USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 539 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 65 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 69 LYS NZ :NH3+ -166:sc=-0.00847 (180deg=-0.234) USER MOD Single : A 40 THR OG1 : rot 17:sc= 0.811 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ -163:sc= -0.0429 (180deg=-0.467) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -165:sc= -0.0153 (180deg=-0.245) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 66 SER OG : rot -23:sc= 1.15 USER MOD Single : A 70 ASN : amide:sc= -4.68! C(o=-4.7!,f=-11!) USER MOD Single : A 74 SER OG : rot 180:sc= -0.246 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 90 LYS NZ :NH3+ -152:sc= -0.232 (180deg=-1.3!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc=-0.00118 K(o=-0.0012,f=-1.2!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.0585 K(o=-0.059,f=-1.8!) USER MOD Single : A 103 ASN : amide:sc= -0.908 K(o=-0.91,f=-8.3!) USER MOD Single : A 105 LYS NZ :NH3+ -162:sc= -0.0328 (180deg=-0.421) USER MOD Single : A 107 ASN : amide:sc= -1.7! C(o=-1.7!,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 40 -52.538 -15.103 6.407 1.00 0.00 N ATOM 2 CA THR A 40 -52.598 -15.670 5.031 1.00 0.00 C ATOM 3 C THR A 40 -52.733 -14.536 4.021 1.00 0.00 C ATOM 4 O THR A 40 -52.970 -14.772 2.835 1.00 0.00 O ATOM 5 CB THR A 40 -53.800 -16.613 4.925 1.00 0.00 C ATOM 6 OG1 THR A 40 -54.202 -17.014 6.226 1.00 0.00 O ATOM 7 CG2 THR A 40 -53.413 -17.845 4.106 1.00 0.00 C ATOM 0 HA THR A 40 -51.685 -16.227 4.821 1.00 0.00 H new ATOM 0 HB THR A 40 -54.625 -16.097 4.433 1.00 0.00 H new ATOM 0 HG1 THR A 40 -53.820 -16.402 6.890 1.00 0.00 H new ATOM 0 HG21 THR A 40 -54.269 -18.516 4.031 1.00 0.00 H new ATOM 0 HG22 THR A 40 -53.106 -17.536 3.107 1.00 0.00 H new ATOM 0 HG23 THR A 40 -52.588 -18.363 4.595 1.00 0.00 H new ATOM 14 N LYS A 41 -52.579 -13.306 4.499 1.00 0.00 N ATOM 15 CA LYS A 41 -52.682 -12.141 3.628 1.00 0.00 C ATOM 16 C LYS A 41 -51.314 -11.771 3.061 1.00 0.00 C ATOM 17 O LYS A 41 -51.199 -10.872 2.229 1.00 0.00 O ATOM 18 CB LYS A 41 -53.252 -10.952 4.405 1.00 0.00 C ATOM 19 CG LYS A 41 -54.690 -11.258 4.825 1.00 0.00 C ATOM 20 CD LYS A 41 -55.261 -10.064 5.592 1.00 0.00 C ATOM 21 CE LYS A 41 -56.700 -10.367 6.013 1.00 0.00 C ATOM 22 NZ LYS A 41 -57.251 -9.204 6.766 1.00 0.00 N ATOM 0 H LYS A 41 -52.384 -13.091 5.477 1.00 0.00 H new ATOM 0 HA LYS A 41 -53.350 -12.389 2.803 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -52.640 -10.752 5.284 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -53.226 -10.054 3.787 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -55.301 -11.465 3.946 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -54.716 -12.151 5.449 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -54.650 -9.857 6.471 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -55.234 -9.171 4.968 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -57.313 -10.569 5.134 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -56.728 -11.263 6.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -58.229 -9.408 7.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -56.671 -9.032 7.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -57.237 -8.360 6.159 1.00 0.00 H new ATOM 36 N GLN A 42 -50.282 -12.469 3.521 1.00 0.00 N ATOM 37 CA GLN A 42 -48.926 -12.205 3.055 1.00 0.00 C ATOM 38 C GLN A 42 -47.962 -13.271 3.576 1.00 0.00 C ATOM 39 O GLN A 42 -48.032 -14.431 3.168 1.00 0.00 O ATOM 40 CB GLN A 42 -48.475 -10.812 3.515 1.00 0.00 C ATOM 41 CG GLN A 42 -48.930 -10.563 4.958 1.00 0.00 C ATOM 42 CD GLN A 42 -48.459 -9.189 5.420 1.00 0.00 C ATOM 43 OE1 GLN A 42 -47.257 -8.927 5.464 1.00 0.00 O ATOM 44 NE2 GLN A 42 -49.339 -8.291 5.768 1.00 0.00 N ATOM 0 H GLN A 42 -50.357 -13.216 4.211 1.00 0.00 H new ATOM 0 HA GLN A 42 -48.920 -12.238 1.966 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -47.390 -10.732 3.448 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -48.892 -10.050 2.857 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -50.016 -10.625 5.022 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -48.527 -11.335 5.614 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -50.334 -8.511 5.731 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -49.032 -7.369 6.078 1.00 0.00 H new ATOM 53 N LYS A 43 -47.069 -12.878 4.477 1.00 0.00 N ATOM 54 CA LYS A 43 -46.104 -13.813 5.044 1.00 0.00 C ATOM 55 C LYS A 43 -45.967 -13.598 6.550 1.00 0.00 C ATOM 56 O LYS A 43 -45.106 -12.847 7.006 1.00 0.00 O ATOM 57 CB LYS A 43 -44.740 -13.645 4.364 1.00 0.00 C ATOM 58 CG LYS A 43 -44.425 -12.156 4.170 1.00 0.00 C ATOM 59 CD LYS A 43 -43.078 -12.011 3.460 1.00 0.00 C ATOM 60 CE LYS A 43 -42.699 -10.530 3.382 1.00 0.00 C ATOM 61 NZ LYS A 43 -43.718 -9.798 2.579 1.00 0.00 N ATOM 0 H LYS A 43 -46.993 -11.924 4.829 1.00 0.00 H new ATOM 0 HA LYS A 43 -46.465 -14.827 4.869 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -43.964 -14.113 4.969 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -44.741 -14.153 3.399 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -45.211 -11.680 3.584 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -44.396 -11.650 5.135 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -42.310 -12.566 3.998 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -43.135 -12.436 2.458 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -42.637 -10.106 4.384 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -41.714 -10.419 2.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -43.331 -8.879 2.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -43.965 -10.358 1.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -44.570 -9.645 3.156 1.00 0.00 H new ATOM 75 N GLU A 44 -46.817 -14.272 7.318 1.00 0.00 N ATOM 76 CA GLU A 44 -46.778 -14.156 8.770 1.00 0.00 C ATOM 77 C GLU A 44 -45.580 -14.912 9.337 1.00 0.00 C ATOM 78 O GLU A 44 -45.213 -14.733 10.499 1.00 0.00 O ATOM 79 CB GLU A 44 -48.072 -14.706 9.375 1.00 0.00 C ATOM 80 CG GLU A 44 -48.139 -16.220 9.165 1.00 0.00 C ATOM 81 CD GLU A 44 -49.529 -16.735 9.526 1.00 0.00 C ATOM 82 OE1 GLU A 44 -50.471 -16.370 8.841 1.00 0.00 O ATOM 83 OE2 GLU A 44 -49.632 -17.484 10.484 1.00 0.00 O ATOM 0 H GLU A 44 -47.537 -14.900 6.961 1.00 0.00 H new ATOM 0 HA GLU A 44 -46.680 -13.102 9.029 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -48.114 -14.475 10.439 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -48.934 -14.227 8.911 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -47.911 -16.462 8.127 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -47.388 -16.715 9.780 1.00 0.00 H new ATOM 90 N ALA A 45 -44.977 -15.751 8.506 1.00 0.00 N ATOM 91 CA ALA A 45 -43.819 -16.530 8.931 1.00 0.00 C ATOM 92 C ALA A 45 -42.667 -15.608 9.313 1.00 0.00 C ATOM 93 O ALA A 45 -41.985 -15.829 10.313 1.00 0.00 O ATOM 94 CB ALA A 45 -43.376 -17.466 7.807 1.00 0.00 C ATOM 0 H ALA A 45 -45.266 -15.910 7.541 1.00 0.00 H new ATOM 0 HA ALA A 45 -44.102 -17.121 9.802 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -42.511 -18.043 8.134 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -44.191 -18.145 7.556 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -43.109 -16.879 6.928 1.00 0.00 H new ATOM 100 N VAL A 46 -42.460 -14.571 8.509 1.00 0.00 N ATOM 101 CA VAL A 46 -41.392 -13.613 8.770 1.00 0.00 C ATOM 102 C VAL A 46 -41.680 -12.290 8.069 1.00 0.00 C ATOM 103 O VAL A 46 -42.111 -12.271 6.916 1.00 0.00 O ATOM 104 CB VAL A 46 -40.057 -14.174 8.278 1.00 0.00 C ATOM 105 CG1 VAL A 46 -40.129 -14.415 6.769 1.00 0.00 C ATOM 106 CG2 VAL A 46 -38.941 -13.172 8.580 1.00 0.00 C ATOM 0 H VAL A 46 -43.014 -14.373 7.676 1.00 0.00 H new ATOM 0 HA VAL A 46 -41.338 -13.438 9.845 1.00 0.00 H new ATOM 0 HB VAL A 46 -39.849 -15.115 8.787 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -39.177 -14.815 6.419 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -40.924 -15.128 6.552 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -40.337 -13.474 6.260 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -37.989 -13.571 8.230 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -39.149 -12.231 8.071 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -38.888 -12.999 9.655 1.00 0.00 H new ATOM 116 N ASN A 47 -41.436 -11.185 8.766 1.00 0.00 N ATOM 117 CA ASN A 47 -41.671 -9.869 8.184 1.00 0.00 C ATOM 118 C ASN A 47 -40.371 -9.286 7.640 1.00 0.00 C ATOM 119 O ASN A 47 -39.491 -8.890 8.405 1.00 0.00 O ATOM 120 CB ASN A 47 -42.252 -8.927 9.240 1.00 0.00 C ATOM 121 CG ASN A 47 -42.565 -7.573 8.614 1.00 0.00 C ATOM 122 OD1 ASN A 47 -43.354 -7.490 7.674 1.00 0.00 O ATOM 123 ND2 ASN A 47 -41.990 -6.500 9.084 1.00 0.00 N ATOM 0 H ASN A 47 -41.080 -11.173 9.722 1.00 0.00 H new ATOM 0 HA ASN A 47 -42.381 -9.976 7.364 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -43.158 -9.359 9.665 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -41.543 -8.803 10.059 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -42.194 -5.590 8.672 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -41.336 -6.572 9.864 1.00 0.00 H new ATOM 130 N ASP A 48 -40.257 -9.233 6.318 1.00 0.00 N ATOM 131 CA ASP A 48 -39.057 -8.692 5.688 1.00 0.00 C ATOM 132 C ASP A 48 -39.351 -8.257 4.255 1.00 0.00 C ATOM 133 O ASP A 48 -39.408 -9.087 3.347 1.00 0.00 O ATOM 134 CB ASP A 48 -37.950 -9.746 5.687 1.00 0.00 C ATOM 135 CG ASP A 48 -36.676 -9.164 5.084 1.00 0.00 C ATOM 136 OD1 ASP A 48 -36.735 -8.052 4.586 1.00 0.00 O ATOM 137 OD2 ASP A 48 -35.660 -9.837 5.130 1.00 0.00 O ATOM 0 H ASP A 48 -40.973 -9.554 5.666 1.00 0.00 H new ATOM 0 HA ASP A 48 -38.731 -7.822 6.258 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -37.758 -10.085 6.705 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -38.267 -10.618 5.115 1.00 0.00 H new ATOM 142 N LYS A 49 -39.532 -6.955 4.057 1.00 0.00 N ATOM 143 CA LYS A 49 -39.812 -6.427 2.727 1.00 0.00 C ATOM 144 C LYS A 49 -38.574 -5.745 2.154 1.00 0.00 C ATOM 145 O LYS A 49 -38.185 -6.000 1.014 1.00 0.00 O ATOM 146 CB LYS A 49 -40.966 -5.423 2.794 1.00 0.00 C ATOM 147 CG LYS A 49 -42.295 -6.154 2.573 1.00 0.00 C ATOM 148 CD LYS A 49 -42.573 -6.296 1.072 1.00 0.00 C ATOM 149 CE LYS A 49 -43.288 -5.044 0.551 1.00 0.00 C ATOM 150 NZ LYS A 49 -43.595 -5.217 -0.898 1.00 0.00 N ATOM 0 H LYS A 49 -39.490 -6.251 4.794 1.00 0.00 H new ATOM 0 HA LYS A 49 -40.092 -7.256 2.077 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -40.971 -4.923 3.762 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -40.834 -4.650 2.037 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -42.260 -7.139 3.039 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -43.106 -5.604 3.051 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -41.637 -6.441 0.533 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -43.187 -7.178 0.889 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -44.208 -4.877 1.112 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -42.660 -4.165 0.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -44.080 -4.369 -1.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -42.710 -5.357 -1.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -44.209 -6.046 -1.026 1.00 0.00 H new ATOM 164 N GLY A 50 -37.963 -4.875 2.950 1.00 0.00 N ATOM 165 CA GLY A 50 -36.774 -4.155 2.510 1.00 0.00 C ATOM 166 C GLY A 50 -37.154 -2.865 1.792 1.00 0.00 C ATOM 167 O GLY A 50 -36.288 -2.108 1.354 1.00 0.00 O ATOM 0 H GLY A 50 -38.269 -4.652 3.897 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -36.144 -3.926 3.369 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -36.187 -4.787 1.844 1.00 0.00 H new ATOM 171 N LYS A 51 -38.455 -2.616 1.686 1.00 0.00 N ATOM 172 CA LYS A 51 -38.941 -1.406 1.029 1.00 0.00 C ATOM 173 C LYS A 51 -38.440 -0.175 1.778 1.00 0.00 C ATOM 174 O LYS A 51 -38.042 0.817 1.167 1.00 0.00 O ATOM 175 CB LYS A 51 -40.473 -1.409 0.990 1.00 0.00 C ATOM 176 CG LYS A 51 -40.976 -0.165 0.251 1.00 0.00 C ATOM 177 CD LYS A 51 -42.502 -0.196 0.178 1.00 0.00 C ATOM 178 CE LYS A 51 -43.007 1.047 -0.556 1.00 0.00 C ATOM 179 NZ LYS A 51 -44.495 1.009 -0.633 1.00 0.00 N ATOM 0 H LYS A 51 -39.187 -3.230 2.043 1.00 0.00 H new ATOM 0 HA LYS A 51 -38.563 -1.379 0.007 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -40.831 -2.309 0.491 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -40.872 -1.427 2.004 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -40.645 0.736 0.767 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -40.554 -0.131 -0.753 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -42.833 -1.096 -0.340 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -42.923 -0.234 1.183 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -42.682 1.947 -0.034 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -42.581 1.088 -1.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -44.838 1.854 -1.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -44.794 0.157 -1.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -44.892 0.989 0.328 1.00 0.00 H new ATOM 193 N ALA A 52 -38.463 -0.253 3.104 1.00 0.00 N ATOM 194 CA ALA A 52 -38.010 0.854 3.940 1.00 0.00 C ATOM 195 C ALA A 52 -36.544 1.164 3.657 1.00 0.00 C ATOM 196 O ALA A 52 -36.137 2.327 3.636 1.00 0.00 O ATOM 197 CB ALA A 52 -38.184 0.499 5.417 1.00 0.00 C ATOM 0 H ALA A 52 -38.789 -1.069 3.622 1.00 0.00 H new ATOM 0 HA ALA A 52 -38.610 1.734 3.708 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -37.843 1.331 6.034 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -39.236 0.302 5.622 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -37.597 -0.389 5.649 1.00 0.00 H new ATOM 203 N ALA A 53 -35.754 0.118 3.436 1.00 0.00 N ATOM 204 CA ALA A 53 -34.334 0.291 3.153 1.00 0.00 C ATOM 205 C ALA A 53 -34.145 1.200 1.944 1.00 0.00 C ATOM 206 O ALA A 53 -35.018 1.283 1.079 1.00 0.00 O ATOM 207 CB ALA A 53 -33.685 -1.068 2.880 1.00 0.00 C ATOM 0 H ALA A 53 -36.070 -0.852 3.447 1.00 0.00 H new ATOM 0 HA ALA A 53 -33.859 0.749 4.021 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -32.625 -0.929 2.670 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -33.801 -1.709 3.754 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -34.167 -1.535 2.021 1.00 0.00 H new ATOM 213 N VAL A 54 -33.008 1.890 1.898 1.00 0.00 N ATOM 214 CA VAL A 54 -32.721 2.806 0.800 1.00 0.00 C ATOM 215 C VAL A 54 -31.615 2.260 -0.098 1.00 0.00 C ATOM 216 O VAL A 54 -30.834 1.399 0.307 1.00 0.00 O ATOM 217 CB VAL A 54 -32.306 4.170 1.357 1.00 0.00 C ATOM 218 CG1 VAL A 54 -33.498 4.812 2.068 1.00 0.00 C ATOM 219 CG2 VAL A 54 -31.161 3.988 2.358 1.00 0.00 C ATOM 0 H VAL A 54 -32.275 1.832 2.605 1.00 0.00 H new ATOM 0 HA VAL A 54 -33.626 2.913 0.202 1.00 0.00 H new ATOM 0 HB VAL A 54 -31.977 4.810 0.538 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -33.204 5.784 2.465 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -34.317 4.942 1.360 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -33.823 4.169 2.886 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -30.866 4.960 2.754 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -31.491 3.348 3.176 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -30.310 3.527 1.857 1.00 0.00 H new ATOM 229 N VAL A 55 -31.566 2.767 -1.326 1.00 0.00 N ATOM 230 CA VAL A 55 -30.569 2.331 -2.297 1.00 0.00 C ATOM 231 C VAL A 55 -29.172 2.796 -1.893 1.00 0.00 C ATOM 232 O VAL A 55 -28.177 2.356 -2.464 1.00 0.00 O ATOM 233 CB VAL A 55 -30.913 2.888 -3.679 1.00 0.00 C ATOM 234 CG1 VAL A 55 -32.294 2.386 -4.102 1.00 0.00 C ATOM 235 CG2 VAL A 55 -30.922 4.417 -3.627 1.00 0.00 C ATOM 0 H VAL A 55 -32.206 3.481 -1.672 1.00 0.00 H new ATOM 0 HA VAL A 55 -30.576 1.241 -2.327 1.00 0.00 H new ATOM 0 HB VAL A 55 -30.167 2.553 -4.400 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -32.539 2.783 -5.087 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -32.289 1.297 -4.141 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -33.039 2.720 -3.380 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -31.167 4.813 -4.612 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -31.667 4.752 -2.905 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -29.938 