new ATOM 823 N ARG A 62 3.527 1.180 10.120 1.00 62.50 N ATOM 824 CA ARG A 62 4.706 0.371 9.832 1.00 2.14 C ATOM 825 C ARG A 62 4.307 -1.030 9.381 1.00 31.50 C ATOM 826 O ARG A 62 4.826 -1.545 8.391 1.00 74.00 O ATOM 827 CB ARG A 62 5.605 0.286 11.067 1.00 73.20 C ATOM 828 CG ARG A 62 6.629 1.405 11.152 1.00 63.30 C ATOM 829 CD ARG A 62 7.321 1.426 12.505 1.00 31.10 C ATOM 830 NE ARG A 62 8.733 1.784 12.394 1.00 45.20 N ATOM 831 CZ ARG A 62 9.683 0.940 12.001 1.00 34.20 C ATOM 832 NH1 ARG A 62 9.378 -0.312 11.682 1.00 54.10 N ATOM 833 NH2 ARG A 62 10.943 1.348 11.927 1.00 13.40 N ATOM 0 H ARG A 62 3.468 1.513 11.082 1.00 62.50 H new ATOM 0 HA ARG A 62 5.257 0.850 9.023 1.00 2.14 H new ATOM 0 HB2 ARG A 62 4.982 0.306 11.961 1.00 73.20 H new ATOM 0 HB3 ARG A 62 6.125 -0.672 11.062 1.00 73.20 H new ATOM 0 HG2 ARG A 62 7.372 1.280 10.364 1.00 63.30 H new ATOM 0 HG3 ARG A 62 6.138 2.363 10.978 1.00 63.30 H new ATOM 0 HD2 ARG A 62 6.817 2.138 13.159 1.00 31.10 H new ATOM 0 HD3 ARG A 62 7.232 0.446 12.973 1.00 31.10 H new ATOM 0 HE ARG A 62 9.007 2.737 12.632 1.00 45.20 H new ATOM 0 HH11 ARG A 62 8.411 -0.631 11.738 1.00 54.10 H new ATOM 0 HH12 ARG A 62 10.111 -0.955 11.381 1.00 54.10 H new ATOM 0 HH21 ARG A 62 11.183 2.309 12.171 1.00 13.40 H new ATOM 0 HH22 ARG A 62 11.672 0.701 11.626 1.00 13.40 H new ATOM 847 N ALA A 63 3.382 -1.641 10.113 1.00 51.10 N ATOM 848 CA ALA A 63 2.913 -2.982 9.788 1.00 65.40 C ATOM 849 C ALA A 63 2.159 -2.994 8.463 1.00 12.40 C ATOM 850 O ALA A 63 2.206 -3.973 7.719 1.00 52.30 O ATOM 851 CB ALA A 63 2.028 -3.516 10.905 1.00 44.10 C ATOM 0 H ALA A 63 2.942 -1.228 10.936 1.00 51.10 H new ATOM 0 HA ALA A 63 3.784 -3.630 9.687 1.00 65.40 H new ATOM 0 HB1 ALA A 63 1.685 -4.518 10.649 1.00 44.10 H new ATOM 0 HB2 ALA A 63 2.597 -3.553 11.834 1.00 44.10 H new ATOM 0 HB3 ALA A 63 1.168 -2.859 11.033 1.00 44.10 H new ATOM 857 N LYS A 64 1.465 -1.898 8.173 1.00 2.41 N ATOM 858 CA LYS A 64 0.701 -1.782 6.936 1.00 43.40 C ATOM 859 C LYS A 64 1.629 -1.589 5.740 1.00 70.30 C ATOM 860 O LYS A 64 1.436 -2.198 4.688 1.00 40.40 O ATOM 861 CB LYS A 64 -0.283 -0.614 7.027 1.00 13.40 C ATOM 862 CG LYS A 64 -1.446 -0.873 7.970 1.00 20.40 C ATOM 863 CD LYS A 64 -2.726 -0.224 7.467 1.00 25.20 C ATOM 864 CE LYS A 64 -2.787 1.249 7.838 1.00 34.20 C ATOM 865 NZ LYS A 64 -4.168 1.675 8.194 1.00 0.45 N ATOM 0 H LYS A 64 1.416 -1.078 8.778 1.00 2.41 H new ATOM 0 HA LYS A 64 0.143 -2.707 6.795 1.00 43.40 H