USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 840 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 80 THR OG1 : rot -78:sc= 0.729 USER MOD Set 1.2: A 85 THR OG1 : rot 180:sc= 0.641 USER MOD Set 2.1: A 21 ASN : amide:sc= -1.66! K(o=-1.7!,f=0.26) USER MOD Set 2.2: A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.0712 X(o=-0.071,f=-0.21) USER MOD Single : A 17 GLN : amide:sc= -1.15 K(o=-1.1,f=-0.12) USER MOD Single : A 20 LYS NZ :NH3+ -172:sc= 0.0983 (180deg=0.093) USER MOD Single : A 28 GLN : amide:sc= 0.82 K(o=0.82,f=-2.3!) USER MOD Single : A 32 ASN : amide:sc= -0.0761 X(o=-0.076,f=-0.32) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= -0.353 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 46 HIS : no HE2:sc= 0.531 K(o=0.53,f=-1.8!) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 52 LYS NZ :NH3+ -114:sc= 0.172 (180deg=0.0534) USER MOD Single : A 53 GLN : amide:sc= -2.26! K(o=-2.3!,f=-0.94) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 140:sc= 0.454 (180deg=-0.0492) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0012 USER MOD Single : A 69 ASN : amide:sc=-0.00677 K(o=-0.0068,f=-2.8!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -1.54! C(o=-1.5!,f=-3.5!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 64:sc= 0.465 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -30:sc= -0.441 USER MOD Single : A 87 ASN : amide:sc= 0.0514 X(o=0.051,f=0) USER MOD Single : A 88 THR OG1 : rot 155:sc= 0.103 USER MOD Single : A 89 THR OG1 : rot -19:sc= 0.143 USER MOD Single : A 90 TYR OH : rot 37:sc= 0.331 USER MOD Single : A 100 THR OG1 : rot 180:sc=-0.00437 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 109 ASN : amide:sc= -2.89! K(o=-2.9!,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 37 N ASP A 3 7.096 -14.299 -5.083 1.00 73.43 N ATOM 38 CA ASP A 3 7.958 -13.160 -5.420 1.00 73.12 C ATOM 39 C ASP A 3 7.788 -12.069 -4.355 1.00 14.15 C ATOM 40 O ASP A 3 7.218 -11.020 -4.616 1.00 30.23 O ATOM 41 CB ASP A 3 7.591 -12.639 -6.837 1.00 33.11 C ATOM 42 CG ASP A 3 7.571 -13.759 -7.891 1.00 32.42 C ATOM 43 OD1 ASP A 3 6.577 -14.525 -7.929 1.00 72.53 O ATOM 44 OD2 ASP A 3 8.544 -13.895 -8.666 1.00 55.05 O ATOM 0 HA ASP A 3 9.005 -13.463 -5.433 1.00 73.12 H new ATOM 0 HB2 ASP A 3 6.612 -12.160 -6.802 1.00 33.11 H new ATOM 0 HB3 ASP A 3 8.309 -11.876 -7.137 1.00 33.11 H new ATOM 49 N ILE A 4 8.305 -12.372 -3.157 1.00 22.55 N ATOM 50 CA ILE A 4 8.137 -11.589 -1.917 1.00 72.55 C ATOM 51 C ILE A 4 8.404 -10.072 -2.111 1.00 74.32 C ATOM 52 O ILE A 4 7.579 -9.238 -1.706 1.00 62.44 O ATOM 53 CB ILE A 4 9.071 -12.200 -0.787 1.00 3.31 C ATOM 54 CG1 ILE A 4 8.606 -13.651 -0.395 1.00 45.03 C ATOM 55 CG2 ILE A 4 9.176 -11.294 0.459 1.00 23.53 C ATOM 56 CD1 ILE A 4 7.184 -13.753 0.147 1.00 22.25 C ATOM 0 H ILE A 4 8.877 -13.205 -3.015 1.00 22.55 H new ATOM 0 HA ILE A 4 7.093 -11.663 -1.614 1.00 72.55 H new ATOM 0 HB ILE A 4 10.074 -12.260 -1.211 1.00 3.31 H new ATOM 0 HG12 ILE A 4 8.690 -14.292 -1.273 1.00 45.03 H new ATOM 0 HG13 ILE A 4 9.292 -14.045 0.354 1.00 45.03 H new ATOM 0 HG21 ILE A 4 9.827 -11.764 1.196 1.00 23.53 H new ATOM 0 HG22 ILE A 4 9.590 -10.328 0.172 1.00 23.53 H new ATOM 0 HG23 ILE A 4 8.185 -11.151 0.889 1.00 23.53 H new ATOM 0 HD11 ILE A 4 6.960 -14.792 0.387 1.00 22.25 H new ATOM 0 HD12 ILE A 4 7.093 -13.145 1.047 1.00 22.25 H new ATOM 0 HD13 ILE A 4 6.481 -13.395 -0.605 1.00 22.25 H new ATOM 68 N VAL A 5 9.523 -9.747 -2.784 1.00 24.14 N ATOM 69 CA VAL A 5 9.967 -8.358 -3.002 1.00 42.53 C ATOM 70 C VAL A 5 8.978 -7.605 -3.913 1.00 22.44 C ATOM 71 O VAL A 5 8.414 -6.573 -3.527 1.00 35.31 O ATOM 72 CB VAL A 5 11.399 -8.322 -3.660 1.00 34.22 C ATOM 73 CG1 VAL A 5 11.915 -6.872 -3.814 1.00 34.02 C ATOM 74 CG2 VAL A 5 12.404 -9.197 -2.876 1.00 52.14 C ATOM 0 H VAL A 5 10.147 -10.443 -3.193 1.00 24.14 H new ATOM 0 HA VAL A 5 10.006 -7.871 -2.028 1.00 42.53 H new ATOM 0 HB VAL A 5 11.308 -8.745 -4.660 1.00 34.22 H new ATOM 0 HG11 VAL A 5 12.905 -6.885 -4.271 1.00 34.02 H new ATOM 0 HG12 VAL A 5 11.230 -6.307 -4.447 1.00 34.02 H new ATOM 0 HG13 VAL A 5 11.974 -6.401 -2.833 1.00 34.02 H new ATOM 0 HG21 VAL A 5 13.381 -9.149 -3.357 1.00 52.14 H new ATOM 0 HG22 VAL A 5 12.485 -8.830 -1.853 1.00 52.14 H new ATOM 0 HG23 VAL A 5 12.056 -10.230 -2.864 1.00 52.14 H new ATOM 84 N GLU A 6 8.753 -8.176 -5.107 1.00 13.32 N ATOM 85 CA GLU A 6 8.007 -7.517 -6.195 1.00 43.44 C ATOM 86 C GLU A 6 6.490 -7.499 -5.919 1.00 4.34 C ATOM 87 O GLU A 6 5.778 -6.586 -6.359 1.00 74.22 O ATOM 88 CB GLU A 6 8.321 -8.235 -7.529 1.00 61.35 C ATOM 89 CG GLU A 6 7.788 -7.534 -8.799 1.00 42.22 C ATOM 90 CD GLU A 6 8.320 -6.100 -8.988 1.00 51.03 C ATOM 91 OE1 GLU A 6 7.506 -5.157 -9.091 1.00 73.31 O ATOM 92 OE2 GLU A 6 9.556 -5.913 -9.030 1.00 13.13 O ATOM 0 H GLU A 6 9.084 -9.111 -5.347 1.00 13.32 H new ATOM 0 HA GLU A 6 8.325 -6.476 -6.258 1.00 43.44 H new ATOM 0 HB2 GLU A 6 9.402 -8.341 -7.619 1.00 61.35 H new ATOM 0 HB3 GLU A 6 7.904 -9.241 -7.488 1.00 61.35 H new ATOM 0 HG2 GLU A 6 8.057 -8.129 -9.671 1.00 42.22 H new ATOM 0 HG3 GLU A 6 6.699 -7.505 -8.757 1.00 42.22 H new ATOM 99 N ALA A 7 6.016 -8.510 -5.177 1.00 41.40 N ATOM 100 CA ALA A 7 4.608 -8.632 -4.783 1.00 33.43 C ATOM 101 C ALA A 7 4.236 -7.508 -3.812 1.00 12.23 C ATOM 102 O ALA A 7 3.217 -6.856 -3.981 1.00 5.41 O ATOM 103 CB ALA A 7 4.347 -10.009 -4.159 1.00 50.41 C ATOM 0 H ALA A 7 6.603 -9.269 -4.832 1.00 41.40 H new ATOM 0 HA ALA A 7 3.981 -8.540 -5.670 1.00 33.43 H new ATOM 0 HB1 ALA A 7 3.298 -10.085 -3.871 1.00 50.41 H new ATOM 0 HB2 ALA A 7 4.582 -10.788 -4.885 1.00 50.41 H new ATOM 0 HB3 ALA A 7 4.975 -10.134 -3.277 1.00 50.41 H new ATOM 109 N ALA A 8 5.114 -7.272 -2.825 1.00 54.32 N ATOM 110 CA ALA A 8 4.927 -6.225 -1.804 1.00 3.11 C ATOM 111 C ALA A 8 5.041 -4.816 -2.402 1.00 51.12 C ATOM 112 O ALA A 8 4.380 -3.885 -1.940 1.00 43.01 O ATOM 113 CB ALA A 8 5.945 -6.413 -0.698 1.00 52.40 C ATOM 0 H ALA A 8 5.977 -7.803 -2.711 1.00 54.32 H new ATOM 0 HA ALA A 8 3.920 -6.322 -1.398 1.00 3.11 H new ATOM 0 HB1 ALA A 8 5.808 -5.640 0.058 1.00 52.40 H new ATOM 0 HB2 ALA A 8 5.810 -7.394 -0.242 1.00 52.40 H new ATOM 0 HB3 ALA A 8 6.950 -6.341 -1.113 1.00 52.40 H new ATOM 119 N LYS A 9 5.893 -4.684 -3.425 1.00 23.24 N ATOM 120 CA LYS A 9 6.075 -3.432 -4.175 1.00 53.10 C ATOM 121 C LYS A 9 4.772 -3.048 -4.910 1.00 73.24 C ATOM 122 O LYS A 9 4.300 -1.909 -4.810 1.00 53.35 O ATOM 123 CB LYS A 9 7.248 -3.613 -5.167 1.00 5.01 C ATOM 124 CG LYS A 9 7.582 -2.378 -6.026 1.00 52.53 C ATOM 125 CD LYS A 9 8.715 -2.671 -7.032 1.00 14.41 C ATOM 126 CE LYS A 9 8.989 -1.511 -7.990 1.00 31.24 C ATOM 127 NZ LYS A 9 9.981 -1.892 -9.035 1.00 21.33 N ATOM 0 H LYS A 9 6.481 -5.448 -3.760 1.00 23.24 H new ATOM 0 HA LYS A 9 6.311 -2.619 -3.489 1.00 53.10 H new ATOM 0 HB2 LYS A 9 8.138 -3.895 -4.604 1.00 5.01 H new ATOM 0 HB3 LYS A 9 7.015 -4.445 -5.832 1.00 5.01 H new ATOM 0 HG2 LYS A 9 6.690 -2.058 -6.565 1.00 52.53 H new ATOM 0 HG3 LYS A 9 7.876 -1.553 -5.378 1.00 52.53 H new ATOM 0 HD2 LYS A 9 9.628 -2.903 -6.483 1.00 14.41 H new ATOM 0 HD3 LYS A 9 8.457 -3.558 -7.611 1.00 14.41 H new ATOM 0 HE2 LYS A 9 8.058 -1.202 -8.465 1.00 31.24 H new ATOM 0 HE3 LYS A 9 9.360 -0.654 -7.429 1.00 31.24 H new ATOM 0 HZ1 LYS A 9 10.145 -1.084 -9.669 1.00 21.33 H new ATOM 0 HZ2 LYS A 9 10.876 -2.164 -8.581 1.00 21.33 H new ATOM 0 HZ3 LYS A 9 9.615 -2.695 -9.585 1.00 21.33 H new ATOM 141 N GLN A 10 4.183 -4.040 -5.608 1.00 21.33 N ATOM 142 CA GLN A 10 2.885 -3.898 -6.302 1.00 24.41 C ATOM 143 C GLN A 10 1.731 -3.698 -5.302 1.00 74.13 C ATOM 144 O GLN A 10 0.759 -3.002 -5.604 1.00 44.14 O ATOM 145 CB GLN A 10 2.616 -5.143 -7.190 1.00 71.41 C ATOM 146 CG GLN A 10 3.467 -5.207 -8.468 1.00 41.51 C ATOM 147 CD GLN A 10 3.136 -4.080 -9.452 1.00 24.33 C ATOM 148 OE1 GLN A 10 3.717 -2.998 -9.404 1.00 44.14 O ATOM 149 NE2 GLN A 10 2.192 -4.317 -10.345 1.00 73.10 N ATOM 0 H GLN A 10 4.596 -4.967 -5.707 1.00 21.33 H new ATOM 0 HA GLN A 10 2.937 -3.011 -6.933 1.00 24.41 H new ATOM 0 HB2 GLN A 10 2.800 -6.041 -6.600 1.00 71.41 H new ATOM 0 HB3 GLN A 10 1.562 -5.155 -7.469 1.00 71.41 H new ATOM 0 HG2 GLN A 10 4.522 -5.153 -8.201 1.00 41.51 H new ATOM 0 HG3 GLN A 10 3.311 -6.169 -8.957 1.00 41.51 H new ATOM 0 HE21 GLN A 10 1.724 -5.223 -10.365 1.00 73.10 H new ATOM 0 HE22 GLN A 10 1.931 -3.594 -11.015 1.00 73.10 H new ATOM 158 N ALA A 11 1.875 -4.311 -4.117 1.00 32.12 N ATOM 159 CA ALA A 11 0.896 -4.224 -3.032 1.00 71.25 C ATOM 160 C ALA A 11 0.793 -2.794 -2.508 1.00 20.24 C ATOM 161 O ALA A 11 -0.306 -2.279 -2.348 1.00 22.34 O ATOM 162 CB ALA A 11 1.268 -5.187 -1.904 1.00 41.42 C ATOM 0 H ALA A 11 2.685 -4.887 -3.887 1.00 32.12 H new ATOM 0 HA ALA A 11 -0.080 -4.510 -3.425 1.00 71.25 H new ATOM 0 HB1 ALA A 11 0.532 -5.112 -1.104 1.00 41.42 H new ATOM 0 HB2 ALA A 11 1.285 -6.207 -2.287 1.00 41.42 H new ATOM 0 HB3 ALA A 11 2.253 -4.929 -1.516 1.00 41.42 H new ATOM 168 N ALA A 12 1.964 -2.161 -2.298 1.00 35.23 N ATOM 169 CA ALA A 12 2.059 -0.784 -1.798 1.00 41.31 C ATOM 170 C ALA A 12 1.333 0.200 -2.725 1.00 61.03 C ATOM 171 O ALA A 12 0.499 0.988 -2.274 1.00 33.45 O ATOM 172 CB ALA A 12 3.526 -0.383 -1.634 1.00 50.41 C ATOM 0 H ALA A 12 2.870 -2.595 -2.472 1.00 35.23 H new ATOM 0 HA ALA A 12 1.570 -0.744 -0.825 1.00 41.31 H new ATOM 0 HB1 ALA A 12 3.584 0.640 -1.263 1.00 50.41 H new ATOM 0 HB2 ALA A 12 4.010 -1.055 -0.925 1.00 50.41 H new ATOM 0 HB3 ALA A 12 4.031 -0.448 -2.598 1.00 50.41 H new ATOM 178 N ILE A 13 1.632 0.081 -4.033 1.00 73.02 N ATOM 179 CA ILE A 13 1.042 0.919 -5.089 1.00 61.20 C ATOM 180 C ILE A 13 -0.488 0.689 -5.171 1.00 51.01 C ATOM 181 O ILE A 13 -1.257 1.641 -5.302 1.00 64.31 O ATOM 182 CB ILE A 13 1.721 0.616 -6.482 1.00 54.01 C ATOM 183 CG1 ILE A 13 3.273 0.822 -6.395 1.00 34.20 C ATOM 184 CG2 ILE A 13 1.103 1.473 -7.614 1.00 3.03 C ATOM 185 CD1 ILE A 13 4.054 0.421 -7.642 1.00 45.50 C ATOM 0 H ILE A 13 2.297 -0.607 -4.387 1.00 73.02 H new ATOM 0 HA ILE A 13 1.222 1.965 -4.839 1.00 61.20 H new ATOM 0 HB ILE A 13 1.530 -0.428 -6.728 1.00 54.01 H new ATOM 0 HG12 ILE A 13 3.472 1.873 -6.184 1.00 34.20 H new ATOM 0 HG13 ILE A 13 3.652 0.249 -5.549 1.00 34.20 H new ATOM 0 HG21 ILE A 13 1.595 1.238 -8.558 1.00 3.03 H new ATOM 0 HG22 ILE A 13 0.038 1.255 -7.695 1.00 3.03 H new ATOM 0 HG23 ILE A 13 1.241 2.530 -7.387 1.00 3.03 H new ATOM 0 HD11 ILE A 13 5.117 0.602 -7.480 1.00 45.50 H new ATOM 0 HD12 ILE A 13 3.894 -0.637 -7.847 1.00 45.50 H new ATOM 0 HD13 ILE A 13 3.711 1.011 -8.492 1.00 45.50 H new ATOM 197 N ALA A 14 -0.906 -0.590 -5.035 1.00 33.01 N ATOM 198 CA ALA A 14 -2.328 -1.000 -5.094 1.00 11.42 C ATOM 199 C ALA A 14 -3.137 -0.418 -3.919 1.00 4.31 C ATOM 200 O ALA A 14 -4.304 -0.051 -4.087 1.00 51.13 O ATOM 201 CB ALA A 14 -2.441 -2.522 -5.106 1.00 54.02 C ATOM 0 H ALA A 14 -0.265 -1.369 -4.881 1.00 33.01 H new ATOM 0 HA ALA A 14 -2.748 -0.602 -6.018 1.00 11.42 H new ATOM 0 HB1 ALA A 14 -3.492 -2.808 -5.149 1.00 54.02 H new ATOM 0 HB2 ALA A 14 -1.920 -2.919 -5.978 1.00 54.02 H new ATOM 0 HB3 ALA A 14 -1.992 -2.927 -4.199 1.00 54.02 H new ATOM 207 N ILE A 15 -2.479 -0.335 -2.743 1.00 1.23 N ATOM 208 CA ILE A 15 -3.049 0.252 -1.518 1.00 43.45 C ATOM 209 C ILE A 15 -3.404 1.737 -1.749 1.00 41.45 C ATOM 210 O ILE A 15 -4.479 2.191 -1.352 1.00 44.45 O ATOM 211 CB ILE A 15 -2.053 0.062 -0.293 1.00 11.21 C ATOM 212 CG1 ILE A 15 -2.029 -1.442 0.147 1.00 63.35 C ATOM 213 CG2 ILE A 15 -2.383 0.992 0.902 1.00 71.34 C ATOM 214 CD1 ILE A 15 -1.070 -1.786 1.277 1.00 42.22 C ATOM 0 H ILE A 15 -1.527 -0.678 -2.619 1.00 1.23 H new ATOM 0 HA ILE A 15 -3.972 -0.271 -1.269 1.00 43.45 H new ATOM 0 HB ILE A 15 -1.059 0.352 -0.633 1.00 11.21 H new ATOM 0 HG12 ILE A 15 -3.036 -1.728 0.451 1.00 63.35 H new ATOM 0 HG13 ILE A 15 -1.772 -2.051 -0.720 1.00 63.35 H new ATOM 0 HG21 ILE A 15 -1.670 0.817 1.707 1.00 71.34 H new ATOM 0 HG22 ILE A 15 -2.320 2.032 0.582 1.00 71.34 H new ATOM 0 HG23 ILE A 15 -3.391 0.782 1.259 1.00 71.34 H new ATOM 0 HD11 ILE A 15 -1.136 -2.851 1.499 1.00 42.22 H new ATOM 0 HD12 ILE A 15 -0.051 -1.540 0.977 1.00 42.22 H new ATOM 0 HD13 ILE A 15 -1.335 -1.213 2.166 1.00 42.22 H new ATOM 226 N PHE A 16 -2.512 2.461 -2.449 1.00 2.24 N ATOM 227 CA PHE A 16 -2.710 3.891 -2.761 1.00 55.13 C ATOM 228 C PHE A 16 -3.722 4.092 -3.895 1.00 31.53 C ATOM 229 O PHE A 16 -4.439 5.093 -3.909 1.00 30.34 O ATOM 230 CB PHE A 16 -1.365 4.566 -3.105 1.00 32.51 C ATOM 231 CG PHE A 16 -0.369 4.510 -1.957 1.00 43.32 C ATOM 232 CD1 PHE A 16 -0.732 4.945 -0.679 1.00 72.21 C ATOM 233 CD2 PHE A 16 0.914 4.015 -2.147 1.00 30.10 C ATOM 234 CE1 PHE A 16 0.160 4.877 0.367 1.00 33.43 C ATOM 235 CE2 PHE A 16 1.799 3.949 -1.103 1.00 42.43 C ATOM 236 CZ PHE A 16 1.424 4.382 0.154 1.00 11.13 C ATOM 0 H PHE A 16 -1.640 2.077 -2.812 1.00 2.24 H new ATOM 0 HA PHE A 16 -3.120 4.366 -1.869 1.00 55.13 H new ATOM 0 HB2 PHE A 16 -0.933 4.080 -3.980 1.00 32.51 H new ATOM 0 HB3 PHE A 16 -1.544 5.607 -3.375 1.00 32.51 H new ATOM 0 HD1 PHE A 16 -1.723 5.339 -0.511 1.00 72.21 H new ATOM 0 HD2 PHE A 16 1.218 3.679 -3.127 1.00 30.10 H new ATOM 0 HE1 PHE A 16 -0.132 5.211 1.351 1.00 33.43 H new ATOM 0 HE2 PHE A 16 2.793 3.557 -1.263 1.00 42.43 H new ATOM 0 HZ PHE A 16 2.127 4.331 0.972 1.00 11.13 H new ATOM 246 N GLN A 17 -3.776 3.127 -4.835 1.00 30.32 N ATOM 247 CA GLN A 17 -4.747 3.138 -5.949 1.00 34.34 C ATOM 248 C GLN A 17 -6.179 2.977 -5.418 1.00 32.14 C ATOM 249 O GLN A 17 -7.115 3.534 -5.989 1.00 63.44 O ATOM 250 CB GLN A 17 -4.418 2.043 -6.997 1.00 44.34 C ATOM 251 CG GLN A 17 -3.144 2.318 -7.816 1.00 70.33 C ATOM 252 CD GLN A 17 -2.833 1.210 -8.821 1.00 32.41 C ATOM 253 OE1 GLN A 17 -3.282 1.250 -9.967 1.00 64.11 O ATOM 254 NE2 GLN A 17 -2.071 0.210 -8.402 1.00 22.33 N ATOM 0 H GLN A 17 -3.151 2.321 -4.844 1.00 30.32 H new ATOM 0 HA GLN A 17 -4.672 4.104 -6.449 1.00 34.34 H new ATOM 0 HB2 GLN A 17 -4.308 1.087 -6.485 1.00 44.34 H new ATOM 0 HB3 GLN A 17 -5.262 1.944 -7.680 1.00 44.34 H new ATOM 0 HG2 GLN A 17 -3.257 3.263 -8.348 1.00 70.33 H new ATOM 0 HG3 GLN A 17 -2.299 2.433 -7.137 1.00 70.33 H new ATOM 0 HE21 GLN A 17 -1.714 0.206 -7.446 1.00 22.33 H new ATOM 0 HE22 GLN A 17 -1.841 -0.556 -9.035 1.00 22.33 H new ATOM 263 N LEU A 18 -6.326 2.222 -4.312 1.00 72.34 N ATOM 264 CA LEU A 18 -7.598 2.115 -3.584 1.00 72.41 C ATOM 265 C LEU A 18 -7.875 3.405 -2.795 1.00 2.13 C ATOM 266 O LEU A 18 -8.958 3.969 -2.897 1.00 33.12 O ATOM 267 CB LEU A 18 -7.601 0.879 -2.639 1.00 3.32 C ATOM 268 CG LEU A 18 -7.649 -0.511 -3.348 1.00 71.40 C ATOM 269 CD1 LEU A 18 -7.547 -1.665 -2.332 1.00 75.05 C ATOM 270 CD2 LEU A 18 -8.917 -0.646 -4.223 1.00 21.43 C ATOM 0 H LEU A 18 -5.569 1.674 -3.903 1.00 72.34 H new ATOM 0 HA LEU A 18 -8.396 1.978 -4.314 1.00 72.41 H new ATOM 0 HB2 LEU A 18 -6.708 0.918 -2.016 1.00 3.32 H new ATOM 0 HB3 LEU A 18 -8.459 0.956 -1.971 1.00 3.32 H new ATOM 0 HG LEU A 18 -6.782 -0.576 -4.005 1.00 71.40 H new ATOM 0 HD11 LEU A 18 -7.584 -2.618 -2.859 1.00 75.05 H new ATOM 0 HD12 LEU A 18 -6.606 -1.588 -1.787 1.00 75.05 H new ATOM 0 HD13 LEU A 18 -8.379 -1.606 -1.630 1.00 75.05 H new ATOM 0 HD21 LEU A 18 -8.924 -1.624 -4.705 1.00 21.43 H new ATOM 0 HD22 LEU A 18 -9.804 -0.543 -3.597 1.00 21.43 H new ATOM 0 HD23 LEU A 18 -8.918 0.134 -4.985 1.00 21.43 H new ATOM 282 N TRP A 19 -6.875 3.881 -2.031 1.00 53.04 N ATOM 283 CA TRP A 19 -7.020 5.073 -1.152 1.00 35.32 C ATOM 284 C TRP A 19 -7.409 6.356 -1.933 1.00 54.40 C ATOM 285 O TRP A 19 -8.020 7.267 -1.364 1.00 34.23 O ATOM 286 CB TRP A 19 -5.732 5.284 -0.308 1.00 11.03 C ATOM 287 CG TRP A 19 -5.555 4.320 0.848 1.00 63.34 C ATOM 288 CD1 TRP A 19 -6.378 3.287 1.213 1.00 51.10 C ATOM 289 CD2 TRP A 19 -4.484 4.327 1.804 1.00 72.24 C ATOM 290 NE1 TRP A 19 -5.885 2.660 2.328 1.00 35.30 N ATOM 291 CE2 TRP A 19 -4.724 3.276 2.709 1.00 43.02 C ATOM 292 CE3 TRP A 19 -3.348 5.124 1.984 1.00 30.34 C ATOM 293 CZ2 TRP A 19 -3.869 2.999 3.773 1.00 71.11 C ATOM 294 CZ3 TRP A 19 -2.497 4.845 3.035 1.00 4.31 C ATOM 295 CH2 TRP A 19 -2.762 3.793 3.922 1.00 10.30 C ATOM 0 H TRP A 19 -5.947 3.459 -2.000 1.00 53.04 H new ATOM 0 HA TRP A 19 -7.850 4.874 -0.475 1.00 35.32 H new ATOM 0 HB2 TRP A 19 -4.867 5.200 -0.966 1.00 11.03 H new ATOM 0 HB3 TRP A 19 -5.736 6.301 0.085 1.00 11.03 H new ATOM 0 HD1 TRP A 19 -7.284 3.007 0.697 1.00 51.10 H new ATOM 0 HE1 TRP A 19 -6.314 1.863 2.798 1.00 35.30 H new ATOM 0 HE3 TRP A 19 -3.140 5.944 1.312 1.00 30.34 H new ATOM 0 HZ2 TRP A 19 -4.071 2.187 4.456 1.00 71.11 H new ATOM 0 HZ3 TRP A 19 -1.612 5.448 3.176 1.00 4.31 H new ATOM 0 HH2 TRP A 19 -2.081 3.604 4.739 1.00 10.30 H new ATOM 306 N LYS A 20 -7.052 6.416 -3.232 1.00 64.33 N ATOM 307 CA LYS A 20 -7.476 7.520 -4.125 1.00 32.44 C ATOM 308 C LYS A 20 -8.757 7.144 -4.900 1.00 40.44 C ATOM 309 O LYS A 20 -9.565 8.015 -5.230 1.00 63.01 O ATOM 310 CB LYS A 20 -6.332 7.897 -5.121 1.00 74.14 C ATOM 311 CG LYS A 20 -5.948 6.790 -6.126 1.00 31.22 C ATOM 312 CD LYS A 20 -4.851 7.226 -7.127 1.00 55.15 C ATOM 313 CE LYS A 20 -3.506 7.579 -6.469 1.00 52.11 C ATOM 314 NZ LYS A 20 -2.503 8.036 -7.486 1.00 65.31 N ATOM 0 H LYS A 20 -6.471 5.713 -3.689 1.00 64.33 H new ATOM 0 HA LYS A 20 -7.694 8.387 -3.502 1.00 32.44 H new ATOM 0 HB2 LYS A 20 -6.634 8.784 -5.679 1.00 74.14 H new ATOM 0 HB3 LYS A 20 -5.446 8.168 -4.547 1.00 74.14 H new ATOM 0 HG2 LYS A 20 -5.602 5.914 -5.577 1.00 31.22 H new ATOM 0 HG3 LYS A 20 -6.837 6.488 -6.680 1.00 31.22 H new ATOM 0 HD2 LYS A 20 -4.692 6.424 -7.847 1.00 55.15 H new ATOM 0 HD3 LYS A 20 -5.208 8.091 -7.687 1.00 55.15 H new ATOM 0 HE2 LYS A 20 -3.657 8.363 -5.727 1.00 52.11 H new ATOM 0 HE3 LYS A 20 -3.119 6.709 -5.939 1.00 52.11 H new ATOM 0 HZ1 LYS A 20 -1.572 8.136 -7.034 1.00 65.31 H new ATOM 0 HZ2 LYS A 20 -2.442 7.336 -8.253 1.00 65.31 H new ATOM 0 HZ3 LYS A 20 -2.799 8.953 -7.877 1.00 65.31 H new ATOM 328 N ASN A 21 -8.942 5.836 -5.167 1.00 2.53 N ATOM 329 CA ASN A 21 -10.031 5.327 -6.023 1.00 42.44 C ATOM 330 C ASN A 21 -10.476 3.930 -5.505 1.00 62.45 C ATOM 331 O ASN A 21 -9.968 2.904 -5.971 1.00 34.31 O ATOM 332 CB ASN A 21 -9.543 5.274 -7.507 1.00 25.11 C ATOM 333 CG ASN A 21 -10.643 4.908 -8.508 1.00 55.21 C ATOM 334 OD1 ASN A 21 -11.305 5.775 -9.069 1.00 2.10 O ATOM 335 ND2 ASN A 21 -10.857 3.626 -8.728 1.00 21.51 N ATOM 0 H ASN A 21 -8.340 5.102 -4.794 1.00 2.53 H new ATOM 0 HA ASN A 21 -10.895 5.991 -5.982 1.00 42.44 H new ATOM 0 HB2 ASN A 21 -9.127 6.245 -7.778 1.00 25.11 H new ATOM 0 HB3 ASN A 21 -8.735 4.547 -7.588 1.00 25.11 H new ATOM 0 HD21 ASN A 21 -11.587 3.335 -9.378 1.00 21.51 H new ATOM 0 HD22 ASN A 21 -10.292 2.925 -8.248 1.00 21.51 H new ATOM 342 N PRO A 22 -11.417 3.870 -4.492 1.00 22.51 N ATOM 343 CA PRO A 22 -11.824 2.587 -3.831 1.00 21.23 C ATOM 344 C PRO A 22 -12.624 1.659 -4.763 1.00 42.33 C ATOM 345 O PRO A 22 -12.824 0.473 -4.464 1.00 31.12 O ATOM 346 CB PRO A 22 -12.684 3.068 -2.631 1.00 54.32 C ATOM 347 CG PRO A 22 -13.248 4.377 -3.084 1.00 1.05 C ATOM 348 CD PRO A 22 -12.153 5.032 -3.910 1.00 12.44 C ATOM 0 HA PRO A 22 -10.964 1.984 -3.538 1.00 21.23 H new ATOM 0 HB2 PRO A 22 -13.474 2.354 -2.396 1.00 54.32 H new ATOM 0 HB3 PRO A 22 -12.081 3.185 -1.730 1.00 54.32 H new ATOM 0 HG2 PRO A 22 -14.151 4.230 -3.677 1.00 1.05 H new ATOM 0 HG3 PRO A 22 -13.523 5.000 -2.233 1.00 1.05 H new ATOM 0 HD2 PRO A 22 -12.566 5.676 -4.687 1.00 12.44 H new ATOM 0 HD3 PRO A 22 -11.502 5.653 -3.294 1.00 12.44 H new ATOM 356 N THR A 23 -13.053 2.220 -5.907 1.00 61.20 N ATOM 357 CA THR A 23 -13.824 1.515 -6.930 1.00 14.33 C ATOM 358 C THR A 23 -12.907 0.748 -7.903 1.00 44.42 C ATOM 359 O THR A 23 -13.398 0.180 -8.881 1.00 73.11 O ATOM 360 CB THR A 23 -14.711 2.540 -7.714 1.00 23.31 C ATOM 361 OG1 THR A 23 -13.879 3.558 -8.302 1.00 64.14 O ATOM 362 CG2 THR A 23 -15.756 3.211 -6.798 1.00 24.44 C ATOM 0 H THR A 23 -12.867 3.194 -6.145 1.00 61.20 H new ATOM 0 HA THR A 23 -14.461 0.782 -6.434 1.00 14.33 H new ATOM 0 HB THR A 23 -15.240 1.988 -8.491 1.00 23.31 H new ATOM 0 HG1 THR A 23 -14.439 4.195 -8.793 1.00 64.14 H new ATOM 0 HG21 THR A 23 -16.351 3.915 -7.380 1.00 24.44 H new ATOM 0 HG22 THR A 23 -16.409 2.449 -6.372 1.00 24.44 H new ATOM 0 HG23 THR A 23 -15.247 3.743 -5.994 1.00 24.44 H new ATOM 370 N ASP A 24 -11.578 0.741 -7.628 1.00 35.41 N ATOM 371 CA ASP A 24 -10.593 0.028 -8.460 1.00 45.11 C ATOM 372 C ASP A 24 -10.653 -1.487 -8.149 1.00 41.05 C ATOM 373 O ASP A 24 -10.258 -1.897 -7.049 1.00 3.45 O ATOM 374 CB ASP A 24 -9.148 0.569 -8.225 1.00 75.51 C ATOM 375 CG ASP A 24 -8.190 0.196 -9.370 1.00 13.41 C ATOM 376 OD1 ASP A 24 -7.791 -0.983 -9.476 1.00 54.30 O ATOM 377 OD2 ASP A 24 -7.861 1.077 -10.194 1.00 20.05 O ATOM 0 H ASP A 24 -11.169 1.226 -6.830 1.00 35.41 H new ATOM 0 HA ASP A 24 -10.843 0.198 -9.507 1.00 45.11 H new ATOM 0 HB2 ASP A 24 -9.181 1.654 -8.121 1.00 75.51 H new ATOM 0 HB3 ASP A 24 -8.762 0.171 -7.287 1.00 75.51 H new ATOM 382 N PRO A 25 -11.145 -2.343 -9.103 1.00 3.44 N ATOM 383 CA PRO A 25 -11.291 -3.797 -8.865 1.00 70.03 C ATOM 384 C PRO A 25 -9.940 -4.542 -8.934 1.00 22.54 C ATOM 385 O PRO A 25 -9.771 -5.571 -8.281 1.00 21.24 O ATOM 386 CB PRO A 25 -12.255 -4.235 -9.994 1.00 23.31 C ATOM 387 CG PRO A 25 -11.959 -3.295 -11.128 1.00 64.32 C ATOM 388 CD PRO A 25 -11.587 -1.967 -10.484 1.00 21.31 C ATOM 0 HA PRO A 25 -11.665 -4.028 -7.868 1.00 70.03 H new ATOM 0 HB2 PRO A 25 -12.083 -5.272 -10.283 1.00 23.31 H new ATOM 0 HB3 PRO A 25 -13.296 -4.161 -9.678 1.00 23.31 H new ATOM 0 HG2 PRO A 25 -11.143 -3.672 -11.745 1.00 64.32 H new ATOM 0 HG3 PRO A 25 -12.826 -3.184 -11.779 1.00 64.32 H new ATOM 0 HD2 PRO A 25 -10.791 -1.466 -11.035 1.00 21.31 H new ATOM 0 HD3 PRO A 25 -12.436 -1.284 -10.459 1.00 21.31 H new ATOM 396 N GLU A 26 -8.982 -3.971 -9.690 1.00 71.43 N ATOM 397 CA GLU A 26 -7.697 -4.613 -10.011 1.00 72.44 C ATOM 398 C GLU A 26 -6.752 -4.588 -8.807 1.00 74.44 C ATOM 399 O GLU A 26 -6.112 -5.594 -8.488 1.00 43.21 O ATOM 400 CB GLU A 26 -7.035 -3.890 -11.216 1.00 52.35 C ATOM 401 CG GLU A 26 -7.916 -3.810 -12.476 1.00 41.11 C ATOM 402 CD GLU A 26 -8.341 -5.186 -13.014 1.00 64.32 C ATOM 403 OE1 GLU A 26 -7.494 -5.888 -13.615 1.00 24.44 O ATOM 404 OE2 GLU A 26 -9.516 -5.570 -12.845 1.00 25.33 O ATOM 0 H GLU A 26 -9.082 -3.042 -10.098 1.00 71.43 H new ATOM 0 HA GLU A 26 -7.890 -5.654 -10.271 1.00 72.44 H new ATOM 0 HB2 GLU A 26 -6.765 -2.879 -10.913 1.00 52.35 H new ATOM 0 HB3 GLU A 26 -6.108 -4.406 -11.468 1.00 52.35 H new ATOM 0 HG2 GLU A 26 -8.808 -3.226 -12.250 1.00 41.11 H new ATOM 0 HG3 GLU A 26 -7.374 -3.275 -13.256 1.00 41.11 H new ATOM 411 N ALA A 27 -6.699 -3.420 -8.151 1.00 62.04 N ATOM 412 CA ALA A 27 -5.805 -3.160 -7.021 1.00 10.44 C ATOM 413 C ALA A 27 -6.102 -4.109 -5.852 1.00 11.22 C ATOM 414 O ALA A 27 -5.198 -4.745 -5.312 1.00 61.42 O ATOM 415 CB ALA A 27 -5.942 -1.696 -6.587 1.00 4.00 C ATOM 0 H ALA A 27 -7.284 -2.621 -8.396 1.00 62.04 H new ATOM 0 HA ALA A 27 -4.777 -3.343 -7.335 1.00 10.44 H new ATOM 0 HB1 ALA A 27 -5.277 -1.502 -5.746 1.00 4.00 H new ATOM 0 HB2 ALA A 27 -5.675 -1.044 -7.418 1.00 4.00 H new ATOM 0 HB3 ALA A 27 -6.972 -1.500 -6.288 1.00 4.00 H new ATOM 421 N GLN A 28 -7.395 -4.218 -5.503 1.00 22.42 N ATOM 422 CA GLN A 28 -7.854 -5.076 -4.394 1.00 33.31 C ATOM 423 C GLN A 28 -7.843 -6.573 -4.781 1.00 10.41 C ATOM 424 O GLN A 28 -7.725 -7.435 -3.910 1.00 32.24 O ATOM 425 CB GLN A 28 -9.255 -4.621 -3.907 1.00 14.25 C ATOM 426 CG GLN A 28 -10.367 -4.661 -4.970 1.00 13.12 C ATOM 427 CD GLN A 28 -11.676 -4.037 -4.479 1.00 3.31 C ATOM 428 OE1 GLN A 28 -12.528 -4.717 -3.905 1.00 33.34 O ATOM 429 NE2 GLN A 28 -11.843 -2.738 -4.691 1.00 63.33 N ATOM 0 H GLN A 28 -8.148 -3.718 -5.977 1.00 22.42 H new ATOM 0 HA GLN A 28 -7.152 -4.964 -3.568 1.00 33.31 H new ATOM 0 HB2 GLN A 28 -9.553 -5.252 -3.070 1.00 14.25 H new ATOM 0 HB3 GLN A 28 -9.176 -3.603 -3.526 1.00 14.25 H new ATOM 0 HG2 GLN A 28 -10.030 -4.134 -5.862 1.00 13.12 H new ATOM 0 HG3 GLN A 28 -10.549 -5.696 -5.261 1.00 13.12 H new ATOM 0 HE21 GLN A 28 -11.119 -2.202 -5.169 1.00 63.33 H new ATOM 0 HE22 