4.777 -3.326 1.00 0.00 H new ATOM 245 N LYS A 56 -29.105 3.686 -0.911 1.00 0.00 N ATOM 246 CA LYS A 56 -27.819 4.199 -0.446 1.00 0.00 C ATOM 247 C LYS A 56 -26.958 3.063 0.098 1.00 0.00 C ATOM 248 O LYS A 56 -25.741 3.050 -0.089 1.00 0.00 O ATOM 249 CB LYS A 56 -28.034 5.250 0.647 1.00 0.00 C ATOM 250 CG LYS A 56 -28.643 6.522 0.042 1.00 0.00 C ATOM 251 CD LYS A 56 -27.536 7.429 -0.512 1.00 0.00 C ATOM 252 CE LYS A 56 -28.155 8.732 -1.022 1.00 0.00 C ATOM 253 NZ LYS A 56 -28.994 8.447 -2.220 1.00 0.00 N ATOM 0 H LYS A 56 -29.917 4.066 -0.424 1.00 0.00 H new ATOM 0 HA LYS A 56 -27.306 4.659 -1.291 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -28.693 4.853 1.419 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -27.085 5.485 1.128 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -29.339 6.257 -0.754 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -29.215 7.056 0.801 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -26.802 7.642 0.265 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -27.007 6.924 -1.320 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -28.762 9.189 -0.240 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -27.371 9.445 -1.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -29.206 9.337 -2.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -28.480 7.809 -2.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -29.883 7.996 -1.922 1.00 0.00 H new ATOM 267 N VAL A 57 -27.595 2.115 0.774 1.00 0.00 N ATOM 268 CA VAL A 57 -26.876 0.981 1.348 1.00 0.00 C ATOM 269 C VAL A 57 -26.020 0.289 0.289 1.00 0.00 C ATOM 270 O VAL A 57 -25.083 -0.438 0.617 1.00 0.00 O ATOM 271 CB VAL A 57 -27.871 -0.023 1.935 1.00 0.00 C ATOM 272 CG1 VAL A 57 -28.691 0.652 3.036 1.00 0.00 C ATOM 273 CG2 VAL A 57 -28.809 -0.519 0.833 1.00 0.00 C ATOM 0 H VAL A 57 -28.602 2.107 0.938 1.00 0.00 H new ATOM 0 HA VAL A 57 -26.223 1.354 2.137 1.00 0.00 H new ATOM 0 HB VAL A 57 -27.325 -0.868 2.355 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -29.399 -0.064 3.453 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -28.024 1.003 3.823 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -29.235 1.499 2.617 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -29.517 -1.234 1.252 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -29.353 0.326 0.411 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -28.226 -1.003 0.049 1.00 0.00 H new ATOM 283 N VAL A 58 -26.342 0.522 -0.980 1.00 0.00 N ATOM 284 CA VAL A 58 -25.588 -0.087 -2.072 1.00 0.00 C ATOM 285 C VAL A 58 -24.130 0.362 -2.021 1.00 0.00 C ATOM 286 O VAL A 58 -23.215 -0.441 -2.205 1.00 0.00 O ATOM 287 CB VAL A 58 -26.193 0.308 -3.420 1.00 0.00 C ATOM 288 CG1 VAL A 58 -25.268 -0.151 -4.548 1.00 0.00 C ATOM 289 CG2 VAL A 58 -27.560 -0.359 -3.579 1.00 0.00 C ATOM 0 H VAL A 58 -27.112 1.122 -1.276 1.00 0.00 H new ATOM 0 HA VAL A 58 -25.636 -1.170 -1.960 1.00 0.00 H new ATOM 0 HB VAL A 58 -26.309 1.391 -3.463 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -25.699 0.130 -5.509 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -24.293 0.323 -4.435 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -25.152 -1.234 -4.505 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -27.992 -0.078 -4.539 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -27.444 -1.442 -3.536 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -28.220 -0.033 -2.775 1.00 0.00 H new ATOM 299 N GLU A 59 -23.925 1.652 -1.778 1.00 0.00 N ATOM 300 CA GLU A 59 -22.577 2.208 -1.713 1.00 0.00 C ATOM 301 C GLU A 59 -21.770 1.530 -0.613 1.00 0.00 C ATOM 302 O GLU A 59 -20.573 1.290 -0.770 1.00 0.00 O ATOM 303 CB GLU A 59 -22.648 3.712 -1.443 1.00 0.00 C ATOM 304 CG GLU A 59 -23.195 4.429 -2.678 1.00 0.00 C ATOM 305 CD GLU A 59 -23.439 5.902 -2.361 1.00 0.00 C ATOM 306 OE1 GLU A 59 -23.399 6.249 -1.192 1.00 0.00 O ATOM 307 OE2 GLU A 59 -23.662 6.658 -3.291 1.00 0.00 O ATOM 0 H GLU A 59 -24.671 2.330 -1.623 1.00 0.00 H new ATOM 0 HA GLU A 59 -22.084 2.032 -2.669 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -23.288 3.908 -0.583 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -21.658 4.095 -1.197 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -22.489 4.338 -3.504 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -24.124 3.959 -3.000 1.00 0.00 H new ATOM 314 N SER A 60 -22.429 1.215 0.496 1.00 0.00 N ATOM 315 CA SER A 60 -21.752 0.556 1.604 1.00 0.00 C ATOM 316 C SER A 60 -21.182 -0.783 1.145 1.00 0.00 C ATOM 317 O SER A 60 -20.043 -1.127 1.462 1.00 0.00 O ATOM 318 CB SER A 60 -22.729 0.330 2.758 1.00 0.00 C ATOM 319 OG SER A 60 -22.054 -0.319 3.827 1.00 0.00 O ATOM 0 H SER A 60 -23.420 1.403 0.650 1.00 0.00 H new ATOM 0 HA SER A 60 -20.938 1.195 1.946 1.00 0.00 H new ATOM 0 HB2 SER A 60 -23.137 1.283 3.096 1.00 0.00 H new ATOM 0 HB3 SER A 60 -23.571 -0.276 2.423 1.00 0.00 H new ATOM 0 HG SER A 60 -22.678 -0.463 4.568 1.00 0.00 H new ATOM 325 N GLN A 61 -21.980 -1.527 0.386 1.00 0.00 N ATOM 326 CA GLN A 61 -21.547 -2.823 -0.125 1.00 0.00 C ATOM 327 C GLN A 61 -20.350 -2.651 -1.055 1.00 0.00 C ATOM 328 O GLN A 61 -19.412 -3.449 -1.032 1.00 0.00 O ATOM 329 CB GLN A 61 -22.695 -3.496 -0.881 1.00 0.00 C ATOM 330 CG GLN A 61 -22.268 -4.898 -1.320 1.00 0.00 C ATOM 331 CD GLN A 61 -23.433 -5.606 -2.006 1.00 0.00 C ATOM 332 OE1 GLN A 61 -24.535 -5.063 -2.077 1.00 0.00 O ATOM 333 NE2 GLN A 61 -23.252 -6.793 -2.517 1.00 0.00 N ATOM 0 H GLN A 61 -22.925 -1.257 0.112 1.00 0.00 H new ATOM 0 HA GLN A 61 -21.254 -3.450 0.717 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -23.577 -3.556 -0.244 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -22.970 -2.900 -1.751 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -21.419 -4.832 -2.001 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -21.939 -5.475 -0.455 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -22.337 -7.240 -2.456 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -24.025 -7.274 -2.977 1.00 0.00 H new ATOM 342 N ALA A 62 -20.392 -1.605 -1.874 1.00 0.00 N ATOM 343 CA ALA A 62 -19.311 -1.329 -2.816 1.00 0.00 C ATOM 344 C ALA A 62 -17.997 -1.095 -2.078 1.00 0.00 C ATOM 345 O ALA A 62 -16.934 -1.512 -2.537 1.00 0.00 O ATOM 346 CB ALA A 62 -19.652 -0.096 -3.656 1.00 0.00 C ATOM 0 H ALA A 62 -21.161 -0.935 -1.905 1.00 0.00 H new ATOM 0 HA ALA A 62 -19.197 -2.195 -3.468 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -18.841 0.103 -4.356 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -20.573 -0.277 -4.210 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -19.785 0.765 -3.001 1.00 0.00 H new ATOM 352 N GLU A 63 -18.077 -0.419 -0.936 1.00 0.00 N ATOM 353 CA GLU A 63 -16.884 -0.130 -0.149 1.00 0.00 C ATOM 354 C GLU A 63 -16.201 -1.425 0.276 1.00 0.00 C ATOM 355 O GLU A 63 -14.973 -1.514 0.285 1.00 0.00 O ATOM 356 CB GLU A 63 -17.262 0.683 1.092 1.00 0.00 C ATOM 357 CG GLU A 63 -17.674 2.096 0.673 1.00 0.00 C ATOM 358 CD GLU A 63 -18.222 2.857 1.874 1.00 0.00 C ATOM 359 OE1 GLU A 63 -18.480 2.222 2.885 1.00 0.00 O ATOM 360 OE2 GLU A 63 -18.378 4.062 1.768 1.00 0.00 O ATOM 0 H GLU A 63 -18.947 -0.064 -0.538 1.00 0.00 H new ATOM 0 HA GLU A 63 -16.194 0.448 -0.764 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -18.081 0.197 1.622 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -16.418 0.728 1.781 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -16.817 2.625 0.257 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -18.429 2.046 -0.112 1.00 0.00 H new ATOM 367 N LEU A 64 -17.001 -2.427 0.625 1.00 0.00 N ATOM 368 CA LEU A 64 -16.459 -3.710 1.045 1.00 0.00 C ATOM 369 C LEU A 64 -15.624 -4.317 -0.081 1.00 0.00 C ATOM 370 O LEU A 64 -14.533 -4.833 0.149 1.00 0.00 O ATOM 371 CB LEU A 64 -17.608 -4.654 1.415 1.00 0.00 C ATOM 372 CG LEU A 64 -17.063 -6.016 1.863 1.00 0.00 C ATOM 373 CD1 LEU A 64 -16.172 -5.836 3.094 1.00 0.00 C ATOM 374 CD2 LEU A 64 -18.237 -6.929 2.220 1.00 0.00 C ATOM 0 H LEU A 64 -18.020 -2.375 0.625 1.00 0.00 H new ATOM 0 HA LEU A 64 -15.820 -3.564 1.916 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -18.205 -4.214 2.214 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -18.269 -4.784 0.558 1.00 0.00 H new ATOM 0 HG LEU A 64 -16.478 -6.458 1.056 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.787 -6.806 3.409 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -15.339 -5.177 2.847 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -16.755 -5.396 3.904 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -17.859 -7.900 2.540 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -18.814 -6.480 3.028 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -18.876 -7.058 1.347 1.00 0.00 H new ATOM 386 N TYR A 65 -16.144 -4.251 -1.300 1.00 0.00 N ATOM 387 CA TYR A 65 -15.433 -4.795 -2.449 1.00 0.00 C ATOM 388 C TYR A 65 -14.088 -4.094 -2.638 1.00 0.00 C ATOM 389 O TYR A 65 -13.059 -4.742 -2.822 1.00 0.00 O ATOM 390 CB TYR A 65 -16.278 -4.628 -3.715 1.00 0.00 C ATOM 391 CG TYR A 65 -15.492 -5.105 -4.913 1.00 0.00 C ATOM 392 CD1 TYR A 65 -15.369 -6.476 -5.170 1.00 0.00 C ATOM 393 CD2 TYR A 65 -14.886 -4.175 -5.767 1.00 0.00 C ATOM 394 CE1 TYR A 65 -14.640 -6.917 -6.280 1.00 0.00 C ATOM 395 CE2 TYR A 65 -14.158 -4.617 -6.878 1.00 0.00 C ATOM 396 CZ TYR A 65 -14.035 -5.988 -7.134 1.00 0.00 C ATOM 397 OH TYR A 65 -13.316 -6.422 -8.230 1.00 0.00 O ATOM 0 H TYR A 65 -17.047 -3.830 -1.517 1.00 0.00 H new ATOM 0 HA TYR A 65 -15.253 -5.855 -2.267 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -17.204 -5.196 -3.625 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -16.557 -3.582 -3.843 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -15.837 -7.193 -4.512 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -14.980 -3.118 -5.569 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -14.544 -7.974 -6.478 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -13.691 -3.900 -7.538 1.00 0.00 H new ATOM 0 HH TYR A 65 -12.963 -5.648 -8.717 1.00 0.00 H new ATOM 407 N SER A 66 -14.111 -2.763 -2.604 1.00 0.00 N ATOM 408 CA SER A 66 -12.894 -1.976 -2.787 1.00 0.00 C ATOM 409 C SER A 66 -11.899 -2.212 -1.652 1.00 0.00 C ATOM 410 O SER A 66 -10.696 -2.022 -1.825 1.00 0.00 O ATOM 411 CB SER A 66 -13.244 -0.490 -2.851 1.00 0.00 C ATOM 412 OG SER A 66 -13.787 -0.079 -1.601 1.00 0.00 O ATOM 0 H SER A 66 -14.954 -2.210 -2.452 1.00 0.00 H new ATOM 0 HA SER A 66 -12.430 -2.292 -3.721 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.354 0.095 -3.084 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.963 -0.308 -3.650 1.00 0.00 H new ATOM 0 HG SER A 66 -14.158 -0.857 -1.134 1.00 0.00 H new ATOM 418 N LEU A 67 -12.404 -2.621 -0.492 1.00 0.00 N ATOM 419 CA LEU A 67 -11.536 -2.868 0.655 1.00 0.00 C ATOM 420 C LEU A 67 -10.551 -3.989 0.338 1.00 0.00 C ATOM 421 O LEU A 67 -9.372 -3.909 0.685 1.00 0.00 O ATOM 422 CB LEU A 67 -12.377 -3.235 1.885 1.00 0.00 C ATOM 423 CG LEU A 67 -11.475 -3.470 3.102 1.00 0.00 C ATOM 424 CD1 LEU A 67 -10.693 -2.196 3.425 1.00 0.00 C ATOM 425 CD2 LEU A 67 -12.345 -3.845 4.304 1.00 0.00 C ATOM 0 H LEU A 67 -13.396 -2.787 -0.322 1.00 0.00 H new ATOM 0 HA LEU A 67 -10.975 -1.959 0.872 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -13.086 -2.436 2.100 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -12.961 -4.132 1.679 1.00 0.00 H new ATOM 0 HG LEU A 67 -10.774 -4.275 2.882 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.054 -2.371 4.291 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -10.077 -1.921 2.569 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -11.390 -1.387 3.645 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -11.710 -4.014 5.174 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -13.042 -3.034 4.515 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -12.903 -4.754 4.080 1.00 0.00 H new ATOM 437 N GLU A 68 -11.040 -5.035 -0.321 1.00 0.00 N ATOM 438 CA GLU A 68 -10.189 -6.166 -0.677 1.00 0.00 C ATOM 439 C GLU A 68 -9.064 -5.715 -1.603 1.00 0.00 C ATOM 440 O GLU A 68 -7.924 -6.160 -1.472 1.00 0.00 O ATOM 441 CB GLU A 68 -11.021 -7.247 -1.369 1.00 0.00 C ATOM 442 CG GLU A 68 -11.957 -7.902 -0.351 1.00 0.00 C ATOM 443 CD GLU A 68 -12.914 -8.854 -1.061 1.00 0.00 C ATOM 444 OE1 GLU A 68 -12.980 -8.798 -2.277 1.00 0.00 O ATOM 445 OE2 GLU A 68 -13.568 -9.623 -0.377 1.00 0.00 O ATOM 0 H GLU A 68 -12.012 -5.123 -0.617 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.753 -6.573 0.235 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.600 -6.810 -2.182 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.366 -7.997 -1.812 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.375 -8.446 0.393 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.521 -7.137 0.182 1.00 0.00 H new ATOM 452 N LYS A 69 -9.392 -4.830 -2.539 1.00 0.00 N ATOM 453 CA LYS A 69 -8.401 -4.324 -3.481 1.00 0.00 C ATOM 454 C LYS A 69 -7.432 -3.379 -2.777 1.00 0.00 C ATOM 455 O LYS A 69 -6.375 -3.047 -3.312 1.00 0.00 O ATOM 456 CB LYS A 69 -9.097 -3.583 -4.628 1.00 0.00 C ATOM 457 CG LYS A 69 -9.968 -4.558 -5.432 1.00 0.00 C ATOM 458 CD LYS A 69 -9.117 -5.295 -6.474 1.00 0.00 C ATOM 459 CE LYS A 69 -10.027 -6.167 -7.345 1.00 0.00 C ATOM 460 NZ LYS A 69 -10.590 -7.273 -6.522 1.00 0.00 N ATOM 0 H LYS A 69 -10.330 -4.451 -2.665 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.843 -5.170 -3.883 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.713 -2.776 -4.230 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.353 -3.125 -5.280 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.436 -5.277 -4.760 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.772 -4.014 -5.928 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.579 -4.578 -7.094 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.368 -5.913 -5.978 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.833 -5.565 -7.764 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.464 -6.574 -8.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.008 -7.992 -7.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.832 -7.705 -5.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.324 -6.896 -5.889 1.00 0.00 H new ATOM 474 N ASN A 70 -7.793 -2.966 -1.567 1.00 0.00 N ATOM 475 CA ASN A 70 -6.937 -2.077 -0.791 1.00 0.00 C ATOM 476 C ASN A 70 -6.511 -0.871 -1.622 1.00 0.00 C ATOM 477 O ASN A 70 -5.334 -0.511 -1.644 1.00 0.00 O ATOM 478 CB ASN A 70 -5.696 -2.835 -0.315 1.00 0.00 C ATOM 479 CG ASN A 70 -6.112 -4.040 0.519 1.00 0.00 C ATOM 480 OD1 ASN A 70 -5.797 -5.179 0.168 1.00 0.00 O ATOM 481 ND2 ASN A 70 -6.804 -3.860 1.611 1.00 0.00 N ATOM 0 H ASN A 70 -8.664 -3.229 -1.106 1.00 0.00 H new ATOM 0 HA ASN A 70 -7.503 -1.723 0.071 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.107 -3.161 -1.172 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -5.060 -2.175 0.276 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.085 -4.662 2.175 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -7.064 -2.917 1.900 1.00 0.00 H new ATOM 488 N GLU A 71 -7.465 -0.255 -2.311 1.00 0.00 N ATOM 489 CA GLU A 71 -7.152 0.902 -3.141 1.00 0.00 C ATOM 490 C GLU A 71 -6.574 2.025 -2.286 1.00 0.00 C ATOM 491 O GLU A 71 -5.605 2.677 -2.678 1.00 0.00 O ATOM 492 CB GLU A 71 -8.417 1.396 -3.845 1.00 0.00 C ATOM 493 CG GLU A 71 -8.839 0.386 -4.913 1.00 0.00 C ATOM 494 CD GLU A 71 -10.195 0.774 -5.492 1.00 0.00 C ATOM 495 OE1 GLU A 71 -10.845 1.624 -4.905 1.00 0.00 O ATOM 496 OE2 GLU A 71 -10.563 0.217 -6.512 1.00 0.00 O ATOM 0 H GLU A 71 -8.447 -0.532 -2.312 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.414 0.606 -3.887 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.220 1.530 -3.120 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.234 2.369 -4.302 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.092 0.350 -5.706 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -8.892 -0.613 -4.480 1.00 0.00 H new ATOM 503 N ASP A 72 -7.170 2.239 -1.116 1.00 0.00 N ATOM 504 CA ASP A 72 -6.703 3.277 -0.204 1.00 0.00 C ATOM 505 C ASP A 72 -6.139 2.652 1.068 1.00 0.00 C ATOM 506 O ASP A 72 -6.890 2.217 1.941 1.00 0.00 O ATOM 507 CB ASP A 72 -7.858 4.214 0.155 1.00 0.00 C ATOM 508 CG ASP A 72 -7.362 