new ATOM 0 HB2 LYS A 64 0.252 0.276 7.358 1.00 13.40 H new ATOM 0 HB3 LYS A 64 -0.673 -0.400 6.032 1.00 13.40 H new ATOM 0 HG2 LYS A 64 -1.598 -1.947 8.075 1.00 20.40 H new ATOM 0 HG3 LYS A 64 -1.206 -0.487 8.961 1.00 20.40 H new ATOM 0 HD2 LYS A 64 -2.788 -0.330 6.384 1.00 25.20 H new ATOM 0 HD3 LYS A 64 -3.588 -0.742 7.888 1.00 25.20 H new ATOM 0 HE2 LYS A 64 -2.120 1.439 8.679 1.00 34.20 H new ATOM 0 HE3 LYS A 64 -2.426 1.849 7.003 1.00 34.20 H new ATOM 0 HZ1 LYS A 64 -4.167 2.685 8.441 1.00 0.45 H new ATOM 0 HZ2 LYS A 64 -4.800 1.517 7.383 1.00 0.45 H new ATOM 0 HZ3 LYS A 64 -4.504 1.120 9.007 1.00 0.45 H new ATOM 879 N CYS A 65 2.634 -0.737 5.910 1.00 23.20 N ATOM 880 CA CYS A 65 3.592 -0.463 4.845 1.00 64.50 C ATOM 881 C CYS A 65 4.318 -1.737 4.426 1.00 75.30 C ATOM 882 O CYS A 65 4.709 -1.889 3.268 1.00 64.40 O ATOM 883 CB CYS A 65 4.605 0.589 5.300 1.00 4.01 C ATOM 884 SG CYS A 65 4.130 2.289 4.908 1.00 53.20 S ATOM 0 H CYS A 65 2.806 -0.224 6.775 1.00 23.20 H new ATOM 0 HA CYS A 65 3.042 -0.080 3.985 1.00 64.50 H new ATOM 0 HB2 CYS A 65 4.745 0.501 6.377 1.00 4.01 H new ATOM 0 HB3 CYS A 65 5.568 0.376 4.835 1.00 4.01 H new ATOM 0 HG CYS A 65 4.621 3.094 5.803 1.00 53.20 H new ATOM 890 N THR A 66 4.496 -2.651 5.374 1.00 72.40 N ATOM 891 CA THR A 66 5.176 -3.912 5.103 1.00 11.30 C ATOM 892 C THR A 66 4.201 -4.947 4.549 1.00 24.20 C ATOM 893 O THR A 66 4.578 -5.804 3.750 1.00 5.32 O ATOM 894 CB THR A 66 5.835 -4.445 6.376 1.00 3.12 C ATOM 895 OG1 THR A 66 6.473 -5.686 6.128 1.00 55.40 O ATOM 896 CG2 THR A 66 4.860 -4.650 7.514 1.00 23.20 C ATOM 0 H THR A 66 4.179 -2.542 6.337 1.00 72.40 H new ATOM 0 HA THR A 66 5.946 -3.727 4.354 1.00 11.30 H new ATOM 0 HB THR A 66 6.555 -3.682 6.670 1.00 3.12 H new ATOM 0 HG1 THR A 66 6.890 -6.010 6.953 1.00 55.40 H new ATOM 0 HG21 THR A 66 5.393 -5.029 8.386 1.00 23.20 H new ATOM 0 HG22 THR A 66 4.386 -3.700 7.763 1.00 23.20 H new ATOM 0 HG23 THR A 66 4.097 -5.368 7.214 1.00 23.20 H new ATOM 904 N GLU A 67 2.947 -4.861 4.980 1.00 53.30 N ATOM 905 CA GLU A 67 1.918 -5.790 4.527 1.00 30.30 C ATOM 906 C GLU A 67 1.583 -5.556 3.058 1.00 22.40 C ATOM 907 O GLU A 67 1.522 -6.498 2.267 1.00 52.10 O ATOM 908 CB GLU A 67 0.657 -5.642 5.380 1.00 0.11 C ATOM 909 CG GLU A 67 -0.456 -6.601 4.992 1.00 65.20 C ATOM 910 CD GLU A 67 -1.382 -6.919 6.150 1.00 2.43 C ATOM 911 OE1 GLU A 67 -2.125 -6.013 6.582 1.00 52.20 O ATOM 912 OE2 GLU A 67 -1.363 -8.074 6.625 1.00 21.20 O