GLN A 28 -12.696 -2.275 -4.376 1.00 63.33 H new ATOM 438 N GLU A 29 -7.940 -6.870 -6.093 1.00 73.52 N ATOM 439 CA GLU A 29 -7.930 -8.260 -6.610 1.00 61.53 C ATOM 440 C GLU A 29 -6.531 -8.885 -6.482 1.00 0.31 C ATOM 441 O GLU A 29 -6.394 -10.031 -6.035 1.00 24.03 O ATOM 442 CB GLU A 29 -8.382 -8.311 -8.089 1.00 2.44 C ATOM 443 CG GLU A 29 -8.489 -9.738 -8.670 1.00 21.31 C ATOM 444 CD GLU A 29 -8.845 -9.760 -10.159 1.00 24.25 C ATOM 445 OE1 GLU A 29 -10.043 -9.867 -10.502 1.00 23.02 O ATOM 446 OE2 GLU A 29 -7.923 -9.659 -10.996 1.00 74.10 O ATOM 0 H GLU A 29 -8.027 -6.161 -6.822 1.00 73.52 H new ATOM 0 HA GLU A 29 -8.634 -8.833 -6.007 1.00 61.53 H new ATOM 0 HB2 GLU A 29 -9.352 -7.821 -8.178 1.00 2.44 H new ATOM 0 HB3 GLU A 29 -7.678 -7.737 -8.692 1.00 2.44 H new ATOM 0 HG2 GLU A 29 -7.541 -10.255 -8.522 1.00 21.31 H new ATOM 0 HG3 GLU A 29 -9.245 -10.293 -8.115 1.00 21.31 H new ATOM 453 N LEU A 30 -5.496 -8.121 -6.889 1.00 63.01 N ATOM 454 CA LEU A 30 -4.097 -8.588 -6.834 1.00 40.35 C ATOM 455 C LEU A 30 -3.637 -8.730 -5.372 1.00 44.13 C ATOM 456 O LEU A 30 -2.816 -9.593 -5.067 1.00 54.41 O ATOM 457 CB LEU A 30 -3.157 -7.669 -7.687 1.00 1.23 C ATOM 458 CG LEU A 30 -2.972 -6.160 -7.248 1.00 74.42 C ATOM 459 CD1 LEU A 30 -1.876 -5.978 -6.176 1.00 72.13 C ATOM 460 CD2 LEU A 30 -2.693 -5.237 -8.452 1.00 14.15 C ATOM 0 H LEU A 30 -5.604 -7.177 -7.260 1.00 63.01 H new ATOM 0 HA LEU A 30 -4.037 -9.579 -7.284 1.00 40.35 H new ATOM 0 HB2 LEU A 30 -2.170 -8.132 -7.706 1.00 1.23 H new ATOM 0 HB3 LEU A 30 -3.531 -7.673 -8.711 1.00 1.23 H new ATOM 0 HG LEU A 30 -3.923 -5.868 -6.801 1.00 74.42 H new ATOM 0 HD11 LEU A 30 -1.794 -4.923 -5.914 1.00 72.13 H new ATOM 0 HD12 LEU A 30 -2.137 -6.553 -5.288 1.00 72.13 H new ATOM 0 HD13 LEU A 30 -0.922 -6.329 -6.568 1.00 72.13 H new ATOM 0 HD21 LEU A 30 -2.573 -4.211 -8.104 1.00 14.15 H new ATOM 0 HD22 LEU A 30 -1.781 -5.559 -8.954 1.00 14.15 H new ATOM 0 HD23 LEU A 30 -3.528 -5.288 -9.150 1.00 14.15 H new ATOM 472 N LEU A 31 -4.227 -7.897 -4.485 1.00 21.15 N ATOM 473 CA LEU A 31 -4.006 -7.950 -3.023 1.00 20.21 C ATOM 474 C LEU A 31 -4.620 -9.214 -2.382 1.00 74.21 C ATOM 475 O LEU A 31 -4.336 -9.510 -1.234 1.00 1.41 O ATOM 476 CB LEU A 31 -4.574 -6.674 -2.332 1.00 22.52 C ATOM 477 CG LEU A 31 -3.777 -5.349 -2.536 1.00 32.13 C ATOM 478 CD1 LEU A 31 -4.515 -4.137 -1.918 1.00 43.14 C ATOM 479 CD2 LEU A 31 -2.359 -5.476 -1.967 1.00 62.04 C ATOM 0 H LEU A 31 -4.876 -7.162 -4.767 1.00 21.15 H new ATOM 0 HA LEU A 31 -2.928 -7.993 -2.870 1.00 20.21 H new ATOM 0 HB2 LEU A 31 -5.591 -6.517 -2.692 1.00 22.52 H new ATOM 0 HB3 LEU A 31 -4.641 -6.869 -1.262 1.00 22.52 H new ATOM 0 HG LEU A 31 -3.702 -5.171 -3.609 1.00 32.13 H new ATOM 0 HD11 LEU A 31 -3.929 -3.233 -2.080 1.00 43.14 H new ATOM 0 HD12 LEU A 31 -5.491 -4.026 -2.390 1.00 43.14 H new ATOM 0 HD13 LEU A 31 -4.645 -4.298 -0.848 1.00 43.14 H new ATOM 0 HD21 LEU A 31 -1.820 -4.541 -2.120 1.00 62.04 H new ATOM 0 HD22 LEU A 31 -2.413 -5.693 -0.900 1.00 62.04 H new ATOM 0 HD23 LEU A 31 -1.834 -6.284 -2.476 1.00 62.04 H new ATOM 491 N ASN A 32 -5.501 -9.918 -3.109 1.00 32.30 N ATOM 492 CA ASN A 32 -6.050 -11.227 -2.666 1.00 54.41 C ATOM 493 C ASN A 32 -5.036 -12.346 -2.986 1.00 23.23 C ATOM 494 O ASN A 32 -4.938 -13.346 -2.269 1.00 45.52 O ATOM 495 CB ASN A 32 -7.418 -11.489 -3.372 1.00 34.13 C ATOM 496 CG ASN A 32 -8.285 -12.589 -2.725 1.00 24.13 C ATOM 497 OD1 ASN A 32 -7.793 -13.556 -2.145 1.00 0.25 O ATOM 498 ND2 ASN A 32 -9.598 -12.452 -2.841 1.00 23.41 N ATOM 0 H ASN A 32 -5.856 -9.607 -4.013 1.00 32.30 H new ATOM 0 HA ASN A 32 -6.219 -11.213 -1.589 1.00 54.41 H new ATOM 0 HB2 ASN A 32 -7.987 -10.559 -3.385 1.00 34.13 H new ATOM 0 HB3 ASN A 32 -7.228 -11.761 -4.410 1.00 34.13 H new ATOM 0 HD21 ASN A 32 -10.221 -13.156 -2.445 1.00 23.41 H new ATOM 0 HD22 ASN A 32 -9.985 -11.643 -3.326 1.00 23.41 H new ATOM 505 N LYS A 33 -4.264 -12.129 -4.061 1.00 3.42 N ATOM 506 CA LYS A 33 -3.315 -13.112 -4.607 1.00 23.15 C ATOM 507 C LYS A 33 -1.978 -13.077 -3.839 1.00 23.52 C ATOM 508 O LYS A 33 -1.354 -14.116 -3.620 1.00 21.24 O ATOM 509 CB LYS A 33 -3.094 -12.801 -6.116 1.00 55.42 C ATOM 510 CG LYS A 33 -4.414 -12.668 -6.915 1.00 24.33 C ATOM 511 CD LYS A 33 -4.214 -12.192 -8.373 1.00 33.54 C ATOM 512 CE LYS A 33 -3.481 -13.210 -9.251 1.00 52.01 C ATOM 513 NZ LYS A 33 -3.302 -12.705 -10.640 1.00 11.23 N ATOM 0 H LYS A 33 -4.281 -11.253 -4.584 1.00 3.42 H new ATOM 0 HA LYS A 33 -3.725 -14.116 -4.494 1.00 23.15 H new ATOM 0 HB2 LYS A 33 -2.526 -11.875 -6.209 1.00 55.42 H new ATOM 0 HB3 LYS A 33 -2.488 -13.592 -6.558 1.00 55.42 H new ATOM 0 HG2 LYS A 33 -4.922 -13.633 -6.924 1.00 24.33 H new ATOM 0 HG3 LYS A 33 -5.071 -11.967 -6.400 1.00 24.33 H new ATOM 0 HD2 LYS A 33 -5.188 -11.978 -8.814 1.00 33.54 H new ATOM 0 HD3 LYS A 33 -3.653 -11.257 -8.368 1.00 33.54 H new ATOM 0 HE2 LYS A 33 -2.507 -13.433 -8.816 1.00 52.01 H new ATOM 0 HE3 LYS A 33 -4.042 -14.144 -9.272 1.00 52.01 H new ATOM 0 HZ1 LYS A 33 -2.802 -13.419 -11.207 1.00 11.23 H new ATOM 0 HZ2 LYS A 33 -4.233 -12.516 -11.063 1.00 11.23 H new ATOM 0 HZ3 LYS A 33 -2.746 -11.827 -10.621 1.00 11.23 H new ATOM 527 N ILE A 34 -1.547 -11.865 -3.432 1.00 22.31 N ATOM 528 CA ILE A 34 -0.210 -11.637 -2.812 1.00 64.03 C ATOM 529 C ILE A 34 -0.320 -11.412 -1.286 1.00 33.44 C ATOM 530 O ILE A 34 0.565 -11.817 -0.524 1.00 65.20 O ATOM 531 CB ILE A 34 0.518 -10.419 -3.504 1.00 1.41 C ATOM 532 CG1 ILE A 34 -0.276 -9.087 -3.307 1.00 3.21 C ATOM 533 CG2 ILE A 34 0.747 -10.704 -5.008 1.00 12.35 C ATOM 534 CD1 ILE A 34 0.249 -7.892 -4.078 1.00 33.44 C ATOM 0 H ILE A 34 -2.107 -11.017 -3.520 1.00 22.31 H new ATOM 0 HA ILE A 34 0.386 -12.536 -2.968 1.00 64.03 H new ATOM 0 HB ILE A 34 1.488 -10.297 -3.023 1.00 1.41 H new ATOM 0 HG12 ILE A 34 -1.313 -9.257 -3.597 1.00 3.21 H new ATOM 0 HG13 ILE A 34 -0.278 -8.840 -2.245 1.00 3.21 H new ATOM 0 HG21 ILE A 34 1.250 -9.853 -5.467 1.00 12.35 H new ATOM 0 HG22 ILE A 34 1.366 -11.594 -5.120 1.00 12.35 H new ATOM 0 HG23 ILE A 34 -0.213 -10.866 -5.498 1.00 12.35 H new ATOM 0 HD11 ILE A 34 -0.374 -7.022 -3.869 1.00 33.44 H new ATOM 0 HD12 ILE A 34 1.275 -7.685 -3.774 1.00 33.44 H new ATOM 0 HD13 ILE A 34 0.224 -8.108 -5.146 1.00 33.44 H new ATOM 546 N LEU A 35 -1.405 -10.745 -0.868 1.00 74.22 N ATOM 547 CA LEU A 35 -1.724 -10.475 0.554 1.00 30.33 C ATOM 548 C LEU A 35 -2.955 -11.292 0.963 1.00 12.13 C ATOM 549 O LEU A 35 -3.572 -11.967 0.128 1.00 44.32 O ATOM 550 CB LEU A 35 -1.980 -8.942 0.791 1.00 24.33 C ATOM 551 CG LEU A 35 -0.765 -8.080 1.260 1.00 54.21 C ATOM 552 CD1 LEU A 35 -0.296 -8.507 2.670 1.00 1.32 C ATOM 553 CD2 LEU A 35 0.396 -8.113 0.240 1.00 43.33 C ATOM 0 H LEU A 35 -2.100 -10.369 -1.513 1.00 74.22 H new ATOM 0 HA LEU A 35 -0.873 -10.770 1.168 1.00 30.33 H new ATOM 0 HB2 LEU A 35 -2.359 -8.515 -0.138 1.00 24.33 H new ATOM 0 HB3 LEU A 35 -2.772 -8.842 1.534 1.00 24.33 H new ATOM 0 HG LEU A 35 -1.102 -7.045 1.319 1.00 54.21 H new ATOM 0 HD11 LEU A 35 0.551 -7.892 2.974 1.00 1.32 H new ATOM 0 HD12 LEU A 35 -1.113 -8.376 3.380 1.00 1.32 H new ATOM 0 HD13 LEU A 35 0.005 -9.555 2.652 1.00 1.32 H new ATOM 0 HD21 LEU A 35 1.220 -7.500 0.606 1.00 43.33 H new ATOM 0 HD22 LEU A 35 0.737 -9.140 0.110 1.00 43.33 H new ATOM 0 HD23 LEU A 35 0.051 -7.722 -0.717 1.00 43.33 H new ATOM 565 N SER A 36 -3.308 -11.217 2.251 1.00 75.13 N ATOM 566 CA SER A 36 -4.519 -11.851 2.775 1.00 64.14 C ATOM 567 C SER A 36 -5.783 -11.059 2.340 1.00 13.14 C ATOM 568 O SER A 36 -5.719 -9.827 2.207 1.00 61.25 O ATOM 569 CB SER A 36 -4.428 -11.938 4.314 1.00 34.00 C ATOM 570 OG SER A 36 -3.228 -12.560 4.725 1.00 52.45 O ATOM 0 H SER A 36 -2.764 -10.717 2.955 1.00 75.13 H new ATOM 0 HA SER A 36 -4.602 -12.858 2.367 1.00 64.14 H new ATOM 0 HB2 SER A 36 -4.485 -10.937 4.741 1.00 34.00 H new ATOM 0 HB3 SER A 36 -5.280 -12.498 4.699 1.00 34.00 H new ATOM 0 HG SER A 36 -3.198 -12.599 5.704 1.00 52.45 H new ATOM 576 N PRO A 37 -6.941 -11.750 2.090 1.00 10.11 N ATOM 577 CA PRO A 37 -8.251 -11.084 1.816 1.00 75.53 C ATOM 578 C PRO A 37 -8.651 -10.015 2.872 1.00 40.41 C ATOM 579 O PRO A 37 -9.309 -9.019 2.549 1.00 23.34 O ATOM 580 CB PRO A 37 -9.246 -12.264 1.799 1.00 72.33 C ATOM 581 CG PRO A 37 -8.422 -13.441 1.355 1.00 62.05 C ATOM 582 CD PRO A 37 -7.055 -13.236 1.978 1.00 33.42 C ATOM 0 HA PRO A 37 -8.223 -10.514 0.887 1.00 75.53 H new ATOM 0 HB2 PRO A 37 -9.680 -12.432 2.785 1.00 72.33 H new ATOM 0 HB3 PRO A 37 -10.073 -12.077 1.114 1.00 72.33 H new ATOM 0 HG2 PRO A 37 -8.867 -14.379 1.686 1.00 62.05 H new ATOM 0 HG3 PRO A 37 -8.355 -13.486 0.268 1.00 62.05 H new ATOM 0 HD2 PRO A 37 -6.982 -13.719 2.953 1.00 33.42 H new ATOM 0 HD3 PRO A 37 -6.264 -13.653 1.355 1.00 33.42 H new ATOM 590 N ASP A 38 -8.239 -10.254 4.131 1.00 53.21 N ATOM 591 CA ASP A 38 -8.432 -9.318 5.262 1.00 32.25 C ATOM 592 C ASP A 38 -7.711 -7.977 5.014 1.00 1.24 C ATOM 593 O ASP A 38 -8.245 -6.903 5.321 1.00 64.55 O ATOM 594 CB ASP A 38 -7.904 -9.976 6.566 1.00 73.30 C ATOM 595 CG ASP A 38 -8.076 -9.097 7.820 1.00 3.41 C ATOM 596 OD1 ASP A 38 -9.133 -9.184 8.479 1.00 14.40 O ATOM 597 OD2 ASP A 38 -7.147 -8.329 8.167 1.00 44.24 O ATOM 0 H ASP A 38 -7.757 -11.112 4.398 1.00 53.21 H new ATOM 0 HA ASP A 38 -9.497 -9.106 5.359 1.00 32.25 H new ATOM 0 HB2 ASP A 38 -8.425 -10.921 6.722 1.00 73.30 H new ATOM 0 HB3 ASP A 38 -6.847 -10.211 6.441 1.00 73.30 H new ATOM 602 N VAL A 39 -6.500 -8.064 4.439 1.00 34.54 N ATOM 603 CA VAL A 39 -5.614 -6.907 4.232 1.00 55.23 C ATOM 604 C VAL A 39 -6.168 -5.973 3.144 1.00 71.45 C ATOM 605 O VAL A 39 -6.215 -4.757 3.344 1.00 41.50 O ATOM 606 CB VAL A 39 -4.149 -7.362 3.881 1.00 1.41 C ATOM 607 CG1 VAL A 39 -3.220 -6.154 3.619 1.00 43.12 C ATOM 608 CG2 VAL A 39 -3.573 -8.264 4.998 1.00 53.24 C ATOM 0 H VAL A 39 -6.107 -8.943 4.103 1.00 34.54 H new ATOM 0 HA VAL A 39 -5.577 -6.352 5.170 1.00 55.23 H new ATOM 0 HB VAL A 39 -4.199 -7.941 2.959 1.00 1.41 H new ATOM 0 HG11 VAL A 39 -2.218 -6.511 3.380 1.00 43.12 H new ATOM 0 HG12 VAL A 39 -3.607 -5.572 2.783 1.00 43.12 H new ATOM 0 HG13 VAL A 39 -3.179 -5.527 4.509 1.00 43.12 H new ATOM 0 HG21 VAL A 39 -2.560 -8.567 4.735 1.00 53.24 H new ATOM 0 HG22 VAL A 39 -3.554 -7.712 5.938 1.00 53.24 H new ATOM 0 HG23 VAL A 39 -4.199 -9.149 5.110 1.00 53.24 H new ATOM 618 N LEU A 40 -6.623 -6.539 2.003 1.00 61.41 N ATOM 619 CA LEU A 40 -7.192 -5.723 0.899 1.00 20.31 C ATOM 620 C LEU A 40 -8.476 -5.017 1.357 1.00 21.51 C ATOM 621 O LEU A 40 -8.800 -3.920 0.888 1.00 32.42 O ATOM 622 CB LEU A 40 -7.452 -6.593 -0.364 1.00 41.22 C ATOM 623 CG LEU A 40 -8.681 -7.588 -0.347 1.00 32.14 C ATOM 624 CD1 LEU A 40 -9.979 -6.963 -0.920 1.00 24.22 C ATOM 625 CD2 LEU A 40 -8.357 -8.899 -1.068 1.00 55.32 C ATOM 0 H LEU A 40 -6.609 -7.543 1.821 1.00 61.41 H new ATOM 0 HA LEU A 40 -6.462 -4.960 0.629 1.00 20.31 H new ATOM 0 HB2 LEU A 40 -7.581 -5.919 -1.211 1.00 41.22 H new ATOM 0 HB3 LEU A 40 -6.553 -7.178 -0.556 1.00 41.22 H new ATOM 0 HG LEU A 40 -8.868 -7.805 0.705 1.00 32.14 H new ATOM 0 HD11 LEU A 40 -10.784 -7.696 -0.880 1.00 24.22 H new ATOM 0 HD12 LEU A 40 -10.254 -6.090 -0.329 1.00 24.22 H new ATOM 0 HD13 LEU A 40 -9.812 -6.663 -1.955 1.00 24.22 H new ATOM 0 HD21 LEU A 40 -9.226 -9.557 -1.035 1.00 55.32 H new ATOM 0 HD22 LEU A 40 -8.100 -8.689 -2.106 1.00 55.32 H new ATOM 0 HD23 LEU A 40 -7.515 -9.386 -0.577 1.00 55.32 H new ATOM 637 N ASP A 41 -9.180 -5.678 2.301 1.00 11.23 N ATOM 638 CA ASP A 41 -10.442 -5.199 2.856 1.00 53.55 C ATOM 639 C ASP A 41 -10.202 -3.941 3.699 1.00 54.33 C ATOM 640 O ASP A 41 -10.761 -2.896 3.399 1.00 45.34 O ATOM 641 CB ASP A 41 -11.153 -6.298 3.692 1.00 5.15 C ATOM 642 CG ASP A 41 -12.551 -5.857 4.168 1.00 12.01 C ATOM 643 OD1 ASP A 41 -12.693 -5.399 5.322 1.00 23.14 O ATOM 644 OD2 ASP A 41 -13.517 -5.961 3.374 1.00 41.54 O ATOM 0 H ASP A 41 -8.876 -6.568 2.696 1.00 11.23 H new ATOM 0 HA ASP A 41 -11.102 -4.947 2.026 1.00 53.55 H new ATOM 0 HB2 ASP A 41 -11.244 -7.205 3.094 1.00 5.15 H new ATOM 0 HB3 ASP A 41 -10.539 -6.548 4.557 