5.323 1.076 1.00 0.00 C ATOM 509 OD1 ASP A 72 -6.213 5.261 1.480 1.00 0.00 O ATOM 510 OD2 ASP A 72 -8.139 6.218 1.367 1.00 0.00 O ATOM 0 H ASP A 72 -7.974 1.709 -0.779 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.915 3.845 -0.699 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.283 4.645 -0.752 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -8.654 3.653 0.644 1.00 0.00 H new ATOM 515 N ALA A 73 -4.814 2.605 1.167 1.00 0.00 N ATOM 516 CA ALA A 73 -4.169 2.027 2.340 1.00 0.00 C ATOM 517 C ALA A 73 -2.837 2.715 2.618 1.00 0.00 C ATOM 518 O ALA A 73 -2.168 3.190 1.699 1.00 0.00 O ATOM 519 CB ALA A 73 -3.941 0.531 2.122 1.00 0.00 C ATOM 0 H ALA A 73 -4.172 2.956 0.457 1.00 0.00 H new ATOM 0 HA ALA A 73 -4.822 2.174 3.200 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.459 0.104 3.002 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.899 0.037 1.958 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.303 0.383 1.251 1.00 0.00 H new ATOM 525 N SER A 74 -2.459 2.767 3.891 1.00 0.00 N ATOM 526 CA SER A 74 -1.206 3.401 4.287 1.00 0.00 C ATOM 527 C SER A 74 -0.018 2.463 4.076 1.00 0.00 C ATOM 528 O SER A 74 -0.185 1.256 3.903 1.00 0.00 O ATOM 529 CB SER A 74 -1.274 3.813 5.757 1.00 0.00 C ATOM 530 OG SER A 74 -1.289 2.648 6.571 1.00 0.00 O ATOM 0 H SER A 74 -3.000 2.379 4.664 1.00 0.00 H new ATOM 0 HA SER A 74 -1.063 4.282 3.662 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.418 4.437 6.012 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.168 4.409 5.939 1.00 0.00 H new ATOM 0 HG SER A 74 -1.331 2.909 7.515 1.00 0.00 H new ATOM 536 N LEU A 75 1.182 3.032 4.137 1.00 0.00 N ATOM 537 CA LEU A 75 2.406 2.246 4.000 1.00 0.00 C ATOM 538 C LEU A 75 2.656 1.447 5.268 1.00 0.00 C ATOM 539 O LEU A 75 3.213 0.349 5.228 1.00 0.00 O ATOM 540 CB LEU A 75 3.600 3.155 3.707 1.00 0.00 C ATOM 541 CG LEU A 75 3.616 3.501 2.216 1.00 0.00 C ATOM 542 CD1 LEU A 75 4.448 4.766 1.996 1.00 0.00 C ATOM 543 CD2 LEU A 75 4.243 2.352 1.413 1.00 0.00 C ATOM 0 H LEU A 75 1.334 4.030 4.280 1.00 0.00 H new ATOM 0 HA LEU A 75 2.284 1.557 3.164 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.534 4.065 4.303 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.528 2.657 3.987 1.00 0.00 H new ATOM 0 HG LEU A 75 2.591 3.662 1.881 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.460 5.013 0.935 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.009 5.592 2.556 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.468 4.595 2.340 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.249 2.609 0.354 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.266 2.187 1.752 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.660 1.443 1.562 1.00 0.00 H new ATOM 555 N ARG A 76 2.247 2.016 6.396 1.00 0.00 N ATOM 556 CA ARG A 76 2.439 1.360 7.679 1.00 0.00 C ATOM 557 C ARG A 76 1.723 0.017 7.690 1.00 0.00 C ATOM 558 O ARG A 76 2.256 -0.966 8.194 1.00 0.00 O ATOM 559 CB ARG A 76 1.899 2.244 8.805 1.00 0.00 C ATOM 560 CG ARG A 76 2.792 3.476 8.960 1.00 0.00 C ATOM 561 CD ARG A 76 2.179 4.426 9.990 1.00 0.00 C ATOM 562 NE ARG A 76 2.128 3.786 11.300 1.00 0.00 N ATOM 563 CZ ARG A 76 1.498 4.358 12.320 1.00 0.00 C ATOM 564 NH1 ARG A 76 1.466 3.764 13.482 1.00 0.00 N ATOM 565 NH2 ARG A 76 0.913 5.513 12.160 1.00 0.00 N ATOM 0 H ARG A 76 1.784 2.923 6.446 1.00 0.00 H new ATOM 0 HA ARG A 76 3.505 1.196 7.835 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.876 2.549 8.584 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.869 1.683 9.739 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.791 3.176 9.276 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.900 3.983 8.001 1.00 0.00 H new ATOM 0 HD2 ARG A 76 2.768 5.341 10.047 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.175 4.713 9.678 1.00 0.00 H new ATOM 0 HE ARG A 76 2.584 2.884 11.435 1.00 0.00 H new ATOM 0 HH11 ARG A 76 1.925 2.861 13.606 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.982 4.203 14.266 1.00 0.00 H new ATOM 0 HH21 ARG A 76 0.939 5.977 11.252 1.00 0.00 H new ATOM 0 HH22 ARG A 76 0.429 5.952 12.943 1.00 0.00 H new ATOM 579 N LYS A 77 0.527 -0.027 7.111 1.00 0.00 N ATOM 580 CA LYS A 77 -0.224 -1.274 7.048 1.00 0.00 C ATOM 581 C LYS A 77 0.367 -2.169 5.961 1.00 0.00 C ATOM 582 O LYS A 77 0.793 -3.294 6.221 1.00 0.00 O ATOM 583 CB LYS A 77 -1.690 -0.981 6.725 1.00 0.00 C ATOM 584 CG LYS A 77 -2.312 -0.158 7.857 1.00 0.00 C ATOM 585 CD LYS A 77 -3.775 0.140 7.525 1.00 0.00 C ATOM 586 CE LYS A 77 -4.396 0.970 8.652 1.00 0.00 C ATOM 587 NZ LYS A 77 -5.818 1.267 8.322 1.00 0.00 N ATOM 0 H LYS A 77 0.063 0.775 6.684 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.163 -1.779 8.012 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.763 -0.437 5.784 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.238 -1.914 6.597 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -2.245 -0.705 8.798 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.761 0.773 7.990 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.842 0.681 6.581 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -4.327 -0.791 7.398 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -4.336 0.426 9.595 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -3.840 1.898 8.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -6.241 1.831 9.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -5.863 1.802 7.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -6.344 0.376 8.217 1.00 0.00 H new ATOM 601 N LEU A 78 0.365 -1.647 4.740 1.00 0.00 N ATOM 602 CA LEU A 78 0.880 -2.386 3.589 1.00 0.00 C ATOM 603 C LEU A 78 2.125 -3.186 3.973 1.00 0.00 C ATOM 604 O LEU A 78 2.087 -4.416 4.002 1.00 0.00 O ATOM 605 CB LEU A 78 1.218 -1.415 2.454 1.00 0.00 C ATOM 606 CG LEU A 78 0.306 -1.672 1.250 1.00 0.00 C ATOM 607 CD1 LEU A 78 -1.157 -1.501 1.661 1.00 0.00 C ATOM 608 CD2 LEU A 78 0.638 -0.674 0.140 1.00 0.00 C ATOM 0 H LEU A 78 0.013 -0.715 4.520 1.00 0.00 H new ATOM 0 HA LEU A 78 0.110 -3.081 3.254 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.099 -0.387 2.797 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.261 -1.535 2.162 1.00 0.00 H new ATOM 0 HG LEU A 78 0.463 -2.689 0.891 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.801 -1.685 0.801 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.398 -2.210 2.453 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.317 -0.485 2.023 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.010 -0.855 -0.718 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.482 0.341 0.505 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.679 -0.796 -0.159 1.00 0.00 H new ATOM 620 N GLN A 79 3.230 -2.499 4.242 1.00 0.00 N ATOM 621 CA GLN A 79 4.473 -3.192 4.590 1.00 0.00 C ATOM 622 C GLN A 79 4.283 -4.093 5.812 1.00 0.00 C ATOM 623 O GLN A 79 4.794 -5.212 5.848 1.00 0.00 O ATOM 624 CB GLN A 79 5.570 -2.165 4.882 1.00 0.00 C ATOM 625 CG GLN A 79 6.897 -2.886 5.135 1.00 0.00 C ATOM 626 CD GLN A 79 8.011 -1.866 5.347 1.00 0.00 C ATOM 627 OE1 GLN A 79 7.789 -0.663 5.208 1.00 0.00 O ATOM 628 NE2 GLN A 79 9.205 -2.278 5.679 1.00 0.00 N ATOM 0 H GLN A 79 3.295 -1.481 4.228 1.00 0.00 H new ATOM 0 HA GLN A 79 4.761 -3.816 3.744 1.00 0.00 H new ATOM 0 HB2 GLN A 79 5.672 -1.479 4.041 1.00 0.00 H new ATOM 0 HB3 GLN A 79 5.299 -1.566 5.751 1.00 0.00 H new ATOM 0 HG2 GLN A 79 6.810 -3.529 6.011 1.00 0.00 H new ATOM 0 HG3 GLN A 79 7.138 -3.530 4.289 1.00 0.00 H new ATOM 0 HE21 GLN A 79 9.387 -3.275 5.794 1.00 0.00 H new ATOM 0 HE22 GLN A 79 9.956 -1.603 5.824 1.00 0.00 H new ATOM 637 N ALA A 80 3.553 -3.606 6.807 1.00 0.00 N ATOM 638 CA ALA A 80 3.311 -4.389 8.020 1.00 0.00 C ATOM 639 C ALA A 80 2.583 -5.689 7.688 1.00 0.00 C ATOM 640 O ALA A 80 2.828 -6.725 8.307 1.00 0.00 O ATOM 641 CB ALA A 80 2.483 -3.587 9.020 1.00 0.00 C ATOM 0 H ALA A 80 3.120 -2.682 6.803 1.00 0.00 H new ATOM 0 HA ALA A 80 4.279 -4.626 8.463 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.313 -4.186 9.915 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.019 -2.676 9.289 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.525 -3.325 8.572 1.00 0.00 H new ATOM 647 N ASP A 81 1.690 -5.628 6.707 1.00 0.00 N ATOM 648 CA ASP A 81 0.934 -6.808 6.300 1.00 0.00 C ATOM 649 C ASP A 81 1.726 -7.638 5.291 1.00 0.00 C ATOM 650 O ASP A 81 1.310 -8.731 4.909 1.00 0.00 O ATOM 651 CB ASP A 81 -0.406 -6.391 5.691 1.00 0.00 C ATOM 652 CG ASP A 81 -1.257 -5.679 6.737 1.00 0.00 C ATOM 653 OD1 ASP A 81 -1.170 -4.465 6.818 1.00 0.00 O ATOM 654 OD2 ASP A 81 -1.983 -6.359 7.445 1.00 0.00 O ATOM 0 H ASP A 81 1.472 -4.781 6.182 1.00 0.00 H new ATOM 0 HA ASP A 81 0.752 -7.418 7.185 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -0.238 -5.733 4.838 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -0.934 -7.269 5.317 1.00 0.00 H new ATOM 659 N GLY A 82 2.875 -7.112 4.873 1.00 0.00 N ATOM 660 CA GLY A 82 3.726 -7.818 3.918 1.00 0.00 C ATOM 661 C GLY A 82 3.153 -7.751 2.506 1.00 0.00 C ATOM 662 O GLY A 82 3.556 -8.511 1.627 1.00 0.00 O ATOM 0 H GLY A 82 3.236 -6.208 5.177 1.00 0.00 H new ATOM 0 HA2 GLY A 82 4.725 -7.383 3.928 1.00 0.00 H new ATOM 0 HA3 GLY A 82 3.829 -8.860 4.221 1.00 0.00 H new ATOM 666 N ARG A 83 2.212 -6.838 2.294 1.00 0.00 N ATOM 667 CA ARG A 83 1.594 -6.682 0.982 1.00 0.00 C ATOM 668 C ARG A 83 2.587 -6.116 -0.029 1.00 0.00 C ATOM 669 O ARG A 83 2.410 -6.281 -1.237 1.00 0.00 O ATOM 670 CB ARG A 83 0.369 -5.771 1.082 1.00 0.00 C ATOM 671 CG ARG A 83 -0.745 -6.502 1.833 1.00 0.00 C ATOM 672 CD ARG A 83 -1.943 -5.569 2.007 1.00 0.00 C ATOM 673 NE ARG A 83 -2.478 -5.188 0.704 1.00 0.00 N ATOM 674 CZ ARG A 83 -3.305 -5.989 0.039 1.00 0.00 C ATOM 675 NH1 ARG A 83 -3.769 -5.626 -1.125 1.00 0.00 N ATOM 676 NH2 ARG A 83 -3.652 -7.138 0.551 1.00 0.00 N ATOM 0 H ARG A 83 1.862 -6.199 3.008 1.00 0.00 H new ATOM 0 HA ARG A 83 1.280 -7.667 0.636 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.629 -4.849 1.602 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.028 -5.490 0.085 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -1.043 -7.395 1.283 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.384 -6.833 2.807 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -2.716 -6.064 2.595 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.643 -4.679 2.559 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.213 -4.291 0.296 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -3.497 -4.728 -1.525 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -4.403 -6.240 -1.635 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.289 -7.421 1.461 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -4.286 -7.753 0.041 1.00 0.00 H new ATOM 690 N ILE A 84 3.630 -5.457 0.469 1.00 0.00 N ATOM 691 CA ILE A 84 4.649 -4.875 -0.404 1.00 0.00 C ATOM 692 C ILE A 84 6.040 -5.360 -0.015 1.00 0.00 C ATOM 693 O ILE A 84 6.264 -5.806 1.110 1.00 0.00 O ATOM 694 CB ILE A 84 4.591 -3.347 -0.339 1.00 0.00 C ATOM 695 CG1 ILE A 84 4.788 -2.871 1.108 1.00 0.00 C ATOM 696 CG2 ILE A 84 3.231 -2.879 -0.847 1.00 0.00 C ATOM 697 CD1 ILE A 84 4.980 -1.352 1.130 1.00 0.00 C ATOM 0 H ILE A 84 3.793 -5.312 1.466 1.00 0.00 H new ATOM 0 HA ILE A 84 4.445 -5.197 -1.425 1.00 0.00 H new ATOM 0 HB ILE A 84 5.385 -2.930 -0.959 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.924 -3.147 1.713 1.00 0.00 H new ATOM 0 HG13 ILE A 84 5.655 -3.363 1.548 1.00 0.00 H new ATOM 0 HG21 ILE A 84 3.181 -1.791 -0.804 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.094 -3.208 -1.877 1.00 0.00 H new ATOM 0 HG23 ILE A 84 2.444 -3.303 -0.223 1.00 0.00 H new ATOM 0 HD11 ILE A 84 5.119 -1.018 2.158 1.00 0.00 H new ATOM 0 HD12 ILE A 84 5.858 -1.088 0.540 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.100 -0.868 0.707 1.00 0.00 H new ATOM 709 N THR A 85 6.971 -5.273 -0.957 1.00 0.00 N ATOM 710 CA THR A 85 8.337 -5.709 -0.709 1.00 0.00 C ATOM 711 C THR A 85 9.069 -4.713 0.187 1.00 0.00 C ATOM 712 O THR A 85 8.845 -3.506 0.100 1.00 0.00 O ATOM 713 CB THR A 85 9.089 -5.857 -2.033 1.00 0.00 C ATOM 714 OG1 THR A 85 10.390 -6.372 -1.783 1.00 0.00 O ATOM 715 CG2 THR A 85 9.200 -4.492 -2.715 1.00 0.00 C ATOM 0 H THR A 85 6.805 -4.906 -1.894 1.00 0.00 H new ATOM 0 HA THR A 85 8.301 -6.674 -0.203 1.00 0.00 H new ATOM 0 HB THR A 85 8.546 -6.542 -2.684 1.00 0.00 H new ATOM 0 HG1 THR A 85 10.872 -6.469 -2.631 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.736 -4.599 -3.658 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.202 -4.099 -2.908 1.00 0.00 H new ATOM 0 HG23 THR A 85 9.742 -3.804 -2.066 1.00 0.00 H new ATOM 723 N GLU A 86 9.954 -5.228 1.034 1.00 0.00 N ATOM 724 CA GLU A 86 10.728 -4.371 1.927 1.00 0.00 C ATOM 725 C GLU A 86 11.986 -3.865 1.227 1.00 0.00 C ATOM 726 O GLU A 86 12.587 -2.874 1.640 1.00 0.00 O ATOM 727 CB GLU A 86 11.109 -5.143 3.196 1.00 0.00 C ATOM 728 CG GLU A 86 12.056 -6.294 2.845 1.00 0.00 C ATOM 729 CD GLU A 86 12.337 -7.132 4.089 1.00 0.00 C ATOM 730 OE1 GLU A 86 11.800 -6.801 5.134 1.00 0.00 O ATOM 731 OE2 GLU A 86 13.083 -8.091 3.978 1.00 0.00 O ATOM 0 H GLU A 86 10.153 -6.225 1.121 1.00 0.00 H new ATOM 0 HA GLU A 86 10.114 -3.513 2.202 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.588 -4.472 3.910 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.212 -5.533 3.677 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.613 -6.917 2.068 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.989 -5.899 2.443 1.00 0.00 H new ATOM 738 N GLU A 87 12.386 -4.570 0.172 1.00 0.00 N ATOM 739 CA GLU A 87 13.585 -4.206 -0.575 1.00 0.00 C ATOM 740 C GLU A 87 13.453 -2.818 -1.194 1.00 0.00 C ATOM 741 O GLU A 87 14.409 -2.047 -1.206 1.00 0.00 O ATOM 742 CB GLU A 87 13.845 -5.233 -1.677 1.00 0.00 C ATOM 743 CG GLU A 87 14.290 -6.555 -1.048 1.00 0.00 C ATOM 744 CD GLU A 87 14.386 -7.636 -2.118 1.00 0.00 C ATOM 745 OE1 GLU A 87 13.906 -7.402 -3.215 1.00 0.00 O ATOM 746 OE2 GLU A 87 14.937 -8.686 -1.825 1.00 0.00 O ATOM 0 H GLU A 87 11.899 -5.393 -0.183 1.00 0.00 H new ATOM 0 HA GLU A 87 14.423 -4.193 0.122 1.00 0.00 H new ATOM 0 HB2 GLU A 87 12.942 -5.385 -2.268 1.00 0.00 H new ATOM 0 HB3 GLU A 87 14.613 -4.865 -2.358 1.00 0.00 H new ATOM 0 HG2 GLU A 87 15.256 -6.428 -0.560 1.00 0.00 H new ATOM 0 HG3 GLU A 87 13.581 -6.857 -0.277 1.00 0.00 H new ATOM 753 N GLN A 88 12.271 -2.505 -1.710 1.00 0.00 N ATOM 754 CA GLN A 88 12.048 -1.201 -2.328 1.00 0.00 C ATOM 755 C GLN A 88 12.231 -0.086 -1.301 1.00 0.00 C ATOM 756 O GLN A 88 12.830 0.950 -1.591 1.00 0.00 O ATOM 757 CB GLN A 88 10.635 -1.137 -2.913 1.00 0.00 C ATOM 758 CG GLN A 88 10.434 0.202 -3.628 1.00 0.00 C ATOM 759 CD GLN A 88 9.067 0.233 -4.302 1.00 0.00 C ATOM 760 OE1 GLN A 88 8.125 -0.399 -3.825 1.00 0.00 O ATOM 761 NE2 GLN A 88 8.901 0.933 -5.390 1.00 0.00 N ATOM 0 H GLN A 88 11.461 -3.125 -1.714 1.00 0.00 H new ATOM 0 HA GLN A 88 12.777 -1.065 -3.127 1.00 0.00 H new ATOM 0 HB2 GLN A 88 10.482 -1.960 -3.611 1.00 0.00 H new ATOM 0 HB3 GLN A 88 9.897 -1.251 -2.119 1.00 0.00 H new ATOM 0 HG2 GLN A 88 10.515 1.021 -2.913 1.00 0.00 H new ATOM 0 HG3 GLN A 88 11.218 0.348 -4.371 1.00 0.00 H new ATOM 0 HE21 GLN A 88 9.683 1.456 -5.784 1.00 0.00 H new ATOM 0 HE22 GLN A 88 7.989 0.957 -5.847 1.00 0.00 H new ATOM 770 N ALA A 89 11.708 -0.310 -0.100 1.00 0.00 N ATOM 771 CA ALA A 89 11.810 0.676 0.973 1.00 0.00 C ATOM 772 C ALA A 89 13.267 0.934 1.354 1.00 0.00 C ATOM 773 O ALA A 89 13.652 2.071 1.629 1.00 0.00 O ATOM 774 CB ALA A 89 11.041 0.185 2.200 1.00 0.00 C ATOM 0 H ALA A 89 11.210 -1.163 0.156 1.00 0.00 H new ATOM 0 HA ALA A 89 11.380 1.611 0.614 1.00 0.00 H new ATOM 0 HB1 ALA A 89 11.120 0.923 2.998 1.00 0.00 H new ATOM 0 HB2 ALA A 89 9.992 0.043 1.939 1.00 0.00 H new ATOM 0 HB3 ALA A 89 11.462 -0.762 2.539 1.00 0.00 H new ATOM 780 N LYS A 90 14.070 -0.125 1.370 1.00 0.00 N ATOM 781 CA LYS A 90 15.481 -0.001 1.720 1.00 0.00 C ATOM 782 C LYS A 90 16.289 0.550 0.549 1.00 0.00 C ATOM 783 O LYS A 90 17.311 1.209 0.740 1.00 0.00 O ATOM 784 CB LYS A 90 16.037 -1.366 2.129 1.00 0.00 C ATOM 785 CG LYS A 90 15.933 -1.529 3.646 1.00 0.00 C ATOM 786 CD LYS A 90 14.477 -1.357 4.084 1.00 0.00 C ATOM 787 CE LYS A 90 14.252 -2.096 5.404 1.00 0.00 C ATOM 788 NZ LYS A 90 14.488 -3.553 5.205 1.00 0.00 N ATOM 0 H LYS A 90 13.770 -1.074 1.146 1.00 0.00 H new ATOM 0 HA LYS A 90 15.564 0.694 2.555 1.00 0.00 H new ATOM 0 HB2 LYS A 90 15.483 -2.160 1.629 1.00 0.00 H new ATOM 0 HB3 LYS A 90 17.077 -1.456 1.814 1.00 0.00 H new ATOM 0 HG2 LYS A 90 16.298 -2.513 3.942 1.00 0.00 H new ATOM 0 HG3 LYS A 90 16.562 -0.792 4.145 1.00 0.00 H new ATOM 0 HD2 LYS A 90 14.244 -0.299 4.203 1.00 0.00 H new ATOM 0 HD3 LYS A 90 13.807 -1.747 3.318 1.00 0.00 H new ATOM 0 HE2 LYS A 90 14.925 -1.709 6.169 1.00 0.00 H new ATOM 0 HE3 LYS A 90 13.235 -1.927 5.