ATOM 0 H GLU A 67 2.619 -4.158 5.642 1.00 53.30 H new ATOM 0 HA GLU A 67 2.305 -6.803 4.636 1.00 30.30 H new ATOM 0 HB2 GLU A 67 0.915 -5.803 6.427 1.00 0.11 H new ATOM 0 HB3 GLU A 67 0.290 -4.619 5.296 1.00 0.11 H new ATOM 0 HG2 GLU A 67 -1.036 -6.168 4.177 1.00 65.20 H new ATOM 0 HG3 GLU A 67 -0.019 -7.526 4.617 1.00 65.20 H new ATOM 919 N TYR A 68 1.365 -4.295 2.699 1.00 54.30 N ATOM 920 CA TYR A 68 1.036 -3.937 1.325 1.00 22.10 C ATOM 921 C TYR A 68 2.251 -4.090 0.416 1.00 54.40 C ATOM 922 O TYR A 68 2.136 -4.551 -0.720 1.00 74.10 O ATOM 923 CB TYR A 68 0.514 -2.501 1.261 1.00 2.44 C ATOM 924 CG TYR A 68 -0.639 -2.232 2.201 1.00 4.42 C ATOM 925 CD1 TYR A 68 -1.675 -3.147 2.340 1.00 23.30 C ATOM 926 CD2 TYR A 68 -0.690 -1.063 2.951 1.00 33.20 C ATOM 927 CE1 TYR A 68 -2.730 -2.904 3.198 1.00 34.40 C ATOM 928 CE2 TYR A 68 -1.742 -0.814 3.812 1.00 53.20 C ATOM 929 CZ TYR A 68 -2.759 -1.737 3.932 1.00 72.20 C ATOM 930 OH TYR A 68 -3.809 -1.493 4.788 1.00 62.10 O ATOM 0 H TYR A 68 1.410 -3.504 3.341 1.00 54.30 H new ATOM 0 HA TYR A 68 0.257 -4.615 0.976 1.00 22.10 H new ATOM 0 HB2 TYR A 68 1.329 -1.816 1.495 1.00 2.44 H new ATOM 0 HB3 TYR A 68 0.198 -2.284 0.241 1.00 2.44 H new ATOM 0 HD1 TYR A 68 -1.655 -4.063 1.768 1.00 23.30 H new ATOM 0 HD2 TYR A 68 0.105 -0.338 2.860 1.00 33.20 H new ATOM 0 HE1 TYR A 68 -3.529 -3.625 3.294 1.00 34.40 H new ATOM 0 HE2 TYR A 68 -1.767 0.099 4.388 1.00 53.20 H new ATOM 0 HH TYR A 68 -3.722 -2.060 5.582 1.00 62.10 H new ATOM 940 N LEU A 69 3.416 -3.702 0.924 1.00 63.40 N ATOM 941 CA LEU A 69 4.654 -3.796 0.158 1.00 73.10 C ATOM 942 C LEU A 69 4.944 -5.242 -0.231 1.00 22.10 C ATOM 943 O LEU A 69 5.307 -5.527 -1.372 1.00 53.20 O ATOM 944 CB LEU A 69 5.823 -3.228 0.965 1.00 34.40 C ATOM 945 CG LEU A 69 6.010 -1.714 0.856 1.00 31.20 C ATOM 946 CD1 LEU A 69 7.001 -1.223 1.900 1.00 73.30 C ATOM 947 CD2 LEU A 69 6.474 -1.335 -0.542 1.00 33.10 C ATOM 0 H LEU A 69 3.529 -3.319 1.863 1.00 63.40 H new ATOM 0 HA LEU A 69 4.533 -3.210 -0.753 1.00 73.10 H new ATOM 0 HB2 LEU A 69 5.680 -3.486 2.014 1.00 34.40 H new ATOM 0 HB3 LEU A 69 6.741 -3.717 0.639 1.00 34.40 H new ATOM 0 HG LEU A 69 5.050 -1.233 1.042 1.00 31.20 H new ATOM 0 HD11 LEU A 69 7.122 -0.144 1.808 1.00 73.30 H new ATOM 0 HD12 LEU A 69 6.629 -1.463 2.896 1.00 73.30 H new ATOM 0 HD13 LEU A 69 7.964 -1.710 1.745 1.00 73.30 H new ATOM 0 HD21 LEU A 69 6.602 -0.254 -0.602 1.00 33.10 H new ATOM 0 HD22 LEU A 69 7.424 -1.826 -0.756 1.00 33.10 H new ATOM 0 HD23 LEU A 69 5.729 -1.653 -1.271 1.00 33.10 H new ATOM 959 N ASP A 70 4.781 -6.151 0.725 1.00 30.00 N ATOM 960 CA ASP A 70 5.025 -7.568 0.482 1.00 35.50 C ATOM 961 C ASP A 70 4.070 -8.111 -0.576 1.00 5.35 C ATOM 962 O ASP A 70 4.459 -8.915 -1.423 1.00 12.00 O ATOM 963 CB ASP A 70 4.874 -8.363 1.780 1.00 21.40 C ATOM 964 CG ASP A 70 5.756 -9.595 1.810 1.00 71.20 C ATOM 965 OD1 ASP A 70 5.413 -10.580 1.132 1.00 13.10 O ATOM 966 OD2 ASP A 70 6.789 -9.569 2.510 1.00 61.40 O ATOM 0 H ASP A 70 4.481 -5.932 1.675 1.00 30.00 H new ATOM 0 HA ASP A 70 6.045 -7.678 0.114 1.00 35.50 H new ATOM 0 HB2 ASP A 70 5.121 -7.722 2.626 1.00 21.40 H new ATOM 0 HB3 ASP A 70 3.833 -8.662 1.900 1.00 21.40 H new ATOM 971 N ARG A 71 2.819 -7.668 -0.519 1.00 61.30 N ATOM 972 CA ARG A 71 1.807 -8.110 -1.472 1.00 1.01 C ATOM 973 C ARG A 71 2.052 -7.499 -2.848 1.00 13.20 C ATOM 974 O ARG A 71 2.069 -8.203 -3.857 1.00 5.01 O ATOM 975 CB ARG A 71 0.410 -7.735 -0.976 1.00 21.40 C ATOM 976 CG ARG A 71 -0.709 -8.468 -1.697 1.00 61.50 C ATOM 977 CD ARG A 71 -0.950 -9.844 -1.097 1.00 72.00 C ATOM 978 NE ARG A 71 -2.308 -10.320 -1.347 1.00 70.20 N ATOM 979 CZ ARG A 71 -2.775 -11.490 -0.916 1.00 61.30 C ATOM 980 NH1 ARG A 71 -1.998 -12.300 -0.212 1.00 44.00 N ATOM 981 NH2 ARG A 71 -4.023 -11.840 -1.188 1.00 11.10 N ATOM 0 H ARG A 71 2.481 -7.003 0.177 1.00 61.30 H new ATOM 0 HA ARG A 71 1.875 -9.194 -1.558 1.00 1.01 H new ATOM 0 HB2 ARG A 71 0.343 -7.947 0.091 1.00 21.40 H new ATOM 0 HB3 ARG A 71 0.267 -6.661 -1.097 1.00 21.40 H new ATOM 0 HG2 ARG A 71 -1.625 -7.880 -1.642 1.00 61.50 H new ATOM 0 HG3 ARG A 71 -0.458 -8.569 -2.753 1.00 61.50 H new ATOM 0 HD2 ARG A 71 -0.235 -10.552 -1.515 1.00 72.00 H new ATOM 0 HD3 ARG A 71 -0.771 -9.807 -0.022 1.00 72.00 H new ATOM 0 HE ARG A 71 -2.936 -9.721 -1.883 1.00 70.20 H new ATOM 0 HH11 ARG A 71 -1.038 -12.028 0.002 1.00 44.00 H new ATOM 0 HH12 ARG A 71 -2.359 -13.195 0.116 1.00 44.00 H new ATOM 0 HH21 ARG A 71 -4.623 -11.214 -1.726 1.00 11.10 H new ATOM 0 HH22 ARG A 71 -4.385 -12.735 -0.860 1.00 11.10 H new ATOM 995 N ALA A 72 2.241 -6.184 -2.881 1.00 44.40 N ATOM 996 CA ALA A 72 2.485 -5.477 -4.132 1.00 44.10 C ATOM 997 C ALA A 72 3.808 -5.908 -4.756 1.00 4.21 C ATOM 998 O ALA A 72 3.915 -6.047 -5.975 1.00 64.40 O ATOM 999 CB ALA A 72 2.473 -3.974 -3.901 1.00 24.30 C ATOM 0 H ALA A 72 2.230 -5.586 -2.055 1.00 44.40 H new ATOM 0 HA ALA A 72 1.685 -5.732 -4.827 1.00 