1.00 5.15 H new ATOM 649 N GLN A 42 -9.321 -4.039 4.717 1.00 4.31 N ATOM 650 CA GLN A 42 -9.029 -2.907 5.625 1.00 23.33 C ATOM 651 C GLN A 42 -8.478 -1.678 4.858 1.00 53.33 C ATOM 652 O GLN A 42 -8.738 -0.530 5.239 1.00 1.20 O ATOM 653 CB GLN A 42 -8.059 -3.331 6.755 1.00 70.32 C ATOM 654 CG GLN A 42 -6.652 -3.746 6.286 1.00 13.14 C ATOM 655 CD GLN A 42 -5.670 -4.011 7.428 1.00 53.44 C ATOM 656 OE1 GLN A 42 -6.054 -4.420 8.522 1.00 71.23 O ATOM 657 NE2 GLN A 42 -4.387 -3.776 7.185 1.00 70.40 N ATOM 0 H GLN A 42 -8.800 -4.889 4.931 1.00 4.31 H new ATOM 0 HA GLN A 42 -9.974 -2.611 6.081 1.00 23.33 H new ATOM 0 HB2 GLN A 42 -7.961 -2.504 7.458 1.00 70.32 H new ATOM 0 HB3 GLN A 42 -8.503 -4.163 7.301 1.00 70.32 H new ATOM 0 HG2 GLN A 42 -6.734 -4.645 5.675 1.00 13.14 H new ATOM 0 HG3 GLN A 42 -6.247 -2.962 5.647 1.00 13.14 H new ATOM 0 HE21 GLN A 42 -4.095 -3.437 6.268 1.00 70.40 H new ATOM 0 HE22 GLN A 42 -3.692 -3.934 7.915 1.00 70.40 H new ATOM 666 N VAL A 43 -7.747 -1.942 3.757 1.00 50.50 N ATOM 667 CA VAL A 43 -7.232 -0.897 2.864 1.00 23.02 C ATOM 668 C VAL A 43 -8.395 -0.175 2.154 1.00 70.21 C ATOM 669 O VAL A 43 -8.498 1.054 2.230 1.00 12.23 O ATOM 670 CB VAL A 43 -6.217 -1.494 1.819 1.00 43.52 C ATOM 671 CG1 VAL A 43 -5.854 -0.473 0.722 1.00 40.55 C ATOM 672 CG2 VAL A 43 -4.939 -2.017 2.525 1.00 63.41 C ATOM 0 H VAL A 43 -7.499 -2.888 3.466 1.00 50.50 H new ATOM 0 HA VAL A 43 -6.693 -0.167 3.468 1.00 23.02 H new ATOM 0 HB VAL A 43 -6.712 -2.334 1.333 1.00 43.52 H new ATOM 0 HG11 VAL A 43 -5.152 -0.925 0.022 1.00 40.55 H new ATOM 0 HG12 VAL A 43 -6.757 -0.175 0.189 1.00 40.55 H new ATOM 0 HG13 VAL A 43 -5.396 0.405 1.179 1.00 40.55 H new ATOM 0 HG21 VAL A 43 -4.254 -2.424 1.782 1.00 63.41 H new ATOM 0 HG22 VAL A 43 -4.454 -1.197 3.055 1.00 63.41 H new ATOM 0 HG23 VAL A 43 -5.210 -2.798 3.236 1.00 63.41 H new ATOM 682 N ARG A 44 -9.301 -0.953 1.515 1.00 24.34 N ATOM 683 CA ARG A 44 -10.421 -0.381 0.739 1.00 24.43 C ATOM 684 C ARG A 44 -11.460 0.293 1.660 1.00 64.32 C ATOM 685 O ARG A 44 -12.184 1.174 1.214 1.00 23.41 O ATOM 686 CB ARG A 44 -11.087 -1.436 -0.193 1.00 74.51 C ATOM 687 CG ARG A 44 -11.856 -2.560 0.530 1.00 65.24 C ATOM 688 CD ARG A 44 -12.439 -3.620 -0.416 1.00 72.51 C ATOM 689 NE ARG A 44 -13.076 -4.727 0.328 1.00 54.34 N ATOM 690 CZ ARG A 44 -13.676 -5.792 -0.229 1.00 1.15 C ATOM 691 NH1 ARG A 44 -13.743 -5.920 -1.553 1.00 32.12 N ATOM 692 NH2 ARG A 44 -14.202 -6.730 0.544 1.00 4.51 N ATOM 0 H ARG A 44 -9.276 -1.973 1.523 1.00 24.34 H new ATOM 0 HA ARG A 44 -9.999 0.391 0.095 1.00 24.43 H new ATOM 0 HB2 ARG A 44 -11.774 -0.921 -0.864 1.00 74.51 H new ATOM 0 HB3 ARG A 44 -10.314 -1.888 -0.814 1.00 74.51 H new ATOM 0 HG2 ARG A 44 -11.187 -3.048 1.239 1.00 65.24 H new ATOM 0 HG3 ARG A 44 -12.667 -2.118 1.109 1.00 65.24 H new ATOM 0 HD2 ARG A 44 -13.172 -3.155 -1.075 1.00 72.51 H new ATOM 0 HD3 ARG A 44 -11.646 -4.017 -1.050 1.00 72.51 H new ATOM 0 HE ARG A 44 -13.059 -4.678 1.347 1.00 54.34 H new ATOM 0 HH11 ARG A 44 -13.336 -5.205 -2.156 1.00 32.12 H new ATOM 0 HH12 ARG A 44 -14.201 -6.733 -1.964 1.00 32.12 H new ATOM 0 HH21 ARG A 44 -14.151 -6.642 1.559 1.00 4.51 H new ATOM 0 HH22 ARG A 44 -14.658 -7.540 0.124 1.00 4.51 H new ATOM 706 N GLU A 45 -11.488 -0.094 2.952 1.00 73.04 N ATOM 707 CA GLU A 45 -12.367 0.537 3.958 1.00 71.04 C ATOM 708 C GLU A 45 -11.888 1.957 4.297 1.00 54.30 C ATOM 709 O GLU A 45 -12.692 2.896 4.345 1.00 3.20 O ATOM 710 CB GLU A 45 -12.449 -0.330 5.240 1.00 3.12 C ATOM 711 CG GLU A 45 -13.111 -1.704 5.037 1.00 43.44 C ATOM 712 CD GLU A 45 -14.538 -1.609 4.465 1.00 74.15 C ATOM 713 OE1 GLU A 45 -14.712 -1.692 3.232 1.00 5.35 O ATOM 714 OE2 GLU A 45 -15.493 -1.449 5.258 1.00 2.11 O ATOM 0 H GLU A 45 -10.908 -0.846 3.325 1.00 73.04 H new ATOM 0 HA GLU A 45 -13.366 0.610 3.529 1.00 71.04 H new ATOM 0 HB2 GLU A 45 -11.441 -0.480 5.628 1.00 3.12 H new ATOM 0 HB3 GLU A 45 -13.005 0.219 6.000 1.00 3.12 H new ATOM 0 HG2 GLU A 45 -12.495 -2.301 4.364 1.00 43.44 H new ATOM 0 HG3 GLU A 45 -13.143 -2.230 5.991 1.00 43.44 H new ATOM 721 N HIS A 46 -10.567 2.097 4.528 1.00 33.14 N ATOM 722 CA HIS A 46 -9.927 3.410 4.753 1.00 33.43 C ATOM 723 C HIS A 46 -9.989 4.272 3.481 1.00 20.44 C ATOM 724 O HIS A 46 -10.051 5.495 3.556 1.00 13.04 O ATOM 725 CB HIS A 46 -8.465 3.242 5.245 1.00 35.30 C ATOM 726 CG HIS A 46 -8.361 2.796 6.685 1.00 1.44 C ATOM 727 ND1 HIS A 46 -8.009 1.519 7.068 1.00 63.31 N ATOM 728 CD2 HIS A 46 -8.570 3.479 7.841 1.00 43.33 C ATOM 729 CE1 HIS A 46 -8.016 1.439 8.383 1.00 75.23 C ATOM 730 NE2 HIS A 46 -8.352 2.610 8.876 1.00 52.53 N ATOM 0 H HIS A 46 -9.918 1.311 4.564 1.00 33.14 H new ATOM 0 HA HIS A 46 -10.482 3.926 5.537 1.00 33.43 H new ATOM 0 HB2 HIS A 46 -7.958 2.515 4.610 1.00 35.30 H new ATOM 0 HB3 HIS A 46 -7.939 4.190 5.128 1.00 35.30 H new ATOM 0 HD1 HIS A 46 -7.779 0.755 6.432 1.00 63.31 H new ATOM 0 HD2 HIS A 46 -8.856 4.517 7.927 1.00 43.33 H new ATOM 0 HE1 HIS A 46 -7.784 0.557 8.961 1.00 75.23 H new ATOM 739 N ALA A 47 -10.005 3.596 2.326 1.00 71.14 N ATOM 740 CA ALA A 47 -10.171 4.223 1.009 1.00 14.21 C ATOM 741 C ALA A 47 -11.545 4.895 0.859 1.00 74.24 C ATOM 742 O ALA A 47 -11.653 5.967 0.271 1.00 41.22 O ATOM 743 CB ALA A 47 -9.991 3.172 -0.072 1.00 32.22 C ATOM 0 H ALA A 47 -9.901 2.582 2.279 1.00 71.14 H new ATOM 0 HA ALA A 47 -9.415 5.002 0.909 1.00 14.21 H new ATOM 0 HB1 ALA A 47 -10.113 3.633 -1.052 1.00 32.22 H new ATOM 0 HB2 ALA A 47 -8.993 2.740 0.003 1.00 32.22 H new ATOM 0 HB3 ALA A 47 -10.737 2.387 0.055 1.00 32.22 H new ATOM 749 N ARG A 48 -12.587 4.232 1.402 1.00 51.54 N ATOM 750 CA ARG A 48 -13.980 4.739 1.391 1.00 3.30 C ATOM 751 C ARG A 48 -14.143 5.988 2.288 1.00 32.10 C ATOM 752 O ARG A 48 -15.067 6.786 2.095 1.00 41.12 O ATOM 753 CB ARG A 48 -14.946 3.618 1.853 1.00 15.13 C ATOM 754 CG ARG A 48 -15.003 2.402 0.898 1.00 12.32 C ATOM 755 CD ARG A 48 -15.726 1.182 1.504 1.00 24.34 C ATOM 756 NE ARG A 48 -17.120 1.476 1.878 1.00 71.55 N ATOM 757 CZ ARG A 48 -17.892 0.708 2.672 1.00 65.04 C ATOM 758 NH1 ARG A 48 -17.431 -0.432 3.202 1.00 52.34 N ATOM 759 NH2 ARG A 48 -19.132 1.096 2.941 1.00 72.14 N ATOM 0 H ARG A 48 -12.488 3.327 1.862 1.00 51.54 H new ATOM 0 HA ARG A 48 -14.223 5.036 0.371 1.00 3.30 H new ATOM 0 HB2 ARG A 48 -14.642 3.276 2.842 1.00 15.13 H new ATOM 0 HB3 ARG A 48 -15.948 4.035 1.954 1.00 15.13 H new ATOM 0 HG2 ARG A 48 -15.509 2.695 -0.022 1.00 12.32 H new ATOM 0 HG3 ARG A 48 -13.987 2.115 0.626 1.00 12.32 H new ATOM 0 HD2 ARG A 48 -15.712 0.363 0.785 1.00 24.34 H new ATOM 0 HD3 ARG A 48 -15.181 0.843 2.385 1.00 24.34 H new ATOM 0 HE ARG A 48 -17.535 2.330 1.506 1.00 71.55 H new ATOM 0 HH11 ARG A 48 -16.477 -0.736 3.008 1.00 52.34 H new ATOM 0 HH12 ARG A 48 -18.034 -0.997 3.800 1.00 52.34 H new ATOM 0 HH21 ARG A 48 -19.491 1.966 2.548 1.00 72.14 H new ATOM 0 HH22 ARG A 48 -19.727 0.524 3.541 1.00 72.14 H new ATOM 773 N GLU A 49 -13.237 6.128 3.273 1.00 3.31 N ATOM 774 CA GLU A 49 -13.202 7.276 4.201 1.00 73.43 C ATOM 775 C GLU A 49 -12.475 8.466 3.546 1.00 23.42 C ATOM 776 O GLU A 49 -12.964 9.599 3.572 1.00 61.42 O ATOM 777 CB GLU A 49 -12.499 6.859 5.518 1.00 32.32 C ATOM 778 CG GLU A 49 -13.167 5.670 6.233 1.00 64.54 C ATOM 779 CD GLU A 49 -12.426 5.241 7.505 1.00 40.05 C ATOM 780 OE1 GLU A 49 -11.767 4.178 7.505 1.00 41.15 O ATOM 781 OE2 GLU A 49 -12.486 5.975 8.513 1.00 63.31 O ATOM 0 H GLU A 49 -12.502 5.443 3.450 1.00 3.31 H new ATOM 0 HA GLU A 49 -14.221 7.586 4.432 1.00 73.43 H new ATOM 0 HB2 GLU A 49 -11.462 6.603 5.300 1.00 32.32 H new ATOM 0 HB3 GLU A 49 -12.481 7.713 6.195 1.00 32.32 H new ATOM 0 HG2 GLU A 49 -14.192 5.937 6.489 1.00 64.54 H new ATOM 0 HG3 GLU A 49 -13.220 4.824 5.547 1.00 64.54 H new ATOM 788 N LEU A 50 -11.299 8.178 2.942 1.00 63.24 N ATOM 789 CA LEU A 50 -10.484 9.172 2.199 1.00 73.10 C ATOM 790 C LEU A 50 -11.203 9.641 0.914 1.00 41.50 C ATOM 791 O LEU A 50 -10.884 10.699 0.372 1.00 53.40 O ATOM 792 CB LEU A 50 -9.089 8.575 1.857 1.00 5.13 C ATOM 793 CG LEU A 50 -8.208 8.136 3.072 1.00 74.32 C ATOM 794 CD1 LEU A 50 -6.898 7.474 2.600 1.00 54.14 C ATOM 795 CD2 LEU A 50 -7.926 9.318 4.020 1.00 12.13 C ATOM 0 H LEU A 50 -10.885 7.246 2.955 1.00 63.24 H new ATOM 0 HA LEU A 50 -10.348 10.043 2.839 1.00 73.10 H new ATOM 0 HB2 LEU A 50 -9.236 7.710 1.210 1.00 5.13 H new ATOM 0 HB3 LEU A 50 -8.533 9.314 1.280 1.00 5.13 H new ATOM 0 HG LEU A 50 -8.772 7.392 3.635 1.00 74.32 H new ATOM 0 HD11 LEU A 50 -6.306 7.179 3.467 1.00 54.14 H new ATOM 0 HD12 LEU A 50 -7.131 6.592 2.003 1.00 54.14 H new ATOM 0 HD13 LEU A 50 -6.330 8.182 1.996 1.00 54.14 H new ATOM 0 HD21 LEU A 50 -7.311 8.977 4.853 1.00 12.13 H new ATOM 0 HD22 LEU A 50 -7.399 10.102 3.477 1.00 12.13 H new ATOM 0 HD23 LEU A 50 -8.868 9.711 4.401 1.00 12.13 H new ATOM 807 N GLN A 51 -12.173 8.822 0.456 1.00 74.42 N ATOM 808 CA GLN A 51 -13.062 9.134 -0.686 1.00 2.11 C ATOM 809 C GLN A 51 -13.960 10.349 -0.369 1.00 31.45 C ATOM 810 O GLN A 51 -14.268 11.155 -1.250 1.00 40.14 O ATOM 811 CB GLN A 51 -13.927 7.886 -1.029 1.00 34.55 C ATOM 812 CG GLN A 51 -14.940 8.077 -2.177 1.00 61.35 C ATOM 813 CD GLN A 51 -15.764 6.827 -2.508 1.00 20.11 C ATOM 814 OE1 GLN A 51 -16.059 6.006 -1.636 1.00 22.22 O ATOM 815 NE2 GLN A 51 -16.129 6.663 -3.770 1.00 1.31 N ATOM 0 H GLN A 51 -12.364 7.912 0.874 1.00 74.42 H new ATOM 0 HA GLN A 51 -12.449 9.391 -1.550 1.00 2.11 H new ATOM 0 HB2 GLN A 51 -13.261 7.064 -1.289 1.00 34.55 H new ATOM 0 HB3 GLN A 51 -14.471 7.585 -0.134 1.00 34.55 H new ATOM 0 HG2 GLN A 51 -15.620 8.887 -1.914 1.00 61.35 H new ATOM 0 HG3 GLN A 51 -14.402 8.390 -3.072 1.00 61.35 H new ATOM 0 HE21 GLN A 51 -15.871 7.358 -4.470 1.00 1.31 H new ATOM 0 HE22 GLN A 51 -16.668 5.841 -4.042 1.00 1.31 H new ATOM 824 N LYS A 52 -14.369 10.461 0.907 1.00 25.44 N ATOM 825 CA LYS A 52 -15.222 11.564 1.390 1.00 43.35 C ATOM 826 C LYS A 52 -14.376 12.802 1.731 1.00 3.14 C ATOM 827 O LYS A 52 -14.827 13.939 1.563 1.00 24.51 O ATOM 828 CB LYS A 52 -16.021 11.118 2.638 1.00 13.31 C ATOM 829 CG LYS A 52 -16.930 9.894 2.411 1.00 11.12 C ATOM 830 CD LYS A 52 -17.761 9.543 3.666 1.00 71.04 C ATOM 831 CE LYS A 52 -18.575 8.253 3.502 1.00 34.23 C ATOM 832 NZ LYS A 52 -17.691 7.076 3.280 1.00 52.10 N ATOM 0 H LYS A 52 -14.118 9.790 1.633 1.00 25.44 H new ATOM 0 HA LYS A 52 -15.918 11.826 0.593 1.00 43.35 H new ATOM 0 HB2 LYS A 52 -15.320 10.890 3.441 1.00 13.31 H new ATOM 0 HB3 LYS A 52 -16.634 11.952 2.978 1.00 13.31 H new ATOM 0 HG2 LYS A 52 -17.602 10.093 1.576 1.00 11.12 H new ATOM 0 HG3 LYS A 52 -16.318 9.036 2.131 1.00 11.12 H new ATOM 0 HD2 LYS A 52 -17.092 9.439 4.521 1.00 71.04 H new ATOM 0 HD3 LYS A 52 -18.438 10.368 3.890 1.00 71.04 H new ATOM 0 HE2 LYS A 52 -19.184 8.090 4.391 1.00 34.23 H new ATOM 0 HE3 LYS A 52 -19.261 8.358 2.661 1.00 34.23 H new ATOM 0 HZ1 LYS A 52 -17.844 6.702 2.322 1.00 52.10 H new ATOM 0 HZ2 LYS A 52 -16.697 7.364 3.384 1.00 52.10 H new ATOM 0 HZ3 LYS A 52 -17.913 6.338 3.979 1.00 52.10 H new ATOM 846 N GLN A 53 -13.145 12.557 2.208 1.00 60.54 N ATOM 847 CA GLN A 53 -12.220 13.619 2.657 1.00 42.43 C ATOM 848 C GLN A 53 -11.512 14.259 1.450 1.00 23.51 C ATOM 849 O GLN A 53 -11.236 13.579 0.457 1.00 61.35 O ATOM 850 CB GLN A 53 -11.190 13.030 3.655 1.00 41.23 C ATOM 851 CG GLN A 53 -11.827 12.425 4.916 1.00 74.51 C ATOM 852 CD GLN A 53 -10.811 11.779 5.860 1.00 41.10 C ATOM 853 OE1 GLN A 53 -10.269 12.434 6.753 1.00 24.11 O ATOM 854 NE2 GLN A 53 -10.546 10.496 5.668 1.00 53.33 N ATOM 0 H GLN A 53 -12.759 11.617 2.295 1.00 60.54 H new ATOM 0 HA GLN A 53 -12.789 14.398 3.164 1.00 42.43 H new ATOM 0 HB2 GLN A 53 -10.606 12.261 3.149 1.00 41.23 H new ATOM 0 HB3 GLN A 53 -10.494 13.815 3.951 1.00 41.23 H new ATOM 0 HG2 GLN A 53 -12.365 13.206 5.453 1.00 74.51 H new ATOM 0 HG3 GLN A 53 -12.563 11.677 4.619 1.00 74.51 H new ATOM 0 HE21 GLN A 53 -11.013 9.985 4.919 1.00 53.33 H new ATOM 0 HE22 GLN A 53 -9.874 10.018 6.269 1.00 53.33 H new ATOM 863 N GLY A 54 -11.211 15.566 1.555 1.00 44.34 N ATOM 864 CA GLY A 54 -10.559 16.323 0.477 1.00 45.15 C ATOM 865 C GLY A 54 -9.036 16.191 0.509 1.00 31.24 C ATOM 866 O GLY A 54 -8.317 17.195 0.601 1.00 23.41 O ATOM 0 H GLY A 54 -11.413 16.122 2.386 1.00 44.34 H new ATOM 0 HA2 GLY A 54 -10.931 15.972 -0.486 1.00 45.15 H new ATOM 0 HA3 GLY A 54 -10.831 17.375 0.560 1.00 45.15 H new ATOM 870 N ILE A 55 -8.548 14.936 0.446 1.00 42.42 N ATOM 871 CA ILE A 55 -7.110 14.608 0.431 1.00 31.43 C ATOM 872 C ILE A 55 -6.758 14.003 -0.937 1.00 65.31 C ATOM 873 O ILE A 55 -7.136 12.860 -1.231 1.00 23.55 O ATOM 874 CB ILE A 55 -6.720 13.588 1.577 1.00 0.44 C ATOM 875 CG1 ILE A 55 -7.202 14.106 2.968 1.00 71.33 C ATOM 876 CG2 ILE A 55 -5.189 13.314 1.582 1.00 30.01 C ATOM 877 CD1 ILE A 55 -6.992 13.142 4.127 1.00 21.50 C ATOM 0 H ILE A 55 -9.149 14.113 0.404 1.00 42.42 H new ATOM 0 HA ILE A 55 -6.548 15.525 0.607 1.00 31.43 H new ATOM 0 HB ILE A 55 -7.226 12.644 1.376 1.00 0.44 H new ATOM 0 HG12 ILE A 55 -6.681 15.037 3.192 1.00 71.33 H new ATOM 0 HG13 ILE A 55 -8.264 14.343 2.901 1.00 71.33 H new ATOM 0 HG21 ILE A 55 -4.948 12.610 2.379 1.00 30.01 H new ATOM 0 HG22 ILE A 55 -4.892 12.891 0.622 1.00 30.01 H new ATOM 0 HG23 ILE A 55 -4.653 14.248 1.749 1.00 30.01 H new ATOM 0 HD11 ILE A 55 -7.359 13.595 5.048 1.00 21.50 H new ATOM 0 HD12 ILE A 55 -7.537 12.218 3.935 1.00 21.50 H new ATOM 0 HD13 ILE A 55 -5.929 12.922 4.229 1.00 21.50 H new ATOM 889 N HIS A 56 -6.085 14.785 -1.795 1.00 44.44 N ATOM 890 CA HIS A 56 -5.577 14.296 -3.084 1.00 41.31 C ATOM 891 C HIS A 56 -4.062 14.102 -2.972 1.00 52.24 C ATOM 892 O HIS A 56 -3.326 15.074 -2.901 1.00 12.01 O ATOM 893 CB HIS A 56 -5.929 15.303 -4.211 1.00 75.31 C ATOM 894 CG HIS A 56 -5.507 14.852 -5.586 1.00 21.03 C ATOM 895 ND1 HIS A 56 -6.282 14.028 -6.371 1.00 73.33 N ATOM 896 CD2 HIS A 56 -4.383 15.095 -6.305 1.00 3.13 C ATOM 897 CE1 HIS A 56 -5.657 13.789 -7.505 1.00 43.31 C ATOM 898 NE2 HIS A 56 -4.506 14.423 -7.491 1.00 21.11 N ATOM 0 H HIS A 56 -5.879 15.768 -1.616 1.00 44.44 H new ATOM 0 HA HIS A 56 -6.042 13.342 -3.334 1.00 41.31 H new ATOM 0 HB2 HIS A 56 -7.006 15.473 -4.210 1.00 75.31 H new ATOM 0 HB3 HIS A 56 -5.455 16.260 -3.991 1.00 75.31 H new ATOM 0 HD2 HIS A 56 -3.546 15.705 -5.999 1.00 3.13 H new ATOM 0 HE1 HIS A 56 -6.028 13.175 -8.312 1.00 43.31 H new ATOM 0 HE2 HIS A 56 -3.816 14.416 -8.242 1.00 21.11 H new ATOM 907 N PHE A 57 -3.607 12.850 -2.985 1.00 52.42 N ATOM 908 CA PHE A 57 -2.174 12.507 -2.913 1.00 70.35 C ATOM 909 C PHE A 57 -1.738 11.867 -4.230 1.00 44.22 C ATOM 910 O PHE A 57 -2.582 11.387 -5.003 1.00 65.21 O ATOM 911 CB PHE A 57 -1.905 11.545 -1.718 1.00 54.03 C ATOM 912 CG PHE A 57 -2.697 10.237 -1.778 1.00 13.23 C ATOM 913 CD1 PHE A 57 -2.171 9.111 -2.418 1.00 45.01 C ATOM 914 CD2 PHE A 57 -3.977 10.145 -1.223 1.00 44.23 C ATOM 915 CE1 PHE A 57 -2.892 7.946 -2.498 1.00 64.20 C ATOM 916 CE2 PHE A 57 -4.693 8.969 -1.305 1.00 23.15 C ATOM 917 CZ PHE A 57 -4.146 7.876 -1.946 1.00 13.24 C ATOM 0 H PHE A 57 -4.219 12.036 -3.046 1.00 52.42 H new ATOM 0 HA PHE A 57 -1.594 13.416 -2.751 1.00 70.35 H new ATOM 0 HB2 PHE A 57 -0.841 11.312 -1.686 1.00 54.03 H new ATOM 0 HB3 PHE A 57 -2.146 12.061 -0.789 1.00 54.03 H new ATOM 0 HD1 PHE A 57 -1.185 9.158 -2.855 1.00 45.01 H new ATOM 0 HD2 PHE A 57 -4.408 11.001 -0.726 1.00 44.23 H new ATOM 0 HE1 PHE A 57 -2.472 7.084 -2.996 1.00 64.20 H new ATOM 0 HE2 PHE A 57 -5.679 8.904 -0.869 1.00 23.15 H new ATOM 0 HZ PHE A 57 -4.710 6.958 -2.014 1.00 13.24 H new ATOM 927 N GLU A 58 -0.424 11.836 -4.464 1.00 14.10 N ATOM 928 CA GLU A 58 0.164 11.112 -5.595 1.00 62.25 C ATOM 929 C GLU A 58 1.563 10.624 -5.222 1.00 72.03 C ATOM 930 O GLU A 58 2.318 11.331 -4.557 1.00 32.21 O ATOM 931 CB GLU A 58 0.209 11.997 -6.871 1.00 54.41 C ATOM 932 CG GLU A 58 0.693 11.269 -8.149 1.00 21.22 C ATOM 933 CD GLU A 58 -0.158 10.029 -8.499 1.00 32.13 C ATOM 934 OE1 GLU A 58 0.228 8.890 -8.126 1.00 3.14 O ATOM 935 OE2 GLU A 58 -1.236 10.184 -9.113 1.00 73.44 O ATOM 0 H GLU A 58 0.262 12.311 -3.877 1.00 14.10 H new ATOM 0 HA GLU A 58 -0.465 10.251 -5.820 1.00 62.25 H new ATOM 0 HB2 GLU A 58 -0.788 12.398 -7.054 1.00 54.41 H new ATOM 0 HB3 GLU A 58 0.865 12.847 -6.684 1.00 54.41 H new ATOM 0 HG2 GLU A 58 0.671 11.966 -8.987 1.00 21.22 H new ATOM 0 HG3 GLU A 58 1.731 10.964 -8.015 1.00 21.22 H new ATOM 942 N VAL A 59 1.883 9.403 -5.660 1.00 41.34 N ATOM 943 CA VAL A 59 3.199 8.785 -5.482 1.00 35.23 C ATOM 944 C VAL A 59 4.221 9.482 -6.400 1.00 33.52 C ATOM 945 O VAL A 59 4.017 9.552 -7.614 1.00 24.21 O ATOM 946 CB VAL A 59 3.123 7.248 -5.816 1.00 53.44 C ATOM 947 CG1 VAL A 59 4.518 6.585 -5.815 1.00 53.52 C ATOM 948 CG2 VAL A 59 2.150 6.522 -4.852 1.00 1.22 C ATOM 0 H VAL A 59 1.222 8.806 -6.157 1.00 41.34 H new ATOM 0 HA VAL A 59 3.515 8.898 -4.445 1.00 35.23 H new ATOM 0 HB VAL A 59 2.730 7.153 -6.828 1.00 53.44 H new ATOM 0 HG11 VAL A 59 4.417 5.525 -6.050 1.00 53.52 H new ATOM 0 HG12 VAL A 59 5.149 7.064 -6.563 1.00 53.52 H new ATOM 0 HG13 VAL A 59 4.973 6.697 -4.831 1.00 53.52 H new ATOM 0 HG21 VAL A 59 2.114 5.462 -5.102 1.00 1.22 H new ATOM 0 HG22 VAL A 59 2.498 6.641 -3.826 1.00 1.22 H new ATOM 0 HG23 VAL A 59 1.153 6.952 -4.949 1.00 1.22 H new ATOM 958 N LYS A 60 5.287 10.027 -5.802 1.00 62.35 N ATOM 959 CA LYS A 60 6.378 10.707 -6.539 1.00 63.03 C ATOM 960 C LYS A 60 7.650 9.839 -6.577 1.00 62.32 C ATOM 961 O LYS A 60 8.535 10.059 -7.411 1.00 21.55 O ATOM 962 CB LYS A 60 6.680 12.076 -5.869 1.00 11.52 C ATOM 963 CG LYS A 60 5.476 13.047 -5.812 1.00 43.42 C ATOM 964 CD LYS A 60 4.931 13.448 -7.200 1.00 31.43 C ATOM 965 CE LYS A 60 5.941 14.262 -8.036 1.00 13.31 C ATOM 966 NZ LYS A 60 6.243 15.596 -7.434 1.00 11.12 N ATOM 0 H LYS A 60 5.425 10.013 -4.791 1.00 62.35 H new ATOM 0 HA LYS A 60 6.055 10.868 -7.568 1.00 63.03 H new ATOM 0 HB2 LYS A 60 7.034 11.898 -4.854 1.00 11.52 H new ATOM 0 HB3 LYS A 60 7.494 12.559 -6.411 1.00 11.52 H new ATOM 0 HG2 LYS A 60 4.674 12.583 -5.238 1.00 43.42 H new ATOM 0 HG3 LYS A 60 5.773 13.948 -5.275 1.00 43.42 H new ATOM 0 HD2 LYS A 60 4.656 12.548 -7.749 1.00 31.43 H new ATOM 0 HD3 LYS A 60 4.021 14.033 -7.071 1.00 31.43 H new ATOM 0 HE2 LYS A 60 6.866 13.694 -8.135 1.00 13.31 H new ATOM 0 HE3 LYS A 60 5.545 14.403 -9.042 1.00 13.31 H new ATOM 0 HZ1 LYS A 60 7.258 15.801 -7.535 1.00 11.12 H new ATOM 0 HZ2 LYS A 60 5.691 16.330 -7.922 1.00 11.12 H new ATOM 0 HZ3 LYS A 60 5.990 15.587 -6.425 1.00 11.12 H new ATOM 980 N ARG A 61 7.714 8.833 -5.690 1.00 3.44 N ATOM 981 CA ARG A 61 8.940 8.044 -5.445 1.00 35.32 C ATOM 982 C ARG A 61 8.596 6.746 -4.711 1.00 74.33 C ATOM 983 O ARG A 61 7.845 6.771 -3.744 1.00 52.14 O ATOM 984 CB ARG A 61 9.952 8.917 -4.629 1.00 1.32 C ATOM 985 CG ARG A 61 10.976 8.170 -3.733 1.00 3.25 C ATOM 986 CD ARG A 61 11.811 9.154 -2.883 1.00 15.14 C ATOM 987 NE ARG A 61 12.436 8.516 -1.707 1.00 12.54 N ATOM 988 CZ ARG A 61 12.485 9.051 -0.470 1.00 3.11 C ATOM 989 NH1 ARG A 61 11.953 10.247 -0.214 1.00 44.53 N ATOM 990 NH2 ARG A 61 13.087 8.387 0.506 1.00 55.53 N ATOM 0 H ARG A 61 6.920 8.541 -5.121 1.00 3.44 H new ATOM 0 HA ARG A 61 9.403 7.768 -6.393 1.00 35.32 H new ATOM 0 HB2 ARG A 61 10.508 9.535 -5.333 1.00 1.32 H new ATOM 0 HB3 ARG A 61 9.379 9.593 -3.995 1.00 1.32 H new ATOM 0 HG2 ARG A 61 10.449 7.478 -3.077 1.00 3.25 H new ATOM 0 HG3 ARG A 61 11.641 7.574 -4.358 1.00 3.25 H new ATOM 0 HD2 ARG A 61 12.589 9.594 -3.507 1.00 15.14 H new ATOM 0 HD3 ARG A 61 11.171 9.970 -2.549 1.00 15.14 H new ATOM 0 HE ARG A 61 12.864 7.600 -1.841 1.00 12.54 H new ATOM 0 HH11 ARG A 61 11.499 10.774 -0.960 1.00 44.53 H new ATOM 0 HH12 ARG A 61 12.000 10.635 0.728 1.00 44.53 H new ATOM 0 HH21 ARG A 61 13.509 7.478 0.319 1.00 55.53 H new ATOM 0 HH22 ARG A 61 13.128 8.785 1.444 1.00 55.53 H new ATOM 1004 N VAL A 62 9.148 5.619 -5.199 1.00 22.13 N ATOM 1005 CA VAL A 62 9.081 4.298 -4.529 1.00 0.42 C ATOM 1006 C VAL A 62 10.512 3.759 -4.353 1.00 22.52 C ATOM 1007 O VAL A 62 11.322 3.853 -5.278 1.00 22.15 O ATOM 1008 CB VAL A 62 8.227 3.246 -5.353 1.00 42.23 C ATOM 1009 CG1 VAL A 62 8.221 1.844 -4.682 1.00 62.00 C ATOM 1010 CG2 VAL A 62 6.784 3.749 -5.563 1.00 14.44 C ATOM 0 H VAL A 62 9.660 5.596 -6.081 1.00 22.13 H new ATOM 0 HA VAL A 62 8.590 4.436 -3.565 1.00 0.42 H new ATOM 0 HB VAL A 62 8.706 3.142 -6.327 1.00 42.23 H new ATOM 0 HG11 VAL A 62 7.624 1.156 -5.281 1.00 62.00 H new ATOM 0 HG12 VAL A 62 9.242 1.470 -4.611 1.00 62.00 H new ATOM 0 HG13 VAL A 62 7.792 1.921 -3.683 1.00 62.00 H new ATOM 0 HG21 VAL A 62 6.220 3.009 -6.131 1.00 14.44 H new ATOM 0 HG22 VAL A 62 6.308 3.904 -4.595 1.00 14.44 H new ATOM 0 HG23 VAL A 62 6.803 4.690 -6.112 1.00 14.44 H new ATOM 1020 N GLU A 63 10.825 3.224 -3.163 1.00 11.33 N ATOM 1021 CA GLU A 63 12.107 2.550 -2.878 1.00 61.21 C ATOM 1022 C GLU A 63 11.811 1.263 -2.098 1.00 44.55 C ATOM 1023 O GLU A 63 11.404 1.327 -0.937 1.00 50.44 O ATOM 1024 CB GLU A 63 13.061 3.466 -2.048 1.00 54.35 C ATOM 1025 CG GLU A 63 13.472 4.772 -2.752 1.00 21.24 C ATOM 1026 CD GLU A 63 14.523 5.573 -1.975 1.00 14.03 C ATOM 1027 OE1 GLU A 63 15.694 5.635 -2.408 1.00 23.24 O ATOM 1028 OE2 GLU A 63 14.182 6.144 -0.925 1.00 42.32 O ATOM 0 H GLU A 63 10.192 3.246 -2.363 1.00 11.33 H new ATOM 0 HA GLU A 63 12.608 2.323 -3.819 1.00 61.21 H new ATOM 0 HB2 GLU A 63 12.574 3.715 -1.105 1.00 54.35 H new ATOM 0 HB3 GLU A 63 13.961 2.903 -1.803 1.00 54.35 H new ATOM 0 HG2 GLU A 63 13.863 4.536 -3.742 1.00 21.24 H new ATOM 0 HG3 GLU A 63 12.588 5.392 -2.898 1.00 21.24 H new ATOM 1035 N VAL A 64 11.988 0.098 -2.741 1.00 3.34 N ATOM 1036 CA VAL A 64 11.744 -1.210 -2.105 1.00 63.03 C ATOM 1037 C VAL A 64 13.087 -1.853 -1.677 1.00 61.44 C ATOM 1038 O VAL A 64 14.003 -2.018 -2.489 1.00 3.54 O ATOM 1039 CB VAL A 64 10.911 -2.172 -3.048 1.00 62.11 C ATOM 1040 CG1 VAL A 64 11.606 -2.453 -4.402 1.00 2.44 C ATOM 1041 CG2 VAL A 64 10.549 -3.486 -2.323 1.00 13.42 C ATOM 0 H VAL A 64 12.302 0.034 -3.709 1.00 3.34 H new ATOM 0 HA VAL A 64 11.141 -1.049 -1.211 1.00 63.03 H new ATOM 0 HB VAL A 64 9.988 -1.642 -3.285 1.00 62.11 H new ATOM 0 HG11 VAL A 64 10.983 -3.118 -5.000 1.00 2.44 H new ATOM 0 HG12 VAL A 64 11.753 -1.515 -4.937 1.00 2.44 H new ATOM 0 HG13 VAL A 64 12.573 -2.924 -4.224 1.00 2.44 H new ATOM 0 HG21 VAL A 64 9.977 -4.127 -2.995 1.00 13.42 H new ATOM 0 HG22 VAL A 64 11.462 -3.999 -2.022 1.00 13.42 H new ATOM 0 HG23 VAL A 64 9.951 -3.261 -1.440 1.00 13.42 H new ATOM 1051 N THR A 65 13.216 -2.146 -0.371 1.00 63.22 N ATOM 1052 CA THR A 65 14.378 -2.844 0.205 1.00 64.32 C ATOM 1053 C THR A 65 13.880 -3.817 1.288 1.00 61.11 C ATOM 1054 O THR A 65 13.024 -3.457 2.096 1.00 53.43 O ATOM 1055 CB THR A 65 15.418 -1.834 0.807 1.00 55.04 C ATOM 1056 OG1 THR A 65 15.789 -0.873 -0.196 1.00 74.13 O ATOM 1057 CG2 THR A 65 16.689 -2.552 1.312 1.00 11.22 C ATOM 0 H THR A 65 12.508 -1.902 0.322 1.00 63.22 H new ATOM 0 HA THR A 65 14.889 -3.394 -0.585 1.00 64.32 H new ATOM 0 HB THR A 65 14.947 -1.339 1.656 1.00 55.04 H new ATOM 0 HG1 THR A 65 16.437 -0.241 0.180 1.00 74.13 H new ATOM 0 HG21 THR A 65 17.383 -1.818 1.721 1.00 11.22 H new ATOM 0 HG22 THR A 65 16.418 -3.268 2.088 1.00 11.22 H new ATOM 0 HG23 THR A 65 17.163 -3.078 0.483 1.00 11.22 H new ATOM 1065 N THR A 66 14.403 -5.047 1.287 1.00 64.23 N ATOM 1066 CA THR A 66 13.958 -6.120 2.185 1.00 4.22 C ATOM 1067 C THR A 66 14.923 -6.289 3.372 1.00 61.23 C ATOM 1068 O THR A 66 16.144 -6.289 3.204 1.00 50.43 O ATOM 1069 CB THR A 66 13.833 -7.464 1.399 1.00 65.51 C ATOM 1070 OG1 THR A 66 15.047 -7.710 0.661 1.00 14.34 O ATOM 1071 CG2 THR A 66 12.648 -7.448 0.425 1.00 42.45 C ATOM 0 H THR A 66 15.154 -5.330 0.657 1.00 64.23 H new ATOM 0 HA THR A 66 12.980 -5.845 2.580 1.00 4.22 H new ATOM 0 HB THR A 66 13.664 -8.257 2.128 1.00 65.51 H new ATOM 0 HG1 THR A 66 14.966 -8.555 0.170 1.00 14.34 H new ATOM 0 HG21 THR A 66 12.597 -8.401 -0.101 1.00 42.45 H new ATOM 0 HG22 THR A 66 11.723 -7.290 0.980 1.00 42.45 H new ATOM 0 HG23 THR A 66 12.781 -6.642 -0.296 1.00 42.45 H new ATOM 1079 N ASP A 67 14.339 -6.401 4.569 1.00 4.25 N