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 13.915 -4.093 5.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 14.219 -3.819 4.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 15.495 -3.765 5.355 1.00 0.00 H new ATOM 802 N ALA A 91 15.854 0.226 -0.664 1.00 0.00 N ATOM 803 CA ALA A 91 16.577 0.642 -1.860 1.00 0.00 C ATOM 804 C ALA A 91 16.778 2.152 -1.896 1.00 0.00 C ATOM 805 O ALA A 91 17.856 2.619 -2.267 1.00 0.00 O ATOM 806 CB ALA A 91 15.808 0.204 -3.109 1.00 0.00 C ATOM 0 H ALA A 91 15.011 -0.319 -0.844 1.00 0.00 H new ATOM 0 HA ALA A 91 17.558 0.167 -1.838 1.00 0.00 H new ATOM 0 HB1 ALA A 91 16.352 0.517 -4.000 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.704 -0.881 -3.110 1.00 0.00 H new ATOM 0 HB3 ALA A 91 14.820 0.663 -3.107 1.00 0.00 H new ATOM 812 N TYR A 92 15.768 2.925 -1.513 1.00 0.00 N ATOM 813 CA TYR A 92 15.904 4.374 -1.521 1.00 0.00 C ATOM 814 C TYR A 92 17.054 4.812 -0.620 1.00 0.00 C ATOM 815 O TYR A 92 17.883 5.631 -1.016 1.00 0.00 O ATOM 816 CB TYR A 92 14.604 5.022 -1.040 1.00 0.00 C ATOM 817 CG TYR A 92 14.792 6.518 -0.941 1.00 0.00 C ATOM 818 CD1 TYR A 92 14.764 7.306 -2.097 1.00 0.00 C ATOM 819 CD2 TYR A 92 14.995 7.115 0.308 1.00 0.00 C ATOM 820 CE1 TYR A 92 14.938 8.693 -2.004 1.00 0.00 C ATOM 821 CE2 TYR A 92 15.169 8.501 0.403 1.00 0.00 C ATOM 822 CZ TYR A 92 15.140 9.290 -0.754 1.00 0.00 C ATOM 823 OH TYR A 92 15.311 10.655 -0.662 1.00 0.00 O ATOM 0 H TYR A 92 14.861 2.579 -1.198 1.00 0.00 H new ATOM 0 HA TYR A 92 16.116 4.693 -2.541 1.00 0.00 H new ATOM 0 HB2 TYR A 92 13.793 4.792 -1.731 1.00 0.00 H new ATOM 0 HB3 TYR A 92 14.320 4.616 -0.069 1.00 0.00 H new ATOM 0 HD1 TYR A 92 14.608 6.845 -3.061 1.00 0.00 H new ATOM 0 HD2 TYR A 92 15.017 6.506 1.200 1.00 0.00 H new ATOM 0 HE1 TYR A 92 14.916 9.301 -2.896 1.00 0.00 H new ATOM 0 HE2 TYR A 92 15.325 8.961 1.367 1.00 0.00 H new ATOM 0 HH TYR A 92 15.438 10.906 0.277 1.00 0.00 H new ATOM 833 N LYS A 93 17.098 4.275 0.595 1.00 0.00 N ATOM 834 CA LYS A 93 18.157 4.640 1.530 1.00 0.00 C ATOM 835 C LYS A 93 19.524 4.335 0.935 1.00 0.00 C ATOM 836 O LYS A 93 20.389 5.209 0.885 1.00 0.00 O ATOM 837 CB LYS A 93 17.980 3.861 2.835 1.00 0.00 C ATOM 838 CG LYS A 93 17.095 4.662 3.794 1.00 0.00 C ATOM 839 CD LYS A 93 17.965 5.588 4.653 1.00 0.00 C ATOM 840 CE LYS A 93 18.468 4.828 5.886 1.00 0.00 C ATOM 841 NZ LYS A 93 19.293 5.740 6.728 1.00 0.00 N ATOM 0 H LYS A 93 16.425 3.597 0.952 1.00 0.00 H new ATOM 0 HA LYS A 93 18.094 5.710 1.729 1.00 0.00 H new ATOM 0 HB2 LYS A 93 17.528 2.890 2.632 1.00 0.00 H new ATOM 0 HB3 LYS A 93 18.951 3.672 3.292 1.00 0.00 H new ATOM 0 HG2 LYS A 93 16.370 5.249 3.230 1.00 0.00 H new ATOM 0 HG3 LYS A 93 16.529 3.984 4.433 1.00 0.00 H new ATOM 0 HD2 LYS A 93 18.810 5.954 4.069 1.00 0.00 H new ATOM 0 HD3 LYS A 93 17.389 6.461 4.962 1.00 0.00 H new ATOM 0 HE2 LYS A 93 17.624 4.448 6.462 1.00 0.00 H new ATOM 0 HE3 LYS A 93 19.059 3.965 5.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 19.635 5.226 7.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 20.105 6.082 6.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 18.715 6.550 7.032 1.00 0.00 H new ATOM 855 N GLU A 94 19.730 3.096 0.500 1.00 0.00 N ATOM 856 CA GLU A 94 21.011 2.706 -0.066 1.00 0.00 C ATOM 857 C GLU A 94 21.357 3.594 -1.251 1.00 0.00 C ATOM 858 O GLU A 94 22.519 3.950 -1.446 1.00 0.00 O ATOM 859 CB GLU A 94 20.954 1.237 -0.508 1.00 0.00 C ATOM 860 CG GLU A 94 22.317 0.790 -1.050 1.00 0.00 C ATOM 861 CD GLU A 94 23.369 0.863 0.054 1.00 0.00 C ATOM 862 OE1 GLU A 94 22.984 0.862 1.211 1.00 0.00 O ATOM 863 OE2 GLU A 94 24.541 0.920 -0.277 1.00 0.00 O ATOM 0 H GLU A 94 19.032 2.353 0.529 1.00 0.00 H new ATOM 0 HA GLU A 94 21.784 2.823 0.693 1.00 0.00 H new ATOM 0 HB2 GLU A 94 20.666 0.608 0.334 1.00 0.00 H new ATOM 0 HB3 GLU A 94 20.191 1.111 -1.276 1.00 0.00 H new ATOM 0 HG2 GLU A 94 22.249 -0.229 -1.432 1.00 0.00 H new ATOM 0 HG3 GLU A 94 22.611 1.425 -1.886 1.00 0.00 H new ATOM 870 N TYR A 95 20.356 3.959 -2.042 1.00 0.00 N ATOM 871 CA TYR A 95 20.612 4.812 -3.188 1.00 0.00 C ATOM 872 C TYR A 95 21.250 6.112 -2.709 1.00 0.00 C ATOM 873 O TYR A 95 22.282 6.534 -3.233 1.00 0.00 O ATOM 874 CB TYR A 95 19.305 5.110 -3.928 1.00 0.00 C ATOM 875 CG TYR A 95 19.581 6.037 -5.086 1.00 0.00 C ATOM 876 CD1 TYR A 95 20.148 5.533 -6.263 1.00 0.00 C ATOM 877 CD2 TYR A 95 19.268 7.398 -4.985 1.00 0.00 C ATOM 878 CE1 TYR A 95 20.402 6.390 -7.340 1.00 0.00 C ATOM 879 CE2 TYR A 95 19.524 8.255 -6.062 1.00 0.00 C ATOM 880 CZ TYR A 95 20.090 7.753 -7.240 1.00 0.00 C ATOM 881 OH TYR A 95 20.341 8.596 -8.301 1.00 0.00 O ATOM 0 H TYR A 95 19.382 3.684 -1.914 1.00 0.00 H new ATOM 0 HA TYR A 95 21.289 4.304 -3.875 1.00 0.00 H new ATOM 0 HB2 TYR A 95 18.860 4.183 -4.289 1.00 0.00 H new ATOM 0 HB3 TYR A 95 18.585 5.565 -3.248 1.00 0.00 H new ATOM 0 HD1 TYR A 95 20.389 4.483 -6.340 1.00 0.00 H new ATOM 0 HD2 TYR A 95 18.830 7.786 -4.077 1.00 0.00 H new ATOM 0 HE1 TYR A 95 20.838 6.001 -8.248 1.00 0.00 H new ATOM 0 HE2 TYR A 95 19.284 9.305 -5.984 1.00 0.00 H new ATOM 0 HH TYR A 95 20.065 9.507 -8.067 1.00 0.00 H new ATOM 891 N ASN A 96 20.645 6.737 -1.699 1.00 0.00 N ATOM 892 CA ASN A 96 21.180 7.979 -1.153 1.00 0.00 C ATOM 893 C ASN A 96 22.577 7.745 -0.577 1.00 0.00 C ATOM 894 O ASN A 96 23.460 8.597 -0.690 1.00 0.00 O ATOM 895 CB ASN A 96 20.254 8.510 -0.057 1.00 0.00 C ATOM 896 CG ASN A 96 20.650 9.932 0.321 1.00 0.00 C ATOM 897 OD1 ASN A 96 21.085 10.703 -0.532 1.00 0.00 O ATOM 898 ND2 ASN A 96 20.522 10.326 1.558 1.00 0.00 N ATOM 0 H ASN A 96 19.792 6.406 -1.248 1.00 0.00 H new ATOM 0 HA ASN A 96 21.245 8.713 -1.956 1.00 0.00 H new ATOM 0 HB2 ASN A 96 19.221 8.492 -0.403 1.00 0.00 H new ATOM 0 HB3 ASN A 96 20.308 7.864 0.819 1.00 0.00 H new ATOM 0 HD21 ASN A 96 20.783 11.277 1.820 1.00 0.00 H new ATOM 0 HD22 ASN A 96 20.161 9.684 2.263 1.00 0.00 H new ATOM 905 N ASP A 97 22.758 6.587 0.049 1.00 0.00 N ATOM 906 CA ASP A 97 24.042 6.245 0.655 1.00 0.00 C ATOM 907 C ASP A 97 25.152 6.299 -0.391 1.00 0.00 C ATOM 908 O ASP A 97 26.251 6.780 -0.118 1.00 0.00 O ATOM 909 CB ASP A 97 23.982 4.845 1.272 1.00 0.00 C ATOM 910 CG ASP A 97 25.293 4.536 1.989 1.00 0.00 C ATOM 911 OD1 ASP A 97 26.214 5.326 1.864 1.00 0.00 O ATOM 912 OD2 ASP A 97 25.358 3.512 2.649 1.00 0.00 O ATOM 0 H ASP A 97 22.037 5.872 0.150 1.00 0.00 H new ATOM 0 HA ASP A 97 24.257 6.970 1.440 1.00 0.00 H new ATOM 0 HB2 ASP A 97 23.150 4.783 1.974 1.00 0.00 H new ATOM 0 HB3 ASP A 97 23.799 4.103 0.495 1.00 0.00 H new ATOM 917 N LYS A 98 24.853 5.820 -1.595 1.00 0.00 N ATOM 918 CA LYS A 98 25.831 5.840 -2.678 1.00 0.00 C ATOM 919 C LYS A 98 26.227 7.278 -2.998 1.00 0.00 C ATOM 920 O LYS A 98 27.384 7.565 -3.304 1.00 0.00 O ATOM 921 CB LYS A 98 25.251 5.177 -3.929 1.00 0.00 C ATOM 922 CG LYS A 98 25.117 3.671 -3.699 1.00 0.00 C ATOM 923 CD LYS A 98 24.539 3.014 -4.955 1.00 0.00 C ATOM 924 CE LYS A 98 24.421 1.505 -4.734 1.00 0.00 C ATOM 925 NZ LYS A 98 23.854 0.867 -5.956 1.00 0.00 N ATOM 0 H LYS A 98 23.950 5.417 -1.844 1.00 0.00 H new ATOM 0 HA LYS A 98 26.714 5.286 -2.359 1.00 0.00 H new ATOM 0 HB2 LYS A 98 24.277 5.607 -4.162 1.00 0.00 H new ATOM 0 HB3 LYS A 98 25.897 5.368 -4.786 1.00 0.00 H new ATOM 0 HG2 LYS A 98 26.090 3.240 -3.465 1.00 0.00 H new ATOM 0 HG3 LYS A 98 24.469 3.479 -2.844 1.00 0.00 H new ATOM 0 HD2 LYS A 98 23.560 3.437 -5.182 1.00 0.00 H new ATOM 0 HD3 LYS A 98 25.180 3.218 -5.813 1.00 0.00 H new ATOM 0 HE2 LYS A 98 25.400 1.082 -4.511 1.00 0.00 H new ATOM 0 HE3 LYS A 98 23.782 1.301 -3.