44.10 H new ATOM 0 HB1 ALA A 72 2.657 -3.459 -4.844 1.00 24.30 H new ATOM 0 HB2 ALA A 72 1.502 -3.674 -3.507 1.00 24.30 H new ATOM 0 HB3 ALA A 72 3.252 -3.710 -3.186 1.00 24.30 H new ATOM 1005 N GLU A 73 4.814 -6.117 -3.913 1.00 51.40 N ATOM 1006 CA GLU A 73 6.131 -6.532 -4.382 1.00 24.50 C ATOM 1007 C GLU A 73 6.052 -7.865 -5.119 1.00 51.00 C ATOM 1008 O GLU A 73 6.712 -8.063 -6.138 1.00 14.10 O ATOM 1009 CB GLU A 73 7.103 -6.642 -3.206 1.00 1.12 C ATOM 1010 CG GLU A 73 7.677 -5.306 -2.763 1.00 3.51 C ATOM 1011 CD GLU A 73 9.091 -5.085 -3.262 1.00 62.20 C ATOM 1012 OE1 GLU A 73 9.836 -6.079 -3.396 1.00 14.30 O ATOM 1013 OE2 GLU A 73 9.454 -3.918 -3.520 1.00 42.40 O ATOM 0 H GLU A 73 4.742 -6.006 -2.902 1.00 51.40 H new ATOM 0 HA GLU A 73 6.496 -5.776 -5.077 1.00 24.50 H new ATOM 0 HB2 GLU A 73 6.589 -7.105 -2.363 1.00 1.12 H new ATOM 0 HB3 GLU A 73 7.922 -7.306 -3.483 1.00 1.12 H new ATOM 0 HG2 GLU A 73 7.038 -4.502 -3.126 1.00 3.51 H new ATOM 0 HG3 GLU A 73 7.667 -5.254 -1.674 1.00 3.51 H new ATOM 1020 N LYS A 74 5.239 -8.777 -4.595 1.00 60.30 N ATOM 1021 CA LYS A 74 5.073 -10.090 -5.202 1.00 70.00 C ATOM 1022 C LYS A 74 4.293 -9.993 -6.510 1.00 73.40 C ATOM 1023 O LYS A 74 4.627 -10.650 -7.495 1.00 2.23 O ATOM 1024 CB LYS A 74 4.354 -11.030 -4.237 1.00 42.50 C ATOM 1025 CG LYS A 74 5.183 -11.400 -3.019 1.00 61.40 C ATOM 1026 CD LYS A 74 4.357 -12.160 -1.993 1.00 12.30 C ATOM 1027 CE LYS A 74 5.236 -12.780 -0.918 1.00 2.31 C ATOM 1028 NZ LYS A 74 4.434 -13.290 0.227 1.00 71.30 N ATOM 0 H LYS A 74 4.685 -8.629 -3.751 1.00 60.30 H new ATOM 0 HA LYS A 74 6.063 -10.489 -5.421 1.00 70.00 H new ATOM 0 HB2 LYS A 74 3.428 -10.560 -3.907 1.00 42.50 H new ATOM 0 HB3 LYS A 74 4.077 -11.941 -4.768 1.00 42.50 H new ATOM 0 HG2 LYS A 74 6.033 -12.009 -3.327 1.00 61.40 H new ATOM 0 HG3 LYS A 74 5.587 -10.496 -2.564 1.00 61.40 H new ATOM 0 HD2 LYS A 74 3.637 -11.484 -1.531 1.00 12.30 H new ATOM 0 HD3 LYS A 74 3.785 -12.942 -2.492 1.00 12.30 H new ATOM 0 HE2 LYS A 74 5.815 -13.597 -1.349 1.00 2.31 H new ATOM 0 HE3 LYS A 74 5.950 -12.038 -0.560 1.00 2.31 H new ATOM 0 HZ1 LYS A 74 4.848 -14.179 0.572 1.00 71.30 H new ATOM 0 HZ2 LYS A 74 4.436 -12.586 0.993 1.00 71.30 H new ATOM 0 HZ3 LYS A 74 3.456 -13.461 -0.083 1.00 71.30 H new ATOM 1042 N LEU A 75 3.253 -9.165 -6.512 1.00 25.40 N ATOM 1043 CA LEU A 75 2.426 -8.980 -7.698 1.00 23.50 C ATOM 1044 C LEU A 75 3.263 -8.475 -8.870 1.00 20.50 C ATOM 1045 O LEU A 75 3.233 -9.047 -9.959 1.00 72.10 O ATOM 1046 CB LEU A 75 1.288 -7.998 -7.405 1.00 72.50 C ATOM 1047 CG LEU A 75 -0.048 -8.647 -7.041 1.00 60.30 C ATOM 1048 CD1 LEU A 75 0.039 -9.324 -5.682 1.00 52.30 C ATOM 1049 CD2 LEU A 75 -1.162 -7.612 -7.053 1.00 73.10 C ATOM 0 H LEU A 75 2.963 -8.612 -5.705 1.00 25.40 H new ATOM 0 HA LEU A 75 2.000 -9.946 -7.969 1.00 23.50 H new ATOM 0 HB2 LEU A 75 1.593 -7.346 -6.587 1.00 72.50 H new ATOM 0 HB3 LEU A 75 1.141 -7.364 -8.280 1.00 72.50 H new ATOM 0 HG LEU A 75 -0.277 -9.408 -7.788 1.00 60.30 H new ATOM 0 HD11 LEU A 75 -0.921 -9.780 -5.441 1.00 52.30 H new ATOM 0 HD12 LEU A 75 0.810 -10.094 -5.708 1.00 52.30 H new ATOM 0 HD13 LEU A 75 0.291 -8.584 -4.922 1.00 52.30 H new ATOM 0 HD21 LEU A 75 -2.106 -8.090 -6.792 1.00 73.10 H new ATOM 0 HD22 LEU A 75 -0.939 -6.829 -6.328 1.00 73.10 H new ATOM 0 HD23 LEU A 75 -1.241 -7.173 -8.048 1.00 73.10 H new ATOM 1061 N LYS A 76 4.010 -7.401 -8.637 1.00 75.20 N ATOM 1062 CA LYS A 76 4.856 -6.821 -9.673 1.00 65.30 C ATOM 1063 C LYS A 76 5.931 -7.811 -10.110 1.00 75.30 C ATOM 1064 O LYS A 76 6.401 -7.769 -11.240 1.00 52.20 O ATOM 1065 CB LYS A 76 5.509 -5.533 -9.167 1.00 23.50 C ATOM 1066 CG LYS A 76 6.437 -5.746 -7.982 1.00 74.40 C ATOM 1067 CD LYS A 76 7.030 -4.434 -7.496 1.00 1.34 C ATOM 1068 CE LYS A 76 8.347 -4.127 -8.191 1.00 34.00 C ATOM 1069 NZ LYS A 76 9.185 -3.184 -7.400 1.00 42.10 N ATOM 0 H LYS A 76 4.047 -6.915 -7.741 1.00 75.20 H new ATOM 0 HA LYS A 76 4.228 -6.587 -10.533 1.00 65.30 H new ATOM 0 HB2 LYS A 76 6.072 -5.077 -9.981 1.00 23.50 H new ATOM 0 HB3 LYS A 76 4.728 -4.827 -8.884 1.00 23.50 H new ATOM 0 HG2 LYS A 76 5.888 -6.221 -7.169 1.00 74.40 H new ATOM 0 HG3 LYS A 76 7.240 -6.427 -8.265 1.00 74.40 H new ATOM 0 HD2 LYS A 76 6.324 -3.624 -7.679 1.00 1.34 H new ATOM 0 HD3 LYS A 76 7.188 -4.482 -6.419 1.00 1.34 H new ATOM 0 HE2 LYS A 76 8.897 -5.054 -8.352 1.00 34.00 H new ATOM 0 HE3 LYS A 76 8.148 -3.699 -9.174 1.00 34.00 H new ATOM 0 HZ1 LYS A 76 10.074 -3.000 -7.908 1.00 42.10 H new ATOM 0 HZ2 LYS A 76 8.671 -2.290 -7.267 1.00 42.10 H new ATOM 0 HZ3 LYS A 76 9.397 -3.603 -6.472 1.00 42.10 H new ATOM 1083 N GLU A 77 6.316 -8.701 -9.201 1.00 11.20 N ATOM 1084 CA GLU A 77 7.336 -9.702 -9.493 1.00 61.30 C ATOM 1085 C GLU A 77 6.927 -10.570 -10.670 1.00 33.10 C ATOM 1086 O GLU A 77 7.682 -10.720 -11.630 1.00 33.10 O ATOM 1087 CB GLU A 77 7.585 -10.570 -8.264 1.00 64.00 C ATOM 1088 CG GLU A 77 8.977 -11.180 -8.223 1.00 