ATOM 1080 CA ASP A 67 15.044 -6.675 5.831 1.00 3.31 C ATOM 1081 C ASP A 67 14.593 -8.051 6.361 1.00 75.12 C ATOM 1082 O ASP A 67 13.444 -8.208 6.803 1.00 21.24 O ATOM 1083 CB ASP A 67 14.729 -5.547 6.849 1.00 71.12 C ATOM 1084 CG ASP A 67 15.295 -5.794 8.257 1.00 73.55 C ATOM 1085 OD1 ASP A 67 14.509 -6.021 9.203 1.00 14.43 O ATOM 1086 OD2 ASP A 67 16.533 -5.734 8.428 1.00 32.42 O ATOM 0 H ASP A 67 13.332 -6.301 4.693 1.00 4.25 H new ATOM 0 HA ASP A 67 16.122 -6.698 5.674 1.00 3.31 H new ATOM 0 HB2 ASP A 67 15.129 -4.607 6.468 1.00 71.12 H new ATOM 0 HB3 ASP A 67 13.648 -5.428 6.920 1.00 71.12 H new ATOM 1091 N GLY A 68 15.498 -9.044 6.269 1.00 44.40 N ATOM 1092 CA GLY A 68 15.206 -10.432 6.638 1.00 33.01 C ATOM 1093 C GLY A 68 14.392 -11.136 5.559 1.00 72.45 C ATOM 1094 O GLY A 68 14.916 -11.456 4.490 1.00 60.11 O ATOM 0 H GLY A 68 16.451 -8.901 5.936 1.00 44.40 H new ATOM 0 HA2 GLY A 68 16.140 -10.971 6.801 1.00 33.01 H new ATOM 0 HA3 GLY A 68 14.658 -10.452 7.580 1.00 33.01 H new ATOM 1098 N ASN A 69 13.112 -11.386 5.858 1.00 34.22 N ATOM 1099 CA ASN A 69 12.106 -11.886 4.885 1.00 12.32 C ATOM 1100 C ASN A 69 11.035 -10.803 4.652 1.00 43.15 C ATOM 1101 O ASN A 69 10.253 -10.876 3.700 1.00 4.35 O ATOM 1102 CB ASN A 69 11.425 -13.186 5.414 1.00 52.22 C ATOM 1103 CG ASN A 69 12.358 -14.396 5.537 1.00 55.13 C ATOM 1104 OD1 ASN A 69 13.567 -14.270 5.723 1.00 12.25 O ATOM 1105 ND2 ASN A 69 11.786 -15.589 5.465 1.00 1.04 N ATOM 0 H ASN A 69 12.730 -11.248 6.794 1.00 34.22 H new ATOM 0 HA ASN A 69 12.612 -12.115 3.947 1.00 12.32 H new ATOM 0 HB2 ASN A 69 10.990 -12.979 6.392 1.00 52.22 H new ATOM 0 HB3 ASN A 69 10.602 -13.445 4.748 1.00 52.22 H new ATOM 0 HD21 ASN A 69 12.351 -16.432 5.565 1.00 1.04 H new ATOM 0 HD22 ASN A 69 10.781 -15.664 5.310 1.00 1.04 H new ATOM 1112 N THR A 70 11.058 -9.774 5.514 1.00 64.23 N ATOM 1113 CA THR A 70 10.042 -8.725 5.568 1.00 45.54 C ATOM 1114 C THR A 70 10.438 -7.564 4.639 1.00 11.43 C ATOM 1115 O THR A 70 11.561 -7.066 4.705 1.00 3.13 O ATOM 1116 CB THR A 70 9.894 -8.213 7.038 1.00 41.02 C ATOM 1117 OG1 THR A 70 9.622 -9.321 7.912 1.00 5.15 O ATOM 1118 CG2 THR A 70 8.783 -7.168 7.185 1.00 54.14 C ATOM 0 H THR A 70 11.800 -9.651 6.203 1.00 64.23 H new ATOM 0 HA THR A 70 9.087 -9.130 5.235 1.00 45.54 H new ATOM 0 HB THR A 70 10.835 -7.735 7.309 1.00 41.02 H new ATOM 0 HG1 THR A 70 9.532 -8.997 8.832 1.00 5.15 H new ATOM 0 HG21 THR A 70 8.722 -6.846 8.224 1.00 54.14 H new ATOM 0 HG22 THR A 70 9.005 -6.309 6.551 1.00 54.14 H new ATOM 0 HG23 THR A 70 7.831 -7.605 6.884 1.00 54.14 H new ATOM 1126 N VAL A 71 9.504 -7.142 3.784 1.00 4.51 N ATOM 1127 CA VAL A 71 9.742 -6.096 2.776 1.00 73.01 C ATOM 1128 C VAL A 71 9.444 -4.713 3.370 1.00 10.42 C ATOM 1129 O VAL A 71 8.536 -4.577 4.180 1.00 71.13 O ATOM 1130 CB VAL A 71 8.845 -6.324 1.509 1.00 23.31 C ATOM 1131 CG1 VAL A 71 9.224 -5.357 0.365 1.00 31.14 C ATOM 1132 CG2 VAL A 71 8.913 -7.791 1.046 1.00 1.13 C ATOM 0 H VAL A 71 8.555 -7.516 3.768 1.00 4.51 H new ATOM 0 HA VAL A 71 10.789 -6.147 2.478 1.00 73.01 H new ATOM 0 HB VAL A 71 7.814 -6.107 1.789 1.00 23.31 H new ATOM 0 HG11 VAL A 71 8.583 -5.543 -0.496 1.00 31.14 H new ATOM 0 HG12 VAL A 71 9.092 -4.328 0.700 1.00 31.14 H new ATOM 0 HG13 VAL A 71 10.265 -5.517 0.083 1.00 31.14 H new ATOM 0 HG21 VAL A 71 8.283 -7.925 0.166 1.00 1.13 H new ATOM 0 HG22 VAL A 71 9.943 -8.047 0.797 1.00 1.13 H new ATOM 0 HG23 VAL A 71 8.561 -8.442 1.846 1.00 1.13 H new ATOM 1142 N ASN A 72 10.236 -3.706 2.975 1.00 22.22 N ATOM 1143 CA ASN A 72 10.060 -2.305 3.405 1.00 3.22 C ATOM 1144 C ASN A 72 9.932 -1.437 2.153 1.00 51.01 C ATOM 1145 O ASN A 72 10.890 -1.334 1.377 1.00 44.20 O ATOM 1146 CB ASN A 72 11.274 -1.836 4.258 1.00 60.32 C ATOM 1147 CG ASN A 72 11.641 -2.824 5.363 1.00 34.44 C ATOM 1148 OD1 ASN A 72 11.138 -2.750 6.477 1.00 54.11 O ATOM 1149 ND2 ASN A 72 12.514 -3.772 5.058 1.00 54.33 N ATOM 0 H ASN A 72 11.025 -3.839 2.342 1.00 22.22 H new ATOM 0 HA ASN A 72 9.165 -2.217 4.021 1.00 3.22 H new ATOM 0 HB2 ASN A 72 12.135 -1.691 3.606 1.00 60.32 H new ATOM 0 HB3 ASN A 72 11.046 -0.868 4.704 1.00 60.32 H new ATOM 0 HD21 ASN A 72 12.782 -4.463 5.759 1.00 54.33 H new ATOM 0 HD22 ASN A 72 12.918 -3.811 4.122 1.00 54.33 H new ATOM 1156 N VAL A 73 8.748 -0.856 1.920 1.00 33.20 N ATOM 1157 CA VAL A 73 8.542 0.076 0.799 1.00 71.14 C ATOM 1158 C VAL A 73 8.489 1.513 1.338 1.00 22.34 C ATOM 1159 O VAL A 73 7.487 1.929 1.929 1.00 23.12 O ATOM 1160 CB VAL A 73 7.239 -0.257 -0.027 1.00 35.51 C ATOM 1161 CG1 VAL A 73 7.071 0.724 -1.218 1.00 42.24 C ATOM 1162 CG2 VAL A 73 7.256 -1.725 -0.513 1.00 51.44 C ATOM 0 H VAL A 73 7.918 -1.013 2.491 1.00 33.20 H new ATOM 0 HA VAL A 73 9.382 -0.031 0.112 1.00 71.14 H new ATOM 0 HB VAL A 73 6.380 -0.132 0.632 1.00 35.51 H new ATOM 0 HG11 VAL A 73 6.166 0.473 -1.771 1.00 42.24 H new ATOM 0 HG12 VAL A 73 6.995 1.744 -0.841 1.00 42.24 H new ATOM 0 HG13 VAL A 73 7.934 0.645 -1.879 1.00 42.24 H new ATOM 0 HG21 VAL A 73 6.348 -1.931 -1.080 1.00 51.44 H new ATOM 0 HG22 VAL A 73 8.126 -1.888 -1.149 1.00 51.44 H new ATOM 0 HG23 VAL A 73 7.306 -2.393 0.347 1.00 51.44 H new ATOM 1172 N THR A 74 9.591 2.247 1.140 1.00 64.14 N ATOM 1173 CA THR A 74 9.679 3.672 1.452 1.00 64.20 C ATOM 1174 C THR A 74 9.196 4.465 0.223 1.00 14.41 C ATOM 1175 O THR A 74 9.899 4.572 -0.786 1.00 1.13 O ATOM 1176 CB THR A 74 11.150 4.064 1.815 1.00 3.41 C ATOM 1177 OG1 THR A 74 11.608 3.261 2.914 1.00 43.44 O ATOM 1178 CG2 THR A 74 11.291 5.554 2.178 1.00 41.12 C ATOM 0 H THR A 74 10.453 1.861 0.755 1.00 64.14 H new ATOM 0 HA THR A 74 9.053 3.904 2.314 1.00 64.20 H new ATOM 0 HB THR A 74 11.759 3.882 0.930 1.00 3.41 H new ATOM 0 HG1 THR A 74 12.530 3.508 3.138 1.00 43.44 H new ATOM 0 HG21 THR A 74 12.331 5.772 2.421 1.00 41.12 H new ATOM 0 HG22 THR A 74 10.980 6.166 1.331 1.00 41.12 H new ATOM 0 HG23 THR A 74 10.662 5.780 3.039 1.00 41.12 H new ATOM 1186 N VAL A 75 7.982 4.996 0.315 1.00 65.43 N ATOM 1187 CA VAL A 75 7.313 5.698 -0.786 1.00 31.22 C ATOM 1188 C VAL A 75 7.019 7.152 -0.374 1.00 70.41 C ATOM 1189 O VAL A 75 6.364 7.403 0.644 1.00 22.25 O ATOM 1190 CB VAL A 75 6.005 4.931 -1.237 1.00 22.02 C ATOM 1191 CG1 VAL A 75 5.115 4.558 -0.040 1.00 14.24 C ATOM 1192 CG2 VAL A 75 5.211 5.708 -2.314 1.00 12.14 C ATOM 0 H VAL A 75 7.423 4.953 1.167 1.00 65.43 H new ATOM 0 HA VAL A 75 7.976 5.720 -1.651 1.00 31.22 H new ATOM 0 HB VAL A 75 6.337 4.000 -1.697 1.00 22.02 H new ATOM 0 HG11 VAL A 75 4.228 4.033 -0.395 1.00 14.24 H new ATOM 0 HG12 VAL A 75 5.671 3.912 0.639 1.00 14.24 H new ATOM 0 HG13 VAL A 75 4.814 5.464 0.486 1.00 14.24 H new ATOM 0 HG21 VAL A 75 4.322 5.141 -2.591 1.00 12.14 H new ATOM 0 HG22 VAL A 75 4.913 6.678 -1.917 1.00 12.14 H new ATOM 0 HG23 VAL A 75 5.838 5.853 -3.194 1.00 12.14 H new ATOM 1202 N GLU A 76 7.568 8.096 -1.148 1.00 41.23 N ATOM 1203 CA GLU A 76 7.307 9.520 -0.980 1.00 30.52 C ATOM 1204 C GLU A 76 6.003 9.870 -1.708 1.00 2.35 C ATOM 1205 O GLU A 76 5.918 9.723 -2.936 1.00 71.04 O ATOM 1206 CB GLU A 76 8.482 10.346 -1.560 1.00 43.33 C ATOM 1207 CG GLU A 76 8.403 11.864 -1.305 1.00 21.13 C ATOM 1208 CD GLU A 76 8.601 12.217 0.175 1.00 62.41 C ATOM 1209 OE1 GLU A 76 9.772 12.252 0.620 1.00 40.12 O ATOM 1210 OE2 GLU A 76 7.606 12.443 0.893 1.00 23.44 O ATOM 0 H GLU A 76 8.210 7.886 -1.912 1.00 41.23 H new ATOM 0 HA GLU A 76 7.211 9.757 0.080 1.00 30.52 H new ATOM 0 HB2 GLU A 76 9.414 9.970 -1.137 1.00 43.33 H new ATOM 0 HB3 GLU A 76 8.529 10.176 -2.636 1.00 43.33 H new ATOM 0 HG2 GLU A 76 9.162 12.370 -1.902 1.00 21.13 H new ATOM 0 HG3 GLU A 76 7.434 12.236 -1.639 1.00 21.13 H new ATOM 1217 N LEU A 77 4.986 10.277 -0.948 1.00 32.02 N ATOM 1218 CA LEU A 77 3.729 10.788 -1.505 1.00 31.20 C ATOM 1219 C LEU A 77 3.749 12.308 -1.408 1.00 32.32 C ATOM 1220 O LEU A 77 4.519 12.885 -0.641 1.00 62.54 O ATOM 1221 CB LEU A 77 2.465 10.229 -0.783 1.00 55.45 C ATOM 1222 CG LEU A 77 2.171 8.697 -0.937 1.00 10.22 C ATOM 1223 CD1 LEU A 77 3.181 7.833 -0.184 1.00 5.32 C ATOM 1224 CD2 LEU A 77 0.736 8.377 -0.482 1.00 62.14 C ATOM 0 H LEU A 77 5.008 10.263 0.072 1.00 32.02 H new ATOM 0 HA LEU A 77 3.661 10.455 -2.541 1.00 31.20 H new ATOM 0 HB2 LEU A 77 2.558 10.450 0.280 1.00 55.45 H new ATOM 0 HB3 LEU A 77 1.597 10.778 -1.148 1.00 55.45 H new ATOM 0 HG LEU A 77 2.271 8.454 -1.995 1.00 10.22 H new ATOM 0 HD11 LEU A 77 2.934 6.780 -0.322 1.00 5.32 H new ATOM 0 HD12 LEU A 77 4.182 8.024 -0.570 1.00 5.32 H new ATOM 0 HD13 LEU A 77 3.148 8.077 0.878 1.00 5.32 H new ATOM 0 HD21 LEU A 77 0.548 7.309 -0.595 1.00 62.14 H new ATOM 0 HD22 LEU A 77 0.615 8.658 0.564 1.00 62.14 H new ATOM 0 HD23 LEU A 77 0.027 8.937 -1.092 1.00 62.14 H new ATOM 1236 N GLU A 78 2.903 12.941 -2.203 1.00 24.32 N ATOM 1237 CA GLU A 78 2.773 14.393 -2.256 1.00 23.13 C ATOM 1238 C GLU A 78 1.280 14.704 -2.185 1.00 32.35 C ATOM 1239 O GLU A 78 0.545 14.452 -3.140 1.00 21.01 O ATOM 1240 CB GLU A 78 3.421 14.907 -3.564 1.00 24.41 C ATOM 1241 CG GLU A 78 3.680 16.415 -3.627 1.00 70.53 C ATOM 1242 CD GLU A 78 4.453 16.823 -4.888 1.00 41.43 C ATOM 1243 OE1 GLU A 78 5.699 16.698 -4.893 1.00 22.32 O ATOM 1244 OE2 GLU A 78 3.827 17.234 -5.890 1.00 43.01 O ATOM 0 H GLU A 78 2.275 12.454 -2.842 1.00 24.32 H new ATOM 0 HA GLU A 78 3.282 14.891 -1.431 1.00 23.13 H new ATOM 0 HB2 GLU A 78 4.369 14.388 -3.707 1.00 24.41 H new ATOM 0 HB3 GLU A 78 2.777 14.632 -4.400 1.00 24.41 H new ATOM 0 HG2 GLU A 78 2.728 16.946 -3.600 1.00 70.53 H new ATOM 0 HG3 GLU A 78 4.242 16.722 -2.745 1.00 70.53 H new ATOM 1251 N GLU A 79 0.829 15.182 -1.019 1.00 12.25 N ATOM 1252 CA GLU A 79 -0.599 15.324 -0.701 1.00 51.04 C ATOM 1253 C GLU A 79 -1.024 16.804 -0.760 1.00 25.31 C ATOM 1254 O GLU A 79 -0.677 17.591 0.117 1.00 1.12 O ATOM 1255 CB GLU A 79 -0.893 14.729 0.710 1.00 42.51 C ATOM 1256 CG GLU A 79 -0.258 13.345 0.972 1.00 53.15 C ATOM 1257 CD GLU A 79 -0.820 12.650 2.220 1.00 1.14 C ATOM 1258 OE1 GLU A 79 -1.638 11.714 2.072 1.00 1.31 O ATOM 1259 OE2 GLU A 79 -0.463 13.057 3.349 1.00 31.01 O ATOM 0 H GLU A 79 1.447 15.483 -0.265 1.00 12.25 H new ATOM 0 HA GLU A 79 -1.178 14.774 -1.443 1.00 51.04 H new ATOM 0 HB2 GLU A 79 -0.534 15.427 1.466 1.00 42.51 H new ATOM 0 HB3 GLU A 79 -1.972 14.648 0.838 1.00 42.51 H new ATOM 0 HG2 GLU A 79 -0.422 12.707 0.104 1.00 53.15 H new ATOM 0 HG3 GLU A 79 0.820 13.462 1.083 1.00 53.15 H new ATOM 1266 N THR A 80 -1.772 17.151 -1.817 1.00 12.34 N ATOM 1267 CA THR A 80 -2.439 18.442 -1.953 1.00 64.54 C ATOM 1268 C THR A 80 -3.821 18.328 -1.284 1.00 44.35 C ATOM 1269 O THR A 80 -4.727 17.669 -1.803 1.00 31.22 O ATOM 1270 CB THR A 80 -2.603 18.832 -3.463 1.00 4.02 C ATOM 1271 OG1 THR A 80 -1.326 18.788 -4.117 1.00 14.15 O ATOM 1272 CG2 THR A 80 -3.227 20.230 -3.648 1.00 53.14 C ATOM 0 H THR A 80 -1.929 16.529 -2.610 1.00 12.34 H new ATOM 0 HA THR A 80 -1.842 19.219 -1.476 1.00 64.54 H new ATOM 0 HB THR A 80 -3.284 18.108 -3.910 1.00 4.02 H new ATOM 0 HG1 THR A 80 -0.815 19.594 -3.892 1.00 14.15 H new ATOM 0 HG21 THR A 80 -3.318 20.450 -4.712 1.00 53.14 H new ATOM 0 HG22 THR A 80 -4.215 20.252 -3.187 1.00 53.14 H new ATOM 0 HG23 THR A 80 -2.590 20.978 -3.176 1.00 53.14 H new ATOM 1280 N THR A 81 -3.930 18.924 -0.095 1.00 63.30 N ATOM 1281 CA THR A 81 -5.156 18.931 0.707 1.00 71.33 C ATOM 1282 C THR A 81 -5.361 20.352 1.269 1.00 14.45 C ATOM 1283 O THR A 81 -4.453 20.926 1.893 1.00 54.33 O ATOM 1284 CB THR A 81 -5.107 17.840 1.846 1.00 42.14 C ATOM 1285 OG1 THR A 81 -6.287 17.908 2.662 1.00 60.14 O ATOM 1286 CG2 THR A 81 -3.850 17.951 2.733 1.00 34.41 C ATOM 0 H THR A 81 -3.157 19.423 0.345 1.00 63.30 H new ATOM 0 HA THR A 81 -6.009 18.669 0.081 1.00 71.33 H new ATOM 0 HB THR A 81 -5.062 16.874 1.344 1.00 42.14 H new ATOM 0 HG1 THR A 81 -7.074 17.694 2.118 1.00 60.14 H new ATOM 0 HG21 THR A 81 -3.874 17.174 3.497 1.00 34.41 H new ATOM 0 HG22 THR A 81 -2.959 17.827 2.118 1.00 34.41 H new ATOM 0 HG23 THR A 81 -3.828 18.930 3.212 1.00 34.41 H new ATOM 1294 N GLY A 82 -6.552 20.932 0.994 1.00 52.35 N ATOM 1295 CA