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 23.773 -0.159 -5.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 22.912 1.264 -6.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 24.480 1.051 -6.766 1.00 0.00 H new ATOM 939 N ASN A 99 25.249 8.174 -2.924 1.00 0.00 N ATOM 940 CA ASN A 99 25.476 9.588 -3.202 1.00 0.00 C ATOM 941 C ASN A 99 25.715 10.344 -1.899 1.00 0.00 C ATOM 942 O ASN A 99 25.550 11.562 -1.835 1.00 0.00 O ATOM 943 CB ASN A 99 24.264 10.180 -3.924 1.00 0.00 C ATOM 944 CG ASN A 99 24.179 9.628 -5.343 1.00 0.00 C ATOM 945 OD1 ASN A 99 25.174 9.148 -5.886 1.00 0.00 O ATOM 946 ND2 ASN A 99 23.040 9.667 -5.981 1.00 0.00 N ATOM 0 H ASN A 99 24.287 7.945 -2.673 1.00 0.00 H new ATOM 0 HA ASN A 99 26.355 9.684 -3.839 1.00 0.00 H new ATOM 0 HB2 ASN A 99 23.352 9.940 -3.377 1.00 0.00 H new ATOM 0 HB3 ASN A 99 24.343 11.267 -3.952 1.00 0.00 H new ATOM 0 HD21 ASN A 99 22.974 9.299 -6.930 1.00 0.00 H new ATOM 0 HD22 ASN A 99 22.216 10.065 -5.530 1.00 0.00 H new ATOM 953 N GLY A 100 26.113 9.607 -0.867 1.00 0.00 N ATOM 954 CA GLY A 100 26.385 10.211 0.433 1.00 0.00 C ATOM 955 C GLY A 100 27.868 10.540 0.572 1.00 0.00 C ATOM 956 O GLY A 100 28.725 9.671 0.413 1.00 0.00 O ATOM 0 H GLY A 100 26.254 8.597 -0.904 1.00 0.00 H new ATOM 0 HA2 GLY A 100 25.793 11.119 0.549 1.00 0.00 H new ATOM 0 HA3 GLY A 100 26.082 9.529 1.228 1.00 0.00 H new ATOM 960 N GLY A 101 28.163 11.803 0.868 1.00 0.00 N ATOM 961 CA GLY A 101 29.547 12.241 1.021 1.00 0.00 C ATOM 962 C GLY A 101 30.150 11.743 2.330 1.00 0.00 C ATOM 963 O GLY A 101 31.365 11.790 2.521 1.00 0.00 O ATOM 0 H GLY A 101 27.468 12.536 1.006 1.00 0.00 H new ATOM 0 HA2 GLY A 101 30.140 11.874 0.183 1.00 0.00 H new ATOM 0 HA3 GLY A 101 29.591 13.330 0.990 1.00 0.00 H new ATOM 967 N ALA A 102 29.297 11.278 3.237 1.00 0.00 N ATOM 968 CA ALA A 102 29.764 10.789 4.530 1.00 0.00 C ATOM 969 C ALA A 102 30.712 9.606 4.360 1.00 0.00 C ATOM 970 O ALA A 102 31.716 9.500 5.064 1.00 0.00 O ATOM 971 CB ALA A 102 28.571 10.366 5.389 1.00 0.00 C ATOM 0 H ALA A 102 28.287 11.229 3.103 1.00 0.00 H new ATOM 0 HA ALA A 102 30.304 11.598 5.022 1.00 0.00 H new ATOM 0 HB1 ALA A 102 28.927 10.002 6.353 1.00 0.00 H new ATOM 0 HB2 ALA A 102 27.913 11.221 5.545 1.00 0.00 H new ATOM 0 HB3 ALA A 102 28.021 9.573 4.883 1.00 0.00 H new ATOM 977 N ASN A 103 30.389 8.717 3.428 1.00 0.00 N ATOM 978 CA ASN A 103 31.226 7.548 3.186 1.00 0.00 C ATOM 979 C ASN A 103 32.205 7.801 2.043 1.00 0.00 C ATOM 980 O ASN A 103 31.816 7.816 0.875 1.00 0.00 O ATOM 981 CB ASN A 103 30.348 6.340 2.847 1.00 0.00 C ATOM 982 CG ASN A 103 31.216 5.100 2.661 1.00 0.00 C ATOM 983 OD1 ASN A 103 32.443 5.199 2.635 1.00 0.00 O ATOM 984 ND2 ASN A 103 30.649 3.933 2.529 1.00 0.00 N ATOM 0 H ASN A 103 29.563 8.781 2.833 1.00 0.00 H new ATOM 0 HA ASN A 103 31.796 7.347 4.093 1.00 0.00 H new ATOM 0 HB2 ASN A 103 29.624 6.171 3.644 1.00 0.00 H new ATOM 0 HB3 ASN A 103 29.780 6.536 1.937 1.00 0.00 H new ATOM 0 HD21 ASN A 103 31.222 3.099 2.404 1.00 0.00 H new ATOM 0 HD22 ASN A 103 29.632 3.855 2.551 1.00 0.00 H new ATOM 991 N ARG A 104 33.467 8.043 2.388 1.00 0.00 N ATOM 992 CA ARG A 104 34.478 8.342 1.380 1.00 0.00 C ATOM 993 C ARG A 104 34.524 7.258 0.311 1.00 0.00 C ATOM 994 O ARG A 104 34.607 7.562 -0.879 1.00 0.00 O ATOM 995 CB ARG A 104 35.854 8.444 2.047 1.00 0.00 C ATOM 996 CG ARG A 104 36.002 9.788 2.767 1.00 0.00 C ATOM 997 CD ARG A 104 36.505 10.853 1.788 1.00 0.00 C ATOM 998 NE ARG A 104 37.804 10.461 1.249 1.00 0.00 N ATOM 999 CZ ARG A 104 38.926 10.679 1.930 1.00 0.00 C ATOM 1000 NH1 ARG A 104 40.073 10.308 1.431 1.00 0.00 N ATOM 1001 NH2 ARG A 104 38.877 11.263 3.096 1.00 0.00 N ATOM 0 H ARG A 104 33.811 8.038 3.348 1.00 0.00 H new ATOM 0 HA ARG A 104 34.216 9.289 0.907 1.00 0.00 H new ATOM 0 HB2 ARG A 104 35.982 7.628 2.758 1.00 0.00 H new ATOM 0 HB3 ARG A 104 36.637 8.338 1.296 1.00 0.00 H new ATOM 0 HG2 ARG A 104 35.044 10.092 3.188 1.00 0.00 H new ATOM 0 HG3 ARG A 104 36.699 9.689 3.600 1.00 0.00 H new ATOM 0 HD2 ARG A 104 35.789 10.980 0.976 1.00 0.00 H new ATOM 0 HD3 ARG A 104 36.587 11.815 2.294 1.00 0.00 H new ATOM 0 HE ARG A 104 37.852 10.012 0.334 1.00 0.00 H new ATOM 0 HH11 ARG A 104 40.109 9.851 0.520 1.00 0.00 H new ATOM 0 HH12 ARG A 104 40.934 10.475 1.952 1.00 0.00 H new ATOM 0 HH21 ARG A 104 37.979 11.552 3.484 1.00 0.00 H new ATOM 0 HH22 ARG A 104 39.737 11.431 3.619 1.00 0.00 H new ATOM 1015 N LYS A 105 34.464 6.001 0.722 1.00 0.00 N ATOM 1016 CA LYS A 105 34.496 4.907 -0.238 1.00 0.00 C ATOM 1017 C LYS A 105 33.222 4.906 -1.077 1.00 0.00 C ATOM 1018 O LYS A 105 32.144 5.238 -0.582 1.00 0.00 O ATOM 1019 CB LYS A 105 34.625 3.581 0.506 1.00 0.00 C ATOM 1020 CG LYS A 105 35.962 3.554 1.244 1.00 0.00 C ATOM 1021 CD LYS A 105 36.087 2.251 2.030 1.00 0.00 C ATOM 1022 CE LYS A 105 37.391 2.263 2.824 1.00 0.00 C ATOM 1023 NZ LYS A 105 38.548 2.288 1.884 1.00 0.00 N ATOM 0 H LYS A 105 34.394 5.715 1.698 1.00 0.00 H new ATOM 0 HA LYS A 105 35.352 5.038 -0.900 1.00 0.00 H new ATOM 0 HB2 LYS A 105 33.803 3.464 1.212 1.00 0.00 H new ATOM 0 HB3 LYS A 105 34.565 2.748 -0.195 1.00 0.00 H new ATOM 0 HG2 LYS A 105 36.783 3.642 0.533 1.00 0.00 H new ATOM 0 HG3 LYS A 105 36.033 4.406 1.920 1.00 0.00 H new ATOM 0 HD2 LYS A 105 35.238 2.137 2.704 1.00 0.00 H new ATOM 0 HD3 LYS A 105 36.070 1.400 1.350 1.00 0.00 H new ATOM 0 HE2 LYS A 105 37.422 3.134 3.478 1.00 0.00 H new ATOM 0 HE3 LYS A 105 37.448 1.382 3.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 39.410 1.993 2.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 38.367 1.636 1.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 38.675 3.252 1.515 1.00 0.00 H new ATOM 1037 N VAL A 106 33.355 4.544 -2.350 1.00 0.00 N ATOM 1038 CA VAL A 106 32.212 4.517 -3.256 1.00 0.00 C ATOM 1039 C VAL A 106 32.095 3.159 -3.941 1.00 0.00 C ATOM 1040 O VAL A 106 33.054 2.389 -3.984 1.00 0.00 O ATOM 1041 CB VAL A 106 32.362 5.611 -4.317 1.00 0.00 C ATOM 1042 CG1 VAL A 106 32.413 6.979 -3.636 1.00 0.00 C ATOM 1043 CG2 VAL A 106 33.656 5.385 -5.102 1.00 0.00 C ATOM 0 H VAL A 106 34.239 4.266 -2.776 1.00 0.00 H new ATOM 0 HA VAL A 106 31.309 4.694 -2.672 1.00 0.00 H new ATOM 0 HB VAL A 106 31.512 5.575 -4.998 1.00 0.00 H new ATOM 0 HG11 VAL A 106 32.520 7.758 -4.391 1.00 0.00 H new ATOM 0 HG12 VAL A 106 31.492 7.141 -3.075 1.00 0.00 H new ATOM 0 HG13 VAL A 106 33.263 7.015 -2.955 1.00 0.00 H new ATOM 0 HG21 VAL A 106 33.764 6.163 -5.858 1.00 0.00 H new ATOM 0 HG22 VAL A 106 34.506 5.421 -4.421 1.00 0.00 H new ATOM 0 HG23 VAL A 106 33.621 4.410 -5.588 1.00 0.00 H new ATOM 1053 N ASN A 107 30.911 2.874 -4.474 1.00 0.00 N ATOM 1054 CA ASN A 107 30.672 1.607 -5.154 1.00 0.00 C ATOM 1055 C ASN A 107 31.240 0.449 -4.341 1.00 0.00 C ATOM 1056 O ASN A 107 31.070 0.391 -3.123 1.00 0.00 O ATOM 1057 CB ASN A 107 31.319 1.629 -6.540 1.00 0.00 C ATOM 1058 CG ASN A 107 30.669 0.577 -7.433 1.00 0.00 C ATOM 1059 OD1 ASN A 107 29.466 0.334 -7.333 1.00 0.00 O ATOM 1060 ND2 ASN A 107 31.396 -0.064 -8.308 1.00 0.00 N ATOM 0 H ASN A 107 30.106 3.500 -4.448 1.00 0.00 H new ATOM 0 HA ASN A 107 29.596 1.468 -5.259 1.00 0.00 H new ATOM 0 HB2 ASN A 107 31.208 2.617 -6.987 1.00 0.00 H new ATOM 0 HB3 ASN A 107 32.388 1.436 -6.455 1.00 0.00 H new ATOM 0 HD21 ASN A 107 30.968 -0.767 -8.910 1.00 0.00 H new ATOM 0 HD22 ASN A 107 32.392 0.138 -8.390 1.00 0.00 H new ATOM 1067 N ASP A 108 31.914 -0.471 -5.020 1.00 0.00 N ATOM 1068 CA ASP A 108 32.503 -1.624 -4.348 1.00 0.00 C ATOM 1069 C ASP A 108 33.997 -1.410 -4.127 1.00 0.00 C ATOM 1070 O ASP A 108 34.417 -0.266 -4.122 1.00 0.00 O ATOM 1071 CB ASP A 108 32.283 -2.885 -5.186 1.00 0.00 C ATOM 1072 CG ASP A 108 33.147 -4.022 -4.652 1.00 0.00 C ATOM 1073 OD1 ASP A 108 32.848 -4.512 -3.576 1.00 0.00 O ATOM 1074 OD2 ASP A 108 34.095 -4.386 -5.327 1.00 0.00 O ATOM 0 H ASP A 108 32.066 -0.443 -6.028 1.00 0.00 H new ATOM 0 HA ASP A 108 32.018 -1.744 -3.379 1.00 0.00 H new ATOM 0 HB2 ASP A 108 31.232 -3.172 -5.158 1.00 0.00 H new ATOM 0 HB3 ASP A 108 32.532 -2.687 -6.229 1.00 0.00 H new TER 1079 ASP A 108