72.10 C ATOM 1089 CD GLU A 77 8.996 -12.550 -7.570 1.00 41.40 C ATOM 1090 OE1 GLU A 77 8.583 -12.650 -6.395 1.00 43.30 O ATOM 1091 OE2 GLU A 77 9.422 -13.520 -8.233 1.00 50.20 O ATOM 0 H GLU A 77 5.937 -8.749 -8.255 1.00 11.20 H new ATOM 0 HA GLU A 77 8.257 -9.182 -9.757 1.00 61.30 H new ATOM 0 HB2 GLU A 77 7.434 -9.968 -7.368 1.00 64.00 H new ATOM 0 HB3 GLU A 77 6.846 -11.370 -8.239 1.00 64.00 H new ATOM 0 HG2 GLU A 77 9.364 -11.261 -9.239 1.00 72.10 H new ATOM 0 HG3 GLU A 77 9.646 -10.513 -7.679 1.00 72.10 H new ATOM 1098 N TYR A 78 5.730 -11.140 -10.600 1.00 54.30 N ATOM 1099 CA TYR A 78 5.229 -12.000 -11.670 1.00 75.30 C ATOM 1100 C TYR A 78 4.600 -11.170 -12.780 1.00 1.54 C ATOM 1101 O TYR A 78 4.674 -11.530 -13.960 1.00 41.10 O ATOM 1102 CB TYR A 78 4.216 -13.010 -11.110 1.00 74.10 C ATOM 1103 CG TYR A 78 2.811 -12.460 -10.950 1.00 52.30 C ATOM 1104 CD1 TYR A 78 1.965 -12.340 -12.050 1.00 63.20 C ATOM 1105 CD2 TYR A 78 2.333 -12.080 -9.709 1.00 62.10 C ATOM 1106 CE1 TYR A 78 0.682 -11.840 -11.900 1.00 23.30 C ATOM 1107 CE2 TYR A 78 1.050 -11.580 -9.559 1.00 14.20 C ATOM 1108 CZ TYR A 78 0.230 -11.470 -10.660 1.00 12.20 C ATOM 1109 OH TYR A 78 -1.047 -10.980 -10.510 1.00 34.40 O ATOM 0 H TYR A 78 5.088 -11.024 -9.816 1.00 54.30 H new ATOM 0 HA TYR A 78 6.070 -12.549 -12.093 1.00 75.30 H new ATOM 0 HB2 TYR A 78 4.182 -13.877 -11.770 1.00 74.10 H new ATOM 0 HB3 TYR A 78 4.569 -13.362 -10.140 1.00 74.10 H new ATOM 0 HD1 TYR A 78 2.312 -12.639 -13.028 1.00 63.20 H new ATOM 0 HD2 TYR A 78 2.971 -12.175 -8.843 1.00 62.10 H new ATOM 0 HE1 TYR A 78 0.037 -11.742 -12.761 1.00 23.30 H new ATOM 0 HE2 TYR A 78 0.695 -11.278 -8.585 1.00 14.20 H new ATOM 0 HH TYR A 78 -1.469 -11.400 -9.731 1.00 34.40 H new ATOM 1119 N LEU A 79 3.981 -10.050 -12.410 1.00 4.31 N ATOM 1120 CA LEU A 79 3.339 -9.173 -13.370 1.00 63.20 C ATOM 1121 C LEU A 79 4.372 -8.540 -14.300 1.00 22.30 C ATOM 1122 O LEU A 79 4.119 -8.350 -15.490 1.00 52.30 O ATOM 1123 CB LEU A 79 2.547 -8.081 -12.650 1.00 74.20 C ATOM 1124 CG LEU A 79 1.160 -8.503 -12.170 1.00 3.24 C ATOM 1125 CD1 LEU A 79 0.584 -7.457 -11.220 1.00 11.00 C ATOM 1126 CD2 LEU A 79 0.228 -8.734 -13.350 1.00 71.30 C ATOM 0 H LEU A 79 3.914 -9.733 -11.443 1.00 4.31 H new ATOM 0 HA LEU A 79 2.652 -9.771 -13.969 1.00 63.20 H new ATOM 0 HB2 LEU A 79 3.125 -7.740 -11.791 1.00 74.20 H new ATOM 0 HB3 LEU A 79 2.440 -7.228 -13.320 1.00 74.20 H new ATOM 0 HG LEU A 79 1.255 -9.444 -11.627 