GLY A 82 -6.867 22.319 1.370 1.00 34.33 C ATOM 1296 C GLY A 82 -6.015 23.347 0.627 1.00 24.21 C ATOM 1297 O GLY A 82 -5.770 24.447 1.137 1.00 55.33 O ATOM 0 H GLY A 82 -7.311 20.453 0.510 1.00 52.35 H new ATOM 0 HA2 GLY A 82 -7.920 22.514 1.168 1.00 34.33 H new ATOM 0 HA3 GLY A 82 -6.720 22.441 2.443 1.00 34.33 H new ATOM 1301 N GLY A 83 -5.542 22.959 -0.575 1.00 40.43 N ATOM 1302 CA GLY A 83 -4.662 23.793 -1.398 1.00 31.43 C ATOM 1303 C GLY A 83 -3.180 23.621 -1.071 1.00 52.02 C ATOM 1304 O GLY A 83 -2.325 24.059 -1.841 1.00 54.24 O ATOM 0 H GLY A 83 -5.763 22.057 -0.997 1.00 40.43 H new ATOM 0 HA2 GLY A 83 -4.825 23.552 -2.449 1.00 31.43 H new ATOM 0 HA3 GLY A 83 -4.937 24.839 -1.264 1.00 31.43 H new ATOM 1308 N THR A 84 -2.876 22.974 0.072 1.00 34.55 N ATOM 1309 CA THR A 84 -1.502 22.820 0.580 1.00 73.51 C ATOM 1310 C THR A 84 -0.896 21.488 0.097 1.00 43.24 C ATOM 1311 O THR A 84 -1.354 20.415 0.507 1.00 3.12 O ATOM 1312 CB THR A 84 -1.492 22.875 2.146 1.00 43.52 C ATOM 1313 OG1 THR A 84 -2.116 24.098 2.591 1.00 2.25 O ATOM 1314 CG2 THR A 84 -0.063 22.790 2.726 1.00 51.13 C ATOM 0 H THR A 84 -3.581 22.543 0.670 1.00 34.55 H new ATOM 0 HA THR A 84 -0.898 23.641 0.194 1.00 73.51 H new ATOM 0 HB THR A 84 -2.048 22.010 2.507 1.00 43.52 H new ATOM 0 HG1 THR A 84 -2.111 24.130 3.570 1.00 2.25 H new ATOM 0 HG21 THR A 84 -0.109 22.832 3.814 1.00 51.13 H new ATOM 0 HG22 THR A 84 0.399 21.852 2.418 1.00 51.13 H new ATOM 0 HG23 THR A 84 0.530 23.626 2.355 1.00 51.13 H new ATOM 1322 N THR A 85 0.119 21.574 -0.777 1.00 71.51 N ATOM 1323 CA THR A 85 0.848 20.411 -1.294 1.00 0.31 C ATOM 1324 C THR A 85 2.024 20.084 -0.344 1.00 73.50 C ATOM 1325 O THR A 85 3.000 20.840 -0.278 1.00 71.20 O ATOM 1326 CB THR A 85 1.371 20.703 -2.742 1.00 45.42 C ATOM 1327 OG1 THR A 85 0.283 21.151 -3.567 1.00 41.31 O ATOM 1328 CG2 THR A 85 2.009 19.467 -3.379 1.00 20.54 C ATOM 0 H THR A 85 0.458 22.462 -1.147 1.00 71.51 H new ATOM 0 HA THR A 85 0.180 19.551 -1.342 1.00 0.31 H new ATOM 0 HB THR A 85 2.135 21.477 -2.667 1.00 45.42 H new ATOM 0 HG1 THR A 85 0.612 21.335 -4.472 1.00 41.31 H new ATOM 0 HG21 THR A 85 2.358 19.714 -4.382 1.00 20.54 H new ATOM 0 HG22 THR A 85 2.853 19.139 -2.772 1.00 20.54 H new ATOM 0 HG23 THR A 85 1.272 18.666 -3.438 1.00 20.54 H new ATOM 1336 N THR A 86 1.903 18.981 0.414 1.00 43.23 N ATOM 1337 CA THR A 86 2.897 18.577 1.426 1.00 41.53 C ATOM 1338 C THR A 86 3.347 17.126 1.180 1.00 25.35 C ATOM 1339 O THR A 86 2.510 16.219 1.117 1.00 55.15 O ATOM 1340 CB THR A 86 2.301 18.704 2.870 1.00 41.14 C ATOM 1341 OG1 THR A 86 1.710 20.003 3.032 1.00 45.42 O ATOM 1342 CG2 THR A 86 3.367 18.495 3.963 1.00 73.20 C ATOM 0 H THR A 86 1.111 18.342 0.343 1.00 43.23 H new ATOM 0 HA THR A 86 3.757 19.241 1.341 1.00 41.53 H new ATOM 0 HB THR A 86 1.550 17.922 2.983 1.00 41.14 H new ATOM 0 HG1 THR A 86 2.187 20.651 2.472 1.00 45.42 H new ATOM 0 HG21 THR A 86 2.905 18.593 4.945 1.00 73.20 H new ATOM 0 HG22 THR A 86 3.800 17.500 3.863 1.00 73.20 H new ATOM 0 HG23 THR A 86 4.151 19.244 3.855 1.00 73.20 H new ATOM 1350 N ASN A 87 4.668 16.925 1.057 1.00 23.14 N ATOM 1351 CA ASN A 87 5.265 15.602 0.836 1.00 74.33 C ATOM 1352 C ASN A 87 5.306 14.812 2.157 1.00 64.33 C ATOM 1353 O ASN A 87 5.981 15.209 3.116 1.00 34.05 O ATOM 1354 CB ASN A 87 6.690 15.739 0.236 1.00 74.33 C ATOM 1355 CG ASN A 87 6.671 16.228 -1.213 1.00 14.44 C ATOM 1356 OD1 ASN A 87 6.675 17.431 -1.474 1.00 31.22 O ATOM 1357 ND2 ASN A 87 6.645 15.302 -2.164 1.00 43.41 N ATOM 0 H ASN A 87 5.353 17.679 1.108 1.00 23.14 H new ATOM 0 HA ASN A 87 4.648 15.056 0.123 1.00 74.33 H new ATOM 0 HB2 ASN A 87 7.271 16.434 0.843 1.00 74.33 H new ATOM 0 HB3 ASN A 87 7.195 14.774 0.284 1.00 74.33 H new ATOM 0 HD21 ASN A 87 6.628 15.579 -3.145 1.00 43.41 H new ATOM 0 HD22 ASN A 87 6.642 14.313 -1.913 1.00 43.41 H new ATOM 1364 N THR A 88 4.555 13.706 2.180 1.00 33.23 N ATOM 1365 CA THR A 88 4.416 12.818 3.337 1.00 63.40 C ATOM 1366 C THR A 88 4.938 11.422 2.956 1.00 12.01 C ATOM 1367 O THR A 88 4.420 10.797 2.022 1.00 54.12 O ATOM 1368 CB THR A 88 2.919 12.742 3.777 1.00 21.24 C ATOM 1369 OG1 THR A 88 2.415 14.071 4.002 1.00 60.53 O ATOM 1370 CG2 THR A 88 2.715 11.898 5.053 1.00 43.24 C ATOM 0 H THR A 88 4.013 13.396 1.373 1.00 33.23 H new ATOM 0 HA THR A 88 4.997 13.206 4.174 1.00 63.40 H new ATOM 0 HB THR A 88 2.372 12.253 2.971 1.00 21.24 H new ATOM 0 HG1 THR A 88 1.443 14.078 3.875 1.00 60.53 H new ATOM 0 HG21 THR A 88 1.656 11.880 5.312 1.00 43.24 H new ATOM 0 HG22 THR A 88 3.062 10.880 4.875 1.00 43.24 H new ATOM 0 HG23 THR A 88 3.282 12.337 5.874 1.00 43.24 H new ATOM 1378 N THR A 89 5.968 10.947 3.674 1.00 32.50 N ATOM 1379 CA THR A 89 6.598 9.653 3.393 1.00 74.34 C ATOM 1380 C THR A 89 5.861 8.542 4.163 1.00 64.10 C ATOM 1381 O THR A 89 5.770 8.584 5.389 1.00 75.23 O ATOM 1382 CB THR A 89 8.117 9.656 3.797 1.00 63.31 C ATOM 1383 OG1 THR A 89 8.755 10.848 3.309 1.00 22.43 O ATOM 1384 CG2 THR A 89 8.864 8.421 3.242 1.00 21.42 C ATOM 0 H THR A 89 6.383 11.447 4.460 1.00 32.50 H new ATOM 0 HA THR A 89 6.532 9.469 2.321 1.00 74.34 H new ATOM 0 HB THR A 89 8.162 9.623 4.886 1.00 63.31 H new ATOM 0 HG1 THR A 89 8.214 11.238 2.591 1.00 22.43 H new ATOM 0 HG21 THR A 89 9.910 8.462 3.544 1.00 21.42 H new ATOM 0 HG22 THR A 89 8.408 7.513 3.636 1.00 21.42 H new ATOM 0 HG23 THR A 89 8.801 8.416 2.154 1.00 21.42 H new ATOM 1392 N TYR A 90 5.327 7.563 3.432 1.00 1.24 N ATOM 1393 CA TYR A 90 4.696 6.371 4.016 1.00 53.23 C ATOM 1394 C TYR A 90 5.689 5.208 3.865 1.00 13.41 C ATOM 1395 O TYR A 90 6.308 5.054 2.813 1.00 4.21 O ATOM 1396 CB TYR A 90 3.357 6.040 3.294 1.00 34.42 C ATOM 1397 CG TYR A 90 2.186 7.012 3.549 1.00 3.22 C ATOM 1398 CD1 TYR A 90 2.241 8.349 3.149 1.00 42.53 C ATOM 1399 CD2 TYR A 90 1.009 6.571 4.156 1.00 34.22 C ATOM 1400 CE1 TYR A 90 1.169 9.203 3.344 1.00 35.22 C ATOM 1401 CE2 TYR A 90 -0.059 7.421 4.356 1.00 13.31 C ATOM 1402 CZ TYR A 90 0.023 8.736 3.950 1.00 33.34 C ATOM 1403 OH TYR A 90 -1.046 9.580 4.165 1.00 33.42 O ATOM 0 H TYR A 90 5.318 7.571 2.412 1.00 1.24 H new ATOM 0 HA TYR A 90 4.460 6.544 5.066 1.00 53.23 H new ATOM 0 HB2 TYR A 90 3.546 6.006 2.221 1.00 34.42 H new ATOM 0 HB3 TYR A 90 3.044 5.040 3.595 1.00 34.42 H new ATOM 0 HD1 TYR A 90 3.138 8.724 2.678 1.00 42.53 H new ATOM 0 HD2 TYR A 90 0.933 5.542 4.476 1.00 34.22 H new ATOM 0 HE1 TYR A 90 1.231 10.232 3.022 1.00 35.22 H new ATOM 0 HE2 TYR A 90 -0.958 7.057 4.830 1.00 13.31 H new ATOM 0 HH TYR A 90 -1.129 10.202 3.412 1.00 33.42 H new ATOM 1413 N GLU A 91 5.870 4.429 4.931 1.00 3.44 N ATOM 1414 CA GLU A 91 6.757 3.255 4.928 1.00 41.24 C ATOM 1415 C GLU A 91 5.908 2.013 5.209 1.00 14.12 C ATOM 1416 O GLU A 91 5.531 1.757 6.352 1.00 44.04 O ATOM 1417 CB GLU A 91 7.855 3.418 6.006 1.00 35.42 C ATOM 1418 CG GLU A 91 8.793 4.626 5.810 1.00 31.40 C ATOM 1419 CD GLU A 91 9.863 4.707 6.904 1.00 24.32 C ATOM 1420 OE1 GLU A 91 10.847 3.934 6.844 1.00 54.15 O ATOM 1421 OE2 GLU A 91 9.725 5.535 7.833 1.00 61.12 O ATOM 0 H GLU A 91 5.407 4.590 5.825 1.00 3.44 H new ATOM 0 HA GLU A 91 7.248 3.154 3.960 1.00 41.24 H new ATOM 0 HB2 GLU A 91 7.375 3.506 6.981 1.00 35.42 H new ATOM 0 HB3 GLU A 91 8.458 2.510 6.028 1.00 35.42 H new ATOM 0 HG2 GLU A 91 9.276 4.555 4.835 1.00 31.40 H new ATOM 0 HG3 GLU A 91 8.206 5.544 5.809 1.00 31.40 H new ATOM 1428 N LEU A 92 5.609 1.250 4.152 1.00 14.32 N ATOM 1429 CA LEU A 92 4.746 0.071 4.242 1.00 42.44 C ATOM 1430 C LEU A 92 5.639 -1.158 4.396 1.00 13.21 C ATOM 1431 O LEU A 92 6.286 -1.594 3.438 1.00 55.42 O ATOM 1432 CB LEU A 92 3.833 -0.052 2.984 1.00 33.23 C ATOM 1433 CG LEU A 92 2.773 1.082 2.768 1.00 50.32 C ATOM 1434 CD1 LEU A 92 3.420 2.418 2.376 1.00 62.42 C ATOM 1435 CD2 LEU A 92 1.712 0.665 1.733 1.00 31.23 C ATOM 0 H LEU A 92 5.959 1.434 3.212 1.00 14.32 H new ATOM 0 HA LEU A 92 4.085 0.159 5.104 1.00 42.44 H new ATOM 0 HB2 LEU A 92 4.473 -0.092 2.102 1.00 33.23 H new ATOM 0 HB3 LEU A 92 3.306 -1.004 3.038 1.00 33.23 H new ATOM 0 HG LEU A 92 2.277 1.233 3.727 1.00 50.32 H new ATOM 0 HD11 LEU A 92 2.644 3.171 2.238 1.00 62.42 H new ATOM 0 HD12 LEU A 92 4.100 2.738 3.165 1.00 62.42 H new ATOM 0 HD13 LEU A 92 3.975 2.294 1.446 1.00 62.42 H new ATOM 0 HD21 LEU A 92 0.991 1.473 1.605 1.00 31.23 H new ATOM 0 HD22 LEU A 92 2.196 0.457 0.779 1.00 31.23 H new ATOM 0 HD23 LEU A 92 1.196 -0.230 2.081 1.00 31.23 H new ATOM 1447 N ARG A 93 5.689 -1.690 5.620 1.00 2.45 N ATOM 1448 CA ARG A 93 6.509 -2.851 5.948 1.00 23.21 C ATOM 1449 C ARG A 93 5.639 -4.112 5.860 1.00 71.03 C ATOM 1450 O ARG A 93 4.835 -4.394 6.754 1.00 44.23 O ATOM 1451 CB ARG A 93 7.155 -2.681 7.356 1.00 13.22 C ATOM 1452 CG ARG A 93 8.298 -3.676 7.633 1.00 43.12 C ATOM 1453 CD ARG A 93 9.060 -3.396 8.940 1.00 15.12 C ATOM 1454 NE ARG A 93 10.303 -4.199 9.041 1.00 32.54 N ATOM 1455 CZ ARG A 93 10.458 -5.314 9.777 1.00 40.15 C ATOM 1456 NH1 ARG A 93 9.452 -5.807 10.496 1.00 42.43 N ATOM 1457 NH2 ARG A 93 11.631 -5.942 9.793 1.00 2.00 N ATOM 0 H ARG A 93 5.159 -1.324 6.411 1.00 2.45 H new ATOM 0 HA ARG A 93 7.328 -2.946 5.236 1.00 23.21 H new ATOM 0 HB2 ARG A 93 7.538 -1.665 7.451 1.00 13.22 H new ATOM 0 HB3 ARG A 93 6.385 -2.804 8.117 1.00 13.22 H new ATOM 0 HG2 ARG A 93 7.888 -4.685 7.671 1.00 43.12 H new ATOM 0 HG3 ARG A 93 9.001 -3.649 6.800 1.00 43.12 H new ATOM 0 HD2 ARG A 93 9.308 -2.336 8.995 1.00 15.12 H new ATOM 0 HD3 ARG A 93 8.415 -3.618 9.790 1.00 15.12 H new ATOM 0 HE ARG A 93 11.110 -3.878 8.506 1.00 32.54 H new ATOM 0 HH11 ARG A 93 8.546 -5.338 10.494 1.00 42.43 H new ATOM 0 HH12 ARG A 93 9.587 -6.654 11.049 1.00 42.43 H new ATOM 0 HH21 ARG A 93 12.412 -5.578 9.247 1.00 2.00 H new ATOM 0 HH22 ARG A 93 11.749 -6.788 10.351 1.00 2.00 H new ATOM 1471 N PHE A 94 5.801 -4.849 4.753 1.00 33.52 N ATOM 1472 CA PHE A 94 5.007 -6.043 4.448 1.00 21.14 C ATOM 1473 C PHE A 94 5.663 -7.269 5.081 1.00 22.24 C ATOM 1474 O PHE A 94 6.719 -7.726 4.637 1.00 33.40 O ATOM 1475 CB PHE A 94 4.913 -6.218 2.910 1.00 43.05 C ATOM 1476 CG PHE A 94 4.078 -5.150 2.224 1.00 4.12 C ATOM 1477 CD1 PHE A 94 4.662 -3.971 1.750 1.00 13.35 C ATOM 1478 CD2 PHE A 94 2.708 -5.321 2.063 1.00 22.42 C ATOM 1479 CE1 PHE A 94 3.896 -3.010 1.135 1.00 64.41 C ATOM 1480 CE2 PHE A 94 1.943 -4.355 1.448 1.00 34.42 C ATOM 1481 CZ PHE A 94 2.537 -3.199 0.987 1.00 23.45 C ATOM 0 H PHE A 94 6.494 -4.629 4.038 1.00 33.52 H new ATOM 0 HA PHE A 94 4.002 -5.932 4.856 1.00 21.14 H new ATOM 0 HB2 PHE A 94 5.919 -6.206 2.490 1.00 43.05 H new ATOM 0 HB3 PHE A 94 4.487 -7.197 2.690 1.00 43.05 H new ATOM 0 HD1 PHE A 94 5.724 -3.814 1.868 1.00 13.35 H new ATOM 0 HD2 PHE A 94 2.237 -6.223 2.425 1.00 22.42 H new ATOM 0 HE1 PHE A 94 4.358 -2.106 0.767 1.00 64.41 H new ATOM 0 HE2 PHE A 94 0.880 -4.502 1.327 1.00 34.42 H new ATOM 0 HZ PHE A 94 1.937 -2.439 0.509 1.00 23.45 H new ATOM 1491 N GLU A 95 5.013 -7.794 6.129 1.00 43.50 N ATOM 1492 CA GLU A 95 5.521 -8.932 6.897 1.00 0.53 C ATOM 1493 C GLU A 95 4.951 -10.233 6.327 1.00 55.02 C ATOM 1494 O GLU A 95 3.729 -10.419 6.254 1.00 64.31 O ATOM 1495 CB GLU A 95 5.175 -8.757 8.389 1.00 22.45 C ATOM 1496 CG GLU A 95 5.814 -9.808 9.317 1.00 75.21 C ATOM 1497 CD GLU A 95 5.710 -9.423 10.795 1.00 64.31 C ATOM 1498 OE1 GLU A 95 6.585 -8.680 11.288 1.00 4.12 O ATOM 1499 OE2 GLU A 95 4.740 -9.828 11.462 1.00 71.43 O ATOM 0 H GLU A 95 4.118 -7.438 6.466 1.00 43.50 H new ATOM 0 HA GLU A 95 6.607 -8.979 6.816 1.00 0.53 H new ATOM 0 HB2 GLU A 95 5.494 -7.765 8.710 1.00 22.45 H new ATOM 0 HB3 GLU A 95 4.092 -8.797 8.506 1.00 22.45 H new ATOM 0 HG2 GLU A 95 5.327 -10.771 9.160 1.00 75.21 H new ATOM 0 HG3 GLU A 95 6.863 -9.934 9.050 1.00 75.21 H new ATOM 1506 N VAL A 96 5.859 -11.117 5.899 1.00 63.12 N ATOM 1507 CA VAL A 96 5.509 -12.355 5.191 1.00 24.33 C ATOM 1508 C VAL A 96 5.493 -13.547 6.158 1.00 41.52 C ATOM 1509 O VAL A 96 6.228 -13.566 7.154 1.00 64.52 O ATOM 1510 CB VAL A 96 6.491 -12.622 3.984 1.00 31.31 C ATOM 1511 CG1 VAL A 96 6.660 -11.344 3.137 1.00 31.33 C ATOM 1512 CG2 VAL A 96 7.863 -13.170 4.432 1.00 