1.00 3.24 H new ATOM 0 HD11 LEU A 79 -0.405 -7.773 -10.887 1.00 11.00 H new ATOM 0 HD12 LEU A 79 1.240 -7.349 -10.356 1.00 11.00 H new ATOM 0 HD13 LEU A 79 0.504 -6.501 -11.737 1.00 11.00 H new ATOM 0 HD21 LEU A 79 -0.754 -9.034 -12.985 1.00 71.30 H new ATOM 0 HD22 LEU A 79 0.135 -7.813 -13.926 1.00 71.30 H new ATOM 0 HD23 LEU A 79 0.634 -9.521 -13.986 1.00 71.30 H new ATOM 1138 N LYS A 80 5.536 -8.216 -13.750 1.00 12.40 N ATOM 1139 CA LYS A 80 6.608 -7.604 -14.530 1.00 23.20 C ATOM 1140 C LYS A 80 7.403 -8.662 -15.280 1.00 1.14 C ATOM 1141 O LYS A 80 7.917 -8.405 -16.370 1.00 2.42 O ATOM 1142 CB LYS A 80 7.540 -6.808 -13.610 1.00 3.11 C ATOM 1143 CG LYS A 80 8.364 -5.762 -14.340 1.00 21.10 C ATOM 1144 CD LYS A 80 7.586 -4.469 -14.530 1.00 70.10 C ATOM 1145 CE LYS A 80 7.930 -3.453 -13.450 1.00 61.30 C ATOM 1146 NZ LYS A 80 6.968 -3.501 -12.310 1.00 44.30 N ATOM 0 H LYS A 80 5.763 -8.366 -12.767 1.00 12.40 H new ATOM 0 HA LYS A 80 6.158 -6.929 -15.258 1.00 23.20 H new ATOM 0 HB2 LYS A 80 6.945 -6.317 -12.840 1.00 3.11 H new ATOM 0 HB3 LYS A 80 8.213 -7.499 -13.102 1.00 3.11 H new ATOM 0 HG2 LYS A 80 9.276 -5.559 -13.778 1.00 21.10 H new ATOM 0 HG3 LYS A 80 8.668 -6.151 -15.312 1.00 21.10 H new ATOM 0 HD2 LYS A 80 7.808 -4.049 -15.511 1.00 70.10 H new ATOM 0 HD3 LYS A 80 6.517 -4.679 -14.508 1.00 70.10 H new ATOM 0 HE2 LYS A 80 8.938 -3.643 -13.082 1.00 61.30 H new ATOM 0 HE3 LYS A 80 7.931 -2.452 -13.881 1.00 61.30 H new ATOM 0 HZ1 LYS A 80 7.188 -2.738 -11.638 1.00 44.30 H new ATOM 0 HZ2 LYS A 80 5.999 -3.379 -12.668 1.00 44.30 H new ATOM 0 HZ3 LYS A 80 7.046 -4.420 -11.829 1.00 44.30 H new ATOM 1160 N ASN A 81 7.499 -9.853 -14.700 1.00 3.05 N ATOM 1161 CA ASN A 81 8.231 -10.950 -15.320 1.00 43.50 C ATOM 1162 C ASN A 81 7.509 -11.450 -16.570 1.00 53.20 C ATOM 1163 O ASN A 81 8.131 -11.690 -17.600 1.00 45.40 O ATOM 1164 CB ASN A 81 8.410 -12.090 -14.330 1.00 42.40 C ATOM 1165 CG ASN A 81 9.307 -13.190 -14.870 1.00 42.10 C ATOM 1166 OD1 ASN A 81 8.846 -14.290 -15.180 1.00 51.00 O ATOM 1167 ND2 ASN A 81 10.598 -12.900 -14.980 1.00 55.40 N ATOM 0 H ASN A 81 7.078 -10.083 -13.800 1.00 3.05 H new ATOM 0 HA ASN A 81 9.212 -10.579 -15.616 1.00 43.50 H new ATOM 0 HB2 ASN A 81 8.834 -11.701 -13.404 1.00 42.40 H new ATOM 0 HB3 ASN A 81 7.435 -12.509 -14.082 1.00 42.40 H new ATOM 0 HD21 ASN A 81 11.250 -13.601 -15.333 1.00 55.40 H new ATOM 0 HD22 ASN A 81 10.938 -11.976 -14.712 1.00 55.40 H new TER 1174 ASN A 81