24.44 C ATOM 0 H VAL A 96 6.862 -10.994 6.034 1.00 63.12 H new ATOM 0 HA VAL A 96 4.506 -12.234 4.781 1.00 24.33 H new ATOM 0 HB VAL A 96 6.035 -13.400 3.372 1.00 31.31 H new ATOM 0 HG11 VAL A 96 7.340 -11.544 2.309 1.00 31.33 H new ATOM 0 HG12 VAL A 96 5.691 -11.037 2.745 1.00 31.33 H new ATOM 0 HG13 VAL A 96 7.069 -10.547 3.758 1.00 31.33 H new ATOM 0 HG21 VAL A 96 8.493 -13.333 3.557 1.00 24.44 H new ATOM 0 HG22 VAL A 96 8.343 -12.451 5.096 1.00 24.44 H new ATOM 0 HG23 VAL A 96 7.723 -14.114 4.959 1.00 24.44 H new ATOM 1522 N ASP A 97 4.617 -14.508 5.872 1.00 13.44 N ATOM 1523 CA ASP A 97 4.540 -15.794 6.583 1.00 20.33 C ATOM 1524 C ASP A 97 4.771 -16.912 5.561 1.00 50.22 C ATOM 1525 O ASP A 97 3.843 -17.351 4.868 1.00 13.10 O ATOM 1526 CB ASP A 97 3.181 -15.950 7.320 1.00 70.20 C ATOM 1527 CG ASP A 97 3.120 -15.154 8.638 1.00 31.41 C ATOM 1528 OD1 ASP A 97 2.545 -14.042 8.661 1.00 44.44 O ATOM 1529 OD2 ASP A 97 3.662 -15.639 9.657 1.00 4.35 O ATOM 0 H ASP A 97 3.926 -14.419 5.127 1.00 13.44 H new ATOM 0 HA ASP A 97 5.307 -15.844 7.355 1.00 20.33 H new ATOM 0 HB2 ASP A 97 2.377 -15.618 6.663 1.00 70.20 H new ATOM 0 HB3 ASP A 97 3.006 -17.005 7.530 1.00 70.20 H new ATOM 1534 N GLY A 98 6.045 -17.297 5.427 1.00 31.24 N ATOM 1535 CA GLY A 98 6.468 -18.307 4.474 1.00 3.21 C ATOM 1536 C GLY A 98 6.663 -17.728 3.081 1.00 5.14 C ATOM 1537 O GLY A 98 7.344 -16.710 2.923 1.00 21.12 O ATOM 0 H GLY A 98 6.808 -16.910 5.983 1.00 31.24 H new ATOM 0 HA2 GLY A 98 7.401 -18.758 4.813 1.00 3.21 H new ATOM 0 HA3 GLY A 98 5.725 -19.103 4.435 1.00 3.21 H new ATOM 1541 N ASP A 99 6.029 -18.360 2.074 1.00 53.33 N ATOM 1542 CA ASP A 99 6.209 -18.008 0.645 1.00 41.05 C ATOM 1543 C ASP A 99 5.168 -16.981 0.151 1.00 42.23 C ATOM 1544 O ASP A 99 5.095 -16.698 -1.054 1.00 13.20 O ATOM 1545 CB ASP A 99 6.152 -19.290 -0.227 1.00 74.21 C ATOM 1546 CG ASP A 99 7.272 -20.293 0.108 1.00 34.13 C ATOM 1547 OD1 ASP A 99 7.008 -21.302 0.793 1.00 60.35 O ATOM 1548 OD2 ASP A 99 8.433 -20.053 -0.275 1.00 33.32 O ATOM 0 H ASP A 99 5.377 -19.130 2.225 1.00 53.33 H new ATOM 0 HA ASP A 99 7.188 -17.539 0.549 1.00 41.05 H new ATOM 0 HB2 ASP A 99 5.185 -19.774 -0.090 1.00 74.21 H new ATOM 0 HB3 ASP A 99 6.223 -19.012 -1.278 1.00 74.21 H new ATOM 1553 N THR A 100 4.382 -16.416 1.082 1.00 64.01 N ATOM 1554 CA THR A 100 3.381 -15.375 0.775 1.00 34.42 C ATOM 1555 C THR A 100 3.384 -14.294 1.868 1.00 20.11 C ATOM 1556 O THR A 100 3.872 -14.522 2.984 1.00 60.43 O ATOM 1557 CB THR A 100 1.939 -15.975 0.607 1.00 3.30 C ATOM 1558 OG1 THR A 100 1.061 -14.971 0.056 1.00 33.14 O ATOM 1559 CG2 THR A 100 1.351 -16.494 1.940 1.00 44.32 C ATOM 0 H THR A 100 4.421 -16.667 2.070 1.00 64.01 H new ATOM 0 HA THR A 100 3.660 -14.925 -0.178 1.00 34.42 H new ATOM 0 HB THR A 100 2.020 -16.828 -0.067 1.00 3.30 H new ATOM 0 HG1 THR A 100 0.162 -15.346 -0.050 1.00 33.14 H new ATOM 0 HG21 THR A 100 0.354 -16.897 1.765 1.00 44.32 H new ATOM 0 HG22 THR A 100 1.994 -17.277 2.341 1.00 44.32 H new ATOM 0 HG23 THR A 100 1.290 -15.673 2.655 1.00 44.32 H new ATOM 1567 N ILE A 101 2.804 -13.133 1.537 1.00 20.13 N ATOM 1568 CA ILE A 101 2.739 -11.968 2.430 1.00 30.42 C ATOM 1569 C ILE A 101 1.388 -11.990 3.158 1.00 33.04 C ATOM 1570 O ILE A 101 0.363 -12.320 2.549 1.00 15.40 O ATOM 1571 CB ILE A 101 2.893 -10.618 1.630 1.00 61.25 C ATOM 1572 CG1 ILE A 101 4.007 -10.734 0.540 1.00 65.34 C ATOM 1573 CG2 ILE A 101 3.188 -9.442 2.596 1.00 42.35 C ATOM 1574 CD1 ILE A 101 4.074 -9.566 -0.424 1.00 44.25 C ATOM 0 H ILE A 101 2.362 -12.974 0.632 1.00 20.13 H new ATOM 0 HA ILE A 101 3.561 -12.023 3.144 1.00 30.42 H new ATOM 0 HB ILE A 101 1.949 -10.417 1.123 1.00 61.25 H new ATOM 0 HG12 ILE A 101 4.972 -10.834 1.036 1.00 65.34 H new ATOM 0 HG13 ILE A 101 3.845 -11.649 -0.030 1.00 65.34 H new ATOM 0 HG21 ILE A 101 3.291 -8.519 2.025 1.00 42.35 H new ATOM 0 HG22 ILE A 101 2.367 -9.340 3.306 1.00 42.35 H new ATOM 0 HG23 ILE A 101 4.113 -9.639 3.137 1.00 42.35 H new ATOM 0 HD11 ILE A 101 4.875 -9.734 -1.144 1.00 44.25 H new ATOM 0 HD12 ILE A 101 3.125 -9.475 -0.952 1.00 44.25 H new ATOM 0 HD13 ILE A 101 4.270 -8.648 0.130 1.00 44.25 H new ATOM 1586 N ARG A 102 1.379 -11.645 4.452 1.00 41.33 N ATOM 1587 CA ARG A 102 0.181 -11.774 5.308 1.00 14.21 C ATOM 1588 C ARG A 102 -0.175 -10.470 6.027 1.00 11.40 C ATOM 1589 O ARG A 102 -1.354 -10.210 6.285 1.00 2.04 O ATOM 1590 CB ARG A 102 0.397 -12.924 6.329 1.00 11.12 C ATOM 1591 CG ARG A 102 0.361 -14.332 5.699 1.00 64.52 C ATOM 1592 CD ARG A 102 -1.013 -14.659 5.109 1.00 51.05 C ATOM 1593 NE ARG A 102 -1.069 -15.937 4.395 1.00 4.41 N ATOM 1594 CZ ARG A 102 -2.050 -16.290 3.544 1.00 0.13 C ATOM 1595 NH1 ARG A 102 -3.083 -15.471 3.297 1.00 22.15 N ATOM 1596 NH2 ARG A 102 -1.987 -17.467 2.948 1.00 11.31 N ATOM 0 H ARG A 102 2.194 -11.270 4.938 1.00 41.33 H new ATOM 0 HA ARG A 102 -0.665 -12.008 4.662 1.00 14.21 H new ATOM 0 HB2 ARG A 102 1.358 -12.782 6.824 1.00 11.12 H new ATOM 0 HB3 ARG A 102 -0.371 -12.862 7.100 1.00 11.12 H new ATOM 0 HG2 ARG A 102 1.117 -14.399 4.917 1.00 64.52 H new ATOM 0 HG3 ARG A 102 0.617 -15.074 6.455 1.00 64.52 H new ATOM 0 HD2 ARG A 102 -1.748 -14.672 5.914 1.00 51.05 H new ATOM 0 HD3 ARG A 102 -1.302 -13.860 4.426 1.00 51.05 H new ATOM 0 HE ARG A 102 -0.314 -16.604 4.554 1.00 4.41 H new ATOM 0 HH11 ARG A 102 -3.135 -14.562 3.758 1.00 22.15 H new ATOM 0 HH12 ARG A 102 -3.817 -15.757 2.649 1.00 22.15 H new ATOM 0 HH21 ARG A 102 -1.203 -18.092 3.136 1.00 11.31 H new ATOM 0 HH22 ARG A 102 -2.722 -17.751 2.300 1.00 11.31 H new ATOM 1610 N ARG A 103 0.833 -9.650 6.355 1.00 25.22 N ATOM 1611 CA ARG A 103 0.632 -8.425 7.156 1.00 75.03 C ATOM 1612 C ARG A 103 1.304 -7.225 6.476 1.00 71.32 C ATOM 1613 O ARG A 103 2.169 -7.392 5.610 1.00 30.12 O ATOM 1614 CB ARG A 103 1.215 -8.607 8.595 1.00 33.43 C ATOM 1615 CG ARG A 103 0.679 -9.830 9.379 1.00 64.13 C ATOM 1616 CD ARG A 103 1.205 -9.905 10.829 1.00 4.21 C ATOM 1617 NE ARG A 103 0.813 -11.162 11.493 1.00 2.11 N ATOM 1618 CZ ARG A 103 0.440 -11.285 12.784 1.00 32.42 C ATOM 1619 NH1 ARG A 103 0.389 -10.222 13.598 1.00 74.50 N ATOM 1620 NH2 ARG A 103 0.153 -12.491 13.263 1.00 43.12 N ATOM 0 H ARG A 103 1.802 -9.810 6.078 1.00 25.22 H new ATOM 0 HA ARG A 103 -0.440 -8.240 7.229 1.00 75.03 H new ATOM 0 HB2 ARG A 103 2.299 -8.691 8.521 1.00 33.43 H new ATOM 0 HB3 ARG A 103 1.003 -7.706 9.171 1.00 33.43 H new ATOM 0 HG2 ARG A 103 -0.410 -9.792 9.397 1.00 64.13 H new ATOM 0 HG3 ARG A 103 0.958 -10.742 8.851 1.00 64.13 H new ATOM 0 HD2 ARG A 103 2.292 -9.820 10.826 1.00 4.21 H new ATOM 0 HD3 ARG A 103 0.821 -9.059 11.399 1.00 4.21 H new ATOM 0 HE ARG A 103 0.825 -12.011 10.928 1.00 2.11 H new ATOM 0 HH11 ARG A 103 0.635 -9.297 13.245 1.00 74.50 H new ATOM 0 HH12 ARG A 103 0.104 -10.338 14.571 1.00 74.50 H new ATOM 0 HH21 ARG A 103 0.216 -13.309 12.657 1.00 43.12 H new ATOM 0 HH22 ARG A 103 -0.130 -12.599 14.237 1.00 43.12 H new ATOM 1634 N VAL A 104 0.879 -6.018 6.886 1.00 1.04 N ATOM 1635 CA VAL A 104 1.481 -4.743 6.467 1.00 60.04 C ATOM 1636 C VAL A 104 1.396 -3.734 7.627 1.00 54.13 C ATOM 1637 O VAL A 104 0.388 -3.689 8.347 1.00 44.14 O ATOM 1638 CB VAL A 104 0.793 -4.150 5.174 1.00 50.32 C ATOM 1639 CG1 VAL A 104 -0.730 -3.945 5.358 1.00 33.02 C ATOM 1640 CG2 VAL A 104 1.492 -2.844 4.708 1.00 1.23 C ATOM 0 H VAL A 104 0.095 -5.900 7.528 1.00 1.04 H new ATOM 0 HA VAL A 104 2.524 -4.933 6.212 1.00 60.04 H new ATOM 0 HB VAL A 104 0.915 -4.891 4.384 1.00 50.32 H new ATOM 0 HG11 VAL A 104 -1.155 -3.536 4.442 1.00 33.02 H new ATOM 0 HG12 VAL A 104 -1.202 -4.902 5.581 1.00 33.02 H new ATOM 0 HG13 VAL A 104 -0.907 -3.253 6.181 1.00 33.02 H new ATOM 0 HG21 VAL A 104 0.994 -2.463 3.817 1.00 1.23 H new ATOM 0 HG22 VAL A 104 1.437 -2.099 5.501 1.00 1.23 H new ATOM 0 HG23 VAL A 104 2.537 -3.053 4.478 1.00 1.23 H new ATOM 1650 N THR A 105 2.468 -2.959 7.828 1.00 3.15 N ATOM 1651 CA THR A 105 2.498 -1.853 8.787 1.00 33.23 C ATOM 1652 C THR A 105 2.827 -0.560 8.031 1.00 3.24 C ATOM 1653 O THR A 105 3.969 -0.347 7.621 1.00 30.22 O ATOM 1654 CB THR A 105 3.552 -2.128 9.911 1.00 21.10 C ATOM 1655 OG1 THR A 105 3.233 -3.365 10.577 1.00 14.24 O ATOM 1656 CG2 THR A 105 3.617 -0.988 10.948 1.00 30.15 C ATOM 0 H THR A 105 3.346 -3.085 7.324 1.00 3.15 H new ATOM 0 HA THR A 105 1.525 -1.754 9.269 1.00 33.23 H new ATOM 0 HB THR A 105 4.530 -2.192 9.433 1.00 21.10 H new ATOM 0 HG1 THR A 105 3.894 -3.538 11.280 1.00 14.24 H new ATOM 0 HG21 THR A 105 4.363 -1.228 11.706 1.00 30.15 H new ATOM 0 HG22 THR A 105 3.892 -0.058 10.450 1.00 30.15 H new ATOM 0 HG23 THR A 105 2.642 -0.871 11.422 1.00 30.15 H new ATOM 1664 N VAL A 106 1.807 0.283 7.832 1.00 44.32 N ATOM 1665 CA VAL A 106 1.950 1.555 7.118 1.00 71.32 C ATOM 1666 C VAL A 106 2.325 2.653 8.130 1.00 62.04 C ATOM 1667 O VAL A 106 1.477 3.092 8.918 1.00 50.21 O ATOM 1668 CB VAL A 106 0.626 1.948 6.349 1.00 51.41 C ATOM 1669 CG1 VAL A 106 0.838 3.211 5.483 1.00 63.44 C ATOM 1670 CG2 VAL A 106 0.094 0.769 5.497 1.00 51.25 C ATOM 0 H VAL A 106 0.859 0.101 8.162 1.00 44.32 H new ATOM 0 HA VAL A 106 2.736 1.448 6.370 1.00 71.32 H new ATOM 0 HB VAL A 106 -0.132 2.179 7.098 1.00 51.41 H new ATOM 0 HG11 VAL A 106 -0.089 3.457 4.966 1.00 63.44 H new ATOM 0 HG12 VAL A 106 1.130 4.045 6.121 1.00 63.44 H new ATOM 0 HG13 VAL A 106 1.623 3.022 4.750 1.00 63.44 H new ATOM 0 HG21 VAL A 106 -0.817 1.074 4.982 1.00 51.25 H new ATOM 0 HG22 VAL A 106 0.847 0.482 4.763 1.00 51.25 H new ATOM 0 HG23 VAL A 106 -0.123 -0.080 6.146 1.00 51.25 H new ATOM 1680 N THR A 107 3.602 3.056 8.132 1.00 61.01 N ATOM 1681 CA THR A 107 4.105 4.111 9.013 1.00 25.34 C ATOM 1682 C THR A 107 4.102 5.452 8.255 1.00 50.31 C ATOM 1683 O THR A 107 4.961 5.712 7.402 1.00 13.40 O ATOM 1684 CB THR A 107 5.542 3.752 9.523 1.00 44.04 C ATOM 1685 OG1 THR A 107 5.512 2.479 10.198 1.00 71.41 O ATOM 1686 CG2 THR A 107 6.117 4.817 10.472 1.00 73.32 C ATOM 0 H THR A 107 4.315 2.657 7.521 1.00 61.01 H new ATOM 0 HA THR A 107 3.457 4.201 9.885 1.00 25.34 H new ATOM 0 HB THR A 107 6.191 3.708 8.649 1.00 44.04 H new ATOM 0 HG1 THR A 107 6.412 2.255 10.515 1.00 71.41 H new ATOM 0 HG21 THR A 107 7.114 4.517 10.794 1.00 73.32 H new ATOM 0 HG22 THR A 107 6.176 5.773 9.952 1.00 73.32 H new ATOM 0 HG23 THR A 107 5.469 4.917 11.343 1.00 73.32 H new ATOM 1694 N GLN A 108 3.116 6.293 8.577 1.00 64.44 N ATOM 1695 CA GLN A 108 2.920 7.594 7.937 1.00 72.44 C ATOM 1696 C GLN A 108 3.794 8.650 8.630 1.00 3.33 C ATOM 1697 O GLN A 108 3.420 9.195 9.671 1.00 52.20 O ATOM 1698 CB GLN A 108 1.418 7.989 7.991 1.00 24.12 C ATOM 1699 CG GLN A 108 1.090 9.367 7.378 1.00 72.11 C ATOM 1700 CD GLN A 108 -0.389 9.752 7.478 1.00 21.02 C ATOM 1701 OE1 GLN A 108 -1.280 8.898 7.488 1.00 4.31 O ATOM 1702 NE2 GLN A 108 -0.661 11.046 7.547 1.00 12.12 N ATOM 0 H GLN A 108 2.424 6.086 9.298 1.00 64.44 H new ATOM 0 HA GLN A 108 3.219 7.535 6.890 1.00 72.44 H new ATOM 0 HB2 GLN A 108 0.837 7.228 7.470 1.00 24.12 H new ATOM 0 HB3 GLN A 108 1.092 7.983 9.031 1.00 24.12 H new ATOM 0 HG2 GLN A 108 1.689 10.128 7.878 1.00 72.11 H new ATOM 0 HG3 GLN A 108 1.386 9.367 6.329 1.00 72.11 H new ATOM 0 HE21 GLN A 108 0.098 11.728 7.537 1.00 12.12 H new ATOM 0 HE22 GLN A 108 -1.629 11.361 7.611 1.00 12.12 H new ATOM 1711 N ASN A 109 4.988 8.895 8.074 1.00 71.13 N ATOM 1712 CA ASN A 109 5.867 9.982 8.529 1.00 22.22 C ATOM 1713 C ASN A 109 5.331 11.302 7.961 1.00 53.50 C ATOM 1714 O ASN A 109 5.614 11.656 6.804 1.00 62.02 O ATOM 1715 CB ASN A 109 7.348 9.754 8.096 1.00 75.02 C ATOM 1716 CG ASN A 109 8.015 8.495 8.676 1.00 20.41 C ATOM 1717 OD1 ASN A 109 9.167 8.541 9.110 1.00 64.14 O ATOM 1718 ND2 ASN A 109 7.346 7.350 8.627 1.00 41.32 N ATOM 0 H ASN A 109 5.370 8.350 7.301 1.00 71.13 H new ATOM 0 HA ASN A 109 5.865 10.010 9.619 1.00 22.22 H new ATOM 0 HB2 ASN A 109 7.387 9.698 7.008 1.00 75.02 H new ATOM 0 HB3 ASN A 109 7.934 10.624 8.391 1.00 75.02 H new ATOM 0 HD21 ASN A 109 7.785 6.489 8.952 1.00 41.32 H new ATOM 0 HD22 ASN A 109 6.393 7.331 